#DEFINITION	Reference Metabolome for Ginkgo biloba
#IDENTTFIER	RefMeta-Ginkgo biloba.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Ginkgo biloba
#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 Ginkgo biloba 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	1000.729
Annotation	Unknow
Peak:m/z	Relative Intensity
70.18846	6.8
71.66236	6.3
71.68376	6.4
72.87186	6.8
79.05485	38.1
81.07043	100.0
83.08123	6.5
83.08585	16.8
91.05477	28.4
93.07026	47.6
95.04988	8.2
95.08585	85.6
103.89817	7.6
105.07026	18.8
107.08584	30.0
109.10149	46.7
111.08075	10.7
111.77972	7.3
119.08554	14.8
121.10146	28.9
123.11730	15.6
131.08568	12.5
133.10136	25.9
135.11681	30.7
139.50874	8.4
145.10121	17.2
215.18031	8.5
233.19052	16.3
235.20680	9.8
251.19980	21.7
325.23743	18.6
417.32895	9.7
417.68015	8.4
485.39975	39.3
495.65872	10.3
503.40759	32.4
559.43500	13.2
577.44482	39.3
622.43109	11.1
782.32898	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	1000.7286
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05483	38.0
81.07053	100.0
83.08616	20.4
87.41688	5.2
91.05466	34.8
93.07043	40.9
93.07532	7.3
95.04946	9.4
95.08597	73.7
97.06536	15.1
97.10176	9.5
105.07025	21.7
107.08591	21.3
109.10166	26.6
116.95375	7.1
119.08557	10.7
121.10110	27.6
123.11712	10.6
131.08565	10.2
133.10126	19.2
135.11670	16.3
149.13203	9.5
154.27138	6.0
161.54443	5.6
176.97615	6.3
233.18964	7.4
243.87123	5.8
309.24496	7.5
325.23654	20.6
426.64774	6.1
559.43372	33.3
575.43103	39.3
577.44476	27.4
809.62720	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	1000.7282
Annotation	Unknow
Peak:m/z	Relative Intensity
72.25936	7.5
79.05477	28.9
79.61234	7.8
81.07051	93.3
83.08597	13.6
91.05470	29.9
92.52286	8.8
93.07030	44.7
95.08606	100.0
105.07006	15.1
107.08556	24.8
109.10136	39.4
119.08575	16.4
121.10136	42.8
123.11735	10.3
133.10149	25.7
135.11708	29.1
215.17966	9.2
257.75037	10.3
268.45291	10.0
274.22131	11.2
325.23776	14.3
485.40067	22.3
503.40793	25.8
559.43732	13.3
576.87946	9.4
577.44476	34.9
640.45026	13.1
665.44916	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	1000.729
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04967	4.1
71.10849	1.5
76.58137	1.5
79.05483	29.7
81.07049	100.0
82.07375	1.6
83.04997	1.9
83.08607	23.6
85.06514	4.2
91.05473	37.1
91.71687	3.4
93.07034	45.4
95.04975	4.3
95.08600	84.2
96.35851	1.6
97.06521	9.6
97.10172	14.8
97.62796	1.5
99.08079	3.2
105.07028	13.6
107.08591	28.6
109.10159	40.0
111.08070	7.4
117.05476	2.3
119.08575	10.6
121.10146	36.4
123.11703	7.9
125.09623	2.6
126.76707	1.8
131.08554	8.6
133.10107	21.9
135.11696	25.5
137.13261	3.0
139.11174	2.8
139.15457	1.8
145.10130	4.9
147.11684	10.9
149.13264	5.6
151.11171	6.0
159.11653	4.1
161.13277	4.4
173.13315	4.3
187.14799	1.7
199.84451	1.7
207.81693	1.6
215.18016	6.3
217.19618	3.4
233.19014	8.8
235.20505	2.4
251.20023	17.4
253.21486	3.9
267.95319	1.9
307.22641	7.8
309.24164	22.2
325.23669	40.1
327.25305	5.8
367.24796	6.6
369.25964	3.1
385.25885	3.2
424.92206	2.2
485.40070	3.0
503.41260	2.7
557.41913	4.2
559.43524	19.3
575.43036	16.8
576.43549	2.4
577.44525	38.9
619.45416	3.2
635.44568	5.1
637.46552	8.7
827.63599	4.5
905.66406	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	1000.7279
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04990	3.5
79.05486	33.2
81.07047	100.0
83.04996	3.3
83.08610	22.9
85.06547	3.3
86.33466	1.6
91.05477	35.0
93.07036	52.0
94.41030	1.5
95.04974	5.3
95.08597	86.8
96.08956	2.1
97.06531	11.8
97.10159	10.6
99.08108	3.3
105.07014	21.1
107.08590	31.9
109.10153	34.7
111.08092	7.6
111.11691	1.7
117.07032	4.2
119.07842	2.6
119.08553	13.0
121.10139	38.2
123.08073	2.9
123.11699	13.1
125.09557	2.3
131.08597	10.2
133.10120	24.4
135.08087	1.7
135.11690	24.4
137.09598	3.0
137.13354	2.2
145.10069	7.8
147.11682	8.5
149.13271	7.9
151.11162	6.4
157.00674	1.7
159.11711	5.8
161.13249	2.3
165.12773	1.7
173.13269	5.3
203.12671	2.1
215.18083	7.5
217.19682	2.8
233.19023	6.6
251.20122	10.2
264.24936	2.0
307.22693	6.8
309.24133	2.2
325.23770	21.3
367.24582	7.8
385.25879	5.2
467.38727	3.0
485.39749	8.3
503.40912	7.2
559.43085	4.1
575.42999	3.7
576.43701	2.7
577.44501	18.3
619.45502	5.7
637.46899	2.7
723.33429	2.0
809.62360	7.2
827.63910	53.6
828.64618	2.6
887.65515	17.0
947.67242	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	1001.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
71.44834	1.3
102.91266	1.4
105.54156	1.2
122.06016	1.6
156.27995	1.6
200.09375	1.9
202.07385	4.2
215.11839	4.6
217.09758	6.2
227.08215	3.9
228.08908	8.1
233.09262	4.4
243.11223	9.8
259.10712	7.3
261.08694	77.3
262.09128	2.0
287.10239	100.0
287.41861	1.6
288.10559	3.2
398.17047	24.0
408.19098	4.4
424.18582	32.8
438.20303	2.4
529.77295	2.0
563.28723	2.5
575.28802	9.8
593.29578	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	1002.7446
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05077	3.0
79.05479	22.5
81.06601	5.7
81.07053	99.4
83.04897	3.5
83.08605	32.2
91.05469	24.1
93.07033	43.6
93.19761	3.4
95.08601	100.0
97.06541	12.3
97.10149	27.0
105.07023	11.6
107.08585	25.1
109.10136	39.1
111.08067	7.1
111.11709	5.4
117.05565	4.7
119.08596	14.8
121.10105	38.4
123.11681	13.7
125.13194	4.5
127.89034	4.0
131.08484	4.6
133.10123	19.8
135.11729	25.7
137.09575	5.3
137.13330	3.5
145.10161	5.1
147.11694	14.2
148.87959	3.8
148.99675	4.0
149.13260	9.0
161.13252	6.6
217.19530	7.4
232.27637	3.8
233.19078	6.2
235.20605	8.9
251.20145	8.3
253.21753	8.6
253.87340	4.5
255.09619	4.6
271.22620	5.7
281.28162	5.1
309.24158	34.6
325.23758	20.9
327.25317	40.8
362.95236	4.6
365.72049	5.4
369.26279	7.1
439.30420	4.4
559.43512	10.9
561.45319	6.4
577.44830	20.6
579.46100	14.8
637.46863	5.9
639.48151	5.3
771.64539	4.1
950.00739	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	1002.7442
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04986	4.5
79.05482	26.9
81.07048	100.0
83.04955	3.6
83.08620	24.8
85.06525	5.3
91.05476	31.4
93.06445	1.7
93.07031	51.3
95.04966	6.2
95.08597	90.3
97.06538	7.5
97.10172	13.9
99.08081	5.5
105.07039	16.8
107.08590	25.7
109.10158	36.4
111.08101	6.7
111.11698	3.1
117.05500	4.3
117.07017	2.3
119.08593	16.1
121.10138	28.6
123.11729	13.3
125.09634	3.0
131.08562	6.0
133.10126	22.2
135.11703	21.3
137.13249	2.6
138.79073	1.8
139.11250	2.2
145.10095	6.6
147.11707	6.7
149.13269	5.7
151.11188	5.6
159.11748	3.0
161.13283	3.3
165.12848	2.4
173.13374	3.6
175.14815	2.7
215.17938	2.5
217.19475	5.5
233.18954	5.8
235.20464	6.5
250.52681	2.4
251.20084	4.7
289.95398	2.3
301.12787	2.5
307.22549	2.5
309.24210	20.2
325.23807	14.7
327.25217	14.8
369.26730	3.5
387.27222	2.6
485.39731	4.9
503.40814	5.5
505.42712	2.6
559.43811	4.3
561.45020	7.2
577.44653	15.3
579.46399	4.6
619.45239	3.5
637.46442	4.4
811.64417	13.8
829.65375	38.8
871.66040	2.8
884.03735	2.6
889.67334	10.4
927.05573	2.8
949.68896	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	1003.6691
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05477	1.8
81.07036	7.9
83.08617	1.5
91.05494	2.8
92.26585	0.7
93.07042	3.5
94.28397	0.6
95.08594	6.3
97.06541	1.0
105.07039	1.4
107.08600	1.9
109.10178	2.5
111.08077	0.7
114.12040	0.6
119.08598	1.0
121.10180	2.8
123.11821	1.0
131.08632	1.1
132.05984	0.6
133.10158	1.3
135.11716	2.1
147.11734	0.8
157.22293	0.6
291.19263	13.7
325.24023	0.9
347.21921	7.1
351.21393	11.4
351.25159	0.8
407.24243	1.1
559.39807	2.8
615.42444	7.8
619.42041	2.2
675.44489	4.1
882.30231	0.9
943.64557	2.0
1003.66852	100.0
1004.66937	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	1003.6691
Annotation	Unknow
Peak:m/z	Relative Intensity
70.49047	7.9
71.51133	7.4
80.72153	8.7
86.90325	8.8
95.40174	9.5
227.81564	12.4
251.04590	9.2
351.21161	11.7
419.57983	11.3
510.30011	10.4
615.42401	22.9
1003.67188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
75.29887	2.9
76.01819	5.5
76.02220	69.0
76.02625	7.1
79.05482	13.0
81.03406	63.0
81.07039	17.8
84.04502	19.9
85.04031	3.2
86.62431	3.3
91.05479	13.9
93.07026	13.3
95.04959	3.6
95.08586	15.2
105.07057	4.5
107.98556	3.4
109.10146	5.6
115.44905	3.6
116.01685	18.4
119.08589	14.7
119.91792	3.1
121.10145	9.9
130.05000	9.6
133.85133	4.1
135.11676	4.5
137.09627	7.4
144.01172	11.3
150.85748	3.5
162.02196	33.8
165.09105	6.4
168.45227	3.5
179.04839	55.6
186.98088	3.9
187.05264	4.4
233.05919	16.3
239.12814	20.0
247.51834	3.9
308.09055	100.0
316.41220	4.8
335.25739	15.5
381.89310	4.7
499.33688	7.7
945.73853	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	1004.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
76.02221	73.3
76.03976	4.0
79.05484	16.7
81.03410	38.3
81.07050	19.4
83.04965	2.3
83.06088	1.9
83.08611	9.3
84.04499	20.3
85.02885	2.9
86.99039	4.0
91.05477	20.1
93.07038	21.9
95.04951	17.6
95.08598	14.4
95.49227	1.5
97.02876	2.9
100.02223	3.4
103.05431	1.7
105.07023	14.8
107.04941	3.1
107.08596	10.4
109.06504	2.6
109.10148	4.7
111.08058	3.7
116.01658	19.8
117.07047	2.9
119.08563	9.9
121.10130	12.9
123.11676	2.3
125.09673	2.2
129.06950	5.0
130.04985	11.0
131.08569	7.7
133.10107	4.2
134.67943	2.0
135.11690	6.8
142.03212	7.4
144.01115	8.7
145.10152	3.9
147.11685	5.3
149.09631	2.2
149.13254	4.5
157.10144	3.2
159.11679	2.2
162.02184	37.0
164.20273	2.2
170.02774	3.8
173.13419	2.3
175.11227	2.9
177.03297	3.9
179.04857	54.2
187.05382	3.0
193.12206	5.2
203.57835	2.0
215.04807	2.6
215.18007	7.1
215.46327	2.1
227.06366	1.8
233.05823	13.9
233.19009	5.9
245.05864	4.0
267.15863	24.6
302.90366	2.1
304.52728	2.3
307.22577	21.1
308.09079	100.0
346.40967	2.0
383.52505	2.0
402.80066	2.2
499.34198	10.2
517.35101	6.6
688.51404	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	1004.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
75.29887	2.9
76.01819	5.5
76.02220	69.0
76.02625	7.1
79.05482	13.0
81.03406	63.0
81.07039	17.8
84.04502	19.9
85.04031	3.2
86.62431	3.3
91.05479	13.9
93.07026	13.3
95.04959	3.6
95.08586	15.2
105.07057	4.5
107.98556	3.4
109.10146	5.6
115.44905	3.6
116.01685	18.4
119.08589	14.7
119.91792	3.1
121.10145	9.9
130.05000	9.6
133.85133	4.1
135.11676	4.5
137.09627	7.4
144.01172	11.3
150.85748	3.5
162.02196	33.8
165.09105	6.4
168.45227	3.5
179.04839	55.6
186.98088	3.9
187.05264	4.4
233.05919	16.3
239.12814	20.0
247.51834	3.9
308.09055	100.0
316.41220	4.8
335.25739	15.5
381.89310	4.7
499.33688	7.7
945.73853	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	1004.7598
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05479	13.3
80.65986	9.0
81.07050	100.0
83.08607	29.8
91.05479	29.9
93.07031	32.7
95.04977	10.4
95.08602	90.2
97.06551	14.5
97.10181	17.1
105.07031	22.0
107.08604	22.8
109.10153	55.0
119.08592	14.5
120.97479	8.9
121.10147	30.0
133.10172	18.8
135.11728	15.3
206.04071	10.3
238.25920	14.3
242.46471	11.5
306.41559	11.4
309.24338	36.8
327.25311	41.9
354.57770	11.9
387.27170	19.9
469.40668	13.6
526.42749	13.2
542.35333	10.5
551.36237	12.1
561.45062	24.8
579.46204	28.3
583.17657	16.1
756.32086	11.7
831.66223	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	1005.6843
Annotation	Unknow
Peak:m/z	Relative Intensity
70.07508	0.8
72.44778	0.9
75.33939	0.8
79.05473	2.1
81.07040	5.6
83.08625	1.8
83.60985	0.8
91.05501	2.3
93.07051	2.8
94.04492	0.8
95.08627	4.3
105.06989	1.0
105.48790	1.0
107.08594	1.9
109.10178	2.3
121.10168	1.3
133.10223	1.3
254.64928	1.0
291.19308	12.8
293.21088	2.1
347.21951	4.7
349.23297	1.0
351.21442	8.6
353.22992	2.0
535.70483	1.1
559.39819	2.6
561.41235	1.2
615.42572	2.5
617.43652	4.8
675.44550	1.7
677.46088	2.3
945.66589	2.3
1005.68457	100.0
1006.68988	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	1005.6841
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26347	2.7
76.07487	2.7
79.05476	6.8
81.07053	25.3
83.08601	5.4
91.71049	8.0
93.07038	7.1
95.08592	16.2
96.23901	2.5
107.08601	6.2
107.33826	2.8
111.94695	2.9
113.58720	3.7
117.20938	2.6
121.10171	4.3
133.10175	3.7
138.71480	2.9
139.79749	3.3
164.09705	3.7
186.91194	3.3
217.50020	3.7
265.85593	3.5
291.19232	7.4
483.54489	4.1
488.44159	4.3
617.44080	5.2
675.44678	4.3
1005.48425	5.7
1005.68390	100.0
1006.67743	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	1005.6847
Annotation	Unknow
Peak:m/z	Relative Intensity
91.97269	5.9
141.87981	5.9
168.00107	6.7
274.81976	6.6
300.24771	7.2
319.82150	7.2
365.22742	7.3
412.34879	7.7
543.40118	8.6
617.43927	13.6
675.50183	7.2
813.94061	8.8
1005.68243	100.0
1006.67700	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	1007.7
Annotation	Unknow
Peak:m/z	Relative Intensity
72.92107	1.8
74.07806	1.6
75.52568	1.6
75.54775	1.7
79.05502	2.3
80.79665	1.9
81.07085	3.5
93.07079	2.0
95.08631	4.3
105.07070	2.0
194.26427	2.2
215.76553	2.4
226.98181	2.3
291.19482	2.8
382.33844	2.5
436.83948	2.5
561.40857	5.5
757.76794	2.7
872.67200	2.8
887.66449	4.5
1007.69830	100.0
1008.70435	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	1007.6997
Annotation	Unknow
Peak:m/z	Relative Intensity
72.83260	3.0
78.25900	3.3
81.07042	4.7
91.71628	7.2
95.08565	4.6
201.16566	3.9
333.73679	4.4
353.22897	3.7
359.05099	4.5
617.43579	10.5
677.45740	4.5
974.17145	4.7
1007.70306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.7155
Annotation	Unknow
Peak:m/z	Relative Intensity
74.87273	5.0
95.08585	6.5
102.18645	5.8
109.33851	5.1
127.18658	5.9
137.97197	6.6
293.20868	14.3
353.22897	8.0
450.46280	6.4
619.44818	14.1
629.03162	6.5
1009.71588	100.0
1010.69635	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	1009.715
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07063	6.7
95.08631	4.5
121.86697	4.5
212.57001	6.3
474.41165	6.0
563.42682	10.4
568.82501	6.1
619.45447	10.6
673.81061	6.6
832.02722	6.6
930.68823	7.1
966.51691	6.7
1009.71582	100.0
1041.72644	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	1014.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
77.45834	2.0
78.10393	2.1
79.05462	2.7
88.29093	2.0
91.05459	15.7
94.04182	8.2
95.04959	4.4
103.05466	32.5
115.05411	3.6
119.04954	15.6
122.03667	11.1
129.07002	3.2
131.04916	46.4
133.02823	5.6
137.05969	100.0
145.06529	5.4
147.04422	14.3
149.05986	4.6
151.03882	8.3
151.07541	13.5
157.06531	4.0
163.07520	17.7
175.07542	5.3
179.07071	6.7
187.07570	14.8
189.09113	7.6
201.09155	4.5
205.08580	7.5
217.08598	6.9
263.10593	2.8
273.11526	2.8
287.50134	2.7
299.10645	2.5
307.09781	2.9
333.11255	3.3
461.13873	3.4
528.31494	2.7
537.19397	3.9
539.20496	3.9
541.11676	3.3
555.19769	4.3
687.26447	5.0
721.26965	3.2
747.27557	4.7
777.29468	4.9
795.29535	3.9
813.30701	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	1014.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05470	10.8
94.04184	6.5
94.53718	2.0
95.05016	3.1
95.09804	2.2
103.05463	22.7
104.81218	2.2
115.05386	3.1
117.07029	3.3
119.04939	9.4
122.03660	14.9
129.07066	4.9
131.04915	35.4
137.05975	100.0
141.07018	2.6
145.06505	5.2
147.04419	8.4
148.08293	2.7
149.05975	4.4
151.03917	2.6
151.07545	9.7
157.06406	3.1
161.06038	2.7
163.07565	7.9
166.12283	3.7
167.07039	3.1
172.05226	2.3
175.07520	3.9
177.09132	2.7
179.06981	3.5
181.18126	2.4
187.07507	12.8
189.09076	3.3
201.09048	7.1
205.08611	3.9
217.08574	3.8
277.08563	3.8
291.09946	2.9
315.10336	3.7
338.12054	2.8
367.15228	3.7
379.15598	4.6
455.40891	2.6
555.18817	2.9
687.25208	5.4
735.26660	2.8
774.78735	3.0
795.29437	4.4
1008.38367	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	1016.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
70.88493	4.6
91.05434	11.7
91.08797	6.1
91.71008	8.0
94.04163	6.8
100.32898	5.8
103.05439	9.2
129.06969	11.9
131.04916	11.1
131.08577	10.5
133.02867	20.5
137.05975	87.3
141.06969	11.0
146.07249	7.2
147.04358	9.1
151.07593	8.3
159.08080	9.7
174.06746	14.0
186.06825	6.9
187.07545	14.6
189.09122	26.7
201.09135	13.1
210.06564	6.1
213.09152	8.7
219.08070	8.0
219.10141	100.0
221.06114	5.6
245.05832	6.3
261.08966	7.7
273.11578	6.8
291.09964	6.8
367.15500	24.9
379.15366	10.6
397.16357	47.1
435.17880	8.1
558.72522	7.8
733.55316	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	1019.6422
Annotation	Unknow
Peak:m/z	Relative Intensity
71.60239	1.4
98.52354	1.3
112.26737	1.5
128.80141	1.6
347.14398	1.7
411.08002	1.9
481.44159	2.1
494.18338	1.7
501.30032	1.8
790.61707	2.2
925.66937	2.0
1019.64233	100.0
1020.64941	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	1019.6424
Annotation	Unknow
Peak:m/z	Relative Intensity
75.28336	4.1
77.05509	4.0
79.14828	3.9
88.06856	3.9
89.58302	4.2
95.77263	4.1
99.81243	4.4
146.45282	5.3
150.19635	5.2
165.05965	5.0
202.06810	4.5
216.90598	4.4
361.59064	6.2
416.40347	4.9
458.02951	5.0
563.81140	6.2
842.84979	5.6
1019.64575	100.0
1022.71991	6.8
1050.18933	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	1019.6636
Annotation	Unknow
Peak:m/z	Relative Intensity
79.76304	5.3
81.07031	9.0
95.08621	5.4
149.12358	5.8
156.36252	5.9
234.70012	7.0
266.37842	6.7
307.18835	7.0
376.61627	6.0
591.78796	6.2
631.42126	12.0
756.22675	7.7
934.74542	7.3
944.73895	6.7
1019.66119	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.6567
Annotation	Unknow
Peak:m/z	Relative Intensity
88.02297	5.1
159.78586	4.9
263.58490	5.7
380.32678	7.6
756.28351	8.2
1021.65833	100.0
1022.65967	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	1021.6567
Annotation	Unknow
Peak:m/z	Relative Intensity
88.02297	5.1
159.78586	4.9
263.58490	5.7
380.32678	7.6
756.28351	8.2
1021.65833	100.0
1022.65967	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	1023.6735
Annotation	Unknow
Peak:m/z	Relative Intensity
77.41953	6.7
78.82726	6.9
80.60954	8.8
81.80890	6.4
91.71015	19.6
102.98071	8.2
111.93165	9.5
118.72349	8.4
185.40636	8.8
237.61427	9.0
426.09668	9.1
783.80865	9.9
1023.67371	100.0
1024.66980	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.1
53.03745	0.5
53.03939	6.2
56.96561	3.5
57.03418	1.2
58.06577	1.8
59.06105	0.6
60.02117	1.1
60.08124	0.5
69.03428	0.6
69.91383	0.6
71.16405	0.6
77.03902	3.6
81.03427	0.7
85.02898	1.2
86.03228	2.0
86.06042	2.8
87.04419	1.1
88.01579	0.7
95.04959	44.3
96.05254	0.6
102.04669	3.0
103.04035	3.4
103.05457	100.0
104.10748	0.8
105.04501	7.5
118.06548	7.4
120.71880	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
73.22388	2.8
76.42073	2.9
91.05478	7.7
94.04198	7.4
95.04947	4.6
103.05457	39.0
107.04857	5.0
113.58871	3.7
119.04956	7.1
121.06495	6.3
122.03661	13.8
128.06198	5.7
129.06981	5.4
131.04921	68.0
137.05959	100.0
147.04332	8.7
149.05942	4.3
151.03905	6.9
151.07518	5.9
163.07542	13.3
176.72720	3.4
187.07507	26.4
189.09062	5.4
201.09044	3.5
217.08626	10.0
265.08691	4.3
277.08591	5.4
278.03851	4.8
297.11108	5.0
303.10193	4.0
307.09918	4.4
351.12271	3.8
359.24954	4.0
423.12732	4.3
470.70886	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	1030.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
71.61927	3.0
84.79057	3.7
91.05461	13.0
94.04192	11.7
95.04964	6.6
103.05463	56.7
105.06982	3.9
115.05405	4.6
119.04955	11.4
122.03628	9.1
124.57965	3.9
128.06203	5.0
129.07007	8.7
131.04919	91.6
137.05962	100.0
137.06950	6.9
147.04378	8.8
151.03911	5.9
151.07545	9.8
163.07506	25.8
172.05086	5.3
174.06689	6.9
175.07524	5.4
179.06972	6.9
187.07562	31.5
189.09065	11.8
201.09180	5.0
205.08672	4.4
217.08594	14.3
293.08313	4.6
321.11041	4.3
463.15915	4.6
579.19482	5.0
697.71924	4.9
776.76801	4.7
1040.01331	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	104.071
Annotation	3-Aminobutanoic acid
Peak:m/z	Relative Intensity
53.00314	0.2
53.30297	0.1
55.32962	0.2
56.05025	0.8
57.91900	0.2
58.02968	0.2
58.06593	34.1
59.07374	0.6
60.08156	27.3
61.01141	0.9
68.05024	1.1
69.03420	12.2
72.08148	0.7
74.06059	0.2
86.06060	8.8
87.04459	30.8
104.07111	5.1
104.10735	100.0
105.11021	0.3
117.29914	0.2
123.13762	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42815	0.1
58.06585	2.9
59.07370	0.8
59.28897	0.1
59.97672	0.1
60.08153	24.8
60.18465	0.1
61.27849	0.1
64.03768	0.1
68.05025	0.1
69.03413	1.3
69.44830	0.1
85.04486	0.1
86.06046	1.0
86.09710	0.2
87.04460	3.8
100.02482	0.1
104.10730	100.0
105.11067	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Choline
Peak:m/z	Relative Intensity
58.06586	2.8
59.07373	0.6
60.08154	26.0
64.12630	0.1
98.22777	0.1
104.10730	100.0
105.11016	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78170	0.1
52.30092	0.1
55.58004	0.1
56.13523	0.1
58.06589	3.1
58.06878	0.2
59.07372	0.9
60.08155	24.6
69.03416	0.3
86.06081	0.2
87.04451	0.9
98.77703	0.1
104.10734	100.0
105.11056	0.4
108.51805	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	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99062	0.1
53.79690	0.1
58.06589	3.8
58.06874	0.2
59.07375	0.7
59.22401	0.1
60.08154	27.6
68.05006	0.1
69.03416	2.1
69.03769	0.1
86.06051	1.3
86.09690	0.2
87.04456	4.8
87.75201	0.1
104.10732	100.0
105.11057	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	5.8
59.07375	0.7
60.08156	25.2
60.95836	0.2
68.05026	0.3
69.03416	1.3
70.09668	0.1
71.23108	0.2
86.06052	1.2
87.04459	4.1
91.71017	0.2
97.53938	0.2
104.07122	0.7
104.10736	100.0
105.11061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1040.7242
Annotation	Unknow
Peak:m/z	Relative Intensity
74.61203	2.8
79.05496	26.7
81.07043	92.5
82.09252	2.9
83.08599	12.1
91.05468	28.4
91.71645	6.7
93.07037	39.0
94.02430	3.0
95.04935	4.3
95.08595	65.6
95.09161	5.8
97.10181	6.8
105.07033	11.5
107.08597	22.1
109.10152	29.6
119.08585	10.3
121.10114	20.5
123.11718	10.0
125.19548	3.1
131.08556	9.4
133.10121	15.8
135.11658	17.6
145.10124	5.1
149.13261	5.3
159.11696	6.1
215.17986	5.9
263.88135	3.5
307.22900	4.4
367.24872	6.4
539.40924	5.1
557.41876	25.4
575.43018	100.0
635.44824	13.1
658.36438	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	1042.7391
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05482	36.0
80.52878	2.9
81.07047	100.0
83.04975	3.5
83.08612	25.3
89.22424	2.2
91.05473	37.6
91.71766	5.6
93.07031	49.1
93.61153	2.3
95.04969	5.8
95.08597	87.6
97.06537	8.4
97.10143	12.7
105.07030	17.9
107.08578	26.7
109.06483	2.6
109.10142	34.0
111.08081	7.7
117.06968	3.9
118.06525	3.1
119.08572	13.2
121.10137	38.2
123.11706	11.5
125.09565	3.5
131.08557	9.2
133.10126	21.3
134.12570	2.7
135.11656	20.6
137.09541	3.4
137.13283	3.0
145.10141	7.2
146.93568	2.8
147.11670	6.3
149.13266	5.3
151.11200	4.9
173.13139	3.1
199.19734	2.8
215.18016	3.5
217.19533	3.6
233.19012	5.1
251.20058	7.6
307.22784	6.9
309.24255	10.5
325.23685	17.7
476.95184	2.9
541.42267	6.8
557.41876	11.4
559.43622	45.3
575.43066	36.8
577.44629	24.7
619.45795	3.8
635.45044	7.8
637.46259	5.5
699.65985	2.7
791.62231	3.1
809.62177	9.4
827.64215	14.3
864.30151	3.1
873.82855	3.0
1016.85516	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	1042.7397
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05466	28.0
81.07048	100.0
83.08597	25.1
91.05474	39.4
91.71644	24.6
93.00642	14.1
93.07035	44.3
95.08594	93.5
97.06548	13.4
102.07483	11.1
105.07044	16.2
107.08591	27.8
109.10139	33.3
119.08579	20.8
121.10102	32.9
123.11691	14.7
131.08524	11.9
133.10095	30.4
135.11674	21.5
157.68724	13.5
203.78381	13.1
222.35992	12.4
222.76122	14.1
234.08255	12.8
276.85663	12.3
325.23782	38.6
385.25632	16.1
455.82672	17.0
485.39838	16.5
524.71613	14.4
551.81152	16.9
559.43536	15.1
644.23700	14.4
688.24731	18.3
756.29156	17.1
790.18835	14.0
827.63367	60.6
961.96075	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	1044.7552
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05481	30.6
81.07046	100.0
83.04955	2.9
83.08606	20.2
85.06504	1.9
91.05466	34.4
91.71095	7.9
91.71725	2.9
93.06557	1.6
93.07033	46.6
95.04955	7.8
95.08597	83.6
97.06517	8.7
97.10178	14.2
99.08054	2.5
105.07013	19.4
107.08586	26.3
109.06505	3.1
109.10139	38.3
109.67751	1.6
111.08080	7.8
111.11703	3.1
117.05472	4.9
117.07006	4.2
119.08569	14.0
121.10141	36.6
123.08029	2.3
123.11680	8.4
125.09660	2.6
131.08530	8.2
133.10132	21.8
135.11678	26.2
137.09619	3.7
137.13249	2.1
139.11160	2.0
145.10098	5.0
147.11650	9.2
149.13249	6.7
151.11150	3.2
159.11682	4.9
161.13245	6.6
165.12717	2.4
173.13254	3.1
187.14946	3.1
215.17917	2.5
217.19435	2.9
233.19133	4.2
235.20633	5.7
251.19946	4.3
253.21465	3.2
307.22809	3.0
309.24136	20.7
325.23706	5.8
327.25272	15.9
369.26123	5.1
467.38809	3.4
485.39804	7.2
487.41318	4.9
503.41025	6.7
559.43488	7.2
561.44769	5.2
577.44531	18.2
619.45770	4.6
637.46680	5.8
737.60529	3.0
811.64966	17.9
829.65485	35.0
871.66290	3.6
889.67175	13.0
949.69171	5.9
973.32629	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	1045.6794
Annotation	Norlyngbyastatin 2
Peak:m/z	Relative Intensity
79.05490	5.8
81.07037	16.9
91.05490	7.2
93.07024	9.3
95.08588	12.1
105.07011	3.6
107.08614	2.1
109.10173	3.4
121.10155	6.0
133.10109	3.0
135.11755	2.3
150.77553	2.2
176.84964	2.0
223.25056	2.1
291.19482	5.3
293.01318	2.1
351.21600	7.5
472.88513	2.4
475.61969	2.2
597.41016	10.5
657.43018	4.1
717.45587	4.4
926.68463	3.0
1045.67651	100.0
1046.67322	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	1046.7705
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05492	21.0
81.06596	7.1
81.07050	100.0
83.08605	28.4
88.44133	3.0
91.05486	28.1
93.07039	44.5
95.08599	92.2
97.06515	8.0
97.10172	21.4
97.68545	3.2
98.87499	3.8
99.08146	3.1
105.07042	19.1
107.08582	21.3
109.10156	43.9
111.08089	4.5
111.11726	7.1
117.05512	5.0
119.08546	17.1
120.80487	3.7
121.10146	32.7
123.11710	12.1
125.09617	3.6
129.91547	3.7
131.08525	5.8
133.10124	22.5
135.11696	36.1
137.09601	5.9
139.11182	6.3
147.11671	12.7
149.13219	7.4
151.11194	5.1
158.82469	3.5
161.13255	7.9
173.13266	3.6
188.02974	4.0
192.82361	3.6
217.19572	10.5
235.20589	13.2
309.24258	25.8
327.25223	54.2
369.26346	8.9
387.27249	6.9
400.79312	3.9
469.40100	5.5
487.41437	18.9
505.42285	13.3
561.44629	20.3
579.46057	30.1
639.12604	6.0
813.65521	13.6
831.66986	41.1
891.68420	13.4
951.70105	6.7
967.20239	5.0
1047.67908	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	1047.6946
Annotation	Unknow
Peak:m/z	Relative Intensity
73.13486	3.7
73.74839	3.6
79.05463	6.4
81.07048	18.6
91.05462	5.9
93.07038	7.3
93.74263	4.3
95.08580	11.9
114.01431	4.2
152.20079	4.3
180.90468	4.1
200.76613	5.4
245.19821	5.4
282.86942	4.8
314.25342	4.8
553.53339	4.4
632.68304	6.3
780.14673	5.4
1047.69336	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.6951
Annotation	Unknow
Peak:m/z	Relative Intensity
78.25924	1.5
80.32342	1.7
81.07068	4.0
83.08623	2.1
91.05518	2.9
93.07059	2.0
95.08641	4.3
109.10158	2.5
114.85307	1.9
120.13257	1.9
121.10177	2.4
122.41168	1.7
157.18442	2.2
194.54388	1.6
397.69955	1.9
543.40625	8.0
596.58594	2.2
599.43243	5.3
603.42633	2.2
867.63623	6.0
987.68060	5.0
1047.69482	100.0
1048.69507	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	1049.7107
Annotation	Unknow
Peak:m/z	Relative Intensity
73.11390	1.3
75.96346	1.1
79.05500	2.8
81.07058	4.1
83.08617	1.6
93.07059	2.6
95.08626	4.9
101.49986	1.4
107.08562	1.8
109.10197	1.6
162.49652	1.4
191.03027	1.5
210.61922	1.6
248.40216	1.7
356.17377	1.7
410.30789	1.9
543.40137	7.3
553.88196	2.0
599.43524	4.8
601.44379	2.5
869.65051	4.7
989.68958	2.5
1049.71008	100.0
1050.70593	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01582	0.3
51.02374	0.5
53.03945	1.8
54.00433	0.2
56.96553	0.7
58.06586	0.8
59.06270	0.2
59.06929	2.3
60.04517	0.7
60.08147	0.5
60.95865	0.2
61.08493	1.0
64.82322	0.2
67.05463	0.2
70.03761	0.6
77.03928	1.9
79.05486	17.6
81.03408	0.3
87.06402	0.2
88.04780	1.5
95.04961	16.4
103.05463	21.9
105.04530	3.5
105.07023	100.0
105.11061	6.0
106.07333	0.3
118.06532	3.2
122.85912	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	1051.726
Annotation	Unknow
Peak:m/z	Relative Intensity
77.39369	1.9
81.07082	3.2
82.65792	1.5
93.07053	1.9
95.08618	2.5
130.38348	1.8
187.88715	2.2
385.94385	2.4
545.41968	7.5
545.49445	2.3
601.44672	5.3
639.92834	2.5
823.01086	2.3
850.14301	2.6
871.66400	3.3
931.67303	2.5
1051.72559	100.0
1052.73425	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	1061.6531
Annotation	Unknow
Peak:m/z	Relative Intensity
91.71608	6.3
95.19173	2.9
108.75709	3.4
134.54922	2.9
149.04047	3.7
231.25645	3.8
244.38966	3.3
317.81030	3.7
396.39108	3.4
465.72107	3.6
1061.65308	100.0
1062.65588	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	1063.6688
Annotation	Unknow
Peak:m/z	Relative Intensity
83.82628	3.7
125.45467	4.7
169.41611	3.8
224.03641	4.8
378.48199	5.5
469.26721	5.2
1063.66821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.6846
Annotation	Unknow
Peak:m/z	Relative Intensity
103.15323	16.3
104.70235	17.1
150.44572	15.8
238.69312	19.2
283.77570	18.2
285.93207	16.4
337.71454	18.3
363.35532	20.4
935.91425	20.2
1065.67712	100.0
1083.36401	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	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.50518	0.1
51.02370	0.4
53.03935	1.6
55.01851	0.6
63.12958	0.1
77.03899	1.7
79.05480	7.5
81.03393	0.6
86.42591	0.1
88.02565	0.2
95.04952	13.6
105.04501	2.2
107.04939	100.0
108.05260	0.6
118.06528	2.4
119.90643	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03946	0.6
63.92688	0.5
65.03929	11.4
67.05492	0.9
77.03894	0.7
79.05487	11.6
80.48285	0.6
88.21928	0.5
91.05470	100.0
92.05747	0.6
92.06252	2.8
95.04952	7.0
95.52384	0.6
103.05463	0.7
105.04548	1.4
105.07021	36.7
106.06535	0.7
107.04179	0.7
107.04948	42.9
107.08585	75.0
109.06506	30.6
118.06520	0.9
119.06065	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03929	2.2
55.01852	1.4
56.01382	0.4
64.36933	0.4
65.03929	7.5
67.05485	1.2
71.18147	0.4
77.03896	1.7
79.05481	12.6
85.59724	0.5
89.78278	0.5
91.05472	52.0
92.06277	1.2
95.04961	15.9
105.04514	2.5
105.07026	18.8
107.04946	100.0
107.08588	36.7
108.05269	1.0
109.06509	13.0
118.06512	2.6
119.06074	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	1070.7471
Annotation	Unknow
Peak:m/z	Relative Intensity
80.88833	3.4
86.09694	100.0
86.73850	3.1
90.65078	2.9
91.71103	5.5
101.07168	3.2
110.09667	3.6
120.08093	36.3
128.10709	5.6
155.11821	6.2
169.13460	3.5
173.12886	12.2
183.11301	11.1
187.14415	7.2
188.14355	4.1
197.12874	5.3
231.21941	3.6
302.18924	6.4
332.23718	3.9
380.40161	3.6
382.36554	3.6
463.60394	4.3
479.38086	6.0
625.36511	7.4
643.38214	34.2
661.39075	13.6
1049.31775	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	109.0288
Annotation	p-Benzoquinone
Peak:m/z	Relative Intensity
51.02370	0.8
53.03941	24.6
62.03675	0.3
62.76587	0.3
68.05002	0.4
72.94715	0.3
74.22296	0.3
77.14326	0.3
79.05486	0.5
81.03407	100.0
81.07042	1.0
82.03764	0.3
82.06548	0.5
91.05489	0.4
94.04178	0.4
94.06564	1.0
100.53133	0.3
109.02862	2.8
109.06500	1.3
109.07632	4.2
110.06019	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
52.93863	0.6
53.00304	1.3
53.03946	5.1
53.92629	0.8
54.16710	0.6
55.05507	6.6
65.03926	2.8
67.05497	100.0
69.07060	4.9
79.05480	4.5
79.72044	0.8
80.06262	1.8
81.03408	19.8
81.07047	34.6
91.05438	1.3
94.04147	1.1
98.88792	0.8
105.48490	0.7
106.18954	0.8
107.08582	4.2
109.02843	1.8
109.06520	4.8
109.07656	1.7
109.10151	68.2
110.06023	1.4
111.96883	1.2
112.96746	0.9
113.96419	1.9
121.08360	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93863	0.6
53.00304	1.3
53.03946	5.1
53.92629	0.8
54.16710	0.6
55.05507	6.6
65.03926	2.8
67.05497	100.0
69.07060	4.9
79.05480	4.5
79.72044	0.8
80.06262	1.8
81.03408	19.8
81.07047	34.6
91.05438	1.3
94.04147	1.1
98.88792	0.8
105.48490	0.7
106.18954	0.8
107.08582	4.2
109.02843	1.8
109.06520	4.8
109.07656	1.7
109.10151	68.2
110.06023	1.4
111.96883	1.2
112.96746	0.9
113.96419	1.9
121.08360	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1092.7293
Annotation	Unknow
Peak:m/z	Relative Intensity
102.14130	3.3
102.65060	3.0
145.17737	3.4
158.96577	3.7
182.35863	3.8
254.22615	3.7
332.19330	9.6
390.93616	5.0
431.26413	6.0
563.30731	4.4
586.45532	11.1
601.17664	4.6
692.30945	4.2
731.53009	4.8
770.56299	7.7
788.54205	6.4
832.57550	7.0
1092.50061	5.7
1092.72607	100.0
1093.71179	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	1094.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
77.73962	1.2
85.02898	5.6
85.91019	1.2
91.05460	2.2
91.71606	1.5
94.04186	3.3
103.05469	10.0
108.45675	1.2
109.06542	2.3
109.70477	1.2
111.04450	2.4
115.05441	2.8
122.03654	5.7
129.06987	8.5
131.04918	17.2
137.05977	95.9
144.05730	3.9
145.06384	1.5
147.04475	2.5
151.03860	1.4
151.07541	2.1
157.06493	5.4
160.05244	3.5
163.07529	3.3
171.08012	1.6
172.05191	5.9
174.06747	8.1
175.07529	23.8
177.09081	1.3
187.07536	70.2
189.09108	20.3
191.08545	2.0
199.07568	3.6
203.08513	5.1
205.08549	4.1
217.08580	26.3
219.08069	5.8
231.08061	7.1
233.05930	1.6
234.06728	1.7
235.09731	2.9
247.07629	5.1
248.08340	5.8
251.10655	5.0
259.07501	2.2
260.08392	1.8
261.09027	2.4
263.10611	9.2
264.07770	1.9
265.08725	1.7
270.08765	2.5
271.09659	1.6
276.07907	3.5
279.10092	10.0
291.10147	21.6
293.07962	2.0
296.10449	5.2
311.12735	12.2
313.14157	1.7
323.12759	28.6
329.13953	2.0
341.13828	100.0
342.14029	2.0
359.14603	2.2
362.25128	1.4
382.32352	1.4
900.01276	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	1099.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05473	6.3
80.05014	7.5
80.57268	4.3
81.03402	12.3
81.07034	16.6
83.08595	5.3
84.04492	38.0
91.05458	6.3
91.71068	6.0
93.07015	7.8
95.04942	4.6
95.08601	16.2
96.04490	24.3
97.02903	5.8
98.06049	14.5
98.98461	12.3
102.05554	5.0
109.02867	7.2
109.10178	8.7
121.10120	4.7
126.05499	46.7
138.05486	100.0
144.06567	15.5
145.89876	4.1
164.52960	4.3
168.06577	18.7
186.07628	16.4
204.08678	80.5
261.03830	11.4
261.45514	4.8
280.26465	8.7
284.23102	6.3
298.27356	94.2
342.59995	4.4
490.77109	4.6
539.96741	5.1
558.30298	23.2
640.14557	9.4
734.33423	58.6
846.78625	5.0
937.41614	44.1
1045.23853	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	110.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.93520	0.9
56.96553	0.9
58.02931	0.7
58.06590	0.5
65.03905	1.9
66.04704	0.6
67.04240	0.9
67.05489	2.1
67.46825	0.6
68.02621	0.8
68.04993	0.9
71.94067	1.0
72.04506	51.8
72.93774	2.8
73.04848	2.0
73.05283	25.0
73.53239	0.7
74.05650	1.3
74.06059	8.3
75.53487	4.8
76.03522	1.0
77.00891	1.2
77.01938	0.5
78.03741	1.5
79.14906	0.6
80.05009	0.7
81.03422	0.9
82.01434	5.3
82.03722	1.6
82.06557	2.7
83.01502	1.0
83.04978	0.7
83.06056	0.7
83.12997	0.6
84.54003	1.2
86.09662	1.0
87.03755	1.2
87.04271	23.1
87.54314	3.9
89.54501	6.5
90.04588	0.8
90.94804	0.7
95.04958	0.8
96.04814	3.2
96.54877	0.7
97.00157	0.6
98.05831	0.7
98.51238	1.9
98.55059	48.6
99.04266	1.1
99.05132	10.5
99.55300	0.8
100.02476	18.7
101.02561	2.4
107.55569	2.5
108.05717	0.7
108.95858	0.7
109.52219	1.1
110.02023	6.6
110.05853	100.0
110.52164	1.4
110.55920	26.3
111.04407	0.8
111.06078	1.1
112.96719	1.2
113.96383	10.1
114.96368	0.9
115.02389	1.1
118.03511	7.1
119.03641	1.7
123.04045	30.9
124.04163	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	1106.7444
Annotation	Unknow
Peak:m/z	Relative Intensity
143.63527	6.6
211.28178	6.9
215.78975	7.3
220.63884	7.0
271.71255	8.2
332.19458	9.5
600.47540	9.9
734.53027	7.3
784.57629	7.6
1106.54150	7.9
1106.74353	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0508
Annotation	Cytosine
Peak:m/z	Relative Intensity
51.27345	0.3
53.24757	0.3
56.05824	0.3
57.10679	0.3
63.15874	0.3
67.02973	0.7
67.05481	1.3
68.01378	0.5
68.05001	0.8
69.03399	0.5
69.04540	6.5
69.07043	0.4
70.06582	1.9
72.61914	0.4
75.89194	0.3
79.63963	0.4
80.05778	0.4
84.08134	2.3
94.04028	2.1
94.06549	0.7
95.02440	20.3
95.04951	0.7
100.58686	0.4
106.30570	0.3
112.05076	100.0
112.07599	3.5
112.11213	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	1128.754
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05467	27.7
81.07044	73.9
85.96398	6.7
91.05460	57.9
93.07037	42.4
95.08598	59.6
97.06496	6.9
97.10168	7.2
99.08081	6.7
104.10729	17.8
105.07024	30.0
107.08594	18.5
109.10168	20.9
117.07082	9.7
119.04954	31.8
119.08601	15.3
120.71632	6.7
121.10133	40.8
131.08575	12.0
131.82561	6.5
133.10153	15.6
135.11681	16.0
140.00816	6.0
145.10101	8.9
147.04398	100.0
163.14864	6.7
189.87924	7.8
233.41286	7.0
325.23743	18.7
360.26688	8.2
390.40363	8.0
467.38904	14.4
485.39832	17.8
559.43921	10.1
644.24146	8.4
809.62823	44.0
869.63800	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	0.3
53.03920	0.2
54.40452	0.3
62.99062	0.4
67.04241	0.5
68.05018	10.0
70.06583	2.8
71.06292	0.4
71.06910	5.7
72.97019	0.3
81.03382	0.6
82.05323	0.8
85.06561	0.3
95.06078	100.0
96.06449	0.4
101.03233	0.3
109.19204	0.3
112.53912	0.3
113.02419	0.4
113.03487	1.1
113.07119	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.7111
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07023	6.4
93.99574	5.4
95.08609	8.0
103.51505	6.0
111.13910	5.5
111.97665	5.7
374.03348	7.3
419.38684	6.5
525.39685	12.4
849.62317	12.2
969.64752	7.8
1133.70850	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.128
Annotation	N-METHYLCYCLOHEXYLAMINE
Peak:m/z	Relative Intensity
52.80548	1.6
57.05796	4.2
58.06317	2.2
58.06588	31.6
59.04975	3.2
68.05013	5.5
69.03410	2.6
69.07061	6.5
71.02984	2.8
71.07351	11.0
72.07743	4.7
72.08142	95.1
72.51791	2.2
72.93778	15.9
79.05463	8.6
82.01437	3.1
82.53753	9.6
86.06037	4.3
87.04496	3.2
90.94813	2.3
94.04543	14.9
96.08121	4.1
100.02462	7.6
103.35484	2.4
113.96368	9.3
114.05532	9.7
114.09154	76.3
114.12792	100.0
115.03932	2.5
118.03515	4.8
123.04049	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	1152.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03408	1.2
81.56900	0.3
83.04971	18.2
84.45714	0.4
85.02894	100.0
95.01313	7.7
95.04958	2.7
97.02894	2.2
97.06525	1.4
99.00836	0.9
99.04446	0.6
105.07017	0.4
107.04953	0.4
109.02887	1.0
111.04434	13.7
113.02353	3.1
113.05979	0.9
121.06544	0.6
123.00792	0.9
123.04468	0.4
125.05973	0.7
127.03905	16.7
129.05450	2.0
135.04422	0.6
137.02365	0.8
139.03883	0.7
141.01819	27.2
141.44907	0.4
143.07047	0.7
149.06015	0.4
151.03970	0.5
153.05432	0.5
157.04948	3.1
159.02898	0.8
163.03984	0.5
169.48880	0.4
171.06523	4.1
173.04472	0.4
181.04980	0.4
183.02887	3.9
189.07614	0.8
201.03929	17.2
239.09148	1.4
251.05447	0.6
261.06030	41.0
262.06421	0.5
269.06607	0.9
287.07727	0.7
311.07617	4.7
369.60699	0.4
371.09943	1.9
389.10638	0.6
461.40790	0.8
488.46765	0.4
607.05658	0.4
695.51593	0.4
1161.83606	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0709
Annotation	Proline
Peak:m/z	Relative Intensity
55.01844	0.2
57.67011	0.2
59.27646	0.2
60.49158	0.2
65.55975	0.2
68.05019	0.3
70.06583	100.0
71.06908	0.3
72.47499	0.2
78.57048	0.2
96.55590	0.2
98.06036	0.3
105.15243	0.2
116.07087	15.8
124.58909	0.2
129.15579	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	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
53.03925	4.7
55.01855	1.0
55.05510	7.1
55.72383	0.9
58.50402	0.8
72.08144	100.0
77.03899	2.8
95.04960	34.3
102.30620	0.9
105.04491	6.4
117.06956	1.1
118.06526	48.0
118.08637	7.7
120.43181	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.05493	4.3
58.06599	1.4
64.33369	1.2
70.06564	1.3
72.08145	100.0
74.83247	1.2
75.35480	1.2
95.04961	12.0
101.87862	1.1
105.04529	3.2
118.06536	15.6
118.08643	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.81606	0.3
55.05500	6.9
56.57826	0.3
56.96556	1.1
57.05812	0.4
58.06581	0.8
62.03959	0.4
70.06596	1.4
72.08144	100.0
77.97372	0.4
82.01417	0.8
91.05459	6.4
95.04952	2.1
96.08121	0.7
100.02463	2.5
100.03962	0.7
117.05750	0.5
118.03531	0.6
118.06528	33.0
118.08650	6.6
123.04060	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	118.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63671	0.3
53.03949	0.4
55.05506	1.9
58.06590	0.9
70.06584	1.1
71.03869	0.3
72.08145	100.0
77.03928	0.3
91.05509	0.3
91.99526	0.4
95.04958	4.6
115.71555	0.3
118.06540	6.1
118.08651	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	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
53.03927	3.8
55.05508	8.8
57.05814	1.5
65.19939	1.1
70.06591	1.8
72.08143	100.0
73.49959	1.2
77.03916	2.2
77.30997	1.0
88.61385	1.3
90.94780	1.1
95.04961	26.4
103.57261	1.4
105.04514	4.4
118.06534	37.1
118.07323	2.7
118.08614	6.0
118.55694	1.1
124.03494	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	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33794	2.5
54.40727	2.4
54.61377	2.4
58.12442	2.8
59.99929	8.5
63.57793	2.7
70.80019	2.7
72.64707	2.9
78.00989	5.5
78.08253	2.9
82.01437	5.1
82.16202	3.1
82.29236	3.1
83.01495	33.0
84.01199	5.1
100.02496	16.5
101.00871	10.1
101.02551	100.0
102.02219	5.2
105.50744	3.1
118.03515	5.3
119.01914	75.6
119.03596	31.8
123.04060	14.2
124.02567	7.7
124.04147	97.2
125.03780	7.7
137.02945	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97932	0.9
54.25708	0.9
65.03932	14.1
67.23113	1.1
72.08142	2.1
72.55975	1.0
73.08482	11.3
74.06061	1.0
91.05474	100.0
98.06689	1.1
117.07003	2.0
119.04941	53.9
119.08488	7.6
124.71339	1.1
127.94953	1.1
130.26509	1.2
131.10138	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
61.27965	0.9
65.03928	16.0
65.31667	0.9
73.08478	2.8
88.88383	1.1
91.05471	100.0
119.04932	62.1
119.08582	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	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
50.06685	1.1
55.83474	1.1
60.20681	1.2
63.52304	1.2
65.03640	1.8
65.03932	18.8
73.08460	3.5
74.06085	1.6
87.25826	1.6
91.05471	100.0
92.05779	1.4
95.04964	2.4
108.57137	1.5
119.04930	61.3
119.06832	2.8
119.08530	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55464	1.0
55.56872	1.1
58.69313	1.2
64.61570	1.3
65.03934	15.6
72.08144	1.9
73.08480	8.8
74.06065	1.5
75.68084	1.3
81.30737	1.1
84.87391	1.5
88.81094	1.2
91.05473	100.0
96.05294	3.3
119.04938	63.9
119.06834	3.1
119.08553	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	120.0657
Annotation	L-Threonine
Peak:m/z	Relative Intensity
54.03797	0.4
55.81076	0.4
56.05028	43.0
57.03423	3.0
57.04167	0.5
58.06586	2.2
60.04517	0.7
64.97073	0.4
65.03918	0.7
67.28730	0.6
70.06580	0.6
72.08145	6.9
73.08479	0.8
74.06070	100.0
74.08817	1.2
75.04475	1.2
78.62781	0.4
79.02191	1.7
84.04516	2.5
86.01720	0.5
99.70251	0.5
102.05537	18.2
102.06195	1.1
110.19245	0.5
120.06574	4.0
120.08136	1.2
120.09103	0.7
124.24045	0.5
128.36359	0.5
134.37456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38259	0.3
54.03799	0.3
56.05029	41.4
56.96554	1.8
57.03433	3.7
58.06604	0.7
60.04509	1.4
60.95828	0.5
62.39097	0.3
65.00644	0.4
65.03928	1.8
67.94057	0.3
70.06576	1.1
72.08151	4.1
72.49817	0.3
73.08501	0.5
74.06071	100.0
74.08823	0.7
75.04436	1.0
84.04501	2.9
85.02901	1.1
88.04029	0.4
91.05490	0.4
92.05029	0.4
92.05811	0.5
92.37283	0.4
92.94971	0.4
93.07024	0.7
95.04984	0.5
97.07733	0.4
98.06049	0.4
102.05534	17.7
102.38193	0.8
103.05473	1.7
114.92831	0.4
120.04512	1.3
120.05592	1.3
120.06594	4.6
120.08091	4.0
120.09007	0.6
121.02921	0.4
123.04070	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97727	0.9
57.23353	0.9
67.70573	1.0
70.63925	1.0
74.06077	1.9
91.01521	1.0
91.05476	3.5
93.07039	8.2
95.04956	4.6
103.05461	41.8
120.08096	100.0
130.66241	1.3
136.09052	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	121.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.0
55.61941	1.4
62.91048	1.6
70.09537	1.8
72.79080	1.7
77.03905	2.9
77.70956	1.8
91.04926	3.1
91.05470	44.0
91.06037	2.9
93.06480	3.5
93.07030	45.7
95.04960	33.6
103.05460	53.5
105.04518	9.1
115.50997	1.7
118.06541	9.5
121.06493	100.0
130.56862	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	121.0649
Annotation	p-Tolualdehyde
Peak:m/z	Relative Intensity
53.03931	4.6
55.01856	3.0
55.52776	2.4
55.65923	2.2
57.51373	2.8
63.77645	2.3
65.03945	2.8
84.81707	2.5
89.37004	2.4
91.05476	46.2
93.07034	51.9
95.04954	37.9
98.06254	3.0
103.05463	55.0
105.04465	4.2
118.06519	8.9
121.06497	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02385	3.5
53.03941	4.6
54.03157	3.0
57.62666	3.2
58.04757	3.3
75.10091	2.7
77.03920	6.1
78.71718	2.8
87.71716	3.7
91.05475	59.1
92.86935	3.5
93.07030	49.2
95.04951	49.4
103.05461	63.7
105.04505	6.6
118.06518	9.7
121.06493	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
60.05991	2.1
63.32612	2.1
73.52166	2.4
77.03902	3.7
91.05469	44.6
93.07032	45.1
95.04961	39.0
95.09676	2.4
96.99254	3.0
103.05461	60.3
105.04527	5.6
118.06514	7.7
121.06493	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	2.8
58.99868	4.2
67.20100	2.0
73.71601	2.0
77.49292	2.3
82.01433	34.1
90.47489	2.0
92.19608	2.2
99.24052	2.3
100.02482	100.0
118.03522	37.0
118.04295	4.5
123.04058	81.6
124.04406	3.0
141.05103	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
54.04270	4.0
56.96549	8.3
57.01925	2.4
67.05489	2.6
80.05006	3.2
81.07058	2.9
91.05469	20.4
92.05815	12.9
93.06139	23.3
93.07033	22.2
94.06770	2.7
94.07361	13.7
95.04953	46.4
95.07695	30.0
96.05303	13.5
97.05625	11.9
100.02448	4.4
103.05453	26.2
105.04557	2.8
105.06123	42.9
106.58078	2.9
118.06577	5.5
123.04337	10.6
123.05590	5.9
123.07104	100.0
141.05090	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	123.0555
Annotation	Nicotinamide
Peak:m/z	Relative Intensity
51.46739	0.3
53.03934	0.8
55.01844	0.7
56.04994	0.4
56.96556	3.2
63.07972	0.4
65.03938	0.4
67.05484	1.7
75.37608	0.3
77.29958	0.4
78.03426	0.9
79.05469	0.5
80.05005	30.5
81.03397	0.8
81.07017	0.7
82.06581	1.0
84.08202	0.4
88.81642	0.5
94.03355	0.4
95.04964	3.7
95.06081	1.2
96.03914	0.6
96.04484	9.7
96.08115	0.9
97.99181	0.4
100.02480	0.7
104.61389	0.4
105.03734	0.4
106.02909	1.6
108.06863	0.7
119.06067	0.4
123.05542	100.0
123.09165	8.9
124.03909	2.6
141.05107	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68316	14.9
83.01513	20.4
100.02492	24.6
101.00943	17.9
101.02569	100.0
119.01942	57.7
119.03641	47.5
124.04149	68.6
142.03485	39.5
142.05225	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0962
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
55.05505	18.0
59.04989	4.5
60.95835	4.7
63.24571	3.4
64.67771	3.0
66.30420	3.2
67.05496	7.5
69.03420	49.3
69.07049	6.3
79.05490	25.0
80.52209	3.4
81.07047	12.5
82.06566	3.3
83.04971	20.6
84.04488	9.6
91.05482	39.1
91.71558	3.9
95.04919	4.3
97.02837	3.5
97.06509	10.8
105.07037	12.9
107.08574	35.8
109.06480	6.4
110.07289	3.2
125.09624	100.0
125.10506	6.9
137.82219	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	126.0221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58958	23.0
53.33991	21.8
54.69068	22.5
72.01006	28.7
78.77026	24.3
83.04890	29.5
85.11112	24.5
87.09221	26.4
93.67319	23.1
97.00317	23.6
102.02267	51.1
104.90861	29.2
109.05237	25.6
121.01695	100.0
125.03815	42.2
139.02736	50.1
144.03267	97.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0392
Annotation	1,2,3-Trihydroxybenzene
Peak:m/z	Relative Intensity
50.14558	1.1
53.00266	1.2
53.03940	17.7
55.01872	7.4
55.79969	1.2
57.03434	3.3
69.03426	8.9
71.01355	8.5
71.04990	18.1
81.03412	100.0
81.04484	8.0
81.07075	1.2
82.06563	1.4
85.02886	3.3
95.01358	1.2
97.02872	1.3
99.04449	12.3
102.04517	1.3
109.02875	36.9
116.26785	1.5
127.03924	57.6
127.04995	4.2
127.05899	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	127.0392
Annotation	1,2,3-Trihydroxybenzene
Peak:m/z	Relative Intensity
53.03944	16.5
55.01855	5.7
55.05499	1.7
57.03420	3.0
58.50270	1.1
69.03426	10.3
71.01332	7.1
71.04980	13.1
81.03408	100.0
81.04517	5.7
81.07053	4.0
83.01315	1.4
83.04943	1.5
84.08144	1.2
85.02889	4.7
99.04441	13.9
102.28562	1.3
109.02869	33.4
109.03607	1.7
113.03496	2.1
126.31901	1.2
127.03916	63.6
127.04926	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	129.066
Annotation	alpha-Amino-gamma-cyanobutanoate
Peak:m/z	Relative Intensity
51.80259	0.3
52.37822	0.2
54.45669	0.2
56.05026	3.9
57.89493	0.3
58.24076	0.3
60.82890	0.3
69.03403	0.4
70.06540	0.3
70.29427	0.3
83.06094	100.0
84.04488	4.2
84.08128	5.5
97.02866	0.5
99.26873	0.3
99.32345	0.3
103.66696	0.3
110.76286	0.3
112.11233	0.6
129.06592	19.9
130.05025	0.4
130.08626	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.05
Annotation	L-Pyroglutamic acid
Peak:m/z	Relative Intensity
51.53143	0.3
53.99682	0.3
56.05029	3.6
61.70268	0.3
67.05498	0.6
69.03423	3.0
69.07086	0.3
70.06575	0.8
71.04986	0.5
84.04494	100.0
84.08132	17.2
85.02892	0.3
85.04852	0.6
95.04932	0.4
97.86492	0.4
98.03246	0.3
98.42960	0.3
102.05539	0.6
112.07592	7.7
118.71027	0.3
120.18028	0.3
121.09505	0.3
130.04991	11.1
130.08641	6.8
131.03247	0.4
143.65459	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0501
Annotation	Pidolic acid
Peak:m/z	Relative Intensity
50.69665	0.4
52.57807	0.5
56.05031	5.9
63.36813	0.5
67.05489	0.8
70.06592	3.0
70.27795	0.5
83.06078	0.5
84.00803	0.8
84.04500	100.0
84.08138	96.5
85.02913	2.3
95.04932	0.6
95.12638	0.7
102.05553	1.2
111.66856	0.5
130.05000	11.1
130.08638	17.2
130.09549	1.0
133.24971	0.5
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	1723-00-8
Peak:m/z	Relative Intensity
51.44304	0.5
53.00289	0.5
56.05019	2.5
56.05254	0.4
62.44244	0.5
67.05486	0.8
67.50284	0.5
69.03421	29.6
69.07055	4.2
70.06579	2.1
71.04978	0.7
81.43610	0.5
82.06549	1.6
84.04495	50.3
84.08135	16.5
94.06557	0.9
105.49788	0.6
111.35381	0.6
112.07597	100.0
130.05011	4.8
130.08635	37.0
135.39111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1591
Annotation	Octylamine
Peak:m/z	Relative Intensity
51.60976	0.9
57.06808	1.9
57.07067	28.6
67.16075	1.0
67.30730	1.1
69.53250	1.0
74.09708	33.2
80.06779	0.9
84.04500	10.0
84.67323	1.2
86.94482	1.2
92.81765	1.2
102.63121	1.3
113.00201	1.3
125.20234	1.1
130.15907	100.0
139.90758	1.2
144.11630	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85246	0.3
53.03938	0.5
56.96566	0.3
57.03448	0.6
62.93820	0.3
63.87951	0.3
77.03912	0.9
82.39235	0.4
84.04488	1.8
85.02889	0.8
85.04265	0.6
85.04829	5.8
85.08463	0.6
91.71642	0.4
95.04971	6.4
100.14151	0.4
102.04678	0.6
103.05463	100.0
104.05792	0.5
105.04486	1.1
112.86816	0.3
113.02450	0.4
117.35008	0.4
117.84737	0.4
118.06530	0.8
131.04918	19.0
144.08058	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.5
53.03938	0.9
56.96554	0.6
66.65229	0.5
77.03898	1.0
84.04503	1.0
85.04219	0.5
85.04828	2.8
91.20509	0.5
95.04952	6.5
102.04682	0.7
103.05457	100.0
105.04501	1.0
118.06521	1.2
125.76608	0.5
131.04918	18.8
144.08102	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	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85246	0.3
53.03938	0.5
56.96566	0.3
57.03448	0.6
62.93820	0.3
63.87951	0.3
77.03912	0.9
82.39235	0.4
84.04488	1.8
85.02889	0.8
85.04265	0.6
85.04829	5.8
85.08463	0.6
91.71642	0.4
95.04971	6.4
100.14151	0.4
102.04678	0.6
103.05463	100.0
104.05792	0.5
105.04486	1.1
112.86816	0.3
113.02450	0.4
117.35008	0.4
117.84737	0.4
118.06530	0.8
131.04918	19.0
144.08058	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
54.23483	1.0
56.96549	4.7
57.03434	1.0
57.07067	1.3
60.05632	1.1
84.04495	5.5
85.04253	2.3
85.04821	17.2
85.08447	1.1
86.09717	1.3
91.05471	3.4
95.04955	9.0
103.05460	100.0
105.04498	1.6
107.53365	1.1
113.96386	2.5
115.96458	2.2
116.06292	1.4
118.06509	2.1
123.98589	1.2
129.06985	1.3
130.15892	3.0
131.04904	21.4
131.08629	4.7
131.97417	2.3
144.08116	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	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
56.96564	1.0
60.04508	0.7
65.71812	0.6
66.51901	0.6
73.51068	0.6
84.04491	1.7
85.04823	5.1
90.83504	0.6
91.05460	1.9
95.04964	6.7
102.04688	0.7
102.93616	0.6
103.05457	100.0
104.05810	0.7
105.04499	1.0
109.57545	0.6
113.96373	1.3
115.96426	1.4
116.97143	0.6
118.06529	1.2
131.04910	25.0
131.08543	2.7
131.97430	0.7
135.23483	0.9
144.08070	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.1068
Annotation	Heptanoic acid
Peak:m/z	Relative Intensity
50.25051	1.3
50.87361	1.3
56.96553	4.9
57.06799	3.1
57.07066	45.1
57.08799	1.2
57.99421	1.3
67.05480	4.4
67.70056	1.8
69.07047	1.4
72.93777	1.7
73.44176	1.4
74.91135	1.5
76.86579	1.5
84.04487	4.4
85.04829	10.1
91.05484	4.0
92.74372	1.5
95.04944	2.2
95.08591	5.3
103.05457	19.4
111.50895	1.6
113.09638	100.0
113.96407	4.1
131.05037	2.7
131.08557	7.0
131.16231	2.8
134.26593	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	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
58.06578	0.6
58.98825	0.4
59.76475	0.3
61.14651	0.4
69.07058	14.9
69.78010	0.4
72.08150	0.6
73.35467	0.4
86.09695	100.0
87.10030	0.9
96.46352	0.4
98.84734	0.5
125.81414	0.5
128.46323	0.5
132.10193	1.2
144.25534	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
53.00294	0.5
55.11721	0.3
57.93074	0.5
58.06581	0.7
59.60341	0.4
69.07059	9.3
86.09695	100.0
130.70731	0.5
132.10217	1.5
139.36946	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	9.6
60.62450	2.1
65.21028	2.2
69.03413	19.1
74.02436	3.0
77.34988	2.4
77.50060	2.3
79.05460	3.0
85.02888	10.5
87.04430	3.0
87.10031	5.2
91.05473	19.8
92.27531	2.5
92.51764	2.4
93.07040	2.8
95.04988	3.7
97.02876	3.2
103.05447	6.2
105.07023	100.0
105.11992	2.3
111.95650	2.7
123.52576	2.8
131.08594	3.8
133.06471	24.6
133.07430	4.1
133.10135	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	6.1
57.03419	14.2
59.10553	5.2
59.69771	5.0
69.03417	44.6
79.93877	5.9
85.02880	19.2
87.10040	13.6
88.02209	8.5
91.05467	18.5
91.71655	9.7
95.04987	9.6
97.02895	8.2
103.05447	8.8
105.07018	100.0
124.10509	6.5
133.02864	9.4
133.06494	51.2
133.07555	13.4
133.10114	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0609
Annotation	[(ammonioacetyl)amino]acetate
Peak:m/z	Relative Intensity
52.53072	0.8
55.01849	1.3
56.05019	2.3
57.03424	0.9
58.06594	2.0
58.99541	1.0
60.90169	0.9
61.01137	7.9
67.16426	0.8
69.03413	3.4
69.05343	1.4
69.07041	0.9
69.63031	0.8
70.02954	5.1
70.06573	3.8
70.07393	4.4
71.01354	1.0
72.08130	1.5
73.08477	4.0
74.02434	100.0
74.06010	0.8
75.02690	0.8
76.32417	1.0
79.49178	0.9
82.76953	0.9
85.02879	1.2
86.09704	10.6
87.02695	10.5
87.05586	37.9
87.06409	3.8
87.09459	2.3
87.10028	41.6
88.03995	10.1
88.07632	1.8
97.02871	2.8
98.06070	2.4
115.05039	1.9
116.03458	7.2
116.07044	1.2
133.03174	2.6
133.06068	5.4
133.07643	3.7
133.10556	1.7
152.54865	0.9
154.79051	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
55.01864	3.8
56.96562	4.2
79.05504	9.9
86.09707	4.5
87.10046	7.8
88.02216	5.4
91.05492	3.8
95.04997	6.1
103.05496	11.5
105.03445	2.3
105.07024	100.0
105.10574	2.3
115.05508	2.9
117.96034	6.9
123.08109	6.9
133.02901	3.1
133.06499	71.8
133.07608	8.6
133.10115	6.7
141.98401	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	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
52.88796	3.3
55.01851	4.7
55.05507	7.7
56.96572	17.5
57.30408	3.1
58.15010	3.4
60.05151	3.3
63.72998	3.3
69.03448	5.5
73.65418	3.6
77.90799	3.3
79.05543	5.1
87.10043	11.2
88.02219	5.9
91.05521	12.2
93.75381	4.0
95.04987	10.0
103.05494	14.8
105.07021	100.0
105.07663	6.0
133.06494	63.4
133.07608	12.1
133.10117	19.9
146.84073	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	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
55.01846	2.4
55.65826	0.7
56.96552	1.8
70.82246	0.8
74.02426	1.4
77.03944	0.9
79.05470	7.1
84.92174	0.7
87.10004	1.3
91.05463	2.7
95.04948	2.6
103.05455	6.8
105.07021	77.5
115.05426	3.6
131.04884	1.3
133.06482	100.0
133.10124	6.6
138.29942	0.9
138.89487	0.8
139.84227	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
55.05501	5.8
61.59857	4.0
63.05933	4.0
65.33403	3.8
65.40137	4.1
67.05218	2.9
67.05486	22.0
67.43912	3.7
71.07774	4.4
72.04554	4.2
76.42507	4.7
79.05482	12.9
87.10055	4.5
91.05470	79.2
94.39613	4.5
105.07020	100.0
117.95975	9.6
122.53150	4.5
133.06508	9.1
133.10129	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
55.05495	2.6
56.53267	0.8
76.77659	1.1
79.05463	3.9
91.05467	17.2
93.07027	4.3
95.04926	1.2
103.05466	1.9
105.07024	56.5
111.00352	1.2
115.05438	3.3
117.07021	2.9
118.07813	3.9
131.08553	4.6
133.06494	4.8
133.10121	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
55.05504	26.7
56.96552	4.7
59.04980	7.9
69.03423	3.1
73.06545	96.3
74.02437	13.2
74.28867	1.8
79.05470	4.9
86.09705	2.7
87.05576	4.3
87.10023	8.5
91.05459	28.6
93.07036	3.1
95.00651	1.6
95.04942	2.3
97.02891	3.3
103.05448	4.3
105.07024	73.2
114.09124	4.0
115.05418	2.3
117.06993	3.5
118.07779	4.1
125.02435	1.7
131.08588	4.9
133.06494	6.4
133.07535	3.2
133.10117	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.92489	1.5
55.03107	1.3
56.96547	1.6
61.38181	1.4
70.17929	1.3
74.02417	3.1
79.05465	7.1
85.66151	1.7
87.10011	2.1
90.36431	1.6
91.05469	14.7
91.71694	2.0
92.85738	1.7
93.07040	3.2
93.10477	1.3
95.04977	2.9
96.57668	1.5
103.05442	5.0
105.07027	64.2
114.21287	1.4
115.05465	3.5
115.19659	1.6
117.07008	3.0
117.22621	1.5
118.07790	3.9
126.09698	1.7
131.08548	5.2
133.06503	38.2
133.07503	2.9
133.10121	100.0
153.46407	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	133.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	1.4
53.03931	3.6
55.01870	0.8
55.05503	100.0
56.96563	1.4
57.07063	2.8
57.23394	0.7
69.03404	1.3
69.07058	41.0
71.08620	1.1
82.38854	0.9
87.10021	1.4
88.02225	1.0
91.05461	3.3
96.08147	1.3
97.10159	58.2
105.07014	12.0
115.11179	1.4
133.02826	1.4
133.06479	3.3
133.10121	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	134.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	6.1
55.01874	13.8
56.81804	4.0
56.96543	12.6
57.03431	90.9
58.99840	5.7
61.00927	4.3
61.31238	4.6
68.02628	6.5
69.03414	30.3
73.02901	19.0
77.00900	10.9
81.03410	28.6
82.01434	17.3
85.02877	13.3
88.14130	5.9
95.04936	6.8
98.06058	6.2
100.02463	62.0
101.00879	24.5
101.02545	11.6
102.00948	7.6
102.02252	6.3
109.02866	6.7
118.03514	19.2
119.01912	50.2
120.02060	12.7
121.01685	8.5
123.04043	71.2
124.02463	36.0
124.04124	11.3
131.01927	23.3
132.02058	6.8
136.02435	5.6
138.04041	8.1
141.05069	38.3
142.03490	100.0
143.01884	11.9
143.03632	18.1
144.03203	12.3
154.03464	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0635
Annotation	4-Methylthiobutanaldoxime
Peak:m/z	Relative Intensity
50.88359	0.9
51.30448	0.9
53.58495	0.8
56.05025	6.4
56.96558	9.6
59.85685	1.1
59.99103	12.9
63.66782	0.9
69.07440	1.0
74.06071	1.1
78.00144	3.3
88.02207	37.4
105.02456	2.5
106.03249	20.7
107.04931	2.4
116.05317	11.1
117.33485	1.1
134.06345	100.0
139.01764	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.5
53.03942	1.8
67.05472	2.0
69.07060	1.3
70.90260	1.5
77.03908	5.0
79.05482	15.7
81.07064	1.3
91.05449	3.2
93.07040	5.6
95.04968	12.7
97.50532	1.3
105.03345	7.2
105.04495	1.9
105.07048	1.9
107.04927	3.9
107.08582	6.8
118.06499	2.5
135.04407	100.0
135.08093	1.7
135.11687	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	135.0441
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
50.88393	0.7
51.02377	1.4
53.03936	2.2
54.59698	0.6
55.01866	0.9
67.05500	1.5
77.03904	5.3
79.05479	15.9
85.89416	0.7
91.05470	2.1
93.07030	4.0
95.04963	14.9
99.24370	0.8
105.03371	9.8
105.04491	1.8
107.04967	1.4
107.08591	3.8
118.06511	2.7
134.31677	0.8
135.04408	100.0
135.07991	1.8
135.11685	1.9
136.02174	1.0
147.64275	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
50.01586	0.5
50.11349	0.6
51.02375	0.9
53.03927	1.3
54.31441	0.5
61.18997	0.5
63.75029	0.5
67.05489	1.2
71.78755	0.6
77.03931	4.8
79.05485	14.5
84.24708	0.6
91.05460	0.9
93.07032	2.0
95.04963	12.0
105.03387	8.2
105.04464	3.3
105.91058	0.6
107.08569	2.5
118.06528	2.9
119.08561	0.8
119.38274	0.6
135.04410	100.0
135.11678	0.9
136.04765	1.5
143.63316	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.5
53.03942	1.8
67.05472	2.0
69.07060	1.3
70.90260	1.5
77.03908	5.0
79.05482	15.7
81.07064	1.3
91.05449	3.2
93.07040	5.6
95.04968	12.7
97.50532	1.3
105.03345	7.2
105.04495	1.9
105.07048	1.9
107.04927	3.9
107.08582	6.8
118.06499	2.5
135.04407	100.0
135.08093	1.7
135.11687	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	135.0441
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.02362	1.8
53.03936	2.5
55.01859	2.0
55.45789	0.8
65.03937	1.0
67.05474	2.1
67.79475	0.9
77.03900	6.3
79.05485	21.1
88.15782	1.0
89.02932	1.1
91.05463	10.7
93.07040	16.6
95.04954	15.0
105.03387	8.3
105.04485	2.7
105.07021	3.0
105.31548	1.0
107.04948	2.3
107.08588	20.0
108.50808	0.9
109.06503	2.1
115.05461	2.6
117.07030	5.6
118.06540	2.8
135.04410	100.0
135.08047	29.6
135.09082	1.7
135.11687	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	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
52.62885	3.1
52.89994	2.9
55.01640	3.6
55.01865	18.6
59.12367	3.2
65.03933	9.0
67.05493	11.1
69.03422	20.7
74.33952	3.1
79.05491	53.8
91.05482	89.5
91.69354	3.0
93.07038	30.5
95.04957	14.8
105.07037	37.1
107.05016	4.6
107.08592	100.0
107.09271	6.8
109.06488	22.8
115.05451	30.7
117.07030	31.8
119.06060	11.7
132.08075	4.7
135.08061	82.0
135.09091	7.5
135.11678	21.6
136.06203	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	135.0805
Annotation	o-Methylacetophenone
Peak:m/z	Relative Intensity
51.53711	0.5
52.23488	0.6
55.01865	8.0
65.03909	1.8
67.05466	1.0
69.03410	1.3
69.07852	0.5
79.05483	10.7
81.03408	1.1
83.56764	0.6
91.05468	13.8
93.07038	6.3
95.04942	2.3
97.43876	0.6
105.07024	7.9
107.04940	2.6
107.08583	13.4
109.06502	2.7
115.05447	6.9
117.07011	20.7
119.06029	1.0
120.05711	0.9
133.06456	1.7
135.08044	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	o-Methylacetophenone
Peak:m/z	Relative Intensity
50.49775	2.1
50.71351	1.9
55.01863	71.6
59.41872	2.1
67.05488	3.4
69.03426	3.4
79.05495	15.9
79.05859	2.4
91.05472	19.3
93.07024	24.5
95.04953	7.4
105.07021	5.7
107.04935	8.2
107.08578	25.0
112.92405	2.6
115.05444	10.0
116.35678	2.7
117.06998	14.0
135.04411	12.5
135.08044	100.0
135.11661	7.5
136.02126	3.6
140.51585	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	135.0806
Annotation	o-Methylacetophenone
Peak:m/z	Relative Intensity
52.62798	3.2
55.01859	14.4
55.05500	3.8
64.52555	3.3
65.03924	8.7
67.05490	10.1
69.03412	12.0
79.05487	56.0
81.07021	4.0
82.58032	3.8
91.04916	7.2
91.05470	100.0
93.07042	37.8
94.04510	3.4
95.04952	15.0
105.07027	35.0
107.04949	7.7
107.08584	75.8
109.06522	23.9
115.05438	28.6
117.07028	23.4
119.06053	3.4
134.92474	3.6
135.04581	5.0
135.05521	6.5
135.08046	88.8
135.09073	7.8
135.11670	19.6
136.02161	6.8
136.06166	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	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.05498	2.9
56.97436	0.6
57.07056	1.2
58.01509	0.6
65.03918	1.4
67.05493	1.7
69.07058	5.9
77.03909	0.7
79.05482	19.5
81.07027	2.0
89.93142	0.8
91.04920	1.5
91.05466	19.1
91.71627	0.8
93.07033	32.0
94.07835	0.8
95.04963	4.4
102.73357	0.7
105.07009	9.1
106.12492	0.7
107.04915	1.7
107.08583	100.0
109.06515	6.6
113.21370	0.7
119.06062	1.8
119.08507	0.7
121.10496	0.7
132.08051	1.3
135.04413	1.0
135.11682	32.4
136.06171	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.46822	0.7
53.03934	1.0
55.05490	3.5
67.05481	2.2
69.07050	4.9
69.51656	0.8
79.05479	17.6
81.07047	0.9
86.88155	1.0
91.05462	15.2
93.07031	29.6
95.04943	4.0
105.04503	1.1
105.07029	9.2
107.08582	100.0
109.06496	5.6
109.07110	0.9
118.06502	1.7
119.06021	1.1
119.08453	1.3
135.04411	6.9
135.11682	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	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
55.05507	8.3
56.35461	0.6
57.07055	1.1
58.07005	0.6
58.11016	0.9
61.16862	0.7
65.03931	1.1
67.05476	3.0
69.07070	4.6
76.17662	0.7
77.03915	2.2
78.04730	0.8
79.05484	56.7
81.07027	3.6
81.74792	0.8
81.97556	0.7
91.05468	34.0
91.71620	1.2
93.07034	100.0
95.04956	16.6
105.04495	2.6
105.07017	9.7
106.07787	1.1
107.08585	72.0
108.66367	0.7
109.06519	3.9
114.40884	0.8
118.06523	2.7
119.06106	1.1
119.08584	3.3
120.09400	1.2
132.58710	0.8
133.10144	1.0
135.10648	1.7
135.11684	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.80582	0.9
53.03924	1.1
55.01866	1.7
55.05490	4.9
56.96558	1.3
58.63930	1.0
60.29678	1.0
63.70007	1.0
65.03922	2.4
67.05490	4.2
69.07047	3.1
79.05487	17.1
81.07039	5.0
91.05473	24.0
93.07039	55.2
95.04980	8.3
98.62383	1.4
105.07021	9.6
107.04943	3.0
107.08587	100.0
109.06502	4.4
117.07003	1.6
118.06563	2.1
119.08609	1.8
135.04402	3.3
135.05551	1.6
135.08051	4.7
135.09100	2.8
135.11688	31.1
136.02190	3.1
136.06192	14.8
136.07651	2.1
152.11429	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.21595	2.3
55.05498	5.4
56.17767	2.4
57.57355	2.7
67.05497	53.3
69.07053	5.6
79.05486	53.9
81.07053	25.2
84.80526	2.9
91.05476	15.5
91.71575	3.8
93.07036	80.4
95.04961	4.9
95.86173	2.9
107.08587	48.0
108.60822	3.3
114.42231	3.2
135.11691	100.0
136.06273	7.3
144.99493	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	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	5.4
65.98377	2.8
67.05167	6.1
67.05498	67.2
69.07063	8.0
69.49400	3.1
79.05489	45.5
81.07045	25.4
88.98887	3.2
91.05479	15.6
91.71069	4.6
93.07031	79.7
95.04965	5.3
96.07119	2.9
105.06982	3.6
107.08588	46.9
135.11693	100.0
136.06219	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	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	1.4
53.03921	3.0
54.22319	0.8
55.05507	12.0
57.07062	2.0
58.04614	0.8
65.03935	2.1
65.72630	0.9
66.22227	1.0
67.05496	5.9
69.07064	6.9
74.86054	1.1
77.03891	2.1
79.05484	38.0
79.82735	1.0
81.07043	11.5
83.03516	0.9
91.04927	2.0
91.05472	33.8
91.11690	1.0
93.07034	100.0
94.07832	1.7
95.04964	12.9
105.04486	2.8
105.07003	9.0
107.08585	91.3
109.06541	4.6
118.06528	2.6
119.08564	4.4
132.08081	1.2
135.11682	54.6
136.12001	1.1
149.54945	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.91476	3.1
55.05498	6.6
56.96544	7.9
65.03937	5.6
67.05494	5.9
69.07069	5.6
79.05489	35.0
81.07047	13.3
91.05478	42.6
93.07040	79.8
95.04952	18.0
105.07020	14.5
105.18452	3.3
107.04942	12.1
107.08582	100.0
107.09268	7.5
109.06513	8.6
110.31496	4.0
115.05480	5.2
117.06988	3.9
119.03606	6.3
119.08610	10.8
135.04436	15.1
135.05464	4.8
135.08043	23.0
135.11694	54.9
136.02191	13.3
136.06175	54.8
136.07278	5.5
136.07607	5.9
140.00287	4.3
148.63939	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	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.05506	6.7
55.05751	1.0
57.07062	1.0
65.03922	1.2
67.05489	1.4
69.07066	4.5
77.77275	0.7
79.05482	14.6
80.28407	0.7
81.07038	2.7
82.00518	0.7
91.05470	22.8
91.06040	1.3
93.07034	62.9
94.07839	1.0
95.04970	7.1
105.04514	1.6
105.07021	9.7
107.08586	100.0
108.08914	0.8
109.06497	6.5
110.72198	0.8
117.07024	1.2
118.06518	1.5
119.06059	1.5
119.08582	3.3
120.09335	0.9
131.30220	0.8
132.08093	0.9
135.08051	1.4
135.11690	29.6
136.02176	2.0
136.06215	4.6
147.69167	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
54.24865	3.0
55.01872	3.3
55.05497	10.5
69.07059	3.8
74.77173	2.8
79.05482	21.1
81.07037	4.9
86.66086	3.7
90.21159	3.7
91.05477	34.1
93.07038	68.9
95.04952	8.3
105.07025	14.1
107.04936	5.4
107.08588	100.0
109.06514	5.5
119.08567	11.8
135.08153	5.6
135.09169	5.1
135.11684	69.7
135.12666	6.1
136.02205	7.1
136.06163	26.6
150.12543	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	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
53.50970	0.7
65.01392	0.9
67.02970	1.0
73.20126	0.7
92.02477	1.4
93.71619	0.7
94.04041	2.0
119.03540	6.2
124.07125	0.7
136.06184	100.0
137.04581	4.9
140.58092	0.8
142.35590	0.7
143.42867	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
54.37748	0.6
56.96549	0.7
59.51015	0.6
76.48233	0.7
91.05456	3.0
94.04041	3.3
119.03558	5.9
136.02170	4.4
136.06183	100.0
137.04597	3.5
137.05956	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49244	0.9
65.03926	2.7
66.16067	0.9
80.40029	1.1
88.11725	1.1
91.05470	63.5
94.04070	1.9
95.04961	1.2
107.04959	4.7
109.06552	2.1
118.06570	2.2
119.03540	5.2
119.04936	19.8
136.02148	1.8
136.06189	100.0
136.07564	24.7
137.04590	6.2
137.05977	2.3
153.15233	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0757
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
56.96564	1.0
59.61848	0.6
65.03922	2.3
66.89011	0.5
76.72465	0.6
91.05469	85.3
91.71716	0.9
94.04104	4.2
94.06560	0.6
95.04948	0.8
98.57241	0.6
107.04948	4.7
108.08116	0.8
109.06503	1.6
118.06525	2.0
118.29508	0.6
119.03629	4.6
119.04932	28.0
119.60955	0.6
122.03654	2.6
122.35289	0.6
123.02134	0.6
132.08104	0.8
136.02165	3.0
136.06180	100.0
136.07559	24.9
137.04570	4.7
137.05934	8.0
139.06905	0.6
151.69051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.1121
Annotation	(S)-(-)-N,alpha-Dimethylbenzylamine
Peak:m/z	Relative Intensity
50.03396	0.2
51.02373	0.3
53.91351	0.2
69.05170	0.3
79.05475	3.0
91.71017	0.3
95.04954	1.4
102.86687	0.3
103.05455	3.0
105.07019	100.0
106.07322	0.3
136.11200	7.4
146.09604	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02367	0.3
57.34692	0.3
64.11449	0.5
65.03940	1.0
66.04711	3.3
77.03905	0.4
79.05470	1.4
80.68302	0.3
81.07037	1.5
91.05456	1.8
94.04179	21.3
95.04976	1.1
107.04948	1.0
109.06490	0.7
122.03638	37.1
137.05971	100.0
154.43010	0.4
155.03619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.46819	2.2
55.00130	1.7
66.04716	1.9
66.68917	2.0
69.20308	1.9
79.05485	2.5
81.07030	3.4
83.91885	2.1
91.05475	3.6
91.71064	2.9
94.04166	14.4
122.03649	29.7
133.29884	2.5
137.05968	100.0
140.73213	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
61.59203	0.6
63.76864	0.6
66.04697	3.3
79.05488	2.1
81.07040	1.1
86.40287	0.7
91.05472	1.8
94.04173	19.8
107.04902	1.2
122.02729	1.0
122.03629	32.3
137.05965	100.0
150.14977	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
60.49134	0.9
65.03925	1.9
66.04695	3.1
79.05458	1.8
81.07066	1.6
81.56522	1.2
91.05453	1.9
94.04179	21.6
96.31359	1.0
102.84727	0.9
122.03635	34.0
137.05968	100.0
152.34792	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
56.17314	0.6
63.28336	0.6
65.03923	1.7
66.04710	4.5
67.23756	0.6
71.14674	0.7
75.40984	0.7
79.05473	1.8
80.45586	0.7
81.07027	1.7
85.92909	0.7
89.46225	0.6
91.05462	1.8
91.71626	0.9
94.04175	22.7
95.04974	0.9
100.90524	0.6
107.04992	0.8
122.03637	33.6
122.08258	0.8
122.35436	0.7
135.04416	0.9
137.05969	100.0
139.57756	0.8
154.27916	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.79989	0.7
53.03924	0.7
54.16360	0.6
55.11851	0.8
65.03938	1.0
66.04696	3.1
67.05485	2.2
71.94466	0.7
79.05482	2.5
81.07040	8.1
85.29536	0.7
91.05456	2.6
93.07017	0.9
94.04184	19.3
95.04965	1.4
95.08608	6.5
95.95425	0.8
100.89943	0.8
107.04908	1.0
109.06536	1.1
117.47086	0.8
122.03639	35.2
137.05972	100.0
137.13251	1.3
151.56662	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	Benzylformate
Peak:m/z	Relative Intensity
53.03927	2.5
53.30181	1.4
57.35863	1.4
62.59439	1.4
65.03905	5.7
66.04694	2.7
67.05493	17.0
72.31470	1.4
74.46300	1.4
79.05500	8.9
81.03416	1.7
81.06609	2.6
81.07050	38.4
91.05472	89.9
93.07046	8.6
94.04172	14.8
95.04958	43.5
95.08598	13.3
107.04944	1.8
109.06534	8.5
109.10135	3.3
115.26376	1.8
119.04934	2.7
119.08518	2.2
122.03651	28.0
137.05966	100.0
137.09605	3.7
137.13229	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
56.96545	1.2
57.35855	1.0
66.04715	2.2
67.05468	2.3
67.83805	1.1
79.05484	2.5
79.99918	1.0
81.07045	7.1
91.05486	5.7
93.07024	2.0
94.04180	18.0
95.04961	2.2
95.08575	3.2
109.06500	3.8
122.03643	33.4
123.28522	1.1
130.89882	1.1
137.05965	100.0
152.65051	1.0
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
65.03922	1.3
66.04711	2.3
67.05487	1.3
69.03388	0.9
79.05488	2.1
81.07053	7.7
85.71320	0.9
91.05463	3.5
93.07016	1.3
94.04183	19.4
95.04971	2.1
95.08567	2.0
105.96826	1.0
109.06490	2.5
109.35018	0.9
115.93890	1.0
122.03642	33.5
137.05965	100.0
151.56163	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
62.30041	0.6
65.03917	1.3
66.04713	2.6
70.77247	0.5
79.05455	2.3
81.07049	1.2
82.34349	0.7
91.05445	2.4
94.04172	22.5
95.04907	1.0
104.04565	0.7
112.15380	0.7
122.03637	33.9
137.05966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.56424	1.1
53.03939	1.7
56.96549	6.0
57.03410	1.1
63.05074	1.1
65.03939	2.0
66.04706	2.8
67.05485	3.3
69.03426	1.7
79.05472	3.4
81.03416	2.2
81.07056	10.5
91.05482	14.0
93.07020	6.2
94.04178	22.0
95.04942	5.0
98.75076	1.3
105.04447	1.4
107.04956	1.9
107.30515	1.4
109.02812	1.6
109.06493	4.8
110.63255	1.2
122.03645	36.3
137.05952	100.0
137.09723	1.6
137.10732	2.0
137.53009	1.7
138.05481	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	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03933	1.6
55.05502	2.7
57.07074	6.3
64.49360	0.6
67.05501	11.6
69.07069	4.8
79.05489	6.5
81.07050	100.0
83.78404	0.7
91.05495	1.3
93.07050	2.4
95.08601	63.9
109.10180	3.9
124.67626	0.7
132.75319	0.8
137.13254	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	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03916	0.6
55.01873	0.7
61.00022	0.6
63.42848	0.7
65.03923	1.2
68.05013	0.8
68.75849	0.6
72.06001	0.8
93.04496	0.8
94.06558	12.7
96.04478	2.8
96.68382	0.8
99.01385	0.9
107.26308	0.8
110.06029	9.8
121.03969	2.3
127.93581	0.8
138.05492	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75270	0.6
67.05480	1.2
67.93050	0.7
71.13699	0.6
73.41676	0.7
92.04977	0.9
93.05775	1.3
94.06554	13.3
96.04486	2.5
110.06035	8.9
120.44695	0.7
133.07574	0.9
138.05492	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.00286	6.6
55.01853	2.5
55.05492	3.3
56.96556	24.9
65.03934	15.4
67.05477	4.0
68.99774	2.1
69.03409	1.4
69.75185	1.4
78.63295	1.5
83.04964	9.4
93.03388	3.7
95.04948	5.0
97.99177	2.7
109.78416	1.5
111.04420	14.5
121.02853	8.3
126.14751	1.8
139.03889	100.0
157.26274	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	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.00294	4.4
54.86819	1.1
55.01854	2.9
55.05499	2.4
56.96563	20.6
61.31099	0.9
64.22234	0.9
65.03928	9.0
67.01842	0.8
67.05481	4.4
68.99770	2.5
69.03429	1.2
83.04982	7.3
93.03381	5.0
94.95939	1.1
95.04952	1.8
97.02910	1.1
97.99175	2.6
101.97204	1.0
104.26534	1.0
111.04427	12.6
121.02855	6.0
127.27091	1.0
139.03897	100.0
143.02341	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	4-Hydroxybenzoate
Peak:m/z	Relative Intensity
53.00299	0.9
53.03952	2.8
55.01866	6.4
55.05507	38.7
56.96545	3.8
65.03934	33.9
67.05500	30.2
68.05027	1.6
69.03410	3.3
79.05477	2.6
82.04202	1.4
83.04974	100.0
93.03397	13.6
93.04492	1.6
93.07037	3.1
94.06557	10.1
95.04962	15.8
95.06065	3.1
95.06904	1.3
96.08114	4.6
97.02866	1.4
105.04491	1.6
111.04437	40.2
121.02892	6.5
121.04004	6.3
121.07625	2.6
122.06044	2.9
139.03920	32.8
139.04944	2.1
139.05864	10.1
139.07550	1.8
139.08644	6.6
140.03432	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	139.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90757	1.1
55.05289	1.4
55.05503	15.6
56.96557	100.0
59.04982	1.2
64.00690	1.5
65.03925	7.9
67.05496	13.5
69.03404	2.7
69.07059	16.4
71.04948	1.8
75.83093	1.5
79.05492	9.7
81.07054	17.6
83.04962	22.4
91.05473	2.6
93.03378	2.5
93.07030	19.7
95.04979	4.4
95.08598	24.9
97.06545	4.7
97.99181	5.9
98.98446	1.6
105.07026	2.2
111.04417	7.8
112.03992	1.5
116.00184	1.8
121.02930	2.2
121.10163	9.2
139.01761	2.3
139.03902	5.7
139.08441	1.6
139.11153	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	139.1117
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
52.90757	1.1
55.05289	1.4
55.05503	15.6
56.96557	100.0
59.04982	1.2
64.00690	1.5
65.03925	7.9
67.05496	13.5
69.03404	2.7
69.07059	16.4
71.04948	1.8
75.83093	1.5
79.05492	9.7
81.07054	17.6
83.04962	22.4
91.05473	2.6
93.03378	2.5
93.07030	19.7
95.04979	4.4
95.08598	24.9
97.06545	4.7
97.99181	5.9
98.98446	1.6
105.07026	2.2
111.04417	7.8
112.03992	1.5
116.00184	1.8
121.02930	2.2
121.10163	9.2
139.01761	2.3
139.03902	5.7
139.08441	1.6
139.11153	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	141.0546
Annotation	5-Methoxyresorcinol
Peak:m/z	Relative Intensity
53.03930	1.7
53.18089	0.7
56.96536	1.2
63.32992	0.7
65.03967	1.3
65.69817	0.8
67.01838	2.6
67.05488	1.7
68.99767	1.7
70.36736	0.9
75.91833	0.8
81.03408	14.3
82.01385	1.0
95.04939	3.8
98.03676	6.4
99.35435	0.9
100.02466	3.0
102.26006	1.2
109.02877	8.5
113.05999	2.9
115.38663	1.0
115.76994	1.0
118.03486	1.1
123.04382	3.4
126.03095	7.3
127.03889	3.7
141.05455	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.091
Annotation	7-Hydroxy-6-methylhepta-3,5-dienal
Peak:m/z	Relative Intensity
53.03934	1.3
55.05493	1.3
57.08626	0.7
67.05494	5.3
71.04980	100.0
76.82224	0.8
79.05470	0.9
81.03400	3.6
81.07039	3.2
95.04961	12.9
95.08583	8.8
99.04446	42.4
100.02470	5.0
101.15184	0.8
113.09595	1.3
117.70171	1.1
121.01532	0.9
123.04055	3.9
123.08047	6.3
141.01802	2.3
141.05396	2.2
141.09085	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23549	18.8
70.06573	40.9
78.01457	22.6
78.27492	24.2
81.53677	19.4
96.08127	39.0
100.03990	21.4
107.18061	21.1
119.01929	71.2
137.03021	23.3
142.03496	100.0
142.08636	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63062	1.8
55.62849	1.7
55.63121	1.8
57.36961	1.7
71.92088	1.9
83.01504	5.2
100.02499	4.0
101.00865	21.3
101.02516	10.6
101.61082	1.8
118.03508	3.4
119.01913	100.0
119.03660	4.1
123.04063	4.2
124.02460	11.1
124.04181	10.9
137.02943	23.8
140.20549	2.5
141.05016	4.2
142.03494	94.5
142.05167	3.8
160.04555	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	143.0815
Annotation	ectoine zwitterion
Peak:m/z	Relative Intensity
54.03468	1.2
55.01859	2.6
57.03424	4.8
61.02904	3.5
68.05019	2.5
69.03425	6.7
69.04534	1.3
70.06578	6.0
73.02902	4.7
73.98145	1.1
81.04532	100.0
82.01441	1.8
82.05311	3.6
83.06109	3.8
84.08134	1.4
85.02892	4.1
86.85390	1.2
95.06082	64.6
97.02892	5.8
97.07646	3.9
98.06030	4.9
98.09728	1.1
99.05572	3.8
100.02488	8.0
101.00877	2.5
102.00922	1.5
102.02225	3.7
104.88419	1.1
109.02884	1.7
110.04776	12.4
111.05524	7.0
118.03519	1.4
119.01904	7.4
119.02604	1.1
120.01998	4.6
123.04037	7.4
124.02452	4.0
124.04217	1.4
125.02357	2.2
125.03849	4.0
125.07111	74.8
126.09128	12.2
131.01872	2.8
141.05080	3.6
142.03517	8.2
143.01836	1.6
143.02252	1.5
143.03436	18.8
143.04811	2.4
143.08144	53.2
144.10191	3.9
154.03487	3.1
160.04533	1.8
164.04196	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	144.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15709	1.8
56.96560	2.9
57.78960	2.0
72.00462	2.0
77.98486	1.9
83.56683	2.0
84.99585	2.2
90.14787	2.2
96.58766	2.0
97.00784	5.9
102.02210	3.5
103.00640	15.0
103.02510	2.8
115.16815	1.7
119.01986	2.3
120.02340	7.5
120.03214	4.0
120.98009	2.1
121.00803	6.9
121.01660	97.4
125.03804	4.9
126.02177	14.0
139.01768	7.7
139.02698	23.8
143.03838	3.2
143.04834	5.0
144.02318	10.7
144.03253	100.0
144.17180	2.2
145.03670	2.3
150.49034	2.2
151.05840	2.0
160.58598	1.9
162.03368	10.5
162.04517	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	144.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37302	1.1
53.03932	1.2
56.05012	3.9
56.96553	4.4
59.45277	1.3
69.03416	2.6
70.06580	7.3
71.04980	2.3
71.12039	1.2
78.13205	1.2
81.03408	2.6
84.04514	6.4
84.08136	1.4
85.02881	4.7
91.71069	2.4
98.06051	32.5
98.09685	4.7
99.04449	4.8
103.05457	2.8
115.05453	1.4
117.07008	5.1
124.54456	1.3
126.05508	2.5
126.09136	2.0
127.03964	1.4
128.04926	1.4
143.07306	9.6
144.02272	1.4
144.03780	2.2
144.06587	7.7
144.08081	100.0
144.10233	3.9
145.06494	3.6
149.22398	1.3
155.06094	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	144.0808
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
53.03918	1.3
56.05015	3.5
56.96545	1.6
57.03428	1.1
60.04505	1.4
63.57669	0.8
69.03437	0.9
70.06585	6.8
71.04977	3.9
72.68459	1.0
84.04498	6.0
85.02878	4.1
98.06052	36.6
98.09676	7.0
99.04462	7.9
102.05531	1.8
103.05457	1.5
105.04343	0.9
115.05456	2.3
116.07095	1.2
117.05764	1.0
117.07010	4.8
126.05509	3.2
126.09118	1.5
127.03941	2.3
128.04941	1.1
137.38831	1.0
143.07281	7.1
144.02359	1.0
144.03705	2.3
144.06587	10.9
144.08080	100.0
144.10190	3.7
145.06500	2.3
146.06026	1.4
155.06071	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	144.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39132	2.4
55.05490	2.8
56.96556	69.9
57.07064	25.5
58.96155	4.5
60.95838	5.9
62.92962	5.7
69.07703	2.3
70.06548	5.9
71.04961	8.9
71.08576	2.6
74.06056	11.9
76.10664	2.8
84.04480	4.1
85.02914	5.6
88.02368	3.0
88.07617	55.1
94.26072	2.2
97.02863	2.3
97.99168	4.7
98.06053	29.1
98.09679	5.9
99.04464	15.8
102.09159	15.7
102.53577	4.8
103.05446	10.1
111.03919	4.6
116.07067	2.8
121.96664	3.5
122.54760	4.5
133.23717	2.8
135.00650	2.6
139.01825	4.8
144.06529	8.9
144.13828	100.0
144.98198	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	144.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.1
55.01858	2.4
55.05511	1.1
56.05020	2.7
56.96559	35.3
57.03420	1.6
58.96125	1.2
60.95831	1.1
62.92970	3.1
70.06588	7.9
71.04972	5.1
71.08618	13.9
72.04504	3.3
79.01817	2.5
81.03410	2.5
84.04484	4.9
85.02891	4.0
87.56279	1.2
89.95723	1.1
90.52630	3.2
90.82143	1.3
96.89379	1.1
97.35493	1.1
97.99175	2.5
98.06049	23.6
98.09684	3.4
98.18481	1.2
99.04444	15.8
99.08096	2.0
102.03417	3.0
102.09178	2.9
103.05463	4.1
103.62883	1.2
110.90147	1.2
111.03902	3.3
111.54108	1.6
117.76757	1.3
121.96606	3.2
123.04941	1.5
124.32542	1.3
127.03840	1.5
136.35306	1.5
144.03712	1.9
144.06552	7.5
144.08154	1.6
144.10182	2.4
144.13828	100.0
144.98235	4.7
145.04948	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	145.0495
Annotation	2-Methyleneglutarate
Peak:m/z	Relative Intensity
50.28223	1.0
53.03944	9.2
53.69077	1.0
55.01868	9.6
55.05478	1.4
56.05013	1.2
56.96563	1.9
57.03426	6.6
58.04837	1.1
69.03413	10.1
69.03716	1.2
70.06580	13.2
71.01321	1.4
71.04608	2.6
71.04983	38.9
71.06912	9.8
80.05016	1.6
81.03409	20.9
83.04981	2.3
85.02898	19.3
97.02904	4.6
99.04448	100.0
100.07604	1.8
100.11250	1.8
101.02396	2.7
112.08780	1.5
115.03937	1.7
117.74127	1.5
119.64320	1.3
127.03909	23.4
128.07076	1.9
145.04956	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	145.0496
Annotation	2-Methyleneglutarate
Peak:m/z	Relative Intensity
53.03946	8.1
55.01868	6.1
55.05526	1.1
57.03428	7.4
61.01160	0.9
69.03419	6.3
69.56094	0.9
70.24787	1.1
71.01353	1.3
71.04983	41.5
81.03412	20.2
85.02901	14.0
85.03374	1.5
97.02905	1.9
98.09244	1.0
99.04450	100.0
100.11292	5.1
101.02391	1.8
109.02924	1.3
115.03929	1.5
127.03919	25.2
127.04793	1.9
127.14442	1.1
145.04941	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	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	4.2
55.01853	3.5
57.03424	3.0
60.95849	13.8
62.92976	19.4
67.05476	1.9
69.03389	2.0
71.04978	19.9
81.03395	6.6
82.16433	2.3
85.02887	6.0
91.05441	7.0
91.71616	2.2
94.85899	1.8
99.04444	47.6
100.07650	2.0
101.77605	2.1
105.07028	35.5
115.05448	4.0
117.07004	14.2
121.96634	8.1
127.03905	14.4
129.07039	2.9
130.07765	19.6
143.08543	5.0
144.98221	19.0
145.04976	5.3
145.06467	2.2
145.10114	100.0
145.97079	2.2
161.97427	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	145.1223
Annotation	Ethyl caproate
Peak:m/z	Relative Intensity
51.94962	1.4
53.00301	3.2
53.03945	2.4
55.01857	2.0
55.05513	4.5
57.03423	3.3
63.11946	1.7
67.05487	7.9
69.03424	3.4
71.04982	19.8
71.08623	100.0
75.54882	1.6
81.03411	6.9
81.07056	2.9
85.02895	7.3
88.62151	1.7
91.71035	1.9
97.00249	1.7
99.04449	47.5
99.08086	36.6
109.10149	4.0
117.07023	2.4
127.03915	8.9
127.11187	16.4
138.84261	2.1
145.04984	5.1
145.10075	2.6
145.12427	2.3
156.03490	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	146.06
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
53.48658	1.7
55.05494	3.4
56.05022	2.4
56.96554	3.6
57.03415	2.1
67.05485	1.7
69.03413	2.6
71.04989	3.7
72.04484	2.0
80.05013	4.1
81.03411	9.5
82.06553	10.6
83.04974	9.2
84.04490	5.9
85.02874	3.2
86.06051	7.2
91.05473	18.3
99.04409	2.0
100.04793	6.9
100.07616	7.8
100.11243	6.7
102.00809	1.7
102.44658	1.5
110.06060	3.6
111.04436	6.5
117.05758	3.4
118.06532	100.0
128.07082	5.9
129.05530	3.9
146.03703	2.0
146.06027	22.3
146.08072	13.3
146.70428	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	146.06
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
50.88261	1.5
51.66919	1.3
54.04263	1.4
56.05036	2.0
56.96565	3.4
59.43312	1.4
68.31232	1.4
69.66618	1.6
70.74971	1.6
71.04992	2.8
72.04551	2.4
72.05348	2.5
72.08160	2.1
74.14226	1.5
75.28828	1.7
80.05009	3.5
81.03431	5.7
82.06586	7.6
83.05007	6.6
83.87867	1.4
84.04521	4.7
85.02891	2.0
86.06087	4.7
88.07326	1.6
91.05468	21.3
91.40019	1.7
99.04482	2.1
100.04825	5.7
100.07642	5.6
104.95690	2.1
110.06044	2.5
111.04491	2.6
117.05804	4.0
118.06530	100.0
127.54956	1.7
128.07127	7.4
142.88231	1.8
146.06033	21.6
146.08090	9.9
159.32764	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	146.1176
Annotation	N,N-dimethyl-L-Valine
Peak:m/z	Relative Intensity
56.05022	0.9
57.00249	0.5
58.06310	0.6
58.06594	12.6
63.27364	0.4
64.67121	0.3
69.07055	0.7
71.04977	0.7
72.08156	3.0
80.72308	0.4
81.03408	0.7
82.06561	1.2
83.04955	1.3
84.04485	1.2
86.06066	1.4
86.09686	3.2
100.07607	1.5
100.11246	100.0
101.20586	0.4
111.04478	0.6
112.11231	0.9
128.07082	1.0
132.31555	0.4
146.08067	1.0
146.11757	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	146.1652
Annotation	Spermidine
Peak:m/z	Relative Intensity
51.38395	0.4
52.78898	0.4
58.06595	8.4
72.08148	100.0
73.08484	0.9
74.07217	0.6
74.65170	0.5
75.09231	5.5
82.86003	0.6
84.08135	13.1
89.54811	0.5
102.02221	0.7
104.85078	0.6
112.11239	20.5
116.49020	0.6
121.01636	0.5
123.02126	0.6
129.13870	6.0
130.08658	1.4
146.03690	1.5
146.16527	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	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
52.09639	2.2
53.77517	2.6
54.11565	2.5
57.29601	3.0
57.96609	2.6
61.47058	2.4
64.18418	2.6
64.92784	10.3
65.03918	9.2
71.04941	2.8
84.04485	7.9
91.05470	96.8
119.04929	100.0
119.08553	20.9
123.96501	4.2
145.02841	2.7
146.98039	14.4
147.04402	60.3
147.05502	5.1
147.08040	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	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05493	1.7
56.05030	1.6
56.96536	2.4
59.21248	1.4
61.30740	1.4
65.03934	9.5
69.03408	3.4
69.62688	1.7
70.79952	1.4
72.08138	1.9
83.04955	2.1
84.04491	18.1
84.08100	1.7
85.02895	4.2
90.34039	1.4
91.05474	84.9
113.67093	1.6
119.04937	100.0
119.08591	4.7
119.64467	2.0
130.05003	6.5
147.04411	63.6
147.05426	2.9
147.08047	2.5
147.11723	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	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03925	1.6
55.05491	2.3
60.02589	1.4
62.42858	1.5
64.92783	6.1
65.03935	10.8
69.03418	3.8
69.07059	1.9
71.04959	3.7
83.04951	2.2
84.04489	34.9
84.08122	4.4
85.02868	4.2
91.05465	100.0
103.05484	2.2
105.07030	5.7
111.04385	2.2
114.23405	1.6
117.07014	6.2
119.04929	97.8
119.08575	20.7
119.67537	1.8
129.07056	5.5
130.05006	9.2
146.97990	4.5
147.04402	66.6
147.05411	2.5
147.08029	12.1
147.11693	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	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05482	1.1
56.59415	1.0
57.03408	1.6
64.95566	1.1
65.03934	9.6
69.03419	1.3
71.04998	5.7
74.97793	1.0
78.62255	1.1
83.04946	1.9
84.04498	10.7
85.02882	5.2
85.09268	1.1
91.05473	77.3
105.07003	2.0
119.04933	100.0
119.08568	3.3
130.04996	3.2
146.98012	1.4
147.04402	59.4
147.08034	1.5
147.11723	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	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
54.42517	0.9
55.17126	1.1
57.90344	1.2
62.45929	1.1
65.03931	6.4
71.10100	1.2
80.20863	1.2
91.05471	73.7
119.04932	100.0
121.18322	1.6
147.04398	69.4
165.29541	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	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	3.8
65.03949	9.9
69.03408	2.8
69.07049	4.5
71.04982	7.6
77.85697	1.7
80.31100	1.4
83.04965	2.4
84.04495	74.5
85.02870	5.3
90.09276	1.9
90.48582	1.8
91.05471	85.1
91.54714	1.8
105.07040	5.1
119.04935	100.0
119.08566	7.9
129.06915	1.7
130.04987	30.4
146.97990	2.7
147.03343	2.3
147.04398	68.6
147.08063	8.7
147.11702	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	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
54.45794	1.2
57.86081	1.2
64.81009	1.1
65.03938	9.3
69.62949	1.4
74.32221	1.4
80.47636	1.4
81.32198	1.2
84.04485	2.1
91.05473	81.6
100.76801	1.4
111.17094	1.4
119.04936	100.0
144.98979	1.5
147.04404	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.16458	1.4
52.72591	1.8
65.03928	8.3
81.93826	1.3
84.04487	6.8
84.70501	1.5
85.78796	1.5
91.05472	93.1
102.37251	1.6
118.86562	1.6
119.04933	100.0
119.08549	2.4
130.04970	3.1
147.04408	70.9
147.08099	2.2
163.54111	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	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
63.78845	1.2
65.03923	8.7
66.18871	1.3
67.32289	1.4
69.85136	1.3
72.57493	1.3
86.65292	1.4
91.05473	78.5
99.70997	1.5
119.04939	100.0
147.03214	3.1
147.04405	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.07841	1.7
54.58970	1.6
54.87960	1.7
55.05499	2.8
56.96547	4.5
64.35439	2.0
64.92795	7.2
65.03925	8.6
69.03422	4.5
71.04972	2.9
77.41842	1.8
81.39668	2.3
83.04967	5.3
84.04495	31.4
84.08126	4.5
85.02863	5.8
91.05472	100.0
91.06044	5.1
91.71011	3.8
105.07034	4.8
119.04936	71.7
119.05788	5.0
119.08581	14.2
123.96425	2.8
130.05016	8.9
146.98073	8.4
147.04416	53.7
147.05525	3.4
147.08067	8.6
147.09140	3.0
147.11693	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51779	1.1
55.05495	2.3
56.96539	2.0
57.03415	1.4
58.25862	1.0
64.92793	3.0
65.03937	9.1
67.38773	1.1
69.03406	6.2
83.04948	4.9
84.04491	21.1
84.08083	1.3
85.02888	2.3
88.24219	1.3
91.05469	86.3
91.71726	1.4
102.15433	1.2
111.04433	2.1
112.10448	1.6
119.04932	100.0
119.08581	7.4
122.86704	1.4
130.04991	10.0
130.08568	1.4
135.77299	1.4
146.98026	3.5
147.04404	62.2
147.05412	2.9
147.08034	5.6
147.09143	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	147.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89419	0.3
56.05024	3.0
68.51999	0.3
70.06553	0.4
72.08150	1.2
73.08482	0.9
75.70167	0.3
84.04496	100.0
84.08138	8.5
85.02888	1.3
87.06392	0.4
98.31396	0.4
101.07140	3.5
102.05542	2.8
109.76357	0.4
127.83971	0.4
130.05000	38.5
130.08624	2.2
147.07597	2.0
147.09563	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0764
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
56.04804	0.3
56.05030	3.6
56.19629	0.2
58.74534	0.6
59.65494	0.2
72.08147	0.7
73.10806	0.3
84.04496	100.0
84.08125	0.4
85.02890	1.1
88.42870	0.3
101.07135	3.1
102.05528	3.3
115.68257	0.3
130.04997	34.0
138.28497	0.3
140.46754	0.4
147.07674	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	147.0764
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
51.23195	0.3
55.05475	0.4
55.54892	0.4
56.05039	2.4
58.74539	0.7
66.62191	0.4
69.07066	0.5
83.04983	0.3
83.18954	0.4
84.04496	100.0
84.08131	0.5
85.02895	2.2
86.12106	0.4
91.05470	1.8
91.71680	0.9
97.52905	0.4
97.55666	0.3
101.07131	4.5
102.05548	4.0
106.73621	0.4
119.04963	1.3
119.08595	0.6
130.04997	48.4
147.04437	0.7
147.07590	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	147.0764
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
50.62484	0.4
55.01852	1.4
55.05489	0.5
56.05025	3.5
56.96564	0.5
58.74525	0.7
64.92788	0.5
65.03904	0.5
67.05497	0.6
69.03420	0.5
69.07060	7.6
71.24290	0.4
73.00607	0.5
73.06543	0.5
75.57050	0.4
83.04971	0.6
84.04493	100.0
84.08124	2.4
85.02891	1.4
87.08084	4.6
91.05473	7.4
91.71582	0.8
101.01698	0.4
101.07119	3.6
102.05527	4.1
102.88349	0.5
105.07034	1.3
119.04924	3.4
119.08571	2.9
129.07018	1.4
130.04996	37.4
130.08638	0.6
143.75630	0.5
147.04405	2.7
147.07994	4.5
147.11684	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0804
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
51.38434	1.8
52.02720	1.8
52.12289	2.1
54.91710	2.0
55.01864	5.5
64.92796	2.6
65.03945	2.9
74.05263	2.3
79.05500	5.2
91.05468	100.0
93.07014	2.3
95.04987	3.5
103.05491	7.0
104.06299	3.4
105.07050	7.3
108.91999	2.3
115.05460	3.6
117.07010	29.4
117.07658	2.5
119.04974	4.3
119.08571	97.6
123.96414	2.8
130.27443	2.3
132.05786	3.2
147.04445	4.4
147.08031	24.0
162.91747	2.4
166.21820	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	147.0804
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
50.10760	2.5
54.88352	2.7
55.01845	10.8
64.92791	3.2
64.95522	3.3
65.89945	2.8
69.03394	4.3
71.93684	2.7
79.05496	4.0
81.03425	3.0
84.04483	5.8
91.05478	55.0
105.07014	5.1
107.04941	5.7
117.07011	9.4
119.04916	7.6
119.08555	31.1
123.96484	2.9
128.06226	11.8
129.06973	13.9
129.21506	2.6
130.05040	3.2
132.05717	9.5
146.98015	6.7
147.04419	5.8
147.08035	100.0
150.09592	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	147.0804
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
53.00303	1.9
54.02064	1.6
55.01867	20.3
55.05514	4.6
56.96529	1.9
58.06583	2.2
59.05001	10.0
60.04531	2.1
65.03922	5.2
67.05500	3.1
69.03413	5.2
69.07059	100.0
72.08145	1.8
73.06541	9.6
79.05477	3.7
81.03414	5.7
83.04965	3.1
84.04498	23.4
85.02886	3.2
87.08095	63.6
91.05468	69.6
103.05440	4.2
105.07021	10.6
107.04940	5.4
110.09694	1.8
111.04424	1.8
111.59039	1.7
115.39820	2.0
117.07011	7.5
119.04926	36.2
119.08570	32.3
128.06174	2.0
128.10725	2.9
129.06978	24.7
130.05022	6.0
132.05719	4.7
138.55096	1.9
147.04416	20.3
147.08041	52.5
147.09193	3.6
147.11711	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	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
51.60973	1.1
52.48197	1.0
55.05503	8.9
61.73200	1.3
64.92786	2.5
69.07050	1.3
79.05491	2.1
81.07061	1.7
84.04525	1.9
91.05474	18.2
93.07011	2.2
100.69895	1.3
103.05486	2.4
105.07026	72.8
115.30818	1.3
117.07021	3.4
118.13474	1.5
119.04917	4.7
119.08575	50.4
138.70107	1.5
145.10118	4.4
146.98006	3.9
147.04420	3.6
147.11679	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
51.99251	2.6
55.05516	6.7
60.04593	2.8
64.92813	13.6
65.03952	4.0
67.05514	12.4
68.11022	3.0
69.07069	4.7
79.05499	13.5
81.07064	6.9
84.04523	10.0
91.05473	78.6
93.07005	5.7
98.59252	3.9
105.07027	100.0
105.07664	6.4
117.07036	6.3
118.16102	3.2
119.04974	11.4
119.08575	61.8
119.09346	5.0
123.96520	7.9
139.50220	3.7
146.98035	21.2
147.04436	8.9
147.08086	11.3
147.11679	67.9
147.12776	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	149.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81291	1.7
57.43569	1.5
62.95536	1.6
65.03649	2.7
65.03934	27.9
65.63138	1.8
66.69283	1.7
75.74805	2.0
93.03414	10.2
107.86218	2.3
111.04448	8.2
121.02856	40.5
121.03954	9.6
149.02333	100.0
157.92125	2.0
168.05878	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	149.0598
Annotation	trans-Cinnamate
Peak:m/z	Relative Intensity
51.02369	0.9
53.03938	1.4
56.96555	7.0
57.03409	1.4
59.28511	0.8
60.51038	0.9
64.17394	1.1
65.03923	3.6
69.03417	1.6
71.04969	2.0
72.00829	0.9
73.02911	1.1
77.03888	1.5
79.05483	55.0
80.05006	2.8
80.48470	1.0
81.03407	2.7
82.69607	1.0
83.04953	1.2
84.04482	1.9
85.02906	2.1
85.04816	4.9
91.05486	5.2
93.07034	12.6
95.04966	11.5
103.05457	100.0
104.05759	1.3
105.04501	2.2
105.07033	2.9
107.04944	60.4
108.04480	4.4
109.53413	1.1
118.06579	2.3
121.02870	4.4
121.06512	11.6
121.07392	1.6
126.05518	1.9
131.04918	41.4
131.05925	2.0
144.08083	4.0
149.02364	9.9
149.05980	6.2
149.07091	8.9
149.10558	2.1
149.11690	6.7
150.05504	4.1
153.20816	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	trans-Cinnamate
Peak:m/z	Relative Intensity
50.01562	0.7
51.02376	0.7
52.02294	0.5
53.03929	0.7
53.53652	0.5
56.96542	1.2
58.37048	0.5
65.03937	1.1
77.03908	1.7
79.05486	64.0
81.03421	0.9
84.04465	0.7
85.04826	1.5
86.04503	0.8
91.05457	0.8
93.03413	0.8
95.04961	11.5
103.05463	73.3
105.04515	2.2
105.07026	2.0
107.04948	80.8
108.04502	0.8
108.05296	0.6
118.06541	1.9
121.02872	1.8
121.06486	1.2
131.04922	100.0
132.04332	0.8
132.05301	0.9
136.79732	0.7
144.08121	4.5
146.29623	0.8
148.07555	1.6
149.02341	5.0
149.06061	1.7
149.07118	2.9
149.11641	0.9
150.05489	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
55.05491	8.2
56.96545	3.3
65.03925	10.4
69.03413	8.4
79.05479	15.5
81.03409	44.6
81.07047	100.0
83.04990	2.8
91.05472	21.1
93.07021	23.9
95.04966	6.8
105.06982	4.1
107.04929	6.6
107.08582	3.2
116.06255	2.6
119.49195	2.9
121.02880	9.9
121.06512	6.7
121.10131	5.8
126.05524	4.0
129.07002	3.0
130.53937	3.0
131.08568	21.7
149.02322	24.4
149.06023	5.8
149.07095	5.1
149.09621	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	5,6,7,8-Tetrahydro-2-naphthol
Peak:m/z	Relative Intensity
50.82914	2.0
52.38471	2.3
52.88599	2.0
55.01853	11.3
56.96531	3.5
65.03934	15.8
74.65716	2.5
78.07703	2.4
79.05482	4.8
79.28953	2.6
80.05009	2.3
80.70203	2.4
82.66277	2.1
85.05229	2.6
91.05482	19.4
91.71032	3.7
93.03407	3.6
93.07028	21.1
95.04946	4.7
97.48090	2.5
103.05439	4.0
105.07038	6.1
107.08583	6.0
108.04462	4.5
109.55851	3.0
111.04446	4.2
116.06219	3.7
119.08613	3.6
121.02868	16.9
121.04002	4.6
121.06496	100.0
121.10129	8.9
129.21219	2.8
131.08574	9.4
149.02347	47.6
149.03513	4.2
149.06001	6.5
149.09616	33.9
149.10690	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	149.0961
Annotation	5,6,7,8-Tetrahydro-2-naphthol
Peak:m/z	Relative Intensity
53.00292	1.3
53.03938	1.8
55.01864	10.2
55.05497	4.3
57.03404	1.0
65.03920	3.7
69.03423	8.5
79.05476	13.6
80.54089	0.8
81.07040	2.9
81.20607	0.9
89.34535	1.0
91.05467	32.5
93.07031	28.8
95.04942	9.7
103.05455	4.1
105.04518	1.6
105.07016	13.6
106.07813	0.9
107.04944	76.0
107.08580	16.2
108.04538	0.8
109.06508	9.1
115.05437	2.6
116.06215	6.2
118.06524	0.9
119.06033	1.0
119.08558	2.5
121.02856	2.3
121.06495	100.0
121.10131	11.0
128.94348	0.9
129.07011	3.5
131.08556	20.1
133.06473	2.0
134.07236	3.7
134.80264	0.9
141.82590	0.9
148.07549	0.9
149.02330	5.9
149.05943	1.7
149.09607	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
55.01859	17.3
59.36107	3.1
60.95690	3.3
62.85516	3.8
65.03934	16.7
69.03425	3.7
79.05483	7.9
91.05477	27.2
93.03413	6.2
93.07027	18.3
105.03419	4.0
105.07042	8.2
106.79173	3.7
107.04962	15.7
107.08559	3.9
108.04485	5.2
109.86906	4.9
116.06256	8.4
121.02882	16.1
121.06518	8.3
121.10140	6.9
123.81297	4.2
126.05541	4.5
129.06926	6.9
131.08546	58.4
140.48250	4.2
141.82881	4.1
149.02357	32.2
149.05965	7.2
149.07114	8.3
149.09625	100.0
149.10776	9.3
164.83771	4.2
169.41849	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	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
55.01868	25.9
55.05490	5.5
56.96544	6.2
57.03439	3.9
65.03931	36.5
69.03424	7.0
74.70454	4.4
79.05485	22.7
79.74722	4.7
91.05463	48.6
91.71606	5.7
92.50522	4.8
92.83846	4.7
93.03407	6.1
93.07037	49.8
95.04944	10.8
103.05437	12.0
105.07029	33.0
107.04940	53.3
107.08579	26.6
108.04505	8.5
109.06510	8.2
111.04443	8.6
116.06216	9.6
121.02869	42.4
121.03990	12.6
121.06482	43.6
121.10133	32.6
126.05547	5.9
131.08554	31.9
149.02332	100.0
149.03511	5.2
149.05984	12.4
149.07072	12.3
149.09613	73.6
152.17363	5.5
164.60994	5.3
166.69894	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	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
52.97905	1.3
53.03947	2.4
55.01884	1.9
55.05514	4.1
56.96576	1.2
57.03428	1.8
62.67730	1.4
65.03650	1.5
65.03925	6.9
67.05504	1.9
69.03423	8.0
69.07063	1.4
74.95502	1.0
75.33707	1.2
76.70692	1.3
79.05492	12.5
81.03413	26.6
81.07049	100.0
91.05487	13.5
91.05991	1.8
93.07031	16.5
95.04992	3.9
103.05484	2.2
105.07077	5.0
107.04920	7.1
107.08625	4.7
108.04489	1.8
114.58807	1.2
121.02899	5.5
121.06530	3.2
121.10174	4.9
126.05526	1.4
129.07043	1.7
131.04955	2.1
131.08574	12.1
149.02330	16.4
149.06078	2.7
149.07175	4.8
149.09621	14.3
149.13316	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	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.42993	4.3
52.17862	4.6
53.03953	4.7
55.01887	6.4
55.05507	10.3
58.33248	4.6
63.31411	4.2
65.03936	23.7
67.05496	31.0
69.07057	18.6
79.05486	54.2
80.46853	5.2
81.07053	70.1
81.20202	5.2
84.62244	4.8
85.81554	4.7
91.05471	23.6
93.07037	100.0
95.04966	11.6
95.08594	14.9
105.07047	7.1
105.55716	6.1
107.04952	47.6
107.08592	77.7
108.04429	6.1
110.76967	5.1
111.04433	7.2
121.02884	25.6
121.10111	29.5
126.05532	12.4
128.48225	5.0
130.27054	5.1
131.08595	9.1
149.02348	54.6
149.07132	12.9
149.09650	42.3
149.10730	9.6
149.13255	73.9
150.05467	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	150.0583
Annotation	D-Methionine
Peak:m/z	Relative Intensity
56.05029	100.0
57.03419	4.2
60.19896	1.3
61.01141	69.0
64.94834	1.1
67.05514	1.2
69.03397	2.2
71.04975	2.6
73.54549	1.3
74.02427	7.3
74.06077	9.6
80.05002	9.2
81.03418	8.9
84.04498	7.8
85.02892	5.4
86.03665	2.1
86.04894	2.8
86.09683	1.4
87.02678	13.2
89.21871	1.2
91.71603	2.1
94.06551	3.0
95.04963	2.2
99.04469	1.5
100.02469	3.2
100.05216	1.6
102.05544	22.1
103.03538	1.1
104.05319	69.0
105.03766	1.6
105.06998	1.6
108.04466	17.0
118.03382	1.6
122.06022	2.8
123.04044	3.0
124.04122	2.4
127.25871	1.4
133.02173	2.6
133.03175	46.1
142.03421	1.6
143.04883	1.7
150.05508	31.9
150.07755	4.6
150.09138	6.6
158.55556	1.4
164.04337	2.2
165.05106	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	150.1277
Annotation	N,N-Dimethylphenethylamine
Peak:m/z	Relative Intensity
58.06589	6.9
65.13201	0.5
67.41875	0.5
79.05511	2.9
95.04951	1.4
103.05453	2.4
105.07023	100.0
106.07411	0.8
115.47854	0.5
146.09641	1.5
150.12770	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	151.0388
Annotation	Piperonal
Peak:m/z	Relative Intensity
55.05597	2.0
59.97440	2.4
67.05478	3.5
74.57610	2.3
77.03907	8.6
81.06970	3.1
83.29304	2.3
91.71583	4.1
93.07021	3.4
95.04965	6.5
105.03358	17.1
105.07016	2.7
108.88078	2.8
110.02019	6.9
113.96394	9.4
115.33099	3.1
115.93196	2.5
128.90416	2.9
140.23865	3.0
151.02678	5.1
151.03896	100.0
151.05090	5.7
151.08630	5.0
154.99045	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	151.0389
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
53.39532	2.5
55.01862	4.8
55.57220	2.5
56.96549	6.8
57.23738	3.2
58.36929	2.6
61.28972	3.0
63.29733	2.8
65.03925	16.1
67.05495	17.2
67.27797	2.8
67.68397	3.0
74.27734	3.1
79.05473	3.2
81.07052	6.3
81.60835	3.8
82.73330	3.1
91.05469	13.5
91.71643	6.7
93.07025	9.7
95.04942	16.3
95.08610	4.2
105.07012	10.6
107.04956	9.8
107.08578	7.0
108.02052	20.0
109.06520	8.9
111.04440	6.6
119.04980	3.6
121.03958	3.5
121.06483	15.9
123.04395	6.4
123.08054	5.0
141.05486	22.3
151.03905	100.0
151.05038	33.6
151.07542	22.8
151.11229	5.2
167.91812	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	151.039
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
55.01859	24.5
56.96547	19.0
65.03925	12.7
67.05486	15.4
79.05476	16.7
79.41554	3.8
81.07037	29.0
91.05473	59.5
93.07037	6.5
95.04950	36.2
95.08591	13.0
98.66554	3.9
98.97578	9.0
103.05466	8.9
105.07013	87.1
107.04944	17.2
108.02049	4.0
109.02908	4.0
109.06525	33.4
116.98734	5.5
119.04956	9.7
121.06481	46.6
123.04414	100.0
123.08077	4.9
133.02846	20.2
133.06474	10.5
136.12469	3.8
140.00188	7.3
151.03897	45.7
151.07524	33.6
151.08641	9.5
158.01266	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	151.039
Annotation	2-Carboxybenzaldehyde
Peak:m/z	Relative Intensity
52.20574	1.3
52.87679	2.0
53.03935	1.6
55.01853	2.3
56.96542	6.7
57.03402	2.3
67.05486	5.2
73.02901	2.0
77.67886	1.6
79.05487	1.9
81.03405	1.8
81.71015	1.8
88.22062	1.6
91.05476	12.9
91.71012	1.8
93.07034	4.3
93.07984	1.7
95.04957	14.7
95.08588	2.6
103.05435	1.8
104.89616	1.7
105.03384	46.1
105.04478	2.2
105.07022	7.5
107.04951	16.3
109.06502	3.4
119.04961	6.1
119.16940	1.8
121.06487	15.1
123.04424	6.0
123.08119	2.6
124.59565	2.2
133.02861	4.2
143.06766	2.2
151.03903	100.0
151.07530	4.2
151.08652	2.9
158.01265	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	151.039
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.35326	2.6
55.01880	5.0
56.96577	9.8
57.03444	3.4
63.96288	2.8
67.05491	19.8
68.61549	2.9
68.95288	4.7
69.03442	3.2
70.41116	2.8
75.06602	3.2
79.05496	6.6
81.03425	4.7
81.07075	10.2
91.05502	10.8
93.07050	5.6
95.04949	21.6
95.08633	6.6
98.21046	2.9
105.03399	4.4
105.07025	20.7
106.06624	3.6
107.08604	7.2
109.04873	3.8
109.06528	5.9
109.10189	4.6
123.04425	100.0
123.05306	5.2
123.06400	3.5
123.08105	6.7
133.02916	14.3
133.06615	3.0
150.98238	3.1
151.03926	48.9
151.05974	6.9
151.07600	7.6
151.08669	6.1
151.11221	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	151.039
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
53.03913	2.3
53.90223	2.1
55.01861	6.1
56.96550	10.0
57.07087	2.3
58.37057	2.3
65.03935	19.1
65.54237	2.9
67.05493	17.3
72.47798	3.2
77.03950	3.3
79.05467	6.0
81.03417	4.1
81.07044	9.4
91.05470	74.5
93.07027	5.2
95.04959	19.4
95.05481	3.5
105.03393	7.3
105.07022	12.0
106.07391	5.3
107.04944	31.7
107.08586	5.4
108.02115	16.9
108.05729	5.6
109.06466	3.8
109.49691	3.6
111.04384	4.0
119.04942	33.8
121.06515	12.1
122.48822	3.2
123.04417	13.4
123.08060	4.2
133.10101	4.2
134.06055	3.0
136.05246	6.6
141.05440	14.6
149.05968	3.4
151.03920	100.0
151.05029	19.4
151.07526	84.5
152.04285	3.4
160.07544	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	151.0754
Annotation	4-Vinylguaiacol
Peak:m/z	Relative Intensity
53.03926	2.9
53.55782	2.1
55.01832	2.1
55.05503	2.8
55.91926	2.0
56.96555	4.1
59.04988	2.3
65.03928	4.5
67.05478	10.5
69.03387	3.3
71.30329	3.0
74.76263	2.0
76.06465	2.0
79.05464	10.9
80.06275	3.7
81.07048	35.6
82.66231	2.2
83.04958	4.9
91.05475	51.5
93.07036	54.6
95.04955	24.2
95.08584	2.6
103.05444	2.3
105.04464	2.9
105.07020	27.6
106.07345	2.6
107.04945	36.9
107.08579	26.8
108.05707	7.5
108.27378	2.7
109.06509	15.2
109.10149	7.3
119.04918	13.5
121.06503	3.4
123.04399	5.9
123.08070	5.0
123.11665	8.5
133.10115	9.9
135.04395	6.3
136.05121	4.3
151.03886	10.7
151.07527	100.0
151.11156	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	151.0754
Annotation	2-Phenylethyl formate
Peak:m/z	Relative Intensity
50.07089	2.7
51.63252	2.9
53.03947	3.6
55.05489	10.8
56.96570	6.3
65.03919	7.6
67.05493	64.7
70.89990	2.8
79.05484	8.0
81.03413	6.0
81.07040	17.3
88.23809	2.6
91.05468	15.7
91.71103	4.9
93.07018	25.2
93.67423	3.2
95.04951	25.4
95.08604	55.2
103.05488	4.9
105.07021	36.2
107.04924	16.1
107.08613	3.7
108.05745	40.5
109.06524	9.1
110.06055	3.5
111.04416	5.7
117.11702	3.3
119.04954	5.4
121.06519	18.2
123.04475	8.8
123.08057	25.7
137.73763	3.2
151.03918	15.4
151.07529	100.0
151.11205	9.0
168.99995	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	151.0754
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
51.87693	2.1
53.49570	1.8
61.14050	2.1
65.03920	5.4
74.60936	2.3
77.09697	2.6
79.05510	2.7
91.05466	100.0
95.04938	12.5
105.07027	5.3
107.04942	6.9
110.86488	2.1
116.38579	2.3
119.04938	40.1
121.06506	7.4
123.08088	3.1
133.06483	2.6
136.05208	9.7
137.05981	4.4
139.25977	2.8
149.48701	2.5
151.03923	3.6
151.07521	54.6
153.95053	2.5
160.07558	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	151.0753
Annotation	875-59-2
Peak:m/z	Relative Intensity
52.51957	0.7
55.86256	0.7
71.32732	0.8
78.04713	1.4
79.05474	2.7
80.00838	1.1
80.06245	3.6
83.04536	0.9
90.04689	3.0
91.05463	10.6
95.04951	2.1
105.03371	3.2
106.04137	2.0
107.04948	33.6
108.05730	11.4
109.06497	1.8
118.04166	2.2
119.04864	1.3
133.60214	1.1
135.04407	7.5
135.71581	1.1
136.05188	3.5
151.07529	100.0
151.56197	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	2-Phenylethyl formate
Peak:m/z	Relative Intensity
52.47872	1.2
53.03937	2.5
55.01867	26.4
55.05495	2.7
56.96350	1.3
56.96563	17.3
57.03428	5.0
61.02904	2.5
65.03932	6.1
67.05493	12.5
68.95284	2.2
69.03403	5.2
73.02910	4.2
75.17558	1.3
79.05489	23.0
80.05001	2.1
81.03393	9.0
81.07050	34.0
82.36227	1.6
85.02877	2.3
86.15896	1.8
91.05474	46.1
93.07038	4.3
94.06546	2.5
95.01324	6.0
95.04961	14.0
95.08595	17.2
97.99170	3.1
98.97575	7.1
103.05466	8.0
105.03394	2.7
105.07027	100.0
106.06528	2.8
106.07735	1.5
107.04961	11.8
107.08614	3.5
108.04510	1.9
108.08144	2.0
109.02878	2.7
109.04813	4.9
109.06512	41.8
116.98650	2.2
119.04952	5.0
123.04462	10.7
123.08102	9.4
123.08924	1.8
127.03868	1.7
133.06465	13.4
133.10107	2.5
140.00232	3.4
151.03951	13.2
151.05865	10.5
151.07549	17.2
151.08672	8.1
166.86040	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	151.1118
Annotation	Carvacrol
Peak:m/z	Relative Intensity
55.01832	4.0
57.07058	5.4
59.04991	15.4
59.32352	2.7
59.97921	2.1
65.01194	2.5
65.03938	2.8
67.05499	19.7
69.03415	7.2
69.07056	55.3
79.05470	6.0
80.04961	2.6
81.07048	38.8
91.05470	9.8
93.07034	9.4
95.04957	19.0
95.08605	10.2
105.06997	14.5
107.08600	5.1
109.06510	100.0
109.10155	19.5
119.04987	3.2
121.06502	15.1
123.08048	8.9
123.11713	25.6
133.10091	6.3
151.03954	3.8
151.07571	16.4
151.11174	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Lyratal
Peak:m/z	Relative Intensity
51.79299	2.2
55.01860	3.7
56.96559	3.3
57.03442	2.6
65.03925	5.0
67.05495	15.4
69.03400	5.2
70.28358	2.4
71.04986	4.5
79.05476	7.4
80.06287	3.7
81.07042	39.0
83.04958	7.0
91.05466	62.3
91.71068	3.8
93.07037	100.0
93.07633	5.7
95.04969	24.6
95.08600	7.3
103.02535	2.6
105.07031	26.3
106.07363	3.4
107.04941	30.6
107.08587	31.9
108.05756	7.8
109.06497	19.7
109.10155	9.0
119.04951	13.9
121.06504	15.7
121.10087	3.3
123.04457	5.0
123.08100	9.2
123.11706	11.3
124.85185	2.8
133.10083	19.3
136.05222	3.0
151.03897	7.5
151.07530	81.6
151.11174	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
51.56475	4.9
55.01850	5.7
56.96542	17.6
57.07067	6.5
57.53076	6.0
64.05109	4.7
65.03922	10.2
67.05499	39.5
69.03424	33.6
69.07059	13.3
72.75424	4.4
73.02919	5.4
74.56254	4.5
75.88748	4.8
78.46449	4.8
79.01879	4.3
79.05474	22.7
81.06596	8.2
81.07046	80.6
91.05472	83.2
93.07032	55.8
95.04963	40.7
95.08607	17.2
95.73167	4.7
105.03421	5.0
105.07021	50.4
106.07365	11.2
107.04940	35.3
107.08584	61.3
109.06498	47.8
109.10152	45.6
119.04895	35.2
121.06467	31.9
123.04430	19.8
123.08088	15.3
123.11703	26.2
133.10106	31.5
140.00200	8.0
144.08011	5.8
151.03903	20.1
151.07545	64.6
151.08604	9.4
151.11163	100.0
152.07050	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	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
57.07045	5.7
62.27552	2.9
65.03924	5.6
66.83960	2.5
67.05489	14.2
68.69723	2.7
69.07067	2.8
70.88029	2.6
79.05471	4.9
80.23576	2.7
81.07042	31.4
91.05454	19.6
93.07039	17.2
95.04939	11.3
95.08587	6.7
105.07063	15.7
107.04941	11.6
107.08600	17.1
108.05718	2.8
108.18861	3.0
109.06506	10.7
109.10159	15.3
119.04989	4.2
121.06522	14.0
121.10131	8.6
123.04424	5.3
123.08035	3.9
123.11697	14.5
133.10155	10.6
151.03934	7.7
151.07524	14.6
151.11169	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79299	2.2
55.01860	3.7
56.96559	3.3
57.03442	2.6
65.03925	5.0
67.05495	15.4
69.03400	5.2
70.28358	2.4
71.04986	4.5
79.05476	7.4
80.06287	3.7
81.07042	39.0
83.04958	7.0
91.05466	62.3
91.71068	3.8
93.07037	100.0
93.07633	5.7
95.04969	24.6
95.08600	7.3
103.02535	2.6
105.07031	26.3
106.07363	3.4
107.04941	30.6
107.08587	31.9
108.05756	7.8
109.06497	19.7
109.10155	9.0
119.04951	13.9
121.06504	15.7
121.10087	3.3
123.04457	5.0
123.08100	9.2
123.11706	11.3
124.85185	2.8
133.10083	19.3
136.05222	3.0
151.03897	7.5
151.07530	81.6
151.11174	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0568
Annotation	Guanine
Peak:m/z	Relative Intensity
68.98570	1.2
74.77934	1.2
80.12148	1.1
91.34058	1.2
96.50040	1.3
99.65660	1.3
110.03531	11.3
124.07675	1.5
128.04572	6.2
135.03027	10.9
152.05678	100.0
153.04077	38.2
154.62256	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	152.107
Annotation	N-Methyltyramine
Peak:m/z	Relative Intensity
50.01588	0.7
51.02369	0.6
53.03926	0.5
65.03929	0.6
65.34675	0.4
77.03913	1.4
82.30331	0.4
91.04224	0.4
91.05466	7.8
93.07036	11.5
95.04956	6.6
102.04662	0.5
103.05466	8.1
105.04514	1.1
118.06509	0.8
121.06498	100.0
127.57447	0.4
144.07994	0.4
152.10719	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	152.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
57.02306	0.3
71.52520	0.3
77.03931	0.9
91.05463	5.6
93.07037	12.5
95.04967	3.6
103.05463	8.3
105.04498	0.8
113.92332	0.3
118.06527	0.6
121.06497	100.0
122.06797	0.4
134.06018	1.3
150.80489	0.3
152.07100	0.3
152.10716	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	153.0545
Annotation	Isovanillin
Peak:m/z	Relative Intensity
50.14630	1.9
52.34336	2.2
55.05489	2.5
56.66484	1.9
56.96541	4.0
57.88550	1.8
63.43662	1.8
65.03936	11.0
67.05474	7.5
69.07043	7.4
79.05468	5.2
79.73179	1.9
81.07040	3.2
83.04960	3.0
91.05477	2.2
93.03391	2.5
93.07041	5.6
95.04948	4.8
95.08596	3.9
97.06487	3.6
106.74683	1.9
107.04936	2.9
107.08580	6.7
109.10155	6.7
110.03650	32.7
111.04443	16.6
111.96857	2.9
121.06492	8.7
122.06823	16.0
123.04411	2.7
125.05980	9.1
134.05998	5.6
138.03088	31.0
152.99492	2.2
153.05460	100.0
153.06525	4.3
153.12666	4.8
163.11459	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	153.0547
Annotation	4-Hydroxyphenyl acetate
Peak:m/z	Relative Intensity
53.03933	1.2
55.01857	4.7
55.05490	4.3
56.96546	6.1
57.03419	1.8
65.03930	73.3
67.05489	5.2
69.03418	3.1
69.07037	4.1
71.04976	2.5
79.05491	7.2
81.03406	1.7
81.07050	4.2
83.04969	4.8
84.04520	1.4
85.02892	2.1
91.05486	2.5
93.03410	14.2
93.07032	6.1
95.04958	4.0
95.08592	8.6
97.05978	2.0
97.06513	10.1
105.07067	1.5
107.04916	7.2
107.08586	5.9
109.10152	2.0
110.03636	10.3
111.04431	100.0
111.08074	2.9
125.05984	54.4
128.31805	1.3
134.06003	29.8
135.08078	2.8
135.11685	2.9
136.03941	1.7
153.05470	17.1
153.06587	5.3
153.09100	2.9
153.12804	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	153.0909
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
55.05494	15.0
56.96555	4.6
57.07053	5.2
57.44936	3.9
58.25053	3.9
59.04988	4.3
65.03921	15.4
65.61128	4.2
65.85665	4.7
67.05499	6.1
69.03433	5.7
71.95246	6.8
79.05495	8.7
81.03422	6.8
81.07057	5.1
81.66119	4.5
83.04972	27.5
91.05480	6.0
93.07021	7.1
97.02852	6.2
107.04969	4.6
107.08586	14.8
110.03655	21.7
111.04435	85.0
121.06470	6.9
122.06855	30.6
138.42354	4.8
140.81448	5.7
153.05466	10.5
153.09085	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	p-Mentha-1,8-dien-4-ol
Peak:m/z	Relative Intensity
55.05493	11.0
56.96549	4.0
57.03445	4.7
60.31018	3.8
65.03924	17.0
67.05502	34.5
69.07066	47.4
69.24779	3.9
76.33104	4.4
79.05465	24.5
81.07037	33.3
83.04956	6.5
91.05428	5.3
93.07040	36.5
95.08594	17.1
97.06531	15.5
106.92662	5.0
107.08587	40.0
109.10133	32.5
111.04446	13.9
114.78583	4.8
122.06853	36.0
134.06029	5.1
135.11696	100.0
148.14824	4.8
153.05473	10.0
153.12741	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.87004	2.4
53.00293	10.2
53.03937	3.2
55.01846	4.1
55.05495	11.9
56.96548	9.5
57.03429	2.3
58.03745	2.4
59.04987	9.0
61.49901	2.2
65.03925	3.7
67.05497	7.9
69.03420	4.0
69.07056	9.9
70.94203	2.5
71.04986	30.5
73.06250	2.5
73.06555	24.9
79.05493	24.6
80.05009	3.1
81.03416	3.5
81.07048	100.0
83.04948	5.7
91.05470	10.9
93.07040	39.9
95.04950	6.4
95.08606	10.9
97.02866	2.8
97.06512	8.8
107.04951	6.0
107.06155	3.0
107.08592	37.8
108.04453	2.5
109.10142	8.3
111.04463	4.9
111.08086	6.8
111.96919	2.7
120.93006	2.9
125.06010	6.9
135.04337	2.8
135.11681	28.3
153.05479	5.1
153.06454	13.3
153.12749	14.7
154.04988	5.6
154.08569	3.9
171.43327	2.9
171.45895	3.1
174.60753	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	153.1274
Annotation	Junionone
Peak:m/z	Relative Intensity
53.00296	0.9
53.03945	1.9
54.41974	1.0
55.05505	16.1
56.47305	1.0
56.96570	1.1
57.03435	5.9
57.07065	8.3
57.07320	1.0
58.06606	1.1
59.04992	15.6
62.58105	1.2
65.03960	3.3
67.05495	21.9
67.05830	1.8
67.30534	1.0
68.01292	1.1
69.03424	10.9
69.07059	100.0
71.04990	4.0
73.06559	1.4
79.05480	20.4
81.07047	25.7
83.04963	12.5
83.08613	17.6
86.09683	1.4
88.97006	1.1
91.05486	9.4
91.71635	2.5
93.07036	51.7
95.04995	4.6
95.08598	60.9
97.06528	25.5
97.07105	1.6
105.07052	2.8
105.90962	1.2
107.08588	49.0
109.06519	2.1
109.10150	37.7
111.04486	4.1
111.08112	4.2
111.11757	4.3
122.06870	4.3
125.06060	2.9
135.11691	30.5
135.12651	2.1
153.05522	1.3
153.12726	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.27054	1.5
53.00308	2.2
54.15694	1.3
55.05502	5.4
57.03431	2.0
57.07056	5.8
59.04990	3.2
65.03925	14.8
67.05495	26.7
69.07055	21.0
71.04963	5.1
73.85932	1.9
79.05479	25.0
81.07045	24.6
83.04959	3.5
83.08615	3.2
91.05471	15.2
93.07037	37.4
94.63065	1.7
95.04975	4.0
95.08595	16.4
97.06535	10.1
105.07011	5.8
107.04963	2.0
107.08584	49.8
108.78117	1.6
109.06487	2.8
109.10147	100.0
111.04440	18.4
119.08602	8.6
121.06477	2.7
122.06868	8.8
125.05997	8.8
134.06003	5.4
135.11691	33.3
153.05525	4.2
153.06622	2.4
153.12697	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	153.1274
Annotation	cis-para-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
55.01851	3.4
55.05495	13.0
56.96553	6.4
57.03411	6.5
59.04984	10.3
65.03917	12.9
67.05495	30.7
69.03410	5.3
69.07056	37.9
70.94235	4.6
70.95847	4.5
71.04980	11.7
79.05487	14.2
81.07034	27.4
83.08602	7.7
91.05457	20.3
93.07030	74.4
95.04996	7.8
95.08591	39.3
96.93237	4.1
97.06522	55.2
100.70351	3.6
107.04945	16.4
107.08585	100.0
109.06502	4.7
109.10149	89.1
111.04445	16.8
111.06407	5.5
111.08052	4.9
111.96848	6.5
118.80856	4.0
122.06841	26.2
125.05953	8.8
126.21693	3.9
135.10773	5.1
135.11708	50.3
139.29190	4.5
153.05508	14.7
153.06625	4.7
153.12721	77.1
159.01831	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.55201	2.1
53.00288	6.0
55.05491	12.9
57.07044	3.2
59.04988	9.0
63.31792	2.9
65.01260	2.5
65.03912	3.1
66.03420	2.7
67.05508	16.5
69.07052	11.5
71.04982	29.2
73.06551	21.5
74.86922	2.9
79.05484	17.7
81.07047	100.0
88.57939	2.8
91.05461	6.0
93.07032	42.6
95.04971	4.0
95.08598	50.0
97.06528	8.2
107.08588	35.4
109.06504	4.4
109.10207	6.5
111.04456	4.7
111.08089	4.3
120.48133	3.0
135.11690	33.8
153.06557	3.9
153.12729	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.27916	2.4
53.00293	11.5
53.03926	3.7
54.46705	1.8
55.05495	9.3
57.07070	2.6
59.04987	8.2
65.03925	11.1
67.05504	12.0
69.07060	17.0
71.04993	25.9
73.06548	21.0
73.97968	2.3
79.05492	22.6
81.07049	100.0
83.05000	2.8
85.06581	2.4
91.05468	9.5
91.71655	3.1
93.07034	43.1
95.04987	4.1
95.08601	13.8
97.06539	10.6
105.07008	2.6
107.08598	41.2
109.10152	20.9
111.04424	12.3
111.08076	5.8
119.91142	2.3
122.06818	9.4
125.06001	11.1
127.66841	2.9
135.11682	29.1
143.82608	2.7
153.05444	4.9
153.06630	2.5
153.12782	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00293	1.7
55.05505	11.4
57.03431	16.0
57.07061	4.0
65.03931	5.2
67.05491	22.4
69.07059	27.4
70.94231	2.8
71.04969	9.6
73.06530	2.5
74.94186	1.8
78.73692	1.9
79.05484	32.5
81.07048	40.9
83.04963	22.0
83.08612	5.9
90.22396	1.8
91.05483	13.1
91.05955	2.2
93.07035	86.9
95.04951	6.8
95.08597	42.2
97.06523	10.0
97.10148	3.5
105.07013	4.0
107.04967	2.4
107.08588	100.0
109.10155	53.3
109.10829	1.3
111.04448	6.8
111.08109	2.3
122.06835	7.2
125.05987	5.7
134.06010	2.9
135.11684	48.1
153.05479	4.0
153.12755	27.6
170.39496	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	153.1274
Annotation	p-Mentha-3,8-dien-1-ol
Peak:m/z	Relative Intensity
55.05490	4.3
56.46178	1.8
63.06538	1.7
63.45829	2.0
65.03926	28.8
65.36092	1.6
66.98402	1.9
67.05493	33.3
69.03400	2.0
69.07042	4.2
79.05485	5.8
79.94960	2.0
81.07049	13.7
83.04987	4.5
83.19653	2.3
83.57143	2.1
91.05469	16.3
93.03367	3.7
93.07030	25.8
94.90203	2.5
95.04971	5.8
95.08588	8.7
97.06523	3.3
104.87536	2.3
105.07018	7.1
107.04973	2.8
107.08589	50.6
109.06535	4.8
109.10151	100.0
111.04436	34.8
114.89941	2.4
117.06954	3.2
119.08578	14.0
120.09341	3.0
122.06815	12.3
125.05987	16.7
134.05984	6.4
135.11682	41.8
152.99548	2.8
153.05426	6.9
153.06566	3.9
153.12732	14.4
161.65729	2.1
168.82182	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	154.0499
Annotation	5-Aminosalicylic Acid
Peak:m/z	Relative Intensity
50.23143	0.4
50.67413	0.4
51.55639	0.4
53.03915	0.5
61.35880	0.4
61.63811	0.5
63.15293	0.4
63.70926	0.5
80.05006	1.6
92.04996	12.1
94.06512	0.5
95.01293	0.6
97.78728	0.4
108.04482	4.1
108.08061	0.7
126.09100	0.7
136.03914	2.1
136.07593	1.2
137.49657	0.6
149.25958	0.7
154.04987	100.0
154.08580	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	154.9902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94781	1.5
55.80873	1.5
55.93524	1.6
56.88246	1.7
68.97679	1.6
72.93779	100.0
87.25265	1.5
90.94827	18.0
113.96394	87.8
131.97437	25.4
154.99016	55.9
169.89427	1.8
173.80403	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	154.9901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93510	2.7
72.93777	100.0
80.57915	2.8
82.82842	2.8
82.84842	2.5
89.48539	3.7
90.94832	19.6
91.71043	3.8
101.56966	3.3
113.96387	99.5
130.98120	3.4
131.97438	30.8
146.26161	3.2
154.99011	59.2
169.07542	3.9
173.41980	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	155.0339
Annotation	3,5-DIHYDROXYBENZOIC ACID
Peak:m/z	Relative Intensity
50.10688	0.5
50.23697	0.5
54.08675	0.6
56.26508	0.6
62.05455	0.6
65.03929	56.0
67.05493	1.1
68.29462	0.6
72.93780	7.5
79.05483	0.8
81.03414	6.5
81.07033	2.4
83.04962	0.7
84.37775	0.7
90.94818	0.9
93.03399	13.1
95.04939	1.4
106.06542	1.6
109.02861	7.6
109.06564	1.0
111.04430	100.0
113.96375	5.9
127.03936	2.5
131.97437	2.3
134.06007	21.8
137.02342	18.7
137.03415	2.0
143.44144	0.8
154.99007	5.3
155.03355	11.1
155.07024	1.1
163.04642	0.7
173.98570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0704
Annotation	Hydroxytyrosol
Peak:m/z	Relative Intensity
51.02362	1.3
53.03929	4.2
55.01874	2.6
55.05495	4.0
56.96554	1.6
57.03428	2.7
65.03931	7.8
67.05496	11.9
67.33530	1.1
68.05023	2.4
68.99782	2.7
69.03409	5.4
70.06580	2.4
70.36031	1.1
71.01336	1.3
72.93777	4.1
75.64484	1.3
79.05484	20.1
80.06276	1.8
81.03406	3.8
81.07048	100.0
82.06564	2.8
83.04974	13.3
84.04485	4.8
85.06514	6.3
86.06077	2.8
87.04472	1.4
91.05475	37.7
93.07038	45.5
94.04186	5.5
94.06547	3.8
95.04962	33.6
95.06079	4.8
96.04486	4.4
99.04429	1.4
105.04509	2.2
106.35783	1.3
107.04947	2.9
109.02881	3.7
109.06511	77.7
110.06045	3.9
111.04433	37.9
111.08100	1.7
112.01546	1.7
112.03962	3.4
113.06020	1.4
113.96407	3.9
116.03032	1.2
118.06537	2.6
119.04967	2.7
119.06019	1.3
120.04530	1.4
127.03905	6.0
127.05873	2.7
127.07566	4.1
127.08653	1.4
132.08163	1.3
134.06038	1.7
137.02367	1.9
137.05974	19.5
137.07074	4.0
138.01868	4.2
138.05460	3.0
138.09151	3.9
150.96902	1.7
154.82410	1.3
154.98997	2.3
155.03363	3.7
155.05351	2.4
155.07021	6.9
155.08163	8.9
155.11823	2.8
169.90248	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	155.0702
Annotation	2,6-Dimethoxyphenol
Peak:m/z	Relative Intensity
65.03930	3.8
72.93768	6.1
75.90380	1.0
81.03390	1.3
95.04958	42.2
95.08585	1.5
108.02064	1.2
108.98000	1.4
109.02878	6.7
111.04467	3.4
111.86324	1.4
113.96408	6.1
123.04417	100.0
124.05199	36.9
125.05985	1.5
131.97444	2.8
140.04677	5.3
141.05475	2.3
151.67711	1.4
154.99008	4.3
155.07019	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0703
Annotation	Hydroxytyrosol
Peak:m/z	Relative Intensity
51.75848	1.3
53.03952	5.0
54.97978	1.1
55.01866	1.6
55.05512	4.8
56.96323	1.1
56.96579	4.1
57.03455	2.0
58.87460	1.1
65.03929	8.0
67.05499	12.3
67.17406	1.1
68.05028	1.8
68.99783	1.7
69.03442	4.1
69.07074	1.7
69.20744	1.3
70.06577	1.6
71.05017	1.3
72.93802	5.8
77.03931	1.2
79.05488	19.6
80.06290	2.3
81.03414	6.8
81.07051	100.0
82.07419	1.3
83.04959	13.7
84.04485	1.2
85.02925	1.5
85.06529	8.8
88.45693	1.2
91.05476	38.7
93.07042	45.5
94.04202	4.5
94.06587	3.1
94.68203	1.3
95.04964	32.6
95.06049	1.9
96.04519	2.7
99.04463	2.5
105.04525	3.0
107.04999	4.0
109.02910	5.0
109.06513	73.6
110.06075	4.5
111.04437	38.2
111.05167	2.0
112.01663	1.8
112.07642	2.3
113.96438	5.8
118.06580	3.5
119.04946	3.1
127.03909	7.2
127.07583	3.4
137.02458	2.4
137.05977	17.7
137.07034	1.6
138.01932	2.2
138.09145	2.7
154.99049	3.5
155.03464	4.7
155.05421	1.5
155.07069	6.3
155.08192	5.5
155.11850	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	155.143
Annotation	Yomogi alcohol A
Peak:m/z	Relative Intensity
54.97862	4.0
55.01844	9.7
55.05504	35.1
56.96550	8.5
62.77667	4.5
65.03931	5.2
67.05511	29.3
69.07043	19.2
71.04980	13.9
71.22512	5.0
72.93777	15.2
78.40405	4.7
79.05495	12.0
80.05732	5.6
81.07046	100.0
83.04954	5.9
83.08608	17.0
85.06519	7.3
90.97347	7.1
90.97903	5.0
91.05494	10.1
93.07032	10.6
95.04962	12.5
95.08604	77.7
97.10174	13.2
97.41950	5.2
102.42519	7.1
109.06511	16.0
111.04436	13.3
113.96394	13.7
114.09147	48.1
134.06030	6.0
137.05992	10.3
137.13248	18.8
154.99039	15.6
155.03413	7.4
155.07028	16.0
164.57748	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	155.143
Annotation	Yomogi alcohol A
Peak:m/z	Relative Intensity
53.03955	3.9
55.05285	3.4
55.05503	31.9
56.96553	4.6
57.03437	3.6
59.04981	4.1
67.05493	32.8
69.07062	19.5
69.07368	2.9
71.04973	14.2
72.70294	3.0
72.93774	11.5
73.06542	9.3
79.05463	6.6
81.07045	100.0
81.50661	3.0
83.04961	5.2
83.08603	15.6
85.06529	6.0
91.05465	8.0
93.07039	7.2
95.04978	7.3
95.08598	79.3
95.09160	6.5
96.08109	3.6
97.10152	12.0
109.06522	15.4
111.04414	10.2
111.57223	3.4
113.96398	8.1
114.09153	26.5
116.55368	3.1
127.03925	5.2
137.13258	15.8
144.81653	3.7
154.99046	11.8
155.03377	4.2
155.07040	4.1
155.08223	5.0
172.08290	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	155.1431
Annotation	Yomogi alcohol A
Peak:m/z	Relative Intensity
55.05507	40.0
56.96553	6.8
65.03947	3.4
67.05488	21.6
69.03393	4.3
69.07056	13.0
71.04977	19.1
72.93783	12.1
73.06540	10.4
78.46900	3.7
79.05481	10.0
81.07051	100.0
83.08607	19.0
85.06538	9.7
91.05477	10.6
93.07027	11.0
95.04994	5.6
95.08605	74.7
96.04537	4.0
97.10165	16.4
106.91356	4.2
109.06512	17.5
111.04433	11.8
111.49737	4.1
113.96404	13.6
114.09170	37.6
119.84947	4.0
127.03938	4.9
127.17513	4.4
131.97424	8.4
137.06044	5.6
137.13254	19.0
154.98984	11.1
155.07021	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	155.143
Annotation	(-)-Carvomenthone
Peak:m/z	Relative Intensity
52.08780	5.5
53.00293	6.5
55.01880	11.5
55.05519	13.4
56.96572	8.6
57.03432	14.0
57.07074	20.7
58.06622	5.8
65.03954	9.6
67.05505	38.9
69.07069	16.3
71.04984	100.0
71.05331	7.8
71.08619	37.5
72.93777	91.5
79.05499	7.7
79.44691	5.1
80.62315	4.8
81.03448	5.9
81.07051	85.8
83.04968	11.2
85.06547	16.0
85.10194	40.3
90.94845	25.9
91.05476	15.7
92.26537	6.0
93.07076	15.6
95.04988	13.2
95.08590	62.8
98.18918	6.3
99.08112	25.2
100.43553	5.6
109.02883	6.1
109.06509	33.9
109.10172	10.3
111.04483	20.4
113.09686	22.4
113.96391	84.0
114.09200	23.0
115.64342	6.5
127.03910	12.4
131.97475	17.3
137.06000	14.9
154.99034	79.3
155.07121	9.6
155.08434	8.3
155.14299	86.8
167.48763	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	155.9741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21281	8.5
66.48420	11.6
69.68230	9.6
100.38347	9.8
102.21010	10.7
110.07171	16.5
114.09138	100.0
115.09519	15.8
119.97657	9.9
125.81062	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	156.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57724	2.5
59.99060	2.3
62.52416	1.9
63.53991	2.1
63.55282	2.4
74.09679	4.4
74.74049	3.0
82.37701	2.5
83.06098	10.9
92.89226	2.8
93.04508	9.5
95.06085	9.3
97.48624	2.5
110.07154	100.0
126.98867	2.9
130.06314	4.2
156.04185	17.2
156.07704	13.3
156.10223	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	156.102
Annotation	Scopoline
Peak:m/z	Relative Intensity
50.32792	2.7
55.01846	5.2
55.05493	10.7
56.96557	32.9
57.03424	9.0
58.06580	4.9
65.03936	6.4
67.05489	16.0
68.05010	17.3
69.03417	3.9
69.07050	13.7
70.06573	6.9
70.95846	4.3
72.93780	6.8
79.05480	5.7
80.05034	4.0
81.07047	9.0
82.06560	29.3
82.07355	5.2
83.04959	21.7
83.08601	4.9
84.04504	6.1
84.08153	4.2
85.06536	7.7
86.06075	10.1
86.09694	85.6
88.81261	3.9
91.05437	4.6
92.05032	4.7
93.07030	9.0
95.04966	7.9
95.08607	8.9
96.04480	29.7
96.08118	20.9
97.05251	20.2
97.06528	9.2
97.99187	4.2
98.06053	6.0
100.07605	15.0
108.08092	5.0
110.06043	71.8
110.07141	10.7
110.09675	28.3
111.04424	9.0
111.08052	7.0
111.98460	6.2
113.96420	5.0
114.05544	12.4
115.03942	5.7
120.08057	4.4
123.77206	4.3
124.07600	8.6
125.08385	11.1
126.09139	51.3
128.07100	16.1
128.10741	20.8
132.95906	4.7
138.01959	3.6
138.05489	9.5
138.09131	97.7
139.03909	4.9
141.46873	3.6
150.96809	4.8
153.01103	3.6
155.97403	6.8
156.06511	31.0
156.10185	100.0
156.99118	4.3
164.84795	4.0
173.98515	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	156.102
Annotation	Arecoline
Peak:m/z	Relative Intensity
53.03938	4.3
54.53315	2.8
55.05508	20.4
56.96556	23.3
57.03428	2.6
59.08653	2.6
65.03915	4.0
67.04234	2.4
67.05491	9.6
68.05013	14.9
68.52982	3.5
69.03428	6.0
69.07066	5.4
70.06569	7.4
70.95856	3.1
71.04973	10.1
71.33880	3.0
72.93753	5.7
79.05479	12.9
80.04991	3.8
81.07047	5.9
81.35597	2.5
82.06571	20.4
82.07333	3.7
83.04974	6.0
84.04501	4.6
85.06534	67.7
85.50423	2.5
86.06065	20.9
86.09662	7.4
93.07053	4.2
94.06591	3.3
95.04977	6.6
95.08566	3.3
96.04488	10.3
96.08117	9.2
97.05274	5.8
97.06547	5.1
100.07661	3.7
106.06528	26.5
106.09902	3.0
109.06480	3.4
110.06036	31.2
110.07157	3.6
110.09715	8.9
111.04442	4.7
112.04695	4.1
112.17281	3.0
114.05507	11.1
114.09088	3.9
115.03969	5.4
115.96449	4.9
117.81548	3.0
124.07581	100.0
126.09138	17.1
128.07072	15.3
138.05487	5.8
138.09102	22.9
155.97380	4.0
156.06570	20.4
156.10190	61.3
156.13795	5.1
161.67706	3.3
167.73529	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	156.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06927	2.2
52.09996	2.1
53.00293	3.0
55.05484	3.1
56.96302	3.8
56.96561	43.5
57.07069	100.0
57.07351	6.0
58.06578	2.6
59.04979	3.4
64.55096	2.3
67.05494	8.1
68.05016	9.5
68.05828	2.9
69.07045	4.3
70.06571	8.6
71.04974	6.6
74.93812	4.4
82.06575	13.3
82.07369	6.7
83.04971	10.5
84.04505	5.0
86.06062	7.1
86.09682	2.8
87.04447	4.9
95.08624	3.1
96.04519	3.6
96.08946	7.9
96.18475	2.8
97.06571	3.6
97.99171	6.6
100.07635	9.0
110.06052	11.6
111.04453	10.0
114.05504	6.9
115.03937	8.1
115.96425	7.3
118.08665	2.9
128.07079	10.0
138.05515	3.5
138.49454	3.0
139.03954	3.3
156.06549	13.8
156.10216	10.8
156.13821	64.3
156.99097	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	157.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	3.0
53.03945	3.3
54.81223	2.4
55.01854	13.2
55.05504	41.5
56.96559	100.0
57.03440	8.2
59.04978	2.9
63.97338	2.6
65.03924	11.9
67.05495	40.2
69.03423	7.2
69.07058	39.2
70.06577	44.2
71.04982	44.2
74.93826	7.8
75.16533	2.5
79.05489	38.1
81.07050	9.4
83.04970	43.4
83.08609	5.3
84.04491	6.5
85.02896	3.7
86.09691	2.9
91.05457	7.8
93.03394	3.5
93.07034	61.8
93.07576	5.9
95.04967	24.1
95.08604	34.7
97.02865	8.1
97.06506	23.2
97.10180	4.5
97.71304	2.8
97.99187	13.6
98.06032	8.2
98.97581	14.4
111.04435	23.9
111.08083	12.2
112.07574	6.9
115.96429	12.4
116.00182	7.6
116.06380	3.2
116.07066	19.6
116.98642	9.5
121.10136	22.1
129.07007	10.6
134.99663	9.0
139.01791	11.4
139.03918	12.2
139.08586	3.0
139.11148	16.8
140.00237	10.0
141.06970	3.9
142.07787	14.4
142.18977	2.9
156.99088	12.3
157.05005	7.8
157.10143	12.3
158.01282	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	158.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02639	3.9
70.06583	92.0
97.07675	4.9
106.39396	4.8
107.95776	4.7
109.03532	4.6
109.79652	4.6
112.08707	56.7
116.07094	27.9
125.91334	4.8
136.77156	4.8
136.78413	4.4
158.09232	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02639	3.9
70.06583	92.0
97.07675	4.9
106.39396	4.8
107.95776	4.7
109.03532	4.6
109.79652	4.6
112.08707	56.7
116.07094	27.9
125.91334	4.8
136.77156	4.8
136.78413	4.4
158.09232	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.7
55.25962	0.6
56.96302	1.1
56.96561	16.1
57.03424	1.9
60.12094	0.6
62.43824	0.6
69.03419	1.3
70.06587	25.0
71.04974	1.9
72.08128	1.6
73.50146	0.7
79.53363	0.7
81.03394	1.2
83.38744	0.7
84.04505	16.0
84.08148	1.1
85.02931	0.9
86.73215	0.9
94.06595	1.1
94.07900	0.9
95.08608	1.1
97.99169	1.5
98.06049	10.9
98.97579	19.4
107.02448	0.8
109.02854	0.9
112.07612	12.7
113.02991	0.9
114.05550	1.1
115.05494	1.0
116.00257	0.9
116.07109	5.4
116.53589	0.9
116.98618	15.4
117.05573	1.0
130.08673	1.0
134.99661	10.5
135.37303	0.7
139.01811	1.3
140.00185	17.4
140.07059	6.5
143.07310	2.5
153.00685	1.5
158.01254	16.7
158.08203	3.5
158.09645	100.0
158.15393	1.2
162.14337	0.8
176.02295	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	158.154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49444	1.7
57.06847	2.3
57.07069	23.3
58.19223	1.9
61.74487	1.7
63.62163	1.7
75.60864	1.9
102.09175	56.6
158.15404	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39900	9.1
57.03430	60.6
58.06588	21.7
64.46545	10.5
68.02636	22.6
69.03444	12.9
70.06580	18.3
70.09010	10.4
71.04981	42.1
73.02891	16.0
74.59934	10.7
81.03416	72.0
82.01413	17.7
85.02879	18.9
86.03664	36.6
91.42773	11.4
97.02894	12.5
99.04458	13.0
100.02484	60.5
100.03097	9.8
100.05260	19.8
101.00864	25.4
102.09177	26.8
109.02885	39.4
114.09187	41.3
118.01180	17.6
118.03579	10.5
118.10944	11.5
119.01897	34.4
123.01643	18.9
123.04073	46.6
124.02512	14.5
129.58600	12.6
141.02730	48.2
141.05060	27.4
142.03535	87.4
142.12267	100.0
154.03477	23.7
156.05043	15.2
159.14883	85.4
162.74841	13.4
164.04247	58.2
165.05147	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0917
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
51.56691	2.0
56.96549	8.8
62.53154	2.4
67.05495	4.7
71.04961	3.6
81.03412	3.5
85.02909	2.7
96.80318	2.8
97.99235	3.4
98.97610	6.0
103.05504	3.9
104.44630	2.8
106.42542	2.7
108.58524	2.6
113.02363	5.2
115.04748	2.8
115.05435	15.5
116.98624	4.7
117.05744	15.7
117.81866	3.1
118.06528	8.0
130.06523	26.1
132.08081	100.0
134.99658	3.4
135.99980	3.5
140.00163	6.8
141.00706	2.7
141.01799	10.8
142.06537	21.9
158.01273	6.8
159.01634	4.0
159.09158	84.4
160.07571	10.9
164.16397	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1016
Annotation	Cleroindicin E
Peak:m/z	Relative Intensity
50.80073	1.9
53.00306	1.6
55.01855	1.8
55.05511	4.4
56.96547	7.5
57.03426	3.0
59.04980	2.1
65.03920	1.9
67.05492	18.6
69.07047	16.4
71.04980	100.0
72.08133	2.4
74.08723	1.9
79.05470	1.6
81.03420	4.1
81.07038	5.6
85.06529	9.6
95.04427	1.7
95.04961	9.8
95.08594	64.6
98.97588	2.0
99.04440	39.1
113.02346	11.4
115.07548	4.9
116.98587	4.2
117.96043	2.5
118.06543	4.1
123.08038	6.8
131.08545	2.4
136.85060	2.1
141.01814	29.6
141.09100	59.7
144.98219	2.2
163.10403	2.1
176.36256	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
50.73853	3.2
51.57681	3.6
55.05487	3.8
55.44641	4.1
56.96553	19.6
60.19791	3.4
60.76393	4.1
67.05486	14.4
70.06573	10.0
71.04994	11.1
71.06911	8.9
72.08150	23.8
76.93348	5.3
81.03415	5.5
91.05479	19.2
95.04976	6.0
96.56371	4.8
99.04445	4.8
99.06334	4.5
100.74094	4.0
105.07008	7.5
111.04414	5.6
114.07613	4.4
115.05441	4.9
117.07017	21.3
117.96052	5.7
129.07045	10.4
130.07793	6.8
131.08577	100.0
141.01868	6.1
144.09401	6.0
158.98560	6.0
159.02948	5.8
159.08138	4.8
159.10175	8.3
159.11671	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0969
Annotation	Turicine
Peak:m/z	Relative Intensity
55.05509	17.5
56.05022	6.5
57.04557	29.7
58.01688	1.8
58.06582	2.6
62.81883	2.0
68.05029	6.2
69.03419	9.9
69.04711	2.1
69.07063	24.6
70.06234	4.2
70.06588	54.3
71.04984	3.0
72.07253	2.0
74.06078	3.9
74.07197	10.3
78.12822	1.8
79.76210	2.2
82.06573	5.5
84.04510	3.1
85.43871	2.1
86.06068	42.5
87.04462	62.2
88.03986	2.9
88.07587	2.6
89.80769	1.9
96.04509	4.1
96.08126	100.0
97.06551	4.1
97.07642	3.4
100.07616	10.7
104.07099	28.5
114.05531	14.0
114.08371	4.9
114.09168	84.4
123.49252	2.4
124.07610	3.9
125.07086	14.1
142.08640	36.2
142.09726	2.5
160.09676	66.0
160.10846	64.4
178.05409	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	160.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.2
56.05029	4.3
56.06155	2.6
57.04556	42.8
58.06604	3.4
58.17385	2.9
61.56089	2.6
68.05000	4.1
69.03415	10.4
69.07056	3.2
70.06572	15.3
70.21493	2.7
74.06053	4.7
74.07197	21.1
77.95320	3.5
82.36481	3.2
86.06057	54.7
87.04459	94.4
96.04501	5.7
96.08121	21.4
97.06510	7.3
97.07645	4.4
100.07619	7.5
104.07098	30.8
106.67149	2.9
109.05801	3.3
109.87296	3.4
114.05518	8.5
114.09184	35.2
125.07105	17.9
142.08691	17.2
142.09717	4.1
160.09660	17.7
160.10825	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.1333
Annotation	DL-2-Aminooctanoic acid
Peak:m/z	Relative Intensity
55.34116	0.5
57.05800	0.9
58.06343	0.7
58.06595	7.7
59.49239	0.4
59.71507	0.5
59.79189	0.4
60.26926	0.4
70.06599	0.9
71.07341	0.8
72.08145	16.6
72.18168	0.6
74.92600	0.5
84.89127	0.5
111.77167	0.6
114.12798	100.0
115.13108	0.7
142.08833	0.6
147.97908	0.7
156.11047	0.6
160.09685	0.9
160.13313	20.0
160.14645	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.1333
Annotation	3-aminooctanoic acid
Peak:m/z	Relative Intensity
56.96545	1.2
58.06593	11.5
72.29984	0.5
86.06010	0.6
95.04938	0.5
96.08140	1.0
96.41521	0.4
100.11249	100.0
114.05489	0.8
114.09127	0.7
114.12772	1.8
118.06512	2.5
132.08075	0.6
137.05965	0.6
142.06514	0.7
142.08640	0.7
160.07561	4.1
160.09682	0.6
160.13298	6.6
165.05186	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33538	1.0
56.82492	1.1
69.44608	1.2
72.08151	1.4
75.91473	1.5
78.74823	1.4
79.74535	1.3
81.78819	1.5
84.08143	10.2
88.33877	1.3
101.00880	20.1
102.00956	7.1
103.02459	2.2
104.09662	1.4
111.04446	4.6
118.03542	1.8
119.01920	100.0
120.01996	28.3
121.01624	1.6
124.02417	10.4
125.02602	5.9
135.24637	1.4
137.02951	27.4
138.03038	7.5
141.05074	2.4
142.03500	81.8
143.03618	49.7
144.03262	2.6
153.79634	1.3
160.04562	12.6
161.02979	3.1
161.04692	9.4
164.54643	1.5
165.05103	42.7
166.05220	42.7
167.04948	1.8
183.06172	4.8
184.04588	3.7
184.06293	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	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.28666	0.6
51.04258	0.8
53.03967	0.7
55.01860	1.7
59.48366	0.8
62.56818	0.7
66.27570	0.8
79.05492	8.1
79.05904	1.2
89.39880	0.8
91.05478	2.0
91.79443	0.9
94.49391	0.8
95.04935	5.7
103.05461	31.0
105.07025	24.6
115.05450	2.7
118.04154	1.7
118.06555	1.4
119.08586	1.5
131.04926	25.1
133.06467	4.8
146.03606	2.2
161.05963	100.0
161.09634	2.3
161.13246	2.3
161.43512	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
56.67658	1.3
57.22446	1.2
67.22591	1.3
79.05473	9.5
91.05443	3.8
91.57305	1.5
91.58446	1.5
94.88457	1.4
95.04936	6.4
95.05507	1.5
103.04787	2.1
103.05453	17.2
105.07025	30.0
107.06521	1.6
114.07860	1.7
115.05444	3.4
118.06543	2.0
119.08575	2.8
121.01235	1.6
121.06490	5.3
128.06190	2.3
131.04897	9.9
133.06519	7.6
133.10121	5.7
143.08569	2.2
145.06503	2.3
146.07242	7.1
153.96896	1.7
161.05966	100.0
161.09593	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	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03931	0.8
55.01850	1.1
55.34762	0.6
62.07443	0.7
63.39009	0.8
79.05475	8.9
91.05441	2.4
95.04948	4.6
103.05458	14.3
104.99863	0.7
105.04508	1.2
105.07021	21.2
107.05012	0.8
108.20246	1.0
112.55136	0.8
115.05435	3.5
118.04138	1.6
128.06201	2.9
131.04924	4.9
133.06482	4.1
134.99840	0.8
135.06985	0.8
143.08524	4.6
146.03645	1.0
161.05959	100.0
161.09566	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	161.0597
Annotation	Viburtinal
Peak:m/z	Relative Intensity
50.35335	0.4
53.03937	0.4
55.77394	0.4
61.44111	0.4
66.95129	0.4
67.59834	0.4
77.03916	0.8
83.15753	0.5
87.20184	0.5
91.05398	0.5
95.04957	2.0
97.16426	0.5
102.04657	1.0
103.05457	91.6
105.04554	0.5
105.06986	0.8
111.13689	0.6
123.59429	0.5
131.04916	100.0
151.91423	0.4
156.42993	0.5
161.05963	36.5
172.07596	0.8
172.21333	0.7
172.22675	0.5
179.20905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
54.29586	1.3
55.01856	3.9
58.00384	1.3
59.46883	1.2
73.52660	1.1
79.05473	12.8
89.03898	1.8
90.04691	5.0
91.05451	1.7
95.04963	6.7
103.05457	30.2
103.06098	2.2
103.58062	1.6
105.07021	100.0
109.58733	1.4
115.05442	29.1
118.04147	23.3
118.06575	1.9
120.75159	1.3
131.04893	9.2
133.06474	52.1
143.06030	3.6
146.03604	1.4
161.05963	16.6
161.09627	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	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71898	1.5
51.38745	1.6
57.03392	1.7
57.86995	1.7
69.03415	4.0
79.05485	8.6
91.05472	24.9
93.07034	5.8
103.05457	21.5
105.07023	100.0
105.99415	2.8
111.47403	2.2
115.05462	9.2
117.07026	4.6
118.07796	5.0
121.06495	4.3
128.06239	10.1
131.04916	13.5
131.08588	9.2
133.06503	14.8
133.10121	46.1
140.44958	2.6
143.08551	11.4
146.07271	13.3
161.05949	18.6
161.09605	57.4
163.24568	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	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
68.07021	2.2
91.05462	6.7
91.71054	3.4
105.07021	32.6
107.04951	3.3
107.29697	2.3
115.05463	2.3
117.07011	6.6
119.08605	2.4
121.06508	11.1
128.06239	4.0
130.00839	3.2
131.04895	5.9
133.06445	3.2
133.10141	21.9
141.89386	2.4
143.08598	3.7
145.06505	3.7
146.03603	5.4
146.07231	20.2
161.05954	4.2
161.07201	3.6
161.09605	100.0
169.72914	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	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	4.5
55.05483	10.7
56.96553	19.2
65.91236	3.3
67.05488	5.9
69.03420	6.8
70.77335	3.8
79.05472	22.8
81.79645	4.1
82.29037	3.8
84.04506	10.3
87.54790	3.9
87.55581	4.1
91.05461	19.1
93.07016	6.0
95.04965	12.5
103.05467	5.0
105.07021	56.2
105.24499	4.0
117.07021	10.3
118.06480	4.5
118.07835	4.4
119.08590	28.9
121.06491	8.8
128.06250	31.6
131.08572	9.6
131.80704	4.1
133.06488	16.5
133.10120	24.4
143.08530	27.1
143.24689	4.3
145.06454	4.5
146.07307	13.3
161.05965	6.1
161.07214	8.7
161.09616	100.0
176.57385	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	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.00312	6.5
55.05501	13.5
67.05522	3.2
69.07058	100.0
69.89852	2.6
75.01392	2.4
79.05494	6.2
79.87241	2.2
81.07036	13.7
83.08576	2.2
91.05472	23.0
93.07034	12.1
95.04968	3.5
103.05495	6.1
105.07022	69.7
105.07684	4.5
107.08587	4.6
117.07034	7.3
119.08570	77.3
131.04955	4.7
131.08649	8.2
133.10098	21.3
146.10957	3.5
146.64844	2.5
155.80394	2.4
161.06049	6.4
161.13242	79.9
161.14465	4.9
166.02203	3.0
177.55670	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	162.0762
Annotation	O-Acetyl-L-homoserine
Peak:m/z	Relative Intensity
55.01851	1.7
55.05509	3.1
55.65297	1.1
56.05030	17.3
56.96555	3.1
57.03423	4.1
57.47593	1.2
58.02946	1.5
58.06588	2.7
59.29034	1.0
60.04516	4.6
60.05640	2.3
61.02927	1.3
67.05493	6.8
68.05005	2.1
69.03413	3.5
70.06584	13.1
71.04971	1.9
71.05693	1.0
72.04525	1.1
73.01145	1.1
74.02433	1.7
74.06075	100.0
74.21876	1.0
75.02669	1.4
76.07637	3.0
78.58549	1.1
79.05490	1.9
80.05003	2.7
81.03407	3.4
83.04985	1.2
84.04494	8.8
84.08138	31.6
85.02892	4.3
85.06547	16.7
86.06059	4.5
87.04459	5.7
88.03991	8.9
90.05583	1.5
91.05438	1.6
95.04953	3.0
97.02888	3.5
98.06051	25.7
98.09688	3.4
99.04470	2.7
102.05540	43.1
102.09155	11.0
103.03950	2.2
103.05457	1.5
106.06543	2.5
116.07084	17.4
116.10722	3.3
120.06583	61.4
120.08022	10.8
126.05521	8.4
126.09171	2.6
127.03931	1.5
134.05997	4.7
134.08087	2.3
134.09650	1.5
144.06520	10.9
144.10213	5.0
162.05511	5.4
162.07639	4.7
162.09140	8.2
162.11282	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	162.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.6
58.93477	0.4
60.05648	0.9
61.07579	0.4
63.75024	0.4
64.61163	0.4
69.49176	0.5
70.06580	100.0
71.04976	1.9
72.00995	0.4
79.09530	0.4
85.02905	0.6
85.06532	9.5
97.08591	0.5
98.06036	0.5
112.08723	10.8
130.09763	3.2
144.11317	3.1
148.65530	0.5
167.52127	0.6
171.61394	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	7-Hydroxychromone
Peak:m/z	Relative Intensity
53.03918	2.3
64.82634	0.7
71.54935	0.8
77.03905	3.5
79.05489	5.7
81.03397	0.7
91.71618	1.1
92.02618	3.7
95.04961	20.4
103.05492	3.7
105.03400	4.7
105.04517	4.2
107.04974	1.3
118.06528	3.2
128.28232	0.7
131.04884	4.8
133.02846	23.6
135.04417	24.1
138.03111	1.4
144.50948	0.8
163.03891	100.0
173.80014	0.8
183.05891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
54.14362	0.8
56.96535	1.1
63.46649	0.9
66.66806	0.9
69.03409	1.3
74.85271	1.2
77.03894	1.2
79.05479	5.6
85.02894	3.0
88.46280	0.8
89.03909	33.4
95.04945	4.7
103.05460	99.1
107.04935	5.4
117.03371	13.8
122.65860	1.1
131.04921	100.0
135.04408	35.4
145.02855	9.9
158.06020	3.9
163.03882	35.6
163.06145	1.9
163.07494	13.5
178.43735	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
56.96561	1.8
57.03423	0.8
57.40588	0.6
69.03411	2.4
71.04988	1.0
77.23195	0.6
79.78105	0.7
81.03421	2.5
85.02896	2.3
85.72073	0.7
91.05456	1.8
95.04953	2.5
95.68896	0.7
101.98708	0.7
103.05458	76.3
107.04949	0.8
117.06997	0.8
121.06488	3.8
131.04921	100.0
135.04420	1.4
163.03877	3.1
163.07527	47.9
172.07587	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02380	0.7
53.03940	0.4
53.64324	0.3
55.35749	0.3
56.96557	0.7
57.03432	0.5
69.03426	0.9
77.03931	0.5
79.05492	0.8
81.03416	0.5
83.15779	0.5
85.02907	1.1
91.05474	1.0
95.04956	4.3
99.04474	0.5
102.04688	0.5
103.05461	100.0
105.04510	0.6
105.06969	0.7
107.04958	1.1
115.05471	0.5
117.07008	0.6
122.09661	1.2
131.04921	97.4
134.99744	0.3
135.04436	0.7
135.08057	0.7
144.08051	0.5
145.06494	0.5
163.03870	1.8
163.07532	16.6
170.82982	0.4
172.07549	0.5
172.21498	0.4
178.91051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.19443	0.6
52.64468	0.7
53.50320	0.7
54.34187	0.6
56.96535	0.9
57.07063	0.9
60.02655	0.8
69.03400	1.2
77.03889	0.9
79.05439	0.9
85.02906	1.7
85.42120	0.8
91.05468	2.8
91.71595	1.3
93.07021	1.1
93.21500	0.9
93.26584	0.8
95.04961	2.5
102.04714	1.2
103.05461	80.6
105.06997	2.9
107.05003	1.4
107.08564	1.6
119.08543	4.6
122.09747	1.1
131.04922	100.0
135.04422	1.1
135.11668	4.6
159.27827	1.0
163.03880	3.5
163.07530	54.4
163.11191	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	163.0752
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.59716	1.1
62.14355	1.1
65.68447	1.0
66.40057	1.2
69.03400	2.0
73.32564	1.0
75.12292	1.2
79.05480	1.8
85.02876	1.8
95.04949	1.9
103.05457	97.8
105.94586	1.2
108.99109	1.2
111.80724	1.3
127.34440	1.3
131.04918	100.0
160.25266	1.3
163.03900	3.9
163.07518	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	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42548	1.4
54.87110	1.5
56.79533	1.5
66.98185	1.4
71.35368	1.5
101.00874	19.5
111.42158	1.7
118.03514	2.5
118.39747	1.9
119.01917	82.3
123.04102	1.9
124.02436	15.4
137.02937	22.4
141.05130	2.2
142.03494	100.0
160.04515	16.2
162.99072	1.9
165.05092	79.9
165.06491	3.8
166.05376	2.2
168.02583	1.8
183.06139	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	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
57.44316	0.8
62.16809	0.9
65.03932	2.5
74.87591	1.0
86.21082	1.2
91.05476	28.3
95.04966	3.4
101.00886	1.6
101.49074	1.1
114.95782	0.9
118.53826	1.0
119.01933	8.5
119.04942	54.3
123.04456	2.5
124.02503	2.0
124.04130	1.2
131.97911	1.1
137.02956	2.4
141.05038	1.2
142.03484	11.2
147.04410	100.0
150.13217	1.0
165.05113	11.5
165.10219	2.2
183.06186	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	165.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10721	0.7
65.03922	2.7
91.05472	27.4
95.04942	1.0
117.01330	0.7
119.01935	2.7
119.04937	48.7
123.04427	2.4
124.02367	1.0
137.02986	1.0
142.03499	2.2
147.04402	100.0
160.04611	1.0
165.05190	4.0
165.10213	1.4
175.50531	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44275	0.6
60.10905	0.8
60.23687	0.7
65.03924	1.8
65.65220	0.7
73.80539	0.8
91.05473	30.0
95.04942	1.6
101.02614	1.0
109.96448	0.9
115.51513	0.8
119.01916	4.6
119.04938	46.1
123.04424	2.7
124.02334	1.1
140.12566	1.0
142.03484	6.7
147.04405	100.0
159.41676	0.9
160.04634	1.1
165.05106	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	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.55810	0.6
60.21689	0.6
62.02134	0.8
65.03925	4.0
65.69592	0.7
73.19167	0.7
77.84462	0.8
91.05472	25.3
95.04958	2.1
119.01889	3.2
119.04933	48.4
123.04444	1.8
123.76315	0.9
142.03514	4.8
143.61702	0.9
147.04402	100.0
165.05156	5.0
165.10243	1.3
166.31732	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0544
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
65.03931	2.9
73.76649	0.7
86.62524	0.9
91.05473	30.1
95.02768	0.9
95.04977	2.0
119.04935	57.3
123.04449	2.1
124.60587	1.0
147.04407	100.0
165.05328	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	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
56.55883	1.1
57.07051	1.5
65.03923	1.6
67.05499	3.3
72.97730	1.1
79.05501	1.3
81.07042	5.3
91.04922	1.8
91.05476	27.7
95.04958	4.8
95.08588	3.3
98.77879	1.3
109.10174	3.7
119.01928	6.3
119.04939	48.2
123.04456	1.9
123.08109	1.5
124.02446	1.5
124.04129	2.7
137.02992	1.5
142.03499	7.0
147.04408	100.0
159.37338	1.5
160.04591	1.9
165.05153	9.5
165.10277	2.8
165.12790	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95934	0.9
65.03934	2.7
91.05469	27.0
91.71088	1.1
92.06554	1.1
94.51027	0.9
95.04949	1.2
101.00891	1.4
105.60444	1.0
106.99599	0.9
119.01882	2.9
119.04932	52.0
123.04424	3.4
124.04124	1.1
137.02979	1.4
142.03502	6.4
147.04402	100.0
149.75154	1.0
165.05133	6.3
165.10272	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	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15999	0.4
53.89989	0.5
57.07056	1.1
65.03936	3.4
74.22520	0.5
81.07055	0.9
91.05470	29.6
91.72169	0.6
95.04930	1.6
107.51586	0.5
109.06509	0.8
119.04937	49.5
123.04384	1.2
132.30200	0.6
140.10910	0.6
146.49391	0.6
147.04402	100.0
165.05376	1.1
165.12764	0.6
183.13783	0.7
183.38908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.26268	0.3
54.15950	0.2
57.07052	0.5
65.03923	3.3
69.49507	0.3
70.17393	0.3
81.07048	0.5
90.59680	0.3
91.05470	29.6
91.71675	0.7
95.04958	1.4
95.08636	0.3
106.61613	0.4
109.06495	0.6
119.04932	50.7
120.25925	0.4
123.04391	1.5
143.29417	0.3
147.04399	100.0
148.04654	0.4
165.05446	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	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05639	0.4
57.07062	0.9
63.67277	0.5
65.03918	2.5
81.07065	0.7
91.05469	29.2
95.04946	2.1
109.06463	1.0
119.01962	1.2
119.04932	50.2
123.04415	0.9
142.03522	1.3
147.04399	100.0
165.05316	2.4
168.72792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.32080	0.3
55.95641	0.4
65.03922	3.1
68.06673	0.3
69.68432	0.3
91.05473	28.9
95.04947	2.2
97.36607	0.4
109.06512	0.7
119.04938	51.4
123.04402	1.0
138.85588	0.3
142.03510	0.8
147.04405	100.0
165.05400	2.0
165.06676	0.3
178.24368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
57.07059	3.5
65.03913	2.5
67.85474	1.4
81.07043	4.0
91.05471	29.6
95.04974	4.0
107.13165	1.5
109.06519	2.6
119.01924	3.2
119.04935	52.4
123.04456	2.1
137.02913	2.1
142.03523	6.1
147.04404	100.0
165.05101	13.9
165.10226	9.6
165.12706	3.0
168.76735	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	165.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61980	0.7
59.57029	0.7
61.69271	0.8
65.03929	2.4
65.49288	0.7
84.07749	0.9
91.05473	26.2
95.04930	1.5
119.01977	1.9
119.04934	45.8
123.04435	1.7
141.75281	0.8
142.03545	2.1
147.04404	100.0
165.05324	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	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80476	1.2
57.07085	1.7
57.44721	1.3
59.93121	1.8
65.03940	2.9
67.05523	2.6
68.76562	1.6
72.65840	1.5
78.89874	1.5
81.07070	2.8
81.80496	1.5
88.30008	1.5
91.05475	32.5
95.04985	5.3
96.09812	1.4
109.06528	1.7
113.01586	1.6
119.02003	4.0
119.04943	52.9
142.03564	6.0
147.04404	100.0
147.09218	2.6
165.05228	9.2
165.10246	11.5
165.12700	2.2
166.05486	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	165.0547
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
52.64827	0.9
53.03941	1.8
55.05496	1.7
57.03416	3.4
65.03927	2.0
67.05502	2.2
67.42261	1.1
69.03424	8.8
70.06575	3.7
71.06941	1.6
75.02026	1.1
75.04480	1.4
81.07053	2.3
83.04977	6.1
83.16988	1.4
85.02897	1.7
91.05485	23.2
92.05006	2.3
93.07014	1.8
95.04962	80.1
96.00950	1.1
101.05999	2.1
103.05447	4.4
105.04523	2.0
108.04505	1.2
109.06477	3.2
110.06057	1.5
111.04464	2.1
117.07436	1.7
118.06593	2.5
119.01913	4.2
119.04940	47.9
119.05964	2.7
120.08071	1.5
121.06467	2.4
122.08391	2.8
123.04424	100.0
129.05457	1.4
132.06876	1.3
134.03552	1.6
135.09183	3.1
137.06017	2.3
137.07069	1.5
142.03481	6.1
147.04437	27.4
147.05551	6.2
147.09183	8.3
148.09941	1.8
160.04532	1.4
165.05321	8.5
165.10222	38.2
166.39876	1.3
176.59114	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
50.82706	1.2
57.07068	88.4
57.07353	4.2
63.06635	1.4
79.05482	9.2
81.07047	70.0
81.97770	1.5
93.07046	2.0
95.08588	3.1
105.07054	2.3
109.06509	100.0
116.37251	1.5
121.06511	13.4
123.08089	1.9
137.13255	2.5
165.12738	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	166.0863
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
51.02363	0.4
59.72534	0.2
77.03915	0.4
79.05466	1.6
79.66627	0.3
90.29128	0.3
91.05463	1.4
93.07040	2.5
95.04949	1.3
102.84090	0.3
103.05460	11.8
107.04944	4.4
118.06520	0.6
120.08096	100.0
131.04901	1.8
136.20474	0.3
149.06009	0.5
150.64499	0.3
166.08630	1.3
179.13115	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.1226
Annotation	Hordenine
Peak:m/z	Relative Intensity
51.02366	0.5
51.67939	0.4
53.03928	0.5
55.41926	0.5
63.05315	0.4
65.03930	0.7
77.03914	0.7
82.16429	0.5
87.58522	0.4
91.05468	5.6
93.06480	0.8
93.07033	9.6
95.04964	3.9
103.05467	5.7
105.04471	0.6
118.06522	0.5
121.06495	100.0
131.29057	0.4
146.07918	0.4
166.12239	9.9
187.94333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.1225
Annotation	Hordenine
Peak:m/z	Relative Intensity
50.01581	0.8
51.02364	1.0
53.00293	0.5
53.03936	0.9
58.47567	0.3
65.03922	1.0
66.40936	0.3
72.00185	0.4
77.03912	1.0
81.77675	0.3
83.42953	0.3
89.68678	0.3
91.04923	0.5
91.05470	8.2
93.07033	11.4
95.04957	6.1
103.05456	10.4
103.37642	0.3
105.04505	1.3
118.06512	1.4
120.07265	0.7
120.08099	10.1
121.06493	100.0
122.06823	0.8
123.81583	0.3
145.80649	0.4
166.12259	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	166.1225
Annotation	Hordenine
Peak:m/z	Relative Intensity
50.01582	0.7
51.02371	0.9
52.29020	0.2
53.03938	0.7
55.01843	0.3
58.06591	0.4
62.88816	0.2
64.36416	0.3
65.03927	0.9
77.03922	1.1
91.05463	7.0
92.35943	0.3
93.07031	10.1
95.04957	4.9
103.05456	7.6
103.06105	0.6
105.04498	0.7
118.06528	1.1
121.06490	100.0
122.06877	0.3
166.12256	10.7
171.58650	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.6
51.02374	0.6
53.00299	0.2
53.03931	0.6
58.06586	0.4
63.02362	0.1
63.27217	0.1
65.03931	0.6
77.03912	1.4
78.04684	0.2
84.15932	0.1
89.24115	0.1
91.04244	0.3
91.05473	7.8
93.07036	10.6
95.04958	6.1
102.04694	0.3
103.04749	0.3
103.05459	8.5
105.04510	1.1
118.06549	1.2
121.06495	100.0
122.06811	0.5
144.08093	0.2
166.12257	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	166.1225
Annotation	Hordenine
Peak:m/z	Relative Intensity
50.01591	0.7
51.02372	0.6
53.00293	0.2
53.03936	0.5
55.01863	0.1
58.06593	0.5
65.03924	1.0
66.04705	0.1
66.27401	0.1
70.98902	0.1
71.38351	0.1
77.03904	1.3
78.04688	0.2
81.03395	0.3
91.05467	8.5
93.07029	11.2
94.04198	0.2
95.04955	7.2
103.05454	9.0
105.04507	1.3
118.06529	1.1
121.06490	100.0
122.06798	0.5
144.08055	0.3
166.12251	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	166.1227
Annotation	Hordenine
Peak:m/z	Relative Intensity
72.52876	0.4
74.03352	0.4
78.09538	0.4
80.60812	0.5
91.05462	4.3
93.07034	9.3
95.04952	2.6
103.05453	5.6
120.08117	0.4
121.06496	100.0
122.06793	0.5
135.77600	0.6
166.12260	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	166.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
58.06577	0.6
74.84671	0.5
76.12568	0.4
77.03906	0.5
90.47067	0.5
91.05470	4.5
91.71063	0.6
93.06485	0.7
93.07036	8.7
95.04955	3.0
103.05454	6.1
105.04488	0.8
111.30032	0.6
118.06515	0.5
120.08073	0.7
121.06498	100.0
131.16516	0.5
166.12254	13.2
172.79015	0.5
178.76590	0.4
180.22900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54552	47.2
68.15658	53.8
75.88857	63.5
108.52111	60.0
129.04218	60.1
137.26535	76.9
148.25658	61.6
150.05476	100.0
166.80978	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0518
Annotation	7-Hydroxyguanine
Peak:m/z	Relative Intensity
53.30861	3.8
53.47514	4.9
53.99287	3.4
79.03674	3.6
88.97973	4.2
103.00636	12.2
104.00928	4.7
121.01652	84.3
121.02386	6.9
122.01965	43.8
122.06820	11.2
123.07103	5.1
123.97411	4.7
125.03867	4.8
126.02215	10.5
126.05556	5.3
127.02536	6.9
139.02672	31.4
140.03076	10.4
144.03230	96.5
145.03571	63.9
162.04298	23.2
163.04671	11.9
167.04823	100.0
168.05168	99.0
169.05444	6.3
185.05910	8.6
186.06256	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	168.1384
Annotation	4-Epimyrtine
Peak:m/z	Relative Intensity
50.99202	1.8
53.03942	2.3
55.05487	9.0
55.60435	1.9
56.96548	2.7
57.03420	4.2
67.05495	24.1
70.06583	82.0
70.85611	2.3
79.05468	10.3
81.07050	79.2
83.04934	3.9
91.05473	70.2
93.07049	5.3
95.04963	5.9
95.08590	6.7
100.30676	2.2
101.98243	2.8
105.07014	8.9
107.08578	4.4
109.06514	11.6
122.06006	2.4
122.09602	5.6
123.11721	8.1
133.10107	8.7
150.12761	6.2
151.11163	18.9
168.13831	100.0
189.18831	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	169.0495
Annotation	DHMAL
Peak:m/z	Relative Intensity
51.58764	1.1
53.00290	1.4
55.05515	1.6
55.41846	1.3
56.96575	2.0
57.27746	1.1
63.17958	1.2
64.66843	1.4
65.03931	93.3
67.05504	2.6
81.03429	3.6
81.07066	1.7
93.03388	10.2
95.04990	5.9
109.02909	5.1
109.10242	2.6
110.03649	12.7
110.91058	1.2
111.00893	1.3
111.04431	100.0
123.04478	5.1
123.07101	1.6
123.11668	2.6
125.05978	36.0
126.03128	1.7
130.96295	1.2
133.02917	2.3
134.06004	30.9
141.05479	5.6
151.03911	20.3
151.04990	1.6
168.27544	1.4
169.04994	11.5
169.07542	1.4
169.90689	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	169.0494
Annotation	2-(3,5-dihydroxyphenyl)acetic acid
Peak:m/z	Relative Intensity
52.79969	1.4
53.03925	1.8
55.01859	3.1
56.96555	4.0
61.62444	1.5
65.03928	11.7
67.05492	9.9
77.03912	6.0
79.05470	1.5
81.03389	3.5
81.07037	2.6
83.04980	2.0
85.02892	2.4
90.95120	1.5
93.07053	2.3
95.04973	23.9
95.08614	2.3
105.03382	13.6
105.04471	2.0
109.02855	2.2
109.06443	1.5
111.04446	13.3
120.54554	2.1
122.06855	5.0
123.04424	51.8
123.07146	9.4
123.07924	1.8
124.07352	3.6
125.06003	4.2
133.02847	100.0
134.06033	3.5
135.76678	1.9
139.03940	2.0
141.05489	2.3
151.03915	22.0
168.12939	2.0
169.04955	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	169.0495
Annotation	3,4-Dihydroxyphenylacetate
Peak:m/z	Relative Intensity
55.01858	4.2
55.05507	2.8
56.20310	2.1
56.96560	14.2
60.93329	2.0
62.41628	2.0
64.83330	2.1
65.03925	7.5
67.05479	13.5
68.99773	4.3
69.07040	2.2
77.03931	5.9
79.05487	6.7
81.03401	8.7
81.07054	7.4
82.06653	2.4
83.04947	7.3
85.02903	3.8
91.05469	7.7
93.07036	5.6
95.04955	31.1
95.08585	5.7
95.23264	2.8
97.02879	3.6
97.99184	2.8
105.03384	11.3
109.02892	9.0
109.06522	3.2
111.00805	28.2
111.04473	6.5
122.06833	5.7
123.04429	42.6
123.07092	14.5
123.08009	3.7
124.07400	2.8
126.03123	35.1
131.98224	2.6
133.02844	71.1
134.06018	3.2
140.20683	2.9
141.05457	100.0
151.03889	17.3
169.04947	67.1
169.06282	5.1
169.07498	3.6
169.09750	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	169.1223
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
55.05484	9.5
56.96557	8.4
57.03445	3.8
59.04999	21.3
59.05233	3.5
65.03930	12.3
67.05495	43.7
69.03419	23.0
69.07065	29.5
71.04974	11.7
78.45316	4.0
79.05479	17.5
81.03406	6.0
81.07046	98.0
83.04971	5.6
85.06553	6.3
87.88920	3.7
91.05489	16.9
93.07033	47.8
95.04952	25.0
95.08580	23.6
105.03367	4.8
105.07005	31.2
107.08584	49.4
109.02823	3.9
109.06520	41.5
109.10146	72.5
111.04472	9.4
111.08067	14.8
114.57862	3.9
121.10152	16.2
123.04436	10.1
123.08071	7.6
123.11696	61.4
125.09634	6.6
127.37994	3.8
133.02866	14.5
133.10129	13.9
139.11169	9.7
141.05441	4.0
151.11171	100.0
169.04993	10.4
169.12218	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	169.1223
Annotation	(3S)-3-Hydroxycyclocitral
Peak:m/z	Relative Intensity
53.03930	1.4
55.05497	5.4
55.92049	1.3
56.67010	1.5
56.96550	1.7
57.03424	1.7
57.07058	3.7
59.04992	2.5
62.25609	1.4
65.03916	1.8
67.05499	18.2
67.51908	1.5
69.03423	4.6
69.07057	6.2
71.84216	1.6
73.49236	1.8
75.42715	1.7
79.05481	7.9
81.07040	39.9
83.04955	3.9
83.08607	3.4
91.05475	6.3
91.71597	2.8
93.07034	12.9
95.04963	7.9
95.08603	23.0
97.06516	3.9
105.07036	13.7
107.08586	14.7
109.06512	17.4
109.10157	38.1
111.08092	2.1
121.06509	2.6
121.10138	100.0
121.55123	1.7
123.08067	25.6
123.11694	37.7
125.09634	19.9
133.10107	3.7
136.08839	2.7
139.11124	2.8
151.11165	58.2
151.12306	3.4
167.60683	1.9
169.12222	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	169.1222
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.00285	4.1
54.65624	2.9
55.05494	9.0
57.03426	3.4
57.07066	4.6
59.04997	6.3
65.03923	7.2
67.05492	47.8
69.03394	3.9
69.07059	30.3
71.04985	17.2
79.05486	21.3
81.06602	6.3
81.07050	100.0
83.04987	4.0
91.05464	22.4
93.07018	17.9
95.04961	14.1
95.08620	17.5
105.07015	22.6
107.08594	55.3
109.06530	12.4
109.10149	30.4
113.05978	7.9
120.35777	3.6
121.10157	5.1
123.04396	6.8
123.08040	5.2
123.11700	53.7
125.09618	15.1
133.02866	7.1
133.10126	17.7
151.11174	27.6
169.12247	11.7
169.84328	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	169.1223
Annotation	(-)-1,2-campholide
Peak:m/z	Relative Intensity
55.01865	4.2
55.05503	6.7
56.96568	2.9
57.03424	3.9
57.07059	11.6
63.48559	2.1
65.03920	4.2
67.05497	29.5
69.03412	4.4
69.07060	10.7
70.06577	2.9
70.56834	2.3
71.04987	7.9
76.34225	3.0
79.05486	6.0
81.03417	3.0
81.07040	26.4
82.06541	3.6
83.04948	3.5
83.08607	5.0
83.69818	2.4
85.02894	3.3
85.06546	7.6
91.05448	3.5
91.71048	4.2
93.07043	10.5
95.04980	6.3
95.06137	2.9
95.08597	35.0
97.06512	3.5
97.27934	2.4
97.99220	2.3
98.56448	2.5
105.07002	3.0
107.08577	5.8
109.06496	8.1
109.10157	88.1
111.08072	100.0
112.05732	2.8
113.06016	3.2
123.08075	8.8
123.11699	17.2
127.11186	89.7
151.03957	6.0
151.07559	3.7
151.08629	4.1
151.11194	5.6
152.03413	5.1
169.12177	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	170.027
Annotation	Thiobenzamide S,S-dioxide
Peak:m/z	Relative Intensity
51.88951	0.5
52.51123	0.5
56.05011	0.6
56.96536	0.6
57.03421	1.0
63.16683	0.5
63.32280	0.5
65.03931	8.0
65.89743	0.5
66.04701	1.7
67.05495	1.1
69.07007	0.6
70.70936	0.5
71.04984	1.1
78.21544	0.5
79.05486	0.6
79.30200	0.5
80.04561	0.7
80.05007	13.4
80.40710	0.5
81.07056	0.7
82.99548	5.6
83.04948	1.1
84.04489	3.2
91.04214	4.9
96.04490	1.4
96.08121	1.6
96.43483	0.6
97.01102	6.7
100.78171	0.5
106.06525	0.8
108.14756	0.5
110.06019	1.2
124.07569	2.9
124.50751	0.6
142.08626	1.3
142.55853	0.6
152.04247	2.0
152.07057	2.0
167.49823	0.6
170.02696	100.0
170.08150	6.3
170.09546	1.4
173.44455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	6.3
68.04979	3.3
81.03392	4.0
82.18572	2.5
84.04474	5.2
91.71725	3.5
115.05444	49.7
124.07594	5.5
134.06015	2.9
142.06526	29.0
142.08656	5.2
142.28926	2.5
146.98642	2.5
152.07024	6.0
170.05988	100.0
170.08144	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	170.0812
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
55.05513	2.3
56.05021	11.3
61.45370	2.0
64.62778	2.3
64.74184	2.3
66.03432	2.3
66.50956	2.3
68.04996	3.3
69.03403	2.5
69.07066	2.6
70.06573	4.3
71.17328	2.5
79.05473	4.9
80.05000	4.4
81.05777	2.7
82.02917	4.4
82.06575	9.1
83.01328	5.0
84.04499	44.6
88.02188	3.0
94.98022	2.7
96.04486	2.8
96.06865	7.5
96.08124	38.1
97.06550	2.6
98.06037	3.5
106.06537	3.0
107.04967	2.5
109.07672	6.1
110.02393	16.6
110.06026	8.5
114.05523	10.1
123.06824	7.7
124.07595	38.0
124.08578	5.4
128.07045	4.8
134.06006	66.9
134.07016	3.2
136.06175	10.8
142.04958	13.0
142.08633	18.7
142.91647	2.7
152.07059	100.0
153.05545	4.6
170.08099	66.0
181.59625	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	170.0812
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
55.05490	2.4
56.05022	3.6
57.03413	2.7
58.42089	1.8
66.82829	2.5
68.05005	8.8
68.90852	1.9
69.03415	5.0
70.06574	5.2
70.56673	2.2
72.08138	3.8
74.08195	2.4
79.05486	3.6
79.29557	2.2
80.05007	5.5
80.59230	2.0
81.03423	4.1
82.06573	8.4
83.04956	3.1
83.06091	10.2
84.04486	30.4
85.02899	2.7
85.44109	2.4
87.04460	2.7
94.06561	2.2
95.06058	4.9
96.04503	3.4
96.06867	45.9
96.08119	25.1
97.07630	12.5
100.07579	2.7
101.78212	2.1
103.41665	2.1
106.06574	9.3
108.04491	4.0
109.07633	38.9
110.02409	4.4
110.06046	15.8
114.05559	5.4
123.06803	10.4
124.07603	44.1
124.08714	57.4
125.07127	4.3
126.10288	10.5
128.07094	8.8
131.82147	2.3
134.06007	45.3
142.04973	4.1
142.08659	13.0
152.07066	100.0
153.05492	3.7
170.08099	51.6
170.09305	30.5
170.11638	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	170.0924
Annotation	3-methylhistidine zwitterion
Peak:m/z	Relative Intensity
50.46436	1.6
56.05019	3.7
68.05010	7.9
68.82439	1.7
70.06551	2.0
71.54352	1.9
71.70544	1.7
71.74169	1.9
77.42450	1.8
80.05022	2.8
81.04536	2.8
81.26015	2.3
82.06554	4.3
83.06094	22.9
84.04494	5.7
91.51066	1.9
92.93182	2.1
95.06077	16.1
96.06870	100.0
96.08125	3.6
97.07646	26.2
109.07641	76.2
109.08382	4.6
121.89072	2.3
124.07656	6.7
124.08713	91.7
125.07095	7.1
126.10265	22.4
134.06015	8.2
152.07066	12.5
153.06631	5.0
170.08090	5.9
170.09261	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0964
Annotation	Diphenylamine
Peak:m/z	Relative Intensity
52.28454	1.4
53.67615	1.4
56.96545	2.2
65.03899	2.5
69.23206	1.3
81.03397	2.2
83.04993	1.8
84.04494	26.0
84.98171	1.5
86.87582	1.4
91.28840	1.4
92.04999	23.8
93.05770	49.6
96.08100	2.6
100.02427	1.9
110.06015	1.7
123.04027	2.8
124.07611	3.8
130.04970	7.2
130.23506	1.6
133.07588	5.6
142.08617	2.3
152.07088	3.2
158.29984	1.7
164.04263	2.2
170.08174	6.4
170.09621	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19958	18.2
54.59429	15.8
56.86106	18.5
57.03426	24.5
62.35179	17.9
81.03435	29.7
83.06103	23.3
84.04510	54.2
85.19250	20.2
96.06868	100.0
97.07141	33.7
103.07996	19.1
108.63681	21.9
109.07641	85.7
110.07964	52.4
124.08733	78.6
125.09071	73.1
126.10233	24.7
130.05013	39.2
154.03348	20.9
164.04308	34.7
165.05144	26.7
170.09258	68.4
171.09644	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	171.0652
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
52.22398	1.1
53.03931	1.4
55.01847	1.4
55.05507	3.2
56.96549	3.0
57.03411	1.7
65.03658	1.0
65.03930	8.5
66.84345	1.0
68.02637	5.2
68.99778	2.2
69.03406	3.0
69.07072	1.2
69.41261	1.0
71.74462	0.9
72.04494	2.1
73.02903	1.1
79.01834	4.8
79.05492	1.4
81.03417	2.9
83.04968	12.0
84.04488	17.9
88.82527	1.0
89.07156	2.0
97.02892	1.6
97.10104	1.0
97.30057	1.1
98.97578	1.9
110.78751	0.9
111.04433	100.0
119.22464	0.9
121.03992	1.6
125.06020	1.9
130.04984	7.0
139.03894	23.6
153.05475	2.2
155.52380	1.2
171.06529	13.7
179.85281	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1379
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
53.00308	1.8
53.03959	2.3
55.05505	14.4
55.38261	1.1
56.96560	1.5
57.03428	2.1
57.07068	8.1
59.04982	7.5
61.02928	4.3
67.05498	38.9
69.07057	77.8
71.05008	3.1
72.04525	2.1
76.29773	1.5
76.30248	1.4
79.05477	20.0
81.07049	23.3
83.08609	12.0
84.04502	13.2
90.78418	1.2
91.05474	14.3
93.07034	55.7
94.77835	1.3
95.04985	6.0
95.08596	32.2
95.09142	2.3
95.61304	1.5
97.06559	4.2
97.10213	1.4
104.36848	1.2
104.43405	1.3
105.07060	4.0
107.08585	59.4
109.06527	2.7
109.10149	100.0
111.11754	4.3
130.05045	6.0
135.11693	38.6
135.12636	2.8
153.12810	4.5
171.48660	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	171.138
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
52.98904	1.9
53.00292	7.8
55.05493	10.5
56.05022	4.0
56.96558	5.3
57.03426	6.3
57.07058	5.8
59.04979	7.4
60.87181	2.4
61.02914	2.2
67.05496	5.0
69.03420	4.2
69.07065	18.1
71.04980	25.6
72.04504	4.6
72.43098	2.5
73.06563	13.5
79.05488	22.2
81.06605	4.8
81.07051	77.6
83.08614	5.9
84.04496	100.0
86.62832	2.6
89.07150	3.6
91.05467	10.9
93.07036	58.0
95.04935	2.8
95.08610	10.6
97.06515	7.7
98.97598	2.8
104.74084	2.3
105.06980	2.9
106.99637	2.4
107.08585	64.8
109.10147	22.5
111.04507	2.6
119.08720	2.4
130.05000	46.7
131.08263	2.5
135.11682	46.0
135.77887	2.6
153.12729	14.0
158.39490	2.8
160.04465	2.6
171.15005	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	171.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95965	1.2
55.05256	1.1
55.05502	13.4
56.04980	1.8
56.46721	1.2
56.96534	1.7
67.49425	1.5
72.04504	100.0
83.08157	1.9
83.08611	27.3
84.04492	30.1
89.07143	85.0
130.04996	12.8
171.14906	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	3.5
56.96550	2.9
57.07067	100.0
59.99101	15.1
60.10778	0.7
69.03428	1.1
80.05008	0.8
84.04486	5.6
85.04840	4.6
91.71010	1.4
116.05302	16.6
126.09147	3.1
130.04962	1.1
131.05339	2.4
140.00174	0.9
152.22519	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28368	1.0
54.26595	0.9
56.96542	4.4
57.03415	1.3
57.07071	13.1
58.02642	1.1
60.04237	2.2
60.04516	25.4
71.27493	1.1
74.09704	6.9
84.04467	2.0
85.02876	1.2
85.04220	1.1
85.04783	2.0
89.19976	1.2
116.10721	33.4
121.57692	1.3
126.09143	2.4
130.15924	24.3
156.10185	1.4
162.60504	1.3
172.16948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50076	1.1
56.79377	1.0
56.96561	5.4
57.03407	2.5
57.07069	19.5
66.30262	1.0
67.05486	1.6
69.03385	1.2
72.04496	5.2
81.03388	1.8
84.04496	6.9
85.04816	6.8
98.06036	1.2
98.97586	1.8
102.09161	4.3
109.10144	1.5
116.10715	4.9
126.09125	9.0
130.04993	2.4
130.12212	1.8
130.72871	1.3
131.05331	3.8
133.92911	1.3
140.00177	1.4
162.54602	1.4
162.65771	1.3
170.01340	1.3
172.09668	2.4
172.16951	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25150	2.0
56.96550	6.5
57.03436	2.9
57.07065	17.9
62.28833	2.1
64.99954	2.2
67.05476	2.1
69.07053	2.3
71.08652	4.0
72.76552	2.5
74.06050	11.7
84.04479	6.6
85.04822	8.1
85.10129	3.9
88.07616	37.2
102.09192	16.0
116.10767	5.7
126.09142	5.4
131.05313	4.5
172.16948	100.0
181.04340	2.8
184.68993	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	173.0597
Annotation	4-(Furan-3-yl)benzaldehyde
Peak:m/z	Relative Intensity
55.05486	3.3
56.96535	1.4
60.75787	0.9
70.99651	0.9
78.27334	1.0
78.46030	1.0
79.25976	0.9
81.07018	1.0
83.04971	2.2
84.04481	1.5
86.09657	1.3
87.34978	1.1
87.45170	0.9
91.05471	1.5
93.07005	1.2
94.78446	1.0
101.06031	2.7
110.46532	1.0
111.04434	3.8
115.05444	100.0
117.06990	3.6
129.05470	2.9
143.04904	28.8
155.07028	2.6
161.05942	3.1
172.95570	1.5
173.04488	3.4
173.05960	41.3
173.08281	4.2
184.07590	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	173.0809
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
51.77297	1.6
53.03945	4.1
55.01868	3.9
55.05505	7.2
56.96555	9.2
57.03432	4.6
57.32592	2.1
58.06578	3.6
59.04999	3.4
65.03931	3.1
67.05498	12.6
68.05018	2.0
69.03423	7.4
69.07067	3.5
70.06250	2.5
70.06577	13.8
70.95876	2.4
71.04982	5.3
72.08137	4.1
72.93790	2.5
73.02899	2.9
74.06059	2.1
77.03888	2.8
79.05481	11.7
81.03394	5.3
81.07049	48.9
82.06587	2.4
83.04964	10.9
84.04488	4.5
84.08144	2.3
85.02908	3.5
85.06545	3.1
86.06066	8.6
86.09700	77.6
91.05475	40.6
93.07036	100.0
95.04956	30.9
99.04444	3.4
101.06007	2.7
109.06519	28.2
111.04430	18.9
111.08115	2.8
113.02377	2.7
114.05543	7.8
116.07099	4.2
118.06621	3.7
119.04967	4.2
126.09174	3.5
127.03932	4.8
127.07662	2.3
127.09526	6.3
128.07085	7.4
129.05534	3.8
132.10226	9.5
137.05971	14.1
142.08492	2.3
155.03419	4.6
155.07043	18.2
155.97470	2.5
173.04428	21.2
173.08110	10.6
173.09888	2.0
192.08098	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	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.08276	3.2
55.05511	5.0
56.96569	3.0
57.00384	2.8
57.03431	2.8
62.90672	2.9
67.05510	4.9
74.82942	3.2
76.03874	3.2
81.07069	8.1
83.04988	7.4
84.04525	5.8
86.09714	6.1
91.05515	15.1
93.07080	7.0
101.06001	5.0
105.07073	14.5
111.04459	8.7
117.07065	7.6
119.08611	8.1
129.07031	7.8
129.93138	3.6
131.08560	76.1
133.10175	4.4
143.08517	18.6
143.70566	3.6
144.05411	3.6
145.10078	21.4
155.07108	4.8
158.10895	25.4
173.08315	10.8
173.13248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.78689	2.1
55.05498	5.7
56.96577	2.5
62.73309	2.5
66.60748	2.4
81.07040	5.9
83.04971	5.3
84.04502	4.3
86.09715	4.3
90.90373	12.0
91.05473	10.2
91.71126	4.1
101.05959	3.9
105.07023	19.5
111.04412	3.9
117.07019	3.6
129.05406	3.5
129.06921	3.6
131.08557	100.0
131.92999	4.9
144.09277	3.0
145.10098	8.3
149.94093	4.9
155.07025	5.8
165.27122	3.2
172.95602	14.2
173.04506	4.7
173.08246	9.2
173.13208	34.0
180.16321	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	173.1537
Annotation	Isobutyl hexanoate
Peak:m/z	Relative Intensity
55.05487	9.8
56.96552	6.6
57.03421	2.6
57.07070	100.0
62.00634	1.9
67.05488	9.5
69.03436	2.2
69.07049	6.4
72.93789	3.0
81.03378	2.3
81.07045	11.0
83.04974	10.3
83.08579	3.4
86.06062	2.6
86.09690	3.8
91.05473	3.1
91.71690	2.3
95.08598	7.0
100.26466	2.5
101.06016	5.8
104.76432	2.6
104.77154	2.2
109.06494	2.8
109.10163	8.8
111.04465	7.8
113.96415	3.4
127.11214	18.2
129.05470	3.6
131.08553	3.8
137.06052	2.9
146.08197	2.6
155.07042	8.6
155.14305	9.9
159.87982	2.3
173.08308	9.7
173.13295	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	173.9848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66560	22.6
53.05103	21.2
54.13167	24.1
54.27552	22.8
70.06519	29.6
75.05443	30.7
88.42611	27.5
113.55186	33.9
127.64957	29.7
128.07158	37.9
174.12743	100.0
185.74500	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	174.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.3
55.05500	5.2
56.05006	5.5
56.96548	7.8
57.03422	2.5
58.02937	3.3
58.06579	6.4
60.04509	4.6
60.07308	2.0
65.11951	2.2
67.05498	5.2
68.05029	13.1
68.05356	2.3
69.03413	9.1
70.06585	77.6
70.95853	16.3
71.04982	3.5
71.06113	4.7
72.04504	4.2
72.08144	5.6
72.93793	14.4
74.06085	2.9
79.38776	2.0
81.07061	2.3
82.06566	17.0
83.04941	5.1
84.04505	18.2
84.08143	9.4
84.87935	2.5
85.02911	2.7
86.06064	54.1
87.04466	7.2
87.09998	3.7
89.88523	2.2
90.94804	3.2
91.09161	2.6
91.71581	3.3
94.07365	3.9
95.04921	2.5
95.08543	3.0
96.04498	3.9
97.02870	5.5
98.06069	3.1
100.07603	9.9
101.04743	6.7
102.05540	10.9
110.06059	15.6
110.06731	3.0
110.09686	9.0
110.25168	2.1
111.04456	4.3
111.98454	19.7
113.96413	6.9
114.05525	39.6
114.09159	2.3
115.03913	4.7
116.98415	2.4
126.05566	2.6
127.03922	2.9
128.07079	100.0
128.10718	18.9
130.08630	3.0
132.06572	10.1
132.87984	2.7
132.95818	14.9
139.03891	3.9
146.06038	7.4
146.08127	9.2
150.96880	21.7
153.01129	13.9
155.97398	21.7
156.06514	25.9
156.10202	7.6
173.98523	17.8
174.05455	4.9
174.07640	24.5
174.08992	4.8
174.11279	10.2
174.12537	4.8
180.03595	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	174.0761
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
56.05022	7.4
56.96547	5.6
57.03425	12.1
57.07047	3.4
60.04516	51.0
65.50819	4.1
68.05024	7.1
69.03418	15.3
70.06585	7.9
84.04479	28.8
85.02879	11.9
86.06026	9.2
96.04502	9.4
97.02883	100.0
102.05523	11.0
111.98490	4.5
114.05518	30.8
115.03955	9.4
128.07030	6.1
132.06551	5.3
174.07605	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0761
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
56.05015	4.8
57.03434	13.2
60.04239	3.5
60.04518	54.6
68.05004	5.9
69.03425	18.5
70.06574	2.7
83.83261	2.5
84.04491	32.3
85.02887	14.7
86.06040	4.2
91.71640	3.5
96.04486	13.3
97.02881	100.0
100.03899	2.3
102.05523	8.1
112.66230	2.3
114.05514	39.8
115.03881	7.5
119.12386	2.5
125.18906	2.2
132.06578	5.2
174.07596	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0762
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
50.38426	1.9
50.53265	2.1
51.16603	1.8
56.05021	5.0
57.03426	12.2
57.07053	3.0
60.04518	46.5
60.05627	2.2
68.05009	3.9
69.03427	18.1
70.06580	2.5
72.11637	2.4
72.47250	2.2
82.82767	2.3
84.04499	40.6
85.02901	14.5
86.06065	10.8
90.61472	2.6
92.92678	2.5
96.04497	12.0
97.02889	100.0
102.05537	9.7
107.31755	2.8
114.05524	38.7
115.03953	10.0
121.80327	2.6
128.07091	11.3
128.10709	3.9
131.08591	3.8
132.06598	7.1
132.08904	3.5
146.10405	4.6
149.83946	3.2
156.06567	4.0
173.13217	3.1
174.07625	81.6
174.09091	4.5
174.13188	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	174.0762
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
50.28056	2.1
53.26748	2.1
55.01893	3.2
55.05518	13.0
56.05031	7.9
57.04562	6.5
58.06603	7.5
60.04530	9.5
61.51168	2.8
67.05510	7.5
68.05025	19.6
69.03440	4.5
70.06586	39.5
70.06941	3.4
71.06108	26.7
72.08163	4.1
74.02441	5.0
77.70494	2.7
82.06590	20.6
82.07413	4.5
83.04993	3.1
84.04473	16.1
84.08148	7.6
85.02849	2.8
86.06059	100.0
86.06544	5.3
86.09732	7.9
87.04455	46.5
88.08779	6.2
93.07055	6.5
94.07389	5.3
95.08632	3.3
96.04515	6.7
100.07659	9.6
101.04774	10.3
102.05576	8.6
104.07137	9.1
110.06052	20.5
110.09673	72.7
111.08086	5.3
114.05519	46.7
114.06226	3.0
114.09231	3.7
128.05441	4.7
128.07077	89.0
128.10710	84.3
128.11655	3.9
132.06557	15.9
138.05519	6.3
146.08125	4.2
155.97440	4.9
156.06560	19.4
156.10150	26.8
174.07628	24.3
174.08842	3.4
174.11252	49.2
174.12468	84.3
177.61285	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	174.1126
Annotation	N-Acetylisoleucine
Peak:m/z	Relative Intensity
55.01868	1.4
55.05476	5.9
56.05014	4.0
56.89901	1.4
57.96233	1.4
58.06568	2.9
59.04979	2.0
60.04505	2.0
60.65876	1.4
65.71011	1.3
67.05481	2.9
68.05021	10.1
69.03384	1.9
70.06243	2.5
70.06583	33.8
70.95827	2.0
71.06078	5.0
72.08111	2.3
73.61758	1.5
73.97504	1.4
74.02421	2.8
79.11004	1.4
79.15631	1.5
82.06570	16.7
83.04995	1.9
84.04463	6.5
84.08113	6.7
86.06062	37.6
86.09693	2.1
87.04466	10.1
88.03939	1.6
88.07590	2.0
91.71646	3.2
93.07006	4.0
96.08124	1.7
100.07574	3.1
101.04732	2.4
102.05524	4.1
110.06023	5.4
110.08968	2.6
110.09682	39.2
110.70951	1.7
111.08033	4.5
111.98526	1.8
114.04786	3.0
114.05522	38.3
114.09128	3.4
117.88522	1.6
128.07076	56.6
128.10713	100.0
132.06537	4.3
138.09091	3.3
149.80350	1.7
156.06494	7.0
156.10184	21.6
174.07631	14.7
174.11211	62.9
174.12413	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	174.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	2.0
56.96548	2.8
57.07069	30.0
60.04495	1.6
60.59614	1.8
62.00412	2.2
62.00668	26.2
66.73190	1.9
70.06562	3.9
73.73722	1.6
75.82056	1.9
76.02221	3.7
82.06596	3.0
86.06053	5.6
86.09678	3.2
90.03778	5.0
114.05508	3.3
114.93817	2.4
118.06873	43.0
123.74170	2.0
128.07094	6.2
132.08391	9.6
155.52933	2.1
156.06506	3.5
174.07693	4.0
174.09111	3.0
174.13104	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05822	0.7
57.58662	0.6
58.06589	6.3
71.07372	0.7
72.08144	13.7
80.38260	0.6
92.83611	0.6
98.15240	0.6
114.12799	100.0
155.58119	0.6
174.14888	19.2
178.03587	0.7
194.95917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.5
55.05489	2.0
55.83317	1.0
55.95268	0.8
56.05024	1.4
56.96540	1.9
58.06594	40.7
59.07375	25.3
60.08153	11.9
67.05488	2.0
68.05007	2.3
69.03410	2.0
69.07058	2.4
70.06577	5.5
70.95850	5.2
71.04930	0.8
72.08128	2.8
72.93789	4.4
73.02903	1.2
73.06525	1.5
74.02409	2.2
82.06571	4.8
83.04955	1.9
84.04494	5.2
84.08114	2.5
85.02876	1.6
86.06060	16.6
87.04444	1.4
88.96915	1.2
93.06997	1.0
94.07361	1.0
95.05005	1.1
96.04492	1.1
97.02873	1.9
98.06039	0.9
100.07600	2.6
101.04739	2.8
102.05533	2.6
110.06028	3.2
110.09631	1.5
111.04427	1.7
111.93161	1.0
111.98472	6.3
113.96397	2.9
114.05534	8.9
127.03873	1.0
128.07071	20.1
128.10716	5.2
129.99486	1.2
132.06511	2.7
132.95818	6.4
139.03885	1.2
146.06004	1.2
146.08104	2.2
150.96849	6.7
153.01065	4.4
155.97423	6.9
156.06528	3.6
163.39662	0.9
173.98474	5.8
174.07558	5.4
174.11217	3.3
174.14885	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80243	1.9
53.00301	2.1
57.07068	22.3
58.06568	6.0
60.04510	5.9
62.06078	21.5
63.83237	2.4
69.03397	5.0
70.06584	6.8
71.08622	22.5
84.04463	4.9
86.06073	2.7
91.71668	3.4
96.04456	3.2
97.02902	14.9
97.03403	2.3
114.05553	3.8
128.07089	3.6
132.08080	2.6
134.71974	2.3
135.46136	2.6
136.59398	2.9
156.17448	9.6
174.07594	9.3
174.18520	100.0
175.07552	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	175.0753
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
53.89098	1.5
65.86771	1.7
70.06579	4.9
82.73529	2.3
84.84453	1.8
85.31662	2.1
85.47599	1.8
91.05472	1.9
95.62284	1.9
109.09553	2.2
109.97096	2.0
115.05432	43.4
117.06998	8.1
128.06140	3.6
129.06978	5.6
131.04887	3.2
132.05690	9.6
143.04889	3.1
144.05705	11.4
147.08038	3.6
157.06384	2.2
160.05167	68.6
175.07526	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0753
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
54.12603	2.0
58.65927	2.8
60.05638	22.9
64.76309	2.2
69.88483	2.5
70.06240	4.5
70.06582	58.1
72.08118	2.5
74.52912	2.5
75.36597	2.0
83.04942	2.9
91.05444	3.9
97.02844	2.5
98.98438	2.9
99.01995	2.4
115.05448	41.6
116.06324	3.4
116.07063	14.4
117.06998	9.4
119.08485	3.4
128.06285	3.2
129.06970	3.8
130.06511	14.4
130.09752	5.0
131.98671	2.7
132.05693	8.5
136.23308	2.8
140.66251	3.1
142.19450	2.5
143.04883	5.6
144.05701	11.0
147.08073	8.1
160.05180	64.7
175.07533	100.0
175.11836	11.0
189.98303	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	175.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94374	1.6
60.05624	7.9
70.06581	24.9
72.08145	2.2
84.69872	1.9
88.11657	1.9
91.05466	3.5
92.54069	2.1
98.98460	3.0
115.05440	43.0
116.06310	2.7
116.07079	6.7
117.07008	8.9
124.80839	2.2
127.59797	1.9
129.07028	2.7
130.09790	4.3
132.05707	5.7
143.04942	5.7
144.05701	9.3
147.07948	2.3
160.03822	2.7
160.05186	69.9
175.07532	100.0
175.11841	5.2
185.48126	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	175.0753
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
60.05621	8.7
63.35906	1.7
64.30090	1.8
70.06579	26.6
80.68923	1.9
88.03963	2.1
91.05466	2.8
91.58543	2.2
103.05467	2.8
106.61626	2.1
115.04680	3.1
115.05450	39.4
116.06247	4.9
116.07066	6.3
117.07005	8.8
129.06981	2.6
131.04932	4.9
132.05748	6.0
143.04893	6.5
144.05714	14.2
147.07973	4.4
160.05176	65.0
175.07532	100.0
175.11868	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	175.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05633	14.1
70.06579	37.5
72.08141	4.0
78.11089	2.9
91.05457	13.3
105.07047	4.0
115.04682	4.2
115.05448	50.4
116.06256	4.9
116.07100	9.7
117.07016	11.7
119.08568	10.8
128.06186	4.5
129.07028	5.2
130.09741	5.0
132.05678	11.8
143.04913	10.4
144.05670	8.9
147.08044	8.0
158.09100	3.5
160.05176	72.0
175.07529	100.0
175.11771	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	175.0754
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
50.99893	1.9
55.01868	3.3
56.96539	4.2
60.05639	14.3
61.71091	2.0
63.54020	2.2
66.19997	2.2
69.03418	4.1
70.06583	39.0
78.04694	6.5
91.05465	38.5
95.04948	3.1
97.02873	3.3
98.98455	4.3
103.05463	6.2
104.06252	28.5
105.07038	6.2
107.04938	8.0
111.04440	4.1
115.05458	46.6
116.07107	8.5
116.82444	2.7
117.06979	20.6
119.08570	36.5
128.06223	13.0
129.06981	13.7
130.09789	5.2
131.04897	9.3
132.05707	50.4
143.04881	5.3
144.05751	3.5
145.06454	12.8
147.08051	42.8
160.05185	38.5
175.03920	3.8
175.07532	100.0
175.11890	4.4
175.14920	3.0
181.94099	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	175.0754
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
52.28206	5.8
56.96556	18.1
57.03418	8.3
58.54916	6.7
60.05634	36.1
61.94704	6.0
65.22809	8.7
65.23461	8.5
69.03413	11.7
70.06587	100.0
80.48686	7.7
82.82111	6.8
83.04981	13.5
87.04477	7.2
89.16537	6.3
91.05466	69.9
95.04962	10.5
97.02885	15.3
98.98488	11.2
105.07025	53.4
111.04452	9.9
112.38025	7.0
115.05466	13.8
116.07076	21.1
117.07024	16.7
119.08584	76.4
129.07014	13.1
130.99123	7.3
131.08589	11.9
133.06485	8.8
134.78651	6.9
147.08035	74.6
160.05200	19.7
168.81528	8.0
175.03850	9.8
175.07483	42.8
175.11975	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	175.0753
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
55.01868	2.9
56.96555	3.5
60.05628	6.8
66.89719	2.6
69.03439	3.9
70.06584	24.0
79.05465	5.6
91.05468	62.5
95.05005	3.6
98.98499	4.2
103.05501	7.0
105.07021	61.4
107.04897	3.2
115.05479	9.8
116.07088	8.0
117.06995	20.7
119.04946	7.6
119.08571	79.2
129.06975	7.1
131.08543	4.5
133.06499	7.8
144.05745	3.8
147.08035	100.0
160.05186	15.3
175.07518	31.8
175.12021	3.2
175.14760	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	175.0755
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
58.69761	1.9
60.05629	9.1
65.29214	2.0
69.53358	1.9
70.06580	21.0
79.05489	5.9
91.05477	58.9
91.33257	1.8
91.71623	2.3
93.07051	3.3
95.04977	4.5
98.98444	4.2
103.05450	3.5
105.07027	67.1
107.05005	2.5
115.05404	4.1
116.07081	5.2
117.07019	15.8
119.08577	92.1
129.07014	3.4
133.06499	8.9
147.08043	100.0
160.05264	4.0
175.07492	13.0
175.11935	5.0
185.03189	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	175.0754
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
51.70837	3.2
55.01863	4.4
56.96560	9.9
67.05513	4.2
67.26637	3.8
69.03425	10.4
69.07048	3.9
75.72489	3.9
78.04669	4.5
78.53668	4.2
79.37570	3.4
83.04952	7.7
87.04408	4.3
90.32915	4.5
91.05473	63.1
93.03372	6.0
93.07011	5.1
94.04491	3.9
95.04967	7.1
97.02877	12.2
98.98461	12.1
103.05484	5.3
104.06254	21.0
105.07059	7.9
107.04939	5.8
111.04452	8.9
115.03878	5.5
115.05442	39.1
117.07024	26.6
119.04920	8.7
119.08575	44.7
128.06230	12.9
128.10788	4.8
129.05518	5.1
129.07036	17.4
130.80119	6.0
132.05688	44.1
133.10143	10.6
147.04404	13.1
147.08060	45.7
153.13002	5.8
156.84184	4.9
160.05156	31.7
174.18605	9.2
175.03970	25.1
175.07516	100.0
175.08896	8.5
175.14903	7.9
191.03217	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57476	2.0
52.57740	2.2
54.38183	2.5
55.05493	7.6
56.96531	2.7
67.05472	2.3
69.03401	2.2
69.07075	3.6
72.26796	2.5
81.07020	3.2
83.04954	11.1
83.17255	2.5
83.72089	2.5
91.05428	5.7
93.07006	3.0
97.02869	5.9
97.99128	2.5
98.98411	3.0
101.05990	3.9
105.07008	6.9
111.04411	4.2
114.40296	3.2
115.05445	54.1
117.07007	8.0
119.08573	6.1
123.31818	2.3
129.07028	6.3
129.78508	2.6
132.05693	10.2
139.47104	2.9
139.74335	2.8
143.04916	11.9
144.05708	13.8
145.06512	3.0
147.08012	8.1
154.08258	2.5
160.05186	69.7
166.25623	2.8
170.35587	3.2
175.07521	100.0
175.11160	8.4
175.14828	5.3
184.07559	2.8
186.97896	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	175.0754
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
50.07227	1.9
51.50860	1.8
56.96546	3.9
59.04976	2.1
67.05473	2.8
77.70819	2.1
78.35711	2.2
81.07024	2.2
83.13015	2.1
88.44205	2.1
91.05474	7.4
97.02888	4.1
98.98414	2.7
105.07037	3.8
115.05444	68.8
115.94009	2.1
116.06235	3.7
117.07018	11.7
119.08541	6.2
128.06187	3.6
129.07013	10.7
131.08559	4.4
132.05705	8.7
133.10083	4.2
143.04909	14.4
144.05688	14.1
147.08044	6.4
160.05183	72.6
160.49417	2.7
161.05975	2.8
175.07532	100.0
184.07611	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	175.0754
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
54.02861	1.3
56.96538	2.5
58.44553	1.3
69.03416	2.4
81.65583	1.8
83.04969	3.3
91.05471	3.0
95.04942	2.9
95.48962	1.4
97.02882	2.2
98.98414	1.5
105.07030	3.0
111.04443	2.6
115.05441	54.5
116.06219	2.3
117.07018	9.9
119.08538	5.7
122.55425	1.8
128.06166	2.4
129.06995	4.8
131.04953	1.9
132.05721	9.9
133.10095	2.9
139.03877	1.9
143.04927	11.9
144.05685	11.7
147.08025	4.8
160.05190	71.9
175.07526	100.0
175.10977	2.9
175.14760	1.9
184.07588	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	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
50.56345	2.9
51.33937	3.4
56.96551	8.0
60.05645	31.1
67.05485	8.6
69.03398	4.1
70.06581	100.0
76.14779	4.1
83.04963	14.9
85.02910	4.4
91.05475	22.4
93.03391	5.0
93.07049	29.0
95.04956	33.7
97.02888	6.3
98.98475	6.6
105.07017	13.1
109.06560	4.5
111.04431	8.6
115.03941	3.7
115.05458	9.2
116.06324	3.9
116.07074	19.3
117.06982	8.5
119.08555	24.7
121.99732	3.7
129.06969	25.1
130.09770	8.6
131.08577	6.2
133.10141	11.4
136.33463	3.6
139.03889	3.8
142.07808	11.1
147.08044	11.2
152.87329	4.7
157.10211	5.8
158.09270	6.3
160.05211	6.7
175.07495	25.1
175.11217	23.5
175.13329	5.1
181.58037	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	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
51.79107	1.4
52.58639	1.2
53.77050	1.4
56.72139	1.4
56.96555	2.9
60.05637	40.2
65.52069	1.4
69.03418	2.3
70.06582	100.0
72.08128	3.3
83.04961	3.7
91.05466	3.9
91.71000	2.3
98.98446	3.0
105.07027	20.1
111.04426	2.8
112.08730	2.8
115.05474	4.6
116.07080	27.8
117.37666	1.7
119.04932	7.5
119.08578	14.1
124.86807	1.6
129.07040	3.1
130.09761	10.2
132.05702	1.9
142.07779	14.7
157.10074	19.6
157.11053	1.7
158.09256	7.4
160.05179	4.2
175.07451	9.6
175.11226	26.1
175.19066	1.8
183.57965	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	175.1189
Annotation	Arginine
Peak:m/z	Relative Intensity
50.40351	0.8
51.87244	0.8
58.00900	0.8
60.05639	36.6
60.05943	2.2
68.35988	0.9
70.06580	100.0
71.04971	1.2
71.12218	1.0
72.08141	3.8
73.24934	0.9
76.76170	1.0
90.33881	0.9
112.08715	4.1
116.07079	23.2
130.09767	9.4
158.09212	6.4
175.11890	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	175.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43817	0.7
52.61416	0.6
58.42141	0.7
60.05637	33.9
63.01608	0.6
70.06580	100.0
71.04962	0.8
72.08138	3.6
75.74990	0.8
80.32124	0.8
96.21693	0.7
104.27946	0.9
112.08710	4.0
116.07084	22.7
130.09755	9.4
146.34421	0.8
157.10805	1.1
158.09251	6.0
175.10335	1.4
175.11885	20.3
190.98494	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1189
Annotation	Arginine
Peak:m/z	Relative Intensity
60.05639	36.3
70.06583	100.0
71.04968	2.2
71.29425	0.8
72.08144	3.4
97.07681	1.0
103.51900	0.8
112.08717	2.6
113.07090	1.3
116.07089	24.4
116.57671	0.8
119.27561	0.8
125.58318	0.8
130.09761	11.9
157.10822	1.0
158.09245	6.4
175.11882	22.7
175.13313	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	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05493	5.3
59.24024	4.1
67.05488	11.7
72.30432	4.1
75.59500	3.9
75.73807	4.7
79.05463	16.8
80.56008	4.6
81.07045	36.3
82.05527	4.1
91.05454	26.3
91.25127	4.2
93.07044	30.2
95.08593	22.7
105.07020	20.4
107.08574	10.4
119.08572	17.0
120.36617	4.5
128.10812	5.9
133.10112	29.3
141.65390	4.1
147.11687	10.5
175.14790	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30727	2.0
56.12692	2.6
60.05630	3.4
62.06073	3.0
66.39860	2.4
70.06576	17.0
72.11745	2.5
84.08138	7.1
84.46740	4.0
84.86558	2.9
87.04436	6.0
98.06049	10.4
106.33397	2.9
114.63309	2.8
116.07111	6.2
119.95788	2.7
132.02101	100.0
158.08202	3.5
176.01083	24.8
190.98634	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	176.0706
Annotation	3-Methyl-1H-indole-2-carboxylic acid
Peak:m/z	Relative Intensity
56.96550	1.2
70.06567	1.3
70.44213	0.4
79.04324	0.6
97.05544	0.5
98.97553	0.8
103.05466	3.6
106.92159	0.7
116.05723	0.6
116.98596	0.7
130.06523	100.0
130.17018	0.6
159.96100	0.5
161.01265	0.8
161.05556	1.0
171.09167	4.3
176.06938	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	176.0917
Annotation	Calystegin B2
Peak:m/z	Relative Intensity
55.05499	3.4
55.75985	1.5
56.05019	2.2
58.06575	1.8
60.05636	2.0
61.79520	1.3
68.05013	4.9
69.03407	4.4
70.06583	100.0
71.04991	8.3
71.06902	3.4
71.36580	1.8
72.04468	1.5
72.08147	5.1
81.03387	5.8
84.08152	10.9
86.06053	6.9
87.04458	72.0
88.07611	1.9
90.05548	11.1
94.06558	8.5
95.08566	2.8
98.06048	95.0
99.06444	1.7
112.07594	14.1
112.11234	15.2
113.07127	35.5
114.05493	8.6
115.08690	9.0
116.06245	3.3
116.07086	69.0
130.08632	9.0
130.09636	3.2
130.12286	21.3
134.08080	2.7
140.07062	19.7
142.05029	2.0
145.26917	1.9
158.08115	8.7
159.07579	24.9
176.09149	38.5
176.12778	7.1
191.51984	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	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
78.04682	12.0
89.03903	81.6
91.05476	10.9
95.04940	6.3
103.05443	5.5
106.04161	7.3
108.73279	5.7
113.86735	5.7
114.22954	6.0
117.03368	100.0
121.36435	5.7
134.03630	13.8
135.04408	8.8
145.02824	61.4
149.05952	48.6
152.01549	5.3
158.05986	47.8
172.57010	5.5
177.05396	59.8
186.05492	98.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.93485	4.5
78.04681	7.8
89.03907	80.8
91.94309	5.3
104.62991	5.6
106.04166	7.4
117.03378	89.1
121.06525	7.4
125.57656	6.3
134.03630	17.2
136.06158	9.4
137.72417	7.6
145.02826	62.2
148.03116	5.8
149.05969	35.3
158.06079	30.9
177.05423	43.7
184.19621	5.8
186.05490	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.091
Annotation	5,6,7,8-Tetrahydro-2-naphthoic acid
Peak:m/z	Relative Intensity
55.01868	3.2
55.53417	2.6
57.03435	2.6
67.05488	11.8
71.01338	5.0
74.28415	2.3
75.01344	2.6
79.05069	4.4
79.05485	33.4
81.03403	4.4
81.07050	5.1
83.04943	3.2
89.08810	2.7
91.05470	65.2
93.07030	33.1
95.04952	7.1
103.05476	6.6
105.07032	21.0
107.04954	12.4
107.08620	18.0
109.42279	2.5
111.04471	7.7
115.05446	8.5
116.06239	10.2
117.07005	28.7
119.04904	5.0
119.08566	4.3
121.06532	4.6
121.10148	14.0
129.06975	14.9
131.04932	8.1
131.07565	4.8
131.08562	100.0
133.06485	7.6
135.08058	11.7
135.77786	2.9
138.59460	3.5
149.05965	7.1
149.09621	31.9
159.08051	28.1
177.09085	67.6
177.10561	3.9
191.56248	3.0
196.77040	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	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
52.38298	3.4
55.01849	4.4
65.22337	4.8
67.05486	15.3
79.05503	4.9
79.33169	3.8
81.07041	52.4
83.04964	14.1
91.05481	17.4
93.07027	20.3
95.04954	83.3
95.08601	64.6
105.48791	4.0
107.08589	9.6
109.06488	17.8
117.07027	5.7
117.44186	4.7
119.08572	19.0
121.06485	30.4
131.08560	24.0
133.10143	8.6
133.17732	4.3
135.11717	8.2
149.09598	12.3
149.65898	4.1
153.65158	5.0
159.11700	17.4
177.12738	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.04
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04944	0.5
54.01200	0.4
54.06394	0.4
56.96544	0.5
61.67133	0.5
71.97524	0.4
72.51982	0.4
82.99858	1.5
86.08337	0.5
91.05491	0.6
98.97522	0.6
100.02480	1.6
101.00861	17.8
104.69322	0.5
109.02888	0.7
115.01172	1.0
118.03509	2.3
119.01910	100.0
120.02057	0.9
121.02258	0.7
121.03416	0.5
123.04110	0.7
124.02426	10.7
124.03275	0.7
133.03459	2.2
137.02950	27.8
138.02795	0.9
141.02695	0.7
141.05077	2.4
142.03487	82.0
143.01942	0.9
143.03755	1.7
151.04489	0.7
156.03807	0.7
156.05025	4.2
160.04549	15.7
161.02937	12.7
165.05084	51.4
166.05466	2.6
168.26326	0.6
179.03989	14.0
179.06505	2.8
183.06129	5.7
184.04539	26.8
185.04820	0.8
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
51.34594	0.9
55.01653	1.3
55.01867	15.7
55.83441	1.2
56.96553	6.7
57.03416	1.7
65.03929	3.0
73.23806	1.1
79.05478	1.7
86.55192	1.2
91.05473	48.7
91.06046	2.8
92.35334	1.2
92.47303	1.2
93.07047	1.3
103.05452	3.9
105.07029	14.7
109.02894	1.9
111.87027	1.3
115.05510	2.2
118.04153	4.0
119.04097	2.9
119.04939	52.5
119.05788	3.1
123.04419	2.7
133.06477	19.4
136.05196	3.4
146.03593	7.5
147.04399	100.0
151.07533	1.4
157.80045	1.4
161.05975	24.9
179.03519	1.4
179.06998	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	179.0702
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
53.03943	4.9
55.01856	32.0
56.96563	49.8
57.03414	15.0
59.82407	3.7
65.03929	9.1
67.05495	6.0
69.03426	8.9
71.04980	9.1
73.02885	4.8
79.05492	12.5
81.03412	16.8
81.07046	15.9
85.02895	9.8
86.03679	6.7
87.04439	4.7
89.06003	6.5
91.05479	100.0
91.71049	5.2
93.07047	7.3
95.04958	13.3
96.58025	4.5
97.96773	10.6
97.99193	6.3
98.97582	11.1
99.04446	6.2
105.07024	38.3
107.04959	8.1
109.02872	8.7
109.06467	5.3
110.97531	5.1
115.05484	5.8
116.98615	5.7
117.07037	8.7
118.04205	9.1
119.04932	96.2
119.08582	13.9
122.05149	5.2
123.04382	6.4
125.01511	4.6
131.04994	7.3
133.06485	30.8
133.07339	5.4
133.10100	8.2
137.05983	17.3
138.99420	5.4
139.01833	9.2
140.00168	10.9
146.99644	4.9
147.04413	98.0
151.03935	7.1
151.07533	11.5
152.00256	5.1
161.05956	49.5
161.09662	7.1
161.13330	6.8
169.47034	4.4
179.03395	11.0
179.04761	4.6
179.07007	64.0
179.08342	6.8
179.10582	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	179.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.9
55.01856	32.0
56.96563	49.8
57.03414	15.0
59.82407	3.7
65.03929	9.1
67.05495	6.0
69.03426	8.9
71.04980	9.1
73.02885	4.8
79.05492	12.5
81.03412	16.8
81.07046	15.9
85.02895	9.8
86.03679	6.7
87.04439	4.7
89.06003	6.5
91.05479	100.0
91.71049	5.2
93.07047	7.3
95.04958	13.3
96.58025	4.5
97.96773	10.6
97.99193	6.3
98.97582	11.1
99.04446	6.2
105.07024	38.3
107.04959	8.1
109.02872	8.7
109.06467	5.3
110.97531	5.1
115.05484	5.8
116.98615	5.7
117.07037	8.7
118.04205	9.1
119.04932	96.2
119.08582	13.9
122.05149	5.2
123.04382	6.4
125.01511	4.6
131.04994	7.3
133.06485	30.8
133.07339	5.4
133.10100	8.2
137.05983	17.3
138.99420	5.4
139.01833	9.2
140.00168	10.9
146.99644	4.9
147.04413	98.0
151.03935	7.1
151.07533	11.5
152.00256	5.1
161.05956	49.5
161.09662	7.1
161.13330	6.8
169.47034	4.4
179.03395	11.0
179.04761	4.6
179.07007	64.0
179.08342	6.8
179.10582	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	180.1019
Annotation	(-)-Salsolinol
Peak:m/z	Relative Intensity
60.79467	0.7
66.45582	0.8
69.03412	1.1
71.45840	0.8
83.47424	0.7
85.02877	3.7
91.76521	0.7
97.02869	1.1
103.58707	0.8
112.63435	0.7
117.71156	0.9
127.03907	1.9
137.05949	1.2
146.06003	1.6
151.85507	1.1
164.07045	9.6
164.32018	0.8
165.07838	100.0
171.64330	0.9
180.10178	97.6
185.33267	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1018
Annotation	N-Acetyltyramine
Peak:m/z	Relative Intensity
51.88017	0.4
53.03941	0.6
56.96563	3.5
69.03415	0.5
74.50887	0.4
77.03898	0.6
82.10296	0.5
85.02874	2.8
91.05465	7.3
93.07030	11.7
93.27095	0.5
95.04961	3.7
97.99173	0.9
98.97577	0.7
102.90546	0.5
103.05463	8.4
105.04491	0.9
108.04440	0.6
121.06493	100.0
125.14594	0.6
137.05836	0.5
152.07874	1.1
162.09097	0.6
180.10103	3.6
181.02856	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1018
Annotation	(-)-Salsolinol
Peak:m/z	Relative Intensity
56.98176	0.6
57.03413	1.2
59.89903	0.6
63.67498	0.7
66.67606	0.9
69.03395	2.7
71.31016	0.8
82.88775	0.8
85.02895	9.6
87.02962	0.7
97.02849	2.3
121.06535	1.2
123.04411	1.1
127.03926	4.1
134.09708	0.9
137.05928	5.3
145.04941	1.9
151.07549	5.3
157.04961	0.9
162.09033	1.0
164.07066	6.6
165.07840	78.4
180.10176	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88017	0.4
53.03941	0.6
56.96563	3.5
69.03415	0.5
74.50887	0.4
77.03898	0.6
82.10296	0.5
85.02874	2.8
91.05465	7.3
93.07030	11.7
93.27095	0.5
95.04961	3.7
97.99173	0.9
98.97577	0.7
102.90546	0.5
103.05463	8.4
105.04491	0.9
108.04440	0.6
121.06493	100.0
125.14594	0.6
137.05836	0.5
152.07874	1.1
162.09097	0.6
180.10103	3.6
181.02856	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94990	0.4
56.96555	13.0
58.06601	0.5
60.08153	16.5
63.86672	0.4
70.06569	1.0
79.23515	0.4
83.32388	0.5
85.02889	0.8
91.05456	5.0
91.71578	0.8
93.07033	8.6
95.04968	2.5
97.99155	1.8
98.97578	4.5
102.02194	0.5
103.05453	5.7
105.04489	0.7
107.04955	0.6
111.04407	1.1
116.01249	0.7
116.98611	3.3
118.06502	0.6
121.06493	100.0
123.04037	0.8
134.99689	2.1
137.06007	0.7
138.02676	0.6
139.01767	1.5
139.02863	0.6
140.00166	4.5
141.05005	0.5
158.01219	4.6
164.06990	1.1
165.07835	13.0
175.06325	0.5
176.02338	0.6
180.08620	1.0
180.10185	14.5
180.13808	27.3
181.02838	5.2
199.03987	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	12.8
60.51481	1.3
63.02372	1.3
65.03948	1.4
65.40355	1.1
68.47272	1.2
69.74551	1.1
69.77625	1.1
70.90022	1.1
71.24008	1.3
79.05477	1.4
86.83894	1.2
89.03914	11.3
91.05472	24.9
91.71111	1.9
94.04196	2.6
95.04953	2.1
98.97574	45.8
103.05460	4.3
107.04964	5.5
116.98618	36.5
117.03381	12.1
119.04939	21.9
122.03639	10.6
131.04933	7.3
134.99638	15.1
135.04410	19.2
136.05214	3.3
137.05969	100.0
140.00180	31.7
145.02843	5.8
151.07549	19.5
153.00739	2.0
158.01250	24.9
160.07515	1.4
163.03883	45.4
176.02269	3.3
181.02849	18.8
181.04405	2.0
181.04984	1.6
186.05467	3.3
199.03813	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	181.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	0.6
57.07049	0.5
64.36351	0.4
66.04710	1.7
79.05472	1.5
81.07043	0.6
85.02887	0.6
91.05475	6.5
94.04165	4.9
98.97559	1.9
103.05453	1.8
107.04970	1.3
107.08548	0.6
116.98602	0.6
119.04933	6.3
121.10126	1.9
122.03644	13.2
131.04929	3.0
134.39841	0.6
134.97226	0.5
135.04401	0.8
135.08035	0.7
136.05194	1.3
137.05969	100.0
139.51640	0.5
140.00220	0.5
151.07516	4.5
158.01259	0.8
163.03882	0.8
181.02852	0.8
181.04980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28889	0.6
54.47654	0.6
56.96556	8.6
58.30416	0.6
65.03920	1.1
67.05490	0.8
79.05463	1.3
85.55390	0.7
91.05472	24.8
91.06040	1.4
91.95417	0.8
94.04179	3.3
95.04961	2.8
98.97575	28.9
103.05466	3.5
107.04950	3.0
111.04462	0.9
116.98614	18.1
119.04932	23.4
122.03641	6.8
131.04886	6.8
134.99654	10.8
135.04401	2.9
136.05177	3.7
137.05969	100.0
140.00174	16.7
151.07523	20.2
158.01241	15.1
160.07550	1.8
163.03917	3.4
174.56277	0.8
176.02243	1.2
179.62325	0.8
181.02812	11.1
181.04919	1.3
181.08559	1.1
199.03885	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	182.0813
Annotation	Tyrosine
Peak:m/z	Relative Intensity
55.05528	0.9
56.33083	1.0
77.96713	1.0
81.03415	2.0
83.07394	2.6
84.08151	1.2
91.05475	41.7
93.07045	1.3
95.04970	16.7
96.64073	1.1
108.08142	1.9
118.06564	3.5
119.04939	37.9
119.05759	2.0
121.06556	1.5
122.06084	2.5
123.04427	45.0
123.05296	2.2
126.09154	2.7
127.38860	1.1
136.07576	100.0
137.07925	1.4
140.00180	1.2
147.04402	13.8
150.26363	1.1
154.08635	19.0
164.05740	1.4
164.07120	3.3
165.05461	25.8
182.08134	11.2
182.11739	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	182.1177
Annotation	3,4-Dimethoxyphenethylamine
Peak:m/z	Relative Intensity
55.05486	1.6
56.96563	2.2
57.03425	11.6
57.74571	1.1
67.05486	2.4
67.21236	1.1
70.06573	5.4
79.05469	3.4
80.04996	1.9
81.03420	2.6
81.07041	3.2
82.06554	1.9
83.07341	1.9
86.06084	1.5
91.05476	6.4
93.07031	4.5
94.06544	3.1
95.04936	2.6
95.08575	1.5
96.08096	2.4
97.69506	1.3
108.08118	6.5
109.06483	3.0
116.98593	1.3
119.08588	7.4
119.97941	1.7
120.08131	1.6
121.06479	5.8
122.06033	8.2
126.09140	18.8
134.09610	1.6
136.07559	5.8
136.11195	12.2
137.06033	7.5
137.09589	5.7
138.12791	3.0
140.00194	2.1
147.08035	5.3
150.05490	1.5
154.08615	16.4
164.06927	2.4
164.10693	5.5
165.09100	15.7
167.50195	1.2
182.08305	7.6
182.11760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1539
Annotation	Kinabalurine E
Peak:m/z	Relative Intensity
55.05490	6.3
55.19843	3.7
58.02949	28.0
58.85588	4.6
60.05209	4.0
65.24026	4.2
67.05496	25.7
69.07059	84.0
79.05478	5.4
81.07049	26.2
83.08614	8.9
84.08128	13.1
91.05492	7.2
93.07043	13.7
93.94297	5.2
95.08561	7.0
98.09594	4.8
100.07626	6.7
105.07035	17.3
107.08585	15.1
109.10148	45.8
114.09161	20.7
123.11720	11.7
126.09151	19.3
133.10155	33.2
135.11702	18.1
137.05960	6.6
149.96812	5.7
151.11212	11.4
153.12749	19.0
182.15376	100.0
183.15744	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	184.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83058	1.3
65.13976	1.5
66.39465	1.6
73.84418	1.4
74.60954	1.4
85.22632	1.7
101.00863	17.7
102.00971	2.0
114.02205	1.7
119.01919	100.0
120.02037	7.9
124.02417	14.2
127.58743	1.8
137.02966	23.9
141.05101	1.7
142.03497	84.3
143.03647	14.5
144.44168	1.7
160.04530	17.9
161.02977	7.0
161.04680	2.7
165.05092	54.3
166.05261	13.3
179.04024	7.1
183.06201	5.3
184.04585	10.8
184.06032	2.3
202.05681	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	184.0734
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05036	1.4
58.06583	2.7
58.85419	0.9
60.08160	20.3
62.04619	0.9
63.92309	0.8
70.06576	1.4
71.07362	12.0
84.04420	1.1
86.09699	100.0
98.98461	19.2
102.68843	1.1
104.10721	3.9
120.08080	1.1
124.99998	71.1
128.32016	1.0
136.59898	0.9
138.09181	2.2
166.02657	2.9
184.07333	89.1
184.09850	2.6
197.82060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	2.6
56.05017	1.9
56.24046	0.8
56.96546	1.1
59.70258	0.7
60.27396	0.9
64.61068	0.7
65.85687	0.9
65.92603	0.9
66.46597	0.8
67.05468	1.0
70.05272	0.8
73.06541	5.2
84.08134	38.8
86.09702	0.9
109.40349	0.8
119.01916	2.2
121.97535	1.0
132.67978	0.9
142.03464	1.9
152.07115	1.6
156.13828	100.0
165.05151	1.6
166.04988	1.4
174.81485	0.9
184.07347	1.0
184.09837	1.8
184.13319	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.1696
Annotation	Kinabalurine A
Peak:m/z	Relative Intensity
55.05492	3.5
56.05030	7.4
57.07073	8.9
58.75649	1.1
60.95833	5.5
65.45838	1.3
68.05022	2.8
70.06583	13.6
72.04513	8.7
81.07038	4.0
86.09688	3.9
100.11240	2.7
102.96844	2.1
110.09687	13.4
112.11243	25.1
120.97848	2.3
124.11211	1.5
128.10707	15.2
128.52107	1.2
138.05522	1.2
160.02866	1.7
162.00572	1.7
166.15886	3.4
184.09589	2.1
184.16960	100.0
185.02122	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	185.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23542	65.5
52.95137	70.2
80.28494	72.8
88.82838	68.6
88.89980	100.0
89.58757	67.3
104.61240	80.6
105.75099	83.4
115.14738	81.3
127.56705	85.5
202.52351	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0443
Annotation	3,4-Dihydroxymandelate
Peak:m/z	Relative Intensity
50.39872	0.8
53.00299	2.2
54.01911	0.9
60.95846	1.8
65.03923	1.9
65.18137	0.8
67.05491	1.3
71.60526	1.0
81.07063	1.0
93.07056	1.0
102.96854	1.8
103.85674	0.9
105.24812	0.9
107.04935	2.7
109.52873	1.2
120.97894	1.1
121.02852	2.0
123.16012	1.1
126.09140	2.0
127.60886	1.0
135.04449	1.4
136.65060	1.0
139.03891	100.0
143.03600	1.4
143.99542	2.0
152.07126	1.3
162.00536	1.8
167.07013	2.7
185.01917	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
53.13715	1.5
56.96562	9.5
60.95832	5.8
69.03393	3.2
69.07039	2.4
70.06578	4.2
70.26804	1.7
78.04709	2.9
79.05486	13.4
81.03400	3.9
85.02895	3.1
91.05477	12.5
93.07037	8.0
95.04967	8.6
97.02899	4.3
97.06564	2.4
98.06049	3.3
98.97582	10.2
102.96854	3.4
103.05458	3.3
105.07036	7.2
107.04945	100.0
107.06061	4.2
108.05270	1.9
116.98614	4.9
120.97932	3.9
121.06503	13.3
125.06000	3.3
126.09153	5.7
133.06485	3.1
134.05997	3.5
134.99638	2.2
135.04405	33.3
138.98975	4.2
139.01830	2.7
139.03865	11.5
139.07558	4.1
140.00136	10.2
143.03705	3.3
143.99524	7.3
144.02315	3.6
144.03285	3.5
149.07109	2.6
152.04666	21.5
152.07106	4.3
153.07394	2.9
162.00568	6.1
162.03421	4.3
166.05193	3.8
167.04834	5.7
167.07013	89.7
177.00797	1.9
181.02913	4.8
183.14091	2.1
185.02151	13.6
186.03436	6.1
200.02397	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	185.0597
Annotation	Dibenzo-p-dioxin
Peak:m/z	Relative Intensity
50.12913	1.1
51.22639	1.1
51.45281	1.3
55.05523	1.2
56.96544	2.9
60.95839	10.6
66.79652	1.3
67.05469	1.8
68.70323	1.4
70.06583	1.5
73.57205	1.3
83.63896	1.4
83.79366	1.5
93.75349	1.3
95.04913	1.8
95.06895	1.2
98.06055	3.9
102.96870	7.8
103.05443	2.5
111.07217	1.2
112.07574	1.5
115.05436	2.0
120.02367	2.2
120.97889	8.9
121.00771	1.5
121.07610	2.6
126.09145	5.3
127.05415	8.0
128.06219	7.3
129.07013	7.9
130.69461	1.2
138.98964	8.2
139.01833	3.6
140.06978	3.7
143.03922	1.8
143.04953	1.8
143.99448	11.4
144.02344	6.1
145.06487	5.2
149.07066	3.4
155.04887	8.7
155.06013	2.9
157.06541	1.9
162.00516	14.6
162.03445	7.1
168.08038	1.7
185.02173	21.0
185.05969	100.0
186.06267	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	185.0809
Annotation	UNII-Z02B4Y02FV
Peak:m/z	Relative Intensity
52.70190	1.0
55.05510	1.2
56.79336	1.1
58.31812	1.2
60.95807	1.5
63.57783	1.1
65.03934	1.8
67.05483	4.5
68.99774	1.9
69.03426	1.6
69.07056	3.6
70.06581	1.4
71.04971	4.3
71.65363	1.2
79.01846	1.8
79.05488	3.0
81.07052	4.0
82.04189	1.9
83.04939	1.6
83.83475	1.5
93.07041	5.5
95.01323	11.4
95.04951	3.3
95.08611	1.9
97.06525	1.9
98.06056	2.6
99.04417	1.8
99.20065	1.4
102.96874	3.8
103.11851	1.5
105.42349	1.2
109.02866	1.3
109.06435	2.3
110.03657	30.0
111.04464	8.4
111.08089	2.6
120.97919	2.6
121.10124	8.1
121.66084	1.5
123.04389	2.2
123.11710	1.8
124.05260	1.7
125.05986	85.2
126.09155	2.7
127.03904	6.1
138.98958	2.0
139.01712	1.6
139.03908	21.4
139.11221	2.1
143.99471	3.2
144.02374	3.6
150.02458	1.3
153.05464	100.0
154.06247	40.2
155.03378	3.0
156.08740	1.5
162.00575	3.6
162.03423	4.2
167.04884	1.9
167.07007	3.3
167.10674	2.5
170.05727	9.2
185.02188	5.4
185.08078	30.5
185.09561	2.2
185.11775	2.8
186.03465	6.1
196.66411	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	185.1173
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
51.01255	1.6
53.00293	3.2
57.07055	2.5
59.04984	6.7
60.95852	2.6
67.05494	4.6
69.07057	5.3
71.04980	34.5
74.38152	1.8
77.36239	2.2
79.05490	18.6
79.56469	2.0
81.07049	44.7
85.02840	2.7
91.05465	8.0
93.07032	17.7
95.08595	14.2
97.06512	10.6
105.07032	10.4
107.08586	62.2
109.06528	4.4
119.04906	2.3
119.06091	2.1
120.97890	2.1
121.10138	100.0
123.11707	21.2
125.05975	16.9
125.09641	8.0
126.09171	3.5
127.31728	2.1
139.01886	3.3
139.11168	34.3
145.13525	2.4
145.21449	2.4
149.09616	7.9
162.00520	3.0
162.84982	3.0
167.10637	17.9
185.02415	2.2
185.11728	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	185.1173
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.00309	5.7
55.05497	6.2
56.96575	17.4
59.04998	9.9
60.95851	5.9
61.46755	3.2
67.05506	7.2
69.03419	3.6
69.07079	11.7
71.04984	40.4
77.19469	3.3
79.05507	13.4
81.07052	49.6
85.06526	8.6
91.05496	16.8
93.07026	31.6
95.08631	12.3
97.06557	15.4
98.06057	4.4
102.17545	3.5
102.96899	6.9
102.97568	3.8
105.07021	7.6
107.04980	6.1
107.08598	31.4
109.06549	4.3
111.04473	4.2
111.08109	5.3
120.02225	3.6
120.97917	4.8
121.10135	100.0
123.08057	5.7
123.11692	22.0
125.06001	24.3
125.09621	8.2
126.09206	10.8
135.04489	5.4
138.98851	5.0
139.01801	7.4
139.11165	41.7
143.03777	4.1
143.48790	4.4
143.99567	11.6
144.02324	8.8
149.06110	7.5
149.09712	11.1
162.00600	10.2
162.03448	8.5
167.04892	4.8
167.10646	19.2
185.02173	12.2
185.04785	6.2
185.11823	10.5
186.03465	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1173
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
51.47456	14.3
56.96548	73.7
57.03432	13.8
57.07059	16.3
59.33637	13.6
60.95828	31.9
62.88108	13.6
64.64281	15.4
67.05496	34.4
69.03411	26.1
69.07032	18.3
71.04972	33.6
79.05502	26.9
81.03397	16.1
81.07055	41.8
85.06509	85.9
91.05453	59.3
93.07027	77.0
95.08600	26.4
97.02884	100.0
97.06521	65.9
98.06011	24.4
102.96840	49.5
105.07008	25.3
107.08648	17.3
111.04441	19.8
120.97901	34.0
121.00815	26.4
121.06440	25.6
121.10108	52.4
123.08101	20.6
125.05990	41.8
126.09168	50.9
139.01793	61.9
140.07040	30.5
143.99487	39.8
144.02348	74.0
149.07138	31.3
149.09590	31.1
153.07393	22.9
162.00519	50.5
162.03362	39.9
167.07047	27.0
167.10626	62.7
178.27725	18.1
183.07323	17.5
185.02121	53.4
185.04727	29.4
186.03453	40.1
189.68915	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
56.05022	0.7
56.96561	0.7
58.05426	0.4
58.06598	0.7
67.05499	0.5
68.05020	1.4
68.77589	0.4
69.03438	0.6
69.07070	0.5
70.06582	100.0
71.05005	0.6
73.82191	0.3
74.84198	0.4
80.05018	1.3
81.03418	0.4
81.07064	0.5
84.04497	2.5
84.08147	1.5
85.02883	1.0
86.06059	0.5
88.07642	0.5
95.47987	0.4
96.04486	0.6
97.02872	0.4
98.06056	1.4
99.04435	0.7
100.07587	2.2
109.02890	0.4
112.07600	10.5
114.05515	2.8
115.10867	0.4
121.00795	1.0
122.06055	0.7
123.87970	0.4
126.05522	3.4
128.07040	2.4
130.08641	1.8
138.05580	0.7
139.01842	1.2
140.07060	15.6
144.02405	0.8
144.06570	1.4
158.08109	5.1
162.03450	0.8
163.01880	1.6
166.11685	0.5
168.06554	0.8
168.13817	3.3
181.02951	1.8
183.93352	0.4
186.03421	4.6
186.07648	3.3
186.11310	0.7
186.14865	2.0
204.04504	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77409	1.2
55.50234	1.2
56.05029	1.3
57.07071	9.7
58.02554	1.2
71.04957	1.6
71.08618	4.2
72.04508	4.4
74.85571	1.3
81.07038	2.9
84.04491	5.5
85.02894	5.4
98.06040	2.4
99.04436	4.6
100.07584	1.4
102.09178	3.4
102.96793	1.3
104.99290	2.8
112.07632	8.6
113.04775	1.6
114.05511	11.4
116.10708	5.0
126.05515	11.4
127.03934	2.7
128.07074	3.0
140.07050	12.2
143.36894	1.8
144.02269	1.5
144.06520	1.9
145.04955	2.0
158.08099	4.3
163.01842	1.7
168.06451	1.8
186.03400	1.8
186.07574	6.4
186.18520	100.0
207.56747	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	187.0753
Annotation	3,5-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
57.87282	0.5
68.50127	0.6
72.61073	0.5
82.19347	0.7
115.05447	2.0
116.06258	0.8
137.98161	0.7
144.05685	41.5
172.03661	0.8
172.05174	33.3
187.07524	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0753
Annotation	3,5-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
52.47765	1.2
53.31397	1.1
53.45942	1.2
54.35585	1.2
59.81650	1.3
60.52803	1.4
63.04338	1.3
63.47544	1.4
69.03420	2.0
77.52071	1.8
85.75327	1.6
90.88383	1.7
96.18747	1.4
105.25623	1.5
105.64547	1.4
115.05417	3.1
144.05690	42.6
172.05180	47.0
187.07526	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0754
Annotation	3,5-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
50.05909	0.5
56.75340	0.5
66.88272	0.5
81.03400	1.0
81.07049	0.9
115.05454	3.4
116.06203	0.8
121.65354	0.7
123.11694	0.7
128.06262	0.7
139.62880	0.6
144.05698	41.9
159.07974	0.6
164.02917	0.8
172.05180	31.2
179.57167	0.9
187.07530	100.0
188.07944	0.8
192.33406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0753
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
60.35154	0.6
68.64048	0.7
69.00804	0.6
78.79145	0.6
91.05491	1.0
96.04590	0.7
111.44273	0.7
115.05431	3.2
116.06215	0.9
129.07048	0.8
144.05685	41.7
159.08060	1.0
172.05170	34.5
187.07520	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0753
Annotation	3,5-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
66.49535	1.2
68.08733	1.2
69.44878	1.3
71.19552	1.2
85.77557	1.3
97.60687	1.2
115.05415	3.3
144.05695	44.0
172.05168	36.3
187.07529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0753
Annotation	3,5-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
51.60619	1.3
56.78392	1.2
67.05491	2.3
81.07047	4.3
82.41487	1.7
91.03518	1.6
92.52734	1.7
109.10175	4.0
115.05444	2.6
131.08589	2.7
144.05698	42.5
159.08054	2.1
172.05174	30.4
187.07529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95243	0.4
81.07029	0.7
83.18858	0.4
85.99544	0.4
91.05452	0.8
91.97504	0.4
95.08633	0.6
97.03944	0.4
115.05429	2.9
116.06221	1.0
117.07010	0.5
124.83079	0.4
131.08493	0.7
144.05698	45.5
155.04857	0.6
159.08084	0.9
172.05180	32.5
187.07530	100.0
188.07872	0.8
206.98340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1078
Annotation	L-Alanyl-L-proline
Peak:m/z	Relative Intensity
55.01854	3.7
55.05497	14.4
56.05010	4.9
68.05019	3.1
69.03408	8.8
69.99497	2.9
70.06572	17.5
72.08141	9.1
74.02422	20.4
80.05025	4.0
81.03408	7.7
82.06575	93.2
84.04501	14.1
84.08131	5.0
85.02906	5.7
86.06051	13.6
87.04440	6.0
97.02888	4.1
99.04479	4.5
99.09197	23.3
100.07595	9.4
101.02364	6.3
103.47009	3.7
116.07109	14.5
123.04442	11.4
123.09188	22.2
124.07587	15.2
127.03940	5.1
128.07062	58.9
141.07402	7.7
141.10228	100.0
142.08652	15.3
145.09727	6.5
146.08159	4.2
151.03954	8.5
162.68558	4.0
169.04919	7.6
169.09805	4.5
170.08127	36.9
187.10783	65.2
188.09113	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	187.1078
Annotation	L-Alanyl-L-proline
Peak:m/z	Relative Intensity
50.23184	0.8
55.01863	7.8
55.05509	6.9
56.96573	1.1
57.03453	1.6
67.05515	3.9
69.03419	2.0
69.07070	2.2
70.06596	4.0
71.04990	2.5
71.06916	1.0
72.08176	3.8
75.46230	1.0
79.05485	2.6
81.03432	2.9
81.07050	33.8
82.06589	1.1
83.05000	1.5
83.08613	17.1
84.04533	3.6
84.08163	3.3
85.02916	1.8
85.06551	5.5
86.09684	1.2
89.43393	1.1
91.05466	1.1
95.04964	1.3
98.09688	25.2
99.04523	1.4
101.02415	1.8
108.08154	4.7
109.06515	5.5
113.07934	2.8
123.04473	1.4
126.09149	35.4
127.03931	3.4
141.05504	2.3
141.07448	3.9
151.03947	1.3
151.08669	8.3
157.42889	1.1
169.04961	3.2
169.09720	100.0
171.23573	1.0
187.06136	1.5
187.10777	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	187.1328
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
51.17760	3.3
51.33831	2.8
55.01870	4.0
55.05513	11.2
56.80143	3.1
56.96561	9.5
57.03446	3.8
67.05492	69.9
67.05817	5.3
69.03426	6.4
69.07076	11.3
70.06580	3.6
71.04980	74.8
71.05330	5.5
73.59969	3.2
78.95632	3.3
79.05512	11.7
81.03412	7.5
81.07057	52.6
83.04996	4.8
83.08582	3.7
84.04531	11.2
85.02919	4.6
85.06531	100.0
86.06078	3.9
91.05473	36.7
93.07058	18.0
95.04965	6.6
95.08651	8.8
97.06525	5.3
105.07023	38.6
107.08591	32.5
109.06535	6.8
109.10151	50.7
109.10735	4.6
113.06013	4.8
123.11739	4.3
125.09728	4.1
131.08638	6.0
133.10123	76.4
141.07451	6.6
141.39171	3.7
144.05714	5.6
151.11172	39.0
159.08170	6.8
169.05060	5.0
169.12276	16.2
172.05232	4.5
181.75980	4.0
187.07631	14.3
187.11201	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	187.1329
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
55.05500	7.0
55.63741	1.4
56.20742	1.5
56.96553	2.6
57.03423	3.9
57.07061	4.6
58.85191	1.3
59.01184	1.4
59.79599	1.9
59.98584	1.4
60.04505	1.6
60.71874	1.3
67.05496	63.9
69.03427	3.8
69.07069	9.2
71.04983	71.0
78.54325	1.5
79.05485	12.8
81.03412	4.5
81.07053	52.9
83.04966	7.7
83.08647	2.1
84.04504	5.9
84.98692	1.9
85.02869	1.7
85.06536	100.0
91.05476	35.1
93.07060	14.8
95.04977	5.1
95.08609	6.6
97.06515	3.4
99.04443	3.1
105.07028	36.0
107.08597	32.6
109.06516	8.7
109.10154	60.4
113.06011	3.4
113.07959	3.1
114.05593	1.9
120.29320	1.9
123.08094	2.5
123.11716	9.2
128.52538	1.6
131.08626	4.7
133.10132	71.3
133.11127	4.1
139.11166	2.4
141.07434	3.4
144.05638	3.3
145.10176	2.0
151.11171	35.5
154.05414	1.9
159.08470	1.9
159.19974	1.8
167.44434	1.6
169.05023	4.3
169.12193	16.2
187.06104	2.3
187.07664	5.7
187.13269	3.8
187.14836	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	188.0004
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03407	10.7
72.93787	19.1
81.03411	9.9
84.04484	38.6
86.92107	9.7
90.94798	13.7
91.71674	15.4
96.08218	10.9
96.77446	10.1
113.96410	50.3
116.96368	14.8
134.97411	15.3
138.57860	13.6
141.62801	11.3
144.48802	11.4
154.50221	12.0
154.99020	70.0
164.98419	24.7
170.08159	29.6
171.43134	11.5
188.00023	100.0
188.09085	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	188.0005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07737	6.0
56.94301	6.3
61.04960	6.5
67.61392	6.2
70.95858	22.8
72.93788	50.2
76.74783	7.6
84.04486	8.5
90.94814	22.5
111.98498	17.9
113.96384	82.7
116.96342	26.9
120.65974	7.9
129.09093	8.3
131.97423	13.1
134.97433	18.6
154.98972	59.8
157.99049	24.2
162.26331	8.2
164.98486	53.1
170.08138	8.7
188.00020	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
50.01772	1.6
55.38294	1.6
62.39240	1.9
66.39718	1.8
66.45945	2.0
91.05482	6.6
93.56509	2.1
115.05442	11.9
117.05757	2.1
117.07029	3.0
118.06533	79.5
124.82177	2.5
129.62860	2.2
130.08894	2.0
142.06541	7.2
143.07291	11.5
144.08061	24.2
146.05992	100.0
151.48734	2.1
170.06035	8.9
188.07065	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	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
51.09212	1.3
57.76415	1.6
61.39844	1.6
62.99880	1.9
63.87550	1.6
71.06899	2.3
81.03420	1.7
84.04506	7.1
85.02915	2.4
90.67449	1.9
91.05473	7.5
96.08134	2.3
108.06315	1.9
113.21964	2.1
115.05436	5.3
117.07016	4.0
118.06540	71.8
124.07554	3.1
142.06538	4.7
142.08583	2.5
143.07303	14.0
144.08087	27.9
146.06006	100.0
161.78461	2.2
170.06085	7.3
170.08176	4.8
181.59392	1.9
188.07077	26.0
188.08975	2.9
188.78111	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	188.0917
Annotation	N2-Acetyl-L-aminoadipate semialdehyde
Peak:m/z	Relative Intensity
55.05497	2.2
56.05031	2.4
56.96548	1.2
57.03441	1.4
59.04987	1.9
60.04510	2.8
61.02922	5.9
69.03413	2.8
69.07052	1.3
70.02940	1.5
70.06567	1.3
71.04975	2.5
80.04991	1.5
81.03394	1.8
81.07050	1.5
82.06579	2.8
83.04953	4.4
84.04495	100.0
85.02894	19.0
86.06101	1.4
87.04468	5.3
96.08136	2.7
98.06064	1.1
100.07617	2.4
101.14115	0.9
110.06037	3.6
110.10466	1.9
111.04420	1.6
124.07601	3.5
126.05524	3.7
128.07069	6.8
129.05499	1.2
133.10175	1.2
142.08640	3.3
146.08128	1.1
149.56737	1.2
170.08089	6.6
175.26100	1.1
188.09183	16.5
188.10728	2.7
197.33231	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0918
Annotation	N2-Acetyl-L-aminoadipate semialdehyde
Peak:m/z	Relative Intensity
55.05492	2.7
55.07541	1.4
56.05033	13.4
58.06596	2.3
58.64347	1.5
60.04515	11.0
67.05489	2.0
68.05001	6.0
69.03407	5.3
69.07053	2.1
70.06566	6.2
71.04990	2.4
72.08141	3.5
76.82313	1.9
80.05024	1.8
81.03403	3.6
81.07049	3.4
82.02927	1.7
82.06577	12.7
83.01336	2.8
83.04998	1.7
84.04498	100.0
84.08122	9.5
85.02880	2.9
86.09689	1.8
87.04460	18.3
96.04514	1.5
96.07504	2.5
96.08127	49.2
98.06071	2.9
99.04462	4.0
100.04707	1.7
100.07630	5.4
102.05543	12.2
104.05756	1.6
110.02402	11.2
110.06052	10.1
114.05526	8.4
114.09173	2.8
124.07586	35.1
124.11214	12.3
128.07076	45.2
131.15123	2.0
132.35126	1.6
136.62027	1.7
141.10222	1.9
142.05031	9.5
142.08632	32.3
142.12270	14.3
146.08063	9.9
148.59286	1.8
152.07085	4.9
170.04471	2.0
170.08116	84.3
170.11768	4.8
188.09148	32.2
188.12833	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	188.0918
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05498	1.1
56.05030	1.6
56.20844	1.0
56.96589	0.8
57.03422	1.5
59.04992	1.7
60.06086	0.9
61.02917	7.3
64.26695	0.9
64.38076	0.9
69.03434	1.6
70.02944	1.7
71.04983	1.2
81.85616	1.1
82.06566	2.2
83.04979	3.4
84.04496	100.0
85.02898	17.7
87.04465	5.5
90.44396	1.0
91.71611	1.0
94.06544	0.9
96.08160	1.6
98.06027	0.9
98.16671	0.9
100.07647	1.4
100.83782	0.9
110.06049	3.3
111.04471	1.0
117.48345	1.1
124.07605	1.0
126.05517	4.4
128.07088	6.5
129.05507	1.1
129.68845	0.9
129.70163	1.1
146.08070	1.2
146.88640	0.9
170.08134	2.6
188.09209	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0918
Annotation	N2-Acetyl-L-aminoadipate semialdehyde
Peak:m/z	Relative Intensity
55.05490	3.7
56.05021	11.9
57.03408	3.2
58.06589	2.6
60.04497	14.2
68.05008	8.0
69.03412	9.9
70.06571	11.0
71.04977	3.3
72.04519	4.5
72.08132	7.4
76.27705	2.6
77.43279	3.0
79.05492	4.7
80.04983	4.7
81.03405	7.9
82.06562	26.5
83.04967	5.7
83.06924	3.4
84.04494	83.0
84.08112	12.9
85.02883	10.4
86.06065	4.8
87.04456	42.5
91.05422	3.2
95.04993	4.3
96.08116	48.1
98.05998	5.9
100.03966	3.1
100.07600	19.9
101.06038	3.6
102.05520	18.7
110.02413	3.4
110.06030	16.4
111.04501	3.6
114.05506	7.9
117.74804	2.9
124.07579	34.0
124.11219	5.2
128.07069	100.0
128.07971	6.3
135.04355	3.2
141.10272	5.2
142.05000	3.8
142.08627	52.5
142.10561	3.7
142.12276	13.6
146.08125	19.7
152.07103	4.8
153.05428	3.9
164.62987	3.2
170.08130	79.7
170.11775	7.4
171.08463	3.8
188.09161	58.5
188.10835	4.9
188.12820	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	188.0917
Annotation	N2-Acetyl-L-aminoadipate semialdehyde
Peak:m/z	Relative Intensity
50.47119	2.6
55.01852	6.6
55.05506	6.1
56.05015	14.2
56.96548	7.0
57.03419	4.7
60.04507	15.9
61.54644	2.9
68.05009	7.3
69.03406	20.6
69.07047	3.4
70.06575	10.4
71.04985	6.1
72.08150	3.8
74.69487	3.0
76.98859	2.9
79.05489	3.0
79.71166	3.0
80.05006	7.4
81.03412	15.5
82.06558	14.8
83.04967	7.8
84.04008	7.0
84.04491	100.0
85.02881	11.3
86.06042	9.7
86.09711	8.1
87.04465	36.5
87.44535	3.2
95.04971	4.7
96.04432	4.6
96.08117	35.9
98.06043	9.5
98.06657	3.6
98.97587	3.8
99.04473	4.2
100.07615	11.1
101.05988	4.5
102.05537	15.8
103.75640	3.3
110.06042	20.7
111.04459	6.3
112.02190	4.6
114.05520	9.1
124.07578	33.9
124.11218	5.3
127.03919	4.2
128.07066	73.7
142.03233	5.8
142.08614	40.0
142.12271	8.0
146.08098	17.1
152.07050	6.0
159.43147	4.2
160.07564	5.1
160.09627	6.4
170.02725	5.6
170.08124	74.4
170.11676	3.5
172.02989	3.8
188.03757	76.0
188.09175	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	188.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76091	1.2
67.05506	1.8
69.03413	1.9
71.80815	1.3
76.97327	1.4
80.53682	1.5
82.06574	2.0
84.04015	3.3
84.04493	60.6
84.46903	1.5
87.69408	1.6
95.04945	1.7
96.08117	4.4
97.35953	1.6
98.06014	1.9
103.05465	16.8
105.03366	3.4
105.06983	3.2
106.06545	3.4
110.05968	2.0
112.08267	1.7
128.06219	2.2
128.07077	3.5
129.06976	5.5
131.04924	44.2
131.05920	2.8
142.08614	4.5
146.09648	26.0
164.70572	2.1
170.08124	9.4
170.09631	32.3
188.09219	7.5
188.10690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1281
Annotation	8-Amino-7-oxopelargonic acid
Peak:m/z	Relative Intensity
52.68168	5.0
55.01875	6.5
55.05505	40.2
56.05001	8.0
56.55251	5.1
56.96566	7.1
57.07056	14.0
66.02982	5.5
67.05484	20.5
69.03410	14.2
69.07060	12.1
70.06609	6.9
79.05471	11.4
79.16383	6.3
81.07039	16.0
83.04958	9.6
83.08610	55.5
84.04493	57.2
85.02886	12.3
86.06037	14.2
87.04441	5.7
91.05473	14.3
94.96093	5.3
97.10160	57.8
100.11243	7.8
105.06980	8.5
107.08576	52.2
110.06025	6.1
118.06498	15.8
119.93921	6.7
124.11267	30.0
125.09623	56.1
135.08015	34.5
142.12247	30.8
145.05991	10.1
146.06056	13.3
147.08104	9.7
152.10637	7.0
153.09096	22.2
170.08151	18.2
170.11742	100.0
188.07825	17.1
188.09273	17.4
189.09157	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	189.0545
Annotation	1-Hydroxy-2-naphthoate
Peak:m/z	Relative Intensity
52.68952	3.0
53.68670	3.1
55.01849	5.8
55.17623	3.2
59.26559	3.1
59.53886	3.4
67.78357	3.3
79.05481	17.0
81.10548	4.5
91.05492	8.4
95.04959	7.5
103.05480	15.2
105.06391	6.2
105.07033	59.3
115.05461	100.0
115.06270	6.0
119.04914	10.3
131.22319	4.0
132.05722	5.8
133.06497	65.4
143.04922	83.0
157.61108	4.4
161.05963	66.8
171.04399	95.7
189.05441	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	189.0909
Annotation	Bullatenone
Peak:m/z	Relative Intensity
50.82785	9.8
54.31801	9.7
55.05502	28.8
56.96563	100.0
58.86561	10.5
59.44835	9.6
67.05492	20.2
68.83819	10.5
69.03410	16.7
70.06573	19.8
71.31471	13.5
83.04961	19.2
83.50049	12.2
84.04487	17.3
88.10001	11.1
94.18590	11.1
97.99153	20.6
105.07068	21.9
111.04449	39.6
116.07106	19.6
119.08636	11.5
121.97271	14.8
125.96465	21.6
183.04384	16.7
189.01805	13.9
189.09010	62.9
193.00600	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	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03941	7.5
55.01862	9.5
55.05494	14.0
56.96569	58.7
67.05505	12.8
67.57665	6.6
69.03396	7.7
69.07034	6.9
73.79230	6.6
74.23840	8.4
79.05481	33.1
81.03410	100.0
81.07040	16.2
83.04958	23.1
84.04501	23.9
85.04842	18.8
91.05469	33.6
91.71028	7.2
93.03396	9.6
93.07072	10.1
95.04945	19.6
97.02885	8.5
97.99188	11.6
100.07630	24.9
105.07019	38.9
107.04926	17.5
109.02843	9.3
111.04436	11.6
117.07006	18.7
119.08617	26.9
124.18899	7.0
128.06192	30.0
129.07027	28.2
131.04877	12.7
131.08597	10.9
133.06496	11.1
133.10123	15.5
143.08603	41.9
145.06505	10.8
147.08084	21.3
156.09349	13.2
161.09575	44.9
171.08315	13.5
189.09044	69.2
189.16362	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	189.0911
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
52.81236	3.9
55.05488	4.5
56.96548	16.9
67.05461	4.9
70.06578	4.6
74.07157	4.0
83.04961	7.3
93.07026	6.4
98.21059	4.1
105.07019	11.5
107.55556	4.5
115.05423	6.2
117.07030	6.6
119.08571	9.5
128.06242	31.4
129.07001	66.1
131.04967	6.5
133.10091	5.3
143.08551	10.1
145.06450	12.3
146.04893	4.8
152.68939	5.0
153.68034	4.9
155.06192	5.4
157.06494	72.2
158.07294	8.3
161.05975	9.9
161.09576	8.3
171.08118	7.9
174.06775	32.9
176.71901	5.1
189.09119	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.091
Annotation	Bullatenone
Peak:m/z	Relative Intensity
50.91426	2.1
50.92173	2.0
54.90904	2.1
55.05479	2.0
56.96545	6.1
91.05468	4.9
97.51733	2.4
102.99084	2.3
105.07021	4.3
111.04461	2.7
115.05461	3.3
128.06213	15.3
129.06984	42.2
131.04930	8.0
131.08542	8.4
133.06499	2.5
133.10103	2.6
145.06441	4.7
146.07271	4.7
149.02367	3.3
157.06488	13.2
158.07236	8.7
161.09602	6.4
174.06749	53.3
189.09088	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
56.96553	6.3
91.05474	12.8
95.03943	4.1
105.07017	15.0
115.05448	6.6
117.07025	13.7
128.06219	43.1
129.06992	67.9
130.07788	5.3
131.04929	5.8
131.08578	5.7
143.08569	23.1
145.06514	5.0
145.10100	7.7
154.39610	4.2
157.06497	35.6
158.07240	7.3
160.85429	4.5
161.09592	9.1
163.86279	4.1
171.08067	5.2
174.06772	42.2
189.09103	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
56.96553	24.6
67.05491	11.2
67.55697	5.2
69.03382	8.0
69.07053	6.0
79.05471	25.8
81.03407	100.0
81.07045	8.2
83.04970	8.0
91.05473	35.8
93.07050	6.7
95.04961	22.0
100.07606	10.1
105.07024	37.1
107.04948	28.7
109.02861	8.6
115.05434	7.4
117.07026	14.6
118.94501	7.0
119.08599	32.7
121.06470	7.1
128.06250	35.0
129.07034	10.9
131.08575	7.6
133.06485	14.7
133.10162	29.4
136.37582	6.8
143.08528	40.2
145.06477	14.9
146.07269	10.8
147.08054	25.9
161.09621	86.3
171.08131	15.1
173.74545	6.1
189.09065	62.1
189.12643	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	189.0909
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03917	4.6
55.05495	6.3
56.96558	26.2
57.33424	2.1
58.01633	3.5
64.14168	2.4
67.05489	9.5
69.03393	3.6
69.07053	3.8
75.89066	2.7
79.05467	17.5
81.03409	100.0
81.07038	10.0
81.99115	2.8
83.04958	6.5
84.04498	8.3
85.04824	4.2
86.09696	4.7
91.05474	29.7
93.07026	3.4
95.04961	22.3
97.02888	4.0
100.07652	6.5
103.05507	3.4
105.07021	20.6
107.04946	9.1
107.08566	2.9
107.58703	4.2
109.02888	7.3
111.04437	5.7
115.05423	6.8
117.07001	7.6
119.08566	16.3
123.04397	3.3
128.06209	36.1
129.06975	9.0
131.04990	3.6
131.08612	4.1
133.06508	4.2
133.10143	11.1
141.06844	3.0
143.08548	29.4
145.06522	7.2
146.07298	3.9
147.07980	14.7
161.09595	46.1
171.08121	7.3
174.06824	4.2
189.05418	4.3
189.09074	30.6
189.10944	5.1
189.12762	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	11.5
56.96560	40.8
58.40992	7.2
67.05502	7.9
67.41033	5.5
69.03436	8.0
69.07073	8.0
79.05494	13.5
81.07083	7.3
83.04971	13.7
91.05472	17.0
93.07034	9.2
95.04987	14.1
105.04449	6.8
105.07027	40.5
111.04488	21.1
116.38861	7.1
117.06997	9.0
119.08620	34.0
122.37263	6.8
128.06233	9.5
129.07082	12.9
133.06459	8.6
136.37645	7.7
143.08551	9.0
146.07262	7.0
147.08110	24.2
149.02361	10.3
189.01880	9.8
189.09229	13.3
189.12698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1346
Annotation	Targinine
Peak:m/z	Relative Intensity
52.28535	1.0
55.05493	2.5
57.04548	5.2
58.06583	1.7
60.08154	2.4
64.49028	1.1
70.06580	73.6
71.04980	1.9
72.04487	5.5
72.08141	28.6
74.07189	26.4
78.50533	1.3
84.04501	4.4
84.07665	2.2
84.08131	26.7
85.02887	1.3
86.06068	1.3
88.04743	1.1
91.71588	1.3
94.88187	1.1
98.06033	2.4
100.07610	100.0
102.05535	1.1
115.08676	2.6
116.07075	25.0
124.87892	1.2
126.05503	2.9
126.09147	8.3
126.10232	2.0
128.07114	1.4
129.07425	2.2
129.10245	4.7
130.05035	3.7
130.08679	3.4
132.06563	1.8
133.09698	1.6
144.11320	11.0
158.09265	3.9
172.09599	1.4
172.10880	2.9
189.12204	5.4
189.13644	21.3
192.10106	1.2
193.49879	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	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.14161	3.5
54.14406	3.6
55.05493	4.8
56.15635	3.6
56.96552	10.7
57.07048	4.1
61.97760	3.5
65.03909	4.9
67.05497	30.8
69.07065	11.9
76.40604	3.9
79.05492	12.1
81.07053	46.8
83.04990	5.8
83.05563	4.0
83.08599	4.6
91.05475	76.3
93.07045	26.0
95.04957	6.5
95.08595	56.2
105.07021	100.0
107.08599	30.6
109.10130	20.4
111.04386	5.8
119.08564	59.4
121.10154	8.6
123.11758	5.4
128.22455	4.2
129.07005	4.3
131.08571	5.1
133.06532	9.4
133.10124	80.7
147.11664	32.2
149.02328	5.3
160.22734	4.9
161.13231	15.5
166.00304	5.0
189.09074	9.0
189.12782	19.0
189.16359	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0499
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
55.05486	0.5
56.18624	0.5
56.96536	2.9
62.78893	0.6
64.80444	0.6
67.53852	0.6
68.29529	0.6
69.07033	1.3
70.47673	0.5
72.08144	4.1
76.60347	0.7
80.54182	0.7
81.03384	0.6
89.03900	1.6
97.99119	0.7
116.04974	4.0
129.64790	0.6
134.05992	0.7
144.10220	1.1
162.05489	100.0
162.68121	0.7
163.05731	0.7
164.12645	0.7
166.10927	0.7
185.07069	3.8
190.04984	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1261
Annotation	EPTC
Peak:m/z	Relative Intensity
56.96545	3.3
57.06801	1.7
57.07066	28.4
59.99087	4.7
62.00774	1.4
66.87228	1.4
78.00146	40.1
81.03382	1.9
86.09700	9.4
91.05495	1.8
92.01699	2.2
97.99150	1.7
103.10501	1.5
106.06525	2.3
111.04390	2.3
134.06342	48.4
149.02347	9.5
185.53363	1.7
190.08774	3.5
190.12595	100.0
196.07841	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	190.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.6
56.05032	1.9
56.96564	2.5
57.03455	1.0
58.06595	36.4
58.06880	1.9
59.05003	2.5
60.04523	1.5
66.05006	0.8
67.05505	2.6
69.03433	2.6
69.07060	22.2
70.06573	7.8
71.04988	1.3
72.08164	2.7
74.06061	1.1
74.11928	0.9
74.85909	0.9
77.36496	1.0
81.03424	3.3
81.07058	1.1
84.04527	5.0
84.08134	8.7
85.06551	3.6
86.06081	1.4
86.09702	14.6
86.10118	1.2
87.10021	9.7
98.09652	1.5
102.09194	2.3
103.91613	1.0
109.10059	1.0
112.07596	9.8
126.09138	1.6
126.12788	35.1
130.05019	1.9
130.08633	1.5
131.17204	1.0
137.83316	1.2
144.06555	2.0
144.10236	4.3
144.13832	100.0
172.09756	2.3
172.13350	5.0
176.00772	1.1
190.08630	2.7
190.10786	1.4
190.14378	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	190.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	2.1
58.06581	2.9
60.04238	1.0
60.04512	10.5
61.05286	4.2
62.05783	1.2
62.06079	20.4
62.21258	0.9
68.64783	0.8
69.00661	1.1
69.07056	18.7
70.07446	1.0
72.08135	3.3
73.06558	1.0
73.15570	1.0
84.04577	1.1
87.04466	13.1
87.08069	3.9
92.31647	0.9
97.06500	5.2
114.12795	100.0
116.07075	3.8
121.02879	1.0
129.09050	1.5
131.04898	1.9
149.02382	2.6
172.13379	1.4
189.26350	1.2
190.08539	1.8
190.14363	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0916
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
53.03922	2.3
55.01862	5.1
55.05500	3.5
55.93501	1.8
56.96560	11.7
57.03417	4.8
63.60223	2.0
67.05493	6.4
69.03404	3.1
71.01333	2.8
71.04965	5.9
72.93781	14.1
79.05491	10.2
79.17962	1.5
81.03413	5.3
81.07047	70.7
83.04988	10.2
84.02107	3.0
84.04483	3.3
85.02888	8.4
85.06523	6.1
89.03902	1.9
90.94830	6.0
91.05502	11.0
93.07054	10.5
95.01311	5.2
95.04980	4.1
97.02887	4.1
97.99229	1.8
98.13983	2.0
99.04456	6.6
103.05462	2.4
109.02892	3.1
109.06510	86.3
111.04440	29.8
113.96402	12.7
115.05430	2.8
116.29697	2.2
117.07019	2.8
119.04936	5.8
125.02378	4.6
127.07552	22.7
130.18031	1.8
130.85492	1.8
131.04913	4.1
131.97404	3.8
134.06047	2.1
135.04410	2.5
137.05974	100.0
143.03349	3.0
145.06503	8.6
146.06018	4.9
148.07596	2.6
149.06033	2.3
149.96129	3.1
150.96838	3.1
154.99016	7.6
155.03439	2.0
155.07013	22.9
155.97440	2.5
164.78174	2.2
172.02821	5.5
172.97635	11.2
173.08078	32.2
173.98459	2.2
189.24519	2.0
191.03435	4.9
191.08276	11.6
192.06551	2.8
197.00131	5.9
214.00360	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	191.1066
Annotation	Ligustilide
Peak:m/z	Relative Intensity
51.79453	3.9
55.01855	5.5
56.96549	11.3
57.07071	13.4
62.23837	4.6
67.05492	13.6
79.05475	19.4
81.03381	7.4
81.07047	100.0
83.04950	6.3
91.05470	23.7
91.70952	5.6
93.07031	8.9
95.04963	51.0
95.06055	5.5
105.07030	18.1
107.08586	13.0
109.06532	25.5
115.05479	8.3
116.06244	5.8
121.10078	6.2
131.08556	47.0
135.04445	15.0
145.10165	17.6
146.05867	6.1
147.07977	11.2
149.09618	73.9
170.12909	5.9
185.42780	6.4
191.06978	10.3
191.10617	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	191.1066
Annotation	Schiffnerone B
Peak:m/z	Relative Intensity
53.03930	5.2
55.01850	6.1
55.05506	9.4
56.96557	12.0
57.07081	7.8
67.05489	21.8
69.07056	26.2
71.04971	8.7
79.05484	12.8
79.06721	6.2
81.03395	8.9
81.07037	42.6
81.54916	5.5
83.04962	24.7
83.96844	5.4
91.05461	49.6
93.07030	18.2
95.04963	71.8
103.05447	6.9
104.43974	6.0
105.07011	44.2
107.08566	11.3
109.02879	15.4
109.06516	17.4
111.04436	24.3
117.07028	14.7
119.08589	22.3
121.10111	15.0
123.04417	19.1
130.07799	16.5
131.08589	29.5
135.04408	25.8
137.05952	8.9
137.69257	5.9
145.06442	7.5
145.10094	52.8
147.08055	21.2
149.05974	14.6
149.09618	24.3
163.11182	19.5
173.09572	36.2
188.58481	5.7
191.10645	100.0
191.14331	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1067
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
51.33817	6.1
51.96332	6.6
55.01865	11.0
56.96558	11.7
67.05501	53.2
71.04959	12.2
75.55831	7.4
78.08295	6.6
79.05485	30.4
81.03413	8.7
81.07038	21.4
83.05002	15.0
91.05473	48.8
93.07044	34.1
95.04968	36.3
95.08560	10.1
97.06566	7.8
103.05452	10.3
105.07040	36.1
107.04952	31.0
107.08607	23.8
109.06496	17.3
111.04424	8.4
114.05495	8.2
117.07013	40.1
118.06532	8.8
121.06496	12.4
121.10124	15.8
126.28259	8.6
129.07027	18.8
131.08563	39.9
133.10143	14.8
135.08066	8.5
142.34755	7.5
145.06476	18.6
145.10121	74.4
146.06078	9.0
149.09624	14.1
155.08519	86.6
163.07588	30.2
163.11191	21.3
173.05878	13.4
173.09590	95.2
173.48277	8.7
174.33368	8.6
191.08290	10.3
191.08916	9.2
191.10649	100.0
191.14375	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84403	14.8
55.05486	15.5
55.22355	17.2
55.65335	14.2
57.07055	20.2
76.43938	17.5
79.05493	20.2
81.03423	20.5
81.07053	41.7
89.72004	19.7
91.05441	28.0
97.41048	15.9
105.07020	100.0
117.07078	20.5
123.04042	22.0
131.08580	97.4
135.04459	22.0
149.09738	19.3
173.13286	27.3
177.05211	22.6
191.10695	25.4
191.14243	38.7
212.18071	22.1
214.11232	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	191.1431
Annotation	Damascenone
Peak:m/z	Relative Intensity
53.75534	2.9
54.18756	2.9
55.05503	6.4
61.66877	3.4
67.05495	25.5
69.07066	5.1
71.04973	25.6
79.05470	10.4
81.07044	13.3
83.08642	4.0
85.06550	8.4
85.32993	2.8
89.98401	3.1
91.03600	3.2
91.05456	22.5
93.07029	14.8
93.43888	3.2
95.04948	17.8
95.08615	14.4
97.06554	4.5
105.07018	34.3
107.08587	36.7
107.50376	3.6
108.98968	3.6
109.06512	90.4
109.10146	100.0
117.07040	13.4
119.08572	12.4
121.06534	4.3
121.10129	31.3
123.08064	22.3
129.07013	4.7
131.08560	42.5
133.10101	19.0
135.08040	89.1
135.09077	4.7
137.88596	3.8
145.10130	10.3
147.11710	8.5
149.09619	10.0
149.13246	7.1
155.04893	8.8
158.10857	7.7
170.46425	3.9
173.05956	32.8
173.13243	43.0
191.14296	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0768
Annotation	Carbendazim
Peak:m/z	Relative Intensity
55.05503	0.6
56.96538	2.0
61.52779	0.5
61.96045	0.5
62.94499	0.5
65.91365	0.6
67.02474	0.6
68.93200	0.5
69.03406	0.9
92.04961	0.7
95.04963	0.8
95.13821	0.6
95.27296	0.6
98.50643	0.7
98.97509	0.7
105.04539	1.0
107.48490	0.6
120.08089	0.6
132.05566	2.8
146.07048	0.7
156.17020	0.6
160.05046	100.0
170.65941	0.6
192.07710	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	2.1
55.05485	8.5
56.05013	7.3
57.03414	4.5
58.06574	5.9
58.74498	2.1
59.04989	27.3
61.02901	2.6
63.72886	2.3
68.05024	2.4
69.03417	7.3
69.07046	7.3
70.06561	10.1
73.02901	2.7
81.07036	8.4
83.08571	2.4
85.02888	5.9
86.06042	6.8
95.04952	2.3
96.08112	4.0
97.02861	4.5
98.09679	85.4
104.62923	2.5
111.04471	5.4
114.09151	6.4
116.10722	19.3
119.01934	3.5
128.07086	3.1
129.05481	4.0
134.11754	2.8
138.12819	3.3
147.06532	2.8
148.07550	3.3
156.13824	25.6
160.60007	3.2
171.38840	3.5
174.14883	83.1
179.81854	2.6
187.42317	2.5
192.06592	3.9
192.08630	2.5
192.10265	3.6
192.15945	100.0
200.14786	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	193.0859
Annotation	Coumaryl acetate
Peak:m/z	Relative Intensity
50.11900	0.3
51.11597	0.4
52.57623	0.4
62.72351	0.5
65.03903	0.7
66.04702	0.8
69.03397	0.7
69.44849	0.4
70.53314	0.4
79.05467	1.6
83.04972	0.9
88.85527	0.5
89.03912	0.9
90.04688	2.2
91.05464	1.7
95.04943	1.5
103.05452	4.8
104.02554	0.4
105.07011	7.3
110.70761	0.4
111.04433	0.8
115.05441	2.1
118.04150	15.4
129.05499	0.5
131.04883	0.8
132.05704	0.5
133.06479	100.0
134.06818	0.7
139.03876	0.7
149.02324	0.9
161.05962	30.3
162.06783	1.2
165.09102	0.7
178.06139	0.5
179.06970	1.0
193.04900	1.2
193.08589	7.6
193.12244	0.5
197.61406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.23986	1.9
53.53312	2.3
55.01856	4.3
55.05500	4.0
56.96546	8.9
57.07068	32.8
65.03938	4.2
67.05494	3.1
69.03406	8.3
69.07076	3.2
73.82781	2.2
79.05471	13.8
81.07049	3.7
83.04969	11.0
90.04706	2.5
91.05472	12.7
93.07046	7.8
95.04967	23.9
103.05467	19.3
105.07022	100.0
107.04972	2.8
107.08582	4.8
109.06506	5.9
111.04440	14.7
115.05429	22.1
118.04151	13.5
119.08570	9.8
121.06538	6.1
123.04414	4.0
129.05450	6.1
131.04945	4.9
133.06480	95.7
133.10126	5.7
137.05962	4.5
143.04936	2.9
143.06061	7.9
147.04425	5.2
147.08017	4.7
147.11682	5.5
154.25458	3.2
161.05966	83.4
165.12732	2.9
175.11174	5.8
193.03117	5.7
193.04991	17.2
193.08617	11.3
193.12233	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	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03934	1.0
55.01859	2.8
57.07074	7.3
67.01843	3.6
67.05472	1.0
67.59017	1.2
69.03420	1.8
69.21874	1.1
79.05474	9.7
83.04995	1.5
85.02886	2.8
85.97961	1.1
89.03941	1.2
90.04675	2.8
91.05476	4.8
94.21965	1.1
95.04974	6.4
103.05464	15.8
105.07022	100.0
107.04941	2.1
109.06464	2.5
111.04470	2.0
115.05443	22.2
118.04153	13.2
118.22916	1.3
119.04908	1.5
119.08529	1.2
129.05470	1.3
131.04919	2.5
132.05737	1.4
133.06482	87.0
133.10181	1.4
136.14165	1.4
137.05951	1.8
143.06056	6.4
144.98024	1.3
147.04306	1.6
153.01845	1.5
161.05956	90.7
171.00940	1.5
193.04951	71.4
193.08557	10.5
193.12253	1.9
193.53172	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	193.1223
Annotation	11,12,13-Trinor-4-amorphene-3,8-dione
Peak:m/z	Relative Intensity
53.03931	4.0
55.01859	12.2
55.05509	26.1
61.82702	4.3
67.05497	6.7
71.04982	4.8
72.12798	4.0
73.95980	4.1
76.23622	4.1
79.05496	8.2
79.75735	4.5
81.07040	12.7
81.23069	4.5
83.04958	12.4
83.08614	32.4
83.63946	3.8
85.02881	6.9
85.06544	6.8
85.21262	3.8
91.05465	34.4
93.07041	47.6
95.04949	28.4
95.08576	9.3
97.06525	7.1
97.66618	3.9
103.05434	4.5
105.07039	22.9
105.07645	4.4
107.08601	25.1
109.06495	29.2
111.08102	6.1
117.06983	4.6
119.08555	31.6
121.06493	100.0
123.08047	29.7
129.07025	6.1
131.08498	6.3
133.06528	15.2
133.10121	16.9
133.28505	4.7
135.08099	6.7
147.08038	42.8
147.11690	13.0
149.09686	6.2
151.11151	50.7
161.05946	6.8
165.09145	17.2
175.11258	25.0
193.12204	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	11,12,13-Trinor-4-amorphene-3,8-dione
Peak:m/z	Relative Intensity
52.68664	2.6
53.03947	2.9
53.05622	3.3
53.91121	2.5
55.01871	11.9
55.05500	25.1
56.96564	10.3
57.07065	16.6
60.92530	2.8
67.05492	11.5
68.28006	3.4
69.03419	10.6
69.07059	5.9
71.04996	14.3
78.85175	3.3
79.05485	7.4
80.49909	3.1
81.03411	3.2
81.07048	20.3
83.04986	14.9
83.08611	36.5
85.02908	15.2
85.06539	8.9
91.05471	46.3
93.07024	52.1
95.04958	35.9
95.08606	10.1
97.06530	6.8
101.06017	3.1
103.05495	8.7
105.07024	28.1
107.08585	34.0
109.06505	53.3
109.07193	5.0
109.10170	5.0
111.04474	7.0
111.08076	7.0
117.07012	8.6
119.04854	4.2
119.08577	42.4
121.06491	100.0
123.08051	56.8
123.08839	5.0
129.05498	5.8
129.07031	7.1
131.08601	6.1
133.06516	10.3
133.10129	17.5
135.08052	11.2
135.09024	3.8
147.04390	4.8
147.08025	54.2
147.11700	12.2
151.11160	62.1
152.00153	5.0
157.10172	6.3
165.09033	19.7
175.11171	34.3
193.04980	10.6
193.12213	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
50.61158	2.1
53.00303	2.4
55.01858	4.3
55.05510	6.7
56.96552	6.6
57.07072	29.3
63.54696	2.5
65.03926	2.7
67.05491	23.3
69.03417	9.1
69.07069	3.3
71.04972	7.2
75.21365	2.6
79.05475	15.3
79.17152	2.8
81.07050	20.0
83.04974	20.2
91.05463	31.0
93.07035	43.9
95.04957	61.3
95.08601	9.4
105.07018	38.5
107.08591	48.2
109.02908	3.1
109.06509	84.1
111.04468	6.4
115.05469	10.9
117.07016	11.3
118.06586	3.0
119.08598	13.9
121.06497	11.2
121.10142	3.1
123.08075	7.2
123.11683	6.2
124.79144	3.5
129.05457	6.0
129.06982	6.8
131.08563	9.5
133.05605	3.0
133.06497	17.5
133.10098	17.0
135.08047	100.0
139.03961	4.0
142.07771	6.8
147.08046	8.8
147.11658	7.8
151.11124	5.2
151.83414	3.3
157.10136	8.1
158.71613	3.1
161.06023	13.1
165.12762	10.6
175.03935	4.1
175.11171	64.9
179.62283	3.3
193.04947	10.5
193.08452	5.8
193.12213	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	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
55.05488	10.8
57.07044	3.3
65.03939	2.6
66.15971	2.3
67.05489	11.8
69.03415	4.7
69.07061	30.1
71.04647	2.3
71.04976	13.9
79.05490	6.6
80.05021	2.9
81.07044	21.3
83.08585	3.6
83.97121	2.3
85.06534	8.5
86.06040	3.6
91.05465	9.5
93.07033	24.0
95.04959	33.0
95.08595	21.6
97.10180	10.3
99.08078	7.2
105.07018	10.1
107.08587	32.3
108.04482	5.2
109.06511	100.0
109.10133	17.1
109.34514	2.8
111.08076	6.2
111.11677	4.1
119.08569	23.0
121.10130	6.0
123.08075	3.2
123.11686	16.0
123.76102	2.8
125.11627	2.8
133.10117	14.8
133.47766	2.4
135.11668	29.3
137.09645	11.5
147.11668	4.3
148.07596	6.3
149.13277	9.3
165.05383	3.1
169.14581	3.4
169.65494	2.7
175.14824	40.6
188.62077	3.4
193.04916	5.5
193.09827	6.4
193.15871	61.1
214.92000	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	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03931	2.2
54.51740	1.8
55.05512	16.2
56.96539	4.0
57.03421	3.5
57.07057	8.9
57.07298	1.6
59.04984	4.8
61.14227	1.6
61.42690	1.6
61.78036	1.5
64.79718	1.5
65.03914	3.1
67.05168	3.1
67.05495	36.5
69.03424	15.2
69.07054	18.9
71.04976	8.3
74.65054	1.7
79.05489	12.1
80.05003	1.9
81.07043	31.2
82.05946	1.7
83.04963	30.6
83.08596	6.8
85.02890	3.3
85.06530	5.8
86.06050	2.1
91.05473	20.4
92.75555	1.8
93.03422	3.5
93.07028	50.9
95.04956	27.0
95.08594	37.2
97.02868	2.5
97.10135	2.0
99.08085	11.2
105.07027	31.3
107.08587	61.4
109.06495	11.3
109.10152	56.7
109.10868	4.0
111.04436	15.9
111.08073	4.1
117.06986	2.9
119.08569	45.6
119.09369	3.8
119.79454	1.9
120.08096	1.9
121.10135	23.8
123.08055	17.7
123.11694	17.2
129.05446	9.7
131.08551	2.1
133.06505	4.0
133.10112	62.0
135.11684	100.0
137.09612	25.3
138.10358	5.6
139.03886	4.3
145.10101	2.5
147.04398	3.2
147.06496	2.8
147.08038	5.5
147.11714	8.8
148.07558	2.9
149.13261	7.4
151.11148	7.2
151.14818	6.1
165.16385	6.9
165.58720	2.0
175.14809	46.7
175.16322	2.5
184.31920	2.0
193.04926	5.0
193.15857	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.88719	3.6
55.05495	10.2
56.96550	7.6
57.06804	6.1
57.07068	100.0
62.73982	4.1
65.03920	10.7
67.05487	18.9
67.33215	4.4
69.03439	29.5
69.07041	8.1
79.05473	14.8
81.07050	15.1
83.04973	35.4
83.79786	5.1
85.02868	5.8
86.06075	5.8
91.05473	29.7
93.03430	5.9
93.07037	27.1
95.04965	59.0
95.08585	14.8
103.05440	7.3
105.07001	27.9
107.08582	40.0
109.06500	45.8
109.10152	14.9
110.06073	6.3
111.04421	26.7
117.07037	8.1
119.08598	18.1
121.06488	11.6
121.10168	5.8
123.08067	16.0
123.11684	5.2
126.88174	5.4
129.05482	13.2
131.93774	5.1
133.02769	8.7
133.06493	15.1
133.10136	23.1
135.08041	41.3
135.11664	13.2
137.05957	10.5
139.03894	11.2
147.04445	7.9
147.08040	6.2
147.11656	13.0
151.11192	8.1
156.74588	5.6
161.05940	6.1
165.12808	11.8
167.43384	6.0
175.11180	27.9
175.14813	8.4
193.04973	17.1
193.06766	4.9
193.08527	12.6
193.12250	19.6
193.15930	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.04307	2.7
52.00373	2.7
55.05497	17.2
56.96537	3.7
57.03421	3.4
58.61098	3.1
59.04994	4.7
63.13202	2.9
65.03931	5.1
67.05491	40.3
69.03419	15.1
69.07055	17.3
71.04988	8.4
79.05478	16.0
81.07054	30.8
83.04960	23.3
83.08602	5.9
85.02883	3.6
85.06514	5.2
91.05464	22.0
93.07043	54.3
95.04968	26.2
95.08598	32.5
97.10149	4.0
99.08074	6.2
105.07024	27.2
106.45414	3.8
107.04865	3.5
107.08590	64.5
109.06529	9.3
109.10155	54.8
111.04435	15.2
111.08086	4.5
119.08585	39.4
121.10124	18.2
123.08022	8.9
123.11710	13.1
129.05453	6.6
133.10127	54.4
135.11688	100.0
137.09555	18.3
138.10385	4.8
139.03969	5.1
147.11639	7.4
149.13290	5.9
151.11195	5.1
161.05409	4.0
165.16434	3.9
175.14813	37.0
178.15295	3.5
193.04942	4.7
193.08395	5.4
193.15857	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65393	2.0
53.03931	3.0
55.01878	3.0
55.05508	37.6
56.96558	10.8
57.07056	4.7
58.47687	1.9
61.71462	2.6
65.03944	2.3
67.05502	42.2
69.03424	12.7
69.07057	18.9
71.04967	4.1
79.05490	13.0
81.07050	60.4
83.04974	100.0
83.08632	5.5
85.02893	4.9
85.06534	6.9
91.05469	21.8
91.71115	2.9
93.03415	3.8
93.07043	25.5
95.04956	26.7
95.08598	33.1
97.02884	2.6
99.08102	7.4
103.91807	2.7
105.07040	19.9
106.34058	2.7
107.08595	29.7
109.06496	14.6
109.10153	43.1
111.04435	16.0
111.08079	7.7
117.07041	3.2
119.08572	37.0
121.10150	11.6
123.08065	12.4
123.11713	9.7
129.05472	16.1
133.06541	3.9
133.10138	35.3
135.11699	32.7
137.09605	23.0
139.03915	3.6
147.06528	3.0
147.08080	7.0
147.11665	5.9
147.37224	2.7
148.07613	3.2
151.11101	4.2
165.05502	4.1
175.07521	5.7
175.11179	4.2
175.14822	25.3
191.17775	3.0
193.04927	6.1
193.06944	3.4
193.08601	10.8
193.15848	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
55.05494	6.4
55.05747	1.3
56.96565	2.2
57.07047	2.7
57.57840	1.1
59.04981	3.4
64.21805	1.6
67.05486	16.9
69.03400	4.5
69.07050	4.0
69.23916	1.4
70.22720	1.2
71.04980	1.7
79.05476	4.8
81.07046	11.9
82.73517	1.7
83.04975	5.7
83.08628	1.6
83.39819	1.4
85.06535	14.6
91.05471	5.4
93.07042	13.9
95.01293	2.4
95.04958	7.5
95.08591	9.8
96.42308	1.3
99.08084	100.0
100.67383	1.5
105.07034	6.6
107.08580	14.2
109.06479	3.7
109.10148	38.3
111.04419	4.3
119.08591	7.1
121.10145	5.0
123.08044	3.5
123.11716	3.6
129.05493	2.0
131.15189	1.5
133.10115	15.4
135.11713	15.3
137.09592	11.5
151.11206	4.4
175.14856	5.2
179.08618	1.5
193.12178	2.0
193.15869	35.9
193.17592	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
51.91100	2.1
52.96967	2.1
53.00289	2.2
55.05508	14.2
56.96554	2.7
57.07064	5.2
58.57201	1.7
59.04984	3.4
60.34162	1.8
65.03925	5.2
67.05501	31.2
69.03419	14.5
69.07063	17.4
71.04984	6.0
79.05480	15.1
81.07049	35.1
83.04970	25.8
83.08617	6.8
85.02882	2.4
85.06536	6.4
86.06068	2.4
91.05463	21.8
93.03393	3.7
93.07037	44.7
95.04961	24.2
95.08600	34.4
99.08087	5.4
105.07027	23.2
107.08591	53.4
107.09268	4.0
109.06505	11.6
109.10152	49.7
109.10872	4.2
111.04432	16.0
111.08087	4.9
111.71674	2.2
119.07781	4.5
119.08564	39.2
121.06422	2.6
121.10152	20.5
123.08044	16.0
123.11666	13.3
129.05469	11.3
133.10127	55.3
135.11690	100.0
137.09616	18.3
138.10400	3.9
139.03906	4.5
147.06512	3.4
147.08075	4.0
147.11650	6.0
148.07536	2.8
149.13219	3.7
151.11215	6.5
151.14783	4.2
165.16409	2.6
175.11104	2.3
175.14806	46.1
193.05083	3.0
193.06947	3.9
193.15855	49.7
199.66098	2.7
208.44946	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
55.01887	2.5
55.05505	20.4
56.96553	4.6
57.03413	3.4
57.07058	5.3
58.82335	1.9
59.04987	6.5
65.03915	3.3
66.83198	2.0
67.05494	33.2
69.03423	12.8
69.07050	18.5
70.76109	1.8
70.81857	2.1
71.04974	6.1
79.05479	14.1
81.07040	33.0
83.04964	26.7
83.08581	5.5
85.02976	2.4
85.06527	6.8
91.05465	25.7
93.03367	2.9
93.07035	60.6
95.04965	21.7
95.08598	33.7
99.08069	5.7
104.32415	2.0
105.07020	29.2
107.08587	59.8
107.09270	4.4
109.06512	9.7
109.10149	60.0
111.04437	15.2
111.08078	7.0
117.07001	4.2
118.06574	2.3
119.08562	48.3
121.10131	21.9
123.08058	13.9
123.11711	7.3
129.05513	9.8
131.08517	5.5
133.06482	11.3
133.10110	47.2
135.10635	4.9
135.11681	100.0
137.09633	16.5
139.03905	4.0
139.35878	2.3
147.08066	4.2
147.11642	4.0
148.07571	3.2
149.13263	5.2
151.11208	3.1
152.00156	3.1
161.06026	6.2
165.09064	3.0
165.16379	3.9
175.14815	36.8
193.04933	2.9
193.08473	3.8
193.15851	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
55.05490	9.6
56.47992	2.0
56.96548	3.8
57.07068	33.1
59.04967	2.7
65.40411	1.7
67.05495	28.3
69.03422	10.8
69.07049	8.8
71.04988	4.1
72.19689	2.0
79.05461	8.7
79.64391	2.1
81.03419	2.5
81.07053	20.3
83.04971	14.0
85.06538	16.7
91.05466	23.4
91.12819	2.3
91.71118	2.0
92.05780	2.0
93.03384	2.8
93.07042	25.9
95.04967	20.5
95.05508	3.8
95.08595	25.1
99.08087	100.0
103.05395	2.7
105.07018	24.4
107.08584	26.4
109.06512	8.7
109.10161	35.4
111.04435	10.8
119.08576	35.3
121.10162	10.3
123.04485	2.8
123.08072	6.7
123.11701	5.4
126.96564	2.3
129.05482	8.6
131.08505	2.9
133.06480	4.4
133.10133	35.3
135.11696	26.5
137.05991	5.3
137.09631	10.1
139.03912	2.5
147.08035	13.2
147.11659	13.9
148.07661	2.7
149.13254	3.9
151.11171	8.4
161.06003	3.4
165.05487	4.9
165.09129	2.5
175.07504	5.1
175.11197	8.2
175.14842	16.0
193.04987	9.3
193.08485	3.6
193.09978	3.0
193.12239	10.5
193.15866	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	194.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	100.0
57.07059	31.4
67.35042	10.5
69.03419	22.4
70.94238	24.4
70.95847	13.0
70.98099	22.4
71.57433	10.8
71.95246	11.2
80.05025	14.4
85.06546	25.7
87.04456	48.8
88.95254	10.8
88.99129	12.6
97.99183	41.3
98.06016	13.1
105.07060	19.6
107.08602	69.2
108.04462	26.1
108.41483	10.2
109.72319	10.3
111.96864	47.7
111.98431	20.2
120.08154	12.6
121.06485	15.7
125.09209	10.3
129.97873	24.2
136.07565	31.5
136.86159	9.8
139.01794	24.3
140.18452	11.3
148.07588	18.2
152.99496	71.2
153.01164	22.3
153.97874	12.3
166.08618	31.4
194.08092	46.2
194.11731	16.0
195.00513	34.1
207.17371	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	194.1175
Annotation	Dihydrostrobiline
Peak:m/z	Relative Intensity
52.53358	0.6
53.69162	0.7
77.09310	0.7
79.15220	0.7
85.17610	0.7
90.04781	0.8
92.56326	0.8
93.06995	0.9
112.41412	0.8
121.06488	0.9
136.07579	3.8
142.24265	0.9
146.05969	1.6
151.52448	0.9
159.82623	0.8
163.47508	0.8
164.07053	18.8
178.08653	3.0
179.09406	100.0
194.11752	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	195.065
Annotation	Scytalone
Peak:m/z	Relative Intensity
53.94043	1.2
54.21104	1.2
69.03386	1.9
69.53685	1.4
71.95248	9.1
78.04698	1.5
78.82311	1.6
81.03410	5.8
89.03910	27.3
90.04210	1.3
91.05467	1.9
92.12579	1.4
95.04976	2.0
106.04189	1.6
109.02892	2.6
112.97890	2.4
117.03371	42.6
121.06496	2.1
130.06525	1.9
134.03624	7.5
135.04399	8.1
145.02832	45.5
149.05974	19.9
154.00548	2.4
158.05940	9.1
162.03119	1.8
163.03914	8.9
177.05460	100.0
186.05490	39.7
195.06552	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	195.065
Annotation	Scytalone
Peak:m/z	Relative Intensity
51.09515	2.1
52.78070	1.8
54.39049	1.8
66.54643	2.3
69.03410	3.5
71.95251	29.5
78.04704	2.5
80.05019	3.7
81.03404	22.6
81.07050	2.4
83.66496	2.7
85.02894	2.8
86.06062	2.3
89.03909	31.7
91.71673	2.8
106.04185	2.8
109.02881	6.6
110.39046	2.3
111.04468	2.7
112.97855	3.4
117.03362	28.6
130.98965	3.6
134.03633	5.1
135.04413	4.0
145.02827	33.0
145.88625	2.7
149.05989	19.8
153.05534	3.0
154.00526	5.1
158.06004	14.4
158.77618	2.7
163.03900	9.8
166.08652	2.7
167.09053	2.9
177.05460	100.0
180.78239	2.8
186.05496	39.9
195.03036	3.0
195.06358	4.6
195.11354	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	195.0653
Annotation	ferulic acid
Peak:m/z	Relative Intensity
62.96770	1.3
65.03924	3.1
71.04976	1.8
71.95250	2.9
78.04713	3.2
79.05487	1.7
80.43738	1.4
81.03411	14.5
81.07041	2.4
85.02876	1.6
85.67390	1.6
86.06049	1.5
89.03907	29.6
91.05473	7.7
93.07027	2.5
95.04985	2.5
98.06052	1.4
103.05437	3.0
105.06998	2.6
106.04154	3.5
107.04951	1.6
109.02863	7.1
109.98904	1.8
111.04462	1.9
117.03374	38.0
121.06506	3.7
121.10130	2.1
123.11684	1.7
130.06599	2.0
134.03653	7.9
135.04431	7.7
135.11667	1.8
145.02838	52.4
148.97234	1.9
149.05972	28.3
153.05428	3.1
153.97914	2.4
154.99045	2.2
158.05997	14.0
162.03157	1.7
162.05435	1.6
163.03877	9.5
168.24452	1.6
177.05449	100.0
186.05478	38.1
195.00529	2.9
195.06544	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	195.0652
Annotation	Monoethyl phthalate
Peak:m/z	Relative Intensity
53.00287	0.9
55.01859	2.3
55.05496	2.4
56.96556	1.0
57.07057	1.6
65.03925	4.6
67.05506	1.6
68.99757	1.0
69.03417	1.5
71.04971	1.5
71.95255	2.1
73.02908	15.6
79.05503	1.4
81.03406	6.6
81.07068	1.3
83.01330	1.2
83.04990	2.2
91.05472	3.3
91.71086	1.4
93.07019	2.1
95.04946	1.1
103.05447	1.0
109.02866	4.9
109.99007	0.9
111.08085	2.1
111.78093	0.9
113.96563	0.8
114.05541	3.1
119.04958	2.3
121.02924	1.0
121.10240	0.9
123.04427	2.6
132.06720	0.9
135.04451	1.2
139.03909	2.4
139.07539	3.6
140.93831	1.0
147.04402	2.2
148.97357	1.5
149.02332	100.0
149.03331	4.6
149.05946	5.0
151.01591	1.5
153.97966	1.7
158.01392	1.0
177.05466	25.8
177.16351	1.6
195.00595	3.3
195.06544	8.5
195.08168	1.3
195.13773	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	195.0652
Annotation	ferulic acid
Peak:m/z	Relative Intensity
51.82713	1.8
53.03938	2.7
54.68473	1.9
55.01655	2.4
55.01866	29.3
56.96546	2.6
57.03431	2.1
57.07054	4.2
58.19877	2.1
62.29124	2.0
63.24404	1.9
63.98907	1.8
65.03930	4.0
69.03424	3.4
71.01329	3.8
71.04980	3.6
71.94094	2.3
71.95236	6.0
78.04691	4.9
79.05479	6.2
81.03411	22.2
81.07047	6.1
85.02895	3.8
89.03896	13.3
91.05457	14.8
91.71084	3.2
93.03397	3.5
93.07035	6.5
95.04975	11.7
99.04457	3.7
103.05457	60.9
105.07022	3.0
106.04175	25.6
107.04942	23.5
107.26137	2.2
109.02877	9.4
109.06491	2.6
117.03384	11.7
119.08559	3.1
121.06494	17.2
121.10136	4.0
124.05280	2.3
131.04929	22.6
134.03639	5.3
134.40471	2.7
135.04407	24.7
144.08125	3.6
145.02863	4.8
149.05966	42.3
152.04691	4.1
153.97876	3.5
159.04553	2.7
162.03116	5.8
163.03897	21.1
167.07014	4.8
177.05457	100.0
180.07896	3.0
195.00517	6.4
195.06520	19.0
195.10146	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	195.0864
Annotation	Methyl beta-D-galactoside
Peak:m/z	Relative Intensity
53.03933	3.5
57.03421	2.8
69.03421	9.4
71.04984	10.9
75.04475	1.3
75.74984	0.8
78.13671	0.8
79.21571	0.7
79.52142	0.9
81.03410	100.0
85.02896	9.0
85.10451	0.8
99.04469	4.5
109.02872	49.5
113.06063	0.8
121.49688	0.9
127.03905	5.3
141.05466	1.5
195.02921	1.6
195.11296	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	195.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
57.03422	3.2
65.03931	0.6
66.14332	0.8
69.03426	10.6
71.04982	11.8
73.74323	0.8
75.04474	1.9
81.03410	100.0
84.04501	0.8
84.08137	2.8
85.02893	10.0
87.04475	0.9
95.04967	1.0
99.04462	3.2
102.14425	0.8
109.02872	49.1
127.03892	4.4
133.67418	0.8
141.05511	1.0
153.97878	1.0
195.02943	1.3
195.11215	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	195.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34313	1.7
55.05497	2.9
56.96532	1.9
57.07052	8.4
67.05493	5.2
68.42828	2.0
68.99782	41.2
69.03412	7.7
69.07058	6.7
71.04974	4.8
71.95247	5.1
79.05489	5.7
79.60558	1.9
81.03410	33.7
81.07050	9.6
83.04953	5.6
83.08616	3.1
85.02882	3.9
85.10184	16.9
91.05457	6.3
93.07027	6.5
95.04981	2.8
95.08604	5.0
97.06528	4.8
105.07011	3.3
107.08578	16.9
109.02859	16.6
109.10154	4.4
111.04462	4.7
117.11171	2.1
121.10127	5.1
125.09631	34.8
134.11520	2.2
134.53276	2.5
135.08098	2.4
135.11690	3.6
149.05994	4.1
149.09633	4.9
149.38898	2.2
153.09097	100.0
159.11723	2.5
177.05447	6.3
177.09192	2.7
177.16377	5.9
195.02948	3.3
195.09993	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	195.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17958	2.3
54.37902	2.1
56.37620	2.3
56.96534	3.7
57.03441	2.8
57.07064	6.7
65.03924	2.7
65.90720	2.6
66.40680	2.6
67.05490	9.8
68.99781	34.5
69.03421	6.5
69.07057	7.6
71.04972	8.1
71.94076	3.2
71.95257	9.1
79.05493	7.1
81.03411	38.0
81.07043	15.1
83.04979	7.7
83.08605	6.1
85.02882	3.9
85.10173	15.0
90.37867	2.5
91.05484	5.0
93.07037	11.7
95.04975	6.9
95.08594	10.8
97.06536	4.0
98.45032	2.9
104.44546	2.6
105.07021	3.1
107.04952	4.1
107.08604	22.6
109.02894	18.7
109.10163	3.6
111.04429	6.0
121.10162	8.8
123.08128	3.8
125.09630	31.7
127.03915	3.8
135.08029	5.5
135.11703	5.3
149.09599	5.5
153.09097	100.0
153.99413	3.6
177.05460	7.2
177.16356	7.3
195.10115	24.8
195.13849	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	195.138
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
50.64232	4.8
50.65569	3.9
52.82222	4.1
55.05501	5.8
56.96544	11.5
57.07062	39.0
64.32390	5.3
67.05489	27.6
69.07022	6.4
71.05005	5.7
71.94077	6.9
71.95251	62.8
79.05479	14.0
81.03407	33.3
81.07031	25.1
83.04977	12.6
85.06509	7.0
89.05994	6.7
91.05461	21.2
93.07029	51.4
95.04945	30.7
95.08591	100.0
95.09158	8.3
103.05482	9.3
105.07024	16.7
106.04175	6.5
107.04948	13.9
107.08580	17.7
109.02847	14.6
109.06521	21.4
112.96727	5.3
112.97898	9.2
113.96439	6.2
117.03401	6.2
117.07040	6.5
119.08598	27.7
121.06497	18.5
121.10162	17.8
122.62975	6.6
130.99043	6.0
133.10086	9.1
135.04414	11.0
135.11696	20.8
137.09625	67.1
144.09293	6.5
149.06012	14.0
149.09608	7.0
149.13298	7.9
154.00478	13.5
154.99033	13.5
159.11688	41.0
163.03854	30.2
172.02916	6.8
177.05435	30.6
177.12764	36.3
195.00670	8.4
195.06447	6.4
195.13878	20.8
196.00412	9.0
198.43170	7.2
207.25031	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	195.138
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
50.86498	1.4
53.71103	1.4
55.01854	3.1
55.05484	2.8
56.13453	1.3
57.07056	2.1
65.03920	2.2
65.32410	1.7
67.05493	27.1
69.07039	2.1
71.95245	3.7
75.98363	1.6
77.55556	1.6
79.05476	5.0
81.07043	82.4
82.84797	1.6
83.04956	11.1
85.06503	2.2
91.05451	13.7
91.48097	1.6
93.07030	29.5
95.04957	100.0
95.08595	67.5
97.06517	3.6
103.89419	2.2
105.07040	8.4
107.08604	7.1
109.06506	11.7
117.07050	4.2
119.08559	19.6
119.09339	2.7
121.06493	28.6
131.08568	16.1
133.10115	6.4
135.08058	6.2
135.11681	7.1
149.06087	2.2
149.09621	12.8
156.20499	1.9
159.11674	14.6
163.03841	2.6
177.12733	56.6
190.81303	1.9
195.13783	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	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
51.53744	1.1
53.00314	1.8
53.03926	1.9
54.09339	0.9
55.01858	2.7
55.05505	14.1
57.07062	4.3
57.57010	1.1
58.04149	1.1
62.74841	1.3
63.88668	1.1
65.03928	1.2
67.05502	9.2
69.03409	11.7
69.07058	37.1
71.04991	8.6
71.95257	1.4
74.53296	1.2
75.86823	1.4
77.03937	1.2
79.05479	7.7
81.02947	1.3
81.03417	23.7
81.07047	41.3
81.07537	2.0
83.04984	2.4
83.08609	18.2
85.02910	2.5
85.06532	3.7
91.05474	5.4
91.71703	3.1
93.07034	22.2
95.04975	1.5
95.08598	64.6
97.10164	10.2
99.08083	41.0
105.07024	4.4
107.08590	45.1
109.02874	11.6
109.06570	1.7
109.10149	11.6
111.08078	9.0
111.11703	3.2
113.09634	7.6
117.06977	1.4
121.06597	1.2
121.10137	70.6
123.11729	2.8
125.09628	29.2
127.03925	2.0
131.08597	1.7
135.08061	1.8
135.11690	14.4
137.13245	19.4
139.11195	3.3
148.37173	1.2
149.05940	2.0
149.13272	3.1
157.62660	1.5
177.16370	100.0
195.06493	1.6
195.17416	16.3
203.56705	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	196.0968
Annotation	N-Acetyldopamine
Peak:m/z	Relative Intensity
51.01604	0.7
53.95036	0.7
55.54585	0.7
60.05725	0.7
65.03922	2.7
70.95847	2.0
72.93777	4.3
81.03418	1.1
81.07013	1.6
81.23446	0.7
91.05470	43.1
95.04953	1.1
109.02895	0.9
109.06514	2.3
111.04464	1.3
111.98492	2.4
113.96392	4.3
119.04935	19.1
123.04442	1.9
129.99596	0.9
131.96196	1.1
132.95821	1.7
137.05968	100.0
142.77005	1.1
149.97209	1.0
150.05618	1.0
150.09132	1.4
150.96898	2.5
151.07541	2.1
153.01117	1.6
154.99026	3.3
155.97430	2.5
173.98421	1.1
178.08595	1.0
184.77603	1.1
196.00452	1.6
196.09656	6.6
197.00121	3.6
215.85452	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.1332
Annotation	Magnosprengerine
Peak:m/z	Relative Intensity
51.31909	0.7
58.06593	15.5
65.03934	1.6
68.44432	0.8
75.69540	0.8
77.19661	0.9
80.45816	0.9
91.05470	32.1
95.04974	4.8
97.10493	0.8
119.04934	20.5
136.05200	3.8
151.07530	100.0
160.07552	1.9
179.49130	1.0
196.13309	15.6
216.24707	1.0
218.58731	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93507	4.3
60.99522	1.8
69.32607	1.6
70.95478	3.3
70.95855	51.4
72.93414	3.3
72.93781	45.5
88.96858	7.5
90.94800	8.3
101.51477	2.0
111.98466	66.2
113.96402	27.5
129.99495	11.3
130.64522	2.2
131.97438	7.9
132.95831	65.3
150.96889	62.5
153.01083	32.9
154.99017	13.0
155.97418	93.3
166.47005	2.2
173.98476	62.0
193.67896	2.4
197.00085	100.0
198.00391	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95875	1.8
72.93773	2.0
77.36498	1.3
91.71643	2.1
93.68436	1.2
95.06076	1.7
100.02488	1.5
100.52811	1.2
101.00877	1.7
107.14246	1.2
111.98464	3.7
114.04039	3.0
119.01905	13.4
124.02418	1.9
126.24614	1.4
131.06715	1.4
132.05078	18.9
133.03418	1.4
137.02928	4.7
142.03488	9.8
147.03772	7.0
150.06149	9.2
150.96921	1.8
151.78661	1.6
153.01102	1.7
154.90729	3.6
155.06645	22.8
155.97420	4.2
156.05025	8.7
160.04677	1.7
165.04993	6.8
170.05359	6.0
173.07690	13.6
173.98462	3.2
174.06114	27.9
179.06714	2.7
188.06490	1.5
192.07143	3.8
196.09343	7.5
196.91808	3.4
197.00055	9.0
197.07701	100.0
198.08107	3.4
211.07971	2.0
215.08754	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	197.0808
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
52.70593	0.9
55.01853	2.6
55.93521	2.1
56.96542	1.9
57.03407	1.1
65.03927	3.6
67.05473	4.8
67.39804	1.2
69.03413	1.1
70.95855	22.9
71.04961	1.6
72.93778	18.3
73.02910	18.4
75.83792	1.1
79.05468	2.2
80.04984	2.1
80.11945	1.1
81.03403	2.6
81.07021	3.4
85.02881	2.6
88.96886	4.4
90.94797	2.8
91.05468	4.2
93.07004	1.6
95.04945	3.5
95.08576	3.1
105.07017	4.5
106.06544	2.4
108.02106	1.7
109.02840	1.8
111.04425	2.4
111.98466	27.2
113.96404	9.8
118.06516	1.5
119.04943	3.0
123.04456	1.5
123.08002	2.7
125.05990	15.9
129.99509	5.7
131.97453	2.0
132.95825	21.6
137.05959	2.2
141.05481	5.9
149.05965	2.2
150.96883	29.9
151.03905	100.0
151.05002	7.7
151.07516	4.9
153.01089	25.3
154.99001	5.3
155.03368	1.5
155.97414	40.5
156.97705	1.7
165.10367	1.3
167.41154	1.2
173.00105	2.0
173.98485	29.2
179.07033	23.5
180.06569	2.1
194.24472	1.5
197.00069	79.9
197.07910	6.7
198.00407	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	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
55.01852	2.6
56.96540	0.6
65.03917	2.3
67.05476	2.7
70.95842	2.6
72.93771	2.0
73.02524	1.2
73.02911	17.4
74.57152	0.7
76.08366	0.7
80.05023	0.7
88.96886	0.8
91.05469	3.0
95.04975	2.5
95.08630	0.8
105.07009	0.8
108.02090	2.6
109.02962	0.9
110.03648	2.4
111.04456	2.7
111.98466	5.0
114.05525	2.1
119.04941	1.8
120.35728	0.7
125.05990	16.6
129.99533	1.3
132.95847	4.1
134.05989	1.2
137.05986	1.1
141.05482	4.6
149.05962	2.5
150.96843	3.8
151.03908	100.0
151.04993	7.6
151.07553	3.1
153.01076	2.8
155.97440	7.2
173.98494	4.8
179.07030	18.1
187.46919	0.8
197.00098	9.9
197.08057	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	197.1172
Annotation	Phenol A
Peak:m/z	Relative Intensity
57.07067	64.5
59.08415	6.8
59.97496	5.9
65.40217	6.2
67.05492	11.0
68.69628	6.2
69.03411	16.8
70.95847	27.5
71.04975	7.7
72.93774	24.0
73.59901	6.8
74.93156	11.4
77.26989	6.6
81.03410	11.9
81.07057	12.3
88.96903	9.7
91.05486	13.1
91.71668	16.0
95.04946	30.7
97.02886	67.1
99.04434	21.3
100.60524	7.4
105.03382	48.1
109.10187	11.0
111.98459	43.8
113.96384	15.6
119.04936	16.2
123.04427	30.5
132.95807	22.9
135.92198	7.5
137.09608	13.9
137.48032	7.5
141.05469	87.6
141.09088	9.9
148.39111	7.2
150.96907	32.8
151.11227	26.1
152.47856	7.9
153.01083	33.6
155.97398	51.0
156.06552	11.6
173.98523	43.7
179.10609	57.7
197.00069	100.0
197.09721	12.4
197.11761	42.3
198.18498	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.19347	1.9
54.99240	2.0
55.05497	5.2
59.04993	4.1
65.03912	3.2
67.05489	9.8
69.07050	2.5
70.08288	2.1
70.95840	2.8
72.93770	2.5
79.05477	8.8
81.07044	10.2
91.05471	44.3
93.07036	32.4
95.04952	15.3
98.97588	3.1
105.07021	42.6
107.08583	76.0
109.06551	7.6
109.10126	6.6
111.98499	4.8
113.56731	2.4
117.07001	3.1
119.08569	7.8
121.06533	7.6
123.11787	3.8
125.05968	5.0
131.08577	5.2
132.95801	5.7
133.10124	81.0
135.08055	2.9
135.11685	59.7
135.12657	3.6
143.51366	3.0
148.25708	2.5
150.96887	5.5
151.03917	3.6
151.11180	7.7
155.97462	5.3
161.09564	30.7
179.10661	100.0
197.00078	11.1
197.11687	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
55.01861	4.7
63.29634	2.4
65.03926	4.3
67.05496	4.4
70.95853	12.5
72.93765	10.4
73.02894	5.7
75.72612	2.2
77.03919	2.6
79.05481	27.2
81.07054	5.6
85.89191	2.4
87.04442	6.1
91.05467	69.3
91.29675	2.2
93.07034	100.0
95.04967	18.2
96.65192	2.4
105.03396	12.6
105.04465	2.8
105.07024	16.0
107.08577	25.6
107.31703	2.3
109.06519	7.1
109.10163	6.0
111.98456	16.3
113.96406	4.9
119.04930	6.7
119.08572	70.7
121.06470	3.3
123.04418	19.1
125.05988	5.9
132.95859	9.2
133.10100	7.5
137.05966	49.1
137.09601	13.0
147.08044	34.7
150.96884	15.7
151.03915	18.3
151.07532	34.5
151.11191	3.5
153.01089	11.8
154.99077	3.7
155.97385	17.1
165.09096	80.8
173.98512	16.9
179.06947	3.2
179.10645	19.1
183.10182	4.1
197.00084	37.9
197.11662	38.8
198.18538	3.2
205.57616	2.9
206.11743	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	197.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.0
55.05494	10.1
56.96551	9.0
57.03443	2.5
57.07077	3.1
59.04996	3.8
60.39907	2.5
62.93648	2.6
65.03942	3.0
66.35247	2.7
67.05502	19.3
69.03407	9.1
70.95853	21.3
71.04966	3.9
72.93776	13.8
73.02909	7.8
79.05486	9.8
81.03398	8.8
81.07055	22.7
83.04958	3.6
83.08595	5.2
84.04502	4.8
85.06525	3.6
86.06110	3.6
88.44234	3.4
88.96889	4.9
91.05466	29.0
93.07040	30.8
94.06585	4.3
95.04975	23.0
95.08604	12.6
97.76112	3.1
99.04432	6.2
104.06898	3.1
105.07025	46.2
106.06560	11.7
107.08583	58.7
108.08112	3.6
109.06493	13.0
109.10150	9.3
111.08093	3.3
111.42935	3.2
111.98469	35.7
113.05944	3.0
113.96425	12.1
119.04960	5.3
119.08579	16.4
121.06516	6.5
123.04427	7.9
123.11778	4.7
124.04047	4.2
125.05961	17.9
132.95810	17.6
133.06448	4.3
133.10114	57.3
134.06015	6.5
135.11690	42.8
137.05957	20.4
137.09608	5.2
141.05490	4.2
147.04388	9.5
149.29472	3.5
150.96872	29.0
151.03905	46.7
151.05046	4.7
151.07564	15.2
151.08598	4.5
151.11209	7.3
153.01114	34.8
154.99025	7.0
155.06979	4.8
155.97429	43.3
156.06564	6.5
161.09584	26.2
161.13261	8.7
162.05490	4.3
173.00052	5.1
173.98465	25.3
179.06985	12.8
179.10649	64.2
179.14290	7.0
180.06549	8.0
197.00073	100.0
197.07837	4.2
197.09583	5.8
197.11691	51.3
198.18536	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	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
55.01862	5.0
55.05494	10.1
56.96551	9.0
57.03443	2.5
57.07077	3.1
59.04996	3.8
60.39907	2.5
62.93648	2.6
65.03942	3.0
66.35247	2.7
67.05502	19.3
69.03407	9.1
70.95853	21.3
71.04966	3.9
72.93776	13.8
73.02909	7.8
79.05486	9.8
81.03398	8.8
81.07055	22.7
83.04958	3.6
83.08595	5.2
84.04502	4.8
85.06525	3.6
86.06110	3.6
88.44234	3.4
88.96889	4.9
91.05466	29.0
93.07040	30.8
94.06585	4.3
95.04975	23.0
95.08604	12.6
97.76112	3.1
99.04432	6.2
104.06898	3.1
105.07025	46.2
106.06560	11.7
107.08583	58.7
108.08112	3.6
109.06493	13.0
109.10150	9.3
111.08093	3.3
111.42935	3.2
111.98469	35.7
113.05944	3.0
113.96425	12.1
119.04960	5.3
119.08579	16.4
121.06516	6.5
123.04427	7.9
123.11778	4.7
124.04047	4.2
125.05961	17.9
132.95810	17.6
133.06448	4.3
133.10114	57.3
134.06015	6.5
135.11690	42.8
137.05957	20.4
137.09608	5.2
141.05490	4.2
147.04388	9.5
149.29472	3.5
150.96872	29.0
151.03905	46.7
151.05046	4.7
151.07564	15.2
151.08598	4.5
151.11209	7.3
153.01114	34.8
154.99025	7.0
155.06979	4.8
155.97429	43.3
156.06564	6.5
161.09584	26.2
161.13261	8.7
162.05490	4.3
173.00052	5.1
173.98465	25.3
179.06985	12.8
179.10649	64.2
179.14290	7.0
180.06549	8.0
197.00073	100.0
197.07837	4.2
197.09583	5.8
197.11691	51.3
198.18536	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	197.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19347	1.9
54.99240	2.0
55.05497	5.2
59.04993	4.1
65.03912	3.2
67.05489	9.8
69.07050	2.5
70.08288	2.1
70.95840	2.8
72.93770	2.5
79.05477	8.8
81.07044	10.2
91.05471	44.3
93.07036	32.4
95.04952	15.3
98.97588	3.1
105.07021	42.6
107.08583	76.0
109.06551	7.6
109.10126	6.6
111.98499	4.8
113.56731	2.4
117.07001	3.1
119.08569	7.8
121.06533	7.6
123.11787	3.8
125.05968	5.0
131.08577	5.2
132.95801	5.7
133.10124	81.0
135.08055	2.9
135.11685	59.7
135.12657	3.6
143.51366	3.0
148.25708	2.5
150.96887	5.5
151.03917	3.6
151.11180	7.7
155.97462	5.3
161.09564	30.7
179.10661	100.0
197.00078	11.1
197.11687	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0762
Annotation	D-Dopa
Peak:m/z	Relative Intensity
55.01866	23.7
55.05497	12.8
56.05020	6.5
56.96563	20.7
57.03411	9.1
60.04234	4.8
60.04520	70.3
65.03925	16.4
67.05497	31.3
68.05022	8.6
69.03413	18.3
69.07055	5.9
69.41190	3.2
70.06583	37.9
71.04965	8.9
72.29069	3.1
73.02885	5.4
75.57067	3.1
77.21027	3.6
79.05486	10.4
80.05021	6.7
81.03401	16.9
81.07018	6.4
82.06569	16.3
83.04969	17.5
83.08608	6.5
84.04499	24.0
85.02896	42.1
86.06061	12.4
87.04459	9.6
91.84960	3.6
93.03390	13.2
94.06559	35.1
95.04967	67.3
95.06065	11.9
96.04496	5.0
96.08115	9.8
97.02860	9.7
98.06033	3.9
99.04470	4.3
103.03939	4.3
105.04530	3.8
106.06546	13.4
108.04451	6.9
109.02852	7.4
110.06031	35.9
111.04420	23.4
114.05521	8.1
120.08056	7.1
121.02862	8.5
122.06040	4.8
122.83128	4.1
124.07615	23.9
125.06036	5.3
125.44576	4.0
126.09145	6.7
127.03941	11.6
134.06033	11.9
134.09656	4.9
138.05507	26.3
138.06438	5.6
139.03886	13.8
140.07066	4.6
142.08629	9.5
145.04927	9.3
148.11194	8.1
152.07048	61.8
152.10646	7.7
153.05412	5.3
156.06567	17.2
162.05513	31.9
166.12292	26.9
170.08131	48.5
174.99210	4.7
175.15509	4.5
180.06508	21.6
180.10202	12.9
181.02632	20.8
181.04984	15.4
198.00543	8.8
198.07581	100.0
198.11267	70.7
198.14822	24.5
198.18492	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23602	0.5
60.08157	25.9
68.05022	7.1
70.06588	3.8
80.69450	0.6
81.03415	1.3
85.02899	1.4
91.77449	0.6
95.06084	100.0
111.05585	1.3
122.58850	0.6
136.08731	0.6
139.22464	0.7
145.04979	0.8
154.13391	23.9
163.64241	0.7
177.91393	0.7
180.10222	0.7
198.11041	2.5
198.12688	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	198.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59193	0.2
63.16994	0.2
65.03926	1.7
69.07055	0.2
79.05480	0.2
90.18975	0.2
90.31702	0.2
91.05469	100.0
92.05805	0.5
95.08610	0.2
106.06545	2.2
108.08103	0.4
132.08090	0.7
132.79927	0.3
134.33575	0.2
165.06996	0.3
166.07710	0.5
181.10077	2.5
198.11281	0.2
198.12764	5.1
198.18518	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	199.06
Annotation	3-Methoxy-4-hydroxymandelate
Peak:m/z	Relative Intensity
56.96556	3.6
57.03432	0.8
63.02382	0.7
65.03928	0.6
67.05511	1.2
69.07053	1.1
70.01828	0.6
74.09721	1.3
77.03915	1.1
79.05499	1.0
81.03394	0.9
81.07057	0.9
86.25832	0.7
91.05508	1.9
93.07072	1.1
95.04984	2.4
97.99238	0.8
98.97583	8.8
103.05516	0.7
107.04974	0.9
110.03650	4.7
111.04444	0.8
116.98610	6.8
123.05709	0.9
125.02370	2.3
134.99710	2.9
137.06026	1.0
138.03105	7.3
139.99115	1.0
140.00177	8.7
140.04698	2.2
153.05455	100.0
158.01265	6.8
164.42207	0.8
175.98607	1.0
181.02797	8.3
181.08650	2.3
198.18492	6.6
199.03979	1.1
199.18901	2.1
208.76216	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.06
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
54.64083	1.3
55.01857	2.8
55.05495	2.4
55.64877	1.3
56.96335	1.3
56.96558	13.1
57.07054	1.5
62.50598	1.2
65.03925	6.2
67.05499	3.9
69.07063	2.4
74.09703	2.6
76.55151	1.2
77.03921	1.3
79.05527	1.3
81.03402	1.7
85.02885	1.7
92.02625	1.6
95.04957	34.9
97.02887	5.0
97.99189	1.9
98.97573	28.0
105.04523	1.9
108.34671	1.5
111.04434	2.9
116.97238	3.4
116.98606	23.9
121.02850	2.0
123.04427	13.6
125.02356	11.6
134.99646	14.7
137.05995	1.6
139.01784	1.7
139.98927	3.2
140.00166	28.3
140.04672	100.0
153.05482	5.5
155.07018	16.6
158.01265	24.2
167.03462	1.9
176.02333	3.6
179.92397	1.7
181.02844	30.3
181.04930	4.2
198.18518	14.6
199.00165	4.7
199.04001	3.6
199.18846	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	199.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72750	2.8
53.03939	3.3
55.01857	11.8
56.96560	85.0
57.03426	18.8
57.07053	10.2
61.02911	3.6
62.54264	2.8
69.03411	11.5
69.07047	5.4
70.98116	2.9
71.04978	12.4
71.95277	2.9
73.02910	7.0
74.09705	9.2
74.93140	4.0
79.05485	3.3
81.03403	23.1
83.08614	6.3
85.02914	9.3
86.03698	8.1
87.04453	9.2
89.05997	4.5
91.05435	4.6
93.06991	3.5
93.56325	3.0
95.04970	3.4
96.28239	2.9
97.96795	11.6
97.99187	16.1
98.97574	73.6
99.04450	7.4
100.05229	5.9
100.07631	6.3
102.09157	11.1
104.56002	2.9
109.02862	12.8
110.97550	4.7
111.04458	3.7
115.05447	4.2
115.97839	5.5
116.97266	8.7
116.98608	56.5
116.99385	4.0
118.94453	3.1
121.07607	4.2
128.06218	13.9
128.98625	3.9
129.07027	14.4
131.00177	3.7
134.99646	30.4
137.62845	3.3
138.99432	6.5
139.01770	6.2
139.98820	12.6
140.00204	73.1
140.01270	5.6
141.05414	4.5
141.07008	8.4
142.03387	4.6
142.07764	4.8
143.08574	21.5
149.04097	3.7
152.00124	6.1
153.07036	5.5
156.09378	12.9
157.00525	5.0
157.06494	11.0
157.10144	4.3
158.01256	65.5
158.07286	10.4
158.15366	26.0
163.08708	6.1
165.07005	6.5
166.01726	5.9
166.07797	12.9
167.71510	3.8
169.06517	7.1
169.55498	7.9
170.01337	4.3
170.07356	4.2
171.08031	11.0
171.11699	16.4
172.02802	4.2
175.98521	4.5
176.02255	6.6
180.01996	4.7
181.01360	7.4
181.02850	82.7
181.10124	20.3
182.03177	4.4
183.07976	4.0
184.08839	19.1
193.02821	6.4
198.18520	39.5
199.00166	10.7
199.03906	9.4
199.11148	100.0
199.18922	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	199.1329
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
52.23836	0.8
52.36655	1.0
53.36981	0.8
55.05506	15.0
56.96560	11.0
57.03421	2.2
57.07072	15.2
63.76588	0.9
64.79471	0.8
67.05486	4.9
69.03422	2.3
69.07044	3.7
71.01347	1.2
71.04978	2.2
73.02876	1.1
74.09697	2.5
79.05479	3.2
79.13627	0.9
81.03400	2.1
81.07049	4.8
83.04980	9.3
85.02888	1.3
85.06565	5.4
87.04430	1.0
91.05467	2.9
93.07043	11.0
95.04973	2.7
95.08592	10.2
97.06536	6.9
97.99182	1.9
98.97570	9.7
102.09171	11.7
105.07037	4.0
107.08595	16.7
109.02867	2.2
109.06509	3.3
109.10154	3.0
111.04438	100.0
111.08071	3.6
113.06026	2.2
116.97211	1.4
116.98608	7.8
117.07025	1.8
121.06490	3.8
122.07265	1.4
123.08115	1.1
125.05991	29.4
126.65504	1.0
127.07580	2.4
134.99670	2.9
135.08069	15.7
135.11696	18.5
139.07565	3.5
139.98817	2.4
140.00189	8.2
143.79045	0.9
145.10114	15.6
152.00206	1.5
153.12778	5.2
158.01219	5.4
158.15399	40.4
163.08849	1.0
163.11160	17.4
168.29535	1.1
175.98529	1.2
180.30388	1.1
181.02904	6.5
181.12218	29.6
198.18553	2.8
199.00203	1.7
199.13293	1.1
199.18842	3.0
203.64995	1.0
207.27957	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.148
Annotation	CADALENE
Peak:m/z	Relative Intensity
55.05511	7.4
56.96558	100.0
57.03423	26.6
57.07073	2.4
59.05002	3.9
61.00562	2.3
63.31945	2.6
68.02640	7.1
69.03439	13.7
69.07073	9.3
70.06583	3.9
70.98144	4.4
71.01360	6.1
71.04988	18.0
72.04790	3.3
73.02926	9.2
74.09707	17.5
75.04492	4.8
79.05495	6.3
81.03403	31.1
81.07072	2.8
84.04535	4.1
84.96064	4.5
85.02892	16.0
85.10088	3.3
86.03708	10.0
87.04444	7.2
89.06041	4.0
91.05496	11.2
93.07036	15.4
95.04974	3.0
95.08624	3.4
97.96826	12.1
97.99177	22.7
98.97576	55.5
99.04471	9.5
100.05273	7.3
100.07595	4.1
105.07027	15.4
105.17308	2.9
107.08622	7.7
109.02892	19.8
110.97617	5.3
115.97855	4.6
116.00277	6.1
116.97232	4.1
116.98617	29.0
116.99317	3.2
119.08562	23.2
121.07632	6.4
128.06204	4.7
128.98640	11.7
129.07042	8.9
134.99649	16.9
135.09227	3.5
138.99448	11.2
139.01828	12.7
139.99043	6.8
140.00175	39.1
141.07042	4.1
142.07770	17.5
143.08524	25.9
149.04208	6.4
152.00223	6.9
154.01773	4.2
155.08615	7.3
156.09384	6.0
157.10121	49.5
158.01210	33.2
158.04625	6.1
162.54848	4.2
163.08694	6.5
167.05229	5.5
169.10199	9.9
169.55573	8.6
170.01237	5.1
170.10902	4.6
171.11679	17.0
178.56039	5.5
180.02104	8.0
181.02837	40.5
181.09875	3.5
184.12483	15.2
193.02893	4.9
198.18439	16.3
199.00131	6.8
199.10808	7.3
199.14804	82.2
199.18839	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1804
Annotation	Cycluron
Peak:m/z	Relative Intensity
55.05502	6.0
56.96559	5.6
57.03426	1.4
65.86456	0.6
69.03416	0.9
71.04986	1.1
72.04506	8.6
74.09708	100.0
81.03407	1.9
81.60094	0.6
83.08606	7.6
85.02911	1.3
85.14635	0.8
97.96801	1.1
97.99177	1.6
98.97554	5.1
100.07609	24.5
104.46574	0.7
109.02873	1.2
116.98617	4.0
117.10275	2.5
128.98647	0.9
134.99701	1.4
138.99429	1.1
140.00128	4.5
140.04340	0.8
158.01309	2.9
181.02899	2.6
199.17995	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	200.0918
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
55.01868	6.3
55.05502	4.5
55.82537	2.4
56.05032	7.2
60.08155	2.5
61.12062	2.7
66.66326	2.2
66.76183	2.4
67.05499	7.2
68.05019	4.9
69.03420	6.3
70.06580	32.0
71.04990	7.2
72.08139	13.4
74.02424	3.3
74.06067	2.6
74.66730	2.6
79.05465	4.2
80.04980	4.2
81.03420	3.3
82.06569	6.6
83.04974	5.7
83.07345	12.9
84.04505	35.5
84.08137	10.3
85.02884	5.5
86.06074	3.4
94.06553	6.4
95.04961	7.5
96.71812	3.3
97.06506	5.2
98.06070	5.1
99.04480	3.1
99.06841	5.7
100.07623	8.0
102.05555	3.6
108.08111	3.9
110.06029	6.9
112.07626	20.1
118.06528	5.4
122.06035	8.1
125.06005	4.8
126.05499	4.0
126.09138	30.3
127.03908	7.9
136.07585	18.1
138.09129	4.7
140.06020	2.7
140.07069	8.1
141.05458	7.8
152.07037	4.0
153.05476	19.5
154.08621	100.0
154.09674	5.1
158.08084	15.3
164.07040	6.7
164.08983	6.9
170.08131	20.4
171.06543	10.7
182.08072	22.9
182.11694	27.2
183.11296	13.5
200.09128	51.5
200.11063	5.0
200.12616	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	201.016
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72093	51.1
57.87463	45.5
58.06583	47.9
68.22649	48.0
70.06583	98.3
71.12729	42.5
72.08125	100.0
158.23973	57.6
201.12392	91.5
201.99948	54.7
205.05438	68.3
224.76457	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	201.0546
Annotation	5-Methylangelicin
Peak:m/z	Relative Intensity
55.05474	1.0
56.96547	2.4
57.07065	6.0
58.07368	1.6
63.55270	1.1
67.05479	1.2
76.04709	1.1
79.05455	1.1
81.07030	3.4
91.05460	6.8
93.07013	3.5
95.08604	2.8
102.09181	2.5
103.09489	1.9
105.06992	4.2
107.08573	3.6
115.05446	30.5
117.06273	2.0
117.07016	21.2
119.08547	2.8
130.62958	1.2
131.08562	8.0
141.98271	1.5
143.04907	10.1
145.06483	3.5
145.10149	7.9
158.15378	3.1
159.11681	4.5
159.15724	12.7
160.16013	1.3
173.05963	47.9
173.13263	4.3
176.05978	2.4
199.07599	1.7
201.05449	100.0
201.12675	1.6
201.16359	10.7
202.80087	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	201.1121
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
53.03935	3.4
55.01857	7.0
55.05493	11.4
56.66325	2.6
56.96542	12.6
57.03424	10.2
59.04782	2.2
59.04991	23.2
63.62208	2.6
67.05238	2.7
67.05502	32.7
69.03393	10.5
69.07039	8.8
70.06579	21.1
70.51772	2.5
71.04980	14.2
72.08150	3.6
73.02889	7.6
79.05481	36.0
81.03411	15.6
81.07041	13.4
83.04960	4.5
83.08575	3.8
85.02897	51.8
85.06523	4.8
86.09702	22.3
89.37583	3.7
91.05476	13.2
93.07034	19.7
95.01307	9.3
95.04982	16.4
95.08599	100.0
97.02879	4.4
97.06543	18.3
98.97576	3.2
105.06965	3.3
107.04942	6.8
109.06529	9.2
109.10147	14.7
111.08083	11.8
113.06009	11.8
117.06994	6.3
119.08590	22.6
120.08117	3.6
123.08019	4.6
127.03927	3.8
127.07588	4.6
131.08562	5.0
133.97847	3.5
137.05977	15.0
137.09604	49.9
141.01825	23.7
141.05443	31.0
145.10075	5.0
147.08028	6.5
155.07025	8.9
155.10664	53.9
156.10202	3.9
159.11819	4.0
165.09109	3.5
171.61548	4.4
178.49405	3.4
183.06494	4.9
183.10228	4.3
201.03879	3.5
201.12776	5.2
220.99141	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	201.1122
Annotation	Masutakic acid A
Peak:m/z	Relative Intensity
53.03934	2.8
53.49288	2.4
55.01862	9.2
55.05504	11.2
56.96548	8.7
57.03423	4.9
57.07063	2.9
59.04982	13.9
59.93089	2.9
60.04528	25.5
65.03927	3.0
67.05499	46.8
69.03418	7.6
69.07057	11.6
70.06554	4.6
70.68037	2.5
71.04981	13.2
73.02906	5.4
79.05495	24.1
81.03420	10.6
81.07061	27.5
83.04964	6.0
83.08631	4.6
85.02889	18.4
85.06549	3.2
86.09698	66.9
87.05602	5.9
91.05470	38.5
93.07035	32.2
95.04964	19.1
95.08601	100.0
97.06544	14.1
101.02361	7.5
105.07047	7.6
106.41691	2.6
106.98598	3.2
107.04963	4.7
107.08567	7.3
109.06499	10.2
109.10158	33.8
111.08079	9.6
113.06010	13.8
117.07033	9.5
119.08580	70.8
119.09358	5.4
121.10190	3.6
123.08054	4.9
123.11761	5.4
127.03957	3.2
128.10754	10.2
129.07013	4.9
131.08562	6.3
137.05960	7.3
137.09607	81.3
137.10596	5.3
141.05472	25.4
141.07065	3.2
143.08600	4.0
145.06471	6.2
145.10112	13.3
147.08073	11.9
155.08739	3.5
155.10672	59.4
157.10141	5.6
158.01263	4.5
159.07913	3.5
159.11668	5.4
165.06639	4.6
165.09135	8.3
169.09700	4.5
173.12872	20.5
183.06509	4.4
183.10170	7.1
183.11688	8.7
201.11229	12.5
201.12790	23.1
201.16263	6.0
222.18149	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	201.1121
Annotation	Masutakic acid A
Peak:m/z	Relative Intensity
53.03926	0.9
55.01863	5.9
55.05484	2.5
56.42712	0.7
56.96545	0.9
57.03399	0.8
65.03935	1.3
67.05494	25.2
69.03406	2.0
69.07014	1.6
71.04973	2.4
73.02903	1.5
75.92697	0.8
79.05467	2.9
81.03390	1.2
81.07050	9.4
83.08582	1.4
85.02882	2.2
91.05472	49.6
93.07035	28.1
93.07635	1.4
93.37270	0.8
95.04935	3.2
95.08598	47.5
101.02382	10.5
105.07012	3.1
107.08584	1.4
109.10151	25.6
111.04472	1.2
113.05979	1.2
117.06986	2.9
119.08573	100.0
123.08066	3.1
129.06984	2.8
131.08508	1.8
137.09612	79.2
141.07021	0.9
145.10162	1.6
147.08034	9.0
153.19034	1.0
155.10669	5.0
159.08096	1.1
165.09071	8.1
178.12247	2.6
183.10173	2.2
183.11600	1.7
201.11191	34.6
201.12764	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	201.1273
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
55.01855	13.7
55.05510	3.1
56.96570	2.8
57.07058	3.0
67.05466	3.5
67.07201	2.8
69.03411	4.5
71.11489	2.8
79.05473	3.4
81.07051	6.4
91.05461	9.7
91.71599	3.8
93.07043	5.4
95.05009	4.9
105.07015	9.5
107.08562	3.9
115.05476	5.0
117.07042	4.4
121.06522	8.2
124.90656	4.5
129.07031	8.2
130.07829	5.0
131.08554	27.9
141.07007	11.9
143.08574	14.3
145.06473	64.0
145.10126	20.1
155.08551	8.7
157.10143	8.6
159.08095	23.7
159.11662	10.0
168.09317	14.8
171.11710	3.9
173.09583	4.2
173.13246	27.9
183.11650	24.9
201.12738	100.0
201.16325	4.2
221.09570	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	201.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.0
58.24733	1.5
67.05477	7.7
71.04964	2.1
79.05463	4.4
79.96198	1.6
81.07037	4.2
82.55750	1.8
88.35050	1.9
91.05471	16.8
93.07024	3.7
94.08316	1.8
95.08605	2.0
97.06470	1.8
105.06997	4.9
105.81899	1.7
115.05424	5.9
116.06154	2.1
117.07018	19.4
119.08549	5.0
128.06224	3.2
129.06998	38.8
131.08556	50.0
131.09499	3.5
137.09673	2.7
141.07004	13.5
142.07799	4.3
143.08517	3.4
145.06496	6.4
145.10110	21.1
155.08549	14.2
157.10110	44.6
159.08057	4.4
159.11696	15.4
168.09244	3.7
173.13266	6.6
183.11676	26.3
201.12737	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1274
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
52.89368	1.5
55.01851	2.2
57.03408	2.1
67.05478	6.1
79.05469	5.9
81.07031	5.1
91.05455	13.7
93.07034	4.8
94.10130	1.7
95.04926	2.2
95.08590	4.8
105.07028	5.1
109.19318	1.6
115.05423	4.6
116.70790	1.9
117.07018	20.3
119.08591	5.9
129.07001	31.9
131.08566	44.7
135.08223	1.9
137.49684	1.8
138.50464	1.9
141.06984	19.2
142.07745	3.2
143.08560	4.1
145.06441	7.0
145.10139	19.6
155.08507	12.1
157.10112	37.6
159.08032	5.3
159.11699	11.3
168.09354	3.3
171.11626	3.1
173.13222	8.7
183.11676	22.0
201.12729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1274
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
55.05507	5.9
56.96560	8.7
57.03427	3.2
60.95841	3.7
67.05494	11.3
69.07045	3.2
71.05022	3.2
81.03386	4.4
81.07050	8.6
84.91440	3.3
91.05468	12.6
93.07038	5.7
95.04942	4.7
95.08599	9.6
96.36286	3.3
97.06544	4.6
98.21884	3.3
105.07076	6.3
107.08552	3.3
109.10171	8.0
113.05940	5.2
115.05453	5.6
117.07016	16.2
119.08579	13.0
121.06537	4.5
121.48399	3.3
129.06998	12.9
131.08578	25.9
137.09612	4.9
141.07024	12.8
142.07741	4.0
143.08551	5.1
145.06503	23.5
145.10136	22.4
153.07048	4.0
155.08615	12.1
157.10123	27.0
159.08058	10.5
159.11710	22.5
168.09341	6.3
173.13239	6.5
183.11664	21.6
201.12726	100.0
203.39485	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	201.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65901	2.8
55.05479	6.0
56.96537	3.3
65.13254	3.3
67.05490	14.1
69.03413	14.6
70.35954	3.9
71.04974	4.7
79.05503	7.0
81.07051	9.8
91.05466	21.3
93.07029	13.4
95.04966	9.0
95.08617	12.8
105.07034	16.6
107.08562	8.3
109.10176	6.0
117.07029	19.6
119.08578	46.4
121.06533	5.5
128.06212	4.9
129.07016	14.9
130.07805	5.7
131.08592	34.3
132.85402	3.8
137.09644	7.2
141.05811	4.3
141.06953	7.3
142.07767	4.4
143.08521	8.1
145.06490	9.0
145.10129	38.1
153.06874	4.9
155.08603	12.2
157.10152	15.1
158.10870	5.2
159.08070	17.6
159.11694	21.6
168.09274	6.1
172.08856	11.0
173.09669	8.5
173.13322	13.7
183.11694	20.0
186.10443	7.5
195.93394	4.0
201.05426	5.5
201.11108	4.0
201.12737	100.0
201.16466	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	alpha-Calacorene
Peak:m/z	Relative Intensity
56.96557	19.7
57.07049	13.6
59.93100	14.3
67.05518	15.7
79.05495	13.8
84.04536	13.9
87.04423	12.1
88.61131	11.8
89.31501	12.8
91.05449	37.6
91.71679	46.6
93.07036	15.3
95.08619	17.0
100.16883	13.3
105.07008	29.8
111.02917	13.7
117.07031	33.1
119.08598	42.0
120.32754	13.3
124.41583	15.8
129.00616	14.0
131.08582	40.3
140.57973	18.2
141.98323	32.6
145.10115	100.0
146.01410	13.4
159.11717	59.1
181.02869	19.8
200.99670	28.6
201.12775	32.2
201.16435	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
55.05493	3.7
67.05486	12.0
67.69791	3.0
69.07054	7.6
79.05489	7.8
81.07047	60.2
91.05473	19.4
93.07052	17.8
95.08608	18.5
105.07012	28.1
107.08598	14.4
109.10165	10.0
117.07018	13.9
119.08564	34.1
121.10126	9.3
129.06989	7.0
130.07751	9.6
131.08540	27.2
133.10159	6.1
141.98323	4.2
143.08501	7.6
144.09348	13.8
145.10112	71.2
157.10159	16.5
158.10841	7.1
159.11682	62.9
159.12883	5.5
168.73232	3.3
171.11755	4.1
173.13255	18.4
186.14032	9.0
200.99724	5.3
201.16362	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	3.7
67.05486	12.0
67.69791	3.0
69.07054	7.6
79.05489	7.8
81.07047	60.2
91.05473	19.4
93.07052	17.8
95.08608	18.5
105.07012	28.1
107.08598	14.4
109.10165	10.0
117.07018	13.9
119.08564	34.1
121.10126	9.3
129.06989	7.0
130.07751	9.6
131.08540	27.2
133.10159	6.1
141.98323	4.2
143.08501	7.6
144.09348	13.8
145.10112	71.2
157.10159	16.5
158.10841	7.1
159.11682	62.9
159.12883	5.5
168.73232	3.3
171.11755	4.1
173.13255	18.4
186.14032	9.0
200.99724	5.3
201.16362	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	(1R,2S)-(+)-p-(1,2-Dimethyl-3-methylenecyclopentyl)toluene
Peak:m/z	Relative Intensity
52.90781	4.9
58.53465	5.0
67.05476	18.5
74.86826	7.0
79.05489	11.1
81.07014	13.4
81.90811	5.9
89.82847	5.4
91.05476	25.6
93.07019	30.1
95.04945	10.8
95.08607	15.3
105.07034	28.9
107.08585	22.8
109.10137	11.0
109.58836	6.6
117.07023	11.9
119.08559	22.6
121.10171	12.8
130.07773	9.8
131.08549	100.0
133.10103	6.6
141.98372	6.0
145.10124	54.4
149.10605	6.5
159.11691	31.7
173.13243	79.1
177.98206	8.7
200.99593	7.8
201.16368	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	alpha-Calacorene
Peak:m/z	Relative Intensity
56.96552	0.7
57.07070	4.7
58.90113	0.6
67.05487	1.1
71.08627	5.2
72.70763	0.6
80.65491	0.7
91.05445	3.6
105.07015	9.9
110.20112	0.7
115.05345	0.8
117.07028	5.5
118.96752	0.9
119.08561	2.1
129.07027	1.3
130.07764	5.0
131.08577	10.2
141.98343	0.8
143.08537	1.9
144.09274	1.2
144.84639	0.6
145.10112	100.0
157.10056	1.4
159.11694	13.6
190.93715	0.8
200.99678	0.9
201.16347	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	201.1637
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
55.05490	3.0
56.38907	2.2
56.94593	2.6
56.96877	2.6
57.07078	3.4
67.05492	12.4
67.37457	3.1
69.07054	11.4
74.70576	3.3
79.05494	9.4
81.07044	33.5
91.05470	16.2
91.17057	3.1
93.07050	24.5
95.04973	6.3
95.08607	21.4
105.07022	30.8
107.08588	23.5
109.10165	9.2
117.07020	14.3
119.08587	25.2
119.51889	2.8
121.10170	8.9
129.07024	4.1
130.07784	7.1
131.08565	50.0
131.09497	3.9
133.10149	12.3
133.48676	3.2
141.98340	6.3
143.08562	7.0
144.09354	7.2
145.10120	60.8
157.10143	7.8
159.11697	47.0
171.11650	4.1
173.13213	28.4
186.13924	5.8
191.23853	3.4
201.12906	4.3
201.16351	100.0
218.59068	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	202.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
70.96998	71.1
79.51848	93.4
81.03413	100.0
83.76791	85.3
95.74169	84.0
115.84064	87.7
124.40190	83.9
138.35088	93.3
162.30975	87.7
182.20837	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0862
Annotation	Quinoline-2-methanol acetate
Peak:m/z	Relative Intensity
67.05524	2.1
97.73345	2.2
117.05038	2.4
117.05773	11.5
129.07004	6.5
132.08083	86.4
140.99582	2.4
142.04985	2.6
142.06548	2.6
143.07310	8.3
150.26143	2.7
156.08040	13.7
157.08850	14.6
158.09651	21.3
160.07559	100.0
174.09111	3.5
183.36230	2.7
184.07574	8.8
199.66179	2.9
202.08591	51.8
220.89264	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	202.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78909	1.4
53.03941	1.6
55.05512	7.6
56.05030	19.0
56.96573	1.6
57.45906	1.4
58.99580	29.4
58.99861	2.0
68.05034	1.6
68.28719	1.5
69.13388	1.5
70.06615	2.0
74.00666	2.2
76.02237	6.0
79.05487	29.6
80.06245	1.6
81.07050	22.7
82.06574	9.7
85.01121	100.0
86.00641	16.6
86.99052	14.8
88.02224	3.3
88.04012	1.7
88.61280	1.5
95.04963	2.0
96.08138	3.4
97.08904	8.0
98.09686	29.8
98.10226	1.9
100.02227	3.3
105.00094	8.9
105.07052	2.4
110.09744	2.5
111.55379	1.7
113.04221	43.5
120.01153	2.7
122.09670	2.4
132.01134	13.0
140.45068	1.8
146.39120	1.5
156.08427	8.5
185.06395	5.7
202.08960	18.1
224.55045	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	202.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55222	1.2
55.05497	5.1
56.05029	14.4
58.99582	29.6
59.08821	1.4
61.01124	1.7
76.02210	5.2
79.05480	33.0
81.07047	23.4
82.06569	7.1
85.01121	100.0
86.00641	14.9
86.99045	15.4
88.02184	3.1
88.03954	3.3
90.29031	1.6
91.71709	1.5
95.04964	2.3
96.08120	2.1
97.08904	6.9
98.09686	27.8
100.02193	3.5
105.00095	8.4
105.07066	2.6
105.91226	1.6
110.09641	2.1
111.38383	1.4
113.04219	40.2
122.09665	2.1
126.83395	1.8
132.01143	10.3
143.34312	1.4
147.32387	1.6
148.65057	1.8
156.08429	5.8
185.06305	5.8
202.08955	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	202.1074
Annotation	L-Dihydroanticapsin
Peak:m/z	Relative Intensity
52.11276	5.8
52.66205	6.2
55.01844	6.5
55.57376	6.8
56.96556	11.2
57.07053	18.8
67.05486	13.1
69.07066	20.2
70.02936	29.5
70.84756	6.5
72.04506	30.5
73.02911	22.7
81.03416	14.5
84.57519	6.8
85.06519	8.8
86.09708	19.1
90.05531	10.1
91.71069	15.6
95.04960	27.3
96.04511	10.8
98.02413	35.6
98.06055	10.3
100.03951	12.9
107.04366	7.9
112.03959	9.8
113.06002	11.5
114.05530	11.7
116.03453	36.3
119.01915	14.2
124.06186	8.0
124.07613	41.1
124.86525	6.9
125.02335	9.6
138.09106	11.7
142.03477	11.3
142.05028	13.2
142.08643	37.8
150.86856	8.2
156.10150	19.8
160.09688	12.5
184.09625	51.7
202.10686	100.0
212.47806	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	202.1439
Annotation	L-2-amino-8-oxodecanoate
Peak:m/z	Relative Intensity
53.03933	1.3
55.05503	12.6
56.05022	2.6
56.96547	1.5
58.82845	1.0
60.04511	1.9
60.95769	1.1
67.05480	1.4
68.05019	1.9
69.03426	1.7
69.07037	3.3
70.06564	5.9
72.08128	2.9
73.06553	15.8
74.06053	1.2
74.59689	1.3
77.70000	1.5
79.05446	1.5
81.03394	2.7
81.07020	1.3
82.06586	2.4
83.04966	2.4
84.04496	28.6
84.08136	100.0
86.06059	1.4
86.09702	9.9
87.56477	1.5
88.03969	1.3
88.29189	1.4
91.57528	1.3
96.04475	3.7
98.06060	1.5
110.09658	11.1
111.04421	1.7
113.02335	1.8
114.05495	6.0
119.01913	1.6
124.21728	1.6
130.04970	7.3
130.08632	28.5
138.05482	3.1
138.09096	6.5
138.12773	6.0
142.04994	4.6
156.06529	2.5
156.10214	10.8
156.13829	70.3
184.06105	1.6
184.09703	27.6
184.13301	18.6
202.10815	9.0
202.14369	94.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.2165
Annotation	DDAO
Peak:m/z	Relative Intensity
51.44868	1.3
53.30994	1.1
56.46103	1.1
57.07068	19.5
58.06580	4.8
59.40596	1.4
62.06085	15.2
70.45429	1.2
71.08609	6.9
72.72350	1.3
85.10155	4.9
88.32522	1.5
91.71067	1.7
94.74517	1.3
143.35384	1.7
145.83372	1.5
148.00847	1.8
151.74899	1.6
179.44371	1.5
184.20561	8.7
202.21642	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0702
Annotation	4-Hydroxy-5-methoxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
51.68092	2.9
70.81702	2.8
79.05484	6.9
87.87391	3.0
91.05489	9.6
99.46162	3.3
105.07018	9.0
107.04922	3.7
115.05459	10.7
116.06224	5.8
117.07078	3.2
128.06232	3.3
129.06999	7.3
133.06519	4.5
135.12393	3.1
144.05705	46.7
157.06476	7.7
158.07347	5.2
161.05952	30.5
175.07452	3.4
195.26447	3.2
202.07663	3.6
203.07002	100.0
203.08438	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	203.1065
Annotation	2,2-Dimethyl-6-vinylchroman-4-one
Peak:m/z	Relative Intensity
56.96545	7.6
57.07071	41.4
57.07300	7.2
67.05511	4.8
69.07045	5.4
71.08739	5.0
81.07026	9.9
83.04984	5.2
83.08604	6.3
91.05469	21.8
91.71606	6.5
91.76231	6.3
95.08556	5.6
105.07029	19.3
107.08566	5.5
117.06956	10.2
119.08568	21.9
121.02893	5.9
121.06480	5.5
128.06239	11.5
129.07018	13.5
133.10143	10.6
142.07785	15.0
147.04411	29.8
147.08064	10.0
147.11687	15.2
156.04288	6.7
157.10136	25.0
159.11685	9.7
175.11194	23.9
178.16599	6.9
188.08459	12.4
192.84679	6.5
203.06960	9.6
203.10635	100.0
220.13193	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	203.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40192	3.0
51.47283	3.0
55.05498	15.0
56.96550	12.2
57.03427	9.0
60.04512	10.7
67.05499	28.8
69.03431	23.0
69.07061	15.9
70.06583	5.6
71.04984	16.0
72.08160	5.9
79.05483	29.6
81.07047	33.9
83.04987	8.5
84.04488	6.3
85.06501	7.0
86.09696	12.2
87.04453	27.2
91.05468	24.3
93.07041	78.9
95.04934	7.0
95.08595	92.5
97.02860	4.2
97.06513	9.8
100.07642	6.8
101.06017	5.0
105.07034	18.1
107.04935	7.4
107.08591	12.1
115.03928	9.7
115.05460	18.9
121.10139	100.0
128.06219	12.5
129.06996	48.9
131.08588	7.3
139.11172	47.6
141.06969	6.1
145.48389	4.8
147.11690	8.2
149.09612	12.2
157.06456	25.4
157.10144	5.8
157.12254	8.0
167.10750	7.5
185.05920	27.1
203.06966	59.7
203.10678	5.4
203.14381	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	203.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.0
55.05495	13.4
56.96547	6.7
57.03418	4.2
59.88316	2.0
60.04517	4.4
60.86703	2.0
65.03942	2.0
67.05498	31.8
69.03416	22.4
69.07055	21.2
71.04988	7.3
72.08140	2.6
73.02896	4.0
79.05492	27.0
81.07047	35.1
83.04964	8.5
86.09702	29.0
87.04462	29.9
90.05557	3.8
91.05470	9.4
91.60954	2.3
93.07033	73.5
95.04952	2.4
95.08594	100.0
97.06493	8.5
97.10153	2.7
105.07008	18.8
105.74121	2.4
107.04985	2.2
107.08587	8.3
109.10164	6.3
111.04453	4.2
115.03915	10.8
119.08563	9.8
121.10132	90.2
121.10980	4.7
123.11713	3.0
125.06003	3.1
131.08557	6.6
133.10124	7.1
139.07524	4.2
139.11177	40.7
146.11784	4.6
147.11682	17.1
149.09654	7.8
157.12251	4.9
167.10713	4.1
182.82458	2.5
185.02133	4.3
186.03319	3.6
203.06920	4.3
203.17833	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	203.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54521	0.9
56.60526	1.0
57.03425	2.8
58.06590	2.1
60.04507	2.0
66.23282	0.9
70.06577	7.9
71.06109	1.7
72.04494	5.8
72.08149	2.9
73.02908	3.0
73.28812	1.0
85.02896	3.0
86.09679	1.7
87.04449	1.3
88.08710	2.5
95.93468	1.1
97.02869	2.0
98.06053	1.3
100.07607	100.0
114.05547	1.4
116.07085	3.7
125.10780	1.5
126.09133	9.5
134.84143	1.0
137.57642	1.2
142.03482	1.7
155.01897	1.8
157.64124	1.1
161.02962	1.2
173.03035	1.8
185.12837	2.1
186.11214	2.2
200.08882	1.1
203.05327	6.0
203.13834	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	203.1431
Annotation	Dehydrochamecynenol
Peak:m/z	Relative Intensity
54.37856	4.3
57.07057	16.0
58.30894	4.4
59.12333	4.5
60.04511	6.2
61.37878	3.8
62.06071	6.8
67.05492	10.1
67.95105	6.7
69.07050	11.3
76.61270	4.7
79.05482	5.8
81.07037	7.0
81.50583	4.7
81.65834	4.5
83.04916	4.3
85.10157	4.2
91.05476	23.3
93.07021	7.1
95.08602	11.0
105.07023	31.1
107.08557	7.8
117.07005	13.9
119.08571	24.1
129.07022	13.2
131.08548	10.7
133.10138	16.9
143.08528	9.6
147.08102	11.0
147.10535	5.6
147.11691	16.8
157.10052	10.3
159.11688	18.0
161.09612	6.9
161.13199	13.3
185.13266	16.9
187.10928	5.5
202.21609	40.2
203.14314	100.0
203.18048	9.7
203.22099	19.2
210.92247	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	203.143
Annotation	alpha-Amylcinnamaldehyde
Peak:m/z	Relative Intensity
52.25080	4.2
57.07072	77.9
57.07327	8.8
58.70837	4.1
67.05508	6.9
69.07081	18.5
79.05501	17.1
82.89783	4.5
85.06536	38.9
91.05476	48.7
93.07043	7.1
105.07056	31.2
108.16253	5.7
115.05499	6.6
117.06991	32.6
119.08591	39.6
119.26918	6.2
128.06241	32.1
129.07027	25.0
129.53661	6.2
135.75203	5.7
137.71867	5.2
143.08604	16.1
145.06525	8.5
147.08031	32.1
161.09616	10.5
163.25400	5.9
203.14276	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1431
Annotation	Anisoxide
Peak:m/z	Relative Intensity
55.01855	2.9
55.68562	1.7
56.81227	1.7
57.06828	1.9
57.07065	21.4
58.16591	1.6
60.08581	2.0
63.93413	1.7
65.03925	2.3
67.05492	2.3
69.07051	2.7
73.20290	2.0
79.05477	5.4
81.07034	5.0
85.06506	7.5
91.05457	10.3
93.07037	4.3
95.08583	8.4
101.57389	2.1
105.07007	19.1
108.76067	2.4
117.06994	6.4
119.08578	22.6
122.84279	2.1
124.54852	2.3
128.06212	15.8
129.06967	4.8
131.08513	2.7
133.10085	4.1
143.08543	21.8
145.06448	5.2
147.08020	13.3
160.08768	6.3
161.09572	5.0
200.25127	2.5
203.14299	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	alpha-Curcumene
Peak:m/z	Relative Intensity
54.02315	1.7
55.05490	6.5
55.40006	1.8
56.87084	1.5
56.96551	4.6
57.07058	3.1
63.92487	1.5
65.65566	1.5
67.05495	11.4
69.07039	5.7
69.29806	1.7
71.08596	1.7
79.05454	3.1
81.07050	13.1
83.08588	1.7
85.80588	1.6
91.05463	8.7
93.07001	8.4
95.08596	32.4
101.53403	2.1
105.07029	53.4
107.08580	14.9
109.10143	15.7
119.08576	34.3
121.10114	9.1
123.11710	4.5
131.08536	3.8
131.22513	1.9
133.10130	35.4
134.80455	2.4
145.10074	3.6
147.08038	2.9
147.11687	90.3
159.11699	2.6
160.12454	3.1
161.13278	11.7
203.07072	2.2
203.14265	3.5
203.17935	100.0
217.53685	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	203.1794
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
51.88867	1.9
55.05492	5.7
56.96556	3.8
57.16463	2.1
59.80774	1.9
60.04514	3.4
61.75688	2.1
62.08034	2.6
65.03907	3.4
67.05492	23.6
69.07036	6.3
79.05470	6.4
79.76973	2.2
81.06620	2.6
81.07053	49.3
91.05466	15.3
93.07037	22.0
95.08595	73.4
105.06400	3.7
105.07031	43.3
107.08590	46.0
109.10146	61.4
111.38795	2.5
115.03864	2.9
119.08570	26.5
121.10116	17.4
123.11695	7.1
126.72411	2.4
133.10126	24.6
135.11684	4.1
138.05501	3.2
138.78633	2.6
145.10103	4.1
147.08006	3.7
147.11679	44.0
161.13245	11.4
168.06071	2.5
175.14806	3.5
185.02144	3.4
203.06429	3.7
203.17929	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Iso-alpha-curcumene
Peak:m/z	Relative Intensity
52.39222	2.3
55.01841	2.0
55.05500	7.7
57.07055	7.3
60.56255	2.2
64.29989	2.0
67.05492	26.7
69.07047	18.6
79.05480	11.7
81.07044	29.5
83.08600	5.6
85.06537	4.1
91.05457	23.9
93.07034	27.1
95.04958	3.8
95.08597	57.5
105.07019	50.4
107.08590	46.9
109.10144	35.3
117.07018	6.7
119.08567	38.3
121.10141	26.0
123.08089	3.0
123.11660	3.7
128.06223	5.7
129.07010	2.6
131.08597	4.2
133.10112	39.9
135.11713	6.1
143.08539	4.8
145.10133	3.9
147.07939	3.2
147.11674	49.9
147.66949	2.8
150.51521	2.8
159.11624	2.6
161.13219	15.1
175.14754	5.6
203.07098	2.9
203.14317	32.7
203.17934	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
54.71537	2.6
54.76363	3.0
55.05494	13.2
57.07053	4.6
67.05505	20.8
69.07056	11.3
69.40987	2.9
73.99467	2.9
77.39591	2.8
79.05499	3.1
81.07051	30.9
83.08621	8.5
87.72527	2.9
91.05470	15.1
93.07047	19.9
95.08598	34.8
105.07026	90.5
107.08582	17.2
109.10152	26.3
117.07003	4.1
119.08582	60.3
121.10133	37.0
123.11652	3.9
133.10115	21.2
135.11615	4.2
147.11676	64.4
161.13228	21.4
175.14830	3.9
203.14439	4.4
203.17940	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05499	11.8
56.89498	5.4
60.04520	6.5
64.14622	5.6
67.05501	45.4
69.07059	11.6
79.05485	8.6
81.07037	49.8
83.50721	5.3
91.05479	17.3
93.07034	20.8
95.08585	86.5
105.07024	55.1
107.08598	30.9
109.10150	94.2
114.05549	7.4
114.40910	5.8
119.08583	51.9
121.10133	12.0
123.11754	8.3
133.10136	25.0
141.17715	5.3
147.11684	54.7
148.73100	5.7
161.13220	11.0
175.14882	8.0
203.17949	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.70623	6.5
55.05502	7.9
67.05500	45.8
69.07067	11.2
81.07050	42.0
81.07469	6.9
82.77705	7.1
93.07018	11.5
95.08609	51.6
105.07023	22.1
107.08570	13.2
109.10147	100.0
119.08577	20.5
133.10098	11.2
143.98083	11.3
147.11673	41.0
161.13235	8.1
202.99428	11.9
203.17964	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	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.72197	2.1
55.05495	4.5
57.07074	3.0
67.05492	25.9
67.10373	2.8
68.52439	2.4
68.97920	2.3
69.07060	13.1
70.72889	2.6
72.90104	2.5
79.05492	7.3
81.07047	42.9
83.08611	4.4
91.05471	21.7
93.07022	27.3
95.08598	75.0
105.07026	47.6
107.08580	27.5
109.10150	69.7
109.40459	2.7
119.08581	31.9
121.10119	20.4
123.11697	13.2
128.51572	2.8
132.94171	3.1
133.10118	26.1
135.11690	7.4
147.11696	45.6
161.13260	19.7
175.14807	9.1
197.52475	3.3
203.17943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.93325	1.5
55.05499	3.9
67.05494	41.5
69.07059	11.2
72.22929	1.7
79.05463	4.5
81.07052	34.2
83.08571	2.4
91.05481	5.4
93.07043	7.5
95.08601	43.0
100.91936	1.9
105.07025	27.8
107.08571	11.3
109.10149	100.0
119.08570	22.4
120.27842	2.0
121.10151	5.7
123.11713	2.7
132.13094	1.7
133.10143	12.6
135.11708	4.0
145.10146	2.6
147.11687	35.9
159.01280	2.1
160.12566	1.8
161.13254	5.2
175.14856	2.9
203.17946	48.3
203.19727	2.4
209.66679	2.1
215.25412	1.9
220.52557	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
54.24740	1.6
55.05490	5.1
57.07057	2.8
57.51252	1.7
67.05161	2.8
67.05495	25.2
69.07038	6.0
70.04803	2.6
79.05463	6.6
81.07047	43.1
81.69614	2.2
81.82317	2.0
91.05460	8.7
93.07040	16.1
95.08599	70.2
104.75599	2.0
105.07025	37.8
107.08591	36.6
109.10144	59.8
114.40387	2.4
119.08579	27.0
121.10144	13.4
123.11677	6.9
125.00707	1.9
133.10115	25.6
135.11703	3.0
147.11671	45.6
161.13251	14.4
175.14847	3.0
203.17928	100.0
221.26131	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	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
54.46133	0.9
55.05492	5.5
56.36149	1.1
62.62022	1.1
63.30561	1.0
65.44085	1.1
67.05492	42.2
69.07060	9.6
75.11784	1.1
77.85456	1.1
79.05480	2.8
81.07042	37.2
83.08608	2.7
90.52214	1.3
91.05465	4.8
91.71601	2.6
93.07026	7.7
95.05054	1.2
95.07969	1.6
95.08591	40.7
105.07020	24.8
107.08586	8.9
109.10145	100.0
111.96857	1.3
119.08581	20.0
121.10123	4.1
123.11710	3.7
133.10153	9.3
135.11684	4.5
137.26170	1.4
140.44218	1.3
141.36131	1.4
145.10136	2.0
147.11670	33.2
152.99472	2.0
161.13245	5.7
175.14848	1.4
203.17929	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	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.72895	1.5
52.32278	1.5
55.05492	6.7
58.92781	1.3
66.57518	1.4
66.83187	1.6
67.05491	49.2
68.64074	1.4
69.07050	7.7
79.05487	3.8
81.07038	29.7
91.05475	3.6
91.71315	4.9
93.07027	7.7
94.97415	1.6
95.08597	25.8
105.07018	20.1
107.08598	9.8
107.77820	1.6
109.10144	100.0
119.08584	13.1
121.10134	4.9
123.11689	2.8
133.10112	6.9
135.11699	4.2
145.10132	2.7
147.11687	18.5
159.67319	1.9
161.13275	4.8
203.17917	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	203.1795
Annotation	alpha-Curcumene
Peak:m/z	Relative Intensity
51.32015	2.2
54.18828	2.1
55.05494	5.4
56.96552	4.4
57.07055	4.7
58.14701	2.3
60.04509	5.9
67.05482	9.9
68.06556	2.2
69.07053	8.8
71.16254	2.2
79.05459	5.1
81.07051	13.6
83.08590	3.5
91.05464	17.3
91.71699	3.1
93.07018	9.7
95.08057	3.4
95.08606	35.9
102.04538	2.8
105.07025	61.2
107.08566	11.2
109.10166	15.7
113.68659	3.0
119.08582	38.5
121.10133	6.4
133.10107	35.4
145.10155	4.8
147.11681	92.8
161.13231	8.3
175.11197	3.7
203.10600	10.8
203.17944	100.0
210.59299	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	204.06
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74270	3.0
56.05009	2.8
56.96559	20.0
57.03419	6.4
60.04515	100.0
60.95864	2.5
61.02909	3.9
68.05019	13.9
69.03416	7.2
72.08745	3.5
72.57679	2.7
73.02903	13.4
81.03427	4.2
84.04488	25.9
85.02889	18.8
91.05507	3.3
92.61260	3.0
95.04929	3.7
96.04502	16.4
96.68324	3.1
97.02886	29.7
98.97594	9.7
99.04413	3.9
103.03926	2.7
107.04962	7.6
109.02910	4.2
110.03703	3.6
110.06055	6.0
110.97600	3.3
114.05522	20.4
116.98643	7.2
121.00772	5.0
121.06507	7.6
125.05991	49.7
126.05511	28.9
126.06314	5.3
127.03916	8.4
130.06537	4.2
138.05544	9.7
139.01845	13.5
140.00168	7.5
144.02307	5.1
149.05956	6.3
152.00146	4.1
158.05974	4.5
162.03400	6.5
163.01843	13.2
168.06633	4.5
170.01227	4.7
181.02927	19.4
186.03413	53.7
186.07552	5.7
193.02960	4.0
199.02812	7.6
204.04515	9.3
204.06662	6.2
204.08665	27.6
204.10252	5.7
204.13852	10.5
204.99585	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	204.0866
Annotation	N2-Acetyl-L-aminoadipate
Peak:m/z	Relative Intensity
51.25198	2.0
56.05020	3.8
57.03420	5.8
60.04515	100.0
61.02908	3.0
68.05017	4.6
68.99812	2.0
69.03417	5.7
70.06582	27.2
71.04980	16.7
71.06093	8.1
72.04520	3.8
72.08124	2.6
81.03415	3.3
84.04496	18.0
85.02889	25.7
86.06049	4.9
89.76722	1.9
96.04490	12.0
97.02884	10.7
98.06029	3.1
99.04464	5.2
100.07610	20.7
101.07933	7.9
102.05511	2.7
103.03922	10.6
110.06029	2.6
114.05526	29.1
117.05473	2.5
121.01633	2.3
121.45193	2.3
126.05524	14.6
127.03854	2.6
134.08127	3.5
138.05478	12.9
143.01886	2.8
144.06526	7.3
145.04979	5.2
150.15701	2.2
152.23598	2.3
157.03435	2.7
158.08118	23.2
158.12877	19.1
162.03264	3.5
168.06519	3.6
196.04599	2.9
204.08670	41.1
204.13448	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04803	2.7
55.01862	7.6
55.05510	25.5
57.07063	7.9
58.99575	66.0
60.04511	13.2
61.01137	8.1
68.19240	3.3
73.01130	14.4
74.00658	4.0
76.02225	20.5
79.05505	8.5
81.07050	59.0
83.08614	14.0
86.99048	33.5
88.02168	3.4
88.03986	6.3
99.02664	4.0
100.02203	5.9
100.11247	100.0
102.97787	3.0
104.14180	3.2
105.00076	14.5
105.06975	3.1
112.11288	3.5
115.05784	14.0
116.05318	10.0
120.01157	3.3
126.05585	4.3
141.07373	4.1
158.09959	27.6
186.03464	5.7
187.07860	68.5
195.86035	3.7
204.10507	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69378	1.8
55.01866	2.3
55.05514	12.1
56.96556	4.4
57.03429	7.4
58.06582	8.1
60.04520	82.5
65.68237	2.1
67.05229	2.1
67.05496	22.3
67.28079	2.9
68.05010	7.9
69.03417	5.4
69.07062	33.4
70.06582	63.3
71.04980	5.0
72.04508	3.4
72.08128	3.6
76.49603	2.7
78.95264	3.0
79.05460	5.7
80.49374	2.4
81.03403	4.7
81.07049	41.9
82.06568	5.3
83.04981	5.3
83.08598	11.6
84.04491	27.8
84.08119	7.1
85.02895	9.2
85.06554	4.0
91.05476	12.8
93.07035	10.0
95.04961	2.9
95.08599	4.0
96.04494	10.3
97.00812	2.9
97.02879	11.9
98.06046	5.1
99.04453	4.9
100.07655	2.7
103.03944	3.2
105.07030	14.2
107.08576	12.0
109.02867	2.7
109.06527	2.8
109.10154	29.7
114.05510	13.5
119.97884	8.3
120.02416	3.5
120.08082	8.1
121.00764	5.8
123.11703	36.5
126.05535	21.8
127.03950	3.6
131.04974	2.7
133.10107	30.2
135.04504	2.6
138.05531	12.7
139.01833	10.7
140.14348	3.2
144.02315	5.8
144.06544	8.3
150.12721	3.9
151.11171	20.7
158.08133	3.5
162.03404	8.1
163.01834	15.4
163.96849	7.4
168.06532	4.8
168.13823	84.2
169.12222	6.9
176.07007	3.1
181.02850	21.8
185.02347	2.9
186.03401	57.6
186.07578	4.3
186.14888	100.0
204.04637	13.4
204.06764	4.6
204.08635	16.8
204.13881	9.1
204.15977	38.4
204.99562	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	205.086
Annotation	Anofinic acid
Peak:m/z	Relative Intensity
52.21535	2.6
53.22516	2.0
54.78339	2.0
55.01849	4.1
56.96561	2.6
57.07066	4.1
71.55769	2.9
78.95255	5.6
79.05472	7.8
80.92822	2.4
81.03420	4.4
81.07046	2.5
81.56239	2.1
89.18127	2.8
91.05494	13.4
95.04942	6.4
97.02892	4.3
99.04482	2.4
103.05462	12.9
105.07024	87.7
109.02908	4.6
115.05473	21.3
117.07013	4.6
118.04151	6.3
118.06577	5.3
119.97881	9.2
120.08111	3.8
121.02901	3.1
127.03963	4.6
127.79710	2.5
128.06224	6.2
129.07014	8.5
130.04192	2.8
131.04930	9.3
131.08517	7.7
133.06490	75.2
133.07483	5.1
143.06026	5.8
144.05695	9.0
144.08035	2.5
145.06612	2.9
146.06067	6.5
146.07236	4.4
147.04436	5.7
149.02327	18.6
156.05743	5.6
159.08067	36.9
161.05971	100.0
161.07317	4.9
162.06766	10.1
163.96858	2.7
177.09053	3.6
181.41432	3.0
181.97847	4.5
187.07535	79.3
187.09183	5.4
188.06984	6.4
204.99521	9.1
205.08534	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0972
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
50.60657	0.8
64.82510	1.1
74.02402	1.6
91.05473	3.0
109.95267	1.0
115.05460	4.6
117.05763	3.0
117.07023	3.4
118.06534	51.2
130.06522	3.9
132.08084	14.6
142.06503	4.6
143.07303	7.5
144.04411	1.1
144.08072	26.2
145.06482	1.2
146.06000	100.0
159.09143	9.6
160.07610	1.4
168.27144	1.1
170.06021	7.8
188.07051	85.8
205.09729	2.1
205.11612	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94207	5.9
55.01862	8.5
55.05495	7.4
56.96551	28.4
57.07055	25.0
60.04509	19.1
61.04856	5.2
63.92929	16.7
65.03925	9.6
67.05493	14.1
67.34579	5.0
67.71714	6.2
69.03410	32.1
69.07054	6.4
71.04977	7.1
78.95264	17.0
79.05481	9.9
81.03400	25.1
81.07046	10.1
82.91135	5.3
83.04994	7.8
85.02897	30.6
91.05460	42.2
93.07038	83.0
95.04959	18.2
97.02880	32.4
97.09207	4.9
98.07130	5.5
99.04465	7.0
105.07006	56.9
107.08579	7.1
108.04442	6.8
109.02886	13.6
111.04465	10.5
111.82088	5.8
115.05466	13.1
116.06228	6.2
117.07013	26.2
118.06555	8.8
118.60213	6.3
119.08592	32.6
119.97878	52.4
121.02853	14.9
121.06505	100.0
121.10090	8.9
121.95770	13.8
122.94229	10.0
127.03901	16.4
129.07004	9.4
131.04922	6.1
131.08534	33.4
135.08041	10.3
140.95184	10.0
142.03561	8.4
144.09369	14.3
145.06490	22.2
145.10109	36.0
146.06035	16.1
149.02338	85.7
157.10181	7.1
158.96283	9.2
159.08105	11.7
159.11691	93.9
161.06004	7.8
163.11180	23.6
163.96889	16.8
172.08852	9.4
181.97870	15.5
187.07529	9.6
187.11165	12.4
188.07028	8.5
204.99461	51.9
205.08739	21.9
205.12057	38.7
205.16014	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	205.195
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
55.05495	6.4
56.96568	3.3
57.07058	7.9
62.37280	1.5
67.05500	10.4
69.03402	2.4
69.07051	6.5
79.05480	7.3
80.45681	1.7
81.03401	3.4
81.07046	33.8
83.08595	2.1
91.05472	8.3
93.07034	20.5
95.01255	1.6
95.08600	17.7
97.02872	4.2
97.10142	3.4
105.75306	1.9
105.85786	2.1
107.08597	22.4
109.10157	14.5
109.98550	1.6
112.12338	1.7
112.94329	1.5
119.01920	4.4
119.97857	5.4
121.06461	2.1
121.10109	7.1
123.11698	100.0
129.06871	1.7
135.11685	49.3
140.30078	1.8
142.03500	6.2
145.03290	1.9
149.02324	6.5
149.13254	14.3
152.63503	2.2
163.96812	2.6
165.05110	11.9
177.87108	2.1
187.07501	2.5
204.99513	5.3
205.19522	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
55.05503	8.4
57.07057	2.3
65.03935	1.1
67.05132	1.5
67.05495	31.6
69.07054	8.5
72.93771	3.6
79.05493	7.0
81.07049	45.8
83.08609	2.1
91.05466	3.0
92.89807	1.1
93.07039	18.3
95.08601	100.0
97.02903	2.2
97.10165	3.4
102.78211	1.2
105.07018	1.4
107.08595	16.3
109.10151	63.0
113.96390	7.0
117.43362	1.2
119.01926	4.3
121.10130	12.0
123.11696	21.9
131.97440	1.4
135.11681	19.0
137.02899	1.6
142.03490	5.6
149.02348	2.6
149.13246	18.6
154.99004	9.3
160.04556	1.4
163.14836	1.5
163.21843	1.2
165.05092	9.0
177.06503	1.4
182.03226	1.2
191.62773	1.1
205.15927	1.4
205.19478	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03938	1.6
55.05505	13.1
55.69035	1.4
57.07073	7.2
65.03941	1.5
67.05496	25.5
69.07066	26.6
71.08643	1.5
72.93800	5.1
75.46173	1.4
79.05492	9.3
81.07044	40.6
81.30384	1.4
81.30956	1.2
83.08624	5.6
91.05499	5.4
91.67886	1.4
93.07034	39.2
95.08598	100.0
97.02882	2.6
97.10173	7.7
101.00893	1.8
105.07034	3.0
107.08586	36.7
107.09258	2.5
109.10152	51.9
111.11755	2.6
113.96412	8.7
115.82255	1.8
119.01949	4.1
119.84798	1.7
121.02851	1.9
121.10135	40.6
121.10960	2.3
123.11700	51.4
123.12547	2.6
131.97479	4.9
135.11688	37.2
137.13277	2.1
142.03548	6.7
149.02406	6.2
149.13246	40.4
149.16435	2.1
154.98999	16.3
160.04604	2.4
163.14857	3.4
165.05074	14.4
173.27306	1.8
183.06355	1.7
205.19508	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
52.40764	2.0
53.00274	2.4
53.14713	1.8
53.60248	2.2
55.05504	5.3
55.93528	3.0
56.72234	2.3
57.07062	2.9
65.30840	2.0
67.05491	8.7
69.07062	15.7
70.34740	2.1
72.93784	14.2
79.05479	10.2
81.07050	50.6
83.08601	3.2
90.94810	3.5
91.05473	7.4
93.07039	49.8
95.04960	2.5
95.08596	27.4
97.10158	3.5
105.07011	4.7
107.08589	24.6
109.10140	24.4
113.96388	21.7
119.01931	8.6
119.14353	2.7
121.10130	100.0
123.11692	8.5
131.97458	11.6
135.11678	18.1
139.24664	2.7
142.03496	12.0
149.02345	12.3
149.13229	31.0
154.99023	39.4
163.14847	3.3
165.05110	19.9
184.34700	2.9
185.26131	3.2
189.26817	2.9
196.01645	2.8
205.19527	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
55.05513	4.4
57.07062	6.0
59.40044	1.8
59.67939	1.4
67.05486	6.8
69.07061	11.7
72.93777	13.9
79.05482	8.3
81.03401	3.7
81.07046	46.7
83.08604	4.0
88.74904	1.9
91.05457	4.4
93.07034	47.1
95.08590	16.8
97.02887	4.8
97.10226	2.3
105.07040	4.8
107.08588	21.2
109.02797	2.2
109.10146	19.8
113.96387	29.1
119.01917	5.9
121.02848	2.5
121.10132	100.0
123.11701	8.4
126.00314	1.7
131.08711	2.1
131.97440	8.6
135.11682	13.8
137.03046	2.0
137.97870	2.1
140.55084	2.0
142.03510	8.2
149.02327	10.6
149.13234	26.4
154.99005	52.2
155.99252	2.0
165.05058	23.0
183.06140	3.3
196.01653	3.5
205.19548	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	206.0448
Annotation	6-Hydroxykynurenic acid
Peak:m/z	Relative Intensity
52.14588	0.6
53.03923	0.5
56.96561	1.4
57.03449	0.6
60.04518	0.8
67.05482	0.8
68.05016	0.6
69.03423	1.3
70.20311	0.7
70.86501	0.6
71.04990	1.1
72.04496	0.9
78.03694	0.8
78.22659	0.6
80.05014	0.9
81.03428	4.2
83.04947	0.8
86.06079	0.6
89.82374	0.6
95.04961	1.3
99.04450	1.4
104.04982	0.7
105.03376	2.0
106.30791	0.7
107.04971	0.7
108.04486	1.7
109.02917	0.9
110.07142	0.7
111.04455	1.0
114.41237	0.6
119.01933	1.4
124.65148	0.7
132.04437	2.6
133.02876	0.7
142.03581	1.1
146.08130	0.7
147.31972	0.6
150.05481	4.2
160.03885	0.7
160.07538	0.7
164.09171	0.7
165.05037	1.1
174.36632	0.7
178.04985	100.0
188.09125	2.1
201.06558	2.9
206.04471	41.6
206.07918	2.1
226.07672	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41115	0.3
76.29746	0.3
82.99852	0.9
100.02487	1.0
100.67487	0.3
101.00873	12.1
118.03536	1.0
119.01916	59.2
123.04070	0.6
124.02430	13.9
137.02951	13.4
141.04164	0.3
141.05083	2.3
142.03493	87.0
143.03795	1.1
160.04550	16.8
161.97270	0.4
165.05089	100.0
166.05453	3.4
182.07759	0.7
183.06149	11.7
184.06508	0.5
206.07735	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	206.1023
Annotation	Casuarine
Peak:m/z	Relative Intensity
55.05500	5.9
56.05021	21.2
57.03427	5.2
58.06597	21.8
59.93307	4.1
60.04514	21.8
66.86034	3.3
68.05007	15.2
69.03407	4.9
70.06605	6.2
71.04979	12.4
74.06084	4.9
80.05004	6.1
81.03419	11.0
82.06568	11.0
83.04920	5.3
83.06908	9.9
84.04498	100.0
85.02902	23.9
87.77052	4.6
94.43197	4.6
96.08115	92.5
99.04414	11.0
102.05569	7.8
110.06048	12.6
117.87380	4.6
120.30151	4.4
122.06054	5.8
122.53992	6.5
124.07577	56.7
128.07068	8.8
129.05460	4.6
129.07353	4.7
130.05096	6.8
142.08626	56.8
142.10478	4.8
146.08083	11.5
152.07092	7.2
160.09679	61.4
160.13338	5.8
164.09216	6.2
170.08130	64.2
188.09163	62.8
206.10216	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	207.1016
Annotation	Aristelegone C
Peak:m/z	Relative Intensity
55.01863	16.2
55.05487	3.2
56.96547	10.6
65.92613	2.8
67.05484	4.5
69.03418	6.3
75.07324	2.1
76.15336	2.7
79.05498	8.6
80.94927	3.7
81.03405	4.3
81.07053	6.6
83.04989	7.7
85.06499	2.6
91.05489	25.5
93.07035	8.9
95.04948	8.0
97.31305	2.5
103.05479	4.7
105.07015	27.6
107.04961	6.4
109.06512	4.1
109.10145	4.1
111.04422	9.5
111.89748	3.7
112.81947	2.9
117.07021	8.6
119.08572	22.1
120.08112	3.7
121.06493	9.1
121.97547	10.7
128.06230	6.7
129.07008	11.4
133.06540	6.2
133.10121	21.4
137.09624	3.9
143.03648	4.2
143.08556	9.0
145.06503	5.9
147.08047	100.0
147.27443	3.0
151.07671	4.7
161.05928	5.1
161.09604	77.8
163.07495	4.6
165.96581	5.4
166.05206	9.7
171.08022	6.9
179.06934	3.8
179.10628	6.9
189.05458	5.5
189.09091	44.6
203.80960	3.1
206.99196	13.4
207.06572	7.5
207.10112	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	207.1016
Annotation	Narchinol A
Peak:m/z	Relative Intensity
52.69534	3.4
55.05489	3.8
56.96547	12.3
60.75653	4.4
65.92606	4.6
67.05476	12.7
69.03411	10.3
77.92999	4.5
79.05481	15.0
81.03398	7.2
81.07048	12.3
91.05455	41.7
93.07016	10.4
95.04964	15.5
95.08646	5.7
95.38157	4.0
97.02882	14.1
98.20055	4.2
103.05446	5.7
105.07024	41.8
107.08609	10.2
109.06499	9.2
109.10172	10.0
115.05442	17.9
117.07018	33.7
119.04965	7.7
119.08575	22.4
121.06482	10.7
121.97591	6.3
128.06187	47.8
129.06976	28.0
130.07776	15.4
133.06464	14.6
133.10135	17.4
137.09650	29.6
143.03621	5.9
143.08553	56.8
145.06505	11.5
145.10106	24.3
147.08087	5.7
161.05989	16.8
161.09564	23.9
165.09102	19.0
165.96533	5.7
166.05264	8.8
171.08061	22.0
176.08325	30.6
179.06949	5.0
179.10680	16.5
183.97580	4.5
189.09088	100.0
192.07755	7.2
206.99104	8.9
207.06505	7.6
207.10161	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	3-Dimethylallyl-4-hydroxybenzoate
Peak:m/z	Relative Intensity
50.80992	1.1
55.05463	1.1
57.21951	0.9
58.22417	1.0
58.48293	1.0
65.03926	1.3
67.05488	4.8
69.03417	3.1
79.05471	6.9
81.03395	1.6
83.04963	3.7
91.05475	15.1
93.07029	2.9
95.04954	15.0
97.06516	1.8
105.07021	15.6
107.04956	2.6
109.02865	2.1
109.06519	3.8
115.05450	4.2
117.07003	5.4
118.07790	1.5
119.08582	18.2
121.06507	4.0
123.04394	2.6
128.06218	27.4
129.07019	2.3
131.08575	4.2
132.05736	1.6
133.06493	1.5
133.10135	13.6
135.08081	2.4
143.08548	35.3
145.06493	5.2
146.07283	5.4
147.08044	18.6
161.09607	100.0
171.08121	2.9
179.10687	1.5
189.09085	17.1
207.10146	14.0
216.82291	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1015
Annotation	3-Dimethylallyl-4-hydroxybenzoate
Peak:m/z	Relative Intensity
50.87704	2.3
53.03941	5.2
55.01869	3.2
55.05505	4.8
56.96571	6.6
67.05508	11.0
79.05489	40.8
79.05863	3.6
80.94533	3.2
80.94971	7.2
81.03405	67.4
81.07086	5.3
83.04999	12.6
91.05466	34.9
93.07049	5.6
95.04955	48.5
95.05431	3.5
105.04537	4.9
105.07027	34.9
107.04991	14.3
109.02872	23.7
111.04408	5.8
115.05458	6.7
117.07011	15.7
119.08564	30.6
121.06541	6.8
121.97604	7.9
123.04422	4.0
125.06025	7.8
128.06207	37.6
128.06998	3.2
129.07030	7.8
131.04951	6.0
131.08604	9.5
132.05737	5.1
133.06520	7.5
133.10100	20.8
143.08556	38.5
145.06566	11.3
146.07304	3.8
147.08037	28.4
150.04282	11.3
161.09598	100.0
165.96564	4.7
166.05292	4.5
171.08124	6.2
185.02708	3.7
186.33282	3.5
189.09067	22.6
206.99310	11.3
207.10028	6.2
207.11613	6.0
208.25836	3.9
213.74689	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	207.1017
Annotation	3-Dimethylallyl-4-hydroxybenzoate
Peak:m/z	Relative Intensity
55.05507	13.4
56.96548	29.6
58.80876	6.0
63.67754	6.4
65.92639	6.4
67.05488	12.1
69.03419	18.4
72.52074	8.8
77.53102	6.3
79.05486	12.0
80.94941	14.4
81.07039	9.9
83.05009	8.9
85.02905	21.9
91.05465	62.1
93.07043	13.8
95.04939	13.1
95.08628	8.9
97.02884	12.5
103.05447	10.5
105.07028	74.9
109.05295	8.0
109.06503	83.4
109.10160	8.7
110.16656	8.1
115.05486	12.7
117.07015	32.8
119.08588	60.1
120.01973	8.6
120.08079	11.9
121.97564	20.3
123.04468	8.3
123.08077	8.3
125.06018	16.1
128.06227	30.4
129.07013	15.7
133.10126	36.5
143.08554	32.9
145.10118	20.8
146.07289	11.1
147.08060	98.5
147.11720	13.2
160.96053	8.3
161.05949	16.3
161.09586	84.3
165.96617	8.6
166.05223	9.6
183.97652	8.5
189.09088	100.0
206.99252	19.9
207.06395	12.2
207.09929	45.4
207.13698	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	3-Dimethylallyl-4-hydroxybenzoate
Peak:m/z	Relative Intensity
50.45955	1.9
53.03936	5.4
55.01883	3.2
55.05501	5.4
55.09980	2.1
56.96561	6.1
60.78443	2.4
64.92260	2.0
67.05512	10.7
69.03442	3.2
79.05486	30.3
80.94957	3.1
81.03408	45.1
81.07057	2.8
83.04989	11.7
85.02892	3.4
88.00945	2.6
91.05473	29.8
91.85131	2.2
93.06514	2.5
93.07071	8.4
95.04962	39.9
103.05506	4.6
105.07021	35.4
105.07565	3.3
105.87761	2.2
107.04986	11.8
107.08649	4.4
109.02883	20.4
109.06523	3.8
111.04472	5.4
115.05498	7.2
117.07004	14.0
117.43813	2.2
118.40867	2.2
119.08573	27.6
119.48071	2.5
120.08146	4.5
121.06545	7.6
121.08457	2.2
121.97601	7.4
124.50085	2.5
125.06045	6.9
128.06216	41.7
128.64662	2.4
129.07050	9.0
131.04987	8.2
131.08575	4.2
133.06519	7.8
133.10129	20.5
143.08553	37.7
143.09554	2.7
145.06502	8.3
146.07315	7.2
147.08034	22.9
151.03889	3.3
158.99741	2.6
159.08124	4.3
160.95865	2.9
161.06000	5.7
161.09607	100.0
165.96628	2.9
171.08119	7.0
189.09081	23.4
190.06604	2.8
206.99225	5.1
207.06645	2.8
207.10083	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01875	2.6
55.05500	17.2
56.96555	5.9
57.07092	4.8
65.03932	4.2
66.17100	3.0
66.31759	2.8
67.05483	27.1
69.03404	2.9
76.42717	2.7
78.78279	2.8
79.05499	3.7
81.03437	4.6
81.07072	3.6
83.04993	4.3
85.06525	7.3
91.05495	12.8
91.71660	3.3
93.07071	14.6
95.04990	8.3
95.08596	100.0
105.07019	8.0
107.05033	4.2
107.08628	16.2
113.06052	6.4
113.33688	3.7
117.07061	3.9
119.08557	22.6
120.08147	4.0
121.06537	8.1
121.10167	7.9
121.33563	3.2
123.08055	41.1
123.11721	4.8
133.10185	4.9
135.08118	5.1
135.11716	5.7
137.09674	10.6
141.80461	3.2
147.11659	8.8
149.09610	23.2
151.07614	7.6
153.09174	10.7
161.13333	12.7
165.09114	35.2
165.12811	3.4
177.09508	4.1
189.09111	6.1
189.12827	12.0
201.09848	3.4
206.99187	4.6
207.13805	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.97519	1.1
53.03936	3.0
55.01850	1.2
55.05492	4.5
56.96537	1.8
57.40551	1.1
67.05493	23.7
69.03385	1.6
69.07037	4.0
69.35688	1.4
71.04968	2.2
73.06509	2.2
79.05488	38.9
80.94935	2.7
81.03404	2.5
81.07043	21.1
83.04983	3.1
83.08606	2.9
85.02878	1.5
85.06527	4.2
91.05472	51.5
91.85896	1.4
92.70957	1.4
93.07034	100.0
95.04420	2.4
95.04964	22.3
95.08597	7.6
105.04514	2.4
105.07019	20.9
107.08599	5.8
109.06527	4.6
117.07005	3.1
118.06571	2.5
119.01960	1.6
119.08586	10.1
120.02020	4.8
120.08081	4.1
121.06431	1.4
121.97543	3.7
123.08107	2.6
127.07513	1.6
129.06967	7.6
133.10127	4.5
142.03467	2.1
143.03612	6.3
143.08563	2.8
145.10150	6.1
147.11674	39.7
147.92792	1.7
152.34863	1.5
153.09734	1.5
156.03317	1.8
161.09630	4.9
161.13274	4.9
165.05113	6.4
165.96606	2.1
166.05232	12.9
169.57204	1.8
171.11658	16.9
184.06317	2.0
189.12782	9.7
206.99211	3.9
207.06290	3.7
207.08072	2.4
207.11845	2.5
207.13747	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95044	1.4
53.00293	3.2
53.74084	1.8
57.07066	67.3
58.99581	10.4
62.99049	2.4
69.07048	4.0
71.08250	3.5
71.08621	53.0
76.08004	2.0
77.00616	100.0
77.62176	1.7
95.01618	1.7
95.04939	2.0
103.05466	2.0
105.34541	1.6
120.08099	2.5
121.06458	3.2
121.97523	1.9
143.03600	3.1
151.11066	2.0
165.05151	2.9
166.05254	6.5
179.10686	3.6
181.42294	2.1
193.74420	2.2
202.35410	1.8
206.99138	2.1
207.14116	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25249	0.7
57.07069	56.9
65.03928	1.1
67.05503	2.1
69.03387	0.8
69.07047	2.0
72.44148	0.8
79.05487	13.1
79.97668	0.8
81.07030	1.3
85.06534	43.0
90.10299	0.8
91.05471	13.4
95.04977	1.3
105.07022	15.6
107.08588	100.0
109.06513	3.3
111.04477	1.1
119.08571	1.2
120.02061	1.3
120.08101	1.1
121.06503	2.5
123.91142	0.8
132.40167	0.8
133.10094	5.6
142.03523	1.6
143.03630	2.0
145.63440	0.8
154.99110	1.1
165.05075	1.8
166.05206	4.3
166.12302	1.5
184.06248	1.1
189.16321	4.7
207.17415	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	207.1856
Annotation	DICYCLOHEXYLCARBODIIMIDE
Peak:m/z	Relative Intensity
55.05499	1.4
56.05025	0.4
56.96554	0.9
57.03428	0.5
57.65050	0.4
65.03908	0.5
65.92626	0.8
67.05500	1.2
68.05029	0.6
69.03429	0.9
70.06583	1.0
71.05000	0.5
72.08147	1.9
73.02941	0.6
79.05488	1.3
80.05028	0.7
80.94944	1.0
81.03394	1.2
81.07042	1.0
82.06573	2.5
83.04980	0.6
83.57440	0.5
84.08136	100.0
85.02883	0.6
91.05476	1.4
93.07029	1.0
94.06560	0.7
95.04915	0.8
95.08563	0.5
95.27783	0.5
96.08122	3.0
97.02922	0.5
98.09725	0.5
99.04439	0.6
103.05466	0.7
105.07021	1.8
105.28193	0.5
109.05283	0.8
109.06507	0.6
110.09682	1.4
111.04496	1.0
112.11247	0.8
119.08571	0.9
120.08122	0.6
121.97561	2.8
123.08002	0.8
126.54001	0.5
131.59041	0.5
133.06508	0.9
138.12752	2.1
139.03954	0.7
140.00183	0.5
143.03514	0.5
147.07980	0.6
161.06020	0.8
161.09602	0.8
164.14337	1.0
165.96545	0.7
166.05183	0.8
183.97624	0.5
189.09178	0.7
206.99213	2.3
207.06476	1.8
207.11464	1.0
207.18562	22.6
208.05913	0.6
208.84158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0968
Annotation	3-(3-Indolyl)propane-1,2,3-triol
Peak:m/z	Relative Intensity
55.05492	3.7
56.96560	4.1
59.85643	3.1
60.04503	10.9
61.22352	3.0
67.05471	3.4
75.86044	3.1
79.05485	10.4
81.07038	6.2
82.06558	6.5
89.69175	3.6
91.05464	15.0
93.07040	6.0
100.91690	3.3
103.05467	6.0
105.07038	5.0
106.06555	9.5
106.07285	5.1
107.04955	13.1
109.02856	3.7
115.05440	4.5
117.07026	12.8
118.06528	6.6
119.08570	5.6
120.08106	11.8
121.10172	6.6
122.06036	3.8
130.06494	29.7
131.04947	5.5
137.61694	4.1
143.07338	4.8
144.08018	27.2
144.09029	3.4
145.08917	4.6
146.06012	16.2
148.07579	15.0
154.06519	46.9
162.10051	9.4
162.12672	4.9
163.06279	8.5
164.07114	10.2
172.07552	39.2
178.95265	3.9
190.08600	100.0
192.38623	3.6
208.06111	3.9
208.09677	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	208.0968
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
50.60006	1.0
50.79624	1.1
53.31907	1.2
54.82115	0.9
56.96558	1.3
57.61238	1.0
58.24286	1.0
60.04516	70.3
61.55902	1.0
62.11530	1.0
79.05489	22.1
91.71076	2.7
95.04978	1.9
103.05475	9.9
105.07024	2.2
106.05806	1.4
106.06551	51.4
107.04945	100.0
109.06512	3.0
109.88374	1.3
121.06494	5.1
131.04918	37.7
148.07561	26.7
149.05991	5.7
149.09566	2.7
166.08617	1.4
167.04857	2.2
185.11237	1.3
190.08640	4.1
221.31281	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0968
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
50.41614	0.7
56.96552	0.7
57.06831	0.7
57.96188	0.8
58.87463	0.7
60.04515	71.1
66.03165	0.8
69.07038	0.7
69.72969	0.7
79.05482	21.3
81.07046	1.7
84.43976	0.7
95.04964	2.4
98.97614	1.3
99.96473	0.7
103.05447	9.2
105.07011	2.5
106.06543	52.2
107.04942	100.0
108.04549	0.9
131.04919	40.0
140.00192	1.0
144.03236	1.1
148.07553	26.8
149.05928	5.1
154.43056	1.0
162.09091	1.0
166.08665	1.2
167.04814	2.1
182.40762	0.9
189.72678	0.9
190.08562	4.8
208.09599	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.1332
Annotation	1-Methyl-corypalline
Peak:m/z	Relative Intensity
51.40361	1.4
58.06597	14.6
59.07369	6.7
60.08152	28.9
79.05473	17.5
103.05454	70.9
107.04256	3.2
107.04942	37.1
121.06520	2.3
131.04919	54.7
148.73598	1.8
149.05948	9.7
187.27908	2.1
190.08531	3.2
208.13307	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	3,4-Dimethoxy-trans-cinnamic acid
Peak:m/z	Relative Intensity
53.69905	1.0
54.25073	0.9
55.01870	19.1
57.03437	1.1
57.07064	11.3
65.03931	1.4
66.29114	1.1
69.54181	1.3
73.78467	1.2
79.05494	3.6
81.03381	1.5
88.00031	1.2
89.03902	3.3
91.05470	13.5
92.06246	1.7
93.07014	4.2
95.04942	7.0
102.04644	2.9
103.05465	19.7
105.03397	5.0
105.07028	5.3
106.04157	3.9
107.04954	5.6
107.08570	1.9
109.02856	1.8
109.06506	3.4
117.03432	1.9
118.04166	6.1
119.04954	5.3
119.08672	1.3
120.05721	5.3
121.06501	8.9
121.10168	1.7
123.04408	2.5
123.76111	1.3
123.97428	1.5
130.04160	4.7
131.04932	10.7
132.05690	2.2
133.02831	8.5
133.06531	3.3
134.03647	6.2
135.04407	5.0
135.08038	2.8
145.10101	3.3
146.03584	2.2
147.04411	4.5
148.05168	30.4
149.05965	30.4
149.09637	1.6
160.14583	1.5
162.03070	1.5
163.03902	2.3
163.07526	100.0
163.11180	4.8
176.04645	7.0
177.05453	20.1
178.06313	1.4
191.06999	31.2
191.10690	4.9
199.65678	1.3
209.08057	10.6
209.11557	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	209.0808
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03946	3.6
53.09579	2.5
55.01875	12.5
56.96545	4.3
57.07064	17.2
65.03945	15.2
67.05514	8.7
75.04486	8.1
75.23275	2.9
75.26163	3.3
75.29417	3.1
78.04704	20.1
79.05496	15.4
81.03437	4.0
81.07045	6.5
85.02925	10.6
89.03890	9.0
91.05473	66.8
91.71584	5.0
93.03403	31.0
93.07025	20.7
93.94387	3.6
95.04964	42.9
97.06569	11.9
100.28133	3.2
103.05451	18.8
105.03398	5.9
105.07071	5.6
106.04169	100.0
107.05003	9.3
107.08604	4.2
109.06535	6.0
111.04452	4.0
117.03407	4.3
118.06555	4.5
119.47417	3.6
121.06502	91.0
123.08102	4.1
123.97469	4.3
125.05963	24.0
131.04947	10.1
134.03677	11.2
135.04411	6.3
135.11777	3.4
137.05943	16.9
139.07578	4.7
148.05237	7.5
149.05965	98.3
151.07556	5.1
153.05577	3.9
153.09056	17.9
163.03835	4.5
163.07562	7.3
163.11195	10.3
177.05402	30.7
181.08679	15.5
183.26312	3.9
191.07037	4.1
191.10783	8.7
209.08195	13.4
209.11696	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	209.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	3.2
53.03931	4.7
55.01856	11.8
56.96554	6.1
57.07065	29.3
65.03944	14.0
67.05489	14.1
68.48772	2.3
71.04971	3.2
75.04475	11.2
78.04707	19.0
79.05480	18.2
81.03394	4.7
81.07056	17.0
83.04961	4.5
85.02887	15.2
85.06532	11.0
89.03912	6.8
89.06010	3.9
91.05468	65.6
91.06038	3.5
91.71674	4.6
93.03389	28.7
93.07034	30.0
94.04162	2.9
95.04961	59.6
97.06524	16.7
103.05458	23.0
105.03365	3.5
105.04514	4.9
105.07041	13.8
106.04166	100.0
107.04981	18.1
107.08591	12.3
109.02835	3.7
109.06525	13.3
111.04411	3.2
113.06015	3.5
117.03397	4.3
117.07020	4.7
118.04202	3.6
118.06580	4.3
119.04951	4.6
119.08557	3.6
120.05802	3.1
121.06495	90.4
121.10124	14.2
123.04453	8.5
123.97489	6.5
124.05184	4.2
125.05940	21.2
130.07765	3.1
131.04938	5.8
131.08595	4.9
132.05704	2.9
134.03638	12.6
135.04431	12.9
135.08060	6.3
135.11703	6.9
137.05948	18.7
138.06816	3.2
139.07561	6.5
144.05711	2.8
145.10146	8.2
148.05215	11.1
149.05972	97.9
149.09599	5.9
151.07541	11.3
151.11140	3.2
153.05476	8.6
153.09100	19.7
163.07571	5.8
163.11151	22.0
166.06285	4.8
167.96344	3.7
168.48114	2.6
177.05481	33.8
181.08589	19.5
185.97568	3.8
191.07056	3.1
191.10651	21.0
203.85597	2.8
208.99068	11.2
209.08046	13.6
209.11687	10.2
227.62581	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	209.117
Annotation	Vibralactone
Peak:m/z	Relative Intensity
50.88295	1.2
52.73418	1.1
53.00298	1.4
55.01870	1.1
55.05494	1.6
57.07067	100.0
57.21898	1.2
62.36828	1.2
62.68052	1.1
67.05476	2.0
69.03422	1.3
69.07047	1.5
79.05482	30.9
81.07031	2.8
83.04974	3.9
84.76250	1.4
85.06518	1.4
91.05463	5.4
93.07036	11.6
95.04957	8.6
95.08591	2.4
99.04402	1.2
100.67857	1.6
103.05524	1.4
105.07020	9.0
107.04944	31.2
107.08596	12.2
109.06510	6.7
111.29896	1.2
119.08578	10.5
121.06521	3.4
121.10145	20.6
123.04430	1.8
125.05972	3.3
128.28772	1.6
130.07730	1.4
133.10120	3.4
135.04407	52.2
135.08047	2.1
135.11710	12.4
141.81694	1.4
145.10133	9.5
148.21324	1.4
149.09592	3.8
153.05493	4.6
153.09047	2.4
161.36617	1.6
163.11169	38.7
176.07024	2.4
177.40457	1.4
191.10655	48.2
209.11674	11.2
209.15448	1.9
216.41122	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	209.1172
Annotation	Vibralactone
Peak:m/z	Relative Intensity
52.43226	2.5
54.49070	2.3
55.01843	4.2
55.05497	5.8
56.96550	8.6
57.07066	100.0
59.32835	2.7
65.03920	3.8
67.05484	14.3
67.05797	2.8
67.92491	7.7
69.03407	7.6
69.07039	12.9
71.04972	8.0
76.78432	2.9
79.05479	31.9
81.03384	7.5
81.07050	22.8
82.94848	5.9
83.04965	13.5
83.08598	2.9
85.06528	4.3
91.05470	19.2
93.07024	21.2
95.04958	32.4
95.08601	14.5
99.04469	3.5
105.07026	14.4
107.04954	28.7
107.08593	28.5
109.06507	16.7
109.10139	6.7
114.93468	3.1
117.07017	5.5
119.08566	15.2
121.06509	7.0
121.10127	37.8
123.04440	8.2
123.08066	4.8
123.11750	3.8
123.97476	15.6
125.05950	5.6
131.04926	3.8
131.08571	9.2
133.10098	8.2
135.04391	44.6
135.08034	3.8
135.11688	11.6
144.94865	3.0
145.10121	14.2
147.11696	4.6
149.09624	23.9
149.13225	4.6
153.05484	6.1
157.41673	3.4
163.03882	3.7
163.07544	6.0
163.11165	47.1
164.98534	3.3
165.09099	3.5
165.12683	23.8
167.96405	8.6
173.09535	3.5
185.97516	3.7
191.10657	46.7
191.14314	7.2
208.99030	20.0
209.04401	4.7
209.07941	3.8
209.11774	17.0
209.15269	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	209.1172
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
55.01862	7.6
56.96553	15.4
57.07067	100.0
67.05486	7.1
67.92480	8.1
68.61977	4.2
69.03381	5.2
75.19459	4.9
78.04691	9.9
79.05487	29.7
82.01567	4.2
85.02885	6.5
91.05476	29.1
93.03382	10.5
93.07053	16.6
93.73931	4.8
95.04963	19.5
97.06523	9.3
102.70367	5.2
103.05487	6.3
105.07005	10.7
106.04156	27.0
106.16438	5.7
107.04956	31.4
107.08575	30.0
119.08607	6.2
121.06457	27.4
121.10146	26.7
123.97514	8.1
125.06024	12.1
129.29866	4.7
134.03654	7.0
135.04398	45.5
135.08069	11.9
135.11662	9.0
145.10085	9.4
149.06033	32.8
149.09662	5.5
163.11169	38.1
167.04893	5.5
167.96414	7.7
177.05469	8.8
191.07086	6.2
191.10664	37.7
208.99083	13.2
209.11716	11.7
209.15375	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03940	2.5
54.35860	2.0
55.05494	2.3
57.06803	4.0
57.07066	58.1
65.75720	2.5
67.05493	6.1
69.03419	16.2
69.07053	6.0
79.05481	20.8
81.03401	16.6
81.07040	13.0
83.04975	5.5
91.05460	6.9
91.71637	4.0
92.21038	2.7
93.07040	8.5
95.04420	2.2
95.04971	9.7
95.08592	10.7
105.07027	11.6
107.04920	17.3
107.08617	20.1
109.06502	15.0
119.08575	6.5
121.06564	4.4
121.10130	24.9
123.07286	2.5
123.08064	14.9
123.11694	15.0
130.07793	2.8
135.04396	29.5
135.11703	9.2
145.10114	8.1
149.09598	13.8
149.13260	10.2
151.11180	6.9
163.11169	19.2
165.12727	100.0
191.10687	26.4
209.11842	5.8
209.15358	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.35344	4.9
50.84160	4.2
53.00317	5.3
55.05503	33.1
57.03427	11.7
57.07051	11.3
59.05004	11.1
63.06104	4.6
67.05493	25.0
67.83170	4.9
67.92518	5.2
69.03425	8.0
69.07065	55.7
70.06586	12.6
71.04983	35.9
75.23647	4.6
75.52893	5.8
79.05485	24.3
81.03379	6.1
81.07056	71.1
82.06561	9.6
83.04969	16.9
83.08620	18.1
84.08145	16.6
85.06527	6.8
87.04455	24.2
91.05471	24.5
93.07041	59.8
95.04979	23.4
95.08609	55.7
95.60298	5.0
97.06528	68.4
97.10160	6.8
99.08117	8.9
100.11266	21.7
105.07024	42.2
107.08580	69.3
109.06517	71.5
109.10146	54.9
111.04435	38.1
111.08078	11.9
112.97098	5.9
115.07558	100.0
115.08282	9.2
117.07078	6.2
119.08590	21.9
121.06521	10.6
121.10140	83.2
123.04416	6.1
123.08095	24.1
123.11707	40.3
123.97488	10.4
125.09655	16.1
129.10242	8.5
131.08487	9.8
133.10139	19.5
135.08096	17.7
135.11668	13.6
137.09634	27.1
137.13255	12.1
139.11203	25.2
147.11722	21.5
149.09656	40.5
151.11205	11.1
153.09070	7.2
155.67146	5.7
163.14790	9.0
165.12793	31.9
167.10686	16.2
173.13306	13.8
189.13374	6.7
191.14275	52.0
206.52686	5.9
208.99147	11.7
209.15216	86.7
218.05244	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05499	29.1
55.05711	4.1
56.96555	11.9
57.07066	10.8
59.04999	4.7
63.02593	4.9
67.05486	17.9
67.54446	4.4
69.03415	24.0
69.07064	28.3
71.05009	5.9
74.33893	4.5
79.05479	22.1
81.07044	18.5
83.04966	18.3
83.08626	5.3
85.06528	10.6
87.04457	5.1
91.05461	16.5
93.07028	26.3
95.04971	10.9
95.08600	22.0
97.06525	15.8
97.10143	11.4
99.08057	13.3
105.07023	11.3
107.08575	38.9
109.06520	16.3
109.10160	14.3
111.04431	5.9
111.08073	5.7
113.05974	6.8
114.24339	5.0
117.07045	6.5
119.08601	6.6
120.81840	6.9
121.06516	9.4
121.10101	28.9
123.08090	5.2
123.11694	6.4
123.97437	5.8
125.06021	5.4
125.08702	7.9
125.09617	100.0
128.21786	4.9
131.08571	7.8
133.10110	12.4
135.04491	5.2
135.08067	15.1
137.05983	5.9
137.09621	6.2
138.41490	5.1
149.05960	5.4
149.09604	72.8
149.13208	13.9
151.11156	36.2
153.09125	13.1
163.14819	13.8
167.06981	6.8
169.26375	5.5
173.13359	11.2
191.10732	8.5
191.14297	33.4
208.99057	7.6
209.08102	50.5
209.15315	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	6.0
55.01861	13.1
55.05495	26.4
56.96543	7.1
57.03419	7.4
57.07057	11.5
67.05489	23.8
67.92458	9.1
69.07043	21.5
71.04973	11.2
76.10563	5.4
79.05480	34.6
81.07037	12.7
82.94838	10.4
83.01334	60.6
83.04951	20.1
83.08612	10.3
85.06510	10.2
91.05468	73.0
93.07047	31.9
95.04958	26.2
95.08604	13.9
97.06528	34.6
99.04471	9.0
99.08075	35.4
101.06010	9.0
105.07034	18.0
107.04959	46.9
107.08581	33.8
109.06520	7.4
109.10143	18.0
111.04419	9.6
111.08043	15.8
111.80956	6.1
115.05411	11.3
117.07013	54.1
119.04921	17.0
119.08586	23.3
121.06517	12.9
121.10101	16.1
123.97428	15.7
125.09611	33.1
125.83714	6.3
132.09784	6.5
133.10132	24.5
135.04401	15.5
135.08043	38.0
135.11685	11.7
137.09576	11.3
139.07556	29.1
139.11169	21.0
142.25516	5.9
145.06490	22.4
145.10098	9.0
147.08087	7.7
149.05846	6.2
149.09619	28.3
149.13240	7.9
151.07603	6.4
151.11168	10.8
153.09128	13.6
163.03891	8.1
163.07518	49.3
163.11104	11.8
173.09639	7.3
173.13293	10.0
181.15916	11.6
191.07068	67.4
191.10677	29.2
191.14325	28.1
208.99069	21.8
209.04485	12.4
209.08084	22.3
209.11638	10.5
209.15332	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.27288	4.6
50.31146	4.7
50.60081	5.0
55.05494	27.6
56.96561	5.8
57.03428	11.8
64.79230	4.6
65.91280	5.8
67.05502	12.6
69.03418	8.9
69.07060	100.0
69.46317	5.2
71.01318	7.6
71.04974	8.8
77.45583	5.1
79.05483	11.3
81.07040	21.4
83.04975	16.1
83.08604	16.7
84.08154	7.7
91.05468	10.9
93.07054	28.3
95.08607	19.4
97.06521	14.7
105.07034	17.4
107.08597	45.2
109.06496	10.6
109.10160	16.8
111.08088	12.7
113.09657	9.8
115.40556	5.8
119.08636	6.8
120.79882	6.2
121.06523	8.3
121.10169	35.1
122.28305	5.9
123.04459	8.4
123.08050	10.5
123.11722	15.3
125.09630	9.3
129.90300	5.8
131.08556	6.3
133.10106	20.9
135.08104	7.5
135.11697	27.4
137.09608	10.4
139.07561	8.0
139.11227	9.8
149.09613	18.4
149.13260	7.8
151.11200	23.5
153.09132	10.4
161.97536	6.1
163.03993	5.7
163.14821	18.1
168.76158	5.7
173.13277	14.4
191.14323	22.6
209.15376	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.79019	4.8
53.00317	5.5
53.03933	4.8
53.28596	4.0
55.01855	6.6
55.05260	5.8
55.05506	88.4
56.96550	9.9
57.03423	6.5
57.07055	8.6
65.03936	4.8
67.05492	45.3
69.03411	18.1
69.07056	74.6
70.06573	5.6
71.04975	18.2
79.05479	23.9
81.07038	43.4
83.01344	6.6
83.04971	54.4
83.08603	15.5
85.06550	9.1
91.05475	31.0
93.07036	50.0
95.04967	26.1
95.08592	52.7
97.06496	11.9
97.10155	21.7
99.04458	8.7
99.08066	9.7
99.92218	4.9
100.94852	4.5
105.07028	35.7
107.04951	5.2
107.08582	100.0
109.06541	19.2
109.10157	38.7
111.08099	12.6
119.08598	22.3
121.06538	11.9
121.10132	81.1
123.08060	10.9
123.11669	14.6
125.09601	26.2
131.08528	24.9
133.06471	5.8
133.10138	26.6
135.08018	15.0
135.11659	47.3
137.09595	69.7
137.13266	7.9
139.11156	8.7
141.63930	5.8
145.10133	9.7
147.11716	15.6
149.09647	21.8
149.13222	28.3
151.11127	12.7
153.09106	10.2
163.03906	9.8
163.14824	19.8
165.12827	7.4
173.13272	39.5
191.14250	36.9
196.37653	4.9
202.28606	5.8
208.99103	9.6
209.04449	8.0
209.15317	43.9
226.86928	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05492	1.1
56.96564	0.4
57.07068	4.3
59.04964	0.6
60.04511	0.5
62.63086	0.5
65.03925	0.7
67.05495	3.9
69.03414	1.0
69.07070	2.3
71.04984	4.0
79.05473	2.7
81.07039	5.4
83.04964	0.8
83.08586	0.8
85.06537	0.9
91.05475	3.9
91.71586	0.6
93.07040	3.5
95.04957	3.3
95.08591	4.6
97.06510	0.9
97.23308	0.5
105.07023	3.6
107.05042	0.7
107.08588	6.4
109.06510	100.0
109.10153	12.0
111.08076	1.8
113.09595	0.8
115.05425	0.9
117.07024	1.6
119.08568	1.4
121.06484	0.9
121.10155	2.1
123.08054	8.4
123.97435	0.5
127.13923	0.5
131.08569	5.0
133.10161	2.6
135.08044	23.4
139.11162	0.9
147.11687	1.5
149.09566	2.9
149.13220	1.1
150.10385	1.4
151.11192	2.2
153.09081	3.2
158.10915	1.0
161.09637	0.8
173.13245	5.5
176.12012	1.1
177.18663	0.6
177.27211	0.5
191.14294	19.9
209.15366	6.7
222.11214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1124
Annotation	Tyr-OEt
Peak:m/z	Relative Intensity
53.17496	0.9
56.96558	10.4
58.06578	4.5
65.03923	1.6
69.03414	1.2
79.05496	1.6
81.03435	2.0
89.49815	1.1
91.05473	19.8
94.04182	2.3
95.04960	5.6
107.01630	1.1
107.04946	27.7
108.05272	2.9
119.04943	10.2
121.06451	2.1
137.05980	2.0
147.04379	9.6
151.07544	4.9
164.10713	4.6
165.05455	100.0
192.10197	12.1
210.11226	32.0
225.01901	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50231	0.6
56.43211	0.6
63.05497	0.6
65.03915	1.9
78.27165	0.7
81.31623	0.6
91.05470	37.2
95.04965	6.6
102.29958	0.6
119.04939	24.5
132.08086	0.8
136.05176	4.2
136.07484	0.7
137.05962	2.1
147.68033	0.7
151.07530	100.0
157.64438	0.7
160.07605	1.3
169.12112	0.8
210.00893	1.1
210.11258	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	210.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	1.4
58.77290	0.8
61.08841	0.6
61.73843	0.7
63.34246	0.7
65.03945	3.7
67.14204	0.7
78.48769	0.7
87.94806	0.7
89.65144	0.7
91.05472	42.2
92.05811	1.0
92.63277	0.8
95.04944	6.6
99.73759	0.8
102.70956	0.8
111.04461	3.8
115.80981	0.7
118.07338	0.9
119.04935	24.3
123.08102	1.4
125.06001	1.0
132.08092	1.2
134.06036	0.9
136.05182	5.2
136.07591	1.0
137.06039	2.6
151.07533	100.0
160.07590	1.9
192.07330	1.0
203.52797	0.8
209.98260	0.8
210.11206	5.5
232.47495	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67205	61.9
60.00973	64.4
73.17205	60.3
86.60637	65.9
125.74030	76.0
156.65796	70.1
157.31865	75.3
166.38048	76.0
181.10550	81.6
181.35739	81.5
210.94145	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
55.01863	25.8
55.44160	10.0
59.64223	10.0
59.83940	8.8
65.53850	13.0
78.04700	13.2
81.77110	11.7
91.05471	100.0
93.07014	19.6
95.04967	32.2
95.08604	14.9
103.05460	24.2
105.07002	25.8
107.04954	22.1
107.08590	17.2
109.06532	19.9
109.10164	15.8
111.54938	14.7
119.04944	53.4
119.08589	33.8
121.06479	50.9
121.10133	18.7
123.04395	16.2
123.08056	23.6
125.06046	19.6
133.06487	41.5
134.03578	16.5
149.05963	33.7
151.07542	63.5
152.07898	31.4
161.05965	16.1
165.09084	66.6
167.07034	90.9
181.08626	21.1
193.08751	21.6
193.12144	15.0
211.09659	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	211.0964
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
50.00822	3.1
50.78622	2.1
55.05502	3.3
58.36668	2.9
65.03919	4.5
67.05478	23.2
69.03406	13.1
69.07059	3.3
69.61875	2.8
79.05480	6.6
81.07026	7.1
82.90852	3.7
83.04973	3.5
91.04920	6.4
91.05469	100.0
91.43169	2.9
93.07030	21.0
94.38779	3.3
95.04959	18.1
95.08602	21.0
95.13961	3.9
95.57899	3.5
96.05730	3.6
97.02879	82.9
97.06535	21.0
99.04449	6.9
100.94882	3.2
103.05457	3.2
105.07021	16.5
107.08585	4.5
108.73253	3.5
109.06534	4.7
109.10151	40.3
117.06996	8.4
119.08562	94.9
121.10138	8.3
129.07004	4.7
137.09633	10.1
139.77440	3.3
147.08037	53.8
165.09094	25.2
170.08096	4.1
175.07512	20.4
193.08577	18.2
211.06012	3.5
233.55380	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	211.0964
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
50.58220	1.3
50.61816	1.4
51.62778	1.4
52.19044	1.3
55.01843	1.3
57.07064	2.9
57.44252	1.6
59.80776	1.3
61.87733	1.6
65.49149	1.4
67.05489	17.2
67.61089	1.4
69.03420	16.9
71.04987	2.5
75.94025	1.5
79.05488	5.2
79.94956	1.5
81.07047	4.0
82.42382	1.4
83.04959	1.9
85.52391	1.6
91.05470	97.3
93.07034	15.8
95.04957	26.4
95.08601	16.2
96.05734	3.9
97.02884	100.0
97.06524	21.7
99.04452	6.4
103.05434	2.9
103.24484	1.9
104.06274	2.6
105.07026	13.7
107.04992	1.7
107.08588	1.7
109.06529	4.3
109.10146	50.4
116.06210	2.3
117.07004	9.6
119.08571	90.1
121.06494	2.1
121.10140	7.3
129.06998	6.0
131.08551	3.5
133.06433	2.8
137.09610	13.6
147.08028	56.4
150.78903	1.7
151.46786	1.5
165.09105	31.5
175.07523	23.2
193.08583	21.0
222.28439	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	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
51.87638	1.3
55.05507	12.3
56.45742	1.4
56.96552	2.0
57.07070	9.2
59.04995	1.9
67.05499	31.1
69.03418	8.4
69.07054	17.5
71.04988	5.2
79.05482	5.1
81.07046	29.2
83.04977	14.1
83.08588	10.2
85.06537	4.6
91.05471	6.3
93.07024	13.9
95.04946	4.0
95.08596	45.6
97.06520	4.0
99.08088	2.3
105.07030	8.0
107.08597	25.6
109.06516	10.7
109.10150	100.0
109.22112	1.6
111.08088	2.5
113.09660	2.2
119.08569	21.2
121.10126	10.3
123.08052	16.6
123.11711	7.8
124.37492	2.0
132.00798	1.9
133.10109	20.7
135.11682	61.0
136.04623	2.1
137.09613	15.1
142.44281	1.9
149.13235	4.1
151.11192	10.3
151.14818	10.0
153.12689	2.2
156.60637	1.8
165.16414	3.6
175.14819	19.1
193.15878	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	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
52.33590	3.1
55.05510	23.8
56.96548	13.0
57.03418	4.9
57.07056	6.4
59.04974	8.0
67.05492	35.1
69.03415	24.7
69.07053	23.6
70.06573	4.0
71.04982	12.5
79.05486	12.1
81.03398	4.9
81.07044	57.7
83.04967	20.8
83.08601	6.4
85.06534	10.7
86.06087	4.2
91.05475	13.1
93.07035	29.9
95.04958	10.2
95.08601	52.0
99.08081	18.0
105.07027	20.1
107.08594	44.3
109.06517	11.9
109.10150	100.0
109.99413	3.7
111.08071	11.5
112.51611	5.1
119.08539	31.2
121.10159	24.9
123.08059	14.1
123.11700	35.3
125.09630	28.0
133.10107	46.7
135.11674	58.4
137.09645	19.3
151.11166	14.8
151.14838	8.8
155.10661	6.0
163.14848	5.2
165.16351	12.9
175.14815	44.2
193.15865	61.2
207.42278	4.2
211.16910	37.3
220.00885	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	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.67834	4.8
53.03948	6.6
55.01872	7.8
55.05505	31.2
56.96569	14.9
57.03436	8.5
57.07077	9.9
59.04995	6.4
67.05499	49.2
69.03434	24.4
69.07056	41.7
71.04988	19.2
71.27526	5.8
74.01611	5.4
79.05499	13.2
81.03439	10.5
81.07050	44.4
83.04955	38.1
83.08627	9.2
85.02937	6.1
85.06562	18.0
85.46151	5.7
86.09695	19.3
91.05474	17.1
93.07030	45.8
95.04981	17.0
95.08595	51.4
97.02898	7.8
97.06543	7.8
97.99148	5.7
99.08109	21.8
101.05988	8.1
105.07017	30.9
107.08573	56.4
109.06535	8.6
109.10149	100.0
109.10844	6.2
111.08085	12.4
113.09637	6.6
119.08601	46.3
121.09343	5.6
121.10122	36.3
123.08098	18.2
123.11748	24.2
125.09622	37.1
133.10130	47.6
135.11696	80.6
136.06230	25.3
137.09666	20.1
139.11230	6.0
147.11766	6.7
151.11142	17.6
155.10841	6.9
163.14859	6.9
165.16434	9.5
175.14799	49.3
186.90779	5.8
193.15874	44.4
211.16907	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03920	2.8
55.05506	26.9
56.96542	5.8
57.03423	5.5
57.07060	10.3
57.27197	2.4
59.04990	5.7
67.05498	43.7
69.03418	22.7
69.07058	25.1
69.77648	2.9
71.04982	9.0
79.05482	14.2
80.27561	3.3
81.03468	2.8
81.07040	38.6
83.04971	30.4
83.08624	9.4
85.06537	11.9
91.05469	15.5
93.07032	47.2
95.04951	11.0
95.08591	57.5
97.06511	4.3
99.04388	3.1
99.08089	19.7
101.05990	6.3
105.07024	26.6
107.08575	46.8
109.02821	3.3
109.06496	15.4
109.07185	3.2
109.10143	100.0
111.08095	4.5
113.09602	4.6
115.46297	3.1
119.08573	56.8
121.10142	45.8
123.08083	15.9
123.11694	29.8
125.09618	40.1
127.11213	3.2
133.10109	54.9
135.11676	76.7
137.09607	18.7
137.13243	5.5
139.11182	5.4
144.43141	3.3
147.08022	5.5
147.11697	4.7
149.13246	11.3
151.11176	16.5
151.14832	6.0
151.65904	3.0
155.10692	3.4
163.14847	14.2
165.09093	5.6
165.16402	13.1
170.08127	3.6
175.07660	3.4
175.14806	46.1
193.08630	10.3
193.15872	40.8
205.46735	3.5
211.16911	20.1
212.67853	3.6
225.62947	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	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.8
55.05506	26.9
56.96542	5.8
57.03423	5.5
57.07060	10.3
57.27197	2.4
59.04990	5.7
67.05498	43.7
69.03418	22.7
69.07058	25.1
69.77648	2.9
71.04982	9.0
79.05482	14.2
80.27561	3.3
81.03468	2.8
81.07040	38.6
83.04971	30.4
83.08624	9.4
85.06537	11.9
91.05469	15.5
93.07032	47.2
95.04951	11.0
95.08591	57.5
97.06511	4.3
99.04388	3.1
99.08089	19.7
101.05990	6.3
105.07024	26.6
107.08575	46.8
109.02821	3.3
109.06496	15.4
109.07185	3.2
109.10143	100.0
111.08095	4.5
113.09602	4.6
115.46297	3.1
119.08573	56.8
121.10142	45.8
123.08083	15.9
123.11694	29.8
125.09618	40.1
127.11213	3.2
133.10109	54.9
135.11676	76.7
137.09607	18.7
137.13243	5.5
139.11182	5.4
144.43141	3.3
147.08022	5.5
147.11697	4.7
149.13246	11.3
151.11176	16.5
151.14832	6.0
151.65904	3.0
155.10692	3.4
163.14847	14.2
165.09093	5.6
165.16402	13.1
170.08127	3.6
175.07660	3.4
175.14806	46.1
193.08630	10.3
193.15872	40.8
205.46735	3.5
211.16911	20.1
212.67853	3.6
225.62947	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	212.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.5
56.96559	3.6
57.03435	3.6
60.95831	3.0
61.91244	3.0
69.03411	8.9
71.05009	12.6
76.72972	2.9
81.03409	100.0
81.03864	5.1
83.04993	5.2
83.06107	4.8
83.08089	3.4
85.02905	16.8
87.04451	4.4
89.35554	3.1
97.02903	6.8
99.04459	8.2
109.02873	96.8
111.04469	3.6
111.09189	5.1
117.17159	3.6
125.59789	3.4
127.03893	18.0
142.35057	3.5
149.06039	4.6
166.08649	5.3
181.95151	4.0
195.08682	11.8
198.15068	3.4
212.09207	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	213.0757
Annotation	3,4,5-TRIMETHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
58.09879	1.2
59.59768	1.1
67.05478	1.9
74.25715	1.5
75.53702	1.1
78.04700	3.5
79.05484	7.8
81.07058	1.6
83.04992	1.4
91.05473	4.5
93.07017	2.2
95.04961	3.3
105.07034	3.9
107.04946	17.4
107.08634	1.6
121.06467	1.5
121.10089	2.2
123.04394	7.0
124.05200	2.2
131.08519	3.2
137.06068	1.4
149.09641	1.9
149.32901	1.5
151.03848	1.6
152.04689	3.0
167.07024	100.0
177.09187	2.8
181.04945	4.0
185.07245	1.5
195.10118	3.6
215.41856	1.5
226.18311	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	213.0757
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03939	2.8
53.10487	2.0
53.58023	2.2
56.96552	7.1
60.68551	2.0
61.02915	9.6
65.03931	10.0
66.01082	2.2
67.05497	6.3
67.25789	2.2
69.03420	3.6
69.68877	2.2
70.06583	4.0
73.02875	3.1
79.05486	20.7
79.84071	2.4
81.03416	2.9
91.05470	5.5
93.03396	3.3
95.04953	10.5
97.02888	3.6
98.97556	3.2
105.07038	3.5
107.04948	32.1
109.02844	4.6
110.03670	27.4
111.04427	14.4
118.78384	2.4
121.06501	14.0
122.03616	7.1
125.05984	71.4
125.06919	4.6
126.05479	3.9
133.02835	14.0
134.06082	3.6
135.04414	29.7
137.06006	6.2
139.03926	2.8
140.00163	3.3
141.05470	4.8
149.06004	26.6
150.03123	11.1
151.03900	100.0
151.04955	5.6
153.05453	14.2
153.68076	2.7
160.13872	3.3
163.03893	8.1
165.05472	36.1
167.07028	17.5
177.05432	21.3
195.06450	13.6
206.08192	4.3
213.07562	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	213.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09879	1.2
59.59768	1.1
67.05478	1.9
74.25715	1.5
75.53702	1.1
78.04700	3.5
79.05484	7.8
81.07058	1.6
83.04992	1.4
91.05473	4.5
93.07017	2.2
95.04961	3.3
105.07034	3.9
107.04946	17.4
107.08634	1.6
121.06467	1.5
121.10089	2.2
123.04394	7.0
124.05200	2.2
131.08519	3.2
137.06068	1.4
149.09641	1.9
149.32901	1.5
151.03848	1.6
152.04689	3.0
167.07024	100.0
177.09187	2.8
181.04945	4.0
185.07245	1.5
195.10118	3.6
215.41856	1.5
226.18311	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	213.1121
Annotation	Melazolide A
Peak:m/z	Relative Intensity
51.44587	3.4
67.05483	19.8
69.03392	5.6
77.03918	3.8
79.05492	49.0
81.03407	28.4
81.07052	13.5
85.02856	5.7
91.05473	81.0
93.07033	70.9
95.04975	10.5
95.08586	4.7
97.02924	5.5
103.05410	4.3
105.07020	36.2
107.04946	12.0
107.08607	10.6
115.05495	4.7
116.06232	11.8
117.07010	18.1
119.08578	10.4
121.10136	35.5
123.98150	5.4
129.07010	13.2
131.08565	100.0
133.06355	6.2
133.10091	6.0
135.08113	8.1
137.06015	9.0
147.08028	6.5
149.09607	37.5
159.08029	27.7
177.09081	50.0
185.44753	4.4
195.10129	31.7
213.11288	18.6
215.58554	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	213.1121
Annotation	Melazolide A
Peak:m/z	Relative Intensity
52.22580	3.8
56.96568	5.6
57.93184	4.2
62.18830	4.5
65.89101	3.8
67.05497	10.2
67.26587	4.4
79.05498	20.6
81.03413	7.1
81.07076	9.6
85.21561	4.6
91.05466	60.5
93.07030	29.7
95.04970	7.4
95.71936	5.5
98.81441	4.4
105.07017	100.0
105.63317	4.5
107.08608	8.8
115.05502	7.5
117.07028	11.2
119.08578	23.4
121.10160	9.9
129.06955	8.6
131.08546	81.4
133.10164	4.8
135.08090	9.6
139.84447	6.0
147.08060	18.2
149.09653	19.8
159.08096	18.5
165.09161	8.8
177.09088	25.4
195.10121	71.1
196.91270	5.0
199.39742	4.5
213.11351	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	213.1121
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
55.01858	3.4
55.05513	3.4
56.96548	8.3
59.05035	2.4
67.05492	4.1
69.07063	12.3
74.90921	3.3
77.56338	3.2
78.04673	5.9
79.05473	9.1
81.07025	3.5
83.08611	5.2
91.05460	7.3
93.07045	5.9
94.32789	3.2
95.04984	4.6
95.08611	3.7
95.88236	2.9
98.97574	5.5
103.05460	27.3
105.07012	21.7
107.04975	18.2
116.90501	3.4
116.98605	6.2
120.05728	5.2
120.25101	3.1
123.04436	8.0
125.05970	3.4
135.08046	44.6
137.05949	6.0
140.00142	6.9
163.07574	19.2
167.07025	100.0
177.09106	4.1
181.02985	3.5
185.07126	21.7
188.07410	3.1
195.10219	19.9
200.02437	4.5
212.65298	4.1
213.06592	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	213.1272
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
51.74300	4.6
54.29221	5.2
57.36721	6.5
73.55539	6.1
81.07079	6.9
87.78938	5.5
91.05444	9.4
93.07061	8.4
105.07072	20.7
106.60973	5.9
119.08630	9.6
121.99974	8.1
128.06247	15.8
129.06993	11.4
132.49579	6.8
142.07767	20.4
143.08522	42.8
155.08644	8.9
157.10194	26.1
165.06999	53.5
170.10921	8.3
171.08112	16.7
171.11781	9.4
176.06073	7.4
179.08716	12.7
180.09317	53.4
185.13338	20.3
195.11678	93.7
198.10411	8.8
198.31487	6.6
202.03879	7.5
213.12755	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1273
Annotation	Spiniferin 1
Peak:m/z	Relative Intensity
51.62104	2.4
54.54482	2.9
55.59974	2.5
67.05510	3.1
69.50083	3.2
75.18556	3.2
79.05501	4.4
81.07069	6.7
87.89880	2.9
91.05469	18.5
91.71136	3.4
94.20679	3.7
111.10991	3.2
115.05463	9.2
127.21027	3.0
128.06203	10.5
128.87981	3.5
129.07053	4.9
131.93008	4.0
141.06970	19.1
142.07773	5.9
155.08563	7.1
170.07262	13.8
171.08118	3.9
172.95622	6.4
213.12732	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
55.01883	14.1
55.05519	27.9
56.96566	24.8
57.03431	19.2
65.46490	10.5
67.05509	37.8
69.03448	11.3
69.07059	100.0
78.30017	10.0
79.05518	22.3
81.07076	37.5
83.04998	37.5
84.04561	9.1
85.02907	10.9
85.06556	24.2
86.06067	15.6
88.07647	11.1
91.05514	16.2
93.07045	54.2
95.04959	14.2
95.08595	53.1
97.06541	16.9
98.06070	19.4
99.08126	9.1
107.08646	35.2
109.10189	20.8
111.04478	20.4
111.11761	20.8
119.08648	9.6
121.10125	77.3
121.10841	8.0
126.05565	36.9
127.07606	29.1
135.11723	57.5
139.11176	94.9
163.11203	18.5
168.06630	10.9
172.02812	14.0
177.12778	13.4
177.16451	14.2
180.09373	15.5
181.12303	16.6
195.13857	13.5
213.05388	50.5
213.08907	21.4
213.12730	16.5
224.73222	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	213.1848
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.01852	4.8
55.05507	13.2
56.96552	4.0
57.07055	2.6
61.82890	1.7
66.25408	1.7
67.05492	6.7
69.06717	3.0
69.07053	22.4
70.60915	2.1
71.04969	7.7
72.93792	2.3
74.34670	2.0
79.05483	4.8
81.07044	25.3
83.08620	12.1
85.06520	4.3
91.05467	6.0
93.07041	20.9
95.04972	2.2
95.08598	44.8
97.06481	2.3
97.10153	11.3
99.08078	37.7
105.07031	5.8
107.08599	36.1
109.10157	10.4
111.08082	17.0
113.09635	4.5
121.10138	63.2
125.09631	5.4
126.05440	1.9
135.11702	14.8
137.13251	9.9
139.11145	3.2
149.13261	6.9
153.25349	2.0
162.43164	2.5
177.16367	100.0
191.49446	2.0
195.17473	18.0
213.12720	5.0
213.18466	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	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.05503	16.9
56.96571	3.0
57.07067	4.7
67.05492	7.8
69.03431	4.0
69.07053	28.2
70.06583	3.3
71.04970	3.5
72.08144	6.2
79.05476	5.9
81.07051	29.6
83.08609	16.7
85.06570	4.8
86.09711	6.4
91.05469	5.5
93.07032	22.9
95.04937	2.4
95.08601	51.9
97.10171	18.7
98.06059	2.7
99.08080	24.5
105.07014	3.9
107.08587	49.3
107.09280	3.9
109.10168	11.5
111.08070	9.8
113.09657	4.7
121.10142	81.0
123.11815	1.9
125.09620	13.0
135.11690	16.1
137.13252	8.9
149.13281	5.4
172.22841	1.9
177.16370	100.0
195.17401	9.9
213.12595	2.8
213.18552	4.1
222.98805	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	215.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37744	2.0
58.06586	3.2
59.47215	2.0
70.06567	12.4
72.08146	100.0
72.89752	2.6
77.86492	2.1
80.66785	1.9
86.06021	2.9
110.42777	2.7
116.07051	2.8
120.35766	2.6
156.06491	2.6
188.46880	2.3
215.01608	13.6
215.13829	18.6
216.12375	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	215.143
Annotation	Dihydropyrocurzerenone
Peak:m/z	Relative Intensity
55.05515	7.0
56.96552	38.5
56.96767	2.8
57.07078	12.1
59.05022	4.0
62.38155	4.0
65.57249	3.0
67.05506	16.9
68.09395	3.3
71.12611	3.0
72.08150	7.5
73.10206	2.8
79.05483	5.0
81.03409	4.8
81.07068	12.2
91.05463	38.3
93.07063	14.6
95.04990	13.6
95.08614	7.1
95.34216	3.5
97.99236	4.1
102.34834	3.2
105.07063	14.1
107.08612	4.5
109.06521	5.6
109.10209	4.2
117.07068	10.6
119.08616	7.7
129.07048	11.9
131.08556	25.4
135.08115	4.7
137.09647	17.4
145.06543	12.2
145.10089	7.3
153.07056	5.0
155.08601	7.1
157.06505	4.7
157.10243	6.5
159.08112	16.7
159.11768	10.2
173.09668	6.3
177.70795	5.3
187.11285	16.4
201.77654	3.9
208.99008	3.6
215.14294	100.0
215.16394	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	215.1431
Annotation	7-Hydroxycadalene
Peak:m/z	Relative Intensity
57.07062	28.9
59.05003	7.3
61.93133	3.1
68.72275	2.9
72.08138	6.0
72.35748	3.3
81.07061	10.4
85.06549	4.0
89.48409	3.7
90.90389	7.2
91.05470	25.8
92.90063	6.9
93.07043	5.2
93.21054	3.4
95.08591	8.8
105.07033	24.5
109.06533	3.7
117.07017	4.7
119.04927	65.4
119.05651	4.7
126.25957	4.2
129.07005	6.8
131.08556	39.0
133.92703	6.7
137.09586	5.6
139.93761	4.4
145.10077	4.3
151.93794	4.7
155.08643	11.4
157.10124	7.4
159.08058	22.2
164.98660	3.9
172.95648	7.2
173.09637	6.2
174.95393	13.1
178.96561	3.5
189.83139	4.3
197.13307	4.1
215.14285	100.0
215.98267	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	215.1429
Annotation	Dehydrochromolaenin
Peak:m/z	Relative Intensity
51.93659	6.0
57.07056	21.6
67.05493	23.0
72.08131	18.9
80.37904	8.4
81.07032	9.9
90.90408	9.5
91.05473	100.0
92.90070	18.9
93.07029	13.1
95.04961	28.6
95.08572	8.9
105.07005	9.5
109.10124	7.4
112.26001	7.4
117.06974	9.4
119.04900	14.1
129.06982	17.0
131.08543	40.4
133.92673	8.1
137.09605	55.0
140.09985	8.4
145.10152	8.8
151.93709	14.4
155.08551	15.7
159.08029	10.9
172.95659	28.5
174.95345	38.4
187.11034	12.6
214.98581	10.5
215.06947	8.6
215.14305	88.9
215.98030	15.3
219.73929	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	215.143
Annotation	LMPR0103220001
Peak:m/z	Relative Intensity
57.07057	5.8
62.03311	3.5
67.05503	5.3
69.07062	9.3
72.08126	7.1
79.05479	6.6
80.44539	4.3
81.07090	4.3
91.05470	21.0
93.07036	7.8
98.00665	3.9
105.07026	15.8
107.08582	34.1
113.58664	4.6
115.38789	4.8
121.06495	36.7
131.08548	14.2
133.10175	5.5
135.08043	11.1
136.51921	5.2
141.11781	4.4
145.06503	4.8
145.10072	22.4
155.08629	8.0
157.10153	7.2
158.07268	10.6
159.08060	30.6
173.09615	50.0
185.09584	7.8
186.10406	15.2
187.11111	10.5
187.14867	14.4
197.13205	10.7
200.11943	10.7
214.25452	4.8
215.14287	100.0
226.10951	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1431
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
53.64866	4.3
55.45654	5.0
57.07058	7.1
57.89638	4.0
62.83187	4.3
69.07052	11.7
70.65689	4.6
72.08149	34.2
79.05476	8.5
81.07056	13.6
86.85604	4.7
91.05472	31.6
91.71726	11.8
95.04971	10.7
105.07033	19.1
107.08579	33.6
109.06516	10.5
114.13001	5.3
115.05457	8.3
117.07032	7.0
119.08561	12.8
121.06497	43.5
131.08557	10.4
133.10191	7.1
135.07977	7.2
141.06979	8.6
143.08572	8.2
145.10104	37.6
155.08598	11.7
156.09355	6.5
157.10178	6.2
158.07259	12.1
159.08058	45.4
159.11765	6.6
169.10123	5.7
172.08791	10.0
173.09572	63.0
185.09657	8.1
186.10446	10.1
187.14906	8.0
197.13292	16.7
198.23256	5.5
200.12016	14.2
215.14285	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1431
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
55.05505	22.2
57.07061	4.6
58.78518	2.9
59.04987	12.8
65.02185	3.3
67.05471	4.9
69.03413	4.4
70.56336	3.7
72.08115	5.7
83.04969	100.0
90.90399	4.4
91.05465	34.1
92.90083	4.3
93.07050	6.7
95.04941	4.6
95.08609	18.6
105.07030	30.7
113.81086	4.6
116.06224	6.3
117.07017	6.5
119.04904	10.9
119.08597	28.3
123.08064	11.9
129.06998	10.5
131.08530	30.7
135.08122	8.0
139.79520	3.8
141.06946	5.2
142.07785	9.9
145.10132	6.3
155.08540	12.0
156.09373	7.3
157.10114	9.1
159.08046	46.6
167.08554	17.4
169.10121	16.7
174.95422	10.3
182.10928	18.4
197.13286	13.1
215.14302	80.7
215.98097	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.123
Annotation	O-acryloyl-L-carnitine
Peak:m/z	Relative Intensity
63.20152	1.4
68.05026	1.8
69.03416	2.3
70.06580	27.6
70.28577	1.8
71.04977	20.1
71.60429	1.9
72.08134	7.6
73.02914	2.3
76.91185	1.6
81.03400	8.1
83.04959	5.1
84.04483	3.8
84.08137	6.9
100.07597	3.3
110.06038	4.8
111.04448	4.1
116.34120	2.0
126.09147	51.1
128.07022	3.7
129.05472	2.2
130.04965	2.1
140.73784	2.1
140.86569	2.3
142.17332	1.9
154.08618	7.3
174.31218	2.4
198.11230	64.7
216.12292	100.0
216.14067	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	216.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00006	3.6
51.71472	2.9
55.01850	3.8
55.05504	78.3
56.96543	4.3
57.03411	5.0
57.07074	24.4
59.04998	6.0
60.04499	4.1
60.17098	3.3
67.05498	24.8
69.03416	5.5
69.07060	65.2
70.06577	16.1
71.04982	19.7
71.08604	12.0
72.08139	10.6
79.05479	10.7
81.03410	9.0
81.07047	58.8
82.00301	3.2
82.06641	4.5
82.67779	3.8
82.70195	3.5
83.04970	23.4
83.08609	100.0
84.04480	6.0
84.08132	7.3
85.06535	8.2
85.10170	5.1
86.06078	7.7
86.09648	4.3
93.07042	21.7
95.08599	34.6
97.06544	22.7
97.10160	58.1
100.07613	12.3
101.06004	8.8
105.62381	3.7
107.08581	37.1
109.10162	10.3
111.04459	20.5
111.08087	19.1
114.09152	4.4
115.07591	4.6
121.10126	25.5
123.11701	10.9
125.09641	17.0
126.09157	20.9
128.10706	4.8
129.05470	12.5
130.04984	6.9
135.11665	10.7
138.86148	5.4
139.11168	6.1
144.02335	7.7
155.07060	25.4
162.03455	6.7
163.14809	80.8
173.08151	11.4
178.38377	6.0
181.15865	55.2
189.38254	4.5
198.11230	34.5
198.18465	20.2
216.12308	67.5
216.19629	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	217.0858
Annotation	CHEBI:70632
Peak:m/z	Relative Intensity
55.01855	10.9
55.05510	17.7
57.96822	2.5
67.05480	4.2
83.04968	35.7
89.06013	7.7
99.04390	3.3
100.07330	3.3
101.06017	16.4
111.04431	56.4
111.05193	3.9
127.07570	4.5
128.06238	19.8
129.05467	13.8
129.06996	46.1
129.60759	3.3
131.04959	7.9
131.08574	9.3
144.05688	18.9
145.06496	5.6
146.07243	6.4
155.07014	47.4
157.06468	15.8
158.07254	7.1
161.09511	3.5
171.08043	4.5
172.05176	21.8
173.05952	6.2
173.08063	41.2
174.06755	50.3
175.07590	3.6
187.07516	100.0
189.09085	55.2
199.07614	6.8
199.09512	3.7
199.41867	3.5
199.95030	4.2
207.52184	3.1
217.08606	23.0
217.10750	35.4
239.30202	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	217.0859
Annotation	Noraucuparin
Peak:m/z	Relative Intensity
50.07655	1.1
55.05494	3.8
57.78368	1.2
59.49487	1.3
64.62582	1.4
66.37318	1.3
83.04968	8.6
86.28359	1.2
89.06015	2.3
91.05463	10.8
101.06001	3.1
103.05426	1.6
105.06992	1.5
108.48566	1.7
111.04424	10.0
113.06042	1.5
115.05458	15.3
116.06239	3.0
128.06230	16.6
129.06995	100.0
131.04904	5.1
131.08572	28.4
135.04430	2.3
135.36116	1.6
141.06979	48.8
143.04932	2.6
144.05699	2.5
145.06480	4.6
145.08626	1.6
155.07034	10.4
157.05182	2.1
157.06480	39.8
159.08046	17.6
161.06070	1.8
169.06468	18.0
172.05223	7.1
173.05948	7.6
173.08083	6.8
186.06801	6.0
187.07521	69.9
189.09192	5.4
198.09177	7.7
199.07539	30.0
199.09357	1.7
217.08604	80.1
217.10617	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	217.0858
Annotation	Noraucuparin
Peak:m/z	Relative Intensity
55.05506	38.8
59.04980	7.5
67.05477	6.6
69.03426	4.7
70.38289	4.1
74.74100	4.1
81.07084	4.2
82.15485	4.0
82.46561	4.1
83.04973	63.7
83.08604	4.4
87.04462	5.2
89.02368	4.9
89.06012	16.4
91.05482	10.0
91.71712	4.7
101.06001	24.6
105.07020	5.4
107.34453	3.9
111.04439	84.5
113.05992	9.4
115.04691	4.4
115.05450	19.0
119.08588	5.1
127.07536	8.5
128.06223	17.4
129.05521	29.2
129.06989	100.0
130.08679	6.6
131.08554	22.9
131.92316	4.5
135.06609	4.3
137.05920	4.3
141.06989	49.6
155.07021	83.0
157.06506	33.6
159.08034	21.0
169.06511	19.5
173.08081	61.9
183.92940	4.9
187.07532	71.2
189.09090	5.0
198.09187	7.9
199.07529	22.8
199.09592	6.4
205.82796	4.6
217.08586	70.8
217.10710	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	217.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53550	3.6
55.05503	34.7
56.58200	3.8
56.96575	4.8
57.07085	6.8
57.19206	3.6
59.05003	10.7
59.59988	4.2
63.64173	4.2
65.75048	4.1
67.05511	12.1
67.61916	4.3
69.03416	10.7
69.07089	11.7
80.30546	4.6
83.04972	87.7
85.06556	6.1
89.02420	6.1
89.06050	9.0
91.05508	19.6
95.04981	5.9
101.06055	23.2
105.07063	21.1
107.08614	6.4
111.04434	63.3
115.05468	8.0
119.08627	8.0
125.09651	6.8
127.07553	5.2
128.06277	15.0
129.05565	26.1
129.06989	81.9
131.08562	25.1
141.07001	27.5
143.08630	11.4
147.08058	5.2
149.09608	100.0
155.07019	72.3
157.06430	25.5
157.10233	7.8
159.08101	17.5
161.09697	11.7
169.06537	12.8
173.08063	58.9
175.11157	6.5
187.07542	49.5
199.07602	14.6
217.08679	57.0
217.10779	55.0
217.15936	25.2
226.39642	5.2
232.91628	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	217.086
Annotation	Noraucuparin
Peak:m/z	Relative Intensity
52.71973	2.1
52.93354	2.4
55.05502	14.7
57.03431	3.2
57.07061	4.4
59.04995	3.7
60.78256	2.4
67.05491	6.6
77.13892	2.6
79.05500	3.5
81.07062	3.1
83.04978	35.5
83.08640	3.4
85.06518	3.2
89.02405	2.7
89.06023	4.2
90.25560	2.4
91.05494	19.0
93.07039	13.1
95.04963	8.5
101.06000	5.5
102.59219	2.5
105.07032	9.1
107.08585	4.1
109.10166	4.2
111.04436	33.7
115.05431	18.2
116.06211	3.5
117.07014	4.8
119.08586	4.7
127.07586	5.5
128.06227	19.0
129.05470	9.5
129.06995	100.0
131.04930	4.9
131.08549	36.7
133.10107	5.4
137.09621	10.6
139.08740	3.0
141.06979	50.6
143.08574	4.9
144.05699	5.4
145.06451	6.4
155.07034	38.8
157.06464	34.6
159.08087	19.9
169.06410	19.4
173.06032	9.8
173.08081	33.3
186.06804	4.5
187.07523	74.0
189.09062	4.3
192.65712	3.3
198.09200	9.5
199.07558	34.7
199.09395	5.6
207.63606	3.7
217.08618	79.7
217.10701	28.5
217.12433	4.1
217.15825	16.4
223.24040	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0858
Annotation	CHEBI:70632
Peak:m/z	Relative Intensity
50.99005	1.4
54.26219	1.1
55.01852	4.0
55.05486	4.9
64.32252	1.2
83.04964	7.8
83.31245	1.2
86.11591	1.1
89.06012	1.5
96.28613	1.3
98.20501	1.2
101.05998	2.8
111.04424	11.3
113.06020	1.5
115.05452	2.2
127.07525	2.2
128.06203	11.4
129.05511	2.1
129.06990	26.4
131.04924	5.2
131.08588	5.0
136.48869	1.3
143.08568	3.0
144.05698	17.1
145.06462	4.5
146.07295	3.8
155.07013	11.2
156.05798	2.9
157.06468	12.2
158.07263	7.3
158.36284	1.3
159.04451	1.8
161.09615	1.8
171.08237	2.9
172.05196	15.4
173.05888	1.9
173.08052	9.6
174.06752	36.0
175.07536	3.2
185.05916	1.7
187.07524	100.0
189.09084	49.7
199.07600	3.8
217.08604	18.2
217.10680	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	217.0973
Annotation	Lycoperodine 1
Peak:m/z	Relative Intensity
55.01873	0.7
55.05509	6.1
56.55230	0.8
67.05508	1.0
69.07056	2.0
71.08610	2.8
72.08138	0.7
74.02428	5.7
81.62132	0.8
83.04976	10.2
84.04490	6.6
87.04441	1.1
88.11275	6.0
89.06018	1.9
91.05492	0.9
101.05996	3.8
111.04437	13.8
113.06015	1.4
117.07021	1.8
119.08535	1.1
127.07550	1.0
129.05507	4.9
130.05013	4.0
130.06522	2.1
132.08076	1.8
143.07249	2.6
144.08083	100.0
155.07022	15.8
155.33847	0.9
171.09178	2.5
173.08096	13.4
173.10614	1.0
199.09581	1.2
200.12854	4.7
205.02963	0.9
217.06808	1.0
217.10631	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	217.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21428	4.3
55.05508	44.9
56.96543	6.6
57.07051	7.0
67.01873	34.4
67.05495	25.4
69.03410	7.4
69.07057	11.6
79.05471	22.8
81.03410	5.5
81.07030	23.7
83.04971	100.0
83.08630	6.6
85.06540	9.4
89.06024	13.2
91.05482	28.5
93.07033	17.3
95.04967	23.7
95.08608	22.4
101.06031	21.9
105.07015	58.3
107.08588	16.8
109.06543	6.1
111.04428	61.7
115.05454	26.1
117.07016	24.3
119.08602	16.4
123.08025	30.9
128.06239	16.4
129.05515	21.2
129.06984	62.4
131.08554	36.5
133.06516	22.0
141.06987	15.5
143.08578	21.4
145.10103	12.0
147.08000	9.0
149.09668	28.3
149.10794	7.3
151.07574	24.7
152.10571	8.1
155.07031	83.8
156.09247	9.5
157.06483	16.5
161.05945	8.9
161.09627	12.2
171.11684	19.0
173.08110	67.4
175.07588	9.9
187.07561	25.8
189.12868	6.6
199.07594	11.0
199.11223	13.2
217.08611	27.4
217.10651	48.2
217.12514	61.5
217.15938	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07656	2.7
55.05295	3.1
55.05506	39.2
55.69906	2.8
57.07055	5.7
59.04990	3.5
63.02736	2.9
65.03909	3.7
66.09838	2.7
67.01844	8.9
67.05482	12.9
69.03413	3.6
69.07050	4.0
73.02905	4.7
79.05486	8.3
80.53226	3.7
81.07063	4.6
83.04968	64.7
85.06541	8.0
87.04456	5.3
89.02353	5.5
89.06028	12.4
91.05460	19.4
93.07073	4.7
95.04956	4.8
95.08592	4.4
101.05991	23.5
105.07018	22.6
107.04892	3.3
107.08601	4.3
108.17977	3.2
111.04437	80.4
113.06026	8.7
115.05457	13.1
117.07022	5.6
119.08574	17.4
123.08050	13.9
127.07568	10.2
128.06245	6.9
129.05475	28.3
129.06964	23.6
130.08646	4.5
131.08548	11.9
131.43141	3.6
133.06482	13.9
134.41370	4.0
141.07025	4.5
143.04933	4.2
143.08574	8.1
145.10150	10.2
151.07535	6.2
155.07019	100.0
157.06419	4.1
159.11766	3.9
161.06020	3.6
171.11678	10.8
173.08066	73.1
174.06738	4.3
175.07597	6.7
176.73360	3.6
187.07532	8.4
189.09018	4.8
199.09645	5.7
199.11317	7.2
207.72975	3.9
217.08545	6.2
217.10489	59.7
217.12614	24.9
217.15741	4.8
219.74580	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46601	4.8
55.05505	60.3
63.40844	4.8
67.05488	9.2
68.69570	5.2
69.03415	9.9
73.45969	5.2
77.04380	5.2
79.05495	10.6
79.26194	5.2
81.03410	6.2
81.07056	10.3
83.04974	62.3
89.06020	10.9
91.05463	10.7
91.58484	7.8
95.01316	94.4
95.04945	8.0
101.05994	31.5
105.07027	10.2
107.08582	20.3
109.06462	6.6
111.04432	99.1
113.06065	7.1
116.68932	7.0
117.07034	8.0
127.07568	8.4
128.06210	9.6
129.05484	28.0
129.07016	13.0
145.06453	7.8
155.07039	100.0
156.09406	9.9
157.06548	8.9
161.05954	12.3
171.11697	11.2
173.08099	92.5
187.07607	17.1
189.09058	9.9
189.12749	9.4
193.97209	6.9
198.32854	7.3
199.11212	16.7
217.10429	59.1
217.12589	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07656	2.7
55.05295	3.1
55.05506	39.2
55.69906	2.8
57.07055	5.7
59.04990	3.5
63.02736	2.9
65.03909	3.7
66.09838	2.7
67.01844	8.9
67.05482	12.9
69.03413	3.6
69.07050	4.0
73.02905	4.7
79.05486	8.3
80.53226	3.7
81.07063	4.6
83.04968	64.7
85.06541	8.0
87.04456	5.3
89.02353	5.5
89.06028	12.4
91.05460	19.4
93.07073	4.7
95.04956	4.8
95.08592	4.4
101.05991	23.5
105.07018	22.6
107.04892	3.3
107.08601	4.3
108.17977	3.2
111.04437	80.4
113.06026	8.7
115.05457	13.1
117.07022	5.6
119.08574	17.4
123.08050	13.9
127.07568	10.2
128.06245	6.9
129.05475	28.3
129.06964	23.6
130.08646	4.5
131.08548	11.9
131.43141	3.6
133.06482	13.9
134.41370	4.0
141.07025	4.5
143.04933	4.2
143.08574	8.1
145.10150	10.2
151.07535	6.2
155.07019	100.0
157.06419	4.1
159.11766	3.9
161.06020	3.6
171.11678	10.8
173.08066	73.1
174.06738	4.3
175.07597	6.7
176.73360	3.6
187.07532	8.4
189.09018	4.8
199.09645	5.7
199.11317	7.2
207.72975	3.9
217.08545	6.2
217.10489	59.7
217.12614	24.9
217.15741	4.8
219.74580	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1588
Annotation	ar-Turmerone
Peak:m/z	Relative Intensity
51.44410	0.4
53.03948	0.6
55.05509	4.6
57.07051	0.5
59.04982	0.5
66.28571	0.5
67.05486	1.7
69.03422	0.7
69.07053	3.4
81.07032	0.9
83.04974	8.4
83.08600	0.8
85.06549	0.6
89.06023	1.3
91.05462	3.2
93.07023	1.8
95.04965	1.0
101.06012	3.3
105.07028	14.7
107.04935	1.3
107.08587	2.1
109.10178	3.7
111.04440	10.9
113.05981	1.8
115.05457	1.0
117.07032	1.2
119.08595	2.5
121.06502	14.8
121.10151	0.7
127.07533	1.6
128.06215	1.4
129.05489	3.6
129.07014	1.3
131.04907	0.7
131.08533	0.8
133.10132	13.0
135.08061	11.3
143.08470	1.4
145.06459	1.0
146.07274	9.4
147.08018	0.8
149.05998	0.5
149.09650	0.9
155.07028	11.4
161.09610	100.0
173.08098	10.2
175.11121	0.8
175.14830	3.5
187.07524	0.9
199.09627	0.7
217.10660	7.8
217.12593	0.8
217.15858	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	217.1587
Annotation	(+)-Anhydro-beta-rotunol
Peak:m/z	Relative Intensity
55.05253	3.4
55.05503	38.8
59.04984	5.8
67.05494	8.7
69.03415	10.8
69.07058	4.7
79.05484	3.5
81.07058	9.1
83.04968	67.7
85.06544	5.5
89.02385	3.5
89.06015	13.9
91.05474	10.9
93.07028	8.2
95.08624	3.6
98.32636	3.6
99.04445	4.5
101.06013	30.1
105.07017	25.8
107.08585	7.0
111.04426	79.7
113.05978	7.9
119.08588	25.9
121.06466	3.8
121.10152	4.9
127.07574	10.1
129.05476	28.3
129.07008	6.9
131.08546	7.3
133.10112	30.7
142.07797	5.5
143.08572	9.8
145.10156	7.1
147.08008	5.6
147.11682	14.1
149.09598	52.6
155.07011	100.0
155.08275	4.9
157.10135	14.6
159.11703	4.4
161.09645	13.1
173.08076	68.1
175.11183	7.3
176.33331	4.0
187.07512	6.1
189.09076	7.2
189.16396	11.0
199.09789	4.4
199.14824	15.0
217.10684	51.8
217.12584	4.3
217.15855	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	217.1588
Annotation	ar-Turmerone
Peak:m/z	Relative Intensity
55.05507	27.5
57.07063	15.8
59.04977	4.3
67.05499	14.8
69.03397	3.8
69.07042	4.4
71.04959	1.7
73.02892	2.0
79.05466	5.4
81.07048	4.2
83.04971	70.8
83.08587	2.4
85.06530	9.2
87.04429	5.4
89.02371	4.5
89.06042	13.0
91.05476	17.7
93.07037	29.2
95.04956	25.5
95.08582	4.0
96.08067	2.0
99.04420	3.1
100.72195	1.6
101.06005	27.7
105.07012	7.3
107.04964	3.1
107.08566	3.6
109.10132	2.9
111.04433	77.0
113.05980	8.3
117.06984	4.8
117.19715	2.0
119.08585	4.6
125.09605	11.2
127.07546	8.4
128.06207	3.4
129.05473	33.3
129.06978	5.1
130.08606	2.7
131.08530	3.1
133.10103	4.9
137.05891	2.1
137.09612	53.6
140.00160	2.2
143.08548	3.7
149.09645	4.5
155.07024	100.0
157.10083	7.3
158.01234	2.3
159.11678	2.1
161.09555	6.9
170.60400	2.2
173.08092	80.2
174.06700	2.3
176.95341	4.7
187.07558	2.8
189.09088	1.9
199.09595	5.6
199.14877	3.0
217.08852	2.5
217.10674	64.7
217.15829	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1586
Annotation	ar-Turmerone
Peak:m/z	Relative Intensity
53.37971	1.0
55.05505	8.0
57.70715	1.0
67.05492	1.8
68.90690	1.0
69.03423	1.4
69.07044	1.7
71.38875	1.0
77.32536	1.2
79.05453	1.2
79.15816	1.0
81.07021	1.9
83.04971	100.0
91.05475	4.1
93.07030	2.7
93.85220	1.0
95.08594	2.5
105.07024	4.3
107.04963	3.0
107.08594	3.0
109.10165	1.3
111.04439	3.7
118.30241	1.2
119.08570	3.7
125.09650	2.6
128.06232	2.7
129.07005	6.3
131.08565	3.8
133.06487	1.7
133.10115	3.1
141.06984	3.6
143.08533	2.3
147.08047	5.8
147.11687	1.7
149.09584	6.7
155.07042	2.8
157.06490	3.9
157.10133	2.9
159.08009	1.7
159.11690	1.6
161.09578	15.1
161.10620	1.4
172.05292	1.5
173.08044	2.1
178.15977	1.2
184.62785	1.4
187.07605	4.7
199.14806	2.4
217.08600	4.7
217.10637	2.2
217.15863	26.9
217.17795	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	217.1587
Annotation	ar-Turmerone
Peak:m/z	Relative Intensity
55.05491	14.3
56.96561	5.2
57.07070	25.6
59.04970	6.2
60.44049	3.2
67.05494	24.2
72.00784	3.9
73.55616	3.8
75.00043	3.5
76.31180	3.7
78.87231	3.4
78.93490	3.2
79.05476	10.9
81.07044	9.7
83.04963	39.1
85.06533	13.0
91.05464	31.0
93.07034	49.8
95.04957	51.2
95.08611	9.5
98.65993	3.6
101.06009	11.4
105.07000	5.9
107.08547	3.9
108.19706	4.0
109.10145	9.9
111.04439	34.8
117.06995	8.1
119.08586	11.7
122.26877	4.1
125.09636	18.8
127.07582	7.7
129.05486	18.0
129.06984	10.1
131.08568	12.4
133.10107	11.5
137.09610	100.0
143.08629	5.4
155.06996	44.8
157.10042	8.7
161.09630	5.1
173.08107	40.6
173.38429	5.1
217.10687	31.9
217.15854	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1587
Annotation	ar-Turmerone
Peak:m/z	Relative Intensity
50.23864	3.0
55.01883	3.2
55.05508	22.1
56.96584	3.3
57.07069	25.7
59.05008	8.4
61.65951	3.2
67.05487	32.3
69.07045	6.6
72.89002	3.9
79.05485	8.0
81.07059	7.9
83.04965	32.5
85.06572	14.6
89.06024	5.1
91.05466	38.1
93.07037	68.0
95.04959	45.8
95.05445	4.2
95.08634	9.6
101.06054	17.6
105.07043	10.7
107.08648	5.7
109.10179	9.3
111.04424	51.6
113.06027	5.1
117.07015	6.3
119.08563	9.7
123.08949	4.0
125.09631	20.6
125.72440	4.2
129.05540	6.4
129.07091	7.6
131.08594	7.5
133.10136	8.9
137.09610	100.0
137.10576	6.5
143.08643	9.6
145.06511	4.9
155.07031	54.4
157.10161	6.8
161.09639	9.9
173.08063	38.1
174.80850	4.3
176.95305	5.2
217.10609	43.3
217.15851	98.3
217.17715	7.6
234.05629	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	217.1587
Annotation	(+)-Anhydro-beta-rotunol
Peak:m/z	Relative Intensity
53.00275	2.4
55.05501	24.9
56.96544	2.6
57.07048	7.3
59.04983	2.5
60.51099	2.1
65.03915	2.5
67.05499	13.5
69.03389	5.4
69.07060	33.8
76.54709	2.2
79.05461	5.1
81.03397	14.0
81.07045	14.1
83.04971	40.7
83.08577	6.2
85.58852	2.3
89.06004	5.7
91.05470	17.4
93.07030	14.8
95.04940	18.1
95.08590	16.0
97.06486	3.6
97.10162	3.7
101.06014	18.8
105.03365	9.3
105.07015	43.9
105.19035	2.5
107.04910	2.7
107.08558	12.9
109.06517	12.5
109.10159	8.7
111.04439	42.1
113.06007	6.4
117.07011	7.7
119.08575	21.2
119.80714	2.5
121.06483	8.3
121.10111	7.9
123.08089	3.7
123.11687	6.4
127.07502	6.8
128.06177	16.5
129.05498	17.7
129.06970	9.7
131.08554	16.2
133.06483	5.5
133.10110	18.5
135.08058	5.6
135.11670	8.0
141.06865	2.6
142.07771	10.8
143.08549	47.8
145.06491	2.7
145.10092	7.5
147.08063	19.9
147.11694	6.1
149.09532	5.8
155.07014	54.1
156.09297	5.4
157.10100	28.8
159.11671	7.3
161.09590	34.1
171.11662	7.6
173.08093	36.3
173.13235	11.1
174.10341	8.2
175.11197	5.8
184.12579	3.3
187.07491	3.3
189.16325	11.8
199.09579	3.8
199.14796	42.6
206.51643	2.7
217.10655	40.4
217.12395	4.4
217.15851	100.0
217.89059	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	217.1587
Annotation	(-)-Debromoaplysin
Peak:m/z	Relative Intensity
52.18573	4.9
57.07058	24.4
58.56524	4.4
59.04981	7.4
63.56432	4.7
67.05490	22.8
69.03413	5.5
70.35824	6.7
79.05502	8.7
81.07082	8.4
85.06538	8.9
91.05468	27.8
93.07039	76.4
95.04967	52.0
95.08606	7.2
105.07051	7.4
119.08552	8.3
125.09621	18.8
131.08591	7.6
137.09598	100.0
217.15831	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1587
Annotation	ar-Turmerone
Peak:m/z	Relative Intensity
53.71801	2.6
55.05504	31.5
56.96539	9.4
56.96796	2.5
57.07068	23.6
59.04975	3.0
67.05489	22.7
69.03407	5.0
69.07039	6.4
73.02920	2.9
79.05485	6.9
81.03379	3.7
81.07045	9.9
83.04964	48.6
83.08587	4.0
85.06541	8.3
87.04482	3.6
89.02399	5.1
89.06021	9.3
91.05477	21.4
93.07034	76.5
95.04971	41.2
95.08594	5.4
99.04452	3.3
101.06012	22.4
105.07031	10.7
107.08591	4.8
109.10144	7.4
111.04421	56.3
113.06000	5.2
117.07063	5.3
119.08582	5.6
121.10148	5.3
125.09641	11.8
127.07547	6.9
129.05481	22.7
129.06969	4.3
131.08568	8.5
133.10135	5.2
135.11674	4.0
137.08534	5.2
137.09604	100.0
143.08536	6.9
151.11168	4.6
155.07018	68.7
157.10127	5.2
158.50635	3.0
160.74854	2.8
161.09602	5.3
173.08081	55.9
174.10486	3.7
195.39104	3.0
197.08569	3.4
199.09612	5.1
217.08778	5.9
217.10695	45.8
217.12508	6.3
217.15849	79.3
217.21814	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	217.1587
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
55.01870	3.4
55.05498	31.3
59.04982	6.2
67.05471	5.4
69.03421	14.5
69.07052	6.8
81.07034	5.8
83.04964	50.1
85.06528	4.8
87.04453	3.9
87.53471	2.4
89.02371	5.6
89.06011	9.2
91.05480	6.6
91.21777	2.8
93.07034	9.5
95.04929	6.0
101.06004	16.2
103.05424	2.5
105.07009	15.1
107.08582	4.8
111.04432	60.9
112.44412	2.6
113.06000	4.9
117.06993	3.5
119.08588	9.6
125.09579	6.1
127.07526	6.2
128.06192	4.8
129.05455	23.7
129.06985	5.9
131.08545	4.9
133.10156	7.1
134.60373	2.8
143.08546	8.8
145.10129	4.8
147.11548	3.3
149.09608	100.0
149.10803	5.6
155.07013	69.2
157.10078	6.6
159.11641	3.4
161.09624	6.3
173.08073	57.5
175.11197	4.6
187.07498	3.4
189.16379	8.3
199.09630	5.9
199.14812	9.2
210.42989	3.0
217.10612	40.2
217.15862	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	217.1586
Annotation	Nakafuran 8
Peak:m/z	Relative Intensity
55.05486	5.9
57.07041	2.5
58.35542	1.0
67.05472	3.1
69.07064	1.1
78.75843	1.2
83.04956	8.3
89.05974	1.6
91.05447	3.3
93.07001	4.2
93.48252	1.3
95.04948	3.5
95.08553	1.2
101.05989	2.6
102.61521	1.2
105.07037	9.0
107.08557	1.8
109.10123	1.6
110.91496	1.5
111.04428	8.6
113.64684	1.2
117.06950	2.1
119.08581	1.7
121.06490	2.7
127.07565	1.8
129.05478	2.0
129.06981	1.8
130.99129	1.1
131.08569	2.0
133.10098	5.9
137.09604	7.2
137.10475	1.2
142.07718	1.4
143.08546	2.1
145.10083	4.1
146.07265	1.7
147.07935	2.1
153.72968	1.3
155.07007	9.3
157.10109	4.2
159.07999	2.4
159.11697	6.7
161.09601	21.8
173.08054	9.1
174.14119	1.7
175.11136	5.6
187.07533	1.6
201.12735	2.7
202.13507	5.2
217.10675	5.4
217.15851	100.0
235.21280	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	217.1588
Annotation	(Z,E)-2-(2,6-Dimethyl-2,5,7-octatrienyl)-4-methylfuran
Peak:m/z	Relative Intensity
50.63354	0.6
51.49697	0.6
55.05488	2.5
57.27510	0.5
62.42846	0.5
67.05480	1.6
69.03367	0.6
69.07048	3.6
70.85110	0.6
73.02911	0.6
79.05472	0.8
81.07056	1.0
83.04965	4.2
89.06015	0.9
91.05450	3.0
93.07027	2.5
95.08576	1.0
101.06000	1.8
102.19639	0.6
105.07025	12.7
107.08573	1.5
108.04456	0.6
109.10126	2.8
110.76109	0.7
111.04414	4.7
117.07002	1.1
119.08584	3.7
121.06495	15.3
121.10070	0.8
127.07461	0.7
128.06226	1.4
129.05453	0.9
131.08580	0.9
133.10133	10.5
135.08044	10.3
143.08572	0.8
143.68646	0.7
145.06514	1.0
146.07249	9.4
149.09569	1.4
155.07043	6.1
161.09602	100.0
173.08038	4.7
175.14787	3.2
191.61697	0.7
217.10649	4.0
217.13953	1.2
217.15869	16.3
234.78455	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25115	3.7
55.05502	57.0
56.96554	39.1
57.07064	12.3
59.04982	4.4
59.94305	4.2
67.05502	33.3
69.07056	28.4
79.05485	11.3
81.07035	33.5
81.97693	4.1
83.04973	70.2
83.08590	15.6
86.61281	4.5
87.04466	7.2
88.62772	4.3
89.05998	12.3
91.05473	26.1
93.07033	19.8
95.08591	24.2
101.05981	27.6
105.07015	23.9
107.08603	12.7
109.10156	19.8
111.04430	91.3
113.05977	10.5
119.08610	26.7
121.10138	22.4
123.11706	7.2
127.07576	10.6
129.05484	34.5
130.08655	8.3
133.10121	20.6
135.11662	28.8
147.11690	18.2
155.07019	100.0
161.13248	18.8
173.08081	73.5
175.14821	7.1
199.09627	9.2
199.11557	6.2
217.10712	64.7
217.12625	15.7
217.19456	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41337	1.2
52.12099	1.4
53.58429	1.6
57.07067	9.3
70.06300	1.5
70.06582	17.8
71.08595	5.6
88.07623	24.7
102.09144	4.8
106.08682	10.7
115.96390	1.6
161.52931	2.0
165.20682	1.8
200.20140	8.6
218.21136	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
67.78526	39.0
73.75148	42.9
80.67240	47.6
104.70715	40.5
120.52712	43.8
134.48860	43.4
148.48932	52.8
219.02646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
52.40670	4.5
55.05499	6.1
56.96550	16.0
57.07067	33.9
60.21381	4.8
64.32341	4.9
77.01421	4.8
79.05488	7.7
81.03387	9.1
81.07036	9.6
84.89557	5.3
85.06524	8.8
91.05479	17.9
93.07029	9.8
103.05397	5.8
105.07010	13.7
107.08601	6.7
115.05461	14.0
117.06999	9.5
119.08568	21.2
121.10149	8.0
122.85066	6.8
128.06198	19.5
129.06982	33.4
131.04935	15.6
131.08543	45.2
133.10088	7.1
141.06989	28.6
145.06496	10.8
145.10117	7.9
157.06491	25.4
158.07260	22.2
159.08057	24.6
159.11530	6.1
161.09651	7.0
169.06485	6.9
170.07318	7.0
171.91148	5.4
174.06738	71.0
175.07458	8.0
186.06783	15.7
189.09084	69.3
201.09105	25.1
201.16414	10.9
203.14325	12.5
215.11403	6.0
218.21045	6.8
219.06557	7.3
219.10112	100.0
219.13728	6.0
219.17444	44.7
219.21500	6.0
227.64948	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	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
64.34579	3.1
67.05473	3.0
73.74324	3.6
75.57309	3.5
78.48782	3.8
80.75851	3.7
91.05475	16.1
91.67290	3.9
115.05447	10.6
117.07006	3.8
128.06244	10.5
129.07005	43.8
131.04947	6.6
131.08534	39.8
137.06056	4.1
139.74220	3.8
141.06992	30.8
142.66380	3.7
144.05626	4.4
145.06512	6.3
157.06532	14.0
158.07237	21.1
159.08055	24.5
169.06508	12.3
170.07248	7.0
173.06050	5.4
174.06764	66.3
175.07570	13.3
186.06786	12.2
189.09096	83.3
191.10762	5.5
201.09093	30.6
219.10135	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	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.63636	2.5
57.07069	6.6
61.13608	2.9
91.05480	10.1
92.12078	3.9
95.04962	3.6
103.00751	3.1
105.07013	4.6
115.05436	12.2
117.07018	8.5
119.64004	3.9
127.97821	3.1
128.06195	14.6
129.07002	45.4
131.04948	7.7
131.08569	39.7
137.53180	3.5
138.57396	3.3
141.06989	33.4
142.33127	3.1
144.05675	9.1
145.06483	9.0
146.07269	7.5
157.06505	14.3
158.07245	20.5
159.04474	4.3
159.08076	18.2
165.12611	4.5
169.06467	15.2
170.07307	6.8
173.06111	5.3
174.06746	73.7
175.07504	7.6
186.06741	11.1
189.09116	79.7
201.09035	33.5
219.10164	100.0
219.13814	10.8
219.17479	4.6
233.21667	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	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
56.96542	10.7
57.07067	10.7
60.74788	4.5
67.05495	9.1
81.03424	7.2
81.07043	7.4
82.45660	4.9
91.05486	21.4
95.54836	5.7
103.05476	7.2
103.55627	5.5
105.07012	7.2
115.05473	19.4
117.07014	10.7
119.08643	6.3
128.06223	17.6
129.06998	33.4
131.04955	13.5
131.08557	39.6
133.10112	7.7
135.04407	11.1
137.06020	14.6
141.06987	41.4
145.06461	9.7
146.05963	9.9
146.07140	7.3
157.06497	18.2
158.07265	19.4
159.04398	6.5
159.08054	27.4
160.05203	13.8
169.06514	15.7
174.06726	70.1
175.07550	22.6
177.76367	6.4
186.06731	21.3
189.09073	67.3
191.10667	10.0
201.09079	29.8
203.14305	8.2
218.21086	15.0
219.06091	6.8
219.10121	100.0
219.17389	34.2
219.21683	6.1
227.41840	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
52.72657	4.2
56.96558	7.3
63.44498	4.3
81.07060	8.3
91.05455	12.1
98.97586	10.1
100.35828	4.3
105.07037	9.3
109.10150	4.8
112.57187	4.5
115.05447	15.4
116.06223	5.3
116.98633	7.3
128.06219	13.3
129.06981	51.8
131.04918	11.2
131.08566	33.3
131.93181	5.1
137.09845	4.9
140.00224	8.2
141.06958	37.6
145.06479	12.8
146.06126	7.9
157.06512	15.3
158.07285	25.0
159.08084	22.6
169.06477	11.5
170.07233	8.6
173.05927	9.2
174.06754	69.2
175.07581	6.1
186.06741	12.8
189.09099	78.2
191.10690	8.1
201.09119	38.5
203.14383	8.9
219.10115	100.0
219.17453	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	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03415	8.0
60.64526	7.5
62.83234	7.0
63.55182	6.9
69.26367	6.9
72.97955	7.6
84.32888	9.0
89.35709	8.3
91.05453	19.8
115.05447	12.5
128.06197	14.2
129.06993	53.9
131.08569	41.9
141.06966	42.1
157.06494	16.4
158.07213	17.1
159.08076	25.9
169.06497	15.1
170.07346	13.0
174.06737	64.2
175.07471	10.6
186.06792	17.2
189.09096	82.9
201.09128	39.1
203.14249	10.9
216.00244	8.5
219.10114	100.0
219.17439	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	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.49895	3.5
55.37033	3.7
56.96544	5.4
58.58687	3.3
59.65612	3.6
63.46890	3.8
67.05510	5.6
69.08929	4.2
76.73470	3.6
81.07064	4.0
91.05465	15.1
91.59383	3.9
95.08629	4.6
103.05508	6.1
104.40114	4.1
105.07027	7.2
112.17171	3.5
115.05444	12.1
117.07027	8.1
128.06242	7.5
129.06987	50.2
129.76744	4.2
130.07776	4.6
131.04945	6.3
131.08548	50.4
133.10216	5.7
141.06963	41.3
144.05795	7.6
145.06445	8.3
146.07240	7.4
157.06485	16.2
158.07251	28.2
159.08090	25.6
160.05147	5.9
169.06483	14.4
169.57484	5.4
170.07265	5.9
174.06757	85.1
175.07570	14.3
177.37723	4.5
179.27242	4.2
186.06770	21.8
187.03827	5.4
189.09105	94.6
191.10612	11.5
201.09091	42.2
203.14397	5.9
205.34488	5.0
219.10155	100.0
219.17465	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	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01865	3.6
57.03410	3.6
57.35641	2.6
65.26974	2.9
67.05496	11.7
71.04985	3.5
71.12940	3.4
72.47211	3.6
79.05479	9.2
81.07049	12.0
85.02895	5.2
85.06486	3.7
91.05463	26.7
93.07025	9.6
95.04953	4.1
95.08604	6.4
99.43523	3.2
103.05482	4.8
105.07026	14.8
107.08595	7.0
109.10163	4.7
115.05460	14.6
116.06321	4.0
117.07003	22.6
119.08576	9.0
121.06552	4.7
121.10091	3.8
128.06245	19.4
129.06985	49.3
130.07809	4.6
131.04930	10.6
131.08548	49.6
133.10138	3.8
135.08078	6.1
141.06990	37.2
144.05682	4.3
145.06505	10.4
145.10110	8.9
146.07266	5.6
157.06485	14.5
157.10136	5.3
158.07301	24.2
159.08058	24.0
159.11687	35.1
160.05086	4.4
169.06470	13.0
170.07242	4.1
173.06007	6.2
173.13264	8.2
174.06744	65.6
175.07526	9.0
177.09093	3.6
183.11725	6.9
186.06766	14.1
188.08311	5.6
189.09081	83.9
191.10677	7.9
191.14261	6.9
201.09103	30.1
201.12801	10.4
219.10159	100.0
219.13554	22.6
219.17502	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	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
52.15884	1.8
54.72789	2.2
55.05478	2.0
56.96538	3.6
57.07047	5.7
62.85069	2.2
67.05475	5.8
69.07046	2.7
70.36984	2.2
79.05494	2.1
81.07040	3.5
91.05463	18.7
95.08619	2.5
103.05453	4.5
105.07030	5.6
107.08566	2.9
109.10141	9.6
111.24149	2.2
115.05429	12.5
116.06226	4.0
117.07000	6.9
119.08552	3.9
121.06432	3.4
128.06218	14.4
129.06985	52.0
130.07768	6.3
131.04915	10.3
131.08569	41.1
133.06488	2.4
133.10112	3.5
135.07967	4.3
135.11700	3.4
137.06000	4.3
141.06987	42.0
144.05710	8.9
145.06462	6.0
145.10034	3.0
146.07249	3.6
152.80255	2.5
157.06480	18.2
157.88971	2.6
158.07256	25.2
159.08047	28.8
160.05179	7.4
161.09605	3.5
163.07530	5.6
169.06448	16.9
170.07253	8.7
173.05952	6.8
174.06744	70.3
175.07518	8.8
186.06747	17.3
188.08334	3.6
189.07455	5.5
189.09094	89.6
191.10670	7.1
201.09099	36.2
203.14282	3.4
219.10146	100.0
219.17426	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	219.1339
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
55.05503	1.5
56.05026	2.1
56.96552	1.8
57.03413	1.3
60.04517	100.0
60.22595	1.2
69.03389	1.8
69.07053	1.3
69.38852	1.1
72.08147	11.2
74.06072	10.2
77.73146	1.1
80.05020	2.6
81.03407	3.8
83.54810	1.3
84.04481	2.2
84.08150	1.4
85.02892	7.8
86.09698	72.1
87.04484	1.6
87.05592	3.3
99.04475	2.0
108.04478	2.7
109.02882	2.1
117.05621	2.2
118.06543	5.6
118.08636	2.8
120.06572	1.5
125.19160	1.5
128.10742	2.2
132.09212	2.7
132.10204	44.5
145.04942	1.9
146.06010	8.2
160.23924	1.6
173.12811	21.3
174.05473	2.2
191.08138	6.7
201.12314	4.2
219.11377	3.5
219.13437	10.2
219.17497	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	219.134
Annotation	L-leucyl-L-serine
Peak:m/z	Relative Intensity
54.39659	0.9
55.05501	2.7
56.05026	4.9
57.03440	3.3
58.06599	1.4
60.04522	1.6
60.32539	1.0
60.88741	1.1
69.07059	5.7
71.04984	2.1
72.08150	22.4
72.28091	1.0
74.06073	17.7
80.70295	1.1
81.03419	3.2
82.06573	1.7
83.36087	1.2
84.04498	25.3
84.08138	3.4
85.02907	6.9
86.09699	100.0
90.05537	6.5
90.09203	5.9
98.06008	1.2
109.02872	1.7
109.06529	1.3
110.09676	3.0
114.05585	1.4
117.05663	1.6
118.06533	3.1
118.08641	1.4
121.78747	1.3
130.05002	11.9
137.07921	1.4
138.09233	1.8
141.05499	1.4
146.05974	5.8
147.06580	1.3
148.07634	1.4
155.09052	1.8
156.06544	2.1
156.10229	3.7
173.12834	1.9
174.05525	1.9
184.09718	5.9
186.80322	1.3
191.08171	3.7
201.10329	1.5
201.12202	2.0
219.11426	2.6
219.13354	9.6
219.17383	2.2
220.93460	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1379
Annotation	4-Methoxy-3-(isopenten-2-yl)acetophenone
Peak:m/z	Relative Intensity
53.00293	2.5
54.07527	1.9
54.92167	2.1
55.01835	2.4
55.05479	7.4
57.06809	3.8
57.07067	50.9
66.63741	2.0
67.00578	2.0
67.05492	33.7
69.03400	2.6
69.07037	10.9
79.05475	6.0
81.07024	10.9
82.98676	2.1
83.08593	3.2
85.06541	21.6
91.05480	13.1
93.07031	14.3
93.10569	2.4
95.04961	20.7
95.08607	18.3
97.06509	3.3
103.43645	2.2
105.07017	12.9
107.08578	16.6
109.06517	2.8
109.10152	35.0
117.07020	11.8
119.08554	5.1
121.06464	4.8
121.10101	2.9
123.04395	7.5
123.08067	4.0
123.45318	2.3
125.09650	7.3
131.08533	13.8
133.06519	4.1
135.08028	26.5
135.11707	5.3
144.37263	2.8
145.06488	11.8
145.10115	8.1
151.11151	3.5
153.86325	3.1
159.08003	5.0
159.11676	7.2
163.07417	5.8
173.13289	4.7
174.06805	2.7
177.09039	3.1
189.09053	4.3
201.12701	3.8
201.16327	7.9
219.10312	5.0
219.13776	100.0
219.17184	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	219.138
Annotation	Cinnamyl isovalerate
Peak:m/z	Relative Intensity
50.89426	0.9
51.63462	1.0
55.01850	3.5
55.05486	2.6
55.75804	1.0
56.47829	1.0
56.52834	1.1
56.96548	1.4
57.07068	53.9
57.07349	3.1
59.04985	1.1
65.03899	1.1
67.05487	11.0
67.70364	1.0
69.03413	2.9
69.07043	3.2
77.72515	1.2
79.05480	5.4
81.03397	2.8
81.07021	3.2
81.16200	1.1
83.04939	1.7
83.77548	1.2
85.06532	22.9
85.96503	1.1
91.05463	9.5
93.07053	5.4
93.59566	1.1
95.04960	23.4
95.08593	12.3
97.06490	2.1
101.32781	1.2
105.07020	5.1
107.04943	1.9
107.08565	7.1
109.06506	2.7
109.08953	1.2
109.54356	1.1
115.05457	3.2
117.06998	8.7
119.08576	3.2
121.06491	3.4
123.04453	6.9
123.08087	6.5
125.09637	2.7
129.06964	2.0
131.08578	8.3
133.06454	1.5
133.10126	1.1
135.08051	26.2
141.06924	2.1
145.06471	8.9
145.10072	1.8
147.14703	1.2
159.08043	3.3
163.07533	6.4
173.13182	1.8
176.08369	2.4
177.09045	1.9
189.09094	2.0
191.14247	2.7
201.12709	5.0
203.30481	1.3
219.10306	2.7
219.13779	100.0
219.17384	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	219.1379
Annotation	Cinnamyl isovalerate
Peak:m/z	Relative Intensity
51.20458	7.6
51.59031	8.5
54.85374	10.8
55.01880	10.8
57.07071	73.6
67.05486	47.0
79.05488	21.1
81.03400	11.3
81.07021	19.6
85.06523	25.9
91.05470	46.1
93.07064	13.6
95.04935	24.0
95.08615	25.1
102.29399	10.1
105.07024	18.8
107.04964	15.5
107.08588	17.9
115.05449	13.6
117.07040	56.7
117.07723	9.9
119.08557	14.0
121.06490	13.4
123.08057	16.1
125.09678	13.4
131.08582	34.2
133.06557	11.4
135.08102	21.0
141.06978	13.1
145.06450	22.1
158.07231	15.6
159.08057	23.2
174.06749	14.4
189.09052	18.1
191.14308	33.3
201.12773	32.0
203.14449	13.0
219.10295	25.1
219.13849	100.0
219.17436	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	219.1378
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
52.14568	5.4
53.84116	6.0
55.01870	15.4
55.05509	8.1
57.07074	10.8
65.97280	6.9
67.05501	9.4
69.03400	8.5
79.05483	18.9
81.07051	36.9
91.05475	55.2
93.07021	53.0
95.04984	19.2
95.08613	26.7
101.28058	7.3
101.28719	6.9
105.07030	28.9
107.08583	30.8
109.06472	13.2
109.10163	12.8
115.05428	14.8
117.06999	13.0
119.08573	31.6
121.06494	81.2
121.10150	11.3
128.06230	12.0
129.07011	32.6
131.04941	10.7
131.08554	52.3
133.06528	11.5
133.10149	21.5
135.08092	7.1
141.06996	30.6
144.05623	8.1
145.06477	76.0
145.10153	21.2
147.11699	13.4
157.06496	10.1
158.07289	22.2
159.08034	33.3
159.11630	19.7
169.06516	7.7
173.13205	35.2
174.06712	40.4
183.11713	12.9
186.06781	8.1
189.09038	70.4
201.09120	21.7
201.12727	100.0
212.61641	7.9
219.10120	56.1
219.13667	39.5
219.17375	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.138
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
51.08235	5.5
52.38915	4.3
52.94068	4.7
53.59428	4.3
55.01869	5.0
55.05490	5.8
57.55890	4.8
61.70948	4.7
67.05489	21.4
69.07060	7.4
71.04993	7.2
79.05470	23.8
81.07061	30.8
91.05463	45.6
93.07034	27.9
95.08625	9.8
105.07040	30.0
107.04940	8.6
107.08598	16.5
115.05470	9.5
117.07014	51.5
119.08586	23.3
119.50136	6.2
121.06513	17.1
121.10098	10.0
124.07529	8.4
129.06987	13.4
131.08597	50.9
135.08060	12.6
141.06947	8.9
145.10141	25.0
147.11670	10.7
149.09631	6.9
155.08574	6.8
157.10164	17.2
159.11671	100.0
173.13295	25.5
183.11652	13.3
191.14326	28.1
201.12737	17.9
219.13788	80.9
219.17419	20.5
220.16882	7.9
220.28987	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	219.1378
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
55.01852	9.1
55.05504	9.3
57.07071	5.3
60.04534	6.5
60.35551	5.5
67.05483	26.4
69.03403	6.4
69.07061	15.0
70.88032	5.6
71.05010	7.9
71.11711	6.1
79.05463	35.5
81.07050	35.9
81.07452	7.9
91.05465	60.9
93.07027	31.5
95.04947	15.5
95.08604	18.8
102.97743	6.7
103.57850	7.1
105.07038	52.0
107.08581	34.8
109.06518	8.7
111.04441	6.2
111.07343	6.9
117.07014	52.7
119.08575	55.9
121.06487	16.0
121.10177	17.2
129.06999	15.0
131.08572	79.4
133.10153	12.9
135.08047	10.9
145.10120	40.7
146.64917	7.5
147.11740	11.9
149.05943	8.9
154.28642	7.9
155.08591	10.3
157.10104	9.4
159.11678	94.3
161.09630	8.1
173.13222	65.3
183.11774	21.6
185.59174	6.9
191.14322	33.7
201.12752	42.7
203.74020	6.9
219.13765	100.0
219.17299	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	219.138
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
51.50197	2.5
55.01869	4.5
55.05512	8.4
56.62036	2.5
57.03445	3.1
57.20140	2.6
62.86637	3.0
67.05511	10.5
69.07062	5.6
71.05009	6.3
79.05476	21.6
79.74132	2.9
81.07048	24.5
85.02920	9.6
88.72717	3.5
91.05479	39.4
91.71638	6.7
93.07044	22.1
95.04997	6.2
95.08617	8.8
96.21799	3.0
103.05518	3.7
103.62224	3.6
105.07029	37.2
107.08633	9.1
108.04509	3.3
109.06578	3.4
109.10214	4.1
113.06058	3.9
115.05459	5.7
116.06298	4.9
117.07014	44.0
119.08577	22.4
121.06554	7.4
121.10208	6.6
128.21791	3.5
129.07059	14.1
131.08560	64.6
133.06522	4.0
133.10196	5.3
135.08083	8.3
135.11711	3.6
139.07614	5.1
142.07800	5.7
144.09369	7.4
145.06453	7.7
145.10126	23.5
146.10872	3.9
147.11818	3.2
155.08623	13.5
157.10109	21.9
159.08113	7.6
159.11685	100.0
161.09726	3.7
163.07561	5.0
173.09700	6.5
173.13229	30.3
175.11324	6.8
177.09099	4.5
177.12831	3.8
183.11697	17.2
191.14320	17.6
201.12735	22.7
219.13777	84.3
219.17299	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	219.1379
Annotation	Chromoarnottione
Peak:m/z	Relative Intensity
55.05495	5.2
55.48776	4.4
57.38479	5.3
67.05492	25.3
68.65081	6.4
70.14798	4.7
79.05487	22.5
81.07049	28.3
91.05457	55.9
93.07037	18.6
95.05003	7.7
95.08592	12.1
105.07022	35.7
107.08587	6.9
109.06457	6.9
117.07011	29.6
119.08580	16.7
121.06522	8.1
121.10117	6.7
129.07008	8.1
131.08582	56.4
135.08109	14.8
145.06488	8.8
145.10141	14.0
157.10139	15.3
159.11679	100.0
163.07494	9.1
163.14874	7.7
173.13228	33.0
177.09106	6.5
183.11690	15.9
191.14333	18.1
201.12810	27.3
219.13782	93.4
219.17403	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	219.138
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
52.69620	2.9
55.05499	8.8
56.96556	7.2
57.03444	3.7
57.07072	3.6
62.88538	3.2
67.05491	32.6
70.53297	3.4
71.04980	8.9
74.62176	3.1
79.05490	25.2
81.07041	30.5
83.04992	5.3
85.02929	4.3
85.06570	3.9
91.05475	62.3
91.71061	5.1
93.07038	27.4
95.08583	9.5
105.07029	37.5
107.08556	9.6
109.06509	4.8
115.05457	5.2
117.07033	45.4
119.08566	21.9
121.06540	7.1
129.07034	14.7
131.08560	60.9
133.06503	10.2
135.08054	12.7
141.06995	11.0
145.10106	22.2
155.08549	8.2
157.10091	26.7
157.87016	4.1
159.11679	100.0
164.43987	5.0
173.13242	18.2
183.11703	16.4
191.14206	7.1
201.12729	38.1
218.35489	5.1
219.13783	74.1
219.17375	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1381
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
52.31289	3.4
54.99917	3.4
65.06020	3.5
66.79313	3.0
67.05483	16.4
67.15599	2.8
69.03432	4.2
71.04976	5.4
76.78671	3.5
79.05473	19.8
81.07057	21.9
83.04931	3.9
84.04516	4.8
85.02905	7.6
91.05470	32.9
93.07044	14.8
95.08616	5.3
96.87871	4.2
105.07024	34.5
107.04918	7.0
107.08603	10.5
115.05437	9.0
117.07022	45.1
119.08573	24.6
121.06556	7.1
121.10133	4.1
129.07034	11.4
131.08556	46.7
133.10153	7.1
135.08054	5.4
141.06956	8.6
144.09338	10.0
145.10133	23.9
149.09656	4.2
155.08580	7.5
157.10144	16.7
159.08084	5.2
159.11676	100.0
173.13251	23.0
177.09151	4.1
183.11670	15.9
191.14316	15.9
201.12741	23.1
203.14381	4.2
219.13799	60.0
219.17470	14.2
227.21663	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	219.1742
Annotation	Bisacumol
Peak:m/z	Relative Intensity
53.21850	4.5
55.05499	8.0
56.96556	5.8
57.07053	16.1
59.04990	11.1
67.05491	35.1
69.07052	11.0
75.80247	4.3
79.05479	20.1
81.07039	28.3
83.04971	7.4
85.06541	5.5
91.05460	25.0
93.07034	49.6
95.04948	9.3
95.08598	36.8
100.84185	5.0
103.05460	6.6
104.54280	4.7
105.07018	35.6
105.89132	5.5
107.04897	6.6
107.08601	28.4
109.06507	5.8
109.10143	54.2
115.05468	18.8
117.07014	17.2
119.08539	28.3
121.06566	6.6
121.10135	19.9
123.08065	6.4
128.06258	6.4
129.07004	37.4
130.07756	5.8
131.08548	51.0
133.10138	12.1
135.08093	7.5
135.11694	42.5
137.05951	8.4
141.06953	29.5
141.45135	5.5
145.06503	5.6
145.10130	46.1
149.13263	5.1
157.06476	14.1
158.07272	18.2
159.08015	14.7
159.11676	18.2
161.13260	8.6
163.11211	11.5
169.06520	10.1
173.13257	5.8
174.06775	48.4
175.07523	15.7
186.06870	15.5
189.09065	69.7
193.49127	5.7
201.09100	27.2
201.16330	33.8
203.14378	8.9
219.10124	79.6
219.13960	8.6
219.17403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(E,E)-2,9,9-Trimethyl-6-methylene-2,7-cycloundecadien-1-one
Peak:m/z	Relative Intensity
56.96562	11.0
56.96779	2.0
57.07070	13.3
61.86486	2.0
65.10831	2.5
67.05473	9.6
69.03390	10.1
69.07051	2.7
71.57545	1.9
79.05476	3.2
81.07008	8.5
85.06519	2.4
91.05433	3.5
91.71564	3.2
93.07034	7.6
94.05431	2.3
95.04953	3.6
95.08573	8.8
105.06994	8.1
107.08562	5.7
109.10126	10.5
112.48211	2.2
117.06986	6.1
119.08544	8.4
121.06468	3.8
121.10116	7.0
131.08540	7.6
133.10138	4.5
135.08028	8.3
135.11656	4.5
141.07028	4.2
145.10031	3.0
146.06036	4.4
146.58459	2.2
147.11661	2.4
151.11166	2.8
159.07982	3.0
161.09480	2.6
161.13156	3.7
163.11102	3.1
170.04924	2.7
174.06792	3.3
187.11122	2.9
189.09085	5.5
190.67299	2.6
191.08101	4.1
198.60109	4.2
201.09026	3.7
201.16353	2.7
203.14267	17.7
219.10086	4.7
219.14003	5.0
219.17407	100.0
220.96088	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	219.1743
Annotation	Bisacumol
Peak:m/z	Relative Intensity
52.09577	2.0
52.35480	1.8
52.97257	1.9
53.03934	2.3
55.05510	5.4
55.61077	1.9
57.07080	4.7
67.05492	46.2
67.05833	2.9
69.07053	12.1
69.55105	1.9
71.05000	2.9
72.73624	2.1
79.05495	8.1
81.07046	28.1
83.04980	2.6
83.08609	3.3
84.64834	2.3
85.02943	2.2
91.05455	13.4
93.07023	20.2
95.04985	4.0
95.08607	15.8
97.06534	3.4
105.07013	19.7
106.06493	2.5
107.08570	16.5
109.10146	100.0
113.07098	2.6
114.94334	2.9
117.07065	9.2
119.05081	2.2
119.08615	10.4
121.10160	6.0
129.07005	3.8
130.07770	3.8
131.08632	9.7
133.10188	7.8
135.11676	20.2
145.10114	17.1
146.06096	3.9
159.08018	2.7
159.11743	10.2
163.11250	5.6
173.13321	4.0
174.06779	3.8
178.08640	2.9
184.85489	2.2
189.09198	3.9
191.08224	4.2
201.16428	10.7
203.14330	4.2
213.96913	2.5
219.05728	3.6
219.08247	3.4
219.10281	7.6
219.13972	5.2
219.17407	40.5
219.19237	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	219.1743
Annotation	Bisacumol
Peak:m/z	Relative Intensity
56.25230	5.2
57.07057	20.4
67.05500	56.0
69.07057	12.8
77.73337	5.7
79.05484	13.7
81.07039	40.1
85.06554	6.8
87.31538	6.8
91.05459	19.5
91.71047	8.2
93.07007	38.3
95.08592	29.1
101.65852	6.7
105.07021	25.6
107.08588	20.3
108.60146	6.8
109.10146	100.0
117.07001	10.4
119.08570	15.2
121.10165	17.8
129.06979	7.6
129.36864	6.8
131.08560	15.9
135.11681	27.4
136.94046	6.9
145.10097	30.3
163.11128	7.9
173.13402	11.1
201.16376	31.2
203.14424	9.4
219.10049	7.5
219.13866	16.0
219.17386	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1742
Annotation	ar-Dihydroturmerone
Peak:m/z	Relative Intensity
51.04122	0.6
51.80903	0.6
53.00281	1.7
55.05500	1.4
56.96549	1.3
57.03424	1.3
57.07066	100.0
59.04968	0.8
59.71215	0.6
65.03930	0.7
67.05495	8.7
69.07039	2.2
71.04972	6.0
79.05456	1.8
79.97260	0.7
80.04987	1.0
81.03378	1.3
81.07050	5.2
83.04940	1.0
83.08631	0.9
85.06532	79.4
91.05469	6.0
91.61704	0.6
93.07037	16.1
95.04960	3.8
95.06676	0.7
95.08610	4.5
97.18542	0.7
99.55360	0.7
104.23633	0.7
105.07048	4.5
107.08585	8.4
109.06494	4.0
109.10147	4.2
113.09626	7.9
115.05478	1.1
117.06983	2.6
119.08530	4.7
119.32197	0.7
119.45333	0.7
121.10100	2.5
125.68402	0.9
127.11189	23.4
129.06996	1.3
131.08549	2.7
133.10150	1.6
135.11673	2.7
137.09607	1.1
145.10101	7.2
151.11185	11.6
159.08061	1.5
159.11697	1.9
161.13156	1.1
163.11179	2.7
174.06729	1.1
189.09085	1.9
189.23782	0.9
201.16412	3.8
203.14229	1.5
219.10080	1.8
219.13850	2.0
219.17413	52.6
230.10562	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(-)-Taylorione
Peak:m/z	Relative Intensity
52.28960	0.7
55.05500	7.0
57.07071	0.8
63.21962	0.9
65.03928	1.1
67.05496	5.2
69.03411	10.5
69.07057	6.4
78.65457	1.0
79.05482	8.7
81.07044	7.7
83.04970	15.8
85.39130	0.9
91.05470	9.2
91.51755	1.1
93.07048	3.6
95.08589	2.6
97.06508	1.8
105.07025	8.9
106.35174	1.0
107.08587	18.8
109.06507	3.8
109.10162	5.2
110.99261	1.0
111.08064	3.6
119.08566	5.5
119.70135	1.0
121.06464	1.2
121.10140	3.6
125.09619	100.0
131.08563	1.7
133.10170	2.1
145.10069	2.1
146.11954	0.9
151.11172	1.7
159.11653	5.2
161.13240	16.0
163.11168	1.8
201.13408	1.0
201.16353	2.9
207.82738	1.3
219.13828	1.8
219.17406	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	220.118
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
57.07053	6.6
59.04980	6.8
65.47048	1.9
67.05489	6.9
67.16824	2.1
69.07052	4.8
70.02937	6.9
72.04504	12.7
73.02903	2.7
74.75856	2.1
74.76694	1.8
85.06548	11.7
86.09696	1.8
87.08105	2.4
87.92437	1.8
90.05545	100.0
90.83172	2.0
91.65788	1.8
95.04987	5.1
96.08119	2.2
98.02417	13.2
103.07577	7.6
104.12018	1.8
113.05981	2.8
116.03431	11.4
119.68068	2.4
124.07581	15.0
142.08649	6.0
169.90926	2.6
174.11278	2.8
184.09718	16.4
202.10727	22.6
220.11803	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	220.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	4.9
59.04992	3.1
67.05482	6.9
69.07037	4.3
70.02950	6.6
71.43684	2.1
72.04509	12.1
73.02905	3.8
83.05007	2.0
83.47447	1.9
85.06542	8.3
90.05544	100.0
91.71649	2.9
95.04961	5.5
96.08092	2.3
98.02390	11.9
100.03960	2.1
103.07578	8.7
105.12908	2.1
116.03427	15.8
124.07598	17.3
130.43976	2.3
132.36292	2.1
142.08638	7.5
184.09691	13.1
202.10724	23.2
212.79884	2.5
220.11781	25.8
225.99893	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	220.1695
Annotation	Fabianine
Peak:m/z	Relative Intensity
53.67959	0.5
57.07051	1.0
67.05482	0.5
70.79897	0.5
72.04474	0.6
84.04489	1.2
90.05530	2.2
118.06534	11.6
132.08069	3.7
133.08795	1.0
134.09576	1.2
137.91180	0.6
146.09608	4.3
160.11160	0.8
162.09149	6.5
176.10777	3.5
176.14330	29.1
177.11412	1.9
190.12187	3.0
202.15862	0.9
205.15849	1.0
220.16942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29252	0.9
54.35973	0.9
55.01867	44.6
56.05037	4.9
56.96568	3.7
57.07062	2.1
59.23576	1.0
67.05503	1.8
69.07073	2.0
70.06582	5.9
73.02908	100.0
74.15745	1.2
80.04546	1.1
80.05003	1.1
81.07066	2.5
83.04995	1.2
84.04523	3.9
84.08155	2.6
85.02925	1.9
86.09726	3.4
87.04459	85.0
89.02409	1.3
90.05577	4.9
91.05460	2.4
93.07070	2.2
94.74592	1.1
95.04975	2.5
95.08617	2.9
98.97616	3.5
103.05496	1.3
105.05500	19.5
105.07041	3.0
109.05301	1.5
110.06053	1.9
110.07185	1.2
114.05523	6.1
116.98686	1.7
119.08602	2.5
120.08141	2.9
128.07085	3.4
129.10234	2.2
133.06528	1.5
133.10132	1.5
136.06201	1.5
140.00235	3.4
145.06607	1.6
147.04434	2.2
147.08092	3.5
157.07762	1.3
161.04596	1.7
161.06078	2.1
175.07500	1.6
176.07100	1.9
181.02881	3.5
181.15187	1.2
193.06944	2.0
203.07053	1.9
220.18343	1.4
221.09357	5.6
221.12447	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0807
Annotation	(+)-Cyclosordariolone
Peak:m/z	Relative Intensity
51.46552	1.9
51.62419	2.1
55.27245	2.2
56.96554	4.3
57.07073	5.3
57.14231	2.2
66.39183	2.3
70.87744	2.6
76.96055	2.5
81.59901	2.6
91.05470	11.0
93.07019	6.1
95.04939	4.1
103.05486	4.7
105.07014	9.6
107.04871	2.8
115.05460	15.9
117.07040	3.2
121.06491	36.0
128.06223	3.3
129.07014	7.4
131.04938	10.9
133.06464	8.3
143.04904	7.4
144.05690	36.8
145.06458	13.7
145.81090	3.3
157.06503	7.2
158.07286	4.6
161.05954	80.6
161.07310	4.0
175.07539	4.7
180.10172	8.5
203.07011	100.0
221.07988	20.2
221.11426	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0808
Annotation	2,6-Dioxo-6-phenylhexanoate
Peak:m/z	Relative Intensity
51.82288	1.3
55.01862	4.9
56.92791	1.4
56.96555	2.8
71.01358	1.3
79.05489	4.6
81.03430	1.9
91.05482	25.7
95.04976	5.1
95.08575	2.1
103.05456	2.5
105.03387	13.7
105.07032	14.1
107.04939	25.8
115.05477	3.5
117.07022	2.8
119.08559	21.3
119.09242	2.0
128.06178	2.7
129.07011	9.4
129.81599	1.9
131.04935	2.9
131.08601	3.3
132.05693	5.7
133.06497	22.6
134.84444	1.7
135.04442	2.4
141.07085	2.6
144.49442	1.9
145.06531	7.0
147.04411	4.0
147.08046	100.0
151.03893	32.5
157.06465	19.8
157.10176	2.0
159.04390	15.6
159.08046	4.1
161.05930	10.6
171.21696	1.8
173.34053	1.7
175.07539	32.7
177.09045	9.2
185.05933	8.6
187.82480	2.0
193.08565	15.9
203.07031	13.2
203.65189	1.8
221.07980	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	221.0922
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
51.90852	1.6
55.01852	1.7
56.96566	2.5
57.07074	2.3
60.95468	1.6
61.77265	1.7
70.06618	3.7
70.14579	1.6
71.05007	3.7
78.56880	1.8
82.02946	3.7
84.04530	2.5
86.09692	1.8
91.71735	2.2
94.06580	7.4
95.04956	3.3
95.39954	1.8
96.91785	1.9
103.05489	1.9
115.05518	2.2
120.81727	1.9
121.06507	4.1
130.06526	100.0
132.04454	56.2
132.05377	3.4
134.06038	7.3
143.07094	3.0
147.11487	1.8
148.07666	5.2
157.07608	54.4
158.06010	86.5
162.05566	7.0
175.08661	86.3
176.07053	3.9
186.05510	2.8
203.08186	27.7
204.06497	13.0
221.09221	16.1
221.12840	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	221.117
Annotation	CHEBI:68155
Peak:m/z	Relative Intensity
51.19108	0.8
55.01859	0.9
55.05514	1.1
56.96545	1.6
57.07067	100.0
59.04978	0.8
67.02099	0.7
67.05481	1.2
68.21997	1.1
69.07043	1.7
70.71525	0.7
79.05484	1.9
81.07022	1.5
84.04500	0.8
91.05482	3.9
91.05993	0.7
93.07023	1.6
94.20456	0.9
95.08565	2.0
105.07002	2.3
107.04932	4.3
107.08586	1.1
109.06513	2.6
119.04948	1.9
119.08569	3.3
121.10239	0.9
123.04431	1.5
130.71747	0.9
133.10117	1.7
135.04401	6.9
137.05975	2.7
147.11682	2.8
151.03951	2.4
157.10190	0.8
161.05963	1.2
161.09673	1.0
165.05435	1.3
175.11183	3.7
193.12239	3.4
203.10672	3.5
221.09541	1.8
221.11650	9.9
221.15211	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93837	1.1
55.01885	1.1
56.96302	1.7
56.96560	24.0
57.06803	1.9
57.07067	28.5
58.90679	1.0
59.09977	1.0
61.06498	1.1
63.15164	1.1
67.00705	1.2
67.05494	3.5
69.07043	1.8
71.04981	1.6
79.05476	13.8
81.03427	1.6
81.07040	4.2
81.70498	1.4
83.04970	4.6
85.06548	3.4
91.05479	4.1
93.07057	3.3
95.04945	4.8
95.08593	2.9
97.06479	1.2
97.99205	1.7
98.97566	40.6
105.07018	4.1
107.04942	2.3
109.06559	1.8
109.10172	2.5
115.24557	1.3
116.98609	38.8
119.08556	4.2
121.06452	1.9
121.10202	1.3
125.05977	2.3
133.10147	4.1
133.36095	1.3
134.99637	26.2
135.00616	2.1
137.06046	1.6
137.09607	3.4
140.00166	50.4
147.08081	1.6
147.11665	2.1
153.00710	4.1
158.01239	55.0
159.01637	1.3
161.09630	8.3
176.02315	5.9
181.02829	100.0
189.09113	5.3
199.03848	10.0
206.16280	1.9
221.09605	1.6
221.11719	5.3
221.15352	11.9
222.05519	7.9
223.05740	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	221.1535
Annotation	Oblongolide
Peak:m/z	Relative Intensity
55.05483	5.9
56.96564	29.2
57.07067	74.8
67.05486	12.3
69.07040	10.7
77.61443	4.3
81.07052	20.5
83.04955	6.4
85.06527	30.5
91.05444	21.4
93.07043	13.2
95.04960	5.9
95.08610	15.6
96.22317	3.8
97.06564	7.0
97.99178	5.1
98.97587	57.6
105.07026	14.3
107.08577	11.1
109.06512	6.2
109.10172	8.1
116.98634	44.1
119.08580	16.1
121.51410	5.4
123.08073	11.2
125.06017	16.7
133.10126	14.8
134.99641	30.8
137.09645	30.0
140.00172	49.8
147.11729	7.8
151.11189	12.2
158.01239	58.2
160.93138	5.3
164.41080	4.8
175.07364	6.5
176.07442	4.8
179.59996	4.6
181.02826	63.0
196.48900	4.6
199.03824	7.0
221.10818	6.1
221.15334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1535
Annotation	(1S-cis)-4-[2,2-Dimethyl-3-(4-methyl-3-furanyl)cyclopropyl]-2-butanone
Peak:m/z	Relative Intensity
56.51210	2.0
56.96555	14.7
57.07069	53.1
67.05481	9.5
69.07043	10.7
69.10120	2.6
71.04959	5.5
73.25171	2.4
79.05488	27.1
81.03370	2.5
81.07047	12.5
83.04954	6.2
85.06548	21.2
91.05473	14.1
91.71621	5.9
93.07016	7.3
95.04944	12.7
95.08595	12.9
97.06522	9.0
98.97582	32.7
105.07040	14.8
107.04935	4.6
107.08585	4.6
109.06487	5.1
109.10155	4.0
116.97968	2.3
116.98628	23.3
117.06995	5.3
119.08557	13.0
123.08050	8.7
125.05977	13.2
131.08556	2.7
133.10080	12.1
134.99646	14.6
137.09601	20.7
140.00192	31.8
143.08543	3.5
147.08028	5.4
147.11674	11.1
151.11165	9.8
152.30565	2.3
158.01263	27.6
161.09581	12.8
179.10670	2.6
181.02846	27.4
189.09103	10.2
199.03874	3.9
199.45030	2.8
203.14349	4.2
221.11929	4.2
221.15350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1535
Annotation	Oblongolide
Peak:m/z	Relative Intensity
55.05500	13.5
57.07047	8.1
62.58371	5.0
67.05493	25.0
69.07055	16.1
71.04989	5.8
73.73185	4.3
78.09607	4.4
79.05483	27.5
81.07040	36.7
83.04994	6.3
84.15253	4.2
85.02876	4.3
85.06542	5.6
91.05473	56.6
93.07033	34.3
95.04987	7.3
95.08595	19.8
97.06504	6.0
98.97545	8.7
102.14833	4.1
105.07021	99.9
107.08591	21.1
109.06522	18.6
116.98649	7.1
117.07007	7.5
119.08575	71.0
121.06483	7.1
121.10188	7.0
123.08063	10.8
129.07025	7.3
131.08569	10.8
133.06456	6.3
133.10117	34.6
135.08067	4.5
140.00194	5.9
143.08517	6.8
145.10088	5.8
147.08054	10.9
147.11748	6.1
151.07617	5.1
159.11723	16.5
161.09581	7.3
161.13258	100.0
165.09181	9.4
175.14850	15.1
185.13257	14.4
193.15900	26.9
203.14246	22.1
221.15359	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	221.1537
Annotation	Oblongolide
Peak:m/z	Relative Intensity
55.01876	3.3
55.05497	14.2
56.96563	17.4
57.07067	7.9
67.05498	16.4
69.07049	13.1
71.04973	6.3
79.05466	17.2
81.07053	23.6
83.04973	3.3
83.08582	4.9
91.05470	49.5
93.07028	25.5
95.04961	6.9
95.08617	19.6
97.06545	5.7
97.10135	3.1
98.97569	38.3
105.07026	100.0
105.07693	6.5
107.08585	14.6
109.06504	10.3
109.10166	4.8
116.98633	32.2
117.07042	7.1
119.08581	68.7
121.06467	4.6
121.10159	5.4
123.07999	5.7
129.06960	5.3
131.08528	4.8
133.06516	10.2
133.10136	22.4
134.99661	21.0
140.00186	33.0
143.08580	6.1
147.07990	14.9
147.11674	8.9
151.07497	5.6
158.01247	30.3
159.11714	13.4
161.09625	6.6
161.13243	71.3
165.09125	9.6
166.55827	3.3
175.14832	14.4
176.07031	3.8
181.02824	31.3
185.13205	8.2
193.15881	16.9
203.14316	17.9
208.88530	4.4
211.96088	3.7
221.15364	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	Oblongolide
Peak:m/z	Relative Intensity
51.64783	4.4
55.05499	16.3
56.96558	39.6
57.07070	14.0
63.20742	5.7
67.05508	26.3
69.07047	17.2
71.04987	6.5
74.71122	4.6
79.05472	23.6
81.07061	40.8
83.04972	6.0
91.05470	57.1
93.07037	37.0
95.08613	19.3
98.97578	98.0
105.07033	89.4
107.08608	18.6
109.06515	6.3
109.10172	10.2
116.98620	68.4
117.07050	11.3
119.08583	72.0
121.02986	6.0
121.10136	12.0
123.08055	9.0
129.07045	8.8
131.08601	8.1
133.06465	6.7
133.10139	37.1
134.99664	45.0
140.00194	87.6
147.08035	13.6
147.11707	9.8
158.01241	74.9
159.11719	16.8
161.09627	9.7
161.13251	100.0
165.09111	8.1
175.14832	18.0
181.02837	77.3
185.13390	10.4
193.15935	10.0
194.89275	5.8
199.03928	15.6
203.14340	22.9
221.09309	9.8
221.15341	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	Oblongolide
Peak:m/z	Relative Intensity
55.05494	14.3
56.84566	2.4
56.96537	3.0
57.07059	6.2
58.18768	2.7
59.15940	2.8
67.05499	21.2
69.07050	12.8
71.04962	5.3
75.41946	2.7
79.05494	24.9
81.07049	31.5
83.04972	8.9
83.08610	5.8
91.05477	56.3
93.07041	37.6
95.04952	7.7
95.08591	25.6
97.06532	6.5
98.97591	11.0
105.07028	100.0
107.08577	19.6
109.06502	6.1
109.10172	8.0
117.07049	11.4
119.08579	74.7
121.06486	7.3
121.10155	8.9
123.08039	9.7
125.58562	3.6
129.07002	5.8
130.26999	3.7
131.08562	6.9
133.06485	12.7
133.10117	29.7
143.08572	6.2
147.08057	15.1
147.11676	10.0
151.07518	11.3
154.12273	3.8
159.11685	16.2
161.09650	8.9
161.13245	93.5
161.14510	6.2
165.09106	10.6
175.11258	4.7
175.14891	17.2
179.10599	4.0
185.13263	9.9
193.15819	18.9
203.14384	22.8
221.15350	50.6
226.88846	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	221.1536
Annotation	Oblongolide
Peak:m/z	Relative Intensity
52.03827	3.8
55.05494	15.8
57.07059	8.4
67.05496	23.2
69.07057	19.8
69.76939	4.2
71.04974	7.9
79.05488	28.0
81.07050	35.6
83.04970	10.1
91.05478	72.8
93.07034	34.5
95.04959	10.8
95.08595	20.4
98.97589	6.9
105.07028	100.0
107.08585	19.8
109.06515	12.5
109.10156	8.5
116.98647	10.7
117.06994	11.7
119.08566	94.0
119.09364	7.4
121.06502	10.3
121.10160	13.6
123.08060	7.7
131.08562	10.2
133.06497	17.0
133.10152	30.3
140.00220	8.1
143.08521	8.7
147.08043	20.6
147.11656	14.4
151.07507	8.9
158.01282	8.9
159.11678	16.4
161.09613	9.4
161.13258	98.1
165.09113	12.3
175.14841	22.4
181.02826	10.3
185.13281	14.3
193.15852	11.4
197.04652	4.7
203.14365	22.3
221.15318	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	222.0012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51457	3.7
56.96571	7.7
61.16145	3.7
76.34680	3.9
86.09719	7.4
89.97746	4.2
90.80325	4.0
98.97605	13.3
113.83565	4.5
116.98665	13.1
119.01974	4.4
124.14556	4.7
132.39320	4.4
138.96469	7.0
140.00238	12.7
156.97464	100.0
158.01318	12.2
174.98518	84.8
174.99879	6.7
179.99074	92.2
180.00517	6.4
180.97427	6.3
181.02916	13.1
198.00096	43.6
198.98610	17.3
203.00648	53.6
203.02115	4.7
204.00890	9.8
216.99649	33.5
221.01816	12.9
222.00145	38.1
222.02283	5.9
236.67345	4.7
240.01178	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	222.1125
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
56.96542	7.9
60.04502	2.8
84.04448	2.0
88.45547	1.6
91.71553	2.0
95.04928	2.1
98.97578	27.7
103.05459	59.2
116.98616	20.7
129.79762	1.7
131.04921	100.0
134.99628	7.9
137.05998	13.6
140.00169	21.7
147.04382	3.2
148.07561	4.1
153.61121	1.9
158.01204	18.3
161.08270	3.3
163.07529	47.6
171.22287	1.9
172.07574	2.8
176.02341	1.9
176.07034	7.1
177.09064	2.1
180.10161	5.5
181.02853	19.0
189.07811	6.2
190.08603	4.9
193.25291	1.8
199.03995	2.2
204.06519	3.4
207.08835	8.1
221.38918	1.8
222.11230	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	34.8
57.07054	3.3
71.95248	1.6
78.21285	0.8
91.05466	2.4
93.61401	0.8
94.85107	0.8
97.99190	1.8
98.08613	0.9
98.97574	79.0
99.97950	1.1
105.07001	1.3
107.08600	1.0
116.00193	1.1
116.98618	62.9
119.08583	6.1
133.10100	2.3
134.99654	43.5
135.08017	1.5
137.09644	8.1
140.00185	80.6
141.00616	1.6
149.13222	2.0
153.00745	4.8
157.02838	1.8
158.01245	77.5
159.01520	1.9
161.09576	2.3
176.02296	7.6
177.11139	2.0
177.12733	58.3
181.02840	100.0
182.03215	6.5
199.03941	8.2
199.95677	0.9
222.05460	6.0
222.11314	1.6
222.14862	3.0
222.18474	12.0
225.81876	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0964
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
56.96543	2.2
57.06807	0.8
57.07066	9.5
58.57275	0.4
60.95824	0.5
65.03928	4.1
83.10233	0.4
93.03387	1.4
98.97562	3.3
99.97919	0.9
111.04392	1.1
116.98606	2.2
117.98907	0.9
119.08569	0.6
121.02850	8.9
121.03860	1.0
134.53419	0.6
134.99658	2.8
138.29739	0.6
140.00183	4.6
141.00534	1.6
146.84500	0.5
149.02325	100.0
158.01282	3.7
159.01578	2.1
167.03366	1.8
181.02820	8.6
182.03181	3.7
190.04980	8.1
199.03886	0.9
203.51627	0.5
222.05437	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1076
Annotation	Phe-gly
Peak:m/z	Relative Intensity
53.03932	0.7
55.01873	0.7
56.96559	5.6
57.03432	1.6
57.07054	0.8
67.05492	1.0
68.39719	0.6
69.03412	2.2
70.06569	1.1
71.04984	1.6
72.08133	1.2
73.02899	1.0
79.05473	1.7
80.04994	2.1
81.03410	5.9
83.04973	1.1
84.04496	3.0
84.08130	1.7
84.74548	0.7
84.96043	0.8
85.02898	1.7
86.09716	1.3
87.04443	0.8
90.05542	1.9
91.05476	1.7
92.05955	0.9
93.07039	2.3
95.04958	1.7
97.02862	1.5
98.97567	1.6
99.04472	1.1
103.05459	6.3
104.05782	1.7
105.07011	0.8
107.04940	1.1
108.04473	4.5
109.02875	3.3
111.04424	1.0
113.14030	0.6
116.98653	1.1
117.07012	0.8
120.08099	100.0
121.06533	1.9
123.04407	0.8
131.04883	3.3
132.05261	2.1
132.06844	0.8
137.06000	1.0
139.07512	0.7
140.00195	1.3
145.06482	0.8
145.07600	0.8
149.02351	3.4
149.05972	1.4
149.09619	0.8
151.07549	0.8
154.75966	0.6
158.01328	0.8
163.07497	1.3
164.07982	0.9
166.08629	17.4
167.07129	0.9
177.05414	1.2
177.10292	5.7
178.04968	2.0
181.02856	2.9
193.04919	0.8
200.02155	0.8
205.05042	1.6
205.09819	1.7
223.03854	1.5
223.05994	5.7
223.10915	4.8
223.14441	1.1
230.24158	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89143	0.8
56.95652	0.8
56.96563	1.2
58.02946	1.0
60.04508	1.5
65.71976	0.8
74.18914	0.9
75.42193	0.8
76.03994	54.3
77.03947	1.0
78.62531	0.9
79.05486	24.6
84.04505	1.0
91.05467	2.9
95.04965	2.0
103.05461	8.6
105.07030	2.7
106.06551	29.2
107.04946	100.0
108.05354	1.1
131.04919	31.6
148.07596	2.2
149.05954	6.4
164.07048	24.5
178.08693	2.0
203.75485	1.1
206.08229	3.1
224.09219	1.7
237.29918	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0917
Annotation	N-Acetyl-L-tyrosine
Peak:m/z	Relative Intensity
56.96558	1.8
58.02925	0.9
59.28986	0.8
60.04508	1.6
60.81844	0.6
76.03992	53.3
79.05481	22.0
81.03406	1.0
84.08151	0.9
86.09667	1.0
95.04941	1.8
98.97557	1.3
103.05459	8.3
105.07020	1.1
106.06546	28.9
107.04944	100.0
131.04915	32.0
148.07509	1.4
149.05928	4.9
164.07050	22.9
164.80878	0.9
178.08611	1.1
206.08134	2.9
224.09142	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1281
Annotation	Maokonine
Peak:m/z	Relative Intensity
53.11699	1.3
54.18721	1.5
56.14758	1.6
56.96556	6.9
58.06600	4.1
60.04516	2.6
67.05469	1.9
68.04990	1.9
69.03439	2.0
72.08138	4.4
72.90376	1.8
79.05492	6.8
80.05003	2.2
81.03415	5.3
84.08147	2.1
91.05474	12.2
95.04971	6.1
102.01063	2.1
102.01789	2.0
103.05458	12.9
105.07025	35.9
107.04964	4.9
108.04506	4.3
109.02854	3.3
111.04457	2.1
118.06536	13.5
120.08097	20.5
128.06229	6.5
130.06621	1.8
132.08139	3.4
136.07581	6.7
137.05983	3.7
140.89532	2.0
143.08588	3.9
143.38744	2.0
144.89101	1.9
147.97859	2.3
150.09132	3.4
160.07610	3.1
160.11203	100.0
166.43808	2.0
178.08707	6.9
178.12270	82.0
196.09706	2.6
206.08122	4.4
206.11769	13.6
224.09221	8.4
224.12833	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	224.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23554	1.2
50.58081	1.3
52.32902	1.5
55.01850	1.4
56.96548	5.5
57.03414	2.2
57.17483	1.2
58.06591	33.8
59.04985	1.3
60.04518	32.9
65.03930	1.7
66.11498	1.5
67.05482	2.4
69.03408	2.1
70.06606	1.8
76.07632	46.7
79.05483	18.2
80.04971	1.9
81.03401	4.2
81.52117	1.4
82.06552	1.9
83.04974	3.6
84.04478	2.6
84.08125	5.4
86.09701	2.1
91.05470	53.5
94.06564	1.8
95.04940	3.7
103.05475	1.8
105.07072	1.6
106.06548	3.1
107.04947	100.0
107.08572	1.5
111.04410	2.8
118.06541	4.8
119.04947	11.0
129.10234	2.7
131.04948	1.6
132.08070	2.1
134.40935	1.8
136.07578	7.5
137.05936	1.7
146.09650	1.7
147.04399	2.3
148.07614	2.5
149.05986	7.1
150.05394	1.8
150.09097	2.8
164.07048	2.9
164.10725	5.6
176.66467	1.6
178.08577	9.9
181.02814	1.8
182.08220	1.9
206.08104	7.5
224.09135	12.0
224.12796	14.7
224.31116	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	224.128
Annotation	Maokonine
Peak:m/z	Relative Intensity
52.25828	1.8
52.52522	1.5
55.89161	1.5
58.06596	12.2
59.06952	1.9
60.08157	100.0
66.20609	1.7
75.79098	1.8
76.83631	1.9
80.27009	1.7
80.33732	2.0
86.21281	2.0
91.05498	8.7
91.71069	4.2
94.96339	1.8
95.04966	33.7
95.87670	1.7
112.32280	1.9
119.04940	33.5
121.06516	3.0
123.04424	89.6
123.05293	4.6
137.49213	2.1
147.04396	25.9
151.53477	2.0
153.05783	2.3
165.05469	39.2
165.06702	3.2
224.12775	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57476	1.1
53.66972	1.3
57.13464	1.1
65.09205	1.1
75.42521	1.4
82.34970	1.3
100.02483	1.7
101.00871	18.4
119.01912	99.0
124.02419	13.6
137.02956	22.2
141.05112	1.9
142.03490	100.0
160.04535	18.7
160.49998	1.4
161.02930	17.6
165.05084	74.4
166.05414	1.6
170.55379	1.4
179.04007	18.1
183.06126	8.2
184.04543	27.0
188.82076	1.4
202.05576	17.1
206.07693	3.4
207.06210	2.1
225.07172	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	225.0758
Annotation	cis-sinapic acid
Peak:m/z	Relative Intensity
55.01854	4.6
55.05514	3.8
56.96556	4.5
57.03405	3.4
66.43104	2.6
67.05493	11.1
69.03416	13.2
75.46667	3.7
79.05481	11.8
81.03395	12.7
81.07054	7.0
83.04967	8.0
91.05467	18.2
93.07079	6.1
94.70094	3.9
95.04951	29.4
95.08599	9.5
97.02892	5.1
97.06495	5.1
98.97564	5.3
99.04471	4.6
103.03938	8.3
103.05460	5.4
105.07030	56.3
107.04958	7.2
109.06518	8.3
109.88165	4.2
111.04458	11.9
115.05433	4.6
119.01942	4.6
119.04954	13.3
123.08064	12.8
133.06483	41.7
137.05994	13.5
142.03503	11.4
147.03262	4.2
147.04453	10.7
151.07544	15.2
160.04512	4.1
161.05951	55.4
165.05461	44.0
171.06438	4.5
177.05386	4.6
179.07025	100.0
184.04558	5.2
189.05486	4.7
192.54939	3.9
195.06563	5.9
207.06560	14.4
225.07545	78.9
225.09607	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	225.1121
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
53.61845	2.1
55.01869	22.0
55.05484	2.8
57.03416	4.0
57.50600	2.8
67.05495	14.3
69.03425	6.7
71.04980	9.1
79.05494	11.8
81.07048	8.1
83.04970	28.2
83.52355	2.6
85.02898	6.3
91.05473	34.8
93.07047	12.0
95.04969	35.0
95.08566	7.4
97.06522	15.2
102.10996	2.8
105.07024	29.3
107.04951	9.7
107.08558	3.1
109.06511	15.5
111.04430	13.5
113.06010	8.1
117.06988	7.3
119.07784	5.2
119.08569	40.4
121.06494	4.8
121.10139	6.6
123.04420	5.1
123.08085	8.1
125.05978	13.9
128.06273	7.0
128.24489	2.9
129.07008	16.7
133.06531	5.3
133.10138	6.4
135.07925	3.9
137.06018	6.3
137.09578	16.1
143.08539	9.9
147.08049	58.8
149.09669	3.9
151.11174	7.1
160.72372	3.4
161.09619	40.1
165.09100	100.0
171.08020	4.6
179.10658	24.4
183.10126	4.7
189.09087	47.6
207.10141	68.5
225.11159	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1121
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
51.19781	2.4
55.01869	25.6
55.05501	4.3
56.33725	2.4
57.03414	5.1
67.05499	14.6
69.07064	3.0
71.04985	13.0
79.05483	12.0
81.03411	3.9
81.07021	13.9
83.04982	21.2
85.02909	3.6
91.05473	27.7
91.71696	3.3
93.07040	12.9
95.04963	28.2
95.08589	7.9
96.52840	2.6
97.02940	2.8
97.06541	20.3
98.12199	2.8
99.04443	6.8
103.40540	2.8
105.07030	26.1
107.04929	6.5
107.08575	3.9
109.06540	17.7
111.04436	13.5
113.06013	5.8
115.27271	2.7
117.07004	6.3
119.08569	43.2
121.10172	8.8
123.04416	5.7
123.08067	11.6
125.05963	15.5
128.06189	4.0
129.07028	16.7
130.04941	3.9
133.10124	8.1
137.06009	4.7
137.09636	23.3
139.03918	3.9
143.08553	12.5
147.08038	60.8
151.11214	8.5
161.09625	36.5
165.09103	100.0
171.08011	5.0
175.07518	5.7
179.10657	25.7
183.10092	5.1
189.09084	49.9
193.08656	5.6
204.16518	3.3
207.10143	68.8
207.13774	3.7
208.09715	5.4
225.07622	3.9
225.11160	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63366	1.2
52.05636	1.1
55.01866	2.1
56.96555	3.5
65.53931	1.2
67.05493	10.6
69.03412	13.2
73.02905	1.6
73.71127	1.3
74.73882	1.3
76.98997	1.3
79.05489	4.4
81.03410	6.3
81.07047	4.2
83.04959	2.6
85.02879	1.4
90.86884	1.4
91.05471	68.7
91.41352	1.4
91.71757	1.5
93.07019	8.0
95.04964	21.8
95.08603	6.6
96.05727	3.6
97.02883	52.2
97.06516	13.0
99.04452	5.2
101.95036	7.8
103.03912	2.5
103.05447	1.8
104.06195	1.8
105.07023	16.2
107.04947	2.9
107.08604	2.6
109.06538	3.3
109.10144	23.0
111.04474	2.8
116.06244	2.2
117.07023	9.0
119.01908	2.0
119.08573	86.6
119.96072	4.0
121.06474	2.1
121.10135	3.4
124.86475	1.7
129.06969	4.5
131.08513	1.9
132.05734	2.0
133.06520	2.6
134.40269	1.4
137.09615	6.5
137.97083	2.8
142.03528	3.5
142.97662	4.2
147.08040	100.0
153.05434	1.9
160.98671	6.2
165.05093	3.1
165.09105	26.9
165.10481	1.5
175.07538	50.9
178.99677	1.8
179.10699	2.7
181.01503	2.0
184.00305	6.8
193.08594	13.7
207.10130	7.4
211.09645	5.3
225.02933	2.1
230.64865	1.9
230.66969	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	225.1484
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
52.86812	0.6
55.05505	7.2
57.82701	0.6
59.73690	0.7
62.03323	0.6
67.05493	5.5
69.03439	0.8
79.05480	1.1
81.07021	1.6
83.04985	1.3
85.52088	0.7
90.27018	0.8
91.05473	1.1
91.71720	0.8
95.04942	1.0
95.08602	2.1
98.06220	0.7
98.90124	0.8
98.97569	0.8
105.06977	1.0
107.04895	1.7
107.08573	0.9
109.10166	4.8
114.70319	0.7
119.08544	3.7
122.07292	2.1
123.08068	2.0
129.86781	0.8
135.08069	3.4
137.09615	15.7
138.06778	1.5
149.09679	0.8
151.07538	6.6
152.08292	2.3
153.09102	13.3
165.09097	100.0
207.13770	10.3
225.14818	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	225.1486
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
50.14357	1.4
55.05501	6.2
56.96559	3.5
57.07059	9.2
59.04994	4.7
60.02060	1.7
65.24012	1.9
67.05479	4.9
69.03417	3.5
69.07057	7.1
69.32020	1.8
70.93600	1.6
71.01341	2.5
71.04987	47.4
79.05472	4.3
81.03413	5.6
81.07053	13.3
83.04964	6.4
83.08618	8.7
85.02925	4.7
85.06534	3.8
86.58959	2.1
88.46727	1.7
91.05459	5.5
92.03360	1.8
93.07036	5.6
95.04967	3.5
95.08614	13.7
97.06506	16.9
99.04455	100.0
99.08109	2.6
105.07023	8.0
107.08590	45.9
109.06511	26.9
109.10137	2.8
111.04471	2.3
111.11724	4.0
113.09650	5.9
119.08576	5.3
121.06503	2.0
121.10146	15.4
123.08078	21.0
123.11715	20.9
125.09615	6.2
135.11754	2.1
137.09695	2.1
137.13239	6.3
139.11183	4.7
141.12720	2.8
147.11673	9.0
149.09636	10.9
153.05585	2.1
165.12737	16.6
167.10667	23.1
179.14371	2.2
183.13791	43.9
189.12778	4.2
207.02852	2.2
207.13748	10.2
225.14828	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	225.1486
Annotation	Annuionone A
Peak:m/z	Relative Intensity
50.25517	0.9
53.83427	0.9
55.01847	1.0
55.05490	1.3
56.96562	8.6
57.07072	8.8
64.63763	0.9
67.05493	1.7
67.29388	0.9
69.03412	1.3
69.07040	2.9
71.04968	1.7
74.79282	1.1
79.05445	1.1
79.67115	0.9
81.07051	10.2
82.14577	1.2
83.04952	1.5
85.02888	1.1
85.06548	1.6
93.07013	1.4
95.08586	5.0
97.02930	1.0
97.06500	1.9
101.95011	1.8
107.29085	1.0
109.06512	4.1
109.10110	1.0
121.10102	1.6
134.68105	1.0
137.97202	1.1
142.97589	2.0
149.06001	1.3
149.09578	1.3
149.80243	1.1
160.98668	2.0
177.09120	1.9
184.00290	2.9
195.10062	2.4
210.12550	5.5
225.14841	100.0
233.11409	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	225.1485
Annotation	(6R)-vomifoliol
Peak:m/z	Relative Intensity
53.00310	6.3
53.03932	8.4
55.01851	11.4
55.05506	100.0
56.96550	20.1
57.03423	20.3
57.07071	13.4
59.04975	6.0
59.61132	6.3
65.03921	7.8
67.05501	33.6
69.03425	53.9
69.07057	25.0
70.06595	8.4
71.01376	8.1
71.04983	26.3
72.08141	32.2
73.02907	12.7
77.14691	5.3
79.05485	22.3
81.03424	29.9
81.07048	30.3
83.04974	73.7
84.04478	11.8
84.08108	10.2
85.02888	22.1
85.06537	50.0
86.09679	7.6
90.72243	5.5
91.05473	27.7
93.07026	22.6
95.04966	39.4
95.08606	54.3
97.02868	11.5
97.06523	17.2
98.06048	5.0
99.04453	20.6
103.03949	10.9
105.03387	6.7
105.07020	34.3
107.04925	34.4
107.08587	33.2
109.02908	10.8
109.06513	27.9
109.10147	47.0
111.04448	20.3
111.08092	11.0
113.06018	13.0
117.07075	9.4
119.01922	13.6
119.04961	7.6
119.08598	30.8
120.08123	10.0
121.06526	12.4
121.10129	27.5
123.04431	16.7
123.08051	27.4
123.11706	9.6
125.05988	11.9
125.09626	22.2
127.03964	6.8
131.04965	8.8
133.06477	7.2
133.07506	5.3
133.10141	16.8
133.74707	6.1
134.53575	5.9
135.08072	19.2
135.11679	8.6
136.06189	29.1
137.05991	11.3
137.09633	20.9
137.13239	20.9
140.00227	5.4
141.05429	5.4
142.03516	13.5
147.08061	9.9
147.11694	9.9
149.05983	7.1
149.09642	10.9
151.07538	18.6
153.09109	45.9
161.09680	13.4
161.13229	13.7
163.11168	21.1
165.05136	22.3
165.12758	6.9
167.10698	17.5
171.11653	7.5
179.10617	9.3
179.14296	7.2
180.06531	13.1
181.12331	6.2
189.09059	8.5
189.12747	11.3
207.02907	5.9
207.06406	8.8
207.10155	13.5
207.13686	26.7
225.11108	15.4
225.14926	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	3-Buten-2-one, 4-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-
Peak:m/z	Relative Intensity
55.05517	8.1
56.96569	6.5
57.07074	6.6
59.04989	4.8
67.05510	7.2
67.11731	2.0
69.03452	2.9
69.07081	10.1
70.72735	2.0
71.01379	2.9
71.04980	45.6
79.05507	7.3
81.03415	3.7
81.07047	13.1
83.04978	5.9
83.08635	10.0
91.05502	5.3
93.07061	5.7
95.04998	4.6
95.08594	13.6
97.06533	18.7
99.04445	100.0
105.07045	7.6
107.08589	44.2
107.09257	2.7
109.06513	32.8
111.11720	3.1
113.09684	4.0
119.08647	3.6
121.10128	19.8
123.08054	17.7
123.11714	17.1
125.09659	7.4
126.85126	2.1
132.69365	3.3
135.11722	2.9
137.13312	6.3
139.11230	5.1
147.11749	8.5
149.09634	12.1
161.13306	3.0
165.05193	3.3
165.12743	14.8
166.55154	2.0
167.10677	28.0
167.11946	2.3
176.58206	2.3
183.13811	41.8
189.12793	5.8
207.13708	12.7
225.14798	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.1
60.95826	1.8
63.93861	1.1
65.03919	3.6
67.08295	1.1
68.49099	1.1
77.03906	1.6
79.05484	38.8
89.77708	1.2
91.71593	1.6
92.04986	2.1
95.04951	13.8
97.75815	1.2
102.96840	3.6
105.04469	2.2
107.04942	56.0
118.06534	1.5
119.42029	1.6
120.05577	67.8
120.97845	2.7
126.51786	1.3
134.39967	1.3
138.98935	2.0
142.20213	1.2
143.99452	1.5
145.07635	1.2
148.07565	5.8
154.06525	3.5
155.07272	2.2
161.02002	1.5
162.00500	1.9
180.08063	2.2
183.06793	9.9
185.02162	5.1
197.08249	1.5
226.09729	100.0
238.53548	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02949	0.6
64.99453	0.3
65.03934	1.8
67.88339	0.3
72.31978	0.3
75.70846	0.3
77.27326	0.3
88.72616	0.3
91.05472	100.0
92.05799	0.3
102.96869	0.9
106.06588	0.3
120.97898	0.9
128.60991	0.3
132.08115	0.7
138.99010	0.3
143.99466	0.7
148.07578	3.8
158.28874	0.3
162.00511	0.6
166.07785	1.0
171.84804	0.3
181.10112	4.0
181.95456	0.3
185.02141	0.4
193.66376	0.3
210.72583	0.3
226.12256	7.2
243.94824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1065
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
51.50301	8.1
52.11544	9.1
57.84287	9.0
70.59702	10.3
76.82034	9.1
81.07040	17.0
82.79066	9.5
90.38801	12.3
95.01308	100.0
95.04907	15.3
126.74562	14.1
143.08546	21.5
145.06561	14.7
157.06491	14.1
159.07993	26.2
159.50249	12.6
166.07773	28.7
169.06462	15.2
171.08073	12.8
181.10089	18.0
183.08107	24.6
184.08824	20.3
199.11234	45.7
209.09744	24.4
223.26190	14.1
227.10620	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01861	6.7
55.05492	31.0
56.96550	21.0
57.03421	27.1
61.92486	5.6
64.74365	7.2
67.05485	32.2
69.03414	22.4
69.07056	20.9
71.01331	7.1
71.04969	21.6
73.02897	15.6
77.95496	6.1
79.05476	25.9
81.03393	17.3
81.07048	64.1
83.04965	28.5
83.08595	16.0
84.04487	8.0
84.08138	49.3
85.02892	27.4
86.03673	8.4
86.06072	8.7
86.09673	13.3
91.05461	31.3
92.05759	7.3
93.07039	100.0
95.04958	31.1
95.08595	31.0
97.02879	30.4
97.06554	14.5
98.97587	12.2
99.04466	24.5
100.11256	60.1
105.07021	61.2
107.04967	12.1
107.08581	90.6
108.57000	7.4
109.02868	12.4
109.06490	13.5
110.07233	9.0
111.04447	19.2
111.08073	46.4
117.07063	11.1
119.08598	24.3
121.00883	6.9
121.06455	9.6
121.10136	45.9
123.07986	11.2
125.09624	12.9
127.03921	10.9
131.08595	14.1
135.08043	11.0
135.11694	74.0
140.00244	8.9
145.10121	83.3
147.11671	26.8
149.09615	17.1
149.13242	10.5
151.07497	12.8
158.62341	7.7
162.03392	12.3
163.01790	10.2
163.11160	87.4
167.04845	14.7
173.13225	11.3
181.02875	22.7
181.12234	15.7
186.03345	72.9
191.10634	52.5
204.04486	14.6
209.11765	13.1
209.15305	10.3
218.70462	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.31992	2.6
55.01856	6.9
55.05499	11.4
56.96568	4.5
57.03425	11.6
57.07072	3.8
67.05497	44.9
69.07055	8.7
71.04979	7.8
77.03908	4.0
79.05482	44.9
81.03394	5.5
81.07045	62.3
83.04968	19.7
83.08620	3.8
84.04492	4.1
84.08134	9.7
85.02911	5.5
86.09698	5.4
87.30851	3.2
91.05472	35.4
93.07033	58.4
93.07569	5.9
95.04958	23.2
95.08605	10.6
97.06515	17.2
99.08097	4.7
100.11266	11.0
101.06101	4.2
101.80702	3.2
105.07011	28.6
107.04942	31.5
107.08582	34.5
109.06519	11.8
109.10167	6.3
111.04440	4.6
111.08060	7.8
113.06006	4.8
117.07023	14.6
118.45285	3.3
119.08578	25.2
121.06500	16.1
121.10135	100.0
123.08009	4.4
123.11718	5.7
125.09657	7.6
127.07581	3.8
129.06953	8.3
130.07782	3.5
131.08540	24.9
133.06503	3.5
135.08049	6.5
135.11693	17.6
137.09613	5.2
145.06458	7.2
145.10100	53.8
147.08125	5.6
147.11661	14.3
149.09546	20.2
151.11217	5.5
155.08549	40.2
163.11182	46.8
167.10538	3.5
173.09592	50.2
173.13232	5.9
181.12180	27.7
182.15343	4.8
186.03430	9.4
191.10634	92.2
191.12204	5.8
209.11754	7.7
209.15346	17.1
227.12875	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	227.1278
Annotation	(?)-12-Hydroxy-jasmonic acid
Peak:m/z	Relative Intensity
53.03930	3.0
55.01844	9.4
55.05274	2.3
55.05497	19.8
56.96550	5.1
57.03410	3.1
57.07045	11.6
58.21326	2.2
61.91645	2.0
66.48340	2.3
67.05495	25.2
69.03403	4.7
69.07066	15.9
70.17361	2.7
71.04948	4.8
71.08607	10.8
76.64773	2.5
79.05093	2.6
79.05489	31.8
81.03378	6.8
81.07052	33.4
81.07495	5.2
83.04961	6.3
83.08613	14.1
84.08121	4.1
86.06064	2.4
91.05459	17.9
91.71622	3.8
93.06483	3.8
93.07032	53.0
95.04969	14.6
95.08594	62.0
97.02861	8.5
97.06487	3.2
98.97550	11.0
98.98128	2.4
99.04433	5.0
100.11209	3.6
105.07020	11.7
107.04958	16.0
107.08575	37.3
109.06478	4.1
109.10110	4.2
111.04427	3.5
111.08064	2.8
116.65800	2.5
116.98607	7.1
117.06998	13.8
119.08591	14.1
121.06493	6.8
121.10139	17.4
121.31911	2.3
125.05956	6.1
130.07761	3.1
135.08049	4.7
135.11682	78.4
136.78627	2.8
139.07516	5.2
140.00125	4.6
143.08435	3.2
145.10118	37.3
153.12772	3.3
158.01190	2.9
158.99638	5.1
161.20113	2.6
163.11168	91.0
181.02716	6.2
181.12279	19.6
185.22575	2.6
186.03391	11.1
200.02304	9.5
209.11650	3.3
227.10690	4.3
227.12737	100.0
228.17401	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	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
51.07512	5.8
51.67664	5.7
52.11143	6.2
53.03934	6.3
54.12894	6.7
54.27018	6.1
55.01847	10.2
55.05513	37.8
55.05725	8.1
57.03419	22.7
63.51489	6.6
64.85792	7.3
67.05490	25.8
69.07063	100.0
70.35372	6.9
71.04981	19.3
77.17637	8.0
79.05484	16.7
81.07047	51.4
83.04963	21.7
83.08593	25.9
84.08117	8.5
85.02896	24.0
85.06528	12.4
86.09699	46.6
87.04432	12.2
91.05464	22.7
93.07030	35.8
95.04945	10.4
95.08608	26.0
97.06525	20.8
97.10150	10.4
99.04430	11.2
99.08086	13.4
100.11252	39.4
105.07045	19.0
107.08578	44.2
109.06508	16.7
109.10153	33.7
113.09648	8.3
119.08589	8.7
121.06512	12.0
121.10150	58.8
123.04426	7.6
123.08060	12.5
123.11701	20.2
125.09623	27.0
127.22663	7.9
131.08606	11.9
133.10120	24.1
135.08067	14.0
135.11681	25.1
137.09659	20.5
137.13249	8.1
139.11154	14.4
144.02444	8.5
145.10162	9.7
149.05978	12.3
149.09647	16.9
149.13275	14.5
151.11224	25.8
153.09087	9.5
153.12752	9.4
163.14838	21.1
167.07014	48.6
172.25499	9.2
173.13274	12.8
181.02870	17.4
186.03476	30.7
191.14255	19.8
209.07904	9.9
209.15279	84.9
227.16302	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
50.66373	5.6
54.36925	5.1
55.05510	39.7
56.64270	6.1
57.03418	22.1
57.07057	12.0
59.04953	6.4
67.05496	17.7
69.03418	15.9
69.07055	100.0
71.04985	19.7
79.05470	16.9
81.07042	48.2
83.04982	21.2
83.08605	27.1
84.08138	10.4
85.02901	32.6
85.06526	17.2
91.05460	15.5
91.52464	6.4
93.07056	44.2
93.86109	6.6
95.04969	15.1
95.08601	46.7
96.33252	5.8
97.06510	17.8
99.04389	7.9
99.08066	9.0
100.11240	34.2
105.07017	21.6
107.08598	69.1
109.06534	16.3
109.10148	45.5
111.04402	8.3
111.08100	21.8
113.09647	15.0
113.64772	7.7
117.04432	7.3
119.08575	8.8
121.10139	77.5
123.11674	34.2
125.09644	28.6
127.07516	17.7
133.10158	30.2
135.08051	18.2
135.11717	35.4
137.09621	20.0
137.13268	9.6
139.07524	14.2
139.11169	16.4
141.06987	9.6
145.10059	8.8
146.52737	7.3
149.09627	32.2
149.13255	20.0
151.11191	40.3
151.88841	10.3
153.09094	24.2
153.12788	19.3
155.07062	7.3
155.08542	7.7
155.10652	8.9
156.09322	66.3
163.14780	37.7
165.12737	8.8
167.07077	9.1
167.14281	15.1
171.11688	49.1
173.13223	18.9
184.08870	9.4
191.14297	55.5
199.11197	48.7
209.15335	99.3
227.10684	17.7
227.16281	97.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
52.12954	5.3
53.00266	5.1
55.01855	9.0
55.05495	33.8
56.96552	26.1
57.03418	22.1
57.07058	13.8
59.04981	8.0
65.03950	6.7
65.19740	5.1
67.05508	38.7
69.03427	45.8
69.07051	32.6
71.04983	20.6
71.13606	5.3
73.02922	7.4
73.33610	5.7
74.69012	6.4
79.05476	34.8
81.03402	9.5
81.07057	42.5
83.04974	33.1
83.08611	16.6
84.04495	13.2
84.08143	20.9
85.02915	10.0
85.06535	16.3
86.09699	22.6
91.05463	42.6
93.07030	75.8
95.04951	100.0
95.05527	5.9
95.08600	33.3
96.05300	6.1
97.02884	18.5
97.03977	11.9
97.06520	28.1
97.10165	12.5
98.97559	13.1
99.04466	17.9
99.08083	28.5
100.11255	51.6
105.07032	85.3
107.04948	21.7
107.08593	49.7
108.81407	5.3
109.06510	28.4
109.10149	17.3
111.04442	21.7
111.08089	53.1
113.06023	8.2
115.07550	10.1
116.98635	8.1
117.07044	13.4
119.08560	26.0
121.06488	9.7
121.10143	47.9
123.04410	8.9
123.08059	14.4
124.07651	6.5
125.05981	8.9
125.09626	80.5
130.04993	8.8
131.08598	13.7
133.06511	8.5
133.10141	45.5
135.04433	7.7
135.08064	15.5
135.11707	19.6
137.09628	10.8
139.11209	8.4
140.00209	8.5
145.10098	89.6
147.11720	11.7
149.09641	44.2
149.13278	10.3
151.11179	24.0
153.09105	29.7
163.01801	7.9
163.07503	10.5
163.11163	28.2
163.14824	9.4
165.05447	7.7
167.07048	18.9
173.09615	8.8
173.13295	15.5
181.02930	10.6
181.15836	7.8
186.03398	40.5
191.10638	67.7
191.14304	20.8
200.02405	6.5
209.08105	21.5
209.11786	17.7
209.15332	38.8
210.00809	7.0
227.08482	57.9
227.10495	15.2
227.12686	12.9
227.16528	30.1
241.32352	6.4
249.47498	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	227.1753
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
55.05293	1.0
55.05507	12.8
63.22396	0.8
67.03909	0.9
72.14828	0.8
76.32709	0.9
78.78090	1.1
83.08611	7.3
90.12035	1.0
96.84997	1.1
100.11251	100.0
101.01402	0.9
102.92935	1.0
131.89087	1.1
139.08612	1.2
142.43051	1.1
163.04063	1.1
178.67955	1.2
188.78481	1.2
209.16481	13.9
219.39059	1.1
227.17538	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	228.1747
Annotation	erythrinan
Peak:m/z	Relative Intensity
54.40429	0.7
54.98529	1.2
67.05489	0.7
69.07021	0.8
79.15006	0.7
81.06998	0.8
85.03734	0.7
88.92439	0.9
119.07565	0.8
132.12822	0.8
156.08093	1.2
170.09628	1.7
171.10480	1.4
184.11266	2.2
198.12796	1.5
212.14330	30.7
213.15146	4.4
228.17462	100.0
236.00433	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97815	1.8
55.05501	28.9
56.60898	1.7
56.96537	2.6
57.07059	3.9
67.05496	66.6
68.44102	1.7
69.07054	27.1
71.04979	7.3
79.05484	4.0
81.07048	55.5
81.56174	2.0
83.08612	40.0
85.06525	4.4
91.05476	7.3
93.07034	15.8
95.08596	100.0
97.06522	7.3
97.10175	18.5
105.07021	5.3
107.08588	5.3
109.10152	54.5
111.08082	4.1
111.11724	3.9
119.08575	13.0
121.10128	5.3
123.08054	3.5
123.11737	3.4
129.09166	3.1
133.10109	12.0
135.11734	3.4
137.09650	5.6
147.11682	6.0
149.13278	4.8
151.14832	4.2
151.19736	2.6
175.14810	32.7
175.16193	3.4
190.38501	2.1
193.15848	20.2
211.16992	5.1
213.30560	2.3
228.19597	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	228.2686
Annotation	n-Pentadecylamine
Peak:m/z	Relative Intensity
50.05398	0.5
55.05481	0.5
56.96538	0.6
57.06754	1.5
57.07068	8.3
58.06581	2.8
60.08158	33.5
67.05489	0.8
67.24837	0.5
69.03410	0.6
71.08611	2.7
71.73135	0.5
82.06158	0.6
85.10175	1.5
102.64307	0.6
144.80779	0.6
145.53021	0.6
188.32704	0.7
228.26848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58680	3.2
50.59668	3.2
52.11494	2.8
53.68703	2.7
56.05030	4.7
62.64771	3.2
63.87371	2.7
64.77702	3.1
65.33736	3.2
72.64317	3.3
77.05097	3.3
82.01440	4.1
83.06065	6.1
84.04510	26.9
84.08122	7.6
91.71612	3.6
100.02487	5.4
102.04047	14.3
106.49311	3.4
118.03500	21.3
119.01914	15.2
120.05103	6.3
123.04047	8.2
124.02407	4.5
125.05623	16.4
136.04565	15.5
137.02985	5.3
138.89450	4.3
141.05093	36.0
142.03519	24.6
143.06610	22.8
155.06648	3.8
159.05092	3.7
159.06160	22.2
160.04555	14.1
161.07764	12.9
164.06705	16.9
165.05093	21.0
166.03546	5.6
166.08276	7.6
167.06813	6.5
168.05164	6.2
182.07736	27.3
183.06186	14.8
184.04544	69.9
184.06088	5.1
184.09325	31.9
187.05710	10.6
202.05566	17.9
205.06708	6.0
206.07722	13.9
207.06122	61.9
207.07944	4.9
207.21758	5.2
209.13263	4.1
210.07309	56.9
211.05620	18.7
225.07213	38.0
228.08267	6.0
229.04507	9.1
229.06673	100.0
229.08810	6.0
248.06224	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	229.1224
Annotation	Bisphenol A
Peak:m/z	Relative Intensity
52.63167	0.9
57.07053	2.3
60.08154	7.3
60.82891	0.8
61.60476	1.0
61.96869	0.8
64.25656	1.0
66.52901	1.1
67.44484	1.3
70.01129	1.0
79.05472	1.4
81.07063	2.6
86.79353	1.1
91.05469	4.9
91.71040	1.4
95.04966	2.0
105.07033	2.3
107.04935	3.8
115.05413	2.8
117.06994	4.1
128.06224	2.8
129.06975	5.7
130.07742	1.1
131.04901	4.4
131.08524	6.2
132.05766	1.4
133.06503	1.2
141.06984	2.2
142.07726	1.3
143.08540	2.5
145.06480	4.4
157.06464	9.1
158.07268	5.0
159.08054	2.1
168.09338	1.9
171.08002	2.2
186.06757	6.3
186.10422	2.5
187.07570	2.0
201.12761	4.7
228.26863	17.8
229.12224	100.0
229.27240	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	229.1223
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
53.60089	6.6
55.05503	10.3
56.96555	20.9
59.04981	7.4
67.05504	18.0
68.67787	7.1
68.73095	6.8
81.07058	12.4
84.43771	8.4
91.05486	35.5
91.71043	9.5
93.07052	20.0
105.07036	29.1
109.10127	17.8
111.53572	9.3
115.05495	19.8
117.07009	18.9
128.06241	27.7
129.07016	18.0
131.08611	17.9
138.83687	8.3
141.06960	21.1
142.07777	33.1
143.08557	55.6
145.06497	65.6
153.06993	22.7
155.08549	60.9
157.10104	48.4
159.07996	13.5
168.09328	64.6
169.06520	19.7
169.10112	13.5
169.87939	10.1
170.10851	10.4
173.05930	22.8
183.11671	100.0
187.07613	18.3
201.12816	18.2
211.11157	21.3
229.12206	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	229.1222
Annotation	Myrrhone
Peak:m/z	Relative Intensity
50.18407	4.5
52.84840	4.3
55.01870	14.1
55.05523	7.6
67.05478	4.9
69.03439	8.1
70.39826	5.5
71.49790	5.8
75.33463	5.3
75.56309	4.9
78.52578	5.9
79.05498	5.9
81.03408	46.9
81.07061	15.0
91.05495	24.5
93.07053	10.3
95.05014	10.0
97.02888	10.7
105.07058	17.3
107.08649	5.4
108.98582	5.6
115.05476	9.8
117.07058	8.9
119.08645	8.3
121.06510	8.1
128.06262	14.9
129.06950	10.0
131.08577	30.5
133.06531	11.2
141.07042	11.3
142.07811	8.6
143.08604	23.0
145.06462	30.8
145.10097	7.1
147.08112	18.6
155.08609	20.3
157.10234	10.8
159.08102	17.3
161.09659	6.4
167.08670	8.5
168.09427	14.8
171.08174	10.9
173.06070	15.4
181.06592	10.3
183.11664	53.3
187.07637	14.0
187.11169	6.3
193.10124	6.9
201.09251	5.9
201.12744	33.4
211.11169	13.3
211.77486	6.5
225.53922	6.0
229.12184	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1223
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
56.96560	16.7
59.04973	13.8
67.05510	16.5
77.70292	12.2
78.59414	12.6
91.05486	14.0
91.71648	14.5
93.07013	15.4
105.07072	25.6
106.44006	11.9
116.09176	12.6
119.33926	13.8
120.57462	15.0
123.67741	12.6
128.06210	36.2
131.08549	19.9
141.06987	23.0
142.07809	33.7
143.08536	49.0
145.06511	35.6
146.91846	13.1
153.07014	22.2
155.08560	51.2
157.10121	30.5
168.09360	46.4
169.06538	22.0
183.11661	100.0
211.11024	27.9
218.08636	15.0
229.12245	97.2
237.25858	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	229.1223
Annotation	Furoixiolal
Peak:m/z	Relative Intensity
53.03913	4.9
53.73859	4.6
57.87884	5.0
59.38866	4.6
67.05499	9.5
69.03413	7.9
73.29347	4.9
74.87003	4.8
75.72736	4.7
75.98533	5.2
79.05436	5.5
81.03383	11.6
81.07026	11.4
91.05469	22.8
95.01317	100.0
101.61861	5.3
105.07011	6.2
117.07055	7.2
119.08586	7.3
129.07001	10.7
131.08517	12.4
133.06459	6.3
133.10118	5.3
141.06947	6.7
145.06451	13.6
147.08080	9.5
155.08530	9.5
159.08087	15.5
159.17615	5.6
161.09579	8.2
171.08086	6.7
179.69518	5.5
187.07564	6.6
196.08833	6.9
201.12827	13.0
229.12212	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1223
Annotation	Mansonone C
Peak:m/z	Relative Intensity
50.87693	6.6
55.01877	6.7
56.96547	14.5
67.05487	26.4
69.03405	15.0
69.07064	9.7
70.06577	27.0
76.97203	8.6
79.05500	17.2
81.07049	19.3
86.09719	9.7
86.37722	8.3
87.50725	7.8
91.05457	20.2
93.07061	11.4
95.04954	15.0
102.33936	7.3
105.07029	17.1
107.08627	9.6
112.87596	8.1
117.06979	11.4
128.06221	13.5
129.06920	17.4
131.08560	30.5
133.10130	10.3
142.07748	11.6
143.08546	21.0
145.06482	8.4
145.10020	13.9
153.06958	20.2
153.50830	8.8
154.06271	8.1
155.08594	20.4
159.08011	12.4
159.11653	16.2
163.09322	9.9
167.08485	9.3
168.09398	31.8
173.09718	10.4
173.13266	21.9
181.06448	14.1
181.91782	8.4
182.70299	10.1
183.11736	35.8
187.11189	30.4
196.08858	45.8
201.12654	59.7
211.11131	100.0
228.22037	9.6
229.12219	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78802	0.5
54.57748	0.5
55.05497	0.7
55.96133	0.5
57.07061	0.7
67.05172	0.9
67.05497	11.9
69.07059	12.6
71.04984	3.7
79.05485	0.7
81.07051	5.1
81.31309	0.6
83.08569	0.7
91.05474	1.2
91.70955	1.2
93.07030	2.2
94.66322	0.8
95.04959	8.6
95.08601	5.6
105.07000	1.8
107.08603	1.7
109.10148	100.0
119.08571	4.4
121.06497	2.1
123.11696	10.2
127.07549	0.6
127.11182	34.4
128.06165	0.9
133.10133	5.5
137.09607	7.5
139.07579	1.3
143.08572	1.2
151.11209	2.3
155.10617	3.1
161.09596	6.9
173.11713	6.7
179.10661	9.9
183.13972	0.8
197.11716	9.0
211.13315	1.5
213.14725	1.5
229.11923	0.7
229.17786	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	229.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65532	0.7
51.01733	0.7
51.90649	0.8
53.24351	0.7
58.06587	6.9
59.07362	1.5
60.07914	0.9
60.08154	9.6
68.05010	1.5
70.06582	48.3
73.89180	1.0
77.55923	1.0
79.87874	0.9
96.08073	1.5
114.05492	3.7
114.09158	1.9
121.35178	1.0
124.07542	4.2
124.62764	0.9
125.03399	0.9
126.09175	0.9
139.81398	1.0
142.08612	36.2
170.08105	1.8
229.15440	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39012	0.9
58.06581	9.4
58.48059	1.1
59.07375	1.3
60.08147	11.2
66.76145	1.0
68.05009	1.5
68.72400	1.1
69.04621	1.1
70.06581	52.0
88.76425	1.2
93.59930	1.2
96.08102	2.8
98.05962	1.7
114.05501	5.7
114.09119	2.2
116.07072	1.5
124.07562	3.8
125.51924	1.4
138.98360	1.3
142.08626	43.1
142.09755	2.2
170.08134	1.5
205.98203	1.5
229.15448	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1545
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
52.91775	1.0
58.06583	8.5
59.07364	3.0
60.08156	11.0
67.54166	1.5
70.06580	50.4
70.22773	1.1
86.46251	1.2
96.08129	2.0
98.06052	1.5
106.93128	1.3
114.05497	5.3
124.07592	2.8
142.08624	36.7
148.08585	1.4
170.08046	1.8
200.38678	1.4
213.95468	1.4
229.15453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1799
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
55.05511	18.9
56.96543	9.6
57.03423	7.0
57.07052	7.9
58.06594	3.9
67.05490	22.7
69.03413	14.2
69.07052	14.1
69.07430	3.6
69.17342	3.8
70.06590	10.1
71.04987	6.1
72.55928	3.9
73.61279	5.1
79.05505	6.7
81.03419	6.1
81.07046	27.4
83.04987	10.1
83.08591	11.8
85.06537	13.8
86.06064	5.4
86.09706	10.4
91.05462	16.3
93.07050	26.5
95.04943	6.4
95.08591	37.2
97.02878	5.0
97.06513	6.3
99.08101	23.1
105.06985	19.6
107.05006	4.2
107.08587	34.0
109.06538	6.1
109.10155	65.2
117.06927	5.2
119.08579	45.8
120.08005	3.9
121.10123	33.5
123.08057	11.4
123.11699	16.3
125.09599	19.6
131.08618	6.9
133.10120	100.0
135.11693	53.8
137.09616	14.2
137.13217	6.2
139.11166	7.3
145.10094	4.8
147.08022	4.6
149.13243	6.6
150.36163	4.7
151.11153	6.7
163.14801	6.9
165.16325	9.8
175.14816	59.3
183.11673	4.9
193.15868	37.4
211.17039	19.4
229.17999	8.2
234.69986	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	229.1798
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
54.74526	3.8
55.05495	18.1
56.96544	4.7
57.03417	8.5
57.07049	4.5
67.05497	28.0
69.03427	4.5
69.07052	24.3
70.06582	10.9
71.04967	5.2
72.08142	6.2
79.05471	6.6
81.07040	39.2
83.04957	13.2
83.08608	10.9
84.04486	4.0
84.08112	7.6
85.06537	13.0
86.06060	4.6
86.09695	13.3
90.64819	3.2
91.05481	12.3
91.71644	7.4
93.07051	27.5
95.04920	5.4
95.08595	47.6
96.64185	3.7
97.10140	4.0
99.08089	25.8
99.90301	3.5
105.07009	20.0
107.08601	50.3
109.06520	7.1
109.10148	75.0
111.08089	4.9
119.06010	4.2
119.08586	42.7
121.10124	38.7
123.08088	12.0
123.11653	25.9
125.09639	16.4
127.11186	4.5
128.22821	4.6
129.10266	5.7
133.10123	100.0
135.11693	72.2
137.09563	18.5
137.13213	4.8
139.11130	6.2
145.10114	4.5
147.11714	5.8
149.13226	8.2
149.44418	3.9
151.11206	5.9
151.14844	6.5
152.83763	4.5
153.12703	4.4
160.77750	3.9
165.16400	9.7
175.14806	83.7
176.84837	3.8
193.15872	66.0
211.16869	27.5
229.17914	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	229.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	19.8
57.03440	6.6
57.07074	5.1
67.05497	19.1
69.03458	6.8
69.07077	15.5
70.06604	13.8
71.05019	7.5
71.65887	3.1
72.02998	3.4
72.08143	9.0
73.86754	3.0
78.26214	3.4
78.53042	3.1
79.05513	10.5
81.03437	4.1
81.07046	34.7
81.07457	4.2
83.04994	9.9
83.08635	8.5
84.08163	7.2
85.06557	9.9
86.09730	15.3
91.05492	16.1
93.07032	18.9
95.08605	38.3
95.09042	3.5
99.08115	18.3
105.06990	19.4
107.08600	29.9
109.06544	9.0
109.10151	44.1
117.07063	8.4
119.08556	37.9
121.10133	30.9
123.08099	7.2
123.11691	23.0
125.09696	12.7
127.11222	4.0
129.10204	5.3
131.08582	7.9
133.10135	100.0
133.11078	5.2
135.11679	49.9
137.04375	3.7
137.09692	9.1
137.13268	4.6
143.47372	3.7
146.11069	4.7
147.11693	7.6
149.13293	6.9
151.11230	8.0
151.14861	5.2
152.84669	5.1
163.14854	8.0
165.16364	7.1
175.14824	57.2
175.16144	4.5
193.15886	37.2
202.08685	7.2
205.98851	4.7
211.16953	20.8
229.12254	7.8
229.18129	11.5
230.08263	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	229.1799
Annotation	13-Hydroxy-2-tridecenoic acid
Peak:m/z	Relative Intensity
50.57738	2.2
55.05511	14.4
55.71040	2.2
56.96548	3.9
57.03432	4.2
57.63106	2.4
58.81291	2.1
61.55105	2.3
65.90316	2.5
66.82618	2.2
67.05498	14.5
69.03416	9.8
69.07065	16.1
70.06580	7.2
70.12629	2.1
71.04983	8.0
72.08148	5.2
79.05512	4.1
81.07042	23.0
83.04977	8.5
83.08613	8.1
85.06530	10.2
85.10169	3.2
86.06067	3.2
86.09679	6.9
91.05476	10.0
93.07047	29.8
95.08598	33.5
97.10166	4.4
99.04547	3.1
99.08072	16.0
101.06033	3.4
102.95515	2.7
105.07037	17.0
107.08588	27.7
109.06494	5.9
109.10152	52.5
117.07008	4.9
119.08575	36.6
121.10132	23.7
123.08068	9.3
123.11705	22.4
125.09625	14.7
130.58855	2.8
131.08643	4.7
133.09132	5.2
133.10129	100.0
135.11687	54.4
137.09648	8.8
137.13246	3.3
139.11180	4.1
149.13239	6.5
151.11226	3.8
151.14844	5.5
163.14844	6.2
165.16391	9.6
175.14809	55.6
193.15868	41.1
211.16904	20.0
229.12030	4.7
229.17998	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	230.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	9.1
59.07380	2.2
60.08156	43.9
61.08493	2.1
65.32246	1.2
67.04238	2.0
68.05008	12.4
68.46793	1.1
69.03400	1.9
69.05457	2.1
69.05801	14.9
70.06582	56.0
71.06308	1.2
71.06917	8.6
82.77071	1.3
83.06103	2.6
86.00659	2.3
86.06068	3.8
93.68336	1.3
94.05293	1.7
96.08131	2.3
97.02872	3.1
98.06061	8.0
100.02189	8.9
110.06008	1.5
114.05525	3.9
114.09210	1.7
116.07095	2.2
124.07576	3.7
125.07973	2.0
126.05541	1.5
127.03257	100.0
142.08632	28.8
142.09734	1.6
143.02747	2.7
143.08974	12.9
170.08034	2.3
172.26822	1.6
172.80640	1.4
186.10590	34.5
194.08070	2.9
212.09085	2.1
229.15460	72.0
230.09540	12.9
230.15802	55.2
248.15001	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	230.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	2.9
55.01864	5.4
55.05487	4.5
56.05015	3.3
56.96555	8.3
57.03431	3.8
58.06606	2.6
59.28045	2.5
60.08144	8.4
66.69020	2.6
68.05023	6.0
69.03417	22.0
69.05789	3.2
69.07063	5.0
70.06583	49.5
70.17974	2.3
71.04985	4.0
71.06927	2.9
72.04494	3.4
72.08138	12.6
74.06060	8.5
77.51229	2.4
77.58282	2.7
81.03403	21.9
83.04966	6.2
84.04491	11.5
84.08144	33.6
85.02881	3.2
86.06062	89.5
86.09702	18.3
87.04450	6.8
88.04004	3.4
96.04475	5.3
96.08136	4.6
97.02888	41.3
98.06049	100.0
98.97566	2.8
99.04449	6.5
102.05507	5.2
109.02876	8.8
110.06016	9.2
111.04452	6.0
112.07576	9.5
117.05527	5.6
124.03870	3.3
124.07609	8.7
125.05862	2.8
126.05511	4.9
127.03194	12.8
129.10255	14.0
138.05518	3.9
138.09172	4.2
140.07169	4.9
142.08638	13.9
144.06531	4.6
148.07591	4.0
152.07022	6.2
155.64563	3.3
166.08607	8.7
170.08189	4.2
182.08116	18.9
184.09642	6.2
186.10518	6.3
194.08096	39.7
202.10696	4.0
212.09221	24.8
229.15536	15.7
229.58965	2.9
230.10222	44.3
230.15796	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	230.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.8
55.05505	13.2
56.05021	1.7
56.96567	1.8
57.03418	2.0
57.07071	7.8
60.08160	2.1
63.36448	1.5
66.43713	1.4
67.05489	15.9
69.07059	25.9
70.06554	2.8
71.04975	2.7
71.08624	1.8
72.08140	1.8
79.05487	4.7
80.45728	1.5
81.07049	19.3
83.08614	23.6
84.08118	1.9
85.06524	1.8
85.10133	2.0
86.06048	6.0
91.05479	4.9
93.07035	17.4
95.04939	1.5
95.08607	6.5
97.06516	9.7
97.10167	3.6
98.06011	1.8
100.07597	5.6
105.07025	2.0
107.08572	9.7
109.10168	2.8
110.09656	2.1
111.08100	7.2
114.09145	2.3
121.10136	5.5
125.09602	1.5
125.13303	1.7
127.03268	4.5
128.10733	1.7
129.58250	1.6
129.64102	1.4
134.17078	1.6
142.08844	1.5
149.13263	21.7
156.70459	1.8
156.79039	1.7
159.11723	4.6
166.15903	26.5
167.14293	7.6
176.98175	1.5
184.16988	6.5
194.15434	3.9
212.16444	100.0
231.13663	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	230.1902
Annotation	ROLICYCLIDINE
Peak:m/z	Relative Intensity
50.96867	0.9
54.01733	1.3
54.50445	1.0
54.53040	1.1
55.05507	1.6
59.04886	1.1
67.05490	2.1
70.06236	1.8
70.06586	20.1
84.08123	2.3
86.06037	2.4
91.05477	3.0
91.71725	3.0
95.08583	3.2
101.57277	1.2
105.07006	1.7
109.10185	1.6
117.07059	1.6
119.08569	17.8
157.06422	1.8
186.12700	3.3
200.12616	2.6
200.14325	34.7
201.15109	8.7
228.17351	2.0
228.92433	1.5
230.19017	100.0
231.24802	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1903
Annotation	ROLICYCLIDINE
Peak:m/z	Relative Intensity
59.56888	0.6
69.32148	0.6
70.67309	0.5
74.50830	0.6
77.71736	0.7
94.42072	0.7
94.42648	0.8
95.79137	0.6
106.54633	0.7
128.60980	0.7
130.06458	1.5
132.52003	0.7
143.12921	0.7
158.09598	0.9
172.11166	1.6
173.12021	2.8
184.11168	0.9
187.13531	9.0
200.14351	2.1
214.15871	11.4
215.16730	2.2
230.19014	100.0
250.32596	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1379
Annotation	4-(p-Methoxyphenyl)cyclohex-2-en-1-one
Peak:m/z	Relative Intensity
52.89770	2.6
53.03940	2.8
55.05501	19.1
57.07068	3.4
67.05489	7.5
67.75400	3.0
69.03409	4.5
79.05479	31.5
81.07048	100.0
83.04971	94.6
91.05475	33.6
92.98799	3.3
93.07040	11.1
95.08621	6.5
95.53574	3.0
99.10939	3.7
105.07021	36.4
107.04888	4.1
107.08582	7.7
109.06513	31.1
117.07015	7.5
119.08557	45.5
121.06507	8.7
128.06244	5.0
129.07016	9.4
133.06505	11.3
135.08055	17.9
143.08554	10.0
147.08034	96.7
149.09715	3.7
157.10228	4.0
160.44017	4.1
167.73082	3.6
171.11696	6.8
175.07501	38.5
181.05237	3.3
185.13217	3.6
189.05399	3.7
212.48328	4.0
231.13785	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1379
Annotation	4-(p-Methoxyphenyl)cyclohex-2-en-1-one
Peak:m/z	Relative Intensity
53.03943	5.2
54.17616	2.2
54.82115	2.7
55.01863	3.3
55.05496	11.6
56.96553	5.6
57.07053	10.3
59.04956	3.5
66.55900	2.5
67.05489	4.0
69.40111	2.9
73.66157	2.8
79.05475	19.6
81.03394	3.4
81.07043	62.7
81.07479	4.8
83.04969	100.0
91.05457	15.4
93.07040	6.3
95.04955	6.9
95.08649	4.3
97.02906	4.7
105.07025	19.4
107.04984	2.6
107.08575	4.1
109.06517	17.0
109.10238	2.7
114.12479	2.5
117.07017	8.1
119.08594	15.3
121.06558	8.1
128.06215	7.0
129.06999	8.8
131.08607	4.6
133.06473	6.5
135.08081	9.8
143.08536	9.7
145.06509	7.9
145.24139	3.4
147.08035	37.3
157.10190	3.8
175.07571	11.1
187.11156	3.2
189.09174	4.0
189.12733	8.3
203.14371	4.7
213.12775	4.8
219.22374	3.0
225.28584	3.3
231.13782	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	231.1379
Annotation	Isoparvifolinone
Peak:m/z	Relative Intensity
53.00309	1.6
54.04181	1.1
55.01860	1.4
57.06807	2.6
57.07069	46.6
58.02832	1.4
59.04984	4.0
62.06054	3.8
64.56529	1.3
65.03926	1.5
67.05480	6.3
69.03423	1.4
69.07039	1.7
71.08617	2.3
72.47248	1.3
75.83241	1.2
79.05464	6.7
81.03368	2.0
81.07053	8.4
85.06535	19.0
91.05471	8.4
93.07007	4.3
95.04935	4.3
95.08597	22.6
97.02879	1.7
105.06988	4.8
107.04932	3.7
109.06482	5.0
109.64616	1.3
117.06989	3.8
117.44584	1.4
119.08577	12.0
121.06493	16.8
123.08068	3.8
125.05989	4.4
128.06245	3.4
129.06967	3.4
132.05714	4.2
133.06509	2.1
135.04417	56.4
135.05421	2.8
137.05980	2.9
138.98161	1.7
143.08559	2.0
145.10091	2.2
147.08044	50.5
157.06578	3.3
157.10049	1.8
159.07979	2.2
160.05185	3.1
161.06033	4.0
161.09621	3.3
165.06995	1.8
171.08018	4.4
173.09581	7.1
174.06729	2.4
175.07532	24.3
198.10381	1.7
200.02048	1.5
203.14340	2.0
212.23662	1.9
213.12775	2.9
227.25812	1.7
230.24783	19.2
231.13786	100.0
231.25192	7.5
232.14182	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	231.1379
Annotation	Secocrispiolide
Peak:m/z	Relative Intensity
53.21349	1.6
59.88057	1.4
64.25728	1.6
67.05475	3.0
69.03399	2.6
77.03927	1.7
79.05463	3.6
81.07059	5.2
88.17310	1.6
91.05487	22.6
93.07037	10.2
95.04969	4.3
95.08636	3.6
95.66185	1.7
97.02888	2.5
98.54927	1.5
103.05479	3.8
105.07031	28.6
107.08594	3.3
109.06519	4.1
111.08083	2.4
117.07032	7.7
119.08577	100.0
121.06512	16.5
121.10124	3.7
128.06233	3.7
129.06958	2.0
131.08565	2.0
133.10098	11.9
134.10956	6.5
134.98997	1.5
135.08057	1.8
137.06010	3.0
142.07845	5.3
143.08582	7.8
145.10172	3.3
155.08600	2.1
156.09346	3.1
157.10066	9.2
165.07010	3.3
170.10898	3.6
171.08125	3.7
171.11757	2.1
175.71315	1.7
182.67627	1.6
185.09541	2.4
185.13219	9.3
195.11688	6.2
198.10423	3.4
200.52019	2.0
203.14197	2.2
213.12764	18.7
223.92188	1.7
231.13788	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.138
Annotation	Volvatellin
Peak:m/z	Relative Intensity
53.49510	4.3
55.05495	4.8
55.56370	3.6
56.31366	3.9
57.07066	27.2
58.42107	4.2
69.07048	11.9
75.15470	3.9
78.65224	4.6
79.05470	9.1
81.07045	17.2
83.04964	5.9
85.06541	9.6
91.05459	25.1
93.07012	7.3
95.04932	5.4
95.08600	8.5
97.02872	11.0
104.32349	4.7
105.07029	10.3
107.04945	18.3
115.05411	6.4
117.07020	9.8
119.08559	7.2
120.17892	5.2
128.06218	11.6
129.06992	100.0
131.04887	5.7
131.08597	12.5
133.06418	5.7
143.08542	18.0
145.06465	6.0
147.08029	13.0
157.06526	12.4
157.10112	7.7
161.05992	20.3
175.07555	31.6
185.13261	11.1
195.11653	10.5
213.12662	8.5
226.07899	4.9
231.06512	6.6
231.10156	92.9
231.13753	49.6
243.67834	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	231.138
Annotation	Volvatellin
Peak:m/z	Relative Intensity
54.56632	5.3
55.01880	6.2
55.05517	10.1
56.87368	5.3
56.96566	31.6
59.04998	14.0
67.05506	19.9
69.03419	30.2
69.07072	13.1
70.06594	6.5
72.08164	19.7
79.05511	19.2
80.14369	5.8
81.03420	13.1
81.07071	23.9
81.52135	6.0
83.04994	13.6
85.02943	6.6
85.10085	5.2
86.09720	13.3
91.05456	65.8
93.07033	33.3
95.05005	13.8
95.08630	21.7
97.02911	8.3
105.07018	52.7
107.04971	9.7
107.08608	11.7
109.06497	9.9
109.10229	5.7
111.04483	6.9
117.07057	13.9
119.04990	8.7
119.08553	31.8
121.06533	13.5
128.06262	15.8
129.07040	26.0
131.08632	20.3
133.06526	15.5
133.10162	21.1
139.35860	7.0
140.00227	6.5
142.07793	8.6
143.08594	23.5
144.08189	6.4
145.06557	7.9
145.10152	23.6
147.08124	15.0
153.84009	6.8
156.49991	6.2
157.10159	14.5
159.11746	9.0
161.09644	17.4
171.08087	7.1
173.09700	21.5
185.13310	17.2
189.09177	20.4
203.14345	12.1
207.87762	7.3
213.12766	9.6
223.24655	7.6
231.13734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1378
Annotation	Volvatellin
Peak:m/z	Relative Intensity
57.07061	6.1
59.04974	5.3
60.30405	4.9
60.89326	4.6
64.94999	5.1
79.05472	9.2
81.07040	11.5
83.04963	10.3
88.29798	5.0
90.86656	5.2
91.05463	44.0
93.07040	26.9
95.04974	10.2
95.42874	5.0
97.02845	6.4
97.65569	5.3
105.07038	30.6
111.04406	8.2
117.07011	9.9
119.08572	100.0
119.31358	6.0
121.06482	31.5
121.10147	8.2
127.35577	5.1
128.06245	13.7
129.06987	89.4
131.08559	28.1
133.10110	14.2
135.08028	8.1
142.07770	10.0
143.08557	44.4
145.06425	8.0
147.08047	62.1
157.06511	16.3
157.10149	21.6
165.06990	10.0
167.08565	6.6
171.11603	8.3
175.07527	27.1
180.09319	12.1
185.13272	23.0
195.11710	20.9
203.27003	5.7
213.12663	33.4
231.06496	7.3
231.13757	39.8
243.35306	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	231.1379
Annotation	Volvatellin
Peak:m/z	Relative Intensity
51.06883	2.7
56.96547	9.8
57.07060	5.0
57.16780	2.4
65.41698	2.8
66.72405	2.9
67.05489	2.6
81.07047	3.3
83.04963	3.7
87.83222	2.5
91.05475	14.3
91.70965	4.1
93.07028	4.5
94.89152	3.0
97.31932	3.0
97.99146	3.4
105.07019	12.8
107.04916	3.3
117.07036	4.4
119.08566	10.2
119.50169	2.7
128.06213	19.4
129.06993	100.0
129.96255	3.1
130.90845	3.0
131.08537	23.4
132.59145	3.0
142.07787	6.3
143.08549	33.9
145.10179	4.8
147.08028	81.0
157.06494	13.4
157.10115	12.3
165.06981	6.6
175.07504	23.3
180.09363	6.5
185.13248	18.8
195.11685	28.1
200.64731	3.3
213.12706	18.8
231.13870	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	231.1704
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
50.42497	0.3
50.58667	0.4
50.69707	0.4
55.05253	0.7
55.05507	9.5
56.19596	0.4
56.88263	0.4
57.05807	1.2
57.12073	0.4
72.08148	100.0
86.09701	5.2
91.71040	0.6
115.36517	0.6
132.10231	3.7
141.87129	0.5
161.03915	0.5
179.45557	0.6
185.71106	0.5
231.17102	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	231.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05257	0.5
55.05505	8.4
57.05796	1.2
58.76003	0.4
68.35248	0.3
72.08144	100.0
73.50272	0.4
74.12478	0.4
84.08150	0.6
86.09702	4.4
114.09133	0.5
123.46521	0.4
126.68669	0.5
132.10208	4.5
179.30417	0.5
185.16422	1.0
190.68326	0.4
231.16949	2.3
238.91965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0967
Annotation	Bruceolline I
Peak:m/z	Relative Intensity
52.89774	0.6
54.65936	0.6
55.39935	0.6
61.41896	0.6
65.71185	0.6
67.01842	3.2
68.01370	1.5
70.06582	5.2
72.08145	1.0
74.17553	0.6
79.05476	0.9
80.17472	0.7
81.76465	0.7
83.04978	0.9
84.04490	4.1
87.11118	0.7
91.05470	4.7
95.04971	1.6
98.06013	0.8
103.05460	28.4
104.04993	2.7
104.44032	0.7
105.03407	1.0
105.07015	7.8
106.05883	1.1
106.06542	13.1
107.04993	0.8
109.02869	1.0
110.02385	1.6
111.04464	0.9
114.65450	0.9
115.05473	1.4
115.45171	0.8
117.07020	4.5
119.08562	1.3
126.05516	6.9
128.03441	1.0
128.06229	1.6
129.06993	6.6
130.06537	9.2
131.04916	62.2
132.04453	3.3
134.93616	0.8
136.03911	2.7
141.06966	2.2
143.07303	0.9
144.08072	6.4
146.09622	4.9
155.04944	1.4
168.08054	3.1
169.06476	1.0
170.09631	1.0
172.07541	21.7
175.73911	0.8
186.09117	13.1
187.13110	0.7
188.10706	2.5
190.08618	13.3
196.07518	2.0
214.08615	32.2
214.63829	0.8
215.19514	0.8
232.09674	100.0
251.81052	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99722	5.0
59.39783	4.9
59.48780	4.8
69.31237	4.9
70.06570	6.6
71.04974	19.1
72.06226	5.3
81.03390	7.2
84.04481	19.7
94.73026	5.6
96.04494	69.5
97.02863	6.8
98.06046	16.9
104.57311	5.4
109.02866	12.7
126.05500	90.7
144.06554	100.0
154.08582	6.5
166.08598	45.6
196.09714	9.1
214.10777	12.6
232.11862	13.3
252.35378	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	232.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
61.08345	3.7
68.37302	4.2
69.03391	4.2
70.06559	5.9
71.04975	10.2
72.61888	3.8
81.03419	4.2
84.04496	20.4
91.37134	3.8
96.04477	71.7
97.02882	9.4
98.06057	12.5
99.04508	5.0
106.44123	4.5
109.02872	9.5
110.93004	4.4
111.12366	4.5
126.05505	85.2
128.78171	4.8
144.06538	100.0
150.15718	4.3
154.08656	5.2
166.08620	61.1
196.09695	12.3
214.10818	14.3
219.95561	4.7
232.11841	12.8
232.20537	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	232.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.7
62.92036	1.6
65.86905	1.9
67.06326	1.7
68.05047	2.3
69.03416	4.7
70.06586	5.4
71.04980	18.0
72.04500	3.4
80.04997	2.4
81.03410	8.2
83.01363	3.9
83.04971	2.3
84.04494	19.7
88.07623	5.2
89.86012	1.8
96.04481	76.7
97.02897	10.4
98.02438	2.1
98.06055	14.2
99.04448	6.7
101.02394	3.2
109.02895	8.2
126.05509	89.1
127.03957	2.4
144.06551	100.0
145.94196	1.9
154.08638	4.1
166.08629	63.5
166.09967	4.2
196.09752	8.3
214.10799	13.8
232.11873	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	232.118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.9
55.05490	10.4
56.05032	10.4
56.96550	15.2
57.03423	4.7
58.06582	5.4
60.04523	65.2
60.08168	4.1
67.05474	5.1
68.05014	7.6
69.03424	4.9
70.06583	100.0
71.01342	7.8
71.05011	7.2
71.06912	15.2
72.04500	5.5
72.08154	27.7
74.06052	11.5
79.05467	6.1
80.05003	10.3
80.45612	4.1
81.03400	14.9
81.07050	18.6
82.06564	15.9
84.04475	21.4
84.08133	25.4
85.02882	4.6
85.06531	4.6
86.06049	10.2
86.09698	20.0
87.05574	4.5
88.03983	6.2
91.05455	9.5
93.07030	18.6
94.06559	17.2
95.04971	10.9
96.04424	5.6
96.08116	6.7
98.06037	12.9
102.05556	6.3
108.08102	15.0
109.06511	13.0
110.05979	4.8
111.04427	6.9
111.08077	8.8
112.07608	11.6
114.05540	6.4
116.07089	10.9
124.07565	10.9
126.05534	9.8
127.08640	5.6
128.07077	6.8
129.10233	14.5
132.42656	4.5
136.07567	16.1
137.05975	20.1
140.00252	4.8
140.07080	11.8
140.10590	4.5
142.08643	21.7
144.06596	9.0
144.09303	5.4
150.09142	10.0
152.07179	6.1
154.08624	51.8
158.08141	4.9
168.10222	8.2
172.06047	7.4
172.09653	10.1
178.08690	7.5
184.09636	8.6
186.07639	12.6
186.11287	12.3
214.07025	5.7
214.10760	32.5
231.16017	18.8
232.08086	7.4
232.11784	65.9
232.14127	7.3
232.16206	23.3
242.40714	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	232.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	48.0
56.57306	12.4
56.96549	17.5
57.07053	25.9
67.05479	18.0
69.07053	69.8
72.04502	100.0
81.07037	41.9
83.08607	64.8
86.06049	17.4
93.07028	40.3
95.22838	14.4
105.07030	16.6
107.08630	15.1
114.09175	22.4
128.10715	15.8
137.06046	13.5
149.13214	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	232.2059
Annotation	Muscopyridine
Peak:m/z	Relative Intensity
70.06558	1.1
81.07025	1.9
81.94672	0.6
91.71613	0.8
112.05580	0.6
120.08061	1.1
132.71446	0.6
147.10420	6.0
150.12727	1.4
174.12781	3.6
188.14343	1.4
189.15080	9.1
190.15833	1.5
194.25366	0.7
202.15930	1.0
203.16614	1.7
225.59004	0.8
232.20584	100.0
239.57837	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04913	1.9
55.05508	2.1
55.72030	1.4
56.96553	4.4
57.07050	5.7
58.06583	2.0
60.04518	3.1
61.45886	1.7
69.03419	2.4
69.07063	1.7
70.06580	16.5
71.08633	2.0
71.59486	2.0
79.05503	2.3
81.07056	2.2
84.04513	1.7
88.07621	22.9
91.05499	2.5
93.07006	2.2
95.08603	2.6
102.09152	6.4
105.07080	2.5
106.08640	10.0
135.92786	2.3
214.21626	7.7
232.20547	7.5
232.22678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17290	59.5
51.73920	57.1
52.99314	54.9
58.78477	57.6
67.13814	66.9
72.41633	65.6
79.15099	76.7
79.78380	89.6
91.71630	100.0
93.39017	77.4
96.94069	73.9
122.54378	83.0
129.20808	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39614	56.1
58.03111	56.6
60.24850	58.5
71.53219	76.6
73.31008	65.8
90.52638	81.1
101.17773	71.1
116.40124	74.4
119.70522	82.2
155.89088	84.8
203.74272	81.6
242.59262	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0443
Annotation	5-Hydroxyxanthotoxin
Peak:m/z	Relative Intensity
56.96583	1.8
58.96204	1.8
89.86095	1.6
91.05487	2.8
98.06282	1.9
103.05479	2.5
115.05383	4.6
121.06455	2.1
131.08560	3.0
139.85789	1.9
144.05684	2.6
144.07555	2.4
145.02783	2.4
149.02313	13.9
159.04391	4.4
173.02403	5.3
174.06789	2.6
187.03867	3.8
190.02623	10.3
205.04945	100.0
233.04425	55.1
233.08014	3.4
246.07513	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	233.1171
Annotation	Mansorin B
Peak:m/z	Relative Intensity
52.63230	0.8
56.96537	0.6
57.07050	1.9
58.74767	0.5
63.70335	0.5
67.01842	1.5
71.31872	0.5
72.63829	0.5
79.05457	1.3
81.07029	1.0
81.56401	0.6
83.04953	1.1
85.06522	0.7
91.05460	1.2
93.07016	0.8
105.07022	1.5
107.04948	0.7
110.63686	0.6
117.06989	1.0
121.06470	1.1
131.08539	1.4
135.08035	2.1
136.69502	0.5
145.06471	2.2
148.05151	1.3
149.05933	2.4
151.03876	4.1
162.06755	1.2
163.07466	1.7
173.05928	2.2
177.05479	1.1
190.06227	14.6
191.07013	23.3
222.06313	0.6
233.11696	100.0
234.12013	0.9
234.82790	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1171
Annotation	Mansorin B
Peak:m/z	Relative Intensity
52.48630	0.8
52.63236	0.6
56.96536	1.4
57.07047	3.1
67.05486	2.0
69.07065	0.7
79.05454	2.2
81.07028	1.6
81.41438	0.8
83.04951	2.0
85.06509	1.4
91.05442	3.1
93.07010	2.1
95.04943	1.8
95.08572	1.2
105.07018	2.0
107.08589	0.8
114.32904	0.7
117.07030	0.9
119.08598	0.8
121.06464	1.3
124.05196	3.3
131.08527	4.8
133.10120	0.8
135.08028	2.2
135.57620	0.7
137.09607	2.7
145.06442	0.8
146.14053	0.8
149.09613	0.9
151.03877	4.0
152.31599	0.7
162.06650	0.9
163.07491	1.8
171.55574	0.8
177.05409	1.6
177.09151	2.1
187.14822	1.1
190.06233	26.3
191.07016	19.7
215.06975	0.9
215.14276	2.1
233.11702	100.0
233.15021	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	233.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88400	0.9
54.45601	0.9
56.05030	2.3
56.53473	0.8
56.92575	1.1
58.06593	1.1
62.01134	1.1
62.07539	1.0
62.93076	1.0
68.04201	1.0
73.94775	1.0
74.06081	2.2
81.03435	1.4
89.77396	1.1
91.05499	1.9
101.18667	1.0
102.05534	100.0
118.06541	17.8
130.06477	1.1
144.08067	7.2
146.06004	34.6
156.62982	1.2
157.12155	1.3
170.06085	3.3
188.07050	36.5
199.54230	1.2
212.47394	1.2
233.08157	3.5
233.12875	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	233.1535
Annotation	ar-Pseudotsugonal
Peak:m/z	Relative Intensity
51.89328	2.2
54.36436	2.4
57.06796	4.3
57.07065	49.3
64.59496	2.2
67.05489	9.2
78.55847	3.1
79.05484	11.9
81.07043	76.2
85.06535	41.1
86.91285	2.8
91.05480	7.8
91.70947	2.7
93.07018	5.2
95.04958	10.0
95.08599	7.0
97.69102	2.7
105.07007	16.0
109.06495	16.4
109.10164	3.4
117.07010	6.8
119.04931	6.9
125.09630	4.9
131.08545	30.7
133.06496	3.4
135.08051	3.5
137.09615	11.2
144.68622	4.1
145.36359	3.3
147.08055	7.7
149.09613	24.0
154.01563	3.1
159.08052	4.1
159.38028	3.1
173.13159	5.1
191.14252	5.1
233.15329	100.0
252.63910	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	233.1536
Annotation	Furanether B
Peak:m/z	Relative Intensity
51.13854	2.8
51.86670	2.7
52.01871	3.5
55.05516	3.3
57.07071	57.5
57.07318	4.8
58.43747	2.8
59.05005	4.5
62.40752	3.1
67.05522	14.8
73.01449	3.0
79.05506	13.0
81.07047	89.7
85.06538	34.5
91.05495	8.5
93.07050	9.6
95.04977	10.3
95.08609	8.9
105.07032	22.2
109.06522	18.9
117.07037	6.1
119.04973	4.3
125.09682	5.7
129.07043	4.3
131.08595	35.0
137.09624	20.0
140.42581	3.4
142.72118	4.2
147.08098	7.4
149.09644	20.2
159.08083	5.5
173.13284	5.2
177.08922	4.6
191.14383	7.6
203.65012	4.3
230.21173	3.7
233.15361	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1534
Annotation	Hypacrone
Peak:m/z	Relative Intensity
55.05494	8.2
57.07066	53.3
59.67152	4.5
67.05487	21.6
68.02518	4.3
69.07043	8.5
79.05471	14.6
81.03391	5.2
81.07043	72.3
83.04970	9.1
85.06541	29.3
91.04990	4.8
91.05461	27.6
93.07047	18.9
95.04961	19.0
95.08601	7.4
105.07027	27.0
107.08610	8.7
109.06519	28.2
111.64957	4.7
113.81250	4.7
117.06988	9.4
118.04158	5.1
119.08563	7.4
125.09592	6.2
131.08556	37.6
137.09610	37.0
145.10092	7.3
147.08073	9.6
149.09584	13.1
155.37343	5.8
177.09163	5.9
191.14322	8.2
215.14354	15.3
233.11679	7.8
233.15347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	Hypacrone
Peak:m/z	Relative Intensity
55.05497	18.5
57.07067	49.6
61.33759	10.4
67.05484	39.3
68.99772	9.8
69.03403	9.4
69.07053	9.3
69.55059	9.2
79.05486	33.4
81.03429	15.7
81.07047	69.0
83.04983	51.3
85.06536	22.1
91.05472	71.7
92.75630	8.5
93.07044	55.1
93.07546	11.6
95.04987	24.2
95.08590	31.7
105.07020	41.1
107.08591	24.3
109.06520	13.5
109.10130	14.5
117.07034	23.0
121.06606	9.9
121.10139	16.1
123.08114	11.9
129.07056	12.3
131.08575	44.0
135.08038	18.4
137.09607	31.2
145.10110	17.3
149.09569	16.7
159.08026	15.1
161.09647	11.5
163.11247	11.8
173.09717	13.6
177.09175	23.2
189.12715	19.8
191.46426	9.4
205.15947	15.8
215.14349	27.4
233.15343	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	Turmeronol B
Peak:m/z	Relative Intensity
55.05497	15.9
57.07043	6.8
59.04981	6.1
60.38031	3.6
65.03928	5.0
67.05510	5.7
69.03414	18.3
69.07066	10.1
72.74466	3.6
79.05490	23.4
81.07060	13.6
83.04974	72.5
91.05466	41.9
93.07037	13.3
95.04940	10.9
103.62273	4.7
105.07024	27.6
107.08588	78.6
109.06503	14.3
115.05452	8.6
117.07017	13.4
119.08585	9.7
121.06518	41.1
125.09629	67.6
131.08534	11.9
133.10138	11.2
134.10876	4.6
135.08061	100.0
141.06993	9.8
142.07542	3.8
143.08577	7.2
145.10124	34.0
149.09613	7.3
155.08580	9.7
158.07272	9.3
159.08029	35.6
159.11732	7.4
171.08028	6.0
172.08885	9.9
173.09576	42.4
185.09622	9.3
186.10318	11.5
197.13220	13.4
200.11981	13.4
215.14426	33.0
224.21413	5.3
230.72963	5.0
233.15312	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	233.1535
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03923	4.2
55.05497	5.5
57.07068	62.2
67.05507	4.9
79.05486	17.1
81.07045	100.0
85.06548	39.0
88.42859	4.2
91.05492	9.1
92.63948	4.3
95.04958	15.3
95.08596	5.2
97.76628	4.6
99.74536	4.8
105.07030	20.9
109.06518	20.6
120.21764	4.8
131.08586	37.1
131.34885	5.0
137.09628	22.8
147.08070	7.8
149.09596	34.2
167.75771	6.6
191.14250	8.7
233.15297	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	233.1534
Annotation	Caespitenone
Peak:m/z	Relative Intensity
55.05492	3.6
57.06800	3.1
57.07065	47.5
57.59247	1.9
63.95486	2.2
65.03918	2.4
67.05499	19.7
68.47108	2.0
69.07066	4.1
69.95789	2.3
71.01342	7.2
73.15446	2.4
73.92000	1.9
79.05478	23.7
81.03417	2.9
81.07037	29.0
81.93071	2.6
83.04969	4.9
85.06531	27.8
88.65563	2.9
91.05465	29.2
93.07031	21.7
95.04959	30.7
95.08586	9.4
97.02965	2.6
105.07043	14.6
107.04979	2.7
107.08599	3.6
109.06513	9.7
109.10153	8.6
114.34945	2.7
117.07018	8.0
117.22404	2.3
119.08576	4.2
121.06414	2.6
121.10110	3.2
125.09608	3.2
127.07543	12.3
129.06992	4.3
131.08568	29.5
133.06468	2.5
137.09599	51.5
141.06975	3.6
145.10136	5.3
149.09543	4.4
151.11235	4.3
153.09032	12.4
159.08015	6.3
177.09009	4.7
187.11137	4.1
197.13118	2.6
215.14272	27.9
216.91252	2.9
233.15340	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	Hypacrone
Peak:m/z	Relative Intensity
55.05483	2.9
57.07067	53.1
67.05492	9.4
79.05489	15.3
81.07046	81.8
85.06536	34.0
88.20059	2.9
91.05485	10.8
93.07033	4.0
95.04972	11.5
95.08591	5.3
105.07041	15.3
107.08575	3.9
109.06509	23.9
117.07056	3.7
119.05001	4.6
125.09575	4.6
129.07039	4.4
131.08572	36.5
137.09605	18.1
147.08064	6.7
149.09581	23.0
151.11320	3.5
173.13283	4.9
189.12833	4.4
191.14319	6.8
205.15741	4.0
215.14346	4.5
222.95026	3.2
233.15346	100.0
253.60553	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	233.1536
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
55.05496	12.7
56.96552	10.3
57.07059	9.9
67.05506	24.9
69.03435	7.4
69.07041	11.6
78.02526	5.4
79.05485	21.6
81.07050	65.4
83.04972	7.1
84.78680	4.5
91.05464	55.1
93.06474	8.8
93.07036	81.9
95.04959	10.4
95.08603	47.5
97.06520	6.6
105.07021	62.5
107.08591	32.5
109.06548	8.0
109.10115	6.1
111.04426	10.7
111.08080	10.1
115.05456	7.0
117.07013	14.7
119.08576	34.7
121.06509	14.4
121.10136	41.2
123.08103	5.7
123.11747	7.8
126.63084	4.6
127.71603	5.5
128.06192	6.4
131.08549	48.3
133.10138	26.5
135.08035	9.5
135.11722	24.1
138.94435	5.1
145.10127	41.2
147.08026	8.1
147.11702	12.4
154.45528	5.1
159.08035	15.2
159.11705	26.0
173.09576	10.7
177.09138	23.0
187.14819	56.7
191.10825	6.4
215.14348	40.0
233.08083	15.9
233.15356	100.0
244.47244	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	233.1536
Annotation	Turmeronol B
Peak:m/z	Relative Intensity
50.19302	5.7
54.38984	4.6
54.76642	4.5
55.01843	4.5
55.05503	9.1
57.07071	62.9
67.05495	8.1
69.07102	4.6
70.04516	4.8
76.46455	5.1
79.05484	15.4
81.07047	69.2
83.04980	6.8
83.08597	7.9
85.06532	27.8
90.04321	6.1
91.05499	13.2
93.07025	15.3
95.04927	8.8
105.07024	26.8
107.08572	12.3
109.06527	20.5
113.52609	5.8
125.09599	6.8
131.00011	6.6
131.08568	57.3
133.06505	6.5
135.08118	8.1
137.09576	15.4
145.10129	9.5
149.09621	24.7
177.09081	11.3
233.08098	13.4
233.15318	100.0
245.63762	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	233.1536
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
56.79120	1.3
56.96548	2.3
57.07068	3.9
67.05481	2.7
69.07053	3.9
71.66764	1.5
81.07043	4.4
83.04974	1.9
91.05460	14.1
93.07038	3.2
95.08601	4.4
103.05459	1.7
105.07001	11.6
106.01140	2.1
107.08594	3.2
116.06192	2.0
116.98569	1.4
117.07013	3.9
119.08560	2.4
129.07007	1.7
131.08562	100.0
133.10094	2.1
145.10121	7.9
150.90900	1.6
158.72028	1.8
159.08109	2.9
177.09106	9.4
187.14799	3.9
192.84843	1.5
208.45186	1.7
228.07686	1.8
233.08083	3.2
233.15302	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	233.1535
Annotation	Turmeronol B
Peak:m/z	Relative Intensity
55.05498	21.7
57.07059	18.8
59.04986	12.9
67.05491	11.4
67.67417	4.2
79.05482	17.2
81.07064	15.0
83.04967	15.1
91.05475	49.8
93.02122	5.2
93.07030	75.1
95.04951	18.4
95.08607	22.4
95.58260	4.9
105.07016	46.3
107.08614	14.6
109.06602	6.9
117.07007	15.7
119.08563	21.3
121.06516	9.0
121.10177	7.3
123.08085	6.7
125.98318	4.9
128.06262	6.6
129.07001	13.3
131.08562	50.0
133.10155	10.2
135.08069	14.7
145.06531	7.5
145.10124	12.6
147.11670	7.9
149.09647	22.7
159.08057	14.7
159.11708	12.3
173.09674	6.8
175.11174	19.0
202.50981	5.8
215.14325	21.7
233.15366	100.0
247.33667	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	233.1535
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.88762	4.5
55.05499	10.1
55.41540	4.6
56.96537	8.1
57.07055	23.0
57.47661	4.5
59.04985	4.7
67.05498	40.7
69.07049	17.3
77.18095	5.4
79.05474	18.7
81.03368	8.3
81.07050	55.5
83.08585	5.7
85.06528	10.0
91.05463	66.3
93.07043	83.9
94.78813	5.6
95.04941	16.8
95.08601	41.6
103.05443	6.0
105.07031	74.1
107.08582	25.9
109.06503	14.0
109.10138	42.3
111.08071	9.1
115.05498	6.2
116.06204	8.6
117.07021	17.2
119.08578	26.1
121.06514	13.2
123.08054	8.0
131.08563	100.0
133.10167	12.9
135.08054	10.1
145.10106	41.6
147.11682	6.9
149.09610	9.9
153.69635	6.3
157.10193	6.4
159.08070	16.6
159.11642	11.8
161.06070	6.0
161.09596	13.0
173.09605	8.1
173.13268	11.2
177.09111	21.6
187.14821	36.2
191.14313	7.8
213.34264	6.6
215.14330	14.8
216.94124	7.1
233.08099	9.2
233.15356	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	Hypacrone
Peak:m/z	Relative Intensity
52.40303	3.3
55.02980	4.2
55.05499	4.5
57.06838	4.5
57.07070	58.1
60.86663	3.6
67.05488	11.6
69.07065	4.5
72.70160	4.5
76.09679	3.8
79.05489	16.8
81.06601	6.6
81.07043	79.6
83.04976	7.0
84.82619	4.9
85.06516	29.8
91.05469	12.8
93.07021	11.9
95.04989	12.9
95.08582	6.9
105.07044	22.6
107.08588	8.0
109.06515	20.7
114.29398	4.0
117.07037	6.0
119.04900	5.6
121.06454	5.6
129.07024	5.7
131.08537	33.4
137.09627	17.7
145.10150	4.9
147.08070	6.8
149.09592	29.9
185.02449	4.1
189.12750	6.3
191.70883	4.2
201.79942	4.7
215.14212	5.7
233.11765	7.6
233.15337	100.0
249.93971	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	233.19
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
50.57375	2.3
55.05486	9.5
57.03421	3.2
57.07052	7.0
58.25784	2.5
61.98637	2.2
63.47848	2.4
67.05174	3.0
67.05497	41.1
69.07040	12.5
71.04989	4.6
79.05487	44.2
81.07047	41.6
83.08601	7.3
85.06522	9.5
88.91430	2.5
91.05466	30.1
93.07035	57.7
95.04954	7.2
95.08589	30.7
97.06525	7.6
97.12746	2.6
99.08060	5.1
105.07040	17.6
107.08587	37.1
109.10150	10.0
111.08054	7.5
116.62910	3.0
117.07010	6.3
118.13907	2.3
119.08574	14.9
120.74960	2.8
121.10163	34.1
123.08119	3.1
123.11692	6.1
131.08580	27.6
133.10141	22.9
135.11691	51.6
137.09608	4.4
145.10083	18.6
147.11688	14.1
147.48564	2.8
149.13251	39.0
150.28641	2.6
151.11115	4.9
159.11685	24.2
161.13242	5.3
173.13226	13.1
183.47391	3.3
187.14859	6.6
189.16348	3.1
215.17932	77.4
233.19000	100.0
234.47151	2.8
241.43710	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	233.19
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54508	3.5
55.05499	12.8
57.07066	5.8
60.50968	3.4
67.05492	43.4
69.07050	11.2
69.88717	4.1
71.04978	5.5
72.33411	4.2
79.05481	49.7
81.07047	42.3
81.62836	4.1
83.08601	7.4
84.27268	4.2
85.06535	10.5
89.66080	3.7
91.05473	40.4
93.06494	5.1
93.07038	70.3
95.04959	9.4
95.08602	31.6
97.06515	7.9
105.07027	24.5
105.43555	3.8
107.08578	42.1
109.10150	8.8
111.08081	6.8
111.80724	4.7
117.07035	10.8
119.08557	15.0
121.10149	38.3
123.11714	4.5
124.84022	4.3
131.08556	30.8
133.10136	22.2
135.11696	63.0
145.10150	26.6
147.11699	16.4
149.13217	28.1
159.11673	14.7
173.13316	14.5
187.14778	9.4
215.17908	77.7
224.63371	4.8
233.18980	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1899
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.59977	2.5
55.05487	7.1
57.03411	3.3
57.07061	5.6
65.03937	2.5
67.05176	3.8
67.05499	46.2
69.07031	8.3
71.04965	6.8
71.50426	2.7
72.61012	2.5
75.33691	2.6
79.05491	49.3
81.07053	45.4
83.08585	8.2
85.06519	8.5
85.16397	2.8
91.05471	33.0
91.40603	2.6
93.06493	4.5
93.07040	72.8
95.04960	5.5
95.08601	32.4
96.60919	3.1
97.06528	8.0
99.08054	3.2
105.07028	20.8
107.08591	43.8
109.06489	4.2
109.10145	13.6
111.08097	6.7
117.06998	10.3
119.08586	18.4
121.10142	38.6
123.11678	5.0
131.08543	28.0
133.10126	25.8
135.11696	67.0
135.65491	3.2
137.09564	3.5
145.10130	25.7
147.11671	14.7
149.13252	28.7
155.47057	3.1
159.11716	20.7
161.13271	5.3
173.13290	18.7
179.32027	3.0
187.14818	9.6
187.55159	2.9
189.16374	6.4
215.17940	82.3
233.18979	100.0
236.07690	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	233.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.0
55.26479	3.5
57.03443	3.4
58.70538	3.5
59.73971	3.3
67.05497	33.6
69.07081	8.8
79.05479	53.0
81.07055	37.7
83.08630	4.0
85.06557	5.5
88.26295	4.3
91.05465	25.1
93.07038	57.7
93.07561	5.2
95.04982	6.8
95.08611	25.9
97.06521	7.0
99.08093	6.1
100.65101	3.6
105.07082	19.8
107.08577	35.4
109.10176	12.7
111.08121	9.1
117.07010	9.7
119.08623	18.3
121.10137	37.1
131.08580	25.8
133.10147	25.6
135.11694	51.4
145.10123	23.6
147.11743	13.3
149.13205	32.2
151.11227	5.0
159.11772	17.4
173.13284	23.2
175.14836	4.9
195.63235	4.0
215.17921	61.4
215.19670	5.6
227.36893	4.3
233.18971	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.19
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
55.01868	2.9
55.03034	2.4
55.05493	7.0
56.96566	4.8
57.07071	5.4
67.05499	20.0
69.06015	2.5
69.07071	6.1
71.04982	3.1
72.51283	3.0
74.13509	2.5
76.58641	2.8
79.05492	20.7
81.07049	23.5
83.08607	4.8
85.06537	4.2
91.05486	29.5
91.41335	3.0
93.07031	21.0
95.04967	4.0
95.08605	14.6
105.07055	18.3
107.08601	16.4
109.10159	8.3
117.06972	4.8
119.08588	15.0
121.10130	21.1
131.08575	100.0
133.10132	17.2
135.11678	23.8
145.10127	13.7
147.11684	8.5
149.13284	8.5
159.11711	9.0
173.13329	6.2
177.09048	6.3
215.14162	3.3
215.17961	24.5
233.13264	3.9
233.15379	14.6
233.18988	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	234.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74754	3.0
55.05504	9.2
57.07051	4.3
69.63549	3.5
72.93763	13.3
73.96786	4.5
75.22848	3.6
78.37769	3.4
80.08327	3.7
81.07066	5.2
83.04979	23.1
86.86819	3.4
87.86752	3.7
89.05995	5.1
91.05462	4.7
91.13505	3.6
95.05016	4.7
97.00795	4.3
101.06022	10.4
104.24004	4.6
111.04424	37.9
113.96413	27.9
129.05486	18.8
131.97398	9.9
139.01825	9.5
144.02405	17.2
149.09505	4.2
154.99010	50.8
155.06999	46.6
162.03383	11.0
173.08063	48.6
185.05009	7.6
188.92468	14.8
193.93069	15.2
196.01691	5.9
199.61859	4.9
211.94095	13.4
217.10699	100.0
232.35709	5.0
234.15584	8.1
234.95668	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	234.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42907	0.6
55.05494	1.5
56.63495	0.7
56.96545	0.6
57.03414	2.2
60.55088	0.7
60.99749	0.6
68.98243	0.7
69.29319	0.7
69.62535	0.6
79.05477	1.5
81.07053	4.7
94.04076	0.8
119.03520	2.8
136.06183	100.0
137.04578	1.8
141.17699	0.8
167.64391	0.7
234.13483	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
56.05033	0.9
56.96556	0.7
57.03445	0.9
58.36506	0.5
67.05502	0.8
69.03405	0.6
69.77843	0.5
70.06582	100.0
72.08147	1.8
81.07042	0.9
83.04974	1.8
85.02877	0.8
86.09711	0.8
90.05529	0.7
95.08643	0.6
98.97582	0.8
101.06010	0.8
102.05560	1.1
107.04987	1.0
109.06472	0.6
111.04462	2.3
112.36694	0.6
136.06227	1.3
140.00133	0.8
155.07048	2.5
162.87486	0.6
166.26866	0.6
173.08139	2.6
179.08264	0.7
199.09637	0.9
216.06749	0.8
216.12428	1.4
217.10709	5.6
225.57503	0.6
234.07614	1.1
234.11325	1.1
234.15111	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	234.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89701	1.2
56.05028	12.5
57.07064	8.6
58.06599	8.3
59.08091	1.3
60.04512	3.6
65.11858	1.3
66.85362	1.4
69.07050	1.3
71.08622	4.6
74.06066	12.0
74.48754	1.3
77.84035	1.6
86.06047	2.1
88.07618	35.9
104.03867	1.4
107.29395	1.4
118.08628	6.2
122.08130	6.4
186.18517	55.3
202.57100	2.0
234.20622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00365	0.7
55.01876	0.8
58.87822	0.7
91.05476	1.2
102.05565	1.0
105.07033	0.8
115.05477	2.7
117.07069	1.4
128.06262	2.1
129.07007	7.4
131.04947	1.2
131.59172	0.7
131.95067	0.7
137.05957	0.9
141.10541	0.8
144.05690	11.7
145.06566	3.1
149.88472	0.8
157.06453	5.9
160.05219	1.9
172.05190	12.4
173.05962	0.9
174.06847	3.6
175.07509	11.1
187.07529	100.0
188.08322	1.1
189.07588	1.5
189.09109	7.7
217.08713	2.6
235.09779	3.5
235.17087	1.0
259.62463	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.1
55.05479	0.7
57.07045	0.8
58.28428	0.7
61.69247	0.8
78.68223	0.8
81.07040	1.1
83.04969	0.9
91.05481	1.7
95.04937	0.8
98.90589	0.8
103.05457	1.0
105.07011	0.8
115.05455	2.6
117.06998	1.2
119.08580	1.3
123.82645	0.9
128.06204	2.7
129.06987	9.3
131.04924	1.9
133.10110	1.2
144.05699	11.5
145.06491	3.1
157.06477	8.3
160.05177	2.4
172.05164	14.2
174.06790	3.6
175.07555	8.7
176.12294	0.9
187.07530	100.0
188.08301	1.3
189.09062	9.2
205.08586	2.6
217.08627	3.8
235.09615	2.3
235.16942	2.1
259.39871	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22989	0.5
55.01863	1.2
59.46916	0.5
68.27108	0.5
71.29134	0.6
76.00433	0.5
90.59872	0.6
91.05460	1.3
115.05431	2.5
116.13589	0.5
117.07002	0.8
118.22216	0.6
128.06192	1.8
129.07001	5.4
130.02272	0.5
131.04849	0.7
132.55840	0.6
133.98123	0.6
138.01501	0.6
140.47775	0.6
144.05696	11.1
144.78195	0.7
145.06462	2.6
156.05624	0.8
157.06450	4.4
160.05202	2.1
161.05962	0.8
172.05182	11.0
173.05930	1.2
174.06738	2.4
175.07547	7.1
185.05997	1.1
187.07529	100.0
188.08046	1.4
189.09096	6.6
217.08626	2.5
235.09645	1.0
246.56920	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0964
Annotation	Swerilactone M
Peak:m/z	Relative Intensity
55.01859	6.6
55.05499	2.2
56.96552	3.9
57.07057	7.9
57.47034	1.7
57.97482	2.1
67.05484	2.7
69.07050	4.3
79.05498	2.8
80.32185	1.9
81.07041	4.3
91.05473	6.8
93.07016	4.6
95.08607	5.9
103.05457	7.1
105.07031	6.3
107.08585	3.1
115.05450	7.4
117.07018	13.8
119.08564	4.8
121.10173	4.6
128.06206	28.5
129.06995	69.9
131.04916	15.1
133.10173	5.1
137.05962	2.7
144.05730	8.0
145.06485	32.9
146.07253	6.9
147.08133	2.5
147.11713	2.9
155.04892	9.9
155.06021	4.8
157.06479	100.0
158.07175	2.6
160.05202	2.5
161.05984	5.7
161.09625	2.8
162.06766	12.9
163.07542	8.2
172.05206	5.4
173.05952	2.9
174.06743	26.3
175.07530	12.0
175.11215	2.4
177.09119	14.7
179.06970	3.4
185.05978	4.5
187.07539	34.1
189.09094	89.9
189.16396	2.8
190.06276	18.3
205.08588	52.2
207.10207	8.7
217.08603	29.6
217.15910	3.4
235.09584	16.8
235.16951	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	235.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.1
55.05479	0.7
57.07045	0.8
58.28428	0.7
61.69247	0.8
78.68223	0.8
81.07040	1.1
83.04969	0.9
91.05481	1.7
95.04937	0.8
98.90589	0.8
103.05457	1.0
105.07011	0.8
115.05455	2.6
117.06998	1.2
119.08580	1.3
123.82645	0.9
128.06204	2.7
129.06987	9.3
131.04924	1.9
133.10110	1.2
144.05699	11.5
145.06491	3.1
157.06477	8.3
160.05177	2.4
172.05164	14.2
174.06790	3.6
175.07555	8.7
176.12294	0.9
187.07530	100.0
188.08301	1.3
189.09062	9.2
205.08586	2.6
217.08627	3.8
235.09615	2.3
235.16942	2.1
259.39871	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86810	2.6
66.78569	3.0
70.06581	30.1
76.86520	3.6
82.05305	16.9
83.06120	6.7
86.30293	3.6
110.07156	88.7
125.39018	3.7
162.10287	12.9
235.11893	100.0
235.14232	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	235.1329
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
53.03928	2.5
55.05497	7.8
56.96552	8.7
57.03419	5.3
57.07063	5.0
58.61591	2.5
58.93261	2.4
59.08296	2.4
67.05482	8.9
69.03421	10.2
69.07049	4.2
71.04980	7.6
79.05489	13.4
81.07046	22.0
83.04967	8.9
85.02905	25.1
91.05485	25.6
93.07047	28.8
95.04972	10.9
95.08614	16.6
97.06519	4.4
98.97560	6.1
100.78394	3.1
101.06073	4.0
103.05477	3.4
105.07035	26.5
107.04903	5.5
107.08583	23.0
109.06518	7.2
109.10143	8.1
111.04440	7.8
115.05450	18.6
116.98633	3.8
117.07027	8.7
119.08563	32.1
120.08073	4.1
121.06506	9.0
121.10159	4.3
123.08029	4.2
124.98682	3.7
125.09590	3.7
128.06206	6.2
129.06999	13.2
131.08577	30.0
133.06520	7.4
133.10124	24.9
135.08073	16.3
136.06175	5.1
137.05945	5.2
137.09596	3.6
139.03998	3.8
140.00200	5.9
142.07802	6.7
143.04898	6.3
143.08531	7.4
144.05702	7.2
145.10136	10.3
147.08028	18.0
147.11700	10.1
148.73044	3.3
148.74257	3.3
149.09627	3.1
151.11154	3.5
156.09358	8.3
157.06569	4.6
157.10146	11.7
159.11723	7.5
160.05167	29.6
161.09628	9.6
161.13237	5.7
171.11720	10.6
172.05139	6.1
173.13307	4.4
175.07538	100.0
175.11235	9.4
175.14853	5.5
177.12709	3.7
184.07498	6.3
187.07512	38.9
189.09102	5.9
189.12743	18.9
189.16354	4.8
199.11235	6.3
201.21577	3.3
217.12189	19.6
217.15826	5.1
235.13217	17.7
235.16922	25.0
243.29935	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	235.1329
Annotation	Pterosin N
Peak:m/z	Relative Intensity
55.05507	11.7
56.96553	9.4
57.03420	9.2
60.04531	8.6
67.05493	39.4
69.03426	18.0
69.07050	10.2
73.21780	7.6
79.05489	24.9
81.07064	43.4
83.04979	49.5
83.24026	7.2
85.02897	94.0
86.09699	14.8
91.05483	59.1
93.07035	100.0
95.04981	49.8
95.08613	39.1
99.04433	11.8
103.03966	10.4
105.07023	58.1
107.04978	17.0
107.08583	73.9
109.06513	14.0
109.10136	13.6
111.04353	10.3
117.07012	9.7
119.08579	62.7
121.06499	14.9
125.09645	24.5
129.06964	19.4
131.08572	27.1
133.06497	12.5
133.10127	76.2
135.08063	50.8
136.06238	49.3
137.06541	32.4
143.08536	16.3
147.08067	18.7
147.11644	17.1
149.06024	10.2
153.09189	11.9
155.08717	9.2
156.09355	15.3
157.10133	39.2
158.99744	9.7
159.08047	26.6
161.05991	10.5
161.09607	13.6
171.11726	26.8
174.90073	8.0
175.07654	9.1
175.11209	33.1
189.12772	29.5
199.11197	21.8
217.12212	84.8
235.13441	93.6
235.17010	20.3
249.36833	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	235.1692
Annotation	Davana ether
Peak:m/z	Relative Intensity
53.76961	3.2
55.05489	21.2
57.07064	33.1
63.38068	3.3
66.63951	3.2
67.05489	13.9
69.03422	4.9
69.07048	8.5
71.04981	4.3
79.05486	14.8
81.07055	16.4
83.04962	20.5
83.08616	10.6
85.06536	9.3
91.05485	22.1
93.07022	35.9
95.04955	6.7
95.08605	22.7
97.18282	4.8
105.07028	25.3
107.08594	17.4
109.06527	17.2
109.10172	7.5
110.45518	4.0
111.08096	6.5
119.08586	14.2
121.06513	12.3
121.10161	5.0
133.10156	15.6
135.08101	4.8
137.09653	15.1
145.61369	4.6
157.10207	4.7
161.09630	5.8
163.11174	29.0
174.69942	4.6
189.16496	8.1
217.15958	6.5
235.16904	100.0
235.19060	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	235.1693
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
55.05494	16.2
56.19529	5.1
56.96558	23.7
57.07068	94.5
59.04970	7.4
67.05481	19.7
69.07050	17.9
79.05486	15.6
81.07051	30.9
83.04968	16.3
85.06540	30.0
91.05477	20.0
93.07035	45.1
95.04959	13.9
95.08617	41.1
100.79469	4.3
102.09344	4.2
105.07031	30.8
107.08582	16.1
109.06509	13.7
109.10148	11.1
111.04456	6.1
111.08060	9.1
117.07015	5.2
119.08578	15.4
121.10146	11.8
122.68658	4.3
123.08083	7.4
123.11694	19.5
131.08574	8.1
133.10139	55.5
135.11656	5.7
137.05971	17.1
137.09578	11.5
147.11702	9.6
151.11171	100.0
161.09601	11.2
175.10971	4.9
176.81090	5.5
179.10701	32.0
187.07552	4.7
187.70741	5.0
189.16406	20.7
204.04684	4.6
217.15886	11.4
235.16891	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
55.01869	7.8
55.05505	27.7
56.96542	9.0
57.07069	89.2
57.44577	4.8
62.70825	3.7
67.05483	14.0
69.07047	7.8
70.20583	4.3
79.05484	85.5
80.24342	4.2
81.07038	22.1
83.04964	5.4
83.08607	35.0
85.06535	59.7
91.05477	25.4
93.07037	28.7
95.04945	15.4
95.08578	8.3
101.09972	5.4
105.00047	5.0
105.07021	29.0
107.08573	17.7
109.06493	8.8
111.08073	8.5
117.07020	6.0
119.08582	7.1
121.06468	16.2
125.09647	6.5
129.06975	6.2
133.06441	9.1
133.10139	17.4
137.09610	24.3
151.11215	36.0
161.09583	8.9
163.11153	39.1
189.12798	10.4
189.16319	5.3
203.74983	6.3
207.13898	7.9
209.31560	7.0
217.15919	38.1
234.95445	6.1
235.16937	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	(1R*,3E,7E,11R*)-(+)-5,5,8-Trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-1-carboxaldehyde
Peak:m/z	Relative Intensity
55.05502	27.7
57.07070	91.9
67.05492	24.3
68.49692	14.4
70.39775	12.8
71.36280	12.0
77.68723	15.4
79.05486	52.0
80.19308	12.5
81.07040	32.4
83.08611	26.5
85.06532	18.1
87.96210	13.3
91.05465	15.8
91.71063	19.4
93.07052	24.1
95.08655	20.2
105.07036	30.0
107.08568	25.0
119.07426	15.8
133.10112	23.5
133.47859	15.2
138.05537	19.4
151.11099	15.5
163.11192	16.8
163.13091	17.5
195.00624	29.5
204.81586	21.8
217.15840	33.4
218.88535	18.1
235.16856	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	10-Hydroxy-3-longipinen-5-one
Peak:m/z	Relative Intensity
54.60714	2.5
55.28307	2.3
56.96556	7.4
57.07068	13.7
60.85298	2.6
62.80970	2.2
64.09599	2.2
67.05489	7.6
69.03407	3.1
69.07064	5.6
80.04952	2.5
81.07045	4.7
83.05000	2.7
88.25439	2.9
91.05455	7.2
93.07041	5.9
95.04949	3.5
99.97880	3.0
105.07031	15.0
107.04950	2.8
107.08596	5.2
109.10165	7.6
117.06046	2.8
117.82810	2.4
119.05788	2.7
119.08546	5.1
121.06517	13.2
121.10158	2.4
133.10130	13.9
135.08002	15.8
145.10153	5.0
146.07251	7.4
161.09608	100.0
167.40083	2.7
175.14922	4.0
187.07578	8.3
189.16440	3.1
204.32072	2.7
217.15865	41.8
217.17769	3.5
232.01668	3.1
235.13371	5.5
235.16853	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1691
Annotation	Apo-11-zeaxanthinal
Peak:m/z	Relative Intensity
55.05507	10.9
59.04981	3.7
65.03922	2.8
67.05479	4.4
69.03417	17.6
69.07054	6.6
70.46738	1.9
79.05482	9.0
81.07050	14.7
83.04966	67.1
83.08577	2.2
91.05461	26.9
93.07021	13.3
95.04942	4.0
95.08587	10.5
97.06525	2.8
100.09287	2.3
105.07011	22.7
107.08579	23.0
109.06513	5.8
119.08579	33.6
121.06488	2.6
121.10142	7.6
123.08060	2.5
123.94369	2.5
125.09630	34.2
128.06219	2.4
129.06992	2.9
133.10114	14.3
135.08081	3.0
135.11647	11.4
137.09601	2.8
142.07784	6.4
143.08537	9.0
144.26251	2.2
145.10194	3.2
147.11639	4.8
149.09599	100.0
151.11209	6.5
156.09419	3.1
157.10159	7.2
161.09645	9.3
171.11647	2.6
175.11211	6.6
178.17375	2.3
179.10696	6.0
189.16400	7.5
192.03366	2.8
197.11723	3.2
199.14777	5.8
217.15852	14.6
235.16867	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	235.1693
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
50.52642	6.9
50.89148	6.9
53.00299	7.2
55.07727	6.6
56.96558	10.3
57.07061	97.2
65.70953	7.6
67.05480	30.2
69.07063	67.2
79.05521	12.2
81.03426	16.8
81.07040	37.0
83.04968	16.7
83.08606	14.0
85.06536	28.7
91.05492	23.5
91.65620	7.8
93.07021	51.0
95.01311	100.0
95.04951	23.9
95.08620	29.8
98.93115	8.7
105.07024	21.2
107.08592	15.7
109.06519	20.4
109.10167	21.4
119.08578	12.2
121.06463	21.2
121.10222	13.8
123.04486	13.4
123.11729	19.2
129.06940	10.8
133.10179	12.8
135.08078	9.0
141.06204	8.8
151.11186	75.0
157.10193	9.2
161.09572	14.5
179.40919	8.6
187.07576	16.3
196.69826	8.5
201.61617	9.2
217.15829	26.2
235.10977	12.2
235.13304	30.2
235.16866	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	235.1692
Annotation	5-(4-Hydroxy-5-methyl-1-methylene-5-hexenyl)-2-methyl-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
53.97919	2.0
55.05490	2.4
57.03410	5.1
57.07076	21.2
65.03914	3.6
67.05495	40.4
69.03439	2.9
69.07056	7.9
71.01359	2.8
71.04984	34.4
81.07033	8.6
83.08613	7.3
85.02892	7.5
85.06068	4.9
85.06534	53.9
91.05476	12.6
93.07040	8.0
95.01270	3.7
95.04961	4.0
95.08610	8.1
96.99050	2.3
105.07024	26.1
107.08588	10.6
108.46198	2.4
109.06518	11.2
109.10149	22.0
110.21477	2.4
115.05484	5.1
117.07028	6.6
119.08572	6.2
121.06526	10.2
123.08096	2.7
127.11191	81.8
128.06232	3.8
130.44786	2.7
133.10104	21.1
135.08043	55.4
145.53813	2.6
146.07246	7.5
151.11195	5.9
161.09599	100.0
164.74002	2.6
175.11105	5.6
189.16405	4.8
189.79677	2.9
217.15923	17.6
232.28218	3.0
235.16914	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	235.1691
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
57.05287	4.9
57.07066	76.8
59.05001	6.3
67.05505	35.6
75.50945	5.4
75.60538	6.4
79.05508	20.1
81.07068	20.8
83.04981	5.6
85.06525	45.2
91.05478	67.6
91.89032	6.2
93.07041	63.5
95.04971	45.1
95.08624	14.9
105.07069	20.0
107.08610	11.6
113.61491	7.2
117.07033	15.4
125.09682	26.0
131.08614	9.4
133.10187	27.7
137.09605	100.0
142.47342	7.6
143.08623	7.0
150.06859	6.0
157.10167	8.0
162.00212	7.3
175.72670	7.0
189.12851	6.4
217.15851	78.3
235.17088	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1691
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
53.51525	6.4
53.78921	5.5
55.05488	8.5
55.64029	5.0
57.07066	73.8
67.05491	40.1
69.07024	8.4
71.83659	6.6
73.66298	5.3
77.96400	7.2
79.05489	15.9
81.07048	18.7
81.76736	7.5
83.08604	7.6
85.06535	38.0
91.05473	62.1
93.07040	69.6
95.04949	44.1
95.08583	20.4
100.81383	6.1
104.59042	5.3
105.07010	17.3
107.08573	10.6
109.98959	8.8
112.71940	6.6
117.06992	9.9
119.95566	8.1
125.09653	21.7
131.08604	9.3
133.10127	23.9
135.08069	8.1
137.09621	100.0
143.08501	7.1
151.11177	9.3
153.97876	17.0
157.10069	8.0
161.09677	6.5
193.63806	7.3
195.00539	46.2
217.15849	73.6
235.16847	23.8
246.02048	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	235.1692
Annotation	Valerenic acid
Peak:m/z	Relative Intensity
51.59469	6.2
55.05494	15.0
55.56326	5.4
56.96547	8.8
57.07061	23.7
62.05856	5.7
62.67769	5.0
66.10242	5.2
67.05488	29.3
69.03435	7.5
69.07059	16.0
79.05470	23.0
81.07059	43.7
83.08615	9.8
85.06520	8.4
91.05489	38.5
91.71049	9.6
93.07024	79.4
95.04964	11.0
95.08579	38.9
99.04461	8.7
105.07015	81.4
107.08567	47.2
109.10169	18.2
111.08041	8.8
117.41814	6.8
119.08564	55.0
121.10153	27.9
123.29350	7.5
129.06989	8.1
131.84306	6.3
133.10104	50.9
135.07985	8.7
137.05917	9.2
147.11670	29.0
151.03871	7.1
151.11217	8.3
159.11708	20.7
161.09618	14.9
161.13228	100.0
179.10690	12.2
187.07591	27.4
189.16426	24.7
199.14857	10.5
217.15860	45.1
235.16939	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	235.1692
Annotation	10-epi-7,10-epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
55.05503	11.0
56.96542	26.0
57.07066	61.3
59.70792	6.0
67.05492	18.9
69.07060	15.7
79.05465	24.6
81.07048	42.8
83.04977	13.4
85.06526	21.5
85.31789	6.8
85.32402	6.9
91.05491	39.1
93.07026	31.5
95.04948	22.4
95.08615	39.9
99.21342	6.4
100.57725	7.7
103.05608	6.5
105.07008	49.7
107.04910	9.1
107.08572	25.5
109.06507	13.0
117.07031	12.3
119.08583	19.2
121.10226	7.6
123.08067	11.7
128.06226	12.8
129.06999	14.4
131.08493	12.2
133.06480	21.3
133.10153	24.5
135.08040	24.5
139.01860	7.5
141.72789	7.4
147.08022	16.3
149.09613	29.6
151.11118	12.7
151.72629	10.5
161.09642	20.4
171.11584	10.4
175.07581	10.8
175.11258	10.0
179.10666	12.0
187.07512	52.6
189.12762	17.0
195.67711	8.7
217.12230	21.8
217.15897	45.9
234.60138	9.3
235.13286	26.5
235.16878	100.0
248.43613	8.1
251.32805	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	235.2057
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
50.99599	2.3
55.05498	10.2
57.03426	3.1
57.07073	14.2
65.03934	2.8
67.05499	98.8
67.75438	2.3
69.03419	5.7
69.07071	14.7
71.08613	4.9
79.05495	18.6
81.07049	100.0
83.08614	7.4
85.06535	10.5
85.10208	2.5
87.68167	2.2
91.05482	19.6
93.07040	29.3
95.08601	78.5
97.06516	7.8
99.08088	6.3
105.07022	17.4
107.08579	10.1
109.09477	3.2
109.10150	23.3
111.08117	6.3
113.09715	2.2
119.08583	17.1
121.10134	17.7
123.08086	2.6
123.11713	18.1
126.28267	2.9
133.10135	14.9
135.11671	16.6
137.09592	4.2
137.13258	20.4
147.11685	9.2
149.13213	4.1
151.14848	13.0
161.13257	6.2
163.14818	3.2
175.14806	4.9
189.16348	3.0
191.17978	3.0
217.19478	32.4
235.17169	4.0
235.17978	3.2
235.20537	55.5
251.72418	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2057
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
53.03944	3.2
55.05521	12.7
56.96567	4.5
57.03429	3.0
57.07075	16.7
67.05497	100.0
69.07071	14.3
71.08646	4.4
79.05489	21.7
81.07047	93.3
83.08619	5.8
85.06559	7.0
90.51389	3.4
90.90969	3.6
91.05448	17.8
93.07035	22.2
95.08596	83.1
95.09144	5.8
97.06509	7.5
97.10188	4.6
99.08131	3.8
105.07061	11.1
107.08633	12.0
109.10149	19.4
111.08168	4.9
119.08624	12.9
121.10191	15.4
123.08129	4.6
123.11752	8.4
133.10117	17.4
135.11734	18.4
137.13319	15.0
138.12157	3.4
144.78650	3.5
147.11664	8.2
149.13287	6.2
151.14897	10.0
161.13286	6.0
177.16348	3.9
192.78770	3.3
217.19514	30.3
235.20584	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	235.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	9.4
59.40019	2.0
65.03898	3.7
67.05498	100.0
69.07062	9.6
72.75344	2.0
79.05487	22.2
81.07050	74.5
83.08603	4.2
91.05463	6.5
93.07043	24.4
95.08604	64.0
97.10165	3.2
105.07076	3.2
107.08592	13.0
109.10156	16.5
111.08057	2.7
113.74648	2.2
119.08578	4.3
120.50069	2.3
121.10137	31.6
121.41663	2.1
121.46268	2.3
123.11712	3.0
135.11684	30.4
147.11681	2.5
149.13272	3.6
174.36000	2.2
182.83560	2.3
183.32492	2.3
209.88988	2.3
217.19533	2.6
235.20592	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	235.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	7.5
62.25071	2.2
65.03933	4.1
67.05497	100.0
69.07052	7.8
71.30969	2.1
77.93529	2.5
79.05495	25.6
81.07047	78.6
81.98784	2.9
83.08607	7.9
91.05490	5.8
91.71611	2.6
93.07034	30.1
94.24066	2.4
95.08599	69.5
97.10197	2.7
99.51978	2.5
105.07053	3.3
107.08600	12.3
109.10171	19.5
119.08569	4.1
121.10136	34.5
123.11730	3.3
131.91151	3.1
135.11694	35.1
141.59427	2.8
145.76173	2.8
149.13333	3.9
160.54596	2.8
161.13330	3.4
217.19579	5.2
235.20575	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	235.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52304	3.2
55.05500	9.3
56.96549	4.5
57.07058	17.6
65.03952	5.4
66.42376	3.6
67.05495	100.0
69.07047	13.0
71.04976	4.4
79.05496	32.5
81.07041	78.0
83.08607	7.8
83.53596	5.0
85.06541	9.4
91.05462	12.4
93.07053	36.7
94.45793	4.1
95.04970	6.9
95.08602	69.6
105.07030	8.5
107.08595	16.1
109.10159	25.4
121.10142	29.5
124.58157	4.9
126.57390	4.2
133.10139	9.0
135.11703	34.4
137.09610	4.8
137.74037	4.0
159.90192	4.7
163.11154	6.5
203.86365	4.5
205.07915	4.1
217.15775	10.5
235.16908	19.4
235.20544	28.4
241.28087	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	235.2055
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
51.75988	3.3
55.05503	19.6
57.07072	4.1
67.05499	100.0
69.07057	21.4
69.82699	3.6
79.05499	26.1
81.07049	96.8
83.08618	16.3
91.05460	9.6
91.73185	3.2
93.07043	45.3
95.08604	81.8
97.10164	4.6
105.07037	4.6
107.08602	26.0
107.55790	4.0
109.10158	22.4
112.13097	4.0
121.10133	60.5
135.11685	57.3
137.89073	4.4
171.95078	4.4
217.19534	6.6
235.20572	58.3
250.93616	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2056
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
51.12257	2.9
51.84326	2.4
55.05507	20.3
65.03931	3.1
67.05496	100.0
69.07058	19.7
69.46584	2.9
79.05160	2.6
79.05493	28.9
81.06597	6.9
81.07049	93.9
83.08636	17.3
91.05479	15.0
93.07037	43.7
95.04936	4.5
95.08600	89.1
97.06530	5.7
97.10169	8.0
99.08060	3.9
101.07350	3.6
103.54203	3.5
105.07041	7.4
107.08607	22.6
109.10138	22.0
111.08051	4.4
111.14146	3.8
119.08591	4.0
121.10152	61.8
123.11745	5.4
133.10164	5.8
135.11693	53.7
144.93561	3.5
147.11670	4.1
147.69577	3.5
149.13275	4.3
169.81195	3.5
193.97603	3.5
217.19554	14.8
235.20552	92.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	8.6
65.03931	3.1
65.74448	2.2
67.05495	100.0
69.07053	7.5
79.05481	23.4
81.07046	80.9
83.08612	5.7
91.00483	2.8
91.05479	7.4
93.07030	31.3
95.08596	67.5
97.10161	3.4
103.12868	2.5
107.08609	15.6
109.10144	21.7
121.10144	30.2
123.11729	2.7
128.88815	2.3
133.10164	3.2
135.11671	36.1
140.92216	2.8
142.38792	2.5
149.13242	6.6
187.22144	2.6
202.20921	3.1
217.19600	6.2
235.20557	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2056
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
55.05504	16.4
57.07066	18.7
67.05498	79.8
69.07050	26.9
73.78043	8.6
79.05477	25.9
79.40359	11.6
81.07043	100.0
83.08617	10.3
91.05482	22.8
93.07037	38.2
95.08611	75.2
97.06549	19.8
105.07037	23.2
107.08585	43.5
109.10154	43.6
111.08105	9.3
119.08592	37.9
121.10162	37.9
123.11696	16.5
131.56059	8.9
133.10161	30.9
135.11693	34.4
147.11690	12.5
152.62538	9.0
161.09636	22.3
161.13161	18.8
175.14735	12.0
192.53929	9.2
214.28671	9.6
217.15964	20.7
217.19571	41.4
227.11942	12.3
235.16914	48.0
235.20515	61.7
243.32133	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2056
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
50.76505	3.5
55.05493	12.9
56.08811	3.2
57.07064	4.9
65.03917	5.0
66.93495	3.8
67.05495	100.0
69.07053	10.4
71.04993	4.1
79.05479	20.0
81.06595	8.0
81.07046	90.0
83.08596	9.5
91.05474	14.4
91.71037	6.3
92.21143	4.5
93.07035	30.3
95.08598	73.1
97.06492	4.5
97.92636	4.5
99.71790	4.2
105.07026	7.2
107.08582	13.6
108.19023	3.7
109.10156	20.9
113.09624	4.1
119.08566	5.8
121.10139	27.0
123.11715	11.8
133.10097	7.7
135.11694	22.7
137.13284	12.1
145.18382	4.4
147.11682	5.7
149.13298	4.2
151.14729	6.8
161.13281	6.0
205.40239	4.0
217.19516	18.4
235.20575	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	236.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57607	3.8
65.38145	4.4
68.65810	3.9
75.31259	4.9
86.45727	5.2
104.10767	6.8
118.69646	4.8
130.49075	4.7
134.65736	5.7
149.01131	95.5
162.04306	20.0
163.08800	6.2
166.32391	4.9
172.07785	5.3
173.80241	5.2
176.05898	13.9
177.06721	10.2
192.08984	12.4
236.07932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96540	8.0
67.05495	3.0
69.03385	3.6
70.06580	24.0
72.08139	11.8
79.05515	4.4
81.03403	13.3
84.08119	11.1
85.60651	3.2
86.06064	3.5
86.09690	9.9
87.06849	8.8
88.03987	4.5
88.07626	3.6
91.05463	19.0
95.04962	5.3
103.05453	8.2
105.07027	8.1
107.04965	11.9
109.02897	7.3
111.04421	3.4
118.06509	10.9
119.07317	72.9
120.08119	15.6
129.10249	7.1
131.04959	3.7
146.06067	3.3
147.04431	4.4
148.07567	5.6
162.12790	3.7
165.05731	3.0
165.40753	3.2
172.07469	4.0
172.11226	13.5
190.08624	6.7
190.12248	100.0
192.03883	3.9
192.06560	5.8
218.08185	5.5
236.09203	12.7
236.12775	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	236.1644
Annotation	Huperzine W
Peak:m/z	Relative Intensity
53.44831	3.7
53.55413	3.6
55.05492	9.9
57.07053	18.5
66.89106	3.8
67.05487	8.2
69.07043	5.6
79.05493	7.2
81.07031	14.5
83.08604	10.0
93.07030	12.4
95.08546	5.1
108.08076	4.8
109.06532	5.3
120.08096	12.4
134.09624	8.8
138.09135	6.5
146.09610	4.9
147.06738	7.8
148.07605	11.0
148.11198	9.6
148.97356	8.7
149.97101	5.0
161.12016	11.0
162.09142	19.6
163.09882	31.4
166.08614	12.5
176.14343	100.0
178.12257	6.4
191.16666	19.9
195.00508	10.4
203.13004	5.6
204.13837	7.8
219.16255	11.6
234.04312	4.5
236.16405	82.1
236.18652	7.9
250.71887	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	237.0758
Annotation	Orthosporin
Peak:m/z	Relative Intensity
51.70595	22.7
53.04913	23.1
54.73569	25.5
55.05499	35.7
57.07056	83.3
75.40506	23.7
81.03408	42.1
81.07037	37.7
83.04996	32.5
87.04461	41.4
91.05471	100.0
91.71642	60.4
95.04969	88.1
103.05446	90.5
111.04411	36.1
121.06547	29.1
123.04442	51.6
126.04266	37.2
131.04982	44.4
148.07552	35.0
151.38210	34.5
173.05983	57.1
173.98563	33.1
192.06509	88.8
193.04993	66.7
201.05428	56.2
219.06471	87.5
237.07552	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	237.0757
Annotation	Orthosporin
Peak:m/z	Relative Intensity
53.03941	5.2
53.31359	4.2
53.89959	4.3
55.01865	13.1
55.05525	5.7
57.07064	16.1
65.03937	8.3
69.07068	6.1
72.63187	4.4
73.41380	4.4
81.03426	8.7
81.07017	5.7
87.04440	6.0
91.05470	84.5
93.07040	13.3
95.04963	75.0
103.05468	40.7
105.07021	7.9
107.04964	10.4
109.06556	5.4
115.05470	13.0
117.07019	8.0
119.04947	25.0
121.06511	26.0
123.04418	43.4
128.04880	5.6
131.04921	29.7
133.02829	15.2
137.06020	7.6
145.06496	35.5
147.04413	35.4
148.07567	5.8
149.05927	26.8
150.92264	5.0
161.02353	6.5
161.06073	6.2
163.03868	7.2
163.07574	5.0
173.05977	41.0
174.84846	6.8
175.03886	7.7
176.04677	15.1
177.05467	25.6
178.06248	7.9
191.07001	6.7
192.06583	17.1
193.04945	64.6
201.05400	26.4
219.06491	100.0
219.08441	7.4
231.21022	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	237.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
56.05011	0.9
56.99158	0.7
60.04507	2.1
65.90063	0.6
69.03413	0.8
69.20525	0.7
70.06570	3.5
71.04972	1.5
72.08152	5.3
72.98984	0.7
74.02428	7.3
75.73547	0.7
80.05019	1.5
81.03417	8.1
84.04491	4.1
84.08125	2.8
85.02880	1.4
86.09685	3.4
90.05579	1.2
91.05460	1.3
91.15231	0.8
91.71667	0.9
95.04964	0.8
98.06043	4.1
108.08094	1.3
109.02851	4.4
116.07117	1.6
117.05769	1.0
118.06531	4.9
120.08134	2.2
127.03970	1.1
128.04970	4.2
130.04993	1.8
130.06503	1.8
133.05222	1.0
136.06296	1.3
136.07471	1.0
146.05997	100.0
147.06790	5.5
148.07559	10.4
150.05807	1.3
159.09183	1.1
174.05498	1.4
175.08685	0.9
187.08693	1.1
191.08144	1.2
192.06537	42.2
219.07942	1.5
219.11320	2.2
233.22966	0.8
237.08794	6.2
237.12204	4.5
239.34454	0.8
250.79556	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.087
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
50.32860	0.5
54.23646	0.6
56.60015	0.6
63.26485	0.6
65.03480	0.6
70.06565	2.0
70.13252	0.7
72.08141	2.6
74.02431	5.2
80.04996	0.9
81.03400	4.1
82.39462	0.6
84.04485	1.5
84.08125	1.2
85.02869	0.7
86.09692	1.8
91.05465	1.2
96.46615	0.7
99.08678	0.8
109.01134	0.7
109.02881	2.2
117.05706	0.7
118.06546	3.4
120.08125	1.4
128.04945	3.9
129.10216	1.0
130.06535	1.6
146.06004	100.0
147.06757	2.6
148.07600	4.8
192.06541	24.6
237.08879	3.7
237.12328	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	237.112
Annotation	3-Dimethylallyl-4-hydroxymandelic acid
Peak:m/z	Relative Intensity
55.01849	3.0
55.05487	5.3
56.96552	1.4
57.07053	2.9
57.67037	1.2
65.03941	2.6
67.05131	1.3
67.05493	25.2
68.77577	1.4
69.03403	1.9
69.07040	3.4
71.04995	10.5
79.05467	9.5
81.03417	1.9
81.07060	8.5
83.04948	6.4
83.05396	1.4
83.31617	1.2
85.06516	1.2
89.48128	1.2
91.05465	6.0
93.07037	8.2
95.04936	2.8
95.08582	6.0
97.06538	6.9
97.16022	1.2
104.33539	1.3
105.07014	7.8
107.04955	3.8
107.08566	6.4
109.10166	2.3
117.06985	4.1
119.08570	3.8
120.25227	1.4
121.06448	2.4
121.10138	2.2
125.09624	1.7
130.07726	2.4
131.08553	6.5
133.10092	2.5
135.04391	8.2
135.08057	3.6
137.09654	1.5
145.10065	7.5
149.09607	4.1
153.05460	59.5
163.03833	2.5
163.11163	5.1
173.09546	8.6
173.13286	3.6
177.09111	1.9
191.10674	24.6
191.14314	5.2
192.06563	4.6
201.12738	2.7
205.97392	1.5
219.10138	5.8
219.13727	10.4
237.11195	100.0
237.14635	6.9
259.17603	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	237.1234
Annotation	Phe-ala
Peak:m/z	Relative Intensity
55.05486	1.1
68.05001	1.2
70.06585	2.9
72.08147	6.1
81.03409	7.0
84.04478	3.2
84.08126	5.9
85.02877	2.0
86.09695	4.3
93.06995	2.5
98.97560	1.3
103.05457	4.2
105.87431	1.2
108.04508	1.5
109.02866	3.4
118.06514	4.7
120.08099	100.0
129.10211	3.2
130.06512	2.4
131.04935	2.7
136.07539	1.3
146.05998	11.2
147.06786	4.0
148.07591	6.8
149.05966	2.6
157.69760	1.2
164.07150	1.8
166.08626	59.3
170.82433	1.1
175.03873	1.8
181.02861	1.7
191.11833	2.5
192.06561	32.2
192.08331	2.1
237.07373	1.5
237.08849	2.6
237.12390	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	237.1233
Annotation	Phe-ala
Peak:m/z	Relative Intensity
55.01851	1.1
56.05011	1.2
56.21396	0.7
56.96560	4.4
57.03416	0.9
57.07055	1.6
65.03943	1.2
67.05490	3.0
68.05038	1.0
69.03408	1.5
69.07074	1.0
70.06571	4.6
71.04977	2.4
72.08141	3.7
75.99437	0.7
80.05013	2.9
81.03409	14.4
81.07025	1.3
83.04955	2.0
84.04502	6.5
84.08109	4.4
84.34464	0.8
84.44933	0.7
85.02901	3.3
86.09676	2.4
90.05556	1.0
91.05483	2.7
93.07037	3.3
94.06570	1.1
95.04955	3.4
96.04480	1.0
99.04446	1.5
103.05462	6.9
106.06560	1.3
108.04474	3.2
109.02872	8.2
109.06545	1.1
111.04417	1.2
113.06004	1.2
114.05476	1.6
116.98617	1.5
117.06998	0.9
118.06528	8.9
119.08575	1.0
120.08099	100.0
124.03937	1.1
126.05521	1.9
127.03888	1.3
129.10205	1.8
130.04997	2.9
130.06520	3.4
133.05234	2.0
135.08061	1.0
135.66632	0.8
136.07622	2.7
138.38525	0.8
139.03912	1.1
142.04950	1.1
145.07545	1.3
146.06000	11.7
147.06781	9.0
148.07562	16.9
164.07088	2.4
165.30438	1.1
166.70544	1.0
174.05490	2.0
178.08533	1.1
187.03902	0.9
191.08217	1.2
192.06543	70.5
209.09308	1.5
211.07596	1.2
219.11401	1.4
220.05939	1.1
222.05286	2.2
237.05238	1.4
237.08665	5.5
237.12401	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	237.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
55.01864	9.2
55.05513	15.0
56.96553	8.7
57.03425	6.0
57.07064	3.4
59.99758	2.5
63.37049	2.2
67.05132	2.5
67.05497	49.7
68.74763	2.0
69.03412	7.3
69.07060	71.5
71.04984	8.8
75.86101	2.3
79.05488	18.5
81.03414	9.1
81.07054	29.5
83.04977	10.0
84.04498	10.3
85.02906	28.0
87.04459	13.1
91.05492	21.7
93.07035	34.3
93.62183	2.5
95.04977	7.9
95.08606	67.1
97.02892	4.2
97.06534	8.1
98.97607	4.0
99.04468	11.2
100.51780	2.6
102.05569	5.4
105.07028	20.0
107.04951	5.8
107.08572	21.8
109.02897	3.4
109.06522	4.2
109.10145	23.8
111.04416	3.6
111.11701	6.4
113.05958	2.7
115.05518	3.6
117.07041	12.6
118.06528	13.6
119.08577	14.4
121.06518	12.3
121.10152	10.4
123.08092	3.9
123.11725	3.0
125.05961	2.8
129.06982	2.6
130.05006	66.9
131.07335	6.5
131.08577	16.0
132.08089	3.1
133.10133	7.4
135.08093	9.4
135.11710	3.7
137.05940	2.7
137.09615	8.1
145.10147	10.1
146.06100	4.1
146.09659	17.1
147.04468	4.5
147.11644	2.9
148.07588	4.6
149.09624	5.7
151.11172	3.9
157.10123	3.2
159.04480	3.1
159.11665	18.6
161.09622	3.5
163.07497	4.0
163.11104	3.8
173.13307	11.7
174.09143	100.0
175.03903	7.9
177.12756	5.9
183.11690	6.9
183.73978	2.8
191.11858	7.5
191.14357	9.2
192.06531	18.2
201.12778	14.0
219.13811	26.4
220.09669	57.6
237.08876	5.0
237.12334	9.6
237.14862	25.3
237.18501	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	237.1484
Annotation	2-[4-Methyl-2-(2-methylpropoxy)phenyl]-oxiranemethanol
Peak:m/z	Relative Intensity
55.05490	9.0
55.73726	8.4
57.07065	82.8
69.07043	16.4
79.05488	100.0
81.07053	36.6
85.06065	12.2
85.06542	41.1
91.05458	16.5
93.07041	37.4
95.04972	21.5
95.08585	17.5
105.07029	43.0
105.20585	10.5
107.08608	33.2
121.10201	12.1
131.08553	13.8
135.11699	16.8
137.05966	19.9
145.10147	20.3
163.11214	41.9
179.14328	18.6
189.12779	39.9
192.06564	16.1
197.00182	15.4
219.13892	19.0
232.86472	11.8
237.14815	27.2
237.18529	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	237.1484
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
51.86666	7.2
55.01860	21.8
55.05497	23.0
55.90075	8.3
57.03415	14.3
57.07065	17.4
65.03941	11.6
67.05495	85.8
68.13066	8.1
69.07042	31.0
71.04984	46.9
78.44053	9.1
79.05479	67.1
80.13175	9.2
81.03413	13.8
81.07049	68.1
83.04968	20.2
85.02895	22.1
85.06535	25.9
87.04436	14.3
91.05469	68.7
93.07024	87.7
95.04959	23.8
95.08599	75.2
97.06521	38.1
99.04423	22.8
99.08068	15.6
105.07033	48.6
107.04929	22.4
107.08583	28.5
107.14365	9.1
107.22415	8.7
109.06511	19.2
109.10153	33.0
111.04490	12.9
111.08073	17.0
114.65479	9.6
117.07008	40.5
119.08595	32.2
121.06503	41.4
121.10120	20.9
123.08060	20.8
129.06975	16.1
131.08549	59.3
133.10146	27.1
135.08052	28.4
135.11690	9.8
137.05945	12.6
137.09619	19.0
145.10092	24.6
147.08075	12.2
149.05952	10.5
149.09555	13.7
149.13290	10.8
151.07539	11.0
155.69695	8.7
157.10149	16.7
159.11627	56.1
163.03969	9.8
163.07521	20.5
167.10800	9.5
173.09560	12.1
173.13301	40.3
177.12738	21.1
183.11708	11.7
191.14336	24.3
192.06566	19.5
201.12820	28.8
219.13774	77.0
237.14810	100.0
259.67929	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	237.1485
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
55.01856	10.4
55.05500	13.0
55.27636	2.7
57.03434	8.5
57.07072	5.3
59.83938	2.6
65.71282	3.3
67.05492	49.4
69.07050	16.1
71.04980	8.3
79.05495	20.2
81.03412	12.2
81.07049	27.0
83.04987	11.0
83.08623	3.6
85.02896	17.4
87.04468	10.1
91.05467	23.2
93.07037	51.3
93.65932	2.9
95.04974	14.0
95.08601	100.0
97.02840	5.0
97.06538	5.9
99.04437	20.6
105.07014	18.7
106.91745	3.3
107.04994	3.5
107.08575	23.6
109.06518	9.0
109.10136	34.7
111.04465	6.3
117.06991	19.4
119.08563	29.9
121.06496	7.6
121.10125	16.1
121.60832	3.6
123.08102	6.6
123.11718	5.5
125.02355	5.9
125.05975	4.2
127.03941	4.6
131.08572	19.2
133.10139	7.8
135.08084	9.3
135.11725	5.7
137.05983	8.5
137.09630	12.4
145.10146	7.5
147.11728	5.2
149.09636	6.7
151.07512	5.5
155.08594	5.7
156.62431	3.9
157.10114	5.7
158.02690	3.2
159.11661	28.8
161.05881	4.8
163.11227	4.4
173.13283	20.0
177.12741	15.4
183.11711	7.5
191.14284	21.8
192.06506	10.1
201.12779	15.8
219.13791	50.2
237.14821	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1484
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
53.03930	7.5
55.01861	10.3
55.05500	18.0
57.03430	39.9
63.89206	5.5
65.03922	5.2
67.05166	10.0
67.05495	100.0
69.03400	20.2
69.07040	13.2
69.78536	6.4
71.04984	21.3
79.05470	34.4
81.03412	57.5
81.07045	28.9
83.04977	16.5
83.55682	5.7
85.02887	22.6
91.05473	27.6
93.07045	45.4
95.04970	21.4
95.08599	85.1
95.77883	5.8
99.04456	64.8
101.02377	11.0
105.07027	21.0
107.08578	20.3
109.02873	14.5
109.06505	15.3
109.10161	51.9
111.04436	13.4
115.17062	6.5
117.07013	35.6
119.08594	25.1
121.06501	8.9
121.10154	16.0
123.08057	7.4
127.03908	27.4
131.08534	35.1
135.08044	16.4
137.09604	48.5
145.05035	9.8
145.10162	11.4
149.09665	12.2
151.07585	10.5
159.11702	33.5
163.07491	9.2
173.13222	18.0
177.12756	14.7
183.11684	7.7
191.14328	16.5
195.13925	8.1
219.13831	45.4
237.14900	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1484
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
55.01865	4.1
55.05492	11.7
55.05732	3.2
57.03406	10.0
57.07048	5.0
67.05492	56.1
69.03416	7.3
69.07045	7.2
71.04976	8.5
78.24289	2.8
79.05478	16.5
81.03415	7.2
81.07047	23.4
83.04963	5.5
85.02897	29.1
87.04472	5.3
91.05481	24.8
93.06474	6.0
93.07030	42.8
95.04968	12.6
95.08600	100.0
97.06528	3.7
99.04442	10.4
100.61251	3.2
105.07037	15.0
107.05003	4.1
107.08593	15.2
109.06525	4.9
109.10143	53.9
117.07022	13.2
119.08599	30.0
121.06528	8.0
121.10154	9.6
127.31064	3.5
131.08578	13.8
133.10165	5.8
135.08078	9.0
135.11664	4.3
137.09604	19.6
139.11160	5.0
149.09598	8.0
151.07603	6.3
158.82365	4.5
159.11649	20.2
173.13289	11.3
177.12695	6.4
183.11674	6.5
191.14348	16.1
192.06644	4.0
201.12712	8.1
219.13844	31.8
221.75781	3.5
237.08728	5.4
237.14847	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1485
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
53.78058	14.5
55.01856	26.9
55.05499	37.4
56.96527	13.1
57.07062	25.2
58.36251	11.8
60.04531	38.8
64.67966	11.7
67.05504	89.8
69.07053	53.4
70.06580	14.6
71.04996	40.3
74.02425	17.1
79.05471	92.6
81.03392	33.3
81.07040	87.9
85.06528	52.3
91.05470	77.8
93.07043	100.0
95.04960	29.2
95.08599	66.2
97.06533	42.4
101.41975	17.9
105.07026	50.0
107.04945	18.3
107.08628	44.2
111.08076	54.2
117.07014	20.9
117.45917	17.9
119.08566	24.0
120.15234	15.2
121.06508	57.3
123.08109	30.1
131.08531	38.3
133.10120	37.5
135.08063	40.5
137.09579	15.5
145.06451	16.1
145.10155	26.1
145.26698	16.5
157.10088	19.0
159.08055	20.9
159.11700	31.8
161.43364	17.1
177.12782	19.4
183.11639	24.3
192.06592	70.9
219.13779	38.0
237.14896	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	237.1484
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
54.35477	5.5
55.01854	10.2
55.05496	23.4
56.96561	7.3
57.03428	18.2
63.02605	6.1
67.05495	76.2
69.03413	9.4
69.07060	18.0
71.04981	18.6
74.87169	7.4
79.05479	31.4
81.03419	20.5
81.07047	49.5
83.04965	12.5
85.02892	35.4
87.04461	33.9
91.05475	27.1
93.07022	45.1
94.72252	6.4
95.04972	15.2
95.08598	100.0
97.06580	6.4
97.86155	6.8
99.04436	43.6
105.07043	25.7
107.04983	9.8
107.08575	24.8
109.06538	11.5
109.10145	33.5
110.79987	9.6
111.04450	13.8
115.03985	11.2
117.07006	26.3
119.08591	17.7
121.06525	14.6
121.10149	16.3
123.11729	8.5
123.51707	7.8
127.03883	14.6
131.08565	27.6
133.10158	13.0
135.08052	20.2
135.11671	8.8
137.09595	15.7
144.95244	8.0
145.10121	10.6
148.83759	7.2
149.09587	10.4
151.49628	7.8
159.11719	33.2
173.13260	25.0
177.12779	20.3
178.50104	6.8
191.14339	17.7
192.06557	12.3
201.12840	11.6
207.28369	7.8
219.13719	48.9
237.14764	49.2
254.75609	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1484
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
53.03924	2.3
55.01855	9.2
55.05512	14.6
56.96548	2.6
57.03407	5.9
65.40118	2.7
67.05492	46.1
69.03423	4.0
69.07051	9.7
70.05508	2.6
71.04974	3.8
71.45794	2.6
73.02948	3.4
79.05479	21.8
81.03429	5.8
81.07047	21.8
83.04974	10.2
83.92389	2.5
85.02880	15.4
85.06513	2.8
87.04451	9.0
91.05458	24.7
93.07039	33.9
95.04967	12.2
95.08593	100.0
97.06505	7.1
99.04465	14.1
102.55399	2.4
105.07021	12.8
107.04935	5.2
107.08589	9.7
109.02861	2.9
109.06521	6.7
109.10146	41.5
111.04400	5.1
117.07024	9.1
119.08560	24.5
121.06516	11.6
121.10134	13.5
123.08063	4.6
125.05994	4.9
127.03876	4.9
131.08580	13.4
133.10092	5.0
135.07994	6.0
135.11711	3.5
137.09642	14.7
143.08574	3.7
145.08887	3.4
145.10115	10.2
149.06053	3.3
149.09615	4.7
149.13235	4.2
157.10138	5.8
159.11713	22.6
163.07625	4.0
173.13245	6.7
177.12778	11.5
183.11757	8.3
191.14308	8.4
192.06541	7.8
201.12744	10.7
219.13791	34.5
237.14787	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	237.1483
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
51.09943	10.4
52.06390	10.2
53.03930	12.5
55.01864	30.0
55.05494	26.9
57.03439	17.3
57.07064	32.4
60.00404	12.5
60.94327	11.8
62.54221	14.1
63.67621	14.4
67.05479	61.6
69.07062	76.7
71.04965	31.1
73.53568	12.8
74.83430	12.8
79.05480	79.0
81.03426	21.0
81.07063	79.0
83.04945	26.3
85.02898	29.2
87.04446	14.4
91.05467	49.4
93.07046	99.8
95.04978	22.7
95.08587	100.0
97.06515	30.3
99.04429	15.8
105.07012	22.6
107.04902	16.6
107.08566	35.4
109.10156	47.2
115.03984	22.1
117.07031	34.2
119.08595	38.4
120.24357	14.9
121.06513	43.4
121.10141	32.7
123.08051	18.1
124.49513	17.4
131.08549	28.0
133.10130	30.6
135.08063	38.1
145.10104	22.1
159.11717	57.4
171.40373	15.5
173.13266	19.4
175.21948	14.6
177.12720	21.4
191.14354	25.9
192.06560	21.9
198.08472	15.2
201.12856	27.6
213.55099	14.8
219.13800	50.1
237.14833	98.0
237.18643	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1483
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
53.03939	8.0
53.57335	6.4
53.74551	7.0
55.01849	27.0
55.05494	29.1
57.03421	20.7
57.07056	19.8
59.78722	7.7
62.70751	8.5
65.03921	9.0
67.05496	94.1
69.03419	25.6
69.07051	27.0
70.73356	9.4
71.04979	30.6
73.02892	10.1
79.05495	49.8
81.03419	48.7
81.07040	67.4
83.04948	24.3
83.08546	10.6
83.14204	8.9
84.04501	10.3
85.02904	41.7
87.04449	31.7
91.05476	48.6
93.07034	92.8
95.04963	29.0
95.08594	86.4
97.02892	15.5
97.06484	21.1
99.04436	23.2
101.02377	13.5
105.07018	39.1
107.04922	20.7
107.08585	44.8
108.04449	12.4
109.02883	10.5
109.06478	14.4
109.10153	39.9
111.04412	13.4
113.02399	10.0
117.07031	27.8
118.06534	9.5
119.08569	28.6
119.82570	7.9
121.06529	27.2
121.10145	33.2
123.08068	13.1
123.11700	11.4
125.02354	12.3
131.08546	27.1
133.10101	25.2
135.08061	36.5
135.11679	14.1
137.05882	8.5
137.09637	22.4
139.11179	16.7
145.10141	15.7
147.11707	12.1
149.05898	13.2
149.09622	9.6
151.07565	20.8
156.57771	9.2
157.10178	10.3
159.11667	46.0
163.07552	10.1
173.13251	24.2
177.12741	43.6
191.14345	48.4
192.06544	32.7
201.07600	10.1
219.13818	100.0
219.17207	10.0
237.14769	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	237.1486
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
55.01862	22.1
55.05489	15.4
64.37273	6.2
67.05228	7.1
67.05499	78.5
69.03409	10.4
69.07059	25.1
71.04982	26.0
79.05495	43.2
81.03375	9.6
81.07045	70.3
81.65675	7.4
83.04955	16.3
85.02911	45.1
87.04459	50.4
91.05473	40.0
91.71546	7.4
93.07043	74.8
93.79778	8.0
95.04977	10.2
95.08604	100.0
97.06525	20.8
99.04450	15.6
101.02364	16.3
105.07029	34.9
107.04878	8.5
107.08585	32.2
109.06457	6.8
109.10147	49.5
111.04427	12.6
113.05952	7.8
115.03930	24.2
117.07003	24.6
119.08604	28.0
121.06489	16.5
121.10143	30.0
123.08067	13.6
123.11721	21.1
131.08583	30.0
133.10161	12.7
137.09578	14.0
145.10126	17.1
147.08127	7.2
147.11676	7.6
151.07538	14.1
159.11676	43.8
173.13307	17.1
177.12738	14.9
183.11713	8.0
191.14302	24.4
192.06566	30.0
201.12769	20.5
219.13779	58.3
237.14861	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	237.1483
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.47940	7.8
55.05513	53.4
55.29163	9.3
56.96551	20.0
67.05492	17.6
68.05020	8.5
69.07059	32.7
75.88602	10.7
76.18857	10.1
79.05476	18.1
81.07043	36.6
83.04978	95.0
83.08603	70.8
91.05460	15.5
93.07037	25.7
95.04987	14.1
95.08593	43.9
97.06578	12.8
105.07018	14.5
107.08588	40.7
109.06511	12.1
109.10150	41.3
111.04463	43.9
111.08027	12.8
113.09612	16.0
119.08579	20.7
121.06501	29.8
121.10143	33.3
123.11656	13.8
125.09608	11.3
132.97461	9.9
133.10164	21.4
135.08070	14.8
135.11755	12.3
136.08823	33.0
137.09613	33.6
148.07576	17.6
149.13263	34.2
153.09126	11.8
159.11667	17.7
161.09644	22.8
177.12743	37.3
179.10683	76.5
183.36758	11.1
192.06561	96.2
195.13852	75.5
237.08591	13.4
237.12428	20.7
237.14764	100.0
256.11414	12.2
258.35562	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	237.1484
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
55.01857	28.9
55.05511	26.9
56.96567	11.4
57.03411	19.8
57.07055	21.3
60.00999	9.6
60.06781	9.8
65.13257	10.1
67.05497	87.3
69.07060	58.6
71.04984	23.0
72.75654	9.4
79.05473	54.4
81.03403	32.1
81.07034	71.7
83.04976	28.5
84.70612	9.6
85.02894	76.2
85.84484	11.5
88.12035	11.2
91.05473	42.7
93.07037	91.3
95.04958	21.6
95.08595	81.6
97.02883	26.6
97.06526	22.0
99.04433	19.3
101.02362	15.6
105.07024	50.7
107.04942	33.3
107.08609	33.2
108.04424	18.9
109.06473	12.5
109.10152	12.4
111.04426	23.6
113.05988	21.1
117.07011	44.0
118.06595	11.9
119.08542	28.0
121.06485	39.2
121.10137	38.7
123.08004	18.1
125.02370	19.7
131.08588	45.2
133.10114	19.9
135.08044	55.3
135.11682	15.7
137.09570	25.1
139.11172	25.1
145.10101	25.4
146.09752	20.7
146.72116	11.2
147.11633	15.8
148.07631	13.6
149.09648	22.0
149.13264	18.1
151.07535	27.3
151.11182	16.9
157.10080	14.3
159.11662	54.3
163.07492	18.4
173.13260	25.7
174.09189	17.9
177.12732	49.1
191.14348	57.6
192.06557	44.7
192.10190	15.0
201.12732	15.2
219.13802	72.8
221.80756	14.5
237.14761	100.0
238.10869	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	237.1847
Annotation	Atlantolone
Peak:m/z	Relative Intensity
55.05511	6.2
56.96576	2.5
57.07068	54.7
66.31919	2.3
67.05499	29.2
69.07066	8.0
69.67685	2.4
70.35131	2.3
72.93800	5.7
79.05490	21.4
79.80554	2.7
81.03421	3.0
81.07045	66.7
81.07475	4.8
83.04959	3.8
85.06533	47.9
90.94772	3.0
91.05494	8.9
93.07038	28.1
93.07507	2.9
95.04961	16.5
95.08595	83.9
105.07047	12.4
107.08632	4.3
109.10181	6.8
109.15875	3.2
111.98496	11.0
113.96440	3.2
117.07000	3.0
119.08615	11.1
121.10175	3.8
124.47024	3.0
125.09669	5.6
131.08620	8.6
132.95850	4.2
133.10152	3.5
135.11752	4.7
137.09625	47.6
145.10152	7.2
147.14532	3.2
149.18652	3.1
150.96933	8.5
151.11165	7.5
153.01189	5.3
155.97411	17.7
163.11116	15.7
173.98563	13.2
175.36063	3.8
197.00067	36.5
201.16451	4.7
205.85925	3.5
219.17430	100.0
222.87772	3.2
237.18532	10.8
237.79340	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	237.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98772	1.9
52.75317	2.2
55.05500	3.4
56.96533	2.5
57.07067	19.6
62.70399	2.0
67.05480	11.2
69.07059	5.1
70.95859	14.2
72.93770	9.7
79.05471	6.9
81.07036	11.0
85.06547	16.9
85.80282	2.6
91.05500	2.6
93.07021	9.4
95.08589	27.4
105.07035	3.2
109.02882	3.4
109.06548	2.5
109.10157	4.6
111.98473	18.1
113.96375	9.4
117.64524	2.7
119.08612	4.3
129.99495	5.1
131.08481	5.1
132.95866	13.7
135.11665	3.6
137.09616	28.9
150.96846	17.7
153.01099	18.5
155.97414	35.0
163.11179	3.6
173.98497	17.9
192.06624	3.2
196.00417	9.9
197.00073	100.0
215.72896	2.5
219.17409	21.1
237.18489	10.0
238.02650	3.8
244.69006	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	237.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57786	5.8
53.77780	6.7
56.96548	9.0
57.06826	9.5
57.07064	91.4
57.27985	8.2
58.07399	14.8
63.48301	8.0
67.05485	34.5
68.87282	7.3
69.07049	9.9
70.95833	13.0
76.69608	8.0
79.05461	17.5
81.07056	54.1
85.06532	38.6
88.74103	8.9
91.05462	23.0
91.71600	9.8
93.07020	20.2
95.04956	22.6
95.08595	100.0
105.07023	12.6
111.98471	26.2
119.08547	12.9
126.19926	9.1
132.95831	11.6
137.09662	31.9
145.10106	9.0
150.96899	12.0
153.01102	15.4
154.97749	10.8
155.97424	24.2
163.11240	11.9
173.98503	20.8
178.33441	9.2
181.11201	11.1
192.06569	43.2
196.00481	16.2
197.00078	96.4
210.27129	9.1
219.17467	85.1
236.17239	20.4
237.17435	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	237.1847
Annotation	Atlantolone
Peak:m/z	Relative Intensity
55.05492	7.9
57.07074	61.7
59.72446	5.2
61.58368	5.0
66.65776	5.8
67.05499	43.1
69.07046	17.1
70.95867	8.0
73.69026	5.1
79.05485	22.1
80.57995	5.7
81.06585	10.2
81.07042	85.7
83.36365	5.8
85.06525	38.3
93.07027	27.1
95.04964	25.5
95.08593	87.3
105.07017	10.3
107.08604	7.4
109.10168	11.2
111.98470	16.7
116.05999	5.6
121.06570	6.3
125.09596	12.4
125.37888	6.6
131.08557	6.2
135.11662	10.9
137.09639	54.6
137.10542	9.0
145.10139	8.2
147.08067	7.3
150.96857	11.5
151.11218	15.2
154.97791	7.1
155.97369	32.1
163.11142	15.2
173.98494	12.7
192.06474	31.1
192.15236	5.9
196.00452	14.5
197.00046	100.0
198.09398	6.3
219.17422	99.7
234.96582	7.1
237.18564	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	237.1848
Annotation	Atlantolone
Peak:m/z	Relative Intensity
55.05511	5.5
57.07067	59.7
65.33121	2.6
67.05495	32.3
69.07064	15.6
70.95851	5.4
71.04978	4.3
72.93805	4.7
79.05489	10.0
81.07040	14.6
83.05020	2.9
85.06535	37.3
91.05493	10.7
93.07037	36.5
95.04983	4.5
95.08600	91.0
99.78299	2.5
105.07067	8.1
107.08604	11.9
109.06529	11.9
109.10163	6.0
111.98493	8.4
113.09715	3.3
117.06987	4.1
119.08565	16.3
121.06527	4.2
121.10159	2.9
123.08109	2.9
125.09640	9.7
131.08586	3.3
132.95854	7.8
133.10211	7.5
135.11676	15.8
137.09615	100.0
145.10086	15.7
150.96918	7.2
151.11188	4.4
153.01135	5.1
155.97452	15.3
159.11691	3.6
163.11220	7.6
163.14865	4.4
173.98544	9.3
177.14778	5.6
192.06616	3.5
197.00079	23.6
201.16489	7.0
219.17430	37.2
229.79468	3.0
237.18521	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	237.1847
Annotation	Atlantolone
Peak:m/z	Relative Intensity
53.28592	2.7
55.05530	3.8
56.96553	4.2
57.07069	52.9
57.21161	2.5
59.04992	3.7
60.37955	2.5
60.50884	2.4
61.30794	3.0
64.85258	3.0
67.05501	32.7
67.05786	2.9
69.07069	6.9
70.95866	5.1
75.15914	2.7
79.05488	28.8
81.03413	4.3
81.07049	67.5
81.07475	4.9
85.06527	51.2
91.05515	10.0
93.07027	32.8
95.04964	21.0
95.08601	90.9
97.06528	4.8
105.07065	11.7
107.08609	11.2
109.10172	10.0
111.98512	11.6
119.08617	10.8
125.09676	9.8
130.28569	3.1
131.08598	11.5
132.95868	9.5
133.10197	5.5
135.11760	4.6
137.09605	48.1
137.10579	3.8
150.96959	9.5
151.11247	12.6
153.01155	5.2
155.97438	17.0
163.11214	15.6
173.98605	9.7
196.00490	4.9
197.00111	33.0
219.17448	100.0
237.18550	13.1
239.10625	4.1
247.13080	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	237.2212
Annotation	Bombykal
Peak:m/z	Relative Intensity
55.05507	26.2
57.07067	4.8
67.05499	91.5
69.07067	19.9
71.04970	5.4
79.05490	16.0
81.07051	100.0
83.08620	27.5
91.05502	3.2
93.07037	26.2
95.08603	65.3
97.10171	12.7
107.08589	10.7
109.10162	19.1
121.10136	21.0
123.11708	16.8
135.11696	18.6
137.13255	6.8
149.13243	3.2
171.25031	3.0
174.84340	2.8
181.06851	2.8
192.06570	4.1
194.91238	2.6
202.21831	2.7
219.21129	3.4
237.22112	11.4
248.85306	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	238.1072
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
51.66386	4.2
52.70667	3.4
57.07052	7.8
61.28262	4.2
65.34154	4.4
67.05484	3.9
68.05009	9.4
71.27663	4.7
75.89569	4.1
81.07037	6.5
84.04488	10.9
85.02895	21.2
91.05469	5.4
91.71640	4.9
93.07036	5.4
93.79549	4.1
106.06548	6.1
107.07326	43.2
107.08582	5.1
108.08125	16.9
114.05515	16.7
118.06530	14.6
131.07303	12.1
132.08015	6.1
142.04999	16.6
144.99644	4.7
146.09657	17.6
166.05833	5.9
174.09128	100.0
174.10609	6.3
192.06493	6.6
192.10172	48.0
220.09688	31.6
235.49237	5.6
238.07091	8.1
238.10680	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	238.1438
Annotation	9-Angeloylretronecine
Peak:m/z	Relative Intensity
55.05507	12.8
56.96548	5.0
60.04524	1.7
68.05015	6.9
70.06580	6.7
70.95844	2.2
72.08143	11.8
72.93759	2.2
73.06538	12.6
79.05476	3.3
82.06559	1.8
84.04498	8.9
84.08129	6.1
85.05583	1.6
86.09710	2.7
91.05444	9.4
93.07036	3.3
95.04956	2.0
96.04521	1.8
101.35366	1.5
103.05463	18.6
105.07027	18.5
107.04949	7.3
108.63673	1.6
109.66022	1.8
111.98486	4.5
113.96404	2.8
114.05515	13.0
117.07030	13.0
118.06533	4.8
120.08100	100.0
122.06029	2.0
129.07025	4.2
129.10254	3.0
131.04959	5.1
136.07611	2.8
142.05008	12.6
142.07753	3.5
150.96887	5.1
151.65817	2.2
153.01106	2.1
154.98985	1.7
155.97437	8.9
157.10179	2.1
164.07057	3.9
166.08636	4.1
173.98500	6.1
174.12773	93.2
176.14220	1.9
192.06476	10.1
192.13821	65.9
197.00069	18.9
220.13321	20.1
238.07060	4.5
238.10786	4.0
238.14351	56.2
243.26822	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	239.1276
Annotation	Stachyline D
Peak:m/z	Relative Intensity
50.57118	1.1
57.07069	100.0
58.20240	1.2
64.20598	1.3
70.41683	1.2
79.05489	3.9
81.07047	2.6
82.57358	1.2
91.05478	5.0
95.04962	1.6
96.20889	1.2
105.07014	1.5
107.04964	6.1
109.06507	4.8
111.04475	1.7
113.09672	1.4
133.10107	2.6
135.04420	5.5
137.05975	11.6
147.04340	1.5
147.11708	2.6
151.03928	3.4
153.05472	3.3
161.93582	1.4
165.05519	3.7
175.11186	3.9
183.06548	2.7
193.12227	7.8
203.10658	3.0
211.91701	1.4
221.11682	18.1
239.12782	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	239.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86824	3.6
53.85381	3.7
55.55337	3.8
57.06803	5.5
57.07068	100.0
70.06596	4.4
71.28633	3.6
79.05496	4.5
89.06020	90.3
91.71798	4.7
98.04639	4.9
105.07032	6.4
107.04964	6.2
121.10163	6.9
130.08661	25.9
131.58464	4.6
133.08607	36.0
133.10022	5.3
137.05975	13.9
139.58191	4.2
177.11382	5.6
221.11716	17.1
239.05130	11.0
239.08865	72.8
239.12636	8.1
239.14859	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	239.1641
Annotation	Geranyl acetoacetate
Peak:m/z	Relative Intensity
52.32613	4.6
55.05499	26.3
57.03430	6.2
57.07057	19.2
57.81290	4.8
58.42350	6.6
60.98433	5.1
63.82372	4.5
67.05490	26.5
69.07059	100.0
71.04977	7.7
72.73078	5.4
76.94742	5.3
77.87196	5.5
79.05489	17.5
81.07053	33.9
83.04980	14.5
83.08626	6.4
85.02882	19.9
90.81325	6.0
91.05473	17.6
93.07037	32.5
94.66650	5.4
95.08598	25.3
95.91245	5.4
97.06514	19.1
105.07006	15.5
109.10157	7.4
111.11703	14.4
115.11208	5.4
119.08572	14.8
121.10146	42.7
123.08041	7.1
133.10110	8.0
139.11157	38.5
176.48174	7.3
203.14326	7.3
220.70296	6.7
221.15494	8.4
234.28397	6.5
239.08896	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	239.1641
Annotation	Geranyl acetoacetate
Peak:m/z	Relative Intensity
55.01858	10.7
55.05505	32.5
56.96551	14.7
57.03421	9.7
57.07066	61.4
61.37461	4.4
62.34625	3.7
63.60325	3.9
67.05502	44.9
68.41006	4.8
69.07059	100.0
71.04996	10.9
79.05492	24.2
81.03403	5.6
81.07046	63.5
83.04971	17.3
83.08615	13.1
85.02903	16.6
88.81399	5.0
91.05484	20.5
93.07047	37.1
95.01332	8.5
95.04964	9.8
95.08599	46.7
97.06519	17.9
97.10162	11.9
99.04438	5.9
101.02372	6.4
105.07011	22.7
107.04942	4.7
107.08573	7.8
109.06515	12.2
109.10139	19.7
111.11728	9.0
119.08582	19.5
121.10125	26.0
123.04475	7.8
123.08065	7.6
127.03923	7.6
133.10118	12.4
139.11165	36.7
140.38031	5.4
147.08063	8.2
159.11620	5.6
161.13271	15.9
175.14790	17.1
193.12218	6.4
193.15829	7.9
198.18541	15.3
203.14346	8.2
211.13470	5.7
221.15366	20.2
239.08829	44.9
239.16481	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	239.1641
Annotation	Penihydrone
Peak:m/z	Relative Intensity
55.01854	13.3
55.05507	49.1
56.96553	13.0
57.03432	20.5
57.07076	66.5
58.36153	8.0
66.68699	6.4
67.05501	73.4
69.07050	100.0
69.78278	8.6
71.04968	14.3
79.05476	40.9
81.03417	15.6
81.07043	78.1
83.04980	13.5
83.08608	17.7
85.02899	25.9
87.04462	13.5
90.54376	7.7
90.93704	8.1
91.05468	63.0
93.07046	66.4
95.01317	15.1
95.04969	34.5
95.08588	48.6
97.06557	18.5
99.04479	19.7
101.02418	9.0
102.61969	7.7
105.07047	41.3
107.08590	23.7
109.06517	21.7
111.11718	13.5
119.08598	50.7
121.10130	43.3
123.08091	11.6
127.03904	12.1
131.08479	10.0
133.06476	8.7
133.10133	33.6
137.05969	14.6
139.11197	30.0
140.28438	9.4
151.07558	12.7
161.13255	23.6
175.14851	26.4
193.15862	20.3
198.18539	25.9
203.14319	9.8
205.30350	9.5
217.49728	8.3
221.15337	46.4
239.08940	38.2
239.16405	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	239.1641
Annotation	Penihydrone
Peak:m/z	Relative Intensity
55.01856	15.4
55.05501	35.0
57.03412	7.9
57.07069	34.3
59.28700	3.9
63.58615	4.7
63.79080	4.9
67.05496	100.0
69.07061	60.3
71.04983	13.8
71.08621	14.4
73.02902	11.3
76.09171	4.2
79.05492	34.0
79.15696	4.4
81.07048	84.4
83.04978	12.9
83.08604	20.4
85.02902	27.8
87.04461	52.8
91.05464	35.6
93.07047	45.7
95.01303	12.4
95.04958	20.5
95.08604	47.6
97.06521	24.3
97.10162	6.3
99.04456	10.5
101.02371	28.6
105.07020	47.2
107.04971	4.8
107.08609	27.8
109.03936	4.9
109.06512	11.0
109.10153	27.9
111.04462	15.7
113.06003	14.4
115.03927	21.5
118.16729	4.8
119.08597	45.6
121.10148	20.3
123.04426	6.9
123.08065	18.9
123.11724	21.2
125.05977	9.9
126.92902	6.3
133.10063	24.6
135.08046	13.9
135.11716	6.8
137.05980	12.9
137.09593	13.9
139.07552	9.4
139.11214	13.1
147.08031	7.9
147.11742	6.9
151.07564	9.5
156.33481	5.3
159.11855	8.6
161.09680	7.6
161.13257	28.6
165.09114	7.1
171.57855	5.0
173.61316	5.2
175.14844	19.1
179.14227	8.2
185.13220	12.0
193.15869	12.4
198.18544	14.4
203.14345	15.3
221.15363	39.5
234.94778	5.4
236.12805	4.8
239.08871	24.0
239.16315	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	239.1641
Annotation	Penihydrone
Peak:m/z	Relative Intensity
55.01855	11.2
55.05492	28.7
56.96563	14.7
57.03431	19.1
57.07070	100.0
61.34908	7.3
67.05502	56.4
69.07059	87.9
71.04975	11.2
79.05486	24.5
79.91837	8.0
81.03421	8.5
81.07051	81.4
83.04979	20.5
83.08607	10.2
85.02881	20.8
87.04446	18.2
89.59178	7.4
91.05473	35.7
91.71681	18.5
93.07034	44.4
94.07709	7.6
95.01304	16.4
95.04970	25.0
95.08614	52.9
97.06486	10.7
99.04428	15.5
103.71130	8.0
105.07007	41.1
107.04937	10.9
107.08521	8.9
109.06538	9.1
109.10146	13.9
111.04435	19.3
119.08610	43.6
121.10155	22.4
123.04406	13.6
123.11625	8.6
130.03703	9.0
133.10094	21.4
135.11696	9.6
137.05983	16.8
138.19707	7.5
139.11214	10.8
147.08080	14.1
151.07642	9.9
153.05428	9.3
159.11800	9.4
161.13266	24.6
168.53003	8.6
175.14827	23.0
198.18565	26.2
203.14378	16.4
216.12433	10.8
221.15402	27.8
239.08890	56.2
239.16418	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	239.1641
Annotation	Geranyl acetoacetate
Peak:m/z	Relative Intensity
51.39059	7.1
55.01868	20.8
55.05500	42.1
55.70020	8.5
56.96550	22.1
57.03414	12.7
57.07074	91.8
67.05492	63.2
67.05804	8.8
69.07055	90.9
69.40173	8.5
71.04977	24.0
79.05479	34.6
81.03400	14.5
81.07042	100.0
83.04989	21.4
83.08604	16.7
84.70160	8.8
85.02897	35.9
87.04456	18.7
91.05471	48.8
91.71651	18.4
91.91827	9.9
93.07017	60.7
95.04979	32.7
95.08593	57.3
97.06512	17.4
97.10157	15.7
99.04453	15.4
101.02435	23.7
105.07024	39.8
107.08576	22.0
109.06515	27.6
109.10160	27.8
111.04514	11.4
111.11759	9.5
113.21806	9.2
119.08556	56.0
121.10144	33.6
123.04411	13.4
123.08081	11.3
123.11726	11.2
133.10132	19.0
134.40854	10.3
137.09605	15.4
139.11176	30.1
143.08472	17.2
147.11716	14.4
149.09763	11.5
161.13232	28.6
165.09149	9.8
166.94601	9.5
175.14868	31.0
184.89534	10.6
193.15889	22.2
198.18576	16.6
203.14412	14.6
218.40732	9.8
221.11635	14.1
221.15361	31.1
239.08868	90.0
239.16479	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	239.1641
Annotation	Penihydrone
Peak:m/z	Relative Intensity
50.35885	2.2
55.01862	12.9
55.05507	35.0
57.03421	10.5
57.07059	10.2
57.70708	2.5
65.03931	2.6
67.05499	41.1
67.40976	2.7
69.07060	100.0
71.04980	10.1
71.08646	2.8
73.02898	5.0
79.05482	22.5
79.31037	3.0
81.03423	5.5
81.07043	43.8
83.04961	9.6
83.08607	6.9
83.91328	3.3
85.02901	20.7
85.06544	4.0
85.25799	2.6
87.04453	13.5
87.04940	2.8
87.28213	2.6
91.05485	18.9
93.07046	35.3
95.01337	9.5
95.04971	17.9
95.08616	31.8
97.06519	17.6
97.10161	5.3
99.04473	10.8
101.02384	9.5
105.07021	24.6
107.08601	8.0
109.06522	10.0
109.10149	11.3
111.04438	10.3
111.11703	13.2
113.05959	2.9
119.08571	27.4
121.06510	3.6
121.10134	28.3
123.04436	8.8
123.08096	8.8
123.11707	4.3
131.39763	3.1
133.06502	3.8
133.10124	14.2
135.11673	4.8
137.05959	5.1
137.09639	3.2
139.07484	3.8
139.11174	37.3
139.20792	3.1
145.94904	2.8
147.08083	6.9
147.11734	5.5
151.07500	5.0
159.11693	6.5
161.13269	22.2
165.09148	3.8
175.14844	9.0
179.14355	8.4
185.13240	4.5
193.15874	6.8
203.14259	16.3
221.15324	22.3
239.16344	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	239.1641
Annotation	Penihydrone
Peak:m/z	Relative Intensity
53.03919	6.8
55.01849	11.5
55.05511	48.7
57.03423	16.1
57.07064	29.6
59.08585	5.2
67.05495	86.3
69.07056	100.0
71.04974	18.0
73.02898	9.2
75.89697	5.1
79.05502	38.2
81.03402	12.8
81.07053	77.4
83.04977	19.4
83.08614	12.8
85.02882	36.2
85.06553	8.9
85.52346	6.0
87.04446	16.9
90.74836	5.3
91.05470	49.2
93.07033	48.0
95.01327	15.8
95.04962	22.2
95.08610	48.3
97.06517	21.0
97.10159	6.9
99.04440	19.5
101.02390	16.4
105.07032	52.0
107.08596	26.1
109.06528	19.3
109.10151	18.0
111.04425	13.8
111.11685	5.8
113.02355	7.3
113.06020	10.5
117.07018	11.4
119.08587	51.1
121.10146	28.3
123.04416	16.1
123.08058	8.8
123.11728	16.7
133.06561	7.8
133.10129	31.2
137.05951	13.1
137.09637	13.5
139.07449	8.2
139.11182	24.4
147.08058	6.2
151.07559	11.6
159.11761	6.7
161.13248	39.7
162.93509	5.8
165.09111	16.1
174.31779	6.2
175.14813	31.4
179.14261	16.4
185.13301	8.0
193.15916	22.8
203.14363	27.2
212.93086	6.3
219.00616	6.1
221.15392	49.5
239.16417	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	239.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35026	3.2
55.05511	9.7
56.96560	33.2
57.07063	20.3
58.30593	3.2
67.05501	7.3
69.07059	12.9
75.56549	3.4
77.29444	4.3
81.07044	8.5
83.08599	6.4
87.52622	3.4
91.05495	9.7
93.07035	8.3
95.08607	13.0
97.99191	4.2
105.07024	17.5
107.08606	4.3
119.08582	30.8
120.53947	3.6
133.10132	13.7
142.07732	5.1
143.08611	4.4
145.10132	5.3
154.95358	4.1
155.08549	9.3
156.09479	5.7
157.10101	11.5
159.11682	8.5
164.20575	4.0
168.09319	8.8
169.10069	23.4
171.11736	6.6
182.10797	6.2
183.11678	42.4
184.12495	4.4
195.11694	5.9
197.13235	36.8
198.18570	14.7
209.13286	11.9
210.14104	8.5
211.14937	5.2
213.12010	4.3
224.15691	15.0
239.08878	11.1
239.17926	100.0
259.29514	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	239.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08006	2.3
55.05512	16.5
57.06800	5.5
57.07069	100.0
67.05496	30.9
68.91202	2.9
69.07062	15.3
71.08621	48.2
73.85802	2.7
74.65472	3.1
79.05476	2.5
81.07050	34.7
83.08607	18.8
85.10168	22.4
93.07048	5.0
95.08594	47.6
97.10153	9.0
109.10147	15.0
120.08755	2.9
123.11658	5.5
146.91299	3.1
183.98849	3.0
198.18610	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	239.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81975	3.6
55.05281	4.9
55.05507	43.6
55.36844	3.8
56.50051	4.1
57.07076	29.2
62.51873	4.5
66.60538	4.5
67.05493	74.3
69.07058	46.1
71.04985	40.2
71.08614	7.7
81.07055	100.0
82.83709	4.6
83.08609	51.2
83.31156	5.5
85.06527	14.9
95.08600	94.4
97.10162	28.3
109.10159	39.3
111.11719	10.2
123.11714	15.9
137.13409	6.1
157.07587	6.9
198.18591	10.7
208.48386	5.8
239.23643	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	239.2368
Annotation	Bombykol
Peak:m/z	Relative Intensity
50.39207	7.9
55.05497	43.1
56.96552	13.4
57.07064	69.0
59.98093	8.5
62.16213	8.2
67.05502	67.4
69.07065	61.1
71.04984	37.3
75.48520	9.2
81.07045	90.9
83.08600	66.4
85.06546	23.4
91.71101	24.1
91.71643	21.6
93.07063	11.0
95.08604	100.0
97.10164	27.1
109.10149	46.7
123.11699	24.5
148.36191	10.6
163.03577	10.2
175.98471	12.8
193.12277	11.1
198.18541	35.2
230.54970	11.0
237.49974	12.4
239.23643	25.8
243.97664	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2368
Annotation	Bombykol
Peak:m/z	Relative Intensity
50.81092	3.4
55.05505	46.8
56.93375	4.0
56.96563	4.5
57.07066	39.9
67.05489	68.9
69.07060	69.2
70.60670	4.0
71.04977	32.8
71.08584	9.9
79.05474	6.9
80.88704	4.5
81.07047	100.0
83.08617	51.0
85.02835	4.6
85.06542	10.8
91.05486	4.4
95.08594	94.2
95.09155	8.7
97.10177	32.1
109.10175	44.8
109.90245	4.6
111.11719	14.3
111.92876	4.2
119.08595	6.2
123.11720	18.0
137.13261	8.1
161.75806	5.2
192.98880	4.9
197.35878	5.5
198.18504	12.4
200.18245	5.1
218.92012	4.5
226.91376	5.3
239.08945	17.6
239.23639	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2369
Annotation	Bombykol
Peak:m/z	Relative Intensity
50.04600	4.2
52.89389	5.3
55.05502	41.2
56.96544	13.8
57.07068	57.5
63.12099	4.2
63.35008	4.9
63.99853	5.3
67.05494	77.6
69.07059	63.9
71.04980	35.0
71.08626	14.4
71.88371	5.1
79.05470	8.6
81.07046	100.0
83.08615	49.5
85.06525	11.7
85.68378	5.4
91.70972	7.8
93.07025	12.1
95.08596	87.4
97.10176	36.6
109.10143	43.0
111.11741	6.4
123.11691	12.4
131.92828	7.0
133.10078	8.8
161.72722	6.8
198.00725	7.4
198.18488	33.8
226.58154	7.3
239.08910	32.6
239.23744	22.8
246.30589	6.9
249.24971	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	240.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.6
57.07056	4.0
58.08435	2.5
61.02907	4.2
69.03423	5.4
70.06596	3.4
73.02914	4.3
73.69939	2.4
77.71062	2.5
81.03422	4.4
85.02897	8.3
85.19465	2.1
86.03677	3.2
92.83268	2.4
97.02893	4.1
109.02924	3.2
119.01970	6.2
122.10203	2.7
138.96436	4.4
142.03529	7.0
156.97467	93.2
161.97969	6.1
165.05075	4.5
170.41852	2.8
174.98526	91.8
179.00719	4.7
179.99065	94.7
180.05124	3.0
180.97350	3.6
180.99487	3.0
198.00119	47.8
198.98512	25.7
199.00221	3.6
199.04657	4.0
203.00658	89.9
204.00980	4.4
216.99536	30.5
221.01726	23.2
222.00107	100.0
232.31616	2.8
238.73444	2.4
239.02641	4.4
240.01154	61.8
244.03334	7.4
245.01707	3.5
263.02765	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16600	1.7
56.96545	5.0
65.03939	3.2
69.03416	9.7
69.07069	2.8
70.06581	3.5
78.17671	1.8
81.03417	4.6
83.83729	1.8
86.03576	4.1
86.08309	2.1
86.09705	6.3
87.04462	100.0
91.05467	2.8
92.05022	2.1
98.97562	3.4
104.27579	2.0
108.04504	2.6
110.06044	16.4
111.04436	9.3
120.08113	5.3
128.07156	2.5
134.99593	2.4
136.03944	21.3
136.11909	2.2
137.05962	15.4
140.00185	4.3
141.11928	2.2
148.07536	12.5
154.04988	51.3
176.07079	3.0
180.55377	2.4
181.08629	3.3
186.05481	2.5
194.08221	2.9
204.06534	78.0
222.07677	20.8
222.11197	3.0
224.50827	2.5
228.82588	2.1
240.08693	30.9
240.12450	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	240.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.0
57.07063	1.0
65.03921	2.7
68.81047	0.7
69.07048	0.9
72.04495	1.2
73.14249	0.6
75.20881	0.8
81.07018	0.8
91.05470	100.0
106.06548	3.4
108.08091	1.0
116.98636	1.4
120.08102	7.6
132.08101	0.9
140.00247	1.1
158.01288	1.2
165.06979	0.8
166.07809	0.8
181.02834	1.7
181.10095	8.4
199.00153	1.6
199.03780	0.9
226.42607	0.8
240.09178	0.6
240.13858	14.3
240.16125	1.4
248.72775	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.4
56.96559	18.4
59.84392	2.8
62.58123	2.8
65.48631	3.5
67.05495	8.3
69.07069	4.5
70.06599	8.7
81.03433	6.0
81.07059	3.8
83.04990	4.0
84.08146	6.0
85.02926	4.2
91.05494	4.2
93.07062	5.2
98.97593	29.7
100.27448	3.5
116.98601	25.0
120.08128	3.9
121.02921	3.8
131.08650	3.8
132.52754	4.3
134.99646	20.9
140.00206	35.2
158.01260	33.5
176.02347	4.9
181.02838	54.5
182.03285	5.5
189.75223	3.8
199.03944	6.2
200.02385	12.4
204.38049	4.9
206.77338	4.2
222.05663	4.5
223.09544	8.6
224.66182	4.1
241.04958	7.5
241.10397	100.0
241.15512	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	241.107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93026	2.5
53.03943	2.5
54.69201	1.8
55.01863	4.5
55.35550	1.8
56.96552	4.6
57.03418	5.2
57.07068	2.0
67.05502	20.6
71.04980	100.0
79.05483	8.7
81.03412	27.7
81.07034	5.4
83.04978	6.3
85.02918	4.1
91.05482	15.1
91.11330	2.5
91.45741	2.1
91.71635	4.9
93.07036	7.0
95.04964	21.7
97.02884	4.6
97.06544	6.9
98.97589	12.0
99.04450	7.4
105.07021	6.5
107.04930	3.9
109.02863	4.7
111.04374	2.9
112.63847	2.4
113.06001	31.2
115.05470	3.5
116.98601	11.8
117.07008	20.4
121.06526	7.5
123.04407	14.8
127.03912	3.2
131.08571	12.0
134.99661	6.5
135.08058	8.0
139.03902	7.1
140.00212	15.2
145.06528	5.0
149.09634	3.4
158.01248	8.3
159.07994	14.4
160.64973	2.6
163.07512	11.8
177.09070	17.3
181.02843	13.1
181.08572	28.3
187.07613	5.4
195.10207	5.8
200.02396	2.8
205.08611	12.1
223.09686	18.0
241.10617	26.3
241.15573	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93026	2.5
53.03943	2.5
54.69201	1.8
55.01863	4.5
55.35550	1.8
56.96552	4.6
57.03418	5.2
57.07068	2.0
67.05502	20.6
71.04980	100.0
79.05483	8.7
81.03412	27.7
81.07034	5.4
83.04978	6.3
85.02918	4.1
91.05482	15.1
91.11330	2.5
91.45741	2.1
91.71635	4.9
93.07036	7.0
95.04964	21.7
97.02884	4.6
97.06544	6.9
98.97589	12.0
99.04450	7.4
105.07021	6.5
107.04930	3.9
109.02863	4.7
111.04374	2.9
112.63847	2.4
113.06001	31.2
115.05470	3.5
116.98601	11.8
117.07008	20.4
121.06526	7.5
123.04407	14.8
127.03912	3.2
131.08571	12.0
134.99661	6.5
135.08058	8.0
139.03902	7.1
140.00212	15.2
145.06528	5.0
149.09634	3.4
158.01248	8.3
159.07994	14.4
160.64973	2.6
163.07512	11.8
177.09070	17.3
181.02843	13.1
181.08572	28.3
187.07613	5.4
195.10207	5.8
200.02396	2.8
205.08611	12.1
223.09686	18.0
241.10617	26.3
241.15573	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.107
Annotation	CMPF
Peak:m/z	Relative Intensity
50.93026	2.5
53.03943	2.5
54.69201	1.8
55.01863	4.5
55.35550	1.8
56.96552	4.6
57.03418	5.2
57.07068	2.0
67.05502	20.6
71.04980	100.0
79.05483	8.7
81.03412	27.7
81.07034	5.4
83.04978	6.3
85.02918	4.1
91.05482	15.1
91.11330	2.5
91.45741	2.1
91.71635	4.9
93.07036	7.0
95.04964	21.7
97.02884	4.6
97.06544	6.9
98.97589	12.0
99.04450	7.4
105.07021	6.5
107.04930	3.9
109.02863	4.7
111.04374	2.9
112.63847	2.4
113.06001	31.2
115.05470	3.5
116.98601	11.8
117.07008	20.4
121.06526	7.5
123.04407	14.8
127.03912	3.2
131.08571	12.0
134.99661	6.5
135.08058	8.0
139.03902	7.1
140.00212	15.2
145.06528	5.0
149.09634	3.4
158.01248	8.3
159.07994	14.4
160.64973	2.6
163.07512	11.8
177.09070	17.3
181.02843	13.1
181.08572	28.3
187.07613	5.4
195.10207	5.8
200.02396	2.8
205.08611	12.1
223.09686	18.0
241.10617	26.3
241.15573	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	19.6
56.96563	33.9
57.03430	64.8
57.07063	15.3
58.06593	73.4
59.06926	6.2
64.53570	6.4
67.05496	36.3
69.07047	23.1
69.97764	6.7
70.06584	10.7
71.04980	8.4
79.05482	48.1
81.03411	5.9
81.07050	44.5
83.04961	23.6
83.08589	16.6
84.08138	9.9
91.05471	23.2
93.07035	68.0
95.04947	8.4
95.08605	24.6
98.97572	57.9
103.03973	9.7
104.93791	6.4
105.07008	8.9
107.08567	18.1
109.10164	7.3
111.43058	5.9
116.98610	46.7
119.08560	10.6
121.10145	84.4
123.08024	7.4
123.11721	23.5
123.87315	6.4
125.05971	8.2
131.08574	18.1
134.99643	35.8
139.11185	16.1
140.00192	65.4
149.09612	29.2
158.01241	61.4
167.10715	9.1
181.01344	12.6
181.02826	100.0
196.09749	11.1
199.03957	9.4
200.02348	24.1
222.05667	8.2
241.04784	9.9
241.14465	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	241.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	19.6
56.96563	33.9
57.03430	64.8
57.07063	15.3
58.06593	73.4
59.06926	6.2
64.53570	6.4
67.05496	36.3
69.07047	23.1
69.97764	6.7
70.06584	10.7
71.04980	8.4
79.05482	48.1
81.03411	5.9
81.07050	44.5
83.04961	23.6
83.08589	16.6
84.08138	9.9
91.05471	23.2
93.07035	68.0
95.04947	8.4
95.08605	24.6
98.97572	57.9
103.03973	9.7
104.93791	6.4
105.07008	8.9
107.08567	18.1
109.10164	7.3
111.43058	5.9
116.98610	46.7
119.08560	10.6
121.10145	84.4
123.08024	7.4
123.11721	23.5
123.87315	6.4
125.05971	8.2
131.08574	18.1
134.99643	35.8
139.11185	16.1
140.00192	65.4
149.09612	29.2
158.01241	61.4
167.10715	9.1
181.01344	12.6
181.02826	100.0
196.09749	11.1
199.03957	9.4
200.02348	24.1
222.05667	8.2
241.04784	9.9
241.14465	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	241.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95697	0.8
53.03933	0.8
56.19640	0.7
58.06591	25.1
58.08439	0.7
70.06578	4.6
73.55476	0.8
84.08129	13.0
96.02527	0.9
98.09684	1.9
99.63086	0.9
115.36202	0.8
124.07467	1.0
128.10716	3.5
133.85562	0.9
183.20393	0.9
196.09641	3.6
204.98805	1.3
241.15437	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1547
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
50.92107	0.6
58.06594	26.5
63.03634	0.8
70.06592	5.0
74.79137	0.8
81.03391	1.9
84.07675	1.0
84.08137	16.5
98.09657	2.7
114.05539	1.0
119.98908	0.9
120.96268	1.1
128.10698	4.3
144.10139	1.2
186.20625	1.1
196.09715	6.4
201.16379	1.0
202.63853	1.0
220.26456	1.0
241.15451	100.0
248.74562	1.0
255.46356	1.1
261.80774	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03632	2.0
60.14976	1.9
64.69597	2.0
66.52597	2.3
84.91341	2.1
95.61355	2.2
96.11199	2.4
96.65370	2.5
104.17313	2.8
107.47210	2.5
110.06055	2.8
112.03730	6.7
153.05212	8.6
201.85263	2.5
224.09068	5.8
242.09967	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1537
Annotation	Acutine
Peak:m/z	Relative Intensity
57.07069	0.4
59.45915	0.3
63.50806	0.4
65.03931	1.8
74.06067	1.7
91.05468	100.0
105.07013	1.0
109.09278	0.4
112.39885	0.5
121.73152	0.4
131.52795	0.4
132.08093	1.1
134.09641	2.1
150.09138	5.6
165.06851	0.6
166.07764	0.9
176.22305	0.5
181.10112	5.2
209.09276	0.4
242.15353	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21673	2.1
58.06591	28.4
59.06921	3.5
72.08150	29.9
84.04491	43.4
84.08130	5.1
88.95256	3.1
97.07637	3.6
100.07613	8.6
120.65514	2.9
126.06651	4.6
132.30060	3.0
136.34610	3.2
165.07405	13.8
183.11285	18.2
183.12653	3.5
197.14430	3.3
199.46674	2.9
200.57759	3.1
208.10818	10.1
223.64998	3.0
225.13466	4.0
241.15417	14.8
242.15916	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	2.9
57.07056	5.2
58.06577	5.2
60.58510	1.3
61.84898	1.5
69.60997	1.3
77.99129	1.4
81.07047	1.9
83.90306	1.4
91.08644	1.5
98.97566	2.1
100.11251	20.1
104.77097	1.4
118.96752	1.7
120.91076	1.6
128.14424	1.6
130.15900	5.8
134.99626	2.5
140.00218	1.7
142.15909	47.4
170.13766	1.7
181.02879	2.3
184.20575	6.5
186.22189	13.5
200.99657	2.9
242.28404	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90662	29.3
57.72795	32.0
97.74905	32.3
103.35423	31.4
119.01951	67.2
142.03592	92.1
165.05164	75.8
187.39308	37.1
194.06676	44.9
197.03093	40.6
200.02565	55.8
219.02029	64.2
220.02637	46.7
220.04660	96.0
240.45447	40.9
242.03734	63.5
243.03853	50.8
243.06168	75.3
261.03186	100.0
263.16452	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14273	7.2
53.03921	10.8
55.01862	9.8
55.05490	12.4
56.96542	15.8
57.03420	21.6
57.07079	7.6
58.06574	8.9
61.02909	10.1
65.03935	10.5
67.05490	20.3
69.03413	53.8
69.07085	11.4
70.06586	35.7
72.08147	15.2
79.05491	13.5
81.03403	69.0
81.04530	24.4
81.07034	22.5
83.04977	29.3
84.04491	29.3
84.08130	11.8
84.14073	9.7
85.02895	41.4
86.09704	24.7
91.05478	16.0
95.04975	66.9
97.02855	22.3
97.06542	15.0
98.97659	9.6
99.04464	20.8
103.03947	16.5
111.04446	42.1
115.03925	11.9
116.07024	13.3
119.08617	16.4
121.06494	43.8
123.04452	14.9
125.42960	9.0
129.05452	10.3
137.05951	33.9
141.05452	11.6
149.05971	100.0
153.05435	14.0
167.07048	20.5
171.06544	21.5
179.07100	13.9
197.16508	17.5
243.08482	16.7
243.13461	23.8
243.16995	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	243.0652
Annotation	Moracin M
Peak:m/z	Relative Intensity
54.27837	1.9
55.01869	3.2
56.96546	3.8
65.03919	6.5
66.03558	2.3
67.05489	2.9
68.08360	1.9
68.99780	4.5
69.03410	2.4
69.07030	2.8
71.01332	2.8
74.60591	2.5
77.40749	2.3
79.05466	3.5
79.94290	2.1
81.03413	5.3
81.07028	3.8
83.04967	3.4
85.02844	2.4
91.05482	7.2
93.07031	5.8
94.79426	2.3
95.04973	3.4
95.08593	6.6
99.86637	2.2
105.07007	4.6
107.04948	7.9
107.08586	7.5
109.06544	2.5
109.10152	6.0
111.04465	5.7
113.06043	2.2
119.08598	7.5
121.02840	24.0
121.10153	9.0
121.87701	2.7
139.12733	2.5
140.72491	2.3
141.06964	5.6
145.06520	3.6
147.04482	2.5
147.08064	6.2
147.11659	2.2
149.02327	100.0
149.09593	12.6
169.06488	7.2
171.11681	3.9
189.12735	3.9
197.05995	10.5
206.95082	3.0
207.13879	7.5
215.07011	86.8
215.97745	2.8
243.06467	56.7
243.15947	3.5
264.17633	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	243.1015
Annotation	Fenoprofen
Peak:m/z	Relative Intensity
55.05513	2.9
69.03424	17.0
70.04607	2.5
73.24290	2.6
74.78600	2.2
81.03429	3.4
81.62975	2.6
89.22427	2.6
91.05492	6.7
92.03844	2.6
105.07031	7.2
110.08292	2.9
115.05447	3.0
116.82867	2.9
117.07031	4.1
119.08596	3.4
128.06238	12.8
129.07002	13.3
141.07010	26.6
142.07787	4.5
143.08549	10.4
145.06490	5.5
152.06210	3.5
153.05838	4.2
153.06960	18.7
154.07765	37.6
155.08607	5.7
156.09319	5.5
157.65778	2.7
159.08084	4.7
159.11690	6.3
160.08850	4.2
165.06941	17.1
166.07744	9.5
167.08548	4.3
169.06442	3.4
169.10114	51.8
171.11655	3.8
179.08559	19.0
181.06432	7.0
181.10126	8.7
182.07277	27.2
183.08067	5.7
184.08791	3.5
187.11241	7.7
197.09613	100.0
199.11249	7.2
207.08104	4.1
215.10652	19.7
225.09155	21.6
239.97762	3.5
240.85513	2.9
243.10127	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	2.2
54.35390	2.1
57.07085	2.4
60.05640	29.7
63.17633	2.2
69.07052	34.2
70.06583	100.0
71.04967	4.2
72.08157	5.7
80.63296	2.7
81.03417	3.8
86.09724	3.7
87.04472	2.8
88.34602	2.8
91.71100	3.8
97.02856	3.1
102.30808	2.5
103.03999	4.1
111.04440	3.9
112.08711	5.3
115.08702	5.4
116.07070	32.7
128.11868	5.4
130.09763	10.2
138.74060	3.0
146.19908	3.4
157.62186	2.9
158.09274	12.7
161.59000	3.2
175.11902	12.1
193.69424	3.1
198.16016	7.5
210.04272	2.7
217.18044	3.9
237.75810	3.1
243.10445	2.7
243.18134	80.4
247.64217	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	244.058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.8
57.39152	0.4
60.08149	1.0
63.38005	0.4
67.93270	0.4
69.03409	0.8
69.04524	1.2
70.06585	7.6
72.08146	0.6
82.31671	0.4
84.04465	0.8
84.08143	3.1
95.02441	3.2
104.10686	0.6
112.05083	100.0
112.50964	0.4
126.02469	1.5
126.30776	0.6
133.06093	0.6
141.04767	3.7
148.62070	0.5
200.12082	0.8
244.11856	0.6
244.16486	0.6
256.36639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0927
Annotation	Cytidine
Peak:m/z	Relative Intensity
53.08412	0.3
57.03421	0.5
60.08144	0.4
60.21052	0.3
69.03406	0.3
69.04552	1.8
70.06584	15.6
71.88078	0.3
72.08084	0.3
72.64553	0.3
81.03394	0.5
84.04503	1.0
84.08127	1.0
84.64423	0.3
94.04012	0.4
95.02454	3.3
98.06064	0.3
110.14996	0.4
112.05082	100.0
116.07087	0.4
122.58485	0.3
125.32472	0.3
126.02467	0.6
141.04808	1.2
178.50948	0.3
191.60738	0.3
200.12267	0.6
227.10181	0.4
244.11722	0.9
244.16405	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1908
Annotation	N-Undecanoylglycine
Peak:m/z	Relative Intensity
55.01858	2.8
55.05299	1.4
55.05507	16.6
57.07061	9.0
67.05496	10.4
69.07066	14.8
71.08624	5.5
71.83775	1.5
72.08149	1.6
79.05482	6.7
81.07049	20.4
82.06538	2.6
83.05001	2.3
83.08604	23.2
85.06529	2.0
86.06071	3.3
89.92457	1.5
93.07029	11.0
95.08601	17.9
97.06525	5.6
97.10188	12.7
100.07607	4.9
105.07068	2.1
107.08585	12.8
109.10136	3.1
110.09703	2.7
111.08096	4.2
114.09151	3.0
121.10134	10.6
124.11233	3.9
125.09576	2.3
131.08629	2.1
138.12737	1.9
163.14789	14.4
173.13306	4.4
180.17447	21.4
181.15898	4.1
190.15898	2.5
198.18518	3.0
208.16891	2.7
226.18007	100.0
227.16519	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15377	1.4
54.80151	1.2
57.07068	22.5
58.06570	4.7
62.05836	1.2
62.06075	14.3
69.17361	1.3
71.08616	10.2
71.79842	1.4
72.01110	1.5
85.10149	4.0
122.30511	1.8
123.11145	1.7
213.02310	2.1
226.25302	3.7
244.26331	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	5.0
57.07072	31.0
58.06590	8.5
62.06070	25.9
67.05489	4.2
71.08631	12.7
76.07660	4.5
80.04998	3.4
81.03452	3.3
81.07069	3.5
82.14674	2.9
85.10175	4.2
96.71764	2.8
105.43251	3.3
110.44431	3.0
112.05062	4.7
113.03455	8.0
142.03230	12.5
148.68761	4.5
170.02686	6.2
192.82088	3.5
241.78040	3.9
244.26335	100.0
244.28717	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88497	1.8
53.08072	1.9
53.42143	2.1
53.86471	1.8
57.03432	4.8
59.94809	2.2
61.01127	4.5
63.99844	5.7
65.97228	1.9
69.03393	2.9
70.06541	2.7
72.08125	3.3
73.02908	3.0
79.02181	100.0
81.03411	4.5
85.02895	3.2
97.02883	3.1
101.00884	4.8
109.02877	2.9
109.76592	2.3
119.01933	17.3
124.02506	4.6
127.03911	3.0
131.01921	4.2
133.03441	2.2
135.58853	2.3
142.03502	11.0
142.17728	2.4
143.01881	7.5
145.03506	2.5
155.01984	2.5
157.03471	9.9
161.02917	16.8
165.05081	9.8
173.02875	3.2
175.04495	2.9
178.03603	2.7
180.05066	3.4
184.04556	21.2
185.02968	10.9
196.04562	10.7
198.06172	6.9
200.92543	2.7
203.04005	5.9
208.04533	3.5
220.04539	3.0
226.05623	12.2
238.05563	3.9
245.05023	5.0
265.00037	2.6
268.13910	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	245.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10598	4.2
57.61527	4.9
69.03400	8.0
82.83517	5.7
97.02869	7.4
100.02484	5.7
101.00863	24.7
101.01504	5.1
113.03477	18.7
115.02419	6.9
119.01914	88.7
120.01983	12.8
122.76401	7.1
124.02470	13.1
131.01888	12.8
137.02962	15.3
138.03084	6.6
142.03467	73.7
143.01897	23.8
143.03622	17.9
145.03453	14.5
154.03552	7.6
157.03470	20.0
160.04558	7.7
161.02928	50.3
165.05113	60.2
166.05225	12.3
167.68555	5.6
168.04974	7.8
169.03442	8.0
173.02953	8.3
175.04419	8.0
180.05057	16.0
182.60606	6.1
183.06296	6.0
184.04561	100.0
185.02953	23.5
185.04613	12.5
189.97722	6.4
196.04527	10.6
197.03011	6.2
198.06097	20.8
199.04503	7.1
203.03983	14.8
208.04536	19.9
210.06123	17.9
214.05435	8.1
217.05621	8.3
222.06190	6.7
226.05484	26.7
227.03986	10.0
231.06155	15.2
238.05544	9.5
245.04996	48.2
249.07289	8.5
250.05540	11.1
263.02982	9.9
268.06744	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	245.1132
Annotation	CHEBI:73508
Peak:m/z	Relative Intensity
55.01875	1.2
56.05035	3.3
57.03438	3.4
58.06592	2.2
60.04529	0.9
60.05471	0.9
66.48647	0.9
68.05026	1.5
69.03423	2.5
69.07059	1.3
70.02941	8.6
70.06583	17.4
71.04996	1.4
71.74654	1.3
72.08141	3.0
74.02428	10.9
80.21296	1.1
82.06589	3.6
84.04494	100.0
84.08154	4.9
85.02912	4.1
86.09699	6.3
88.07621	10.4
95.02467	1.2
96.00857	4.1
96.08154	1.9
96.25711	1.1
97.02898	1.5
98.06060	2.8
99.04442	1.4
101.06039	1.4
102.05566	2.8
111.04448	1.8
112.05096	2.0
113.03481	83.8
115.03976	1.7
116.07083	54.5
124.07587	6.1
128.07091	6.6
129.10191	2.3
130.04996	49.2
132.06624	3.3
136.07591	2.3
154.08617	3.1
182.08139	17.3
199.10684	1.6
204.04416	1.3
227.10318	3.7
228.08702	4.4
238.60698	1.3
245.11308	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	245.1172
Annotation	5-Hydroxybisphenol A
Peak:m/z	Relative Intensity
55.01851	5.9
55.05479	4.0
55.56730	5.0
57.07062	19.1
61.38647	4.7
67.05493	12.7
69.03404	5.7
70.92581	3.8
74.23335	4.0
79.05466	14.7
81.03403	41.9
81.07047	21.5
83.04981	9.5
85.06553	6.1
91.05464	34.3
93.07056	12.2
95.04965	60.3
95.59653	5.3
105.07025	28.4
107.08591	59.6
109.06489	11.8
111.04427	7.9
115.05449	9.6
117.07014	11.0
119.08575	7.5
121.06503	35.5
128.06235	11.8
129.06996	25.8
131.08568	10.6
132.05847	4.6
133.06503	11.6
133.10097	8.7
135.08055	100.0
137.02319	8.0
137.05971	18.0
141.07021	6.5
142.03278	9.3
142.07822	6.1
143.08582	14.5
147.08076	15.2
156.09360	7.1
157.06564	5.9
157.10149	14.3
159.08046	9.9
161.05952	25.3
163.07515	44.0
166.07727	6.2
167.08559	9.7
171.11713	9.9
185.06013	23.0
185.09648	19.0
199.11168	27.1
203.07082	23.4
203.10664	30.4
203.14351	13.3
213.95998	5.3
227.10669	9.4
245.11722	82.1
245.15363	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	245.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88757	2.2
54.14795	2.2
55.01867	15.9
56.96547	3.7
57.07026	2.6
66.15903	2.3
67.05485	4.5
69.03419	2.9
79.05492	6.8
81.03407	24.7
81.07048	4.4
83.04974	3.0
91.05466	19.8
93.03341	2.9
95.04974	6.4
97.02895	4.6
99.77115	3.2
103.05424	4.1
105.07024	77.1
107.08537	3.3
113.03500	3.4
115.05499	3.9
117.07034	9.5
119.08587	13.7
121.81841	2.2
126.99398	2.5
128.06235	3.7
129.07016	23.6
131.08563	12.7
133.06487	100.0
135.08038	4.5
137.05998	3.2
141.07053	4.9
142.03224	2.8
142.07733	3.6
143.08540	7.6
145.06474	8.5
146.07240	10.9
147.08043	38.7
148.08907	3.0
150.70461	3.1
156.09366	6.6
157.10146	4.6
159.08078	6.4
161.06027	4.1
165.07047	3.7
166.07745	6.2
169.06689	2.9
171.08090	3.2
171.11682	4.0
174.25954	2.6
181.10097	6.6
199.11096	16.1
213.15605	3.3
227.10707	8.8
245.11620	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	245.1171
Annotation	Cannabispirenone B
Peak:m/z	Relative Intensity
51.30359	0.4
53.10598	0.4
57.07061	0.7
60.57357	0.4
62.21037	0.4
71.49624	0.5
79.05486	2.8
80.34428	0.5
83.04961	1.1
85.09123	0.4
89.06319	0.5
91.05450	0.9
93.07001	0.8
95.04939	1.5
101.28516	0.5
103.05466	1.2
105.07009	5.4
107.04912	1.1
109.06542	0.5
115.05447	0.8
128.06203	0.6
128.14052	0.6
129.07004	0.6
131.08504	0.6
133.06483	2.4
145.06532	0.7
159.08034	0.7
161.05962	100.0
163.03857	0.6
185.05888	0.9
189.05460	1.0
199.11192	1.9
203.06911	0.7
217.12341	0.6
227.10635	0.9
245.11726	5.1
245.15393	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.7
54.84394	4.7
55.01865	27.2
55.05512	6.0
56.96550	11.8
57.07059	10.5
69.03418	8.5
79.05485	22.0
80.06255	5.9
81.03400	45.5
81.07050	7.2
83.04978	12.2
88.20752	4.9
91.05473	38.5
93.07034	6.7
95.04984	11.7
97.02866	13.0
101.03497	4.9
103.05452	8.5
105.07021	81.7
107.04921	6.7
107.08618	7.0
113.03496	8.1
115.05464	12.3
116.82001	7.4
117.07044	16.0
119.08617	30.3
128.06248	12.1
129.07010	41.0
131.08580	21.7
133.06474	100.0
142.03169	8.1
142.07733	8.7
143.08524	15.9
145.06525	13.6
146.07243	25.2
147.08037	87.3
148.08823	12.8
156.09372	10.7
159.08066	9.3
161.06157	7.2
165.06973	10.7
166.07794	6.3
171.11711	12.6
181.10139	13.2
199.11201	27.6
217.12300	24.4
227.10779	13.4
245.11639	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	245.117
Annotation	[3aR-(3aalpha,4aalpha,7aalpha,9abeta)]-Octahydro-3,5,8-tris(methylene)-azuleno[6,5-b]furan-2,6(3H,4H)-dione
Peak:m/z	Relative Intensity
53.03945	6.7
54.84394	4.7
55.01865	27.2
55.05512	6.0
56.96550	11.8
57.07059	10.5
69.03418	8.5
79.05485	22.0
80.06255	5.9
81.03400	45.5
81.07050	7.2
83.04978	12.2
88.20752	4.9
91.05473	38.5
93.07034	6.7
95.04984	11.7
97.02866	13.0
101.03497	4.9
103.05452	8.5
105.07021	81.7
107.04921	6.7
107.08618	7.0
113.03496	8.1
115.05464	12.3
116.82001	7.4
117.07044	16.0
119.08617	30.3
128.06248	12.1
129.07010	41.0
131.08580	21.7
133.06474	100.0
142.03169	8.1
142.07733	8.7
143.08524	15.9
145.06525	13.6
146.07243	25.2
147.08037	87.3
148.08823	12.8
156.09372	10.7
159.08066	9.3
161.06157	7.2
165.06973	10.7
166.07794	6.3
171.11711	12.6
181.10139	13.2
199.11201	27.6
217.12300	24.4
227.10779	13.4
245.11639	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	245.1172
Annotation	Virginolide
Peak:m/z	Relative Intensity
50.88757	2.2
54.14795	2.2
55.01867	15.9
56.96547	3.7
57.07026	2.6
66.15903	2.3
67.05485	4.5
69.03419	2.9
79.05492	6.8
81.03407	24.7
81.07048	4.4
83.04974	3.0
91.05466	19.8
93.03341	2.9
95.04974	6.4
97.02895	4.6
99.77115	3.2
103.05424	4.1
105.07024	77.1
107.08537	3.3
113.03500	3.4
115.05499	3.9
117.07034	9.5
119.08587	13.7
121.81841	2.2
126.99398	2.5
128.06235	3.7
129.07016	23.6
131.08563	12.7
133.06487	100.0
135.08038	4.5
137.05998	3.2
141.07053	4.9
142.03224	2.8
142.07733	3.6
143.08540	7.6
145.06474	8.5
146.07240	10.9
147.08043	38.7
148.08907	3.0
150.70461	3.1
156.09366	6.6
157.10146	4.6
159.08078	6.4
161.06027	4.1
165.07047	3.7
166.07745	6.2
169.06689	2.9
171.08090	3.2
171.11682	4.0
174.25954	2.6
181.10097	6.6
199.11096	16.1
213.15605	3.3
227.10707	8.8
245.11620	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	245.1172
Annotation	5-Hydroxybisphenol A
Peak:m/z	Relative Intensity
55.01869	6.1
65.32545	3.6
67.05485	9.1
69.03413	11.3
70.05908	3.9
75.47294	4.1
79.05479	7.7
81.03394	5.1
81.07027	7.5
83.04955	14.3
91.05481	11.5
93.07071	5.8
95.04934	8.1
105.07027	22.4
109.06566	4.2
113.03455	20.5
117.07018	5.1
119.08572	5.6
121.06493	6.6
128.06206	9.7
129.06999	6.3
133.06500	16.0
133.10156	5.3
135.08055	12.0
141.06923	6.0
142.03227	25.0
142.07809	7.1
143.08578	14.6
147.08034	7.4
147.11668	4.4
156.09360	25.5
157.06491	5.4
159.08086	7.0
159.11703	5.4
161.05911	11.4
166.07797	5.4
169.06543	5.5
170.02727	7.1
171.11646	22.3
175.07544	6.7
175.11200	12.2
181.10156	5.3
184.08800	14.9
187.11185	6.9
188.08359	4.6
189.05380	7.8
189.12810	14.4
198.09007	5.4
199.11165	32.9
203.10783	9.2
209.29184	4.7
212.08339	15.8
217.12268	18.3
227.10664	57.7
245.11693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1173
Annotation	Lumiyomogin
Peak:m/z	Relative Intensity
52.98922	8.1
56.15459	7.9
56.96553	10.1
57.07057	16.8
67.05474	13.4
69.03426	17.3
69.80108	8.2
72.26728	7.9
74.29934	8.4
79.05470	14.1
79.47184	8.1
80.05009	15.2
81.07053	11.6
83.04972	14.1
86.09689	39.0
91.05482	18.3
97.02882	12.2
102.04163	8.5
105.07029	19.2
107.08580	17.7
110.70103	8.1
111.04424	10.5
112.45287	11.8
113.03509	50.5
114.03774	10.4
115.05437	13.3
119.08609	21.0
121.06496	15.7
126.16162	8.7
128.06250	17.4
129.07025	29.6
131.08582	14.7
135.08081	13.5
141.06987	25.7
142.03220	59.1
142.07808	18.2
143.08548	32.2
147.08058	33.1
156.09322	63.8
159.08028	26.5
166.07793	17.2
170.02783	11.4
171.08057	11.2
171.11621	51.4
173.09619	28.8
173.13235	10.0
174.10382	13.6
175.11227	31.5
181.10159	10.3
183.08160	11.2
184.08867	22.5
186.10388	10.8
187.07500	11.0
188.13867	12.5
189.12714	51.8
193.90663	9.2
199.11143	94.3
202.09839	70.4
203.10664	12.9
217.12225	90.0
227.10689	100.0
245.11707	80.8
245.17310	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1748
Annotation	Sarmentoic acid
Peak:m/z	Relative Intensity
53.26936	2.1
55.05494	10.8
56.96564	5.4
57.03422	6.5
57.07067	3.2
66.19175	2.3
67.05517	5.6
69.03440	5.5
69.07059	98.9
71.01346	4.7
71.04990	4.5
79.05486	4.0
80.05024	3.7
81.07053	10.9
83.04968	9.9
83.08609	6.2
85.02870	2.9
85.06510	6.7
86.09696	100.0
89.09993	2.3
91.05470	8.2
93.07032	14.8
95.08607	11.5
96.15845	2.7
97.06527	8.1
98.97546	4.2
99.04495	2.6
99.08072	9.8
105.07014	6.2
107.08584	24.0
109.06477	3.7
109.10147	11.1
111.08079	6.9
113.03487	7.2
113.09625	25.0
119.08570	6.4
121.06543	3.5
121.10125	29.1
123.11713	8.6
125.09666	7.5
127.11199	5.1
131.08548	4.2
133.10095	18.9
135.08043	3.4
135.11678	14.5
137.09621	6.0
137.13249	3.8
139.11121	3.7
142.03247	11.9
147.04399	17.7
148.04819	3.0
149.09605	6.0
151.11166	8.4
153.09055	4.0
156.09349	5.2
158.10979	2.8
163.14835	16.6
165.12788	2.9
171.11714	7.6
173.13246	12.9
181.15811	6.0
191.14252	23.5
199.11069	4.5
209.15329	47.9
219.78835	2.7
227.16428	6.5
245.17485	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	3.1
55.01851	3.1
55.05510	25.2
56.29110	3.0
56.96545	15.4
57.03422	13.1
57.07063	8.0
60.04525	4.0
67.05507	16.8
69.03409	8.6
69.07063	100.0
70.02931	4.9
70.06590	15.9
71.01336	4.6
71.04980	10.4
72.08134	15.2
79.05491	8.2
80.04999	15.3
81.07041	23.7
83.04965	15.4
83.08611	10.4
84.04501	8.4
84.08136	24.9
85.02901	6.9
85.06544	16.7
86.09696	65.8
87.04421	4.0
91.05474	9.6
93.07024	25.1
95.04937	6.7
95.08600	21.6
97.06514	11.1
97.10159	8.3
99.04419	3.7
99.08073	14.1
101.06027	19.9
105.07022	10.2
107.08601	39.2
109.06477	4.9
109.10133	18.9
111.04455	6.0
111.08082	9.9
113.03487	35.3
113.09630	22.6
114.03751	9.9
115.06892	2.8
117.07087	3.2
119.08595	14.0
120.08113	7.4
121.06469	3.9
121.10136	39.4
123.08048	5.5
123.11700	17.1
125.09634	13.0
127.03949	3.8
127.11203	5.3
129.05438	3.7
129.10246	19.4
131.08571	9.2
133.10106	25.3
135.08040	7.2
135.11696	21.2
137.05983	8.4
137.09630	9.8
139.11124	3.8
142.03214	43.6
145.10136	3.4
147.11644	4.8
149.09605	25.1
149.13275	6.3
151.11166	13.8
153.09119	5.4
163.14816	23.8
170.01363	4.6
170.02773	10.3
173.13242	14.5
181.15900	5.3
191.14313	27.8
209.15344	62.1
215.88730	4.2
227.16446	12.8
245.12943	6.1
245.17468	14.6
265.45856	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	245.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.2
57.05808	1.5
57.07082	0.8
61.45457	0.8
63.64582	0.7
67.05486	1.1
69.07072	1.0
72.08148	100.0
72.54276	0.7
80.04983	1.0
81.03416	0.9
81.07063	0.8
86.09700	41.0
95.08575	0.8
105.07040	1.2
107.08637	1.1
109.56562	0.8
113.03516	4.1
129.14528	0.8
142.03209	4.0
145.85126	0.8
146.11749	34.5
149.06190	0.8
150.79071	0.7
151.02290	0.8
158.33064	0.8
171.04854	0.8
185.16573	1.5
221.52608	0.9
245.06094	0.9
245.11530	1.2
245.18550	5.2
250.19212	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97915	1.0
55.05502	1.5
56.82588	0.8
56.96550	1.8
57.07064	1.1
61.89191	0.9
67.05470	1.0
67.47014	0.9
69.03422	2.1
69.07059	9.0
70.06576	1.8
71.04985	1.1
72.08128	1.0
80.05000	1.3
81.07043	1.4
83.04961	1.4
84.08105	1.5
85.06525	0.9
86.09700	100.0
91.05475	1.2
93.07021	1.5
97.10209	1.2
98.97575	1.3
99.08118	1.3
105.06983	1.0
107.08584	2.0
113.03468	6.5
113.09634	2.8
114.03750	1.4
121.10155	1.7
121.65402	0.9
132.10225	3.3
133.10114	1.5
142.03215	6.5
156.07910	1.1
156.93227	1.0
163.14816	2.2
170.02666	1.7
171.11737	1.2
173.13264	1.7
189.05446	1.0
191.14354	2.6
199.17969	1.7
209.15392	3.6
245.18671	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	245.1858
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
52.43373	0.6
52.99933	0.6
55.05486	0.9
56.96558	1.3
57.07088	0.7
62.27615	0.7
64.66779	0.6
65.66930	0.6
69.03888	0.6
69.07056	11.9
71.44478	0.6
83.04964	2.7
86.09696	100.0
91.71667	0.9
97.02901	1.1
97.03864	0.7
113.03490	1.7
132.10178	1.7
138.36717	1.0
142.03195	1.8
164.62714	0.8
165.47473	0.7
170.02707	1.0
177.22281	0.7
191.82965	0.8
245.18668	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	245.1859
Annotation	Ile Ile
Peak:m/z	Relative Intensity
60.75212	0.9
62.81805	0.8
67.55664	0.9
68.77026	0.9
69.07051	0.9
74.16644	0.9
80.05057	1.3
81.89552	0.9
86.09698	100.0
91.90025	1.0
113.03515	2.5
127.94509	1.1
128.03064	1.0
132.10258	4.0
139.95375	1.0
142.03247	2.3
199.18188	1.3
245.18500	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	245.186
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
55.01862	1.1
55.05503	0.8
56.84079	0.6
56.96547	2.1
57.03433	1.7
60.04480	0.7
69.03418	1.3
69.07061	13.8
70.06589	3.5
72.08146	2.1
73.02917	1.0
79.05508	1.2
80.05017	3.0
81.03415	0.9
81.07056	1.2
82.92463	1.0
83.04975	2.7
84.08139	2.3
85.02887	1.8
86.09702	100.0
87.10030	1.0
91.05468	1.1
91.71645	1.1
95.04979	1.2
98.06075	1.1
103.05491	1.0
105.06988	1.5
107.04950	2.6
111.04453	1.2
113.03497	9.8
114.03768	1.7
115.04007	0.9
119.62557	0.7
120.08132	1.1
121.56560	1.0
129.10320	1.1
131.04944	1.4
132.10216	2.8
133.06482	1.3
137.01202	0.8
142.03250	9.3
145.06488	0.9
157.06503	1.2
161.05951	1.8
170.02730	3.0
185.09619	2.8
190.50381	0.9
199.11081	1.4
199.18031	1.0
245.18596	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	246.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02192	6.1
51.54318	7.1
55.01876	6.2
55.05489	18.3
55.50932	8.1
56.05022	14.7
56.60867	6.3
56.96553	66.1
57.03426	24.0
58.39692	9.3
58.78422	7.1
60.04491	7.6
64.60301	8.0
69.03423	35.5
69.07054	29.2
70.06575	14.9
71.08627	55.4
72.04546	11.4
72.08147	24.7
76.55033	7.4
81.03407	18.4
82.06550	10.3
84.04492	38.1
84.08128	79.2
85.02911	21.7
86.03668	9.3
86.09711	16.0
91.05453	11.0
92.26921	7.7
93.07064	22.0
94.02914	9.4
95.08621	8.5
96.04490	37.7
98.06042	8.4
98.09682	13.9
98.97546	11.6
99.04469	13.0
110.02393	19.2
110.06061	15.8
111.08086	9.7
112.03988	15.2
114.05549	16.9
126.05592	10.6
128.03450	29.4
128.07083	10.1
129.10255	14.0
138.12859	11.7
139.07549	25.5
139.21791	8.8
140.00188	9.0
140.03459	62.2
157.00453	8.4
158.04514	39.9
180.10133	22.8
184.06432	11.0
184.13336	36.3
197.96504	9.3
210.11272	17.8
218.74101	9.8
228.12305	100.0
246.07481	34.2
246.13394	54.4
246.18187	9.3
248.63750	10.2
261.18066	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	246.1853
Annotation	Dezocine
Peak:m/z	Relative Intensity
50.38663	2.3
53.78313	1.9
56.96531	2.2
60.04499	1.9
61.38321	2.2
68.37035	2.3
69.35941	2.0
80.68024	1.9
91.05474	8.1
91.71022	2.6
102.69321	2.4
117.07014	61.3
119.08598	4.8
129.06966	13.0
130.07808	5.4
131.08560	54.1
141.91986	2.2
142.55716	2.5
145.10115	25.2
157.10129	5.3
159.11684	100.0
173.13235	5.3
201.16356	24.9
229.15770	3.8
246.18535	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	246.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.2
56.96550	8.8
57.07062	7.0
60.68469	1.6
69.07059	2.9
70.06578	8.4
71.08612	3.6
72.08148	2.3
75.66083	1.9
81.07043	2.4
83.08636	2.2
88.07626	10.9
88.08412	1.9
95.08537	2.0
98.56432	2.0
100.92923	1.7
102.09192	3.7
106.08669	4.7
113.74319	1.8
118.06518	17.4
118.67329	1.8
128.75638	2.0
132.08044	4.9
133.08856	2.4
143.03528	2.4
146.09674	6.2
176.14339	85.9
228.23225	4.0
246.22156	100.0
246.24347	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94502	1.0
57.07072	9.5
59.98005	1.1
68.57504	1.0
70.06581	20.2
71.08610	3.1
82.52023	1.2
88.07111	2.1
88.07623	26.3
102.09158	6.3
102.34776	1.3
106.08651	13.5
128.42410	1.3
134.58263	1.6
228.23169	8.5
246.24251	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25776	30.9
52.20462	24.5
70.06563	29.5
72.08147	71.4
73.08446	28.9
80.40648	30.8
84.04507	100.0
84.08152	31.4
85.02875	32.2
86.09715	46.2
100.07594	58.0
104.10745	36.9
119.01869	27.7
242.73888	39.2
247.02115	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1287
Annotation	H-Leu-Asp-OH
Peak:m/z	Relative Intensity
51.94897	0.8
55.05492	2.9
56.05014	2.8
56.96542	1.4
69.07043	6.6
70.06583	3.0
70.95866	0.8
72.08143	30.3
72.08533	2.0
72.33891	1.0
74.13873	0.8
78.11188	0.8
83.04966	1.0
84.04495	31.3
84.08150	2.7
84.51901	0.9
86.09695	100.0
90.03754	5.2
92.14491	0.9
98.06039	0.9
102.00745	0.9
102.05545	2.1
102.97369	0.9
108.37637	0.9
110.05991	0.9
113.70839	0.9
118.03234	4.9
118.08652	11.8
130.05003	5.7
130.12291	1.0
173.49158	1.0
183.11232	4.6
184.09679	2.2
196.49213	1.0
229.11844	4.1
230.04874	1.1
230.10248	1.5
230.15784	1.1
247.07683	3.3
247.10664	1.5
247.12790	6.7
247.16496	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	247.1328
Annotation	Loxoprofen
Peak:m/z	Relative Intensity
54.21524	3.3
55.01846	3.8
55.05495	13.2
63.01457	3.0
67.05498	15.1
69.03433	5.6
69.07042	7.8
78.60413	3.4
79.05489	22.6
81.03413	14.3
81.07044	11.4
83.04651	2.8
83.04974	29.6
91.05471	35.7
93.07034	22.9
95.04961	17.0
95.08598	10.9
97.02874	8.5
97.06501	8.5
103.05448	6.6
105.07013	32.6
107.04916	13.6
107.08577	15.0
108.35156	3.7
109.06527	11.5
115.05452	12.0
116.06232	6.2
117.07030	32.1
119.08567	9.5
121.06483	19.3
123.08038	10.5
123.85591	4.0
125.05931	4.3
128.06284	5.0
129.06998	7.7
130.07774	4.4
131.04927	10.9
131.08548	28.6
133.06468	19.6
135.04477	8.2
135.08058	17.2
141.06946	4.3
142.07838	4.2
144.09264	4.7
145.06474	44.7
145.10146	10.4
147.07956	8.4
149.06000	6.0
149.09612	6.3
151.07559	4.5
155.08571	7.5
159.08034	12.8
159.11586	4.9
163.07562	7.9
168.09322	5.0
171.07983	5.0
173.05988	7.9
173.09630	7.9
173.13219	4.4
177.09082	5.3
179.99170	3.7
186.10376	4.4
191.07079	7.0
193.09978	5.4
201.12714	64.9
205.08601	7.7
225.94183	3.7
226.01482	3.9
229.12267	17.6
247.13240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1327
Annotation	Lumisantonin
Peak:m/z	Relative Intensity
50.29200	8.6
52.04092	10.9
56.96564	10.8
57.07058	37.5
64.86263	10.4
67.05495	68.6
69.07042	19.9
79.05467	14.5
81.03424	12.1
81.07044	39.8
83.04977	24.1
85.06486	14.8
91.05465	40.8
93.07024	21.5
95.04971	19.4
95.08605	38.8
97.02894	17.2
104.71510	11.2
104.99237	24.2
105.07031	38.1
107.08588	15.6
109.06559	10.9
109.10160	100.0
117.07028	29.9
119.08583	23.1
131.08588	39.7
132.97864	10.9
135.08038	21.6
144.02318	12.5
145.06474	53.0
145.10135	26.6
159.08093	15.2
159.11790	13.8
163.07632	20.1
171.58530	11.8
183.11800	13.6
187.14841	34.8
201.12743	21.0
205.94673	15.0
219.13792	29.2
229.12201	53.1
241.15512	14.5
247.13280	94.2
247.16876	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	247.1327
Annotation	7-Hydroxy-10-oxodehydrodihydrobotrydial
Peak:m/z	Relative Intensity
55.05499	2.1
57.07069	32.2
59.04977	6.5
64.88297	1.7
67.05491	8.3
68.78915	2.2
69.07053	4.2
74.85841	1.8
79.05481	3.4
81.07050	6.7
83.04989	4.0
85.06522	7.7
91.05486	9.4
91.70972	4.5
93.07037	7.4
94.77404	2.1
95.04955	5.7
95.08588	11.9
97.02880	3.8
99.73759	2.2
103.66925	2.0
105.07034	3.1
107.04903	2.3
109.06519	3.0
111.48630	2.3
115.05405	10.6
117.07018	16.3
119.08582	3.6
121.06551	2.3
123.04409	6.3
128.06230	2.8
129.06979	5.6
130.07738	2.3
131.04927	4.0
131.08539	13.8
135.08057	5.5
137.05992	4.6
141.07013	3.7
145.06471	43.5
145.10075	3.7
151.03931	13.6
157.06490	6.1
158.07259	5.0
158.10899	2.7
159.08061	6.7
163.07520	6.0
165.40602	2.6
168.09351	4.6
171.08011	4.3
173.05952	2.4
186.06789	5.5
187.07649	2.9
189.09142	2.5
191.07060	4.7
201.12700	18.0
219.13762	13.1
229.12215	100.0
247.13252	42.9
247.17043	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	247.1328
Annotation	6,7,9,10-Tetradehydroasteriscanolide
Peak:m/z	Relative Intensity
53.03941	84.6
57.07065	79.4
58.92279	10.3
67.05491	21.3
69.77554	9.3
71.01346	30.1
73.40967	9.6
79.05480	19.5
81.03403	73.2
81.07006	14.5
85.06492	21.2
91.05472	38.0
93.07014	19.2
94.59745	12.4
95.04960	50.8
98.33369	9.7
105.06996	10.5
115.05497	30.7
117.07004	55.7
118.00186	11.4
131.08556	23.7
135.08064	28.8
145.06500	37.7
151.07535	18.9
153.09084	20.4
163.07516	15.3
177.12775	28.6
185.25871	12.1
189.37546	11.7
201.12671	21.4
203.14368	15.5
219.13808	61.4
221.62314	13.2
229.12288	39.4
247.13258	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1327
Annotation	6,7,9,10-Tetradehydroasteriscanolide
Peak:m/z	Relative Intensity
55.05508	4.4
57.06842	3.2
57.07071	41.3
67.05495	12.4
69.03403	3.0
81.03403	4.0
81.07053	4.4
81.69455	3.8
85.06525	19.1
89.55152	3.4
90.42355	2.9
91.05468	4.6
93.07020	6.5
95.01325	11.3
95.04970	19.6
95.08578	9.8
105.07027	5.2
107.08567	4.2
109.10157	6.6
117.07010	6.3
119.72578	4.0
120.79707	3.6
123.04395	7.5
131.08595	6.4
135.08054	19.3
135.12399	3.6
137.09616	16.5
145.06509	10.3
201.12839	4.2
219.13794	100.0
223.31717	4.4
229.12173	6.0
247.13359	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	E-7,12,13H-5-Dehydro-12-oxolasiosperman
Peak:m/z	Relative Intensity
53.03927	0.5
55.01858	1.7
57.07056	0.7
59.22977	0.3
65.03918	0.6
67.05486	1.2
69.03407	1.1
69.07065	0.3
79.05484	3.7
79.66096	0.3
81.03407	8.4
81.07034	1.0
83.04955	0.8
83.30333	0.3
91.05463	6.3
91.71072	0.7
93.07030	3.6
94.21313	0.3
95.04967	2.6
95.08583	0.9
97.02868	1.4
103.05398	0.4
105.07037	4.0
107.04947	2.0
107.08594	5.0
109.06497	1.4
109.10109	0.6
111.04433	1.0
111.08064	0.5
115.05447	2.2
117.07011	7.5
119.04931	0.6
119.08556	2.3
121.06499	3.7
121.10139	0.4
129.06975	0.9
130.07794	0.5
131.08545	1.7
133.06474	2.6
135.08043	100.0
136.08350	0.6
137.09647	0.9
143.08527	0.8
144.09305	0.4
145.06476	1.5
145.10091	0.9
147.08064	2.6
148.08789	2.0
149.05928	0.4
149.09587	1.3
153.06912	0.5
155.08556	0.6
157.10092	0.5
159.08044	1.1
168.09329	0.6
172.08820	0.5
173.09616	1.0
173.13271	0.8
183.11661	0.9
187.11121	0.4
201.12744	3.4
211.11171	0.4
219.13814	0.8
229.12247	1.4
247.13293	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	3-Oxo-4,11(13)-ivaxallaradien-12-oic acid
Peak:m/z	Relative Intensity
53.03942	6.5
53.15826	3.2
54.39388	2.9
55.01862	7.0
55.05494	4.7
56.96554	3.1
57.07058	3.0
62.64743	3.4
67.05496	11.6
69.03416	4.2
79.05486	25.2
81.03408	100.0
81.03874	6.1
81.07041	18.3
83.04971	7.4
85.06526	4.3
91.05481	28.3
93.03383	3.7
93.07040	17.4
95.04957	14.7
95.08539	3.3
105.07031	25.8
107.04964	23.5
107.08593	10.3
109.06476	3.7
109.10124	6.4
110.12130	3.3
111.04457	3.8
115.05445	3.6
115.86089	3.5
117.06994	15.1
119.08565	16.8
121.06479	10.3
129.07014	3.6
131.08589	10.7
133.06520	9.8
133.10159	18.2
135.08051	28.6
143.08598	11.8
145.06502	13.1
145.10141	12.9
147.08052	23.5
149.09540	4.3
151.05124	3.4
159.08090	7.5
159.11699	5.4
161.09633	30.5
165.09137	8.0
168.09319	5.1
173.09692	6.3
173.13306	12.3
174.11975	3.1
179.10704	4.8
183.11746	8.7
201.12775	32.0
203.10603	4.0
219.13873	4.8
229.12286	7.6
247.10883	5.0
247.13329	13.5
247.16988	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	247.1326
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
53.03939	8.1
67.05513	9.5
69.03414	41.1
79.05487	11.9
81.07050	10.5
83.04981	31.8
88.92677	7.9
91.05512	25.7
92.11964	7.1
93.07055	14.6
95.04946	8.6
95.08629	6.5
97.02917	11.0
105.07064	21.3
107.08605	23.3
109.02894	18.1
109.06506	19.6
109.10185	8.8
111.04530	8.0
117.07046	19.5
119.08601	20.1
121.06536	27.2
121.10158	9.6
128.06239	9.7
131.08594	24.1
133.10176	12.8
135.08105	35.2
137.05925	7.6
143.08588	20.2
144.09384	8.9
145.06517	14.2
145.10175	17.8
145.35358	9.3
149.09680	27.9
158.10957	18.5
159.08133	18.0
159.11739	33.2
163.07590	23.9
171.08115	9.4
172.08917	9.3
173.09674	26.0
173.13277	47.0
183.11670	11.0
186.10452	25.5
187.11156	100.0
191.07077	33.0
201.12695	66.4
211.11302	10.8
229.12244	54.3
247.13184	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	[2aR-(2aalpha,5aalpha,9balpha,9calpha)]-2a,3,4,5,5a,6,9b,9c-Octahydro-9,9c-dimethyl-2H-naphtho[1,8-bc:3,2-b']difuran-2-one
Peak:m/z	Relative Intensity
53.03928	25.9
53.04912	4.9
55.01861	8.4
55.05491	12.4
57.06822	6.5
57.07067	62.2
58.31116	6.0
67.05494	18.9
69.03400	9.4
70.06587	8.6
71.01354	9.5
72.61903	5.6
79.05479	12.0
79.23150	5.8
81.03405	41.7
81.07042	15.0
83.04981	12.2
85.06543	15.6
91.05471	45.6
93.07043	19.8
94.06574	5.4
95.04955	34.4
95.08627	14.4
97.02895	48.7
105.07028	24.6
105.24814	4.9
106.08636	7.5
107.04907	8.0
107.08579	11.2
107.33129	7.2
114.42377	6.1
115.05454	25.0
115.46568	5.7
117.06995	35.5
119.08570	14.6
121.06485	18.2
123.04385	8.5
128.06218	11.4
129.06982	9.8
131.08586	23.1
133.06516	7.7
135.08044	35.9
137.09558	9.1
141.06935	7.8
142.07834	8.0
143.08553	17.4
145.06480	44.8
145.10216	9.9
147.08014	9.9
151.07556	21.2
152.04012	6.7
153.09166	7.5
155.08517	10.7
157.10132	8.2
159.08075	23.4
161.05927	9.2
161.09578	7.8
163.07535	30.1
168.09349	14.8
169.06340	7.1
173.06021	12.1
179.10725	7.3
183.11687	14.3
201.09274	8.2
201.12733	23.8
202.46895	6.2
219.13831	17.4
229.12276	27.5
246.24318	18.0
247.09698	17.1
247.13245	100.0
247.24628	14.5
266.43420	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	247.1328
Annotation	Loxoprofen
Peak:m/z	Relative Intensity
52.06356	2.0
56.96568	5.7
57.07070	2.4
57.30252	1.9
65.54125	2.2
69.03394	2.7
69.07059	2.1
79.05471	2.4
80.72712	2.1
81.07042	3.8
91.05478	14.2
93.07063	6.2
95.04964	4.4
105.07037	6.1
107.04947	5.6
109.06480	2.8
112.55605	2.4
115.05447	7.2
117.07011	11.1
119.06184	2.6
119.08559	6.4
121.06489	13.4
127.05542	2.7
129.07033	5.2
131.08575	7.4
133.06503	8.4
135.08061	6.5
141.06987	3.7
144.05725	5.5
145.06474	100.0
145.07590	5.6
146.07269	2.7
147.08047	17.8
155.08629	3.3
158.07214	3.4
159.08014	33.2
161.09641	4.3
163.07521	50.9
172.08852	8.5
173.05994	7.6
173.09630	10.2
177.09036	3.8
181.06485	4.0
186.10353	2.7
187.07585	3.2
191.07028	29.9
193.10104	3.9
196.08881	6.3
201.12738	28.2
211.11168	17.4
229.12238	23.9
247.13275	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	6,7,9,10-Tetradehydroasteriscanolide
Peak:m/z	Relative Intensity
55.05503	6.5
57.07063	9.1
61.03474	2.8
63.48597	3.0
67.05496	4.1
69.03407	6.1
79.05477	7.7
81.03398	3.2
81.07041	9.0
81.51225	3.0
83.04963	10.7
85.06501	4.0
91.05452	19.1
93.07024	7.8
95.04948	9.2
95.08588	4.0
97.02896	4.8
104.16267	3.0
104.99241	4.1
105.07045	11.5
107.04983	5.4
107.08601	8.6
109.06516	8.9
115.05461	7.4
117.06992	20.0
119.08600	6.9
120.76680	3.1
121.06509	4.1
128.06238	6.9
129.04491	3.4
129.07033	7.6
130.86014	3.6
131.08554	15.7
135.08046	17.8
137.09616	5.3
141.06900	5.4
142.07776	6.2
143.08571	12.7
145.06470	18.7
149.05972	8.5
155.08559	8.7
158.07426	4.0
159.08023	9.1
163.07594	18.3
168.09309	5.8
173.05937	7.2
182.02023	5.0
183.11736	11.8
187.07552	8.8
187.11205	4.2
189.05206	3.6
201.12802	11.7
205.12283	6.6
211.10957	4.8
219.13745	9.6
229.12219	14.4
241.86507	3.8
247.13264	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	6,7,9,10-Tetradehydroasteriscanolide
Peak:m/z	Relative Intensity
50.14635	5.6
53.03954	7.2
55.01877	5.5
57.07084	28.5
67.05515	25.2
79.05499	11.4
81.03404	7.8
81.07072	12.1
81.45061	6.7
83.04995	8.2
84.31611	6.2
85.06564	14.6
91.05482	15.6
93.07045	10.1
95.04996	13.2
95.08634	7.7
105.07077	18.4
106.14154	7.8
107.08643	14.9
109.10187	17.8
115.05473	7.7
117.07054	21.0
119.08560	13.3
121.06554	9.5
123.08084	8.5
131.08629	19.6
133.10159	7.2
135.08115	26.5
145.06442	38.7
145.10118	10.9
149.06017	7.0
159.08102	15.9
159.11743	10.1
163.07510	34.0
168.09351	7.7
173.06134	10.1
176.98352	6.5
177.09201	8.1
183.11737	12.2
187.07596	10.3
190.83723	6.4
191.07095	8.4
201.12732	13.9
205.12349	16.5
219.13812	32.9
229.12338	26.8
247.13268	100.0
247.15465	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	247.1328
Annotation	Lumisantonin
Peak:m/z	Relative Intensity
53.03945	10.4
55.05513	18.7
56.96569	37.6
59.04995	18.1
67.05514	29.0
69.03432	19.1
69.07069	26.0
72.08167	31.1
78.91609	11.2
79.05508	27.9
81.03380	13.9
81.07073	34.9
83.04994	32.3
83.89028	9.2
85.06542	18.5
86.09714	31.5
88.02183	12.2
91.05466	62.9
93.07072	45.9
94.95298	10.5
95.04996	32.3
95.08646	20.7
97.02923	14.1
105.07026	58.5
107.05009	32.6
107.08602	24.9
109.06519	22.2
109.10170	13.8
110.68412	11.7
111.08105	16.6
115.05475	25.1
117.06990	93.0
117.11545	10.0
119.08598	26.4
120.08153	18.1
121.06546	51.1
121.10138	14.5
128.06281	36.3
129.07034	12.2
131.08600	40.9
133.10172	18.1
135.08072	24.1
142.07796	14.8
143.08556	55.5
145.06473	69.4
145.10135	18.2
155.08626	14.7
159.06378	10.0
159.08138	26.1
163.07564	22.3
168.09354	19.9
173.05962	52.5
183.11768	37.7
187.11189	13.7
201.12813	39.0
229.12349	33.5
247.13271	100.0
247.15059	9.6
252.69072	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	247.1327
Annotation	Lumisantonin
Peak:m/z	Relative Intensity
51.04568	4.3
52.17170	4.7
53.03916	5.6
55.05499	17.8
57.07079	6.6
66.78206	4.8
67.05492	21.0
69.03422	8.2
69.07041	9.4
72.99033	5.1
79.05481	68.7
79.37241	4.3
81.03403	36.2
81.07037	23.6
82.03244	5.2
83.04966	28.0
91.05496	32.5
91.19347	5.1
93.07045	29.8
95.04967	22.8
95.08594	24.5
97.06538	9.5
105.07018	46.2
107.04951	11.0
107.08547	10.0
115.05412	7.3
117.07024	32.3
120.97115	5.6
121.06504	17.2
123.08083	6.7
125.05982	8.6
125.55254	5.4
130.07906	7.3
131.08556	22.9
133.06517	28.8
133.10107	11.7
145.06477	19.9
145.10100	12.9
149.09581	27.6
155.08580	8.5
159.07993	12.8
173.09595	37.2
191.06923	7.8
201.12750	12.4
229.12175	13.6
247.13271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	(1'E,5'Z)-2-(2',6'-Dimethylocta-1,5,7-trienyl)furan-4-carboxylic acid
Peak:m/z	Relative Intensity
57.52423	15.4
59.73967	16.3
63.89427	15.0
67.05493	29.4
71.90850	19.1
79.05511	54.3
81.07072	79.5
90.69925	18.8
91.05476	26.1
95.04984	25.1
96.58019	18.9
105.07039	37.2
105.57309	19.8
107.04987	82.8
114.86425	17.8
119.08606	32.0
121.06496	31.0
129.50934	17.3
133.06497	100.0
145.06453	98.1
149.06055	23.9
159.08107	41.3
161.06013	25.2
185.09665	23.4
201.12805	44.4
247.13448	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1327
Annotation	Lumisantonin
Peak:m/z	Relative Intensity
51.02354	7.0
53.03936	33.5
55.05503	17.6
56.96556	9.6
58.94749	6.9
59.04969	10.9
59.06052	6.8
63.77884	7.1
66.71602	7.3
67.05488	26.1
69.03423	17.2
69.07061	10.1
71.04969	16.9
79.05499	20.5
81.03395	26.3
81.07049	30.3
83.04977	33.2
91.05463	89.1
91.71621	19.9
93.07025	35.7
95.04935	46.2
95.08617	19.6
97.02873	10.9
103.08572	8.5
105.07017	51.3
107.04973	33.3
107.08588	15.4
109.06541	13.5
115.05487	14.9
117.07009	54.9
119.08588	24.4
121.06513	37.6
122.07306	14.0
123.08089	16.3
125.05984	12.0
126.83598	11.5
127.44579	7.9
128.06226	9.2
129.07042	10.1
131.08565	38.2
133.06503	13.2
133.10141	30.8
135.08054	33.6
143.08582	22.9
145.06467	40.8
145.10109	24.3
147.08078	22.7
149.05983	25.1
155.08563	10.4
159.08115	12.2
159.11642	14.1
161.09627	22.1
163.07515	12.5
168.09334	8.9
171.08037	9.9
173.05856	10.0
173.13303	12.9
183.11722	15.4
191.10834	14.7
201.12738	68.3
216.12488	18.7
219.13879	21.4
228.56871	10.9
229.12231	46.5
247.13290	100.0
248.15005	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	247.1328
Annotation	Loxoprofen
Peak:m/z	Relative Intensity
50.10308	6.2
50.34901	6.3
52.49537	6.1
53.03938	8.4
53.75070	7.5
55.05491	21.2
56.98210	6.5
57.96981	6.7
59.04995	41.8
62.84954	7.9
67.05484	18.4
69.03425	9.3
69.07050	9.1
72.38997	6.5
73.66920	7.4
74.91823	8.0
79.05492	38.8
81.03402	11.3
81.07053	17.4
83.04992	48.4
86.04247	7.3
88.93003	7.1
91.05484	58.6
92.56224	10.0
93.07038	31.0
94.61422	6.9
95.04961	21.9
95.08600	13.2
97.01340	7.1
105.07032	38.4
107.04943	18.2
107.08601	12.5
107.31623	7.3
109.06509	17.0
111.04433	11.3
115.05459	28.0
117.07026	78.2
119.08578	12.0
121.06511	25.0
122.07275	15.6
123.08115	8.7
128.06247	26.8
131.04935	10.9
131.08588	41.0
133.06487	12.7
133.10106	15.4
135.08055	26.4
141.06886	8.5
143.08548	32.1
145.06462	60.0
145.10114	20.2
147.08037	16.0
149.06018	19.9
155.08566	14.9
157.06468	9.0
158.07321	9.9
159.08070	21.5
161.09630	36.5
163.07550	19.5
171.72125	8.0
173.06030	24.0
173.09666	11.4
183.11780	11.8
187.40094	7.8
189.09102	43.5
201.12701	70.5
213.06380	8.4
229.12279	43.7
247.13274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	3-Oxo-4,11(13)-ivaxallaradien-12-oic acid
Peak:m/z	Relative Intensity
53.03939	24.1
53.47097	7.3
55.01839	9.6
55.05507	17.6
56.96563	18.7
57.07051	13.8
59.04979	32.4
60.04514	9.3
60.08167	11.4
65.22470	8.4
67.05489	28.9
69.03414	18.1
69.07056	28.9
71.04993	9.2
72.08147	21.9
79.05487	41.3
79.95255	9.4
81.03406	34.5
81.07047	41.2
83.04985	49.1
84.04515	10.2
84.08133	26.3
85.06526	11.5
86.09693	41.4
90.63744	8.3
91.05466	61.9
93.07038	43.6
94.01448	8.8
95.04957	29.4
95.08595	30.3
97.02892	19.6
105.07037	45.4
107.04958	14.2
107.08585	37.0
109.06519	23.6
109.10172	22.3
110.07249	14.6
115.05445	29.3
117.07026	100.0
119.08595	35.3
120.08118	37.6
121.06521	23.1
121.10148	22.8
123.11684	10.1
125.09589	9.2
127.91490	8.4
128.06242	31.6
129.06964	21.2
129.94933	9.7
131.08583	37.5
133.10101	26.5
135.08049	34.0
135.11700	10.4
137.06017	15.3
137.09624	22.3
141.06970	14.4
143.08589	65.8
145.06476	74.9
145.10104	18.4
147.08052	14.8
149.09656	12.5
151.07596	9.8
155.08578	13.4
157.10204	9.8
159.08044	28.6
159.11661	22.1
163.07564	24.8
171.08104	12.1
173.05939	68.3
173.13240	14.9
175.07593	13.7
175.14888	12.8
183.11699	27.9
183.48422	10.1
186.03163	36.6
186.10527	12.1
187.11168	35.1
191.07062	11.2
191.37581	11.0
193.15909	29.6
201.05513	21.7
201.12805	37.0
211.11247	15.3
229.12219	69.1
247.10796	15.8
247.13148	87.1
250.50421	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	247.144
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08156	81.3
65.19950	1.6
84.04959	1.9
86.16590	1.6
91.05494	3.1
91.71613	1.6
100.67087	1.6
111.90839	1.7
117.07021	2.3
117.23101	1.6
118.06528	38.2
129.09364	1.7
132.08025	1.8
142.06558	2.9
143.07338	2.4
144.08093	21.9
144.21458	2.0
146.06001	91.5
153.14842	2.0
170.06053	7.3
188.07059	100.0
193.93248	1.9
213.37082	1.7
229.15224	1.9
247.14450	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	247.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59996	1.6
53.71507	1.6
55.05497	2.6
56.05037	11.2
56.96551	6.0
60.04506	3.0
69.71505	2.0
70.06592	6.1
72.08125	5.7
74.06075	18.0
77.91621	2.0
84.04491	3.2
84.08135	8.9
86.09702	100.0
91.05486	4.3
95.04960	2.3
102.05551	3.4
113.76533	2.0
116.07096	15.6
119.57961	2.1
120.08088	10.9
129.10291	2.9
134.07144	2.2
134.08133	45.1
136.06210	2.4
136.07570	3.5
137.27989	2.0
144.06573	5.6
177.07805	2.4
199.77646	2.4
229.15578	7.1
247.06117	2.7
247.16728	3.3
248.07878	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	247.169
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.00289	3.0
55.01855	5.0
55.05494	2.2
56.96547	2.2
67.05494	13.0
69.07059	100.0
79.05471	9.1
81.03390	3.1
81.07040	14.7
83.04990	3.7
83.08585	1.7
91.05466	13.1
93.07040	7.5
95.01338	2.8
95.04958	4.6
95.08608	5.1
97.06522	12.1
105.07024	6.3
107.04957	7.4
107.08598	7.0
109.06525	6.6
109.10088	2.2
110.09698	1.7
117.07001	4.7
119.08566	3.5
119.40916	1.8
121.10148	7.0
128.92183	1.9
131.08578	7.5
133.10112	9.5
135.08072	4.7
143.30367	2.2
145.10107	6.6
149.09633	15.7
151.11223	11.8
155.13850	1.7
159.07974	2.1
161.10847	1.7
169.10103	1.7
177.09096	4.7
187.14838	2.1
201.16470	2.2
219.17406	2.1
229.15944	4.8
247.13112	2.1
247.16914	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	3.0
55.01855	5.0
55.05494	2.2
56.96547	2.2
67.05494	13.0
69.07059	100.0
79.05471	9.1
81.03390	3.1
81.07040	14.7
83.04990	3.7
83.08585	1.7
91.05466	13.1
93.07040	7.5
95.01338	2.8
95.04958	4.6
95.08608	5.1
97.06522	12.1
105.07024	6.3
107.04957	7.4
107.08598	7.0
109.06525	6.6
109.10088	2.2
110.09698	1.7
117.07001	4.7
119.08566	3.5
119.40916	1.8
121.10148	7.0
128.92183	1.9
131.08578	7.5
133.10112	9.5
135.08072	4.7
143.30367	2.2
145.10107	6.6
149.09633	15.7
151.11223	11.8
155.13850	1.7
159.07974	2.1
161.10847	1.7
169.10103	1.7
177.09096	4.7
187.14838	2.1
201.16470	2.2
219.17406	2.1
229.15944	4.8
247.13112	2.1
247.16914	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1692
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03952	1.8
55.05503	6.8
57.07051	6.0
59.05008	1.7
59.85084	1.3
61.76944	1.3
62.67875	1.7
65.03938	2.9
67.05499	64.1
69.03400	2.6
69.07069	10.4
79.05483	11.4
81.07052	27.8
85.06517	3.6
89.66144	1.5
91.05476	17.2
91.60368	1.4
93.03394	3.9
93.07043	27.4
95.04955	4.7
95.08598	17.8
105.07031	23.5
107.08588	15.1
108.17355	1.8
109.06539	2.4
109.10155	100.0
115.05466	3.1
117.07006	12.2
119.08571	20.0
121.06508	4.0
121.10133	4.8
123.08094	1.7
123.11698	3.5
126.48090	1.6
128.06169	2.1
129.07013	2.8
131.08572	33.3
133.06520	3.0
133.10141	7.6
134.10927	5.0
135.08063	7.1
135.11687	4.8
137.05939	2.0
142.07762	2.5
143.08549	5.4
144.09308	2.2
145.06503	6.3
145.10109	24.7
147.08083	1.7
147.11678	2.1
149.05949	5.0
155.08607	2.9
157.10098	3.0
159.08096	8.1
159.11711	10.8
161.09541	1.9
163.07570	6.0
168.09332	3.8
173.06056	3.2
173.09557	2.2
173.13200	2.6
183.11710	4.0
187.14807	29.3
191.10677	8.4
197.13237	2.0
201.12743	2.1
205.12354	3.5
211.11269	2.2
215.14360	6.3
219.13834	6.9
229.12198	7.9
229.15660	2.2
247.13298	27.7
247.16876	17.5
259.41199	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	247.1692
Annotation	(-)-Methyl asperageigerate
Peak:m/z	Relative Intensity
53.03938	2.6
55.05494	7.9
57.07071	11.6
59.05003	2.2
65.03919	3.8
67.05492	63.0
69.07066	11.4
77.85950	2.0
79.05481	12.5
81.03407	2.6
81.07050	21.0
83.04971	3.9
85.06532	3.8
91.05476	15.6
91.47091	1.9
93.03417	3.2
93.07036	18.0
95.04935	4.0
95.08594	17.1
97.02903	4.5
105.07033	16.4
107.08569	11.5
109.06519	3.6
109.09393	5.2
109.10147	100.0
117.07021	8.6
119.08548	11.0
121.06518	5.4
121.10138	2.3
123.08039	3.8
123.11712	2.4
124.06608	2.3
125.06003	3.3
128.06232	2.0
129.06967	4.5
131.08562	35.2
133.06438	2.6
133.10196	3.9
135.08052	7.2
135.11717	5.6
143.08609	2.3
145.06459	14.4
145.10121	19.9
147.11702	2.6
151.03917	3.5
153.09122	2.2
159.08063	5.5
159.11716	6.7
163.07564	5.0
177.09143	2.4
187.14792	25.4
191.10641	9.6
201.12730	5.7
215.14362	7.6
219.13820	11.9
229.12204	16.6
247.13293	14.8
247.16879	20.4
261.65405	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	247.169
Annotation	(-)-Methyl asperageigerate
Peak:m/z	Relative Intensity
53.02229	3.0
55.05494	12.7
57.07061	10.1
59.62577	3.3
61.88409	3.2
65.03926	7.0
67.05173	5.9
67.05492	66.1
69.03400	3.3
69.07061	12.4
73.98463	3.3
79.05471	16.1
81.07039	31.7
83.04978	7.2
91.05461	22.4
93.07037	42.6
95.04937	11.2
95.08590	29.0
97.02868	9.9
102.79435	3.6
105.07029	37.3
107.08591	13.8
109.10153	100.0
116.71156	3.9
117.07019	15.0
118.56058	3.4
119.08558	35.4
121.06500	6.0
121.10152	11.1
128.82684	3.8
129.07011	5.7
131.08536	35.6
133.10156	15.5
134.10933	12.1
135.08070	9.8
145.06523	11.0
145.10141	29.0
151.11201	6.2
155.08562	5.5
159.08026	9.5
159.11687	18.0
173.09508	5.4
187.14819	37.6
191.10666	11.5
197.41487	4.3
198.03452	4.6
201.12692	8.6
215.14255	7.1
219.13823	14.4
229.12364	8.7
247.13264	23.4
247.16954	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1691
Annotation	(-)-Methyl asperageigerate
Peak:m/z	Relative Intensity
55.05493	8.5
57.07058	15.0
67.05170	5.5
67.05495	65.2
69.03392	5.7
69.07050	13.1
73.80318	3.0
75.71969	3.0
79.05489	18.8
80.06254	3.0
81.07047	44.4
83.04990	4.2
85.06544	5.3
91.05460	33.2
92.06226	4.3
93.03379	3.9
93.07034	52.3
93.33458	3.3
95.04958	10.8
95.08603	46.0
97.02894	19.0
105.07021	62.2
107.04967	3.8
107.08578	26.3
109.06535	3.8
109.10147	100.0
115.05452	3.9
117.07018	15.2
119.08575	45.7
119.41991	3.1
121.06503	4.2
121.10136	17.9
123.04430	3.5
123.08086	5.4
123.11697	3.9
125.05911	3.9
129.07016	5.5
131.08551	41.7
133.10114	27.4
134.10919	18.6
135.08067	7.8
135.11722	4.2
135.94957	4.7
145.06490	12.4
145.10115	29.5
151.11185	11.7
159.08086	7.3
159.11661	26.4
163.07622	7.2
173.13350	4.4
177.36179	3.5
187.14792	46.5
191.10616	9.7
201.12781	6.7
215.14287	6.6
219.13805	8.3
229.12262	8.1
247.13243	26.6
247.16846	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	248.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10703	3.1
55.01849	3.4
55.05498	14.3
55.05761	3.0
56.05021	11.1
56.96543	3.6
57.03406	3.0
60.30085	3.0
62.63117	3.3
67.05476	12.8
69.07068	4.7
69.97943	4.3
70.06583	20.4
77.26032	3.1
79.05487	17.0
81.03385	4.5
81.07062	8.6
91.05470	74.3
93.07024	16.2
95.04955	4.5
95.08601	8.7
98.97556	4.7
105.07024	25.9
107.08580	15.3
117.06995	18.4
118.66270	5.0
119.08573	100.0
121.06494	4.2
121.10147	7.0
129.06973	11.3
131.08531	9.3
131.92218	3.6
133.10132	68.3
143.08542	5.5
145.10123	5.8
147.08064	13.7
147.11742	9.9
156.79703	4.3
157.10190	6.3
159.11681	10.5
161.13251	96.8
161.14491	7.6
171.11641	4.3
175.11157	4.8
189.12717	12.3
203.18027	9.2
219.17438	7.0
231.17415	20.2
248.20035	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	249.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05563	12.0
68.91243	17.2
74.85374	15.0
94.93012	100.0
107.71263	13.8
111.52682	16.5
120.75400	15.1
138.97636	16.2
150.71420	16.2
175.34959	16.1
201.96211	17.4
249.03845	70.9
254.61406	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	3-Dimethylallyl-4-hydroxyphenylpyruvate
Peak:m/z	Relative Intensity
55.05507	15.8
56.10027	5.3
57.07079	9.2
67.05504	16.2
69.03442	10.3
70.06590	10.9
71.04996	21.9
75.02466	5.7
79.05507	15.4
81.03422	10.9
81.07079	18.4
83.04990	13.3
85.02901	9.8
88.80360	7.1
91.05502	26.6
93.07045	13.4
95.04994	26.7
95.08616	7.5
99.04472	17.8
105.03434	13.3
105.07006	38.1
107.04945	60.3
107.08608	10.8
109.06563	13.2
112.77219	7.2
115.05495	9.8
119.04947	9.3
119.08584	11.0
120.70568	7.6
128.06248	11.8
129.07056	22.0
133.06485	95.1
135.04501	23.0
142.07777	11.2
143.08603	12.2
144.05743	20.5
145.06450	41.2
147.04480	15.9
147.08066	45.4
149.06026	12.0
151.03896	63.5
153.06934	8.5
157.06482	56.0
157.10179	20.0
159.08110	12.8
161.06033	28.0
167.08595	10.9
171.08115	29.5
175.11259	18.9
185.09593	100.0
187.07622	11.5
195.08041	17.1
203.10822	12.2
213.09227	29.4
221.11984	12.1
231.10529	11.1
248.20081	9.8
249.11174	44.9
249.14989	16.5
249.20433	8.3
267.12344	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	249.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35958	8.3
53.03937	57.1
53.55370	8.3
56.96552	43.9
57.07071	58.1
67.05489	28.3
79.05477	29.9
81.03409	68.0
81.07048	31.7
85.06534	31.0
91.05485	32.9
93.07043	19.8
95.05000	12.7
95.08595	11.9
97.02875	17.6
105.07039	22.5
109.06520	25.9
117.07080	16.4
119.08591	34.4
129.06963	19.8
137.05966	54.8
137.09662	17.0
143.08595	14.0
147.08044	49.3
203.14288	100.0
226.11066	17.5
231.13797	65.5
249.14890	63.9
267.13849	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1483
Annotation	Furodysin lactone
Peak:m/z	Relative Intensity
54.00671	2.2
55.01848	2.4
55.05491	3.5
57.07051	8.8
58.93179	2.3
59.04971	3.9
67.05471	7.6
73.06528	6.1
79.05458	6.8
81.03379	3.0
81.07029	9.1
82.30798	2.4
83.60612	2.4
85.06531	3.3
91.05487	17.7
93.07018	6.3
95.08577	2.6
97.02854	4.6
105.07008	8.7
107.08580	2.7
109.06478	4.6
117.07065	5.5
119.04836	2.6
119.08578	7.1
121.06557	3.1
123.08011	3.9
127.90850	2.7
129.06958	5.8
131.08575	5.6
133.06462	5.0
137.09648	3.3
144.05626	3.1
147.08055	5.6
159.08064	3.8
175.11119	3.6
187.11224	12.9
189.12726	14.5
203.14319	7.2
205.12294	4.2
231.13844	13.8
235.73033	3.0
249.14835	100.0
259.05487	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1484
Annotation	Mitchellene C
Peak:m/z	Relative Intensity
51.57662	2.4
55.59356	2.4
57.06852	2.6
57.07068	31.7
57.86232	2.5
67.05486	4.7
68.21838	2.9
69.07048	6.4
71.04967	12.1
71.05324	2.9
77.43401	2.5
79.05468	6.0
81.07036	7.5
83.04945	3.9
85.06531	12.4
89.02316	2.8
91.05457	6.9
93.07036	5.0
95.04936	9.5
95.08575	12.7
97.06521	7.6
105.06990	6.1
109.06492	6.2
109.59389	2.8
116.74714	3.3
119.08559	8.0
123.08051	5.8
125.05981	6.8
129.58966	3.3
137.09590	9.1
143.08527	3.9
147.08055	7.8
151.11177	13.8
152.72244	3.0
161.09587	4.8
165.09053	4.5
183.29369	3.8
203.14296	19.2
221.15402	19.4
231.13837	7.3
249.14838	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1484
Annotation	6,7-Dehydrovernopolyanthofuran
Peak:m/z	Relative Intensity
53.03926	7.2
55.05490	18.1
56.96550	10.8
57.07059	10.8
59.04999	5.8
65.03937	4.9
67.05476	19.0
69.03422	9.9
69.07040	12.1
69.59460	4.0
71.78690	4.3
73.31779	4.1
77.82701	4.7
78.77150	4.1
79.05483	26.3
81.03406	100.0
81.07043	21.3
83.04952	28.4
85.02841	6.6
85.06535	8.2
89.44400	4.6
91.05464	40.1
92.05804	7.3
93.07033	65.7
95.01295	6.6
95.04953	18.2
97.02869	10.9
98.97584	6.2
105.07027	32.6
107.04947	12.8
107.08588	61.7
109.06527	6.1
109.10159	5.3
111.04459	38.0
117.06992	8.7
119.08574	29.9
120.08858	6.1
121.06519	5.9
121.10168	31.3
129.06987	10.9
131.08531	12.6
132.15128	5.5
133.06470	7.2
133.10101	15.8
135.11658	9.9
139.03886	25.7
143.08551	12.7
145.10114	5.2
147.08031	19.1
147.11673	9.6
149.09602	16.1
157.10075	9.1
161.09602	11.5
161.13232	12.5
165.09169	5.6
167.10689	22.4
175.07587	5.3
181.12233	12.9
185.13179	9.1
193.08609	20.0
203.14395	13.4
213.12563	5.7
231.13849	20.3
241.68999	5.1
249.14784	28.5
249.20418	8.2
249.91972	5.4
252.05620	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	249.1484
Annotation	(+/-)-ar-Todomatuic acid
Peak:m/z	Relative Intensity
50.65129	4.9
53.03922	14.1
53.64970	4.4
55.05510	4.8
56.96561	5.9
57.07062	53.8
59.04987	9.2
62.51360	4.5
63.00275	4.2
63.13631	4.0
67.05498	13.4
72.90089	4.8
74.27438	5.4
77.30284	4.8
79.05470	13.4
81.03410	13.5
81.07037	19.7
83.04955	10.3
85.06522	23.2
91.05461	25.1
95.04945	10.5
95.08581	12.6
96.14974	5.1
105.07027	27.4
107.08591	8.5
109.06512	28.2
111.04390	6.8
116.21883	5.7
117.07032	8.9
119.08598	30.1
121.67606	5.0
125.06027	5.9
128.06226	10.4
129.06989	8.8
133.06464	6.9
137.09612	11.0
143.08551	21.5
145.10100	7.3
147.08043	39.5
161.09576	9.1
203.14304	100.0
215.14291	6.1
231.13734	39.7
236.79802	5.5
249.14810	55.6
249.18417	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	249.1483
Annotation	(+/-)-ar-Todomatuic acid
Peak:m/z	Relative Intensity
51.05870	3.8
55.01882	4.1
57.07062	31.0
62.32264	3.8
63.97659	4.2
68.13213	3.6
69.29208	3.3
71.21857	3.5
79.05497	5.7
85.06561	19.3
91.05508	16.5
95.05000	5.5
95.08635	6.5
105.07012	20.9
109.06586	6.3
111.87383	3.8
113.81227	5.3
114.94742	3.6
117.07023	9.1
119.08561	29.8
128.06273	12.8
129.07008	6.9
131.08553	5.1
137.09641	6.6
143.08539	20.5
145.06512	6.0
147.08017	21.6
160.08795	6.1
203.14288	100.0
231.13757	24.1
249.15030	13.7
252.32503	4.9
267.37231	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1485
Annotation	(+/-)-ar-Todomatuic acid
Peak:m/z	Relative Intensity
51.16246	2.1
51.72032	2.2
53.03934	4.2
55.01853	3.7
55.17631	2.9
57.06840	2.8
57.07069	37.3
59.38223	2.4
62.05265	2.3
63.85952	2.2
67.05486	5.4
69.07053	3.3
79.01144	2.2
79.05488	9.6
81.03400	3.9
81.07045	7.6
82.66370	2.5
83.04986	2.7
85.06536	13.8
91.05482	11.3
93.07057	5.5
95.04960	8.8
95.08610	8.6
97.06528	5.0
105.07021	22.8
107.04940	5.3
107.08585	3.3
109.06544	5.4
116.97753	2.5
117.07012	6.9
119.08577	23.8
128.06192	14.2
129.06998	9.9
133.10149	3.9
137.09604	9.7
143.08546	18.2
145.06448	4.5
147.08032	30.9
160.08867	5.1
161.09598	4.8
187.94975	3.0
203.14293	100.0
231.13821	27.7
249.14841	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1484
Annotation	6,7-Dehydrovernopolyanthofuran
Peak:m/z	Relative Intensity
51.02356	2.0
53.03940	90.0
57.07066	11.0
59.04963	2.4
67.05499	4.0
79.05484	7.0
81.03407	100.0
81.07056	4.6
83.04974	4.9
85.06526	5.5
91.05470	10.3
94.06564	7.1
95.04951	8.4
95.08613	2.2
95.28096	2.1
105.07021	7.3
107.04958	6.8
117.06979	4.5
119.08584	5.3
129.07014	4.8
134.52794	2.1
137.09581	15.9
143.08543	4.4
145.06491	2.4
147.08029	26.2
147.91364	2.0
153.39372	2.3
158.37788	2.1
159.28867	2.2
177.42609	2.3
203.14243	19.3
219.18359	2.0
231.13774	69.3
239.08424	2.3
249.14908	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1483
Annotation	Pulicaric acid
Peak:m/z	Relative Intensity
53.03939	100.0
57.07064	27.4
81.03417	92.9
81.07048	16.9
91.05463	23.6
97.02865	13.3
102.46735	13.5
105.07021	20.0
119.08582	24.1
128.30980	15.8
131.55232	13.8
137.09634	23.5
147.08069	68.5
169.40382	15.6
191.44423	15.0
203.14299	42.4
227.71097	16.2
231.13843	98.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1484
Annotation	Periplanone B
Peak:m/z	Relative Intensity
54.83876	3.5
55.05496	7.2
56.96554	7.6
58.06610	3.2
59.05005	17.9
63.52119	3.0
67.05480	11.3
69.03422	6.8
69.07044	5.6
73.66861	2.9
79.05474	8.6
81.03387	4.6
81.07042	16.4
82.17515	3.0
83.04974	9.1
85.02906	4.0
85.06561	4.5
91.05458	6.1
93.07034	11.5
95.04965	8.2
95.08599	6.7
105.07031	12.4
107.04991	6.3
107.08585	5.2
109.06531	7.3
119.08557	11.1
131.08548	5.5
145.10100	6.2
147.08057	12.7
161.09634	4.2
170.71002	3.5
195.79588	4.6
231.13835	11.5
248.24843	13.6
249.12292	5.9
249.14819	100.0
249.25163	7.4
265.58279	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	249.1484
Annotation	Periplanone B
Peak:m/z	Relative Intensity
55.01837	1.1
55.05487	3.5
57.07047	3.9
59.05002	1.9
67.05472	3.2
68.30032	1.4
69.07043	1.5
79.05460	4.1
79.99516	1.4
80.80216	1.5
81.03407	6.8
81.07032	4.8
85.06519	3.1
91.05463	8.8
91.10686	1.2
93.07016	5.6
95.04945	2.2
95.08569	2.1
97.06528	1.6
103.05453	2.1
105.07027	8.1
107.08589	2.3
107.32556	1.3
107.96564	1.4
109.06486	4.5
117.06981	3.4
119.04948	2.1
119.08549	7.1
121.06511	3.2
123.08000	1.8
128.06212	4.3
129.06985	5.0
131.04930	3.4
131.08560	3.6
133.06467	2.5
133.10088	1.9
143.08568	2.9
145.06470	4.1
147.08047	6.0
149.09764	1.7
161.09608	2.9
162.17931	1.5
171.08034	5.8
189.09074	12.0
200.32826	1.7
203.14398	3.3
231.13791	4.3
232.40324	1.7
249.14821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1483
Annotation	CHEBI:67422
Peak:m/z	Relative Intensity
54.90163	7.3
55.09735	9.0
57.07059	32.7
65.03941	8.6
67.05494	15.6
69.03428	14.3
69.07067	17.2
79.05474	11.4
81.03410	9.3
81.07050	29.7
83.04976	9.0
85.06547	16.6
91.05473	26.7
91.70912	18.9
93.07056	20.2
95.04958	10.9
95.08588	13.8
95.28105	7.9
97.02873	15.9
105.07032	15.2
109.06505	52.6
118.37211	9.1
119.08590	32.3
121.06512	22.4
129.07036	29.0
133.10178	11.5
147.08037	88.1
151.07571	30.0
151.11136	10.0
189.12807	16.3
193.08635	18.9
203.01854	10.5
203.14345	12.6
221.15422	15.6
231.13803	26.5
249.14807	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1483
Annotation	Acutifolone B
Peak:m/z	Relative Intensity
51.93375	2.6
57.07067	2.7
58.91375	2.1
59.04999	19.6
61.82043	2.5
67.05489	6.1
70.85274	2.5
74.99072	2.7
81.07031	6.2
82.18584	2.7
91.05457	4.8
95.04980	4.3
105.07033	7.5
107.77591	3.3
109.06518	6.6
119.08565	5.9
131.08571	5.0
145.10159	5.7
147.08046	8.0
150.33360	3.1
173.09622	6.4
183.23924	3.4
249.14824	100.0
249.17244	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1483
Annotation	loxoprofen active metabolite
Peak:m/z	Relative Intensity
52.25332	3.6
55.05492	4.4
62.47253	3.6
66.79661	3.9
67.05505	27.7
67.89342	4.3
69.03409	6.1
77.88004	3.9
79.05482	19.7
81.07046	20.0
90.30148	4.7
91.05444	25.0
93.07046	34.3
95.04972	19.0
95.08601	28.4
97.02824	4.8
105.07024	27.8
107.08611	11.2
107.52108	4.2
109.06489	19.6
109.10114	7.7
111.08056	11.7
117.07026	5.6
119.08578	100.0
119.17767	3.7
121.06508	17.9
121.10092	6.2
123.08128	5.2
128.06261	5.5
130.16661	4.3
131.08601	11.6
133.10114	12.3
135.08051	9.4
141.97609	4.7
143.08572	9.9
145.10098	5.8
145.62459	4.6
150.28749	4.5
157.10170	9.7
161.09697	6.4
185.13251	14.5
195.11684	5.4
203.14333	13.5
213.12724	21.1
214.92252	4.2
231.13831	18.5
249.14841	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	249.1485
Annotation	(+/-)-ar-Todomatuic acid
Peak:m/z	Relative Intensity
53.03939	7.0
55.01861	3.5
55.05502	2.8
56.50933	2.3
57.07070	41.0
59.04980	3.2
67.05497	7.6
67.07908	2.6
67.83751	2.5
69.07040	3.9
79.05495	10.1
81.03418	6.1
81.07038	9.6
83.04950	3.5
85.06541	15.6
91.05473	12.6
93.07065	2.7
95.04960	8.8
95.08596	9.1
96.12941	3.1
97.06519	3.4
105.07020	29.6
107.05027	3.6
109.06500	3.4
112.36883	2.9
117.07026	7.7
119.08562	24.6
128.06235	14.3
129.07048	6.4
132.05728	2.5
133.06479	2.7
133.10121	4.9
136.54173	2.8
137.09618	10.7
137.76102	3.3
139.09712	3.1
143.08591	16.0
145.06458	5.6
147.08051	31.8
160.08881	4.5
161.09612	3.9
203.14291	100.0
219.37328	3.5
231.13783	33.2
249.14771	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	249.1484
Annotation	Parthenolide
Peak:m/z	Relative Intensity
53.03929	6.6
53.13607	2.2
55.05493	3.2
57.07067	53.7
59.04971	7.9
59.87144	1.9
60.96369	2.1
61.40892	1.9
67.05496	16.1
69.03411	5.0
69.07040	6.9
76.54327	2.6
79.05486	72.5
81.03375	8.0
81.06680	2.5
81.07045	30.0
83.04938	8.6
85.06535	19.0
91.05469	22.7
91.71697	2.3
93.07014	7.3
95.04974	15.9
95.08597	30.3
97.02844	4.8
97.06496	18.3
99.04441	4.0
105.07015	13.9
107.04913	8.6
109.06459	4.5
116.29120	2.7
117.06986	9.6
119.08565	17.5
123.08039	10.8
125.05974	8.2
125.09610	14.0
128.06197	3.3
129.06998	8.5
131.08556	4.4
133.10112	4.5
135.04312	3.1
137.09549	7.3
143.08620	3.2
145.10175	3.2
147.08035	23.5
151.11174	14.9
158.17545	2.6
161.09575	4.4
175.07484	2.8
179.02701	2.7
189.09163	2.6
203.14276	35.4
231.13765	25.2
249.14830	100.0
261.02335	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	249.1484
Annotation	Phomadecalin A
Peak:m/z	Relative Intensity
51.43543	4.9
51.65488	5.1
55.04171	5.8
55.05513	7.1
56.96548	11.1
59.04994	72.9
63.36773	5.7
67.05492	25.7
69.03407	11.8
70.06571	8.6
70.30249	5.4
81.07051	27.5
83.04961	20.4
85.02888	6.6
86.09716	10.2
91.05467	32.5
93.07030	12.1
95.04974	13.9
105.07033	32.5
107.08572	8.6
108.23749	5.6
109.02876	5.5
109.06533	22.7
109.10117	7.4
117.07025	8.8
119.04963	10.0
119.08567	16.5
129.07021	14.6
130.07776	10.8
131.08585	18.6
132.08121	9.9
133.10153	6.4
143.08534	13.4
145.10144	25.5
147.08041	30.6
149.09596	12.2
158.07291	9.3
159.11681	8.3
161.09583	8.5
163.11206	18.0
173.09660	31.1
176.07065	15.8
187.11182	9.1
191.10664	39.3
193.92793	6.6
231.13766	100.0
249.12408	10.3
249.14757	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	249.1484
Annotation	Phomadecalin A
Peak:m/z	Relative Intensity
52.37141	3.4
55.05491	7.2
59.04737	5.3
59.05000	69.9
62.91188	3.3
67.05493	9.8
69.03419	5.9
70.06577	4.2
72.43851	3.2
79.05471	11.6
79.41329	3.4
81.07046	21.6
83.04978	17.8
91.05468	27.2
93.07037	15.6
95.04948	10.4
95.08622	11.5
105.07029	28.0
107.08569	9.9
109.06509	24.4
115.05435	5.5
117.06989	10.8
119.04970	4.3
119.08589	20.1
121.06525	8.0
121.10107	5.3
128.06178	4.3
129.07043	7.2
131.08572	22.0
133.10138	8.4
142.07831	5.0
143.08582	6.1
145.06493	7.1
145.10141	22.2
147.08055	25.2
149.09648	7.7
150.08322	4.6
151.43382	4.3
155.08612	4.9
158.07298	6.4
161.09586	6.1
163.11195	9.1
173.09607	35.7
177.09270	4.2
180.70209	4.0
185.13365	4.7
189.09134	8.8
191.10698	30.5
203.14334	5.8
213.12816	7.4
231.13786	90.5
249.14876	100.0
249.19554	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	249.1484
Annotation	[3aR-(3aalpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
55.05508	2.4
65.03946	3.2
67.05193	2.3
67.05489	11.4
68.14617	1.6
69.03436	3.9
69.07077	2.4
71.05003	2.4
72.74707	1.8
79.05498	5.8
81.07040	16.9
81.07413	1.7
83.04987	8.2
90.92008	2.0
91.05499	7.1
91.71003	3.1
93.07031	9.8
95.04960	100.0
95.08620	7.8
97.02911	5.3
97.06556	3.8
105.07060	8.3
107.08612	8.9
109.06502	9.2
109.10175	3.5
111.08082	5.3
117.07030	3.2
119.08555	13.8
120.32859	1.8
121.06544	3.2
121.10204	6.9
123.08044	2.1
129.07085	3.5
131.08586	5.4
131.09550	1.9
133.10176	5.7
135.08105	4.6
137.09633	2.4
143.08609	5.3
145.10150	3.8
147.08125	7.1
148.07404	1.8
149.09683	7.3
151.07487	2.3
151.11218	5.0
157.10237	3.7
159.11710	5.2
161.09724	3.8
161.13263	3.5
175.14891	4.2
185.13341	5.3
189.12825	2.5
195.11713	3.2
203.14311	8.9
213.12866	8.2
231.13757	9.5
249.14763	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	249.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34180	1.8
68.45990	1.8
70.46226	2.1
85.06538	2.8
117.14541	1.9
141.22955	2.0
200.85492	2.4
249.15704	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
53.03933	2.8
55.05503	14.7
57.07061	3.0
64.77096	1.5
65.03922	2.4
67.05498	25.1
68.97421	1.4
69.07062	19.7
71.04967	4.2
75.56325	1.8
77.03923	2.5
79.05488	64.9
80.12034	1.7
81.07054	29.2
83.04974	3.4
83.08624	6.6
85.02855	1.9
85.06585	1.6
91.05469	35.9
93.07035	100.0
95.04961	12.6
95.08591	21.0
97.06527	2.4
101.05981	2.5
105.04504	1.8
105.07031	28.8
107.08590	42.5
109.06482	3.4
109.10147	6.2
117.07023	4.1
119.08579	20.7
121.10139	37.5
123.08089	2.5
124.68639	1.9
129.07011	3.6
131.08557	6.5
133.10127	19.6
135.08043	2.1
135.11707	33.5
135.12674	3.3
143.08575	4.0
145.10127	5.4
147.11678	26.8
149.09573	3.0
149.13264	8.1
153.09123	1.8
157.00908	1.9
157.10141	5.6
161.09596	2.9
171.11707	6.1
175.11223	3.5
189.12827	4.2
189.16441	5.7
193.12230	4.3
203.14339	3.6
207.13942	3.2
211.41782	1.9
213.16412	5.7
231.17502	6.7
249.18465	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1848
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
51.61187	4.7
55.01842	7.0
55.05499	13.9
59.38133	5.3
66.13166	6.4
67.05489	72.4
69.07081	11.5
70.90468	5.5
74.46805	5.0
79.05478	68.6
80.07804	5.4
81.07056	61.5
81.72821	5.5
82.66284	5.5
83.04940	12.3
83.08611	8.9
91.05460	52.1
93.07041	100.0
95.04945	15.1
95.08591	35.6
97.06528	7.8
99.64156	5.9
105.07028	24.3
105.53310	5.7
107.08585	50.1
109.06475	6.3
109.10138	14.6
111.04431	14.3
111.08028	11.3
111.43288	5.3
112.08720	5.7
114.71519	7.1
117.06939	7.5
119.08581	18.6
121.10143	97.3
129.02483	6.9
131.08553	9.3
133.10114	28.8
135.11646	29.8
137.09618	14.6
147.11723	13.5
149.09688	10.1
151.11234	10.8
167.10788	7.0
180.02226	7.0
185.13249	7.7
213.16414	7.6
231.17447	12.9
249.18422	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
55.05499	26.0
57.07078	4.1
61.49212	2.8
66.46278	2.9
66.79733	3.1
67.05499	24.8
68.03178	3.6
68.34881	2.9
69.03444	4.7
69.07078	16.5
69.66360	2.9
70.84367	3.1
71.04988	5.4
79.05479	62.5
81.03419	3.2
81.07053	31.2
83.04967	3.2
83.08633	13.4
91.05473	38.3
93.07033	100.0
95.05006	11.5
95.08605	26.4
104.05441	3.8
105.07034	23.2
107.08583	50.0
107.73180	3.5
109.06562	4.6
109.10204	9.0
118.85896	4.3
119.08585	22.5
121.10153	36.2
129.07079	5.2
130.91051	3.9
131.08556	5.0
133.10109	19.1
135.11687	26.4
137.04793	3.9
143.08588	5.6
145.10059	4.3
147.11720	14.9
148.52647	3.7
161.09596	4.6
171.11783	4.7
175.11234	3.9
213.16499	5.9
231.17603	4.1
249.18478	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	250.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52212	25.9
81.03392	38.1
86.06030	36.2
90.05574	48.0
97.02881	100.0
114.71010	31.8
118.50559	31.6
121.71275	33.0
138.38936	38.8
153.37160	39.5
250.09372	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	250.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.4
55.61306	0.4
56.96567	0.6
67.05484	0.4
68.35699	0.5
69.07061	4.6
73.06549	1.0
81.07035	0.6
81.70992	0.5
81.71499	0.5
86.09712	0.6
94.04037	1.6
98.98447	1.3
119.03558	2.5
126.84469	0.4
136.06180	100.0
137.04559	1.5
138.90755	0.5
145.51428	0.6
152.05801	0.5
172.89662	0.5
174.13316	0.4
182.42836	0.5
190.45981	0.5
241.72961	0.4
243.15990	0.5
250.12955	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	250.9717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86052	10.2
60.25189	11.1
75.84563	12.7
88.41752	11.6
92.24738	13.3
97.77925	14.3
104.32013	12.6
104.86137	13.0
128.58192	12.8
145.42856	13.6
146.01219	14.4
149.36238	13.0
152.95877	12.9
168.40961	15.0
190.02745	14.1
200.91527	14.1
250.97093	100.0
271.61105	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0912
Annotation	citrinin
Peak:m/z	Relative Intensity
53.47509	5.8
53.48193	5.2
54.54529	4.2
55.01860	25.7
56.02211	5.0
56.39041	6.6
62.99283	5.1
91.05462	9.1
98.98469	31.3
99.93060	6.0
105.07029	14.9
115.05483	7.0
116.06176	7.0
116.78480	6.7
117.07011	7.0
121.06512	7.3
131.04961	11.3
133.06471	17.5
135.04381	6.9
145.06496	9.6
146.07288	18.4
147.04387	25.6
148.05167	7.3
150.07861	8.2
151.07555	26.3
161.05949	18.4
162.06795	8.2
165.09010	9.6
174.06775	17.2
177.09052	15.0
178.42699	6.9
178.58032	5.5
179.06990	10.0
189.05508	24.3
191.07037	77.0
201.05769	6.4
203.07155	7.2
204.07851	31.7
205.08623	19.4
221.08156	7.7
233.08089	100.0
251.09229	21.6
269.93356	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	251.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71822	6.0
57.07071	100.0
59.04979	30.3
65.43510	5.9
68.67365	5.8
70.36483	5.7
79.05460	8.2
81.07051	14.5
83.22393	6.8
91.05463	38.3
91.71677	18.3
93.07047	30.6
93.32832	6.9
95.04967	11.9
96.59219	6.9
98.98462	38.0
105.07030	25.3
107.08623	10.3
113.06043	10.2
113.48208	6.6
117.07025	10.4
119.04955	14.9
119.08585	21.2
121.06522	19.3
121.10131	9.4
131.08594	20.5
133.06467	11.7
133.10112	14.1
135.11676	7.9
136.20778	7.8
145.10129	27.1
147.04375	40.2
147.11703	12.4
159.11707	17.6
164.14395	7.4
165.05414	65.3
169.10155	9.5
172.78403	8.7
173.09618	17.8
177.21616	7.6
187.11118	14.2
233.11708	20.9
251.12727	63.6
251.16484	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	251.164
Annotation	Dihydrohypnophilin
Peak:m/z	Relative Intensity
50.29386	5.1
56.96542	7.5
57.07055	15.6
59.68253	4.9
67.05494	55.4
67.31228	4.9
71.04976	15.0
79.05484	14.8
81.07055	83.0
83.26485	6.1
91.05460	25.0
93.07043	21.7
93.73158	6.0
95.04964	23.8
95.08603	57.7
98.98473	12.3
104.56379	6.9
105.03398	10.2
105.07001	26.1
109.06512	16.4
109.10165	9.4
111.45292	6.4
114.55540	6.3
119.08556	11.3
131.08554	7.1
133.06538	7.0
133.10172	14.5
134.37318	6.4
137.09607	65.5
149.09665	6.6
151.07507	42.0
153.09148	6.9
161.09602	22.0
165.09120	25.5
177.09096	6.5
204.40134	5.9
215.14265	17.8
233.15331	100.0
251.16408	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.164
Annotation	Longipin-2-ene-7beta,9alpha-diol-1-one
Peak:m/z	Relative Intensity
53.03926	1.6
53.54269	1.3
54.62532	1.4
55.01871	1.8
55.04515	1.2
55.05489	3.8
57.06804	1.8
57.07068	34.3
58.88243	1.4
59.04973	2.3
63.14428	1.5
63.79950	1.5
64.66044	1.5
65.03916	2.1
66.81157	1.5
67.05505	10.7
69.07058	5.4
69.50101	1.5
70.86908	1.5
79.05486	9.7
81.07043	17.4
83.04966	4.6
85.02881	2.2
85.06525	17.6
91.05466	40.3
93.07032	11.7
95.04961	14.1
95.08576	4.7
98.98454	3.8
99.04469	1.6
104.50719	1.5
105.07026	7.9
107.04967	5.2
107.08602	4.3
109.06500	6.5
109.10145	3.6
115.05431	2.5
116.06210	2.3
117.07035	10.2
119.04935	2.7
119.08561	3.5
121.06508	2.0
121.10140	2.6
123.08114	2.7
128.06239	2.9
129.07002	12.8
131.04926	7.4
131.08557	36.0
133.06480	5.5
135.08043	2.3
137.08603	1.3
137.09604	31.7
141.07021	1.9
141.09113	2.0
143.08597	2.8
145.10133	3.6
149.09550	2.2
151.11169	6.4
153.06940	2.2
155.08569	8.2
159.08057	7.2
172.08842	3.6
173.09654	5.7
173.89064	1.9
191.14334	2.8
193.32884	1.9
204.82333	1.8
205.16003	1.8
215.14290	100.0
233.15353	50.5
250.67148	1.8
250.89040	2.0
251.16309	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	251.164
Annotation	Dihydrohypnophilin
Peak:m/z	Relative Intensity
52.18861	7.6
55.05510	12.2
56.96584	11.2
57.07072	69.7
59.05006	20.6
67.05513	35.5
68.91288	7.2
69.03413	8.0
69.07053	9.6
71.49387	7.9
72.82594	9.5
73.52197	7.2
75.54745	8.3
79.05498	25.4
80.20470	8.1
81.07046	100.0
85.06538	52.4
91.05490	18.8
93.07020	44.9
95.04992	35.6
95.08611	28.5
97.02939	9.4
98.98492	12.0
105.07049	17.1
107.08616	20.1
109.06476	20.6
116.34837	8.8
117.67763	8.3
123.08111	10.6
125.09641	12.9
125.53796	9.7
131.08578	17.9
137.09619	68.5
148.36693	8.7
149.09683	29.5
150.71890	9.1
151.07640	12.0
151.11246	27.9
184.74306	9.4
191.14348	29.9
193.12354	13.2
205.15858	66.5
214.79071	9.8
215.14391	13.0
229.31311	9.4
233.15312	53.6
243.95982	10.9
251.16426	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.164
Annotation	Furanofukinol
Peak:m/z	Relative Intensity
57.07056	9.0
59.04992	6.0
67.05496	39.1
70.85735	2.7
79.05478	18.4
81.07034	21.6
85.06503	5.7
89.40617	2.6
91.05476	21.6
91.71035	2.9
93.07034	6.3
95.04961	24.0
95.08602	5.8
98.98446	3.6
105.07063	3.3
107.01314	2.7
107.08595	5.0
109.06527	7.1
109.10157	14.7
111.55589	2.6
117.07021	4.2
119.08630	8.2
131.08560	9.5
131.75278	3.0
137.09604	100.0
137.10596	6.2
139.11247	3.6
146.59583	3.3
159.07991	3.2
215.14258	23.5
233.15396	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	251.1641
Annotation	Dihydrohypnophilin
Peak:m/z	Relative Intensity
52.09820	2.4
55.01858	4.1
55.05494	13.5
56.96550	7.3
57.07066	66.8
59.04997	4.6
59.66588	2.7
60.40939	2.8
67.05495	32.2
69.07048	8.4
79.05485	89.6
81.03400	5.8
81.07043	100.0
83.04956	5.6
85.06525	40.0
91.05460	30.7
93.07025	23.5
95.04961	25.6
95.08583	10.1
98.98465	24.7
105.07008	17.5
107.04931	18.2
107.08592	17.1
109.06508	46.4
109.10133	8.3
117.07014	11.1
119.08568	8.9
121.06509	5.9
121.10141	10.3
125.09637	5.7
127.07565	20.9
131.08574	32.0
133.06480	8.1
133.10179	3.9
135.08028	6.7
137.09615	60.9
145.10103	5.5
149.09616	52.7
159.08087	4.0
163.11180	30.0
177.09048	5.3
187.11160	3.3
191.14296	49.1
205.12303	3.5
205.15921	11.7
215.14268	11.7
233.15340	88.8
251.16434	38.9
262.22833	4.0
268.01379	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	251.164
Annotation	Macrophyllic acid E
Peak:m/z	Relative Intensity
54.21448	1.0
55.05493	2.4
57.07066	13.4
67.05488	2.4
69.07047	2.2
71.04988	0.8
75.82435	0.9
77.37521	0.9
79.05476	5.5
80.82292	0.9
81.07047	5.5
83.04961	0.9
83.34938	0.8
85.06538	6.8
91.05475	10.0
93.07026	7.6
95.04970	2.5
95.08598	1.7
98.98456	3.7
105.07021	23.2
107.04946	1.5
107.08598	2.6
109.06511	1.9
117.07029	2.3
119.04922	2.2
119.08562	10.8
121.06510	1.2
121.10151	1.6
127.07648	1.4
129.06923	1.8
131.08546	7.3
133.06473	5.1
133.10107	2.2
137.09602	2.9
143.08582	1.9
145.10081	1.5
147.08038	11.9
149.09615	3.5
156.09299	1.1
161.13239	3.1
163.11212	1.9
171.11736	1.1
175.11230	3.0
187.11113	1.8
189.12729	100.0
205.15924	2.1
215.14392	1.9
233.15350	17.0
251.16412	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	251.1641
Annotation	Atlantonic acid
Peak:m/z	Relative Intensity
53.03929	13.1
56.10225	3.3
57.06797	7.0
57.07066	80.0
59.04988	3.7
65.03912	3.3
67.05487	38.3
69.07056	4.7
71.04988	20.2
73.55272	3.6
79.05486	9.6
81.03399	14.9
81.07043	15.5
85.06535	100.0
91.05467	9.6
93.07046	19.3
95.04943	6.1
95.08565	4.3
97.06494	4.2
98.98453	9.4
105.07014	16.1
107.04948	3.9
107.08594	9.0
109.10168	10.6
113.09632	5.5
117.07008	5.4
119.08585	7.8
121.10133	9.6
121.83235	3.8
127.11176	36.6
130.92424	3.4
131.08548	13.8
137.09627	12.6
145.10037	4.4
149.09618	14.4
151.11215	5.3
161.29634	4.0
177.09131	15.1
187.14764	4.8
191.10646	5.2
205.15887	44.3
215.14253	5.0
233.15344	36.2
251.16380	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	251.1641
Annotation	Dihydrohypnophilin
Peak:m/z	Relative Intensity
55.05495	13.1
57.07064	4.8
59.04982	6.3
60.24499	2.4
67.05487	8.9
69.02983	2.4
69.03389	4.4
69.07045	2.9
73.20643	2.5
73.68124	2.4
79.05472	10.5
79.85488	2.4
81.03411	10.8
81.07035	9.5
83.04968	8.6
83.08607	3.6
85.06537	19.7
90.09814	2.9
91.05468	25.0
93.07035	44.5
95.04955	10.6
95.08585	13.0
97.02853	2.7
97.66359	3.2
98.98454	15.6
103.05480	3.4
105.07023	22.8
107.04996	2.9
107.08583	12.2
109.06462	4.2
109.10157	4.7
111.08121	5.8
117.07009	5.3
119.08602	9.5
121.06494	3.7
121.10122	4.7
123.08106	3.9
129.07011	5.1
130.07820	4.6
131.04974	3.6
131.08560	31.3
133.06467	3.8
133.10086	5.5
135.08029	8.7
145.10136	7.5
147.08035	3.3
147.89481	2.7
149.09624	9.4
153.09149	4.2
159.08078	13.0
159.11688	3.7
163.11179	10.2
173.09621	8.5
175.11176	4.4
177.09184	4.1
191.10657	6.4
193.12299	4.8
193.81833	3.1
197.13202	3.8
205.15912	4.0
215.14334	8.1
222.76413	3.1
223.17088	3.2
233.15337	100.0
248.83734	3.8
251.16394	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	251.1641
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
55.05494	8.9
56.01459	3.7
57.60570	3.6
64.38009	4.1
67.05502	36.6
68.35425	4.2
69.03436	5.2
69.07057	4.6
79.05465	35.6
81.07045	64.8
83.04972	11.4
91.05474	30.9
91.71079	7.0
93.07033	100.0
95.04970	16.3
95.08588	55.3
97.02878	7.5
97.06519	11.3
98.98451	10.4
103.77645	4.7
105.07011	32.1
107.08580	37.1
109.06534	11.1
109.10139	16.5
111.04436	29.2
111.08053	11.7
112.73758	4.7
117.07001	5.9
119.08571	24.4
121.06518	6.5
121.10124	58.0
123.08065	11.7
123.11680	26.7
124.32143	5.2
131.08548	16.4
133.10129	17.8
135.08028	6.5
135.11681	37.8
137.06018	6.4
137.09628	8.1
141.07043	5.4
143.08546	5.6
145.10132	22.9
147.08057	9.2
147.11665	9.4
159.08057	9.4
159.11688	20.5
161.13266	6.6
173.09683	15.7
175.14874	8.6
177.09055	5.2
187.14851	22.0
203.14346	7.7
210.53624	5.2
215.14322	33.1
217.68236	5.5
221.15401	5.4
223.04163	4.7
233.15430	24.7
251.16492	13.8
252.09761	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	251.1641
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
57.06801	4.4
57.07066	66.4
66.06434	2.6
67.05487	13.6
69.03396	3.6
69.07060	4.9
79.05463	4.8
81.07053	26.0
83.04984	3.0
85.02868	4.5
85.06534	54.1
91.05463	23.0
93.07034	100.0
95.01317	6.7
95.04968	10.9
95.08606	16.1
96.97896	3.9
97.02886	12.6
98.98446	13.8
105.07025	71.5
106.00576	3.0
107.08586	8.6
109.10126	3.6
117.07087	4.7
119.08592	9.4
121.06557	3.0
121.10137	7.9
123.11681	4.1
128.85585	3.4
131.08575	47.2
133.06438	4.3
133.10138	8.6
145.10114	7.8
147.08029	4.7
148.61064	3.2
149.09554	5.8
159.08040	4.2
161.09628	5.1
177.09070	22.0
187.14832	9.8
205.15929	18.1
205.35544	3.3
215.14355	6.2
233.15332	43.9
251.16377	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	251.164
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
50.09038	5.9
54.19130	6.4
54.86078	5.8
55.05508	13.1
56.96576	6.6
57.07079	19.1
60.59596	6.4
67.05486	42.5
69.03446	9.8
69.48629	6.7
74.35156	6.3
79.05486	36.3
81.07047	72.4
83.04982	16.9
83.21751	7.0
85.06552	10.5
91.05473	42.5
91.70966	9.1
93.07034	100.0
95.05028	13.9
95.08604	56.8
97.02850	8.7
97.06529	11.8
98.98469	59.7
105.07057	42.4
107.08621	29.2
109.06561	11.1
109.10197	24.9
111.04455	17.7
111.08111	17.8
117.07047	9.9
118.20278	7.2
119.08611	26.3
120.02115	7.8
121.06538	16.1
121.10112	64.6
123.11748	23.3
125.05965	11.6
131.08609	29.6
133.10147	23.1
135.08044	11.2
135.11676	39.9
145.10190	28.2
149.09607	9.9
153.37233	8.0
159.08122	11.8
159.11794	20.9
161.09723	8.5
173.09680	11.0
177.09116	10.7
177.62466	8.9
187.14919	33.3
192.08083	8.7
205.05067	28.7
215.14317	45.7
233.08134	13.6
233.15530	30.5
251.09021	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	251.1639
Annotation	Elongatol G
Peak:m/z	Relative Intensity
55.01865	8.1
55.05499	12.1
57.06802	5.7
57.07069	100.0
57.07347	5.7
59.04998	42.1
67.05502	31.2
69.07055	5.5
71.04990	4.0
71.96541	3.9
79.05486	17.4
81.07033	29.1
82.41150	4.1
83.04966	19.3
83.13165	4.1
85.06538	30.0
91.05471	33.5
93.07036	62.9
95.04966	33.1
95.08599	19.7
98.98462	7.9
99.08108	7.2
103.05446	6.5
105.07027	54.4
107.04960	14.1
107.08582	11.4
109.06530	5.2
109.10168	10.6
111.08059	8.7
112.18930	5.2
117.06972	14.0
119.04975	10.5
119.08569	16.1
121.05708	4.3
121.06503	10.7
121.10172	9.9
123.04430	8.7
123.08054	6.8
123.11643	5.2
129.06950	5.8
131.08582	30.9
133.10141	25.3
135.04387	4.9
135.08028	13.1
135.11664	6.1
139.74478	4.4
142.07782	14.8
147.04417	8.6
147.08095	4.3
149.09651	10.9
157.10158	17.3
159.11693	10.6
165.05406	24.1
167.32384	5.9
175.11188	41.8
177.09097	5.5
187.14917	5.1
193.12222	79.4
205.15985	10.8
221.15390	5.2
233.15430	20.4
250.09711	4.6
251.12791	9.6
251.16440	40.1
273.40347	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	251.164
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
55.05519	41.7
55.73182	9.6
57.07082	13.4
59.04993	10.4
62.84089	10.1
66.40685	8.7
67.05511	53.1
69.03441	20.4
69.07076	29.5
70.86407	11.3
71.04994	25.3
71.46246	10.0
79.05508	56.0
81.03422	46.3
81.07039	87.3
83.04997	44.1
91.05479	68.7
93.07042	100.0
95.04933	67.7
95.08578	66.7
97.06563	16.8
98.98471	65.7
105.07047	73.7
107.08633	51.0
109.06550	36.6
109.10190	22.0
111.08123	21.5
117.07063	33.6
119.08632	38.1
121.06503	13.0
121.08996	12.8
121.10169	39.7
121.97797	12.1
123.08052	12.7
125.09637	13.0
131.08612	47.1
133.10197	29.0
135.08116	28.1
137.05992	21.2
137.09625	24.5
143.08653	14.5
145.10164	41.7
147.11775	14.3
151.07683	18.7
156.66698	12.3
159.08052	22.3
159.11723	26.8
165.09122	15.3
177.09157	27.5
187.14848	27.9
197.13342	14.9
205.16061	15.7
215.14430	35.1
216.74768	13.9
233.15453	56.4
251.16400	83.0
268.68060	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	251.164
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03924	7.4
55.01865	7.0
55.05493	16.4
56.96540	4.6
57.07056	11.5
59.04979	26.1
60.54653	5.0
64.39648	4.9
65.14852	4.8
67.05500	51.9
69.03420	13.4
69.07055	18.0
71.04969	13.2
79.05488	37.4
79.20332	5.9
81.03415	5.3
81.07051	66.0
83.04974	38.5
83.08597	9.3
85.02897	8.7
85.06534	8.5
91.05467	49.9
93.07033	100.0
95.04954	12.1
95.08598	57.8
97.02877	24.0
97.06516	14.0
98.98454	25.3
105.07009	34.6
107.08556	39.2
109.06519	13.5
109.10163	21.8
111.04439	21.3
111.08082	19.8
116.66011	4.8
117.07039	20.7
119.08598	37.5
121.06529	15.9
121.10162	39.0
123.08111	8.7
123.11642	7.7
125.09741	8.0
131.07735	6.1
131.08553	42.5
133.10127	18.9
135.08072	14.2
135.11702	17.9
137.05959	11.2
137.09610	8.2
139.03940	15.5
139.11217	6.7
143.08511	9.1
145.10141	26.7
147.08037	11.5
147.11688	7.5
149.06000	8.2
149.09642	17.7
151.11099	6.4
156.76178	6.5
157.10155	6.4
159.08057	10.0
159.11720	18.5
161.09691	7.1
161.13297	7.4
167.10805	5.3
173.09647	8.1
173.13246	5.9
177.09093	45.1
177.12701	7.1
179.10612	7.2
187.14787	23.8
191.10748	8.1
191.14355	7.1
197.13362	11.0
203.14319	9.3
207.86247	6.2
213.43216	6.8
214.55157	6.8
215.14352	21.9
233.15382	62.3
251.16408	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17926	0.6
55.05509	0.6
56.96557	1.0
57.03429	1.9
67.05501	1.3
70.06583	100.0
72.08128	1.2
73.80722	0.6
79.05526	0.8
81.03409	0.8
83.93406	0.6
84.04472	1.0
86.09705	1.1
93.07026	1.0
95.04974	1.2
98.98463	3.4
101.44896	0.6
103.05614	0.6
108.08121	1.6
113.05988	1.2
116.43883	0.7
119.08604	1.1
126.09149	2.1
129.10239	0.8
134.09654	0.9
136.06203	2.5
136.11191	6.0
147.08063	0.8
164.10724	3.4
165.09100	1.4
182.11757	20.5
233.12869	0.8
233.16490	3.3
251.10284	0.7
251.17441	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.7
57.03431	1.5
61.48608	0.6
65.40326	0.6
67.05490	1.4
68.05033	0.6
70.06584	100.0
72.95763	0.6
86.09695	0.6
91.05478	1.1
93.07043	0.7
94.81957	0.6
95.04977	1.8
98.98454	4.3
99.90141	0.7
108.08144	1.5
113.06017	1.0
119.08594	1.3
126.09148	1.6
134.09651	1.4
136.11208	6.2
137.06013	1.0
164.10712	3.3
165.09166	2.1
182.11751	22.2
233.16589	2.6
248.18556	0.9
251.17567	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92511	2.8
55.05505	9.4
56.96559	3.9
57.54847	2.6
58.38306	2.5
62.11056	2.2
65.03937	3.2
67.05130	4.8
67.05495	100.0
69.07053	11.3
70.49579	2.7
78.30337	2.4
79.05483	17.5
81.07048	98.2
83.08611	8.4
91.05463	9.4
91.63354	2.5
93.07040	17.7
95.08598	69.7
97.06535	3.4
97.10209	3.9
98.98469	13.4
105.07049	6.9
107.08611	11.9
109.10161	31.4
119.08588	7.1
121.10133	18.4
123.11694	5.8
132.54501	3.0
133.10146	14.2
135.11729	13.4
147.11758	3.4
149.13228	4.1
151.11201	5.9
152.34254	3.0
183.15532	2.9
215.18004	8.6
233.19078	3.7
251.19986	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2005
Annotation	Methyl farnesoate
Peak:m/z	Relative Intensity
51.47189	3.2
52.38680	3.1
55.05497	17.4
65.03928	3.7
67.05497	99.6
69.07057	11.6
71.04946	4.1
77.58040	5.0
79.05479	26.6
81.07048	100.0
83.08627	22.8
85.06500	4.2
88.01369	3.7
91.05478	13.3
91.71665	5.5
93.07045	27.1
94.57322	4.2
95.08600	74.3
97.06530	10.6
97.10169	9.8
97.12743	3.5
98.98463	6.2
105.07005	11.6
107.08567	17.4
109.10164	23.4
111.08060	12.6
112.72922	4.4
119.08581	6.2
121.10135	34.4
123.11703	6.7
133.10147	15.2
134.31482	4.5
135.11688	16.7
137.13249	4.8
145.10118	5.5
167.23264	4.2
207.14047	5.0
215.17999	13.8
233.18950	10.2
251.19980	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2005
Annotation	Methyl farnesoate
Peak:m/z	Relative Intensity
53.03950	1.3
55.05500	7.2
65.03923	2.6
67.05498	100.0
69.07056	5.7
71.04977	1.7
79.05472	8.6
81.07049	90.4
83.04966	2.0
83.08613	3.8
85.06561	1.8
90.13770	1.5
91.05466	5.9
91.71636	3.5
93.07040	16.4
95.08600	59.3
97.06509	2.3
98.98460	4.6
99.08076	1.7
103.48755	1.6
105.07021	3.2
107.08596	8.3
109.10155	38.4
119.08598	3.8
121.10132	10.3
123.11703	24.0
131.08557	2.8
133.10104	3.4
135.08067	2.0
135.11702	9.7
137.13268	6.8
145.10146	1.9
149.09636	2.4
149.13326	3.8
159.11737	2.8
167.10701	2.2
173.13232	2.9
177.12740	4.4
181.12233	3.0
195.13899	3.0
209.15292	1.7
215.17966	4.5
233.19008	5.2
234.19186	1.6
241.17094	1.7
251.20038	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2005
Annotation	roughanic acid
Peak:m/z	Relative Intensity
51.50022	1.7
55.05497	13.1
65.03927	2.3
67.05497	100.0
69.07057	9.3
79.05093	3.0
79.05476	14.0
81.07047	91.3
82.95798	2.1
83.04949	3.1
83.08604	14.9
84.75478	1.9
86.83743	2.4
91.05479	10.1
93.07040	23.1
95.04944	3.3
95.08599	73.3
97.06515	3.7
97.10159	4.6
97.13696	3.0
105.07037	6.2
107.08585	16.6
109.10149	34.8
111.08110	3.5
117.98595	2.4
118.14861	2.4
119.08588	5.9
121.10138	13.7
123.11717	10.7
127.03156	2.5
131.08588	4.4
133.10153	14.8
135.11650	13.2
137.09604	4.3
145.10136	3.8
147.11784	3.2
149.13292	5.7
151.11172	4.2
163.11183	2.8
164.14394	2.3
170.34012	2.4
201.13435	2.5
215.17973	10.4
225.58849	2.5
233.18918	6.1
239.55867	2.4
251.20074	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2004
Annotation	roughanic acid
Peak:m/z	Relative Intensity
50.22592	3.4
55.05487	8.9
56.78593	3.7
67.05497	100.0
67.42606	3.6
69.07051	13.7
79.05478	17.9
81.07051	87.7
83.08598	14.4
88.85014	4.4
91.05489	13.0
93.06489	3.8
93.07023	29.0
95.08601	72.2
96.56716	4.6
97.06503	7.4
97.10186	9.1
98.98464	22.1
103.73782	5.2
105.07035	6.8
107.08591	14.2
109.10146	25.2
111.08054	6.1
119.08569	10.8
121.10139	20.8
123.11738	10.3
133.10155	10.8
135.11710	12.7
149.13348	5.9
151.11171	8.3
157.63530	5.2
159.11725	5.2
215.18025	10.4
233.19002	6.1
251.20050	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38830	1.0
53.92738	0.9
55.05499	1.9
56.05023	1.3
59.15075	1.1
60.04511	2.7
60.40538	1.2
64.01128	1.1
64.46523	1.2
65.05863	1.3
67.05496	2.1
68.70177	1.1
69.07056	1.3
70.06573	3.9
71.04977	5.2
72.08146	3.8
74.06075	1.9
79.05473	1.7
81.13937	1.2
84.04493	4.5
84.08142	8.5
85.18127	1.2
86.09708	7.3
88.03979	2.1
91.05462	1.4
95.04945	1.6
106.06557	3.5
106.29441	1.3
108.08146	1.2
113.05998	3.3
120.08127	2.1
126.09145	3.3
129.10225	3.9
131.07040	1.9
131.13039	1.4
134.06012	47.9
136.06346	1.4
136.07555	3.3
147.11411	1.6
162.02377	1.3
162.05489	27.5
162.09135	1.7
164.95114	1.3
178.04990	100.0
188.07036	2.6
204.06593	5.7
206.08212	1.8
234.07674	6.8
248.26286	1.6
252.08650	41.6
252.12355	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	252.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02419	1.1
56.96552	4.6
70.06577	1.6
70.72337	1.2
74.91304	1.3
79.05489	21.2
81.07052	1.6
82.97836	1.6
84.08141	2.2
86.02409	1.7
86.09689	3.3
87.00865	1.6
91.05470	1.3
93.07053	1.4
95.04944	2.3
98.98479	3.8
103.05461	10.0
103.24808	1.4
104.03458	58.1
105.07010	1.7
106.06551	35.2
107.04946	100.0
118.06580	2.7
118.34026	1.7
119.08482	1.6
120.08089	25.6
120.08865	2.8
131.04927	24.7
132.04453	3.1
136.06177	40.4
146.05972	2.5
148.07565	3.4
149.06018	6.5
185.88921	1.6
188.07080	3.3
192.06525	23.6
206.08162	13.7
234.07599	2.9
234.13506	3.8
252.14432	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	252.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	0.6
60.10598	0.6
60.81892	0.5
65.44158	0.5
74.72722	0.6
77.03899	0.8
79.05482	21.7
79.50123	0.7
81.07027	1.0
81.69945	0.7
86.02423	1.6
87.00804	1.8
91.05431	0.9
95.04960	2.1
97.79502	0.8
103.05463	5.5
104.03457	55.0
105.07038	1.1
106.06544	33.9
107.04947	100.0
131.04922	25.0
132.04437	2.2
136.06192	13.4
148.07634	1.2
149.05975	7.0
149.63281	0.8
192.06531	23.0
234.07631	2.5
234.13477	1.2
252.14467	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	252.1091
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
50.47226	0.5
53.45638	0.4
53.74001	0.4
56.96531	0.5
57.03431	0.6
60.04513	1.0
69.03413	0.7
70.06577	4.8
70.86963	0.5
71.04974	0.8
72.08132	1.1
73.02889	1.7
81.03399	0.9
84.04485	1.9
84.08114	1.8
86.06059	0.6
94.04064	0.8
98.98453	1.2
99.04430	1.8
117.05466	2.5
119.03540	1.0
120.08057	0.8
123.04417	0.5
136.06180	100.0
137.04539	1.0
150.09090	0.5
151.74504	0.7
166.13809	0.6
179.11826	0.8
249.22644	0.6
252.08563	1.5
252.10707	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1228
Annotation	dimethachlor OXA
Peak:m/z	Relative Intensity
55.05512	3.5
56.05003	3.5
56.16394	3.2
65.03919	7.1
67.05511	3.6
74.02442	3.7
79.05501	9.6
80.05007	3.6
91.05463	25.7
91.71619	4.6
92.04995	29.1
93.07030	6.9
94.06553	9.3
95.04955	4.9
98.98479	4.5
104.04987	6.6
105.07035	12.1
106.06564	8.8
107.04951	9.6
113.73761	3.8
114.05348	3.3
117.05734	4.7
117.07022	14.7
118.06522	46.7
119.07339	9.3
119.08574	22.0
120.08092	35.7
121.10126	9.5
128.06207	5.3
131.07309	5.1
132.08081	15.3
133.08881	7.6
134.09634	25.4
136.11230	15.7
136.62170	3.4
143.08525	6.9
145.10197	6.0
146.06071	9.0
147.06712	4.0
160.07570	20.9
160.11240	43.2
162.12762	95.5
164.07033	8.8
165.07770	4.1
170.09749	4.9
173.75623	3.8
178.08690	4.8
188.10692	38.3
206.11748	36.5
208.13293	62.5
220.24129	4.1
234.11290	5.4
252.12263	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1382
Annotation	rheadan
Peak:m/z	Relative Intensity
52.55596	0.6
56.96549	3.1
58.07392	0.7
60.45891	0.7
65.03929	1.6
67.05482	1.3
69.76807	0.7
79.05482	0.8
81.07043	1.1
91.05466	100.0
91.71634	1.0
92.05806	0.8
98.98446	2.2
104.04960	1.1
137.09579	1.0
144.08005	1.5
160.07561	3.7
177.09082	0.8
181.10075	2.1
215.21886	0.9
252.13805	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	252.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
56.96551	0.5
64.04431	0.5
70.06577	1.6
73.75621	0.5
74.02441	0.5
79.05472	0.6
80.59655	0.6
81.07047	4.4
84.08150	1.0
86.09686	2.1
88.04008	0.6
91.05479	1.5
94.02148	0.5
94.04023	1.5
98.98415	0.6
119.03526	2.5
121.06473	0.6
134.04478	1.2
136.06180	100.0
137.04568	1.9
149.46297	0.5
154.16228	0.5
163.07416	0.8
177.09009	1.3
234.13443	12.0
252.14523	41.9
252.53246	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1432
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
53.92366	3.2
55.01867	26.9
55.05496	8.5
56.96546	3.6
57.03443	4.0
57.07068	3.8
64.72103	3.9
66.24756	3.6
67.05202	4.3
67.05495	39.0
67.07932	3.8
69.03421	9.3
69.07044	10.6
71.04955	7.9
79.05479	18.4
80.61430	3.6
81.03417	7.0
81.07040	28.0
83.04978	14.2
85.02895	26.2
85.06549	5.7
87.04487	4.3
90.90832	4.0
91.05472	30.3
93.07034	47.9
95.04951	12.7
95.08597	100.0
95.09156	7.8
97.06483	24.0
98.98472	22.2
99.04430	13.7
105.06995	20.7
107.04955	5.9
107.08599	20.5
109.06520	8.6
109.10160	26.5
117.07003	10.9
119.08568	49.0
120.08094	10.9
121.06495	7.6
123.04391	5.4
125.06073	5.3
129.06969	5.9
133.06505	5.5
133.10132	10.9
135.08076	6.3
135.11678	5.6
136.06190	18.6
137.06630	8.6
137.09602	16.3
143.08563	4.8
145.10049	5.3
147.08075	5.4
147.11642	5.1
149.06001	5.0
149.09679	7.1
149.85786	6.3
157.10153	8.7
161.06010	4.9
171.11687	10.7
175.11148	12.4
189.12810	9.6
198.10590	4.6
199.11217	7.3
203.54738	4.1
207.13765	5.3
217.12268	20.5
235.13373	20.0
252.14691	5.3
253.14577	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	253.1434
Annotation	Herbasolide
Peak:m/z	Relative Intensity
53.37301	1.6
55.01868	3.9
55.05511	6.5
57.03416	2.3
57.07067	93.3
63.90847	2.2
67.05486	10.1
69.07069	5.5
71.04990	2.2
71.92622	2.2
75.08041	2.0
79.05508	8.6
81.03401	2.4
81.07037	11.6
83.04983	6.0
83.08635	3.7
84.04525	2.5
85.06535	59.5
91.05466	24.7
93.07037	12.5
95.04964	3.5
95.08604	11.5
97.06542	3.4
98.98450	11.1
100.11237	10.0
101.96983	2.1
102.31208	1.9
103.38335	2.0
105.07026	44.9
107.04987	3.7
107.08626	8.6
108.88761	1.9
109.06519	3.6
109.10179	3.0
111.08096	2.0
119.08611	8.7
121.06532	2.3
121.10150	4.0
123.04481	2.3
123.08083	17.2
123.11659	2.4
125.09715	2.2
129.07013	2.7
131.08595	6.0
133.06485	9.6
133.10129	10.1
135.08115	2.1
135.11661	2.9
143.08510	2.5
144.62520	2.4
147.08084	5.0
151.07516	9.9
154.12344	2.6
156.09236	2.0
161.09610	3.3
161.13310	4.6
171.11667	2.8
171.14995	7.3
175.07620	2.7
189.12729	18.8
200.82346	2.2
207.13783	100.0
217.12338	5.6
235.13269	68.3
253.14249	10.8
253.19196	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	253.1433
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
52.77632	2.7
55.01864	4.3
55.05504	4.6
56.07068	2.3
57.07067	93.5
67.05515	12.6
69.07070	6.1
71.25114	3.2
77.43070	2.8
79.05488	6.8
81.07066	12.2
83.05010	7.7
83.08612	3.2
85.06537	51.2
85.07007	4.3
91.05464	19.3
93.07069	13.4
95.04977	6.7
95.08585	19.5
103.00140	2.8
105.07023	49.9
105.07670	3.5
107.04966	4.1
107.08574	7.8
109.06580	4.0
119.08633	10.9
121.06510	3.6
123.08060	18.3
129.06976	4.1
131.63176	3.2
133.06520	9.7
133.10182	10.0
135.08128	4.7
143.08649	3.4
147.08142	5.5
151.07603	10.6
161.09639	6.1
161.13347	3.4
171.15039	3.4
189.12753	22.1
193.08664	4.4
193.12289	3.6
207.13777	100.0
216.47290	3.6
217.12402	4.4
235.13269	67.7
235.17007	6.0
253.14316	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	253.1432
Annotation	Frequentin
Peak:m/z	Relative Intensity
51.43405	2.6
53.24272	2.4
55.01864	21.9
55.05506	6.3
56.96547	6.0
57.03425	3.9
66.11385	2.7
67.05496	37.4
69.03411	5.7
69.07055	7.5
71.04967	8.9
76.00469	3.1
76.95094	3.1
79.05466	13.3
81.07036	11.3
83.04948	5.2
83.08587	3.8
85.02906	26.5
87.04469	6.5
91.05492	24.8
93.07030	43.0
95.04943	8.3
95.08592	100.0
97.06539	20.6
98.97529	7.0
98.98443	16.1
99.04458	16.5
105.07038	12.7
107.04937	4.3
107.08587	20.0
109.06499	5.7
109.10142	39.2
111.04432	3.4
115.03892	3.9
115.05382	4.0
117.07025	5.5
119.08553	30.4
121.10098	5.0
127.03910	4.2
128.29019	4.2
129.06972	5.3
131.08559	5.9
132.31546	3.3
133.06477	4.6
133.10135	9.5
135.08057	10.8
137.09637	15.5
139.07547	3.8
142.07724	3.5
145.10240	4.2
155.08678	3.9
157.10104	17.3
158.01189	3.1
171.11694	5.7
173.09644	3.9
175.11194	9.5
189.12807	6.8
199.11104	6.6
212.48372	3.5
217.12219	20.9
223.03809	3.2
235.13248	9.7
253.14391	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	253.1435
Annotation	Frequentin
Peak:m/z	Relative Intensity
51.29646	5.3
55.01863	13.5
55.05502	41.4
56.96548	9.2
57.03427	20.4
57.07059	15.7
67.05505	42.1
69.07050	14.0
71.04986	9.5
79.05487	26.1
81.03397	7.7
81.07050	29.2
83.04988	14.8
83.08601	31.1
85.02906	100.0
85.06532	11.2
91.05474	35.4
93.07043	44.7
95.04963	15.5
95.08616	47.9
97.06513	20.4
98.98460	39.1
99.04416	17.1
105.07019	34.2
107.04987	8.6
107.08578	29.1
109.10163	37.8
111.08076	15.3
113.44818	6.9
117.07024	15.2
117.93025	6.6
119.08567	26.8
121.10154	10.5
129.06921	10.6
129.76118	6.1
131.08507	8.1
133.10138	15.7
135.08112	9.8
137.09673	16.2
142.07721	9.5
147.11708	14.1
157.10109	17.8
161.05948	7.6
161.13397	8.8
171.11699	12.2
175.11180	17.0
189.12860	8.3
207.13860	10.8
217.12317	20.0
219.27216	8.2
235.13312	22.8
235.17018	10.8
247.22633	8.4
253.14270	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	253.1657
Annotation	Hexazinone
Peak:m/z	Relative Intensity
57.07051	6.3
58.06601	7.4
60.04520	17.7
70.06609	5.7
77.47873	5.4
81.03408	7.3
81.04532	95.5
81.07072	5.4
86.09737	12.5
88.47459	6.4
98.98457	37.7
100.15249	6.6
104.10754	10.3
110.07175	15.5
120.08145	22.6
122.06407	5.8
122.07130	37.1
124.08712	66.5
133.54228	5.5
143.54327	6.8
151.47818	7.0
166.08675	16.8
205.02695	6.5
219.05116	8.6
225.17073	55.2
240.47604	6.0
253.16582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1796
Annotation	Hebelophyllene B
Peak:m/z	Relative Intensity
51.16180	2.7
52.09752	2.7
55.01873	3.1
55.05494	7.3
55.53892	2.9
56.96576	2.9
57.06802	5.5
57.07068	93.9
59.04977	5.5
65.53313	3.0
67.05496	48.4
69.03400	4.1
69.07061	9.9
75.05453	3.5
79.05483	17.8
81.03401	3.5
81.07050	21.9
83.04961	4.5
83.08591	5.2
85.06537	72.7
91.05473	41.4
92.38567	3.6
93.07034	73.7
94.44776	3.3
95.04964	30.3
95.08591	16.7
97.79541	3.5
98.98457	13.9
105.07019	17.2
107.08579	14.5
109.10152	10.7
111.08080	12.4
113.09538	4.0
117.07038	10.0
119.08582	9.5
121.06449	4.7
121.10165	5.4
123.11620	4.3
125.09640	14.3
129.06966	7.0
131.08577	8.7
133.06482	6.8
133.10124	25.1
135.08057	13.2
137.09630	38.2
143.08565	8.2
151.11165	11.0
157.10020	4.8
161.09660	4.8
173.40237	4.5
176.23947	4.0
215.14037	5.2
217.15901	49.9
235.16924	100.0
253.17938	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	253.1798
Annotation	Hebelophyllene B
Peak:m/z	Relative Intensity
53.00301	4.9
53.18946	4.5
56.75967	4.8
56.96556	10.8
57.07068	85.4
59.06330	4.2
60.61443	4.8
67.05490	18.2
69.07052	15.0
71.05000	6.6
73.06547	9.1
75.11032	4.9
79.05497	9.3
81.07041	19.0
83.08600	6.7
85.06539	56.2
91.05470	40.1
92.22743	5.2
93.07039	16.9
94.63416	5.1
95.04961	26.0
95.08612	19.8
97.06543	10.5
98.98460	18.6
105.03411	12.7
105.07026	20.2
107.08598	18.3
109.10178	8.3
112.94302	5.4
121.31386	5.1
125.15730	5.7
128.81914	6.2
133.10085	29.8
135.11668	6.0
137.09616	53.2
151.47812	5.4
163.07574	5.4
167.41928	5.5
207.17528	9.5
217.15924	19.3
235.16908	100.0
250.61842	6.6
253.17909	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	253.1797
Annotation	Cheimonophyllon C
Peak:m/z	Relative Intensity
55.05497	8.1
55.25769	2.1
56.96552	3.4
57.06804	4.6
57.07068	80.1
59.04984	2.9
64.68402	2.4
67.05498	20.7
67.63928	2.2
69.07053	11.7
79.05463	13.7
81.03379	3.7
81.03815	2.9
81.07050	13.2
83.04949	3.3
83.08611	18.7
85.06533	56.4
91.05469	11.2
93.07035	24.9
95.04959	21.9
95.08589	17.9
97.06520	16.7
98.98463	10.7
105.07038	14.9
107.08578	12.0
109.06522	2.8
109.10152	12.2
111.08080	7.6
111.16220	2.4
113.24894	2.5
119.08583	6.9
122.44566	2.8
123.08079	8.9
125.09613	6.2
131.08516	2.8
133.10136	15.6
135.08118	4.1
137.09621	61.8
137.38052	2.9
147.25905	2.9
151.11195	14.6
152.70416	2.6
153.09097	3.1
156.57031	3.1
163.11247	5.3
177.12816	5.1
207.17467	11.8
217.15872	13.0
235.16905	100.0
253.08667	3.3
253.18037	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	253.1797
Annotation	[4aR-(4aalpha,5alpha,6beta,8abeta)]-4a,5,6,7,8,8a-Hexahydro-5-hydroxy-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-2(1H)-naphthalenone
Peak:m/z	Relative Intensity
53.06582	1.8
55.01873	2.1
55.05494	8.6
55.13210	1.7
55.74907	1.6
57.07069	60.2
59.04991	3.9
61.88470	1.6
67.05495	24.8
69.07047	8.5
70.03834	1.6
79.05495	17.8
81.07051	14.6
83.05001	2.2
83.08617	20.1
85.06525	34.1
91.05473	15.7
91.70953	1.7
93.07027	28.8
95.04962	29.8
95.08595	15.1
97.06525	21.7
98.98441	7.5
105.07049	9.1
107.08595	10.7
109.06529	3.9
109.10159	13.6
113.10407	1.8
117.07085	2.0
118.94704	1.8
119.08578	8.1
121.06519	2.6
123.08067	5.9
125.09623	6.3
131.08549	2.2
133.06505	2.2
133.10088	13.9
135.08051	3.4
137.09608	100.0
141.13376	1.9
151.11203	11.3
165.12776	2.8
169.44362	2.2
177.12767	3.4
198.73599	2.1
207.17392	16.9
217.15926	15.6
235.16910	94.1
253.17949	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	253.1796
Annotation	13-Hydroxycapsidiol
Peak:m/z	Relative Intensity
53.00275	3.3
55.05490	7.8
56.96552	6.1
57.03409	4.5
57.07067	4.3
59.04994	64.6
67.05495	23.9
69.07049	8.1
71.04977	5.0
77.71449	2.5
79.05493	4.6
81.07038	60.4
83.04952	8.0
83.08605	4.9
85.06526	6.9
88.45002	2.9
91.05482	13.9
93.07033	23.9
95.04958	81.7
95.08595	73.0
97.06512	4.7
98.98460	21.0
105.07043	12.0
107.08565	10.7
109.06523	10.9
117.06960	4.9
119.08575	30.5
121.06499	24.3
127.11190	4.5
131.08559	17.5
133.10124	15.6
135.04404	8.0
135.08063	13.2
135.11693	10.5
149.09619	13.0
150.11310	3.2
153.09120	3.5
159.11684	14.4
161.09605	6.7
177.12730	100.0
192.84665	3.4
195.13770	19.4
217.15875	20.6
235.16910	77.6
239.42969	3.7
249.28664	3.9
253.08504	4.2
274.16299	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	253.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66463	0.9
51.78159	1.0
51.83419	0.8
57.07068	50.8
57.73831	0.9
59.05072	0.9
64.23397	1.0
66.31313	1.0
67.05505	2.2
69.03433	3.9
71.04995	1.5
81.03405	6.5
91.05507	1.1
91.71671	1.4
93.07063	1.6
95.04959	13.9
95.08602	2.2
97.02885	36.1
98.98489	2.3
99.04449	7.9
105.07071	1.2
107.08601	2.6
109.10167	3.4
110.85258	1.1
113.06003	3.9
117.29713	1.1
121.00909	1.2
123.04417	18.1
137.09654	4.4
141.05452	51.7
143.40633	1.2
151.11195	10.9
179.10648	22.5
179.12149	1.3
184.18030	1.3
197.11711	100.0
244.53757	1.3
253.17932	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	253.1796
Annotation	Punctaporonin B
Peak:m/z	Relative Intensity
54.35595	3.6
55.01847	4.6
57.06808	5.8
57.07069	100.0
58.85791	4.4
65.42571	4.1
67.05499	39.3
69.03468	5.5
69.07041	7.6
73.13644	4.2
79.05487	18.8
81.07039	22.3
85.06533	70.4
86.47690	4.6
91.05482	50.5
93.07030	71.1
95.04976	29.9
95.08596	17.8
98.98454	19.4
105.07007	23.9
107.08591	11.4
109.10177	6.5
111.08057	11.2
114.35156	5.6
117.07018	13.7
119.08595	12.4
121.10134	5.7
125.09616	11.6
131.08537	10.9
133.10176	26.8
135.08043	17.5
137.09621	46.5
143.08485	9.7
151.11147	8.4
157.10126	8.9
159.55008	5.0
163.11180	5.9
175.15012	5.8
175.40245	5.7
217.15848	56.9
235.16904	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1797
Annotation	Illudiolone
Peak:m/z	Relative Intensity
51.84907	4.6
55.01869	8.2
55.05497	19.6
57.07071	4.6
67.05492	48.9
68.03204	4.8
68.31674	5.3
69.03402	4.9
69.07054	14.1
70.65002	5.1
72.89537	5.7
79.05480	28.1
79.21381	5.4
81.07040	69.5
83.04955	7.8
83.08606	21.8
85.06538	10.6
91.05001	5.3
91.05458	34.6
93.07033	100.0
95.04967	14.2
95.08600	64.9
98.98435	10.3
100.11259	9.5
105.07018	56.1
107.08578	43.1
109.06532	8.8
109.10139	17.3
111.08079	26.2
117.07031	8.1
119.08597	28.5
121.10161	23.0
125.09618	10.6
131.08571	8.3
131.76567	5.3
133.10161	32.8
135.11635	11.9
147.11700	13.1
157.10127	11.0
159.11714	10.3
161.09717	7.6
161.13268	42.8
164.54610	6.3
171.14915	8.4
183.07591	6.4
189.16405	12.5
191.14267	7.7
199.14708	7.4
205.15845	10.9
217.15852	27.8
232.80025	6.4
235.16881	41.3
253.17935	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	253.1797
Annotation	13-Hydroxycapsidiol
Peak:m/z	Relative Intensity
55.05505	15.1
56.96552	4.2
57.07066	4.1
59.04967	3.2
62.93645	2.5
67.05490	5.7
67.22761	2.2
69.03408	8.5
69.07052	9.2
73.15010	2.2
75.77481	2.5
79.05450	6.9
79.80486	2.5
81.07038	13.6
83.04493	6.4
83.04969	100.0
85.06517	7.6
91.05478	17.4
91.70997	3.3
93.07043	18.5
95.04956	7.7
95.08602	10.9
98.98466	10.9
105.07013	37.8
107.08583	23.9
109.06497	5.0
109.10172	3.7
109.95145	2.5
111.08064	4.1
117.07037	4.6
119.08566	38.9
121.05362	3.1
121.10166	5.7
125.09645	4.4
126.44487	3.5
128.06229	3.2
131.08536	4.7
133.10110	30.7
135.11682	12.0
142.07704	4.8
143.08569	9.8
145.10062	4.6
147.08003	4.0
147.11653	14.9
149.09607	45.5
157.10107	19.0
159.11642	7.4
161.09599	13.8
161.10852	3.1
161.13243	11.2
174.36383	3.5
175.11195	4.3
189.16435	9.9
194.18498	4.1
199.14828	18.7
217.15840	54.3
235.16928	15.7
253.17886	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	253.1797
Annotation	(+)-Tremetriol
Peak:m/z	Relative Intensity
55.01865	5.0
55.05500	15.6
56.96558	5.2
56.97395	3.7
57.06799	6.9
57.07070	84.7
59.04985	7.5
61.62646	5.2
67.05494	24.1
69.07047	13.0
70.74146	3.9
75.41217	4.8
79.05483	12.6
81.07050	35.2
85.06525	14.7
91.05462	30.7
93.07039	56.2
95.04969	11.0
95.08604	49.7
95.71461	4.8
98.98456	18.9
105.07020	33.4
107.08580	22.6
109.06512	5.7
109.10115	4.9
111.08073	12.0
119.08582	19.3
121.10129	12.8
123.08050	9.3
131.08569	10.5
132.57153	5.6
133.10133	55.9
135.08075	9.0
135.11717	6.2
147.11758	7.9
151.11215	14.3
153.09151	11.6
157.10052	6.5
161.09628	16.4
165.09091	6.2
179.10692	38.8
189.16405	23.4
217.15852	17.8
235.16924	100.0
253.17981	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	253.1797
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
55.01860	22.1
55.05497	20.1
55.19062	8.1
57.07060	14.4
59.52359	8.1
59.88465	8.6
60.04487	8.0
67.05504	91.0
69.07053	78.4
71.04979	40.2
79.05477	27.2
81.07053	100.0
83.04942	21.5
83.08640	11.1
85.06536	12.3
87.04443	20.1
91.05496	49.7
93.07053	56.1
95.01316	30.9
95.04966	24.4
95.08601	47.2
97.02944	12.1
97.06535	14.5
98.98459	19.5
99.04467	27.7
101.06001	14.2
105.07010	62.9
107.08585	33.1
109.06525	22.9
109.10162	25.0
111.04422	24.6
115.03936	42.7
119.08598	52.6
123.04469	14.1
123.11730	12.8
129.05508	14.7
133.10152	37.5
135.11691	12.9
143.08521	12.8
147.11670	12.2
151.07526	11.4
153.49524	11.7
159.11644	11.7
161.13293	31.8
175.14839	31.0
179.14346	29.2
193.15848	29.0
203.14371	20.5
221.15344	64.7
239.58607	11.5
253.17699	17.8
253.19844	19.5
267.49200	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	9.3
67.05499	100.0
69.07059	15.9
71.04993	6.7
79.05500	28.7
81.06602	5.0
81.07053	89.0
83.08593	16.9
85.06538	5.6
91.05474	9.6
93.07039	48.5
95.08600	97.3
96.93570	3.2
97.06525	4.8
97.10166	5.5
99.08086	7.7
105.08348	3.0
107.08595	17.0
108.82805	3.2
109.10161	24.6
119.08568	4.5
121.10155	43.4
123.11725	8.9
133.10115	5.1
135.11696	48.8
139.11244	3.7
149.13223	7.8
171.52293	3.4
217.19542	7.8
235.20598	9.9
253.21556	30.2
254.00635	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	253.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	14.1
59.90004	2.5
67.05498	100.0
69.07055	19.6
71.04970	7.7
73.78264	2.7
78.89571	2.6
79.05476	28.9
81.07045	84.2
83.04922	2.9
83.08603	19.4
85.06537	5.9
91.05448	5.3
93.07040	36.6
95.04972	3.8
95.08601	99.7
97.06532	7.0
97.10179	7.9
99.08111	9.2
107.08582	24.9
109.10149	21.4
116.65047	3.0
121.10136	42.0
135.11691	57.9
149.13235	9.2
149.66814	3.1
150.09779	3.1
160.47244	3.1
189.16559	3.3
190.30296	3.1
217.19559	6.3
235.20583	8.7
253.21635	29.1
259.36386	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	253.2161
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
55.05254	4.8
55.05504	66.8
56.23144	3.7
57.07057	15.1
66.74031	3.2
67.05498	63.1
69.07059	100.0
71.04977	8.9
71.06480	3.8
71.08617	5.3
71.30705	4.1
72.11130	3.9
73.74555	4.0
79.05469	23.0
81.07048	86.0
83.08607	60.5
85.01790	4.0
85.06541	9.4
91.05463	22.9
91.70986	6.9
93.07050	30.9
95.08598	81.2
97.06538	10.7
97.10165	48.6
99.08131	3.8
105.07023	24.1
107.08584	17.1
109.10144	31.2
111.08094	4.1
111.11707	18.9
119.08583	23.7
121.10135	29.8
123.08073	5.2
123.11709	12.4
125.09621	7.7
125.13228	6.4
128.56686	4.7
133.10124	28.9
135.11671	22.6
137.09647	7.6
137.13278	7.8
139.11156	5.6
140.38335	4.5
147.11711	19.2
149.13234	5.7
151.11183	9.4
161.13269	12.4
165.12753	6.4
175.14842	8.5
193.19572	7.6
217.19508	28.4
226.23827	4.7
235.20589	28.7
253.21646	19.8
259.32642	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	253.2162
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
55.05493	19.0
57.07061	7.4
63.82322	6.3
67.05498	96.5
69.07056	20.1
79.05486	20.6
81.07055	100.0
83.08593	13.7
85.06529	10.2
91.05503	7.6
93.07050	40.4
95.08599	82.8
95.64366	6.4
98.98459	21.4
99.08077	11.2
107.08597	18.6
109.10145	32.3
121.10130	36.1
135.11684	54.2
149.13252	8.6
234.87347	8.0
253.21625	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	253.2161
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
53.53578	7.3
55.05532	15.5
56.96568	10.1
62.59682	7.9
67.05497	100.0
67.05799	10.9
69.05669	8.2
69.07072	20.4
71.91157	7.0
74.47839	7.0
76.55395	7.7
79.05506	20.2
81.07050	97.0
83.08633	14.4
83.46511	9.7
91.05481	9.8
93.07068	40.9
95.08594	95.0
98.98490	39.5
107.08594	26.0
108.67964	9.4
109.10195	31.2
121.10159	47.4
124.32453	9.2
135.11685	52.1
145.36038	8.8
149.13330	12.5
192.11189	10.0
224.53717	10.1
235.20508	10.2
253.21758	28.5
255.25584	10.3
264.78345	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	253.2161
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
53.03944	4.4
55.05256	4.8
55.05506	62.7
57.07078	20.7
57.07314	3.0
61.33012	2.7
67.05492	56.8
69.07060	100.0
71.04968	6.1
71.08640	3.9
79.05486	21.1
81.07053	88.3
83.04981	6.5
83.08608	56.4
85.06530	8.1
85.10180	4.3
90.23689	3.3
91.05482	27.7
93.07045	33.7
95.04949	3.5
95.08604	76.6
95.72462	3.4
97.06533	10.7
97.10163	50.2
98.98475	8.6
99.08074	5.5
105.07019	18.7
107.08585	18.0
108.92532	3.6
109.06548	3.5
109.10151	29.3
111.08076	3.7
111.11736	17.7
119.08575	21.3
120.05377	3.5
121.10155	25.4
123.08087	4.8
123.11716	11.9
133.10094	20.9
135.11690	26.7
137.09627	6.7
137.13289	8.9
138.88008	4.1
139.11188	7.0
147.11717	13.8
149.13188	4.3
151.11240	7.6
151.14838	6.1
153.12723	7.7
161.13284	9.2
165.12756	9.5
179.14386	7.5
193.19545	6.7
217.19487	30.3
232.16261	3.5
235.20570	23.7
253.21741	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.216
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
52.40010	4.2
53.00285	4.5
55.05504	61.0
56.24866	4.9
56.71370	4.4
57.07055	16.7
62.00776	4.7
67.05492	59.9
69.07058	100.0
76.29140	5.9
79.05486	23.5
81.07045	74.1
83.04985	5.8
83.08609	58.8
85.06520	11.3
89.65611	5.5
91.05466	17.2
93.07030	27.7
95.08604	65.6
97.06552	7.9
97.10155	46.9
105.07041	14.8
107.08593	23.1
109.10159	25.3
111.08099	9.3
111.11714	23.6
114.52094	6.1
119.08604	26.2
119.19352	5.4
121.10133	21.7
123.08094	6.3
123.11700	14.8
131.57027	8.3
133.10121	18.0
133.72296	5.7
134.20598	6.4
135.11694	20.7
135.40158	5.2
137.09601	6.9
139.11191	7.6
142.55486	6.3
147.11679	12.4
149.13301	7.9
161.13295	9.1
165.12782	6.7
166.91364	6.2
175.14844	8.3
179.14281	6.0
217.19554	24.7
235.20461	28.5
253.21744	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	253.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	38.4
55.47017	3.7
56.96557	6.6
57.07058	19.0
67.05497	76.7
69.03416	5.8
69.07055	54.4
71.04987	19.5
71.08622	9.4
79.05477	11.5
81.03391	5.5
81.07052	100.0
83.08613	53.5
85.06533	10.8
90.57153	4.9
91.05458	6.0
93.07034	19.9
95.08599	99.8
97.10166	38.4
98.98471	25.7
105.07021	6.5
107.08568	8.9
109.10151	41.2
111.11755	10.6
121.10151	9.1
123.11723	15.6
133.10072	5.7
135.11720	15.0
174.60770	5.0
188.39650	5.0
200.69513	5.6
253.21645	9.4
253.25343	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	254.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77970	0.8
53.03958	0.7
56.96545	2.0
61.76162	0.8
65.03918	3.4
67.05489	2.5
69.03436	1.9
70.02934	1.0
74.02428	1.6
79.05482	5.6
79.06866	0.9
81.03413	9.2
81.07070	1.2
83.04961	1.0
83.71939	0.8
85.02890	2.8
88.03996	1.7
91.05481	10.7
93.03387	1.7
93.07034	11.2
94.06564	1.0
97.02896	1.2
102.97994	1.0
105.07033	6.3
107.04958	1.9
107.08577	3.0
111.04456	2.2
117.07000	2.1
121.02858	100.0
121.06557	1.3
121.10139	4.9
129.06993	2.4
131.08569	13.9
133.06415	1.2
134.04497	2.6
134.05986	1.4
135.08067	2.2
137.05960	2.8
149.09590	7.2
151.88715	1.2
159.08072	3.4
172.07558	1.8
176.06978	1.3
177.09105	11.0
188.07120	2.3
195.10133	6.5
206.08154	1.4
213.11205	14.0
222.41760	1.1
236.05641	2.4
254.06624	1.6
254.10335	2.3
254.13884	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58615	5.3
71.01350	9.9
74.40171	4.9
75.04482	28.5
81.03409	22.8
93.48006	4.7
103.03922	29.2
131.03398	12.3
140.48592	6.1
159.02884	72.0
172.07684	6.6
173.51762	5.5
187.02393	6.6
206.08249	8.2
219.04968	100.0
236.02371	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	254.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.1
55.05510	13.9
56.05864	5.2
64.36737	3.8
67.05495	100.0
67.05837	7.5
68.05828	38.6
69.07076	17.8
70.07416	8.5
71.04992	6.0
73.84461	3.9
79.05482	26.0
80.05840	17.3
81.07043	77.5
82.07381	46.4
83.08641	10.7
84.08951	10.0
91.05555	5.7
91.71590	7.7
92.05853	4.8
93.07035	33.6
94.07366	27.5
95.08600	81.2
95.09145	5.4
96.08923	50.1
97.06537	6.1
97.10180	7.3
107.08629	14.6
108.08935	9.3
109.10143	23.1
110.10536	17.3
112.05239	4.3
121.10121	30.5
122.10519	32.3
124.12094	5.4
135.11687	31.2
136.12027	39.8
150.13666	6.1
182.99315	4.4
198.46819	4.6
200.35522	5.5
218.20024	6.3
236.21083	11.8
254.21867	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18328	3.1
53.59441	3.8
55.05511	9.4
56.54076	3.2
56.96551	9.8
57.07059	4.7
58.19179	3.3
67.05489	15.6
69.07047	12.3
73.86202	3.6
81.03413	5.7
81.07046	15.0
83.08585	6.2
87.25046	3.7
91.05505	4.6
93.07059	7.3
95.08596	16.7
105.07092	5.0
110.49924	4.4
127.03913	8.4
162.09073	4.1
167.07027	5.3
183.94778	4.1
195.06639	7.5
254.10277	7.6
254.24748	100.0
255.30948	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	255.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19581	6.3
57.03435	10.9
66.40543	5.4
73.24092	6.3
78.93093	6.2
96.92830	7.6
98.71664	6.3
106.02879	8.0
122.15702	8.1
123.05544	100.0
124.04003	11.3
196.10794	9.3
198.03783	7.2
220.48802	7.7
232.89217	8.2
255.00311	9.0
255.06311	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	255.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11219	28.5
53.08713	29.1
59.07537	30.2
66.72002	27.5
68.92481	26.1
133.33659	35.4
135.29816	37.1
196.10753	56.2
242.59825	37.9
255.06276	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94266	4.2
56.96556	10.8
57.03418	7.7
64.84158	4.4
66.36476	4.0
67.05472	7.6
69.03427	11.3
70.06583	12.0
71.04974	10.3
81.03414	12.4
81.07057	5.6
85.02908	11.6
97.02886	5.5
97.96828	5.5
98.98447	6.9
109.02876	9.6
115.88312	5.2
115.89140	5.4
127.03930	22.0
129.26199	5.6
137.05969	6.3
146.21234	6.3
153.05550	5.1
167.07051	12.9
195.06577	26.0
207.72826	5.9
237.07414	21.2
243.43887	6.5
244.80960	5.7
255.08398	100.0
255.10817	8.5
255.13554	7.6
265.95309	6.4
267.99628	5.7
268.50980	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	255.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51561	1.8
55.05481	1.5
56.67680	1.7
56.96555	4.5
57.03446	1.7
57.07053	5.8
57.25547	1.7
61.64058	1.6
62.30104	1.8
67.05477	2.7
71.95950	1.9
73.82842	1.8
79.05477	11.4
91.05470	15.6
91.71533	1.9
93.07056	3.1
105.07027	7.0
106.20628	1.9
107.08579	100.0
109.06517	6.0
115.05420	2.5
117.07009	14.3
135.08032	58.9
163.07538	31.7
167.10672	27.9
167.42943	2.0
177.09119	5.7
195.10181	9.3
264.03705	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	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.1
55.05494	12.7
57.03419	12.8
57.07062	4.9
63.18149	2.7
67.05495	44.4
69.03426	3.9
69.07062	31.0
71.04982	33.4
71.08618	4.2
79.05495	31.5
81.03381	3.8
81.07046	33.8
83.04989	9.0
85.02900	82.8
85.10181	3.5
87.04438	8.5
88.96908	3.5
91.05464	17.9
93.07036	44.6
95.08599	100.0
97.02856	6.3
97.06538	14.6
99.04445	28.4
99.08057	4.2
105.07004	8.6
107.08584	12.9
109.10135	21.1
113.09614	3.4
115.04007	4.5
117.07001	11.4
119.08582	16.8
121.06494	5.6
121.10146	38.2
124.84671	3.2
125.02386	4.6
125.05964	3.8
127.03922	7.1
131.08603	10.3
133.10100	4.4
135.11708	12.9
137.05945	3.9
137.09621	10.2
139.11192	24.2
145.10222	5.2
153.12692	17.9
157.10193	3.8
159.11714	15.4
173.13280	5.8
177.12689	5.3
183.11714	5.4
191.14377	7.2
201.12776	8.4
216.94238	3.8
219.13843	12.4
237.14816	21.0
248.12836	4.0
255.15831	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	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19709	2.5
54.39693	3.0
55.01857	6.6
55.05491	10.3
57.03422	5.2
66.63902	2.8
67.05494	45.6
67.10001	3.3
69.03418	8.7
69.07059	15.7
71.04982	25.4
79.05495	15.6
81.03417	6.1
81.07041	31.1
83.04967	9.2
85.02897	51.4
86.70853	3.1
87.04456	5.6
91.05486	18.5
91.71635	7.3
93.07034	52.1
95.05016	7.4
95.08597	100.0
97.06546	7.9
99.04438	22.1
105.07002	6.2
107.04975	3.9
107.08599	7.3
109.06536	5.7
109.10143	38.6
113.09624	4.0
117.06993	6.5
119.08562	17.1
121.06526	8.3
121.10152	18.7
127.03934	4.3
131.08585	8.8
133.10143	3.9
135.08051	4.2
135.11703	10.3
137.09592	11.4
139.11194	11.9
144.43266	3.8
145.10130	4.6
153.09721	3.9
153.12607	5.0
155.07098	4.1
157.10126	5.0
159.11690	14.0
183.11803	4.8
191.14354	5.6
199.88969	3.7
201.12854	6.6
219.13817	15.1
237.14861	12.8
255.11967	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	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	14.4
55.05511	40.7
56.96584	9.4
57.03440	25.4
57.07078	8.5
67.05499	79.7
69.03426	10.5
69.07069	54.2
71.05000	41.8
71.08646	17.1
79.05499	34.8
81.03420	22.8
81.07048	67.4
83.04996	30.1
85.02898	87.5
87.04481	10.7
91.05521	17.7
93.00072	9.5
93.07018	75.9
95.04987	18.7
95.08588	100.0
97.06549	26.4
97.15539	8.9
99.04466	33.5
105.07048	19.2
107.08614	20.5
109.06595	18.6
109.10170	14.0
111.04496	12.6
119.08600	10.6
121.06519	13.3
121.10129	45.7
131.08636	12.4
135.08096	12.0
139.07492	10.6
139.11160	52.6
153.30931	9.8
159.11731	11.7
174.41078	10.5
187.57393	8.7
212.70723	8.4
219.13815	20.5
237.14920	22.2
255.13268	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	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86597	6.7
53.03943	7.8
55.01884	13.4
55.05508	16.8
57.03440	17.8
57.07078	6.3
62.39440	6.4
67.05495	81.0
67.05784	7.2
69.07073	27.0
71.05001	34.2
79.05514	29.3
81.07080	33.4
82.67724	6.7
83.05005	8.4
85.02900	80.5
87.04480	20.4
89.10070	6.7
91.05478	11.7
93.07034	53.6
95.04998	25.1
95.08591	100.0
97.06544	12.5
99.04484	25.1
104.73232	6.9
105.07049	12.4
107.08641	13.9
109.10197	22.9
114.46853	7.7
117.07034	15.1
121.10198	27.3
125.06033	11.0
131.08594	13.4
137.09692	8.5
139.11221	22.2
145.10207	11.7
153.12793	12.8
159.11729	20.3
168.84462	7.7
173.13394	8.5
219.14006	10.9
230.62234	8.7
244.18953	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	255.1589
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
53.03936	6.7
55.01866	13.5
55.05495	30.7
57.03415	19.0
58.82876	5.4
61.36023	5.3
67.05500	100.0
69.03420	12.6
69.07053	75.6
71.04983	57.3
79.05485	38.8
81.03414	36.1
81.07050	62.8
83.04971	23.3
85.02887	56.8
85.06514	14.7
91.05454	36.6
93.07037	69.3
95.04966	23.9
95.08593	83.9
97.06512	30.3
97.52013	7.2
99.04443	58.5
99.08073	6.6
100.11388	7.0
105.07003	12.9
107.08600	19.8
109.06493	13.4
109.10147	35.4
111.04401	11.0
111.08079	7.6
117.07044	8.4
117.70704	7.5
119.08600	15.8
121.06484	10.1
121.10160	50.8
121.47900	6.2
123.08059	6.3
125.02351	13.3
125.06035	7.8
131.08566	20.0
134.54362	7.5
135.08101	6.9
137.09593	55.4
139.11166	43.7
159.11658	15.7
161.68555	6.9
173.13165	10.8
191.14250	7.3
219.13788	19.4
237.14926	23.4
239.92145	10.1
243.16154	6.7
255.15871	16.9
279.79489	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	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.0
55.05497	17.1
57.03422	14.3
57.07059	5.6
62.23294	3.6
67.05498	86.7
69.03416	9.6
69.07064	29.9
71.04984	29.5
78.32700	3.5
79.05494	27.5
81.07045	35.3
83.04979	14.0
85.02898	87.3
85.10163	5.7
87.04476	10.5
91.05487	19.0
93.07035	64.6
93.70494	4.0
95.04968	9.3
95.08600	100.0
97.06532	16.7
99.04449	32.8
103.03926	4.2
105.07023	8.8
107.04987	3.8
107.08588	16.3
109.10156	27.7
116.55385	3.8
117.07032	10.8
119.08601	12.5
121.10155	29.0
127.03978	6.5
127.58826	4.4
129.07031	6.0
131.08585	14.1
135.11703	6.0
137.09624	12.8
139.11168	23.2
146.56174	4.6
149.05952	4.4
153.12711	6.4
157.10036	4.9
159.11707	17.0
161.54951	3.8
167.07118	4.9
173.13208	6.8
183.11737	6.2
191.14330	10.9
201.12645	7.4
219.13791	15.7
237.14844	18.1
270.52432	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	255.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.2
55.05504	15.2
56.88597	3.1
57.03420	12.9
57.07060	5.4
65.16911	4.0
67.05493	63.6
69.03410	8.3
69.07060	26.1
71.04980	26.6
72.11491	3.8
79.05484	31.1
81.07049	35.8
83.04974	9.5
85.02896	86.1
85.03377	7.6
85.10143	3.7
87.04443	7.1
90.52245	3.8
91.05473	21.6
93.07041	57.5
93.07579	6.8
94.94204	4.1
95.04936	11.1
95.08601	100.0
97.06523	14.5
99.04446	31.7
99.08081	6.0
103.03863	4.4
105.07040	12.9
107.04935	5.6
107.08594	16.5
109.10130	23.2
115.03924	5.2
117.07044	11.2
119.08587	15.8
121.06487	8.9
121.10151	28.5
125.06032	10.6
127.03967	4.6
131.08571	8.3
135.11707	9.8
137.09572	9.4
139.11140	20.8
145.10143	6.6
153.12766	10.1
159.11700	15.2
160.63394	4.2
167.07025	4.8
173.13300	8.2
183.11650	5.4
191.14307	6.1
219.13820	14.0
232.97621	4.2
237.14926	15.5
262.60190	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	255.159
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
53.03924	9.6
55.01852	10.6
55.05506	33.1
55.33979	5.1
57.03424	18.2
57.07074	6.2
58.69507	4.9
65.03926	5.7
65.78095	4.7
66.85206	5.3
67.05496	90.3
69.03416	11.2
69.07058	86.9
71.04974	47.4
71.08613	8.1
73.02922	5.8
78.54534	6.2
79.05482	52.8
81.03400	17.3
81.07044	74.7
83.04974	14.2
85.02898	100.0
85.06548	14.2
87.04471	17.8
91.05466	27.6
93.07043	71.4
95.04951	25.0
95.08600	88.0
97.02921	8.6
97.06542	33.3
97.07040	5.1
99.04447	60.6
99.08070	7.1
101.02394	6.6
105.07034	19.0
107.08591	18.9
107.91144	5.4
109.10148	22.8
111.04448	9.5
111.11731	11.8
113.09620	7.5
115.03902	9.8
117.06984	17.2
119.08598	21.0
121.10131	55.4
123.11723	7.6
125.06005	8.2
131.08556	17.9
135.08038	6.7
137.09637	29.1
139.11186	53.8
147.08075	6.9
150.16678	6.7
159.07947	6.4
159.11685	18.4
173.13272	7.7
177.12744	9.6
191.14308	22.6
195.13832	11.4
201.12767	13.5
219.13817	21.5
219.98582	6.5
237.14798	38.2
255.15862	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	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58709	5.5
55.01854	8.3
55.05497	21.6
57.03426	16.3
67.05495	88.5
69.03410	14.0
69.07052	41.5
71.04985	27.2
74.48740	6.2
79.05476	36.8
81.03398	6.9
81.07041	44.8
83.04990	14.2
85.02896	96.5
85.06497	7.8
87.04449	16.4
90.03909	5.8
91.05475	25.0
93.07039	74.2
95.04958	19.1
95.08597	100.0
97.06509	19.4
99.04427	39.0
105.07023	18.6
107.04926	9.6
107.08604	11.5
109.10142	28.7
111.04442	13.8
111.12900	6.4
113.09583	6.9
115.03909	8.0
117.07003	18.5
119.08566	24.8
121.10155	37.4
127.03890	10.9
131.08575	14.0
137.09529	9.0
139.07529	9.7
139.11185	29.6
145.10103	12.0
159.11641	38.2
173.13264	10.1
201.12814	8.7
219.13712	15.9
222.76071	6.5
237.14836	15.3
251.56467	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	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77359	3.9
51.70100	3.4
53.48263	3.9
55.01866	6.3
55.05500	16.8
57.03423	11.2
57.07063	8.6
63.04504	3.6
67.05492	55.3
69.07064	29.8
70.36811	3.6
71.04976	29.5
74.35971	5.1
79.05477	27.9
81.07047	33.7
83.04967	12.8
85.02895	79.7
87.04465	7.8
89.91045	4.6
91.05447	10.7
91.71038	4.7
93.07033	60.3
95.04965	10.4
95.08596	100.0
97.02918	5.1
97.06531	14.6
99.04431	34.6
105.07002	11.2
107.08596	17.9
109.10172	19.9
116.03707	4.2
117.06995	8.2
119.08601	16.4
121.10113	34.6
131.08575	14.5
134.72720	4.9
135.08070	5.5
135.11743	8.6
137.09637	13.4
139.11154	26.3
140.51143	5.5
145.10085	6.0
147.11635	4.5
149.13234	4.8
153.12801	8.3
159.11708	12.9
173.13335	5.5
191.14375	6.7
219.13837	20.0
237.14896	20.5
247.24004	5.3
255.15845	5.7
258.12686	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	255.1591
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
53.03938	4.5
55.01872	19.0
55.02090	4.0
55.05513	20.7
56.96550	4.8
57.03417	11.9
57.07064	9.3
57.90589	2.2
65.03928	6.2
67.05493	66.9
69.03406	3.4
69.07062	31.2
71.04610	4.1
71.04980	62.3
71.08641	2.6
72.49279	2.6
73.02912	5.3
79.05486	72.9
81.03405	7.8
81.07047	100.0
83.04971	20.1
83.08592	3.8
85.02884	18.5
85.06535	52.8
87.04465	31.7
90.12347	2.8
91.05476	56.8
93.07030	71.3
95.04950	16.9
95.08601	37.9
97.06526	38.5
99.04437	15.0
99.08083	42.5
101.02384	3.1
105.07019	40.5
107.04942	8.5
107.08598	26.2
109.06493	13.3
109.10145	9.0
111.04450	8.7
111.08082	17.3
113.06022	5.4
115.03922	14.7
115.05385	3.6
117.07012	32.4
119.08555	17.5
121.06495	17.3
121.10117	17.6
123.08048	13.9
123.11687	6.0
125.06004	9.4
125.09639	6.9
127.03870	3.5
129.06990	14.2
131.08571	39.3
133.06467	4.1
133.10136	10.5
135.08031	14.8
135.11765	4.8
137.05963	5.7
137.09618	5.2
139.07526	4.2
139.11211	6.9
141.06993	9.5
141.07979	2.5
142.07768	3.6
145.06480	3.8
145.10118	16.6
147.08070	5.0
147.11696	6.4
149.05975	3.3
149.09615	3.1
155.08572	9.4
157.10107	15.0
159.08057	4.3
159.11696	35.6
163.07523	5.2
167.07100	4.6
173.13182	14.3
175.11308	3.3
175.13725	3.3
177.12727	6.5
183.11690	13.0
191.14253	6.3
196.16524	2.7
201.12724	14.9
219.13843	17.9
237.14867	22.2
242.42879	2.9
255.15866	7.5
258.28006	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	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	15.5
55.05496	37.1
56.96557	20.9
57.03415	25.4
57.07052	19.2
65.41727	7.8
67.05505	77.6
69.03429	14.3
69.07052	77.6
71.04984	56.3
71.08617	11.9
79.05481	52.2
81.07043	83.5
83.04977	21.8
83.08592	10.1
85.02898	94.3
85.06526	14.6
87.04453	10.4
91.05471	25.4
93.07039	78.1
95.04965	14.8
95.08612	100.0
97.02898	19.0
97.06525	30.2
97.95438	8.3
98.98541	9.6
99.04443	51.5
102.90020	9.6
105.07035	11.6
107.08585	26.3
109.06522	8.8
109.10146	19.5
111.11688	15.9
119.08577	22.2
121.06500	12.9
121.10143	44.0
121.10894	9.6
125.02339	10.0
125.06039	10.4
127.03901	15.5
131.08589	21.6
132.95837	9.3
133.10089	11.2
135.11700	13.9
137.09583	15.1
139.11176	59.0
145.10092	14.6
149.13290	9.7
153.12723	8.9
155.11076	8.2
159.11746	21.7
165.74925	10.1
167.07123	11.2
191.14299	10.1
195.06477	8.8
199.50172	9.0
237.14914	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
55.01854	26.6
55.05501	24.1
57.03426	28.8
57.07084	9.1
66.11828	7.7
67.05499	93.7
69.07049	37.4
71.04990	62.2
76.36561	9.2
79.05488	58.7
81.07041	58.8
83.04984	13.6
85.02886	56.0
85.06534	27.6
87.04461	20.2
91.05469	36.4
93.07047	68.0
95.04960	20.0
95.08595	100.0
97.06544	33.6
99.04449	28.8
99.08150	14.7
105.07027	23.0
107.08595	33.9
109.06523	10.9
109.10149	29.2
111.04465	12.1
111.08081	14.7
115.04012	11.8
117.07037	26.8
119.08578	20.3
121.06529	18.1
121.10146	33.1
122.09357	10.2
123.08051	10.6
127.04002	10.7
131.08574	24.0
133.10197	10.7
135.08083	9.1
136.67328	9.7
137.09596	19.2
139.07536	11.3
139.11246	10.2
145.10164	19.4
155.20303	10.2
157.10127	10.1
159.11714	21.3
173.13347	18.2
182.62662	10.6
191.14256	10.0
201.12770	22.4
219.13873	27.2
237.14886	44.1
255.15945	23.9
261.51154	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	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37511	2.5
53.03931	4.5
54.28598	3.2
55.01849	10.0
55.05499	23.8
57.03419	12.6
57.07062	8.2
63.17594	3.1
67.05495	53.3
67.05832	5.3
69.03413	5.3
69.07059	47.8
71.04982	42.4
71.08611	5.6
79.05484	37.1
80.86539	2.8
81.03400	5.2
81.07041	45.0
83.04993	16.5
83.08603	5.1
85.02892	68.5
87.04453	8.8
91.05465	16.7
93.07027	66.6
95.04963	9.5
95.08591	100.0
97.06509	13.7
97.10139	3.8
99.04456	36.2
99.08078	5.5
101.02392	4.8
103.03960	4.7
105.07010	11.8
107.08588	21.4
108.53101	3.3
109.10143	17.0
111.04435	6.4
111.11702	6.1
117.07010	11.6
119.08572	12.3
121.06503	7.5
121.10139	34.6
125.05974	5.7
125.52181	3.2
127.03928	7.3
131.08575	12.4
135.08054	7.4
135.11725	7.7
137.09578	7.9
139.07495	8.0
139.11157	38.0
145.04929	3.9
145.10156	4.9
149.05952	5.5
153.12744	10.5
159.11656	15.6
167.06917	4.2
173.13239	7.7
177.12837	3.9
189.62804	3.3
191.14311	6.8
195.13857	4.7
201.12776	5.8
219.13777	18.0
222.84666	3.4
237.14830	28.4
238.15280	4.0
255.15962	6.6
262.51575	3.8
269.55524	3.5
273.56534	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	255.2317
Annotation	Actinopolysporin C
Peak:m/z	Relative Intensity
55.05508	23.3
57.07073	2.4
65.03915	2.1
67.05495	69.0
69.07059	22.3
71.04972	4.7
71.08557	1.7
71.24984	1.5
79.05488	15.9
81.07047	100.0
83.08220	2.0
83.08617	21.4
85.06536	2.1
91.71709	2.0
93.07036	17.6
95.08599	74.9
97.06541	2.6
97.10165	12.0
99.08059	1.6
107.08579	12.4
109.10139	28.1
111.08064	1.9
111.11707	4.3
121.10136	17.6
123.11703	24.2
135.11694	18.8
137.13298	10.4
147.08133	2.5
149.13264	5.1
194.59978	1.6
216.76399	1.8
219.21106	4.9
237.22197	4.8
238.00772	2.1
255.23123	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	255.2318
Annotation	Actinopolysporin C
Peak:m/z	Relative Intensity
52.46491	2.0
55.05502	17.9
57.07066	6.0
64.16724	2.4
67.05497	61.3
68.57916	2.2
69.07059	19.8
71.08633	2.9
79.05502	14.2
81.07049	100.0
83.08627	21.1
93.07036	19.1
95.08604	66.1
97.06537	4.1
97.10157	15.5
107.08595	8.7
109.10155	23.3
121.10135	16.8
123.11725	15.8
135.11700	16.3
137.13243	8.5
144.27431	2.5
149.13248	10.0
163.14767	3.2
164.72580	2.4
165.06184	2.6
219.21046	5.6
243.71339	2.6
246.12839	3.1
248.95999	2.9
255.23256	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	255.2316
Annotation	Actinopolysporin C
Peak:m/z	Relative Intensity
55.05295	1.5
55.05508	19.4
56.63413	1.5
57.07064	2.8
58.50648	1.8
67.05496	66.8
69.07064	18.4
69.20580	1.5
71.04987	3.9
79.05495	13.0
81.07047	100.0
83.08614	18.0
83.45634	1.8
85.06527	2.7
87.69661	1.7
93.07031	15.5
95.08600	77.3
97.06537	3.6
97.10155	13.8
99.13287	1.7
107.08569	7.9
109.10149	22.3
111.47551	2.1
121.10142	19.5
123.11700	19.9
127.03909	2.0
135.11671	11.7
137.13242	10.7
149.13271	6.3
163.14915	2.8
195.06439	2.2
219.21159	4.8
237.22197	3.5
239.32008	1.9
255.23201	3.5
260.89859	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0653
Annotation	PISCIDIC ACID
Peak:m/z	Relative Intensity
50.24284	1.0
51.18020	0.8
58.06591	2.1
65.03925	1.1
65.58602	0.8
66.53596	0.8
67.47379	0.8
67.80527	0.9
70.00656	0.9
73.07454	1.1
75.91687	0.8
82.96243	0.9
91.05467	15.0
95.04957	3.1
107.04944	59.1
119.04932	56.4
123.60975	1.0
124.51541	1.0
131.72969	0.9
137.05960	3.7
141.98862	1.0
147.04399	100.0
151.02995	1.0
165.05531	1.6
175.03860	8.9
177.80180	1.1
191.18843	1.1
193.04936	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0805
Annotation	Emodin anthrone
Peak:m/z	Relative Intensity
52.17035	2.3
55.01851	5.1
69.03418	34.4
87.97462	2.8
88.03705	2.5
91.05477	5.4
97.02888	52.3
107.04930	12.3
119.04906	2.9
119.17014	2.7
121.02848	8.9
123.04433	2.7
131.04886	9.8
133.06461	4.1
141.06976	8.2
144.05659	5.1
145.06438	5.0
147.04346	6.4
149.16190	3.0
152.06169	4.5
153.06964	4.4
157.06483	5.5
159.04366	17.3
160.05194	5.9
161.05949	10.2
165.06946	13.2
167.08585	4.8
183.08063	5.5
185.09633	4.8
187.07556	8.6
197.05942	7.8
200.95009	2.8
202.24847	2.8
211.07530	13.7
213.09117	4.1
220.79213	3.4
229.08702	4.3
239.07074	15.1
257.08057	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0805
Annotation	cis-3,4-Phenanthrenedihydrodiol-4-carboxylate
Peak:m/z	Relative Intensity
51.94584	4.5
54.26621	5.3
55.01847	6.8
55.05503	7.1
55.18565	4.9
69.03418	55.9
76.54661	6.8
93.50006	6.8
96.67197	6.9
96.67974	5.8
97.02864	36.0
107.04935	8.2
115.05450	10.6
123.96107	7.4
131.04938	23.8
137.76364	6.9
141.06985	16.3
153.07001	11.9
157.76648	7.7
159.04364	22.5
160.05190	7.8
165.07021	25.8
168.05695	8.4
169.06491	12.6
183.08206	10.0
187.07571	13.2
197.06035	38.0
199.03912	14.3
211.07466	33.2
215.06937	10.5
221.05846	7.4
239.06978	44.1
257.08093	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05629	9.8
69.07034	4.7
70.06580	100.0
71.76796	4.1
77.43700	3.9
95.04956	6.4
97.07635	24.0
119.01904	18.1
121.02857	10.0
123.04018	6.9
138.04977	4.4
142.03450	10.0
142.08232	5.2
165.05106	13.4
171.10924	10.1
173.07736	11.1
193.08067	5.3
194.12622	6.1
195.10912	9.9
196.09277	12.1
197.07664	74.0
197.09274	6.9
210.11969	7.7
212.13538	22.2
215.08636	32.6
220.09233	9.3
238.10149	88.4
239.09973	41.0
256.01541	4.9
256.12637	5.7
257.10944	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1284
Annotation	Albonoursin
Peak:m/z	Relative Intensity
65.03913	4.6
66.74992	3.0
67.05490	4.8
91.71628	3.2
92.04973	9.2
93.07076	3.3
120.04510	2.9
123.74271	2.7
158.09648	3.1
169.08865	7.1
171.09157	3.6
182.25021	3.8
183.06714	3.8
184.11221	7.3
185.10609	6.9
186.11516	13.5
186.12967	3.3
197.08365	9.2
199.08612	8.8
200.09515	15.8
201.13887	12.7
212.10704	16.9
213.06598	7.9
213.10275	10.0
213.60112	3.2
214.10957	10.4
227.08119	7.9
228.08824	23.0
229.09807	21.1
229.13312	45.9
240.10057	3.9
241.09677	17.8
242.10484	33.4
257.12836	100.0
275.13037	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	257.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	5.9
55.05280	4.0
55.05508	35.5
57.03422	7.6
57.07062	6.6
63.00428	3.0
67.05493	53.8
67.11066	3.2
69.07058	100.0
71.04988	21.6
73.77975	2.8
75.99605	3.6
76.10185	3.1
79.05481	21.2
81.07050	87.6
83.04946	6.5
83.08615	15.2
85.02423	5.7
85.02896	63.5
87.04461	9.0
91.05476	20.6
93.07029	23.6
95.04959	19.3
95.08600	41.8
97.06539	9.3
97.10179	7.4
99.04456	17.2
103.03976	5.4
105.07028	20.0
107.08591	8.3
109.06522	4.0
109.10159	9.9
111.11746	9.3
117.06979	5.3
119.08570	17.6
121.06485	6.3
121.10148	11.6
123.08060	5.7
123.11680	22.2
127.00320	3.6
133.10158	8.5
135.11668	4.2
137.13246	9.2
139.11179	15.8
141.12747	4.6
143.48839	3.5
146.52904	4.0
155.14311	5.8
161.13255	11.6
165.09122	4.7
171.86270	4.2
175.14809	14.0
187.63506	4.1
193.15916	5.9
203.14381	13.2
206.05544	4.0
221.15443	8.2
221.54839	3.6
239.16414	7.4
241.85204	4.1
242.07549	4.4
246.94051	4.8
257.04053	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	2.9
55.01857	8.5
55.05505	35.2
57.03416	6.9
57.07062	5.8
67.05498	63.3
69.07058	100.0
69.48438	2.8
71.04984	24.3
73.02904	3.9
73.06527	3.0
79.05491	21.6
81.07049	75.7
83.04964	12.3
83.08598	9.9
85.02896	70.6
87.04469	15.0
91.05503	21.0
93.07030	25.1
95.04947	14.5
95.08612	31.2
96.50958	2.8
97.06523	10.0
97.10124	4.4
99.04449	20.9
101.02369	10.1
103.03951	3.4
105.07024	29.1
107.08592	9.7
109.06536	6.0
109.10122	8.2
111.04492	3.8
111.11710	10.0
113.05988	4.4
115.03918	7.2
117.07000	5.0
119.08569	27.9
121.06486	3.6
121.10136	12.2
123.04479	3.7
123.08089	5.0
123.11678	22.4
129.06982	3.3
131.08524	3.1
133.06494	4.5
133.10088	14.5
137.13237	9.5
139.11191	13.3
141.12697	3.2
147.08046	4.6
147.11717	5.7
149.09628	3.9
151.07515	4.9
153.09013	4.0
155.14308	5.0
159.11655	5.8
161.13254	25.6
165.09105	5.9
175.14867	8.1
179.14285	9.0
181.83298	3.3
185.13243	8.2
193.15897	11.4
199.30466	3.1
203.14296	13.7
221.15343	19.5
239.16348	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	257.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37344	3.6
51.86425	3.2
54.17230	3.6
55.01874	22.5
55.05508	32.4
57.03429	12.3
57.07065	11.2
59.09254	3.9
59.81067	3.8
66.59460	3.7
67.05500	83.4
69.03407	4.9
69.07063	78.7
69.12422	3.8
69.70033	3.7
71.04991	26.2
71.08623	5.9
72.08184	4.2
73.02904	14.3
79.05486	32.9
80.03102	4.7
81.07052	100.0
83.04958	13.7
83.08612	30.0
85.02901	95.9
85.03362	2.6
85.06525	5.2
87.04461	45.4
91.05482	35.1
93.07043	46.9
95.04969	21.5
95.08602	56.0
97.06515	14.3
97.10149	5.6
99.04459	12.8
101.02376	21.4
103.03965	8.0
105.07042	45.9
105.42368	5.0
107.08582	12.6
109.06521	8.2
109.10167	23.7
111.04438	14.1
111.08087	11.3
111.11692	5.9
113.05985	6.9
114.05450	4.4
115.03928	30.4
117.07030	9.5
119.08587	43.4
121.06500	9.2
121.10152	15.6
123.08100	6.6
123.11712	26.1
125.05994	5.8
129.07018	6.7
131.08554	4.5
133.06474	7.5
133.10098	23.6
137.06067	5.2
137.09627	7.5
137.13239	7.3
139.07553	19.2
144.02390	5.2
147.08022	6.9
147.11676	11.3
151.07562	10.2
154.60977	4.5
155.14302	10.1
159.11644	8.8
161.09660	9.0
161.13237	53.8
162.03421	6.9
175.14856	14.6
179.14365	9.0
185.13284	7.9
193.15860	13.1
203.14336	27.2
221.15411	36.4
239.16492	24.9
256.67426	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	257.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71599	2.2
55.01861	3.2
55.05291	2.7
55.05507	29.7
57.03428	9.0
57.07059	4.5
67.05499	46.2
69.07060	45.0
71.04993	16.8
77.97964	2.5
79.05481	16.9
81.07047	85.0
83.04962	6.9
83.08620	16.2
83.09042	3.0
85.02899	100.0
85.06551	3.7
87.04440	7.1
91.05481	13.3
93.07037	21.8
95.04954	7.4
95.08601	43.9
97.06531	10.9
97.10149	7.4
97.14472	2.8
99.04466	13.9
103.03938	10.7
105.07018	12.7
107.08624	5.1
109.06480	2.9
109.10129	7.5
111.04379	3.9
111.11755	3.7
115.03982	3.6
116.86227	2.8
118.66985	2.9
119.08576	20.5
121.10165	17.2
122.60189	3.4
123.11706	20.2
133.10101	6.1
137.13237	23.1
139.11153	20.0
143.08575	4.0
155.14293	19.7
161.09671	3.3
161.13266	11.0
175.14819	6.8
180.44179	2.9
193.15794	4.0
203.14325	6.2
221.15427	7.2
239.16405	13.9
262.87976	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	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.85991	2.1
55.01884	3.4
57.03387	2.5
60.48510	2.5
60.48865	2.5
63.37767	2.5
67.05495	9.4
69.07064	4.6
71.04987	5.4
79.05487	8.8
81.07054	9.8
86.69595	2.9
91.05490	13.8
93.07018	23.7
95.04974	3.3
95.08585	9.9
105.07037	33.0
107.08588	12.3
109.06524	6.7
109.10160	13.7
111.08143	3.5
117.07035	6.9
119.08559	20.0
121.10135	100.0
123.08067	6.5
128.06218	5.8
128.10757	3.1
129.07072	3.3
131.08545	10.7
133.10135	7.4
135.08037	26.5
135.11697	3.9
137.09650	5.2
139.63467	3.2
142.07845	3.4
143.08540	15.2
143.52757	3.1
145.10159	12.0
157.10133	15.5
159.11737	6.5
169.10136	6.8
171.11646	5.5
173.13281	12.7
183.11858	5.5
197.13358	7.3
199.14833	27.3
201.12648	4.3
213.16330	8.5
215.17967	4.5
237.19844	3.3
239.18027	7.9
257.18976	56.0
258.28122	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	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.81399	4.2
55.05507	10.2
55.23232	4.8
56.96555	7.2
57.07069	5.2
67.05495	8.5
69.07073	11.0
71.05005	11.6
81.07074	19.6
85.06551	7.4
87.83688	4.9
91.05527	7.4
93.07053	16.3
95.08628	25.5
105.07021	12.0
107.08630	13.4
109.10194	13.0
117.07120	5.2
119.08610	19.3
119.34329	5.5
121.10188	23.2
131.08594	13.0
133.10210	14.0
137.09662	6.7
142.07822	6.5
143.08638	12.6
145.10193	18.9
157.10199	27.9
159.11687	30.7
169.10234	12.2
171.11743	13.1
173.13242	32.8
178.91132	6.9
183.11810	14.3
187.11247	13.6
197.13271	10.5
199.14960	19.0
201.12683	7.4
213.16443	18.0
215.17815	8.8
239.18021	17.9
257.19012	100.0
259.51923	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	257.2474
Annotation	4,13-Dimethyltetradecanoic acid
Peak:m/z	Relative Intensity
53.03946	2.3
55.05506	41.7
56.96571	1.7
57.07064	13.8
62.98811	1.6
67.05498	70.5
69.07062	65.8
69.07414	3.5
71.04990	12.4
71.08626	3.1
79.05502	5.4
79.14202	1.8
81.07048	99.8
83.08613	55.8
85.06563	5.5
91.71045	2.2
93.07050	2.1
95.08601	100.0
97.10167	28.9
105.07025	2.0
109.10150	46.0
111.11753	7.4
123.11695	19.4
125.13295	4.3
137.13306	7.3
151.14861	3.2
175.23674	2.2
239.23778	3.2
257.24756	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	257.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92972	5.0
51.47606	4.8
53.00314	6.3
54.04594	5.3
54.13723	4.8
54.29916	6.1
55.05503	36.9
57.07067	13.4
67.05496	68.7
69.07062	62.0
71.04987	10.7
81.07056	91.9
83.08607	42.3
95.08607	100.0
97.10161	23.3
109.10152	53.0
123.11716	12.5
129.41905	6.2
209.99892	6.5
238.72412	7.1
245.29514	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	257.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70967	3.5
55.05503	34.5
57.07070	9.4
65.15046	3.6
67.05495	66.1
69.07059	55.7
71.04970	9.7
81.07045	75.9
83.08614	51.6
85.06522	5.8
91.71196	7.4
92.18938	4.0
94.54389	4.3
95.08595	100.0
97.09626	6.0
97.10153	34.7
109.10145	51.7
111.11722	10.2
111.51447	4.1
123.11723	16.2
137.13248	7.7
151.14696	4.5
200.84676	4.4
240.36984	4.4
251.50986	4.7
274.75693	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	257.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49232	3.2
52.23840	2.8
52.85372	3.3
55.05502	41.9
57.07062	12.4
57.45667	2.7
59.42214	2.6
62.11904	2.9
67.05497	61.7
69.07056	54.4
71.04974	7.2
77.36275	3.6
80.62067	3.8
81.07047	77.4
83.08614	47.8
95.08593	100.0
97.10181	27.0
98.74755	4.1
101.52146	3.3
109.10149	42.6
123.11693	18.9
125.13239	5.6
137.13289	7.2
214.04369	3.4
238.39870	3.5
254.16914	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	257.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	42.4
57.07083	14.0
64.58250	4.9
67.05500	79.4
69.07058	70.9
71.04992	13.5
81.07048	99.4
81.07485	8.7
83.08611	67.7
93.07072	7.4
95.08600	100.0
95.09138	7.6
97.10172	34.4
109.10129	47.5
119.08672	6.7
121.10209	7.3
121.43533	6.1
123.11735	18.8
126.33847	7.2
137.13315	7.9
138.99876	8.0
175.23709	6.3
239.23854	7.2
255.90814	7.9
257.19226	21.7
269.01700	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	258.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
64.37551	31.1
65.62570	27.8
66.17751	26.4
70.06561	42.6
76.14016	27.7
91.58462	27.7
101.23589	31.8
105.51993	29.4
107.48623	27.0
111.48432	28.8
112.83064	29.9
127.18787	30.7
217.06982	48.3
258.07333	100.0
258.09744	49.8
265.75800	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	258.11
Annotation	Glycerophosphocholine
Peak:m/z	Relative Intensity
52.48017	1.3
55.01883	1.2
56.05032	1.4
58.06586	1.7
58.62989	1.3
59.74065	1.3
60.08158	9.9
61.02905	1.4
69.03417	1.7
70.06583	2.8
71.07352	3.2
84.04510	1.8
84.08122	3.0
85.02900	2.3
86.09692	21.6
96.04465	1.9
97.02886	7.0
98.98460	3.6
104.10732	100.0
109.07639	5.3
124.04020	1.8
124.99982	22.0
126.06652	2.0
155.08133	4.0
162.39642	1.7
183.07686	6.5
184.07295	8.6
194.17560	1.7
217.06862	2.5
258.11136	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	258.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.2
57.03426	1.6
59.84557	1.1
60.08160	9.7
69.03419	1.4
70.06590	3.8
71.07342	2.4
82.06593	3.0
83.06078	1.9
84.04504	2.3
84.08150	3.8
86.09693	19.8
93.71001	1.1
94.70576	1.1
95.04998	1.3
97.02882	3.1
98.98471	3.1
104.10741	100.0
109.07642	21.1
110.06044	1.4
110.07200	1.3
110.09694	1.2
110.95790	1.1
111.65888	1.2
116.07069	2.3
117.49231	1.2
124.03982	4.3
124.99997	22.1
126.06649	5.7
127.05024	1.4
155.08162	22.4
183.07668	19.4
184.07321	9.1
193.80595	1.5
258.11029	22.4
258.13474	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1133
Annotation	6-Methoxyflindersine
Peak:m/z	Relative Intensity
56.96543	16.6
58.17908	7.5
63.25148	7.3
70.75587	9.0
72.13454	8.3
85.92225	8.2
95.03452	100.0
98.76876	8.1
108.04237	11.3
127.02462	13.2
137.08113	27.1
150.08926	29.0
152.06813	23.9
168.74173	9.6
169.07130	11.3
191.11540	11.8
194.11572	12.8
211.11844	14.0
217.15926	15.3
227.54533	9.9
246.62782	11.7
253.62021	10.3
258.11264	78.8
258.28043	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	258.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	0.8
56.05015	2.5
56.96553	1.8
70.06574	4.0
72.08121	1.5
73.25883	0.9
84.04498	24.3
84.08134	100.0
85.02893	1.2
86.09695	1.4
87.11748	0.9
101.10767	1.9
104.10689	1.0
111.09222	1.8
129.10237	97.4
130.05029	6.2
217.06844	4.1
239.44307	1.1
240.13480	1.7
241.11836	1.5
258.14343	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	259.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55456	7.0
60.98793	7.0
64.13000	7.1
69.03415	9.0
70.86888	10.8
95.05006	13.6
137.05923	22.6
231.03377	11.7
259.03949	100.0
277.06595	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	259.0601
Annotation	1,6-Dihydroxy-5-methoxyxanthone
Peak:m/z	Relative Intensity
68.99758	1.7
72.13584	1.6
115.05452	18.9
117.06999	1.9
127.05397	2.7
128.06229	2.5
141.06989	10.0
154.04109	9.2
155.04901	4.5
156.06207	2.0
157.02840	7.1
160.14880	1.8
169.06487	17.6
170.03587	2.3
175.03903	6.3
181.02852	3.0
185.05972	7.4
199.03792	2.0
213.03445	3.4
213.05446	53.0
231.06494	75.8
259.05975	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53525	9.7
53.20994	9.5
55.05489	24.8
56.96541	11.7
58.06586	12.1
67.05482	12.2
69.03416	13.9
69.07057	17.9
70.06608	29.3
72.08151	67.8
72.93797	12.0
80.05035	16.3
81.07034	13.3
83.04963	11.9
84.04494	42.5
84.08138	39.0
86.02433	13.1
86.09673	17.6
96.04491	17.9
97.02911	20.2
98.06055	31.9
101.00895	16.3
102.05563	20.5
107.04930	17.4
113.15501	11.8
114.05540	35.6
119.01898	92.0
123.83558	11.5
124.02492	16.2
129.10201	33.0
137.02975	35.4
142.03412	100.0
143.59088	11.6
144.08072	13.7
165.05119	50.8
173.06554	17.0
187.08174	34.0
191.07793	14.8
194.32549	11.6
196.08228	40.2
205.09352	17.3
209.79158	12.2
210.09746	82.7
213.06079	15.2
214.09222	19.1
215.07646	18.1
217.42702	13.4
238.09291	40.3
254.08716	60.4
259.13010	18.3
279.12067	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	259.111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47824	4.7
55.01855	8.2
55.05500	8.3
56.05033	42.6
56.96566	12.1
57.07052	10.9
58.99570	17.9
67.05496	9.9
68.05000	6.4
69.03436	7.2
69.07054	4.6
70.02908	5.0
70.06580	15.4
70.56494	5.4
71.29131	5.1
73.01135	5.2
79.05476	14.5
80.04971	5.7
81.03394	5.5
81.07039	13.0
83.04986	6.5
84.04484	15.7
84.08137	12.0
85.01119	23.5
85.01572	5.8
85.97504	5.1
86.00651	17.2
86.09670	7.8
86.99061	5.2
87.02690	12.4
89.03873	7.1
94.06559	10.3
95.04945	6.1
96.08165	8.0
98.09693	67.7
98.97585	9.5
102.05540	17.1
110.09652	14.5
112.03979	10.0
113.04250	24.5
114.03720	5.5
116.01653	30.3
122.09652	9.3
129.10268	7.7
130.05016	7.6
130.08670	6.6
141.62198	5.9
142.03287	10.7
145.02908	8.5
147.61749	5.9
156.08388	30.0
156.10233	50.5
177.05472	21.7
216.06935	9.6
223.09712	7.8
259.11142	100.0
267.46021	6.3
275.51563	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	259.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38963	3.7
54.14714	3.7
55.05514	14.3
63.68095	4.1
67.05499	16.6
69.07063	53.2
69.07381	5.4
71.04980	41.8
79.05512	8.3
81.07042	26.0
81.48769	4.1
82.31870	5.3
82.56239	4.2
83.05003	10.1
83.08653	7.0
85.06520	26.7
88.98733	3.7
91.05495	19.9
93.07040	32.2
95.04973	7.9
95.08630	21.5
97.06546	8.3
105.07011	49.1
107.08585	25.8
109.06554	17.8
109.10174	20.0
111.08066	27.5
117.07059	15.3
119.08569	81.5
121.10182	16.3
123.11686	33.4
126.68186	4.6
131.08600	20.9
131.17189	4.8
133.10107	44.7
133.85992	5.0
135.08069	31.7
135.11674	6.4
140.07748	4.9
143.08574	13.0
144.09386	7.4
145.10155	39.5
147.11720	22.5
157.10141	11.3
159.11653	30.0
161.13231	53.7
163.11330	5.4
171.11720	18.0
173.13332	8.3
175.14804	100.0
175.16156	6.8
185.13301	8.3
189.12898	6.1
201.16432	19.8
203.14352	6.5
215.18077	7.1
217.19579	6.3
236.80783	4.7
241.19676	16.6
259.20523	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	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05499	12.1
55.09000	6.1
61.14205	6.5
65.86707	6.2
66.70416	7.3
67.05498	18.6
69.07065	51.5
70.57288	6.4
71.04987	41.4
81.07030	20.0
83.08604	12.9
85.06537	23.6
91.05474	16.9
91.56471	7.7
93.07030	27.6
95.08598	31.3
97.06516	11.3
105.07000	42.1
107.08607	26.8
109.06530	15.9
109.10148	22.6
111.08091	27.7
117.07006	8.6
119.08575	80.1
121.10184	26.4
123.11700	28.6
131.08574	24.7
133.10112	43.6
135.08075	21.0
145.10129	45.8
147.11708	25.2
155.34784	8.3
157.10172	9.7
159.11676	34.8
161.13293	52.3
171.11674	14.0
173.13318	16.1
175.14806	100.0
185.13306	11.0
201.16460	27.3
241.19452	12.9
259.20554	62.8
274.49469	8.9
276.42609	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	259.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02036	5.6
55.05500	13.5
57.39482	5.5
66.22662	5.9
67.05504	20.4
68.18137	6.8
69.07065	63.7
71.04989	45.6
72.34689	6.8
76.09503	6.7
77.46370	5.8
79.05495	8.5
81.07043	30.7
83.04995	7.4
83.08628	11.2
84.35522	6.5
85.06532	31.7
91.05476	24.0
93.07036	30.2
95.08613	34.7
97.06525	11.4
103.05517	6.5
105.07025	35.0
107.08577	25.1
109.06531	24.0
109.10157	27.9
111.08092	24.6
119.08578	78.0
121.10156	27.3
123.11707	36.0
131.08572	25.6
133.10129	59.5
135.08070	30.5
142.49745	6.9
143.08546	12.1
145.10126	51.4
147.11696	28.7
156.09297	10.2
157.10132	22.8
159.11700	32.8
161.13217	49.1
163.11319	7.8
171.11674	11.5
173.13216	10.8
175.14792	100.0
185.13289	19.0
201.16374	21.5
203.14279	11.0
241.19427	11.8
257.13071	7.8
259.20587	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21399	3.9
56.05019	4.0
58.06584	3.9
58.83662	3.1
67.28072	3.0
69.03421	5.2
70.06581	11.7
71.73478	3.7
72.08141	11.6
75.10827	3.8
81.03423	11.4
81.04523	11.9
82.04859	5.1
84.04500	17.3
84.08137	100.0
86.09701	49.2
97.02904	4.1
98.92444	3.8
104.10743	6.1
127.05046	15.3
128.05351	5.5
129.10252	13.6
130.05042	15.4
130.08656	13.5
143.11812	11.2
143.48518	4.4
147.07649	14.7
147.11269	19.5
150.78520	3.8
259.16599	11.3
260.05392	11.5
260.11279	7.0
260.17276	9.6
260.19809	17.1
277.35046	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	260.2006
Annotation	4'-Methyl-alpha-pyrrolidinohexanophenone 
Peak:m/z	Relative Intensity
50.91410	1.0
52.62481	1.0
61.67617	1.0
63.85260	1.0
70.67380	0.9
91.05471	1.0
127.77930	1.0
142.56528	1.1
200.14331	42.9
208.50093	1.1
214.15822	1.6
225.70128	1.1
260.20062	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	1.4
56.96561	5.9
57.07072	11.7
60.22777	1.1
70.06582	18.5
71.08621	3.0
74.51385	1.0
75.44361	1.0
88.07616	21.7
102.09193	7.5
106.08657	11.6
123.91167	1.4
124.74113	1.2
135.04379	1.8
136.21820	1.1
139.73363	1.1
145.86293	1.4
172.94243	1.8
190.95374	1.9
193.67415	1.3
195.95865	2.9
213.96953	3.6
218.97719	3.4
236.98457	2.1
242.24768	6.3
260.00104	3.4
260.25824	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0756
Annotation	3,3',4,5,5'-Pentahydroxystilbene
Peak:m/z	Relative Intensity
50.42832	1.0
66.87488	1.1
67.01858	3.1
68.99787	1.5
69.03413	2.9
89.76770	1.3
91.05492	1.6
95.05013	2.6
97.02895	2.3
102.55680	1.2
107.93892	1.1
119.82438	1.1
125.05994	4.5
135.04414	46.9
135.05376	2.3
139.74480	1.1
153.01825	100.0
171.02899	2.1
188.54564	1.4
191.45923	1.3
203.47568	1.3
219.63989	1.4
225.42824	1.5
261.07550	31.4
279.64835	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	261.112
Annotation	Azedararide
Peak:m/z	Relative Intensity
52.61552	1.5
52.63270	1.6
52.83503	1.7
55.01862	1.8
55.05520	2.2
56.96561	2.5
57.07058	3.4
67.05485	2.6
69.03416	2.0
77.62509	1.6
79.05486	8.7
81.03399	2.1
81.07043	10.3
91.05482	8.8
93.07040	2.9
95.01320	100.0
95.04987	3.8
95.08600	4.7
97.06509	4.6
105.07024	16.0
111.04375	2.5
112.16950	2.2
113.02355	2.3
113.69946	1.9
117.07011	4.1
118.85839	1.8
119.08555	5.8
121.06492	3.2
131.04900	3.3
131.08586	6.3
133.06537	7.6
135.04398	3.3
140.70744	2.2
140.76253	1.8
141.06998	2.9
145.06522	4.8
147.08051	8.0
149.09604	13.0
151.07573	6.0
154.07773	2.3
169.10123	3.3
175.07574	5.6
197.09634	3.6
215.10715	6.9
225.09050	4.0
228.12476	2.2
243.10167	23.0
261.11234	7.2
261.14902	3.9
269.09409	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	261.1121
Annotation	14-Hydroxyhypocretenolide
Peak:m/z	Relative Intensity
51.50749	3.7
51.74884	3.3
53.54319	3.3
55.01884	4.0
55.05516	3.0
56.59932	3.2
57.07075	3.2
65.03932	4.6
65.85397	3.3
69.03427	23.5
79.05495	10.9
83.05047	5.0
84.04545	4.7
91.05499	17.3
93.07039	6.9
95.04966	7.4
97.02917	20.1
105.07067	18.8
115.05499	9.0
117.06988	22.0
119.08588	7.8
121.06561	5.3
128.06209	30.5
129.07066	19.2
131.08594	14.4
133.06569	7.5
141.06960	27.7
142.07825	5.9
143.08537	30.7
145.06465	10.8
153.07069	17.7
154.07771	47.0
155.08665	7.7
156.09422	11.7
158.07330	8.1
159.08127	19.5
159.11734	7.9
161.09633	7.9
165.05699	5.4
165.07095	15.8
166.07846	15.3
169.06465	8.4
169.10114	89.6
171.08098	6.5
171.11760	12.0
172.08957	5.3
173.09673	8.6
179.08640	18.8
181.10312	13.9
182.07271	27.2
183.08125	8.6
184.08884	7.9
187.07668	5.2
187.11209	28.1
197.09622	100.0
197.11383	5.1
199.11270	14.4
215.10658	42.2
225.09103	50.7
243.10165	65.0
261.11163	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	261.112
Annotation	14-Hydroxyhypocretenolide
Peak:m/z	Relative Intensity
55.55727	3.3
63.73763	3.2
64.53080	3.5
67.05495	3.9
69.03427	26.8
77.59586	3.4
79.05498	10.9
81.07040	8.1
85.43465	3.3
86.72015	3.4
91.05493	22.2
91.71638	6.1
93.07022	4.6
95.04971	10.0
97.02889	20.5
103.05436	4.1
105.07047	23.6
107.04938	4.9
115.05456	10.4
117.07022	23.2
119.08581	9.3
121.06493	7.7
128.06219	17.7
129.06996	27.7
129.23293	4.0
131.08562	13.7
135.08020	7.9
135.11911	4.5
141.06999	28.4
142.07718	4.3
143.08562	24.7
144.09323	6.8
145.06461	10.5
152.06259	4.7
153.06995	17.1
154.07774	58.6
155.08569	17.2
156.09354	17.7
157.10155	6.5
158.07330	8.0
159.08049	22.2
159.11688	11.7
161.09605	14.5
165.07028	14.4
166.07794	14.1
167.08557	8.4
169.10114	100.0
171.08032	7.8
171.11682	10.1
172.08855	7.7
173.05875	4.7
173.09645	8.6
179.08603	27.0
181.06516	8.5
181.10112	12.1
182.07220	33.2
183.08113	8.1
184.08882	11.6
187.07445	7.2
187.11166	27.2
197.09592	98.4
199.11156	12.5
201.09070	5.1
205.08524	4.2
207.08026	5.0
208.12624	4.2
215.10664	44.4
225.09074	45.2
233.11601	4.9
243.10152	78.1
261.11160	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1119
Annotation	14-Hydroxyhypocretenolide
Peak:m/z	Relative Intensity
56.72689	7.4
57.07065	10.1
58.95882	7.9
67.05499	12.2
69.03415	32.3
72.53963	8.3
79.05457	10.2
83.64301	8.0
91.05456	19.4
97.02898	19.2
105.06999	22.9
105.79955	9.9
117.07046	23.0
119.08595	11.9
120.41377	8.2
121.06510	14.4
121.50916	7.7
123.08013	11.3
123.31347	10.4
128.06233	14.3
129.07022	18.2
129.10201	8.8
131.08607	11.6
133.06503	13.5
140.86256	8.9
141.06985	32.1
143.08566	21.3
148.95190	8.9
152.54361	10.1
154.07773	44.4
155.08543	12.5
156.09369	14.3
159.08090	10.2
165.06984	14.8
166.07707	15.4
169.10114	100.0
171.11682	9.8
179.08545	24.6
181.10121	14.2
182.07278	21.5
187.11230	23.6
197.09634	79.1
202.64760	9.8
205.08679	18.2
215.10576	50.7
217.93944	11.0
225.09059	35.9
243.10162	68.7
261.08685	15.9
261.10931	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1444
Annotation	H-Leu-Glu-OH
Peak:m/z	Relative Intensity
50.28055	0.8
53.04477	0.7
55.05502	4.1
56.05029	2.8
56.96559	1.3
58.06585	1.9
60.04520	1.4
66.66678	0.8
69.07064	7.9
69.42297	0.8
70.06582	2.1
72.04499	1.5
72.08139	1.7
73.06542	1.3
78.95005	1.2
81.03413	1.1
83.05000	1.7
84.04488	9.0
84.08136	36.0
84.96049	0.9
85.02917	1.3
85.08471	2.9
86.09702	100.0
87.10033	1.3
98.06051	3.2
99.32068	0.9
100.11262	4.6
101.06007	8.1
102.05531	2.8
112.07572	1.3
114.05513	1.9
126.09143	8.6
130.05016	4.5
130.08647	11.5
131.05377	1.5
132.10214	1.0
143.11772	2.6
144.10249	1.4
147.28546	1.0
148.06033	14.2
158.11748	29.1
172.09636	1.5
198.11197	1.2
215.17616	2.6
229.03044	1.3
243.10513	1.0
261.05817	5.6
261.09537	1.9
261.14603	5.8
261.18121	21.5
261.20602	1.6
264.76620	1.0
279.87595	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1485
Annotation	Isosericenin
Peak:m/z	Relative Intensity
50.44955	1.3
51.18581	1.3
53.03922	6.6
55.01853	3.4
55.05500	11.3
57.07046	2.7
61.02917	1.6
65.03915	2.8
65.60529	1.1
67.05493	17.0
69.03398	2.4
69.07014	2.0
74.35356	1.5
77.03871	1.7
79.05480	100.0
81.03400	11.4
81.07040	14.3
83.04501	1.8
83.04966	36.6
85.06544	1.7
89.44802	1.5
91.05461	22.3
93.06481	2.4
93.07025	29.8
95.04954	16.9
95.08586	15.0
96.05962	1.4
97.06493	1.4
103.05445	2.7
105.03380	3.6
105.07010	17.7
107.04931	12.2
107.08577	3.8
109.06498	4.0
110.68009	1.4
111.08078	3.7
113.06009	2.1
115.05423	6.7
116.06255	1.9
117.07010	30.9
118.06467	2.3
119.04894	3.3
119.08559	3.5
121.06503	23.4
123.08048	8.8
128.06248	2.1
129.06972	3.3
131.04865	2.0
131.08565	15.0
133.10080	1.8
135.08025	5.3
139.07526	4.0
141.07025	2.9
143.08501	3.2
145.06476	13.0
145.10100	6.2
147.08032	2.1
149.05922	2.5
149.09599	30.8
155.08531	3.9
159.08023	4.4
159.11679	3.3
161.09578	3.0
173.09572	2.3
173.13217	8.9
183.11769	3.2
201.12712	24.7
205.08566	13.1
218.27429	1.9
219.21487	1.5
229.12187	18.1
261.14819	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1485
Annotation	Neosericenin
Peak:m/z	Relative Intensity
56.96551	8.9
57.07069	59.8
57.85490	5.5
60.07719	5.2
65.19019	7.1
67.05472	9.0
67.14905	6.2
77.97245	5.7
81.07050	14.1
84.62331	5.7
85.06526	22.1
88.86362	7.1
91.05469	32.5
93.07030	14.0
95.04977	15.5
103.05428	6.4
105.03391	30.0
105.07034	8.3
107.92187	7.3
109.06516	10.1
115.05490	7.3
117.07014	42.1
123.47664	6.2
128.19713	8.4
129.07016	7.9
136.24548	7.0
137.05968	14.8
141.07025	10.5
145.06534	8.2
201.12775	24.2
217.94847	7.3
229.12192	48.2
261.11005	12.2
261.12134	8.8
261.14880	100.0
281.27524	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	261.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	1.7
57.21332	1.0
57.33466	1.0
60.08155	70.1
65.55579	1.0
66.26937	1.1
99.00486	1.1
99.01247	1.4
105.06985	1.5
108.02815	1.1
109.09601	1.2
109.46236	1.2
117.05760	6.0
129.07013	2.3
130.06546	1.5
132.08081	43.5
137.45041	1.4
141.37457	1.2
143.07294	7.3
156.08087	5.9
157.08881	4.8
158.09665	15.4
160.07561	63.6
184.07613	5.3
187.03922	1.4
202.08615	100.0
208.67801	1.6
218.26022	1.4
233.62590	1.4
261.15933	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58549	48.4
53.92170	45.5
54.06369	43.2
58.06590	100.0
60.00829	49.1
62.47619	45.3
68.54441	45.9
69.99178	44.1
84.08118	66.0
90.73733	49.7
98.06066	63.2
102.60505	50.0
103.18118	53.4
112.14502	57.7
132.45702	53.1
138.82846	66.1
158.11775	66.6
187.65118	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
55.05495	16.2
55.23184	5.2
57.07058	16.5
59.28854	5.2
67.05498	48.6
69.07048	12.8
79.05478	48.4
81.07051	61.3
83.08595	6.6
85.06563	8.8
91.05477	34.8
91.53117	5.3
93.07034	74.2
95.04990	8.0
95.08593	47.2
97.06545	5.9
97.10131	5.9
105.07020	21.7
107.08586	35.6
109.10153	17.2
111.08125	6.3
117.07075	5.8
119.08601	14.8
121.10146	40.2
123.11746	7.4
131.08562	11.9
133.10133	16.8
135.11702	32.5
139.82620	5.4
145.10161	7.7
146.27682	6.3
147.11703	13.2
149.13258	32.1
159.11670	8.0
161.13220	7.4
163.14839	25.5
173.13205	5.8
174.91805	5.4
177.16382	9.9
187.14876	9.4
243.21075	38.2
261.11044	8.9
261.22101	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	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20509	2.8
55.05495	11.6
57.07060	3.8
67.05496	52.4
67.31462	3.4
69.07056	13.3
71.84873	3.0
79.05492	43.7
81.07048	69.6
83.08617	11.2
91.05476	29.0
91.71106	3.8
91.91563	3.3
93.07036	81.5
95.04967	9.5
95.08611	42.5
95.09174	5.5
97.06516	4.5
99.08097	6.9
105.07000	16.7
107.08598	46.9
109.10181	15.5
111.08090	5.2
117.07026	7.6
119.08572	18.3
121.10146	39.4
123.11723	4.2
131.08551	17.1
133.10127	15.7
135.11691	32.7
135.50893	3.4
145.10132	16.5
147.11713	12.2
149.13237	25.8
159.11655	5.5
161.13246	15.1
163.14818	25.1
173.13298	13.9
177.16386	10.4
187.14861	5.0
187.56854	3.2
218.05627	3.6
243.21019	39.1
261.22107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
55.05502	17.2
56.40636	3.5
57.03426	5.2
57.07058	10.2
57.54074	3.6
67.05493	46.6
69.07059	11.4
70.02553	3.7
78.71592	4.3
79.05483	55.0
80.82648	4.5
81.07054	59.8
81.07494	7.2
83.08609	9.5
85.06530	6.0
90.11762	3.8
91.05478	35.8
91.71060	9.9
93.07038	77.2
93.07572	7.3
95.04971	8.9
95.08601	42.3
97.06487	4.7
97.10105	4.2
99.08064	6.2
105.07025	20.4
107.08587	55.0
109.10172	17.6
111.08134	4.5
117.07043	6.7
119.08595	14.3
121.10115	46.6
123.11662	5.6
131.08589	8.2
133.10153	18.2
135.11674	30.0
137.09666	4.8
145.10088	13.5
147.11670	7.9
149.13254	35.5
159.11723	14.7
161.13222	14.8
163.14787	31.4
165.12723	5.1
165.63403	4.7
173.13248	11.5
175.14871	8.6
177.16379	8.2
187.15007	9.8
243.20976	33.1
261.22107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	5-(1-oxopropan-2-yl)isolongifol-5-ene
Peak:m/z	Relative Intensity
52.01316	7.8
55.05502	10.7
57.07079	20.8
60.60860	7.2
66.34532	6.5
67.05496	47.9
69.07048	11.3
79.05476	33.7
81.07031	59.3
91.05470	39.8
93.07037	78.2
93.54261	7.5
94.78112	7.5
95.04950	9.6
95.08602	43.0
99.08085	9.7
105.07014	22.7
107.08597	35.7
109.10164	15.8
119.08559	13.4
121.10151	41.8
131.08595	12.3
133.10118	11.4
135.11696	36.0
145.10126	18.1
147.11652	16.5
149.13239	12.2
161.13229	16.2
163.14813	25.5
205.14165	20.7
243.21123	38.6
244.16179	9.0
248.98312	8.7
261.22147	100.0
280.55060	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	261.2212
Annotation	5-(1-oxopropan-2-yl)isolongifol-5-ene
Peak:m/z	Relative Intensity
53.97884	5.6
55.05508	15.1
57.07066	8.4
62.88894	5.8
67.05499	48.9
69.07050	17.6
79.05482	39.0
81.07052	62.5
83.08622	7.4
85.06572	9.4
91.05465	37.8
92.18769	8.4
93.07042	58.4
95.08588	41.7
105.07060	20.7
107.08575	35.3
109.10164	16.1
117.07009	10.0
119.08591	12.5
121.10133	46.9
124.72482	8.4
131.08585	12.7
135.11723	24.4
145.10112	12.8
147.11658	9.4
149.13268	17.5
161.13196	13.4
163.14850	23.3
173.13271	10.2
177.16319	11.5
243.21117	23.1
261.22122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.32249	5.6
55.05502	13.6
57.07048	7.4
59.60596	5.1
67.05493	60.4
69.07059	13.9
70.50783	4.6
79.05486	52.8
81.07043	63.2
91.05491	34.4
93.07030	69.4
95.04951	11.2
95.08592	43.3
105.07008	21.3
107.08617	50.8
109.10143	21.4
111.08023	6.5
117.06985	6.7
119.08592	12.6
121.10139	52.1
131.08556	20.3
133.10118	9.2
135.11694	31.8
145.10158	12.6
147.11673	7.5
149.13239	35.6
153.59921	6.2
159.11722	10.5
161.13239	17.8
163.14825	29.5
173.13248	11.7
175.14825	11.1
177.16432	7.6
185.86926	7.4
187.14673	13.0
229.06464	8.0
241.70119	5.8
243.21048	49.0
261.22107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1436
Annotation	3',4'-Methylenedioxy-alpha-pyrrolidinobutiophenone 
Peak:m/z	Relative Intensity
52.59643	1.1
56.96537	2.3
57.07043	2.8
64.70129	1.2
101.92640	1.4
104.99261	2.1
138.97351	1.4
146.06001	2.5
202.12241	2.4
203.13052	6.5
206.08107	3.9
214.79118	1.4
232.09665	3.3
234.89444	1.4
244.54160	1.9
246.11200	18.2
247.11990	12.0
262.14355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2375
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
52.45530	1.2
56.17544	1.6
57.07062	11.3
58.06578	5.5
58.59109	1.4
60.00555	1.5
70.06581	23.6
71.08604	6.1
75.05866	1.5
88.07617	29.4
89.63291	1.6
90.25304	1.8
91.71689	3.0
93.97570	1.5
102.09175	19.9
111.27194	2.1
126.00623	1.6
139.19823	1.8
168.79068	1.7
200.20088	48.2
244.22614	3.1
262.23746	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2376
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
53.62626	0.6
55.05503	1.0
56.04766	1.0
56.05030	12.8
56.96548	1.5
57.07071	10.9
58.06339	1.0
58.06598	10.4
59.10232	1.3
60.04520	4.0
68.05022	1.0
69.07062	1.2
70.06572	0.8
71.08627	3.7
74.06074	15.3
84.62605	0.7
85.10164	2.3
86.06060	2.5
88.07621	50.5
91.71729	1.4
95.08576	1.0
96.14722	0.7
97.02875	0.8
104.07098	0.7
104.99277	3.5
110.03699	0.7
118.08661	8.7
122.08125	8.2
125.94156	0.8
139.03613	0.7
162.79178	0.7
177.44505	0.8
180.97845	0.8
200.20210	1.5
214.21648	51.5
221.16182	1.0
244.22742	2.0
252.67014	1.0
262.23749	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96130	1.2
57.07074	9.3
57.29566	1.0
62.38272	1.1
70.06239	1.6
70.06581	20.7
71.08606	6.1
73.12946	1.1
73.18474	1.1
75.96162	1.0
79.08660	1.2
80.80595	1.3
84.08131	1.7
88.07622	20.5
102.09204	1.7
106.08635	2.9
114.09179	7.7
118.08614	1.6
132.10191	29.5
150.11237	22.0
218.21042	7.1
225.75163	1.4
262.23737	100.0
263.67139	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73935	33.4
60.11811	37.5
64.30517	39.6
69.72043	35.0
70.06598	46.6
79.81774	32.8
80.13205	40.9
96.29496	35.3
101.00912	43.1
107.60411	40.4
119.01963	85.2
131.01924	62.4
161.02963	87.7
184.04636	100.0
246.05148	49.4
263.01578	82.2
263.05798	82.5
265.52917	45.9
271.15134	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	10.0
56.96563	14.6
57.07064	10.8
67.10387	7.2
68.99777	8.5
69.03431	9.6
74.45815	8.5
77.07008	8.7
81.07045	10.1
85.85081	9.5
91.05493	15.7
98.97629	18.0
102.78773	8.5
146.05989	13.7
150.65312	11.4
181.02940	13.8
185.31276	10.3
235.09259	10.3
235.96327	9.8
263.05219	100.0
280.27164	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	263.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29518	3.4
60.08034	2.8
62.54893	3.0
70.06573	3.8
75.87823	3.5
81.29546	3.2
91.71072	7.0
101.00861	19.8
113.00906	3.9
119.01906	46.4
124.02446	12.1
125.13815	4.2
131.01868	18.8
136.02475	7.3
142.03508	28.1
143.01888	51.3
154.03520	15.4
155.01924	14.5
157.03439	6.6
160.04599	4.9
161.02950	70.3
165.05115	6.6
173.02924	29.6
177.05026	6.4
184.04536	100.0
191.03987	12.6
196.04559	26.9
203.03990	21.5
206.45407	4.0
208.04523	7.5
214.05617	17.6
221.05101	3.7
233.04832	5.0
244.06657	10.3
263.06064	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.061
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70417	3.3
72.58823	3.5
85.71402	3.1
99.94779	3.2
101.00877	14.1
103.27902	3.7
103.81555	3.2
119.01923	40.1
124.02489	11.4
126.85676	3.7
131.01897	12.1
137.02980	5.3
142.03503	27.3
143.01883	34.8
145.03517	3.8
154.03455	8.0
155.01926	10.5
157.03474	7.1
159.37076	4.0
161.02928	57.8
165.05164	11.3
173.02988	9.5
174.98582	3.8
178.23706	4.0
180.05061	5.2
184.04544	100.0
184.06093	6.9
191.04089	5.8
196.04617	17.2
203.04024	23.2
214.05591	10.7
221.05182	3.9
226.05519	4.3
244.06635	9.7
263.06128	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1279
Annotation	Ferulidin
Peak:m/z	Relative Intensity
54.82149	2.0
55.01865	2.9
55.05501	4.5
56.96558	5.1
57.07056	2.2
67.05507	12.1
69.03416	4.3
75.72218	1.9
79.05483	5.4
80.72688	1.9
81.03411	6.4
81.07048	16.7
91.05474	14.8
91.71518	5.2
93.07043	7.0
95.01323	100.0
95.04945	2.7
95.08607	13.3
104.99267	11.3
105.07013	7.4
107.08582	29.2
109.06507	4.0
109.10161	6.0
116.98528	2.5
121.10090	2.1
129.07004	4.5
131.08572	6.8
135.08049	44.1
140.00189	3.8
141.06966	3.2
143.08568	3.4
143.59796	2.2
145.10263	2.2
147.08070	4.0
149.05911	4.7
149.09645	11.9
151.04015	2.3
156.09404	2.3
159.08067	9.0
165.06844	2.6
166.07765	3.3
171.08131	4.5
181.02844	4.1
181.10184	3.1
199.11154	16.9
209.09558	6.2
217.12265	3.8
222.00526	4.5
227.10660	31.6
245.11693	12.7
263.12866	2.6
263.23761	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	263.1277
Annotation	Ferulidin
Peak:m/z	Relative Intensity
55.05502	2.8
57.07067	2.6
63.70707	1.9
64.94677	1.9
65.03909	3.2
66.57510	1.5
67.05497	16.6
67.52454	1.9
69.03416	11.5
70.10788	1.6
73.34808	1.7
74.99632	1.6
79.05473	20.5
81.07049	7.2
82.24233	1.8
83.04958	5.3
85.13965	1.9
91.05472	23.8
91.12914	1.7
93.07042	8.8
95.04958	25.1
95.08591	3.5
97.02876	7.6
97.06496	3.4
103.11652	2.3
105.07026	27.8
107.08582	10.3
109.06517	5.7
111.04446	7.3
115.05442	3.8
117.07030	6.2
119.08569	34.3
120.09364	4.0
121.06487	16.5
123.04427	5.9
123.08097	2.0
125.05999	2.2
128.06226	4.3
129.07008	7.7
131.08549	15.2
133.06487	7.0
135.08046	84.3
137.06042	3.5
141.06946	3.4
142.07828	2.9
143.08598	13.6
145.10100	5.2
147.08081	6.3
148.08818	8.1
151.07568	2.6
153.06946	2.3
155.08574	5.6
156.09271	9.4
157.06519	2.6
157.10104	3.0
159.08028	6.1
161.09612	3.3
165.07024	3.7
166.07776	5.7
167.08551	2.4
168.09322	3.3
171.08099	2.0
171.11728	12.5
173.09665	3.9
173.13295	2.3
181.10085	9.6
183.11734	2.1
184.08832	3.8
189.09137	2.1
199.11223	15.3
209.09785	2.6
217.12212	25.0
227.10600	16.3
245.11707	100.0
263.12744	14.3
283.65686	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1278
Annotation	Strychnistenolide
Peak:m/z	Relative Intensity
53.03949	2.4
56.96560	6.3
57.85835	2.3
67.05494	14.9
69.03436	15.7
72.81858	2.8
79.05473	16.1
81.07046	12.5
91.05466	39.1
93.07030	17.6
95.04996	14.5
95.08588	14.8
97.02886	36.1
103.05441	4.5
104.99259	5.6
105.07026	69.3
105.07693	4.9
107.04971	2.6
107.08595	45.6
109.06508	6.9
111.04424	31.1
111.08030	4.3
115.05468	3.3
117.07026	7.3
118.28824	2.8
119.08575	51.5
120.09350	5.9
121.06493	10.8
121.10161	5.9
123.04440	4.5
123.08089	13.7
128.06221	3.8
129.06987	9.8
131.08588	7.3
133.06490	22.5
135.08055	17.0
137.05956	7.4
141.06985	4.4
142.07791	6.4
143.08569	19.4
145.06454	3.1
145.10075	6.0
146.56566	3.5
147.08043	57.8
148.08832	5.0
149.09683	4.5
151.07542	9.0
155.08629	3.7
156.09364	18.1
157.10138	11.5
159.08047	5.5
161.09622	4.9
161.13243	4.2
165.09149	8.7
171.08023	3.4
171.11668	30.4
175.11206	3.4
181.10139	4.8
185.09636	11.2
189.12724	5.5
199.11191	38.0
203.10754	10.5
217.12181	37.9
220.88945	3.1
222.00873	3.6
223.61104	3.0
227.10703	12.5
245.11707	40.6
263.12750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1278
Annotation	(+)-Clavicoronic acid
Peak:m/z	Relative Intensity
54.79399	2.4
55.01857	3.2
55.05497	10.6
56.96570	2.5
57.05804	2.3
60.25372	2.4
61.79244	2.1
66.31825	2.2
67.05496	6.2
69.03416	7.8
70.06567	4.3
72.08149	100.0
73.61308	2.4
75.29075	2.5
79.05473	7.4
81.07037	5.9
83.04987	4.5
91.05477	14.1
95.04967	7.5
95.08614	3.6
97.02915	3.9
105.07021	16.9
107.08562	6.4
109.02878	5.3
111.04444	9.3
111.68420	2.5
115.05447	3.8
117.06971	4.7
119.08601	11.6
121.06531	3.7
128.06187	6.0
129.06992	11.8
131.08554	19.3
133.10165	4.7
135.08057	4.3
141.07008	8.0
142.07802	12.6
143.08575	8.0
144.09354	4.7
145.06494	4.4
145.10094	6.0
147.08081	8.7
147.11711	3.7
156.09351	15.1
157.10094	12.2
159.08054	5.7
159.11687	9.7
160.08835	3.6
161.06033	4.4
161.13091	3.3
169.06555	2.9
171.11707	11.1
173.09648	3.6
175.07413	3.6
175.11189	11.1
179.62642	2.7
184.08974	3.8
185.09654	7.5
188.08368	5.1
189.12712	9.3
199.11214	15.8
201.12755	3.9
202.10043	3.0
203.10661	6.5
208.25259	2.8
217.12267	13.6
227.10687	12.0
235.13330	4.1
241.98615	2.8
245.11703	11.9
263.12939	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	263.1276
Annotation	Complicatic acid
Peak:m/z	Relative Intensity
52.53360	6.3
57.07082	23.5
57.59758	7.0
59.05012	12.6
63.35820	6.9
67.05518	31.5
69.03440	17.8
76.03576	7.9
79.05474	13.7
81.03408	100.0
81.07061	18.6
83.04999	22.3
85.06572	8.7
91.04997	7.1
91.05453	44.6
92.54975	7.7
93.07024	65.1
95.04986	25.0
95.08620	22.9
97.02950	8.5
100.32986	7.8
105.06976	9.7
107.08611	17.6
109.02908	36.7
109.06554	10.6
109.10197	11.7
111.08092	19.4
117.07024	14.8
119.08567	14.0
121.06487	78.5
128.06255	10.1
133.06508	16.5
135.08093	29.0
137.05968	19.1
137.09648	17.0
143.08562	11.4
145.10197	10.1
147.08147	14.3
149.05978	16.8
159.08076	18.1
161.06033	33.7
163.07591	23.5
175.07478	40.6
177.09186	11.6
189.05576	18.2
196.90337	9.1
199.11217	18.3
203.07104	23.8
203.10777	9.8
205.08542	18.7
210.67664	10.1
217.12215	39.4
245.11726	62.1
263.12756	70.6
275.98996	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	263.1277
Annotation	Shizukanolide F
Peak:m/z	Relative Intensity
55.05500	4.2
58.53828	2.0
67.05490	8.7
69.03416	10.9
79.05483	8.3
81.03404	8.5
81.07061	14.1
83.04967	28.4
85.02907	19.9
91.05482	19.5
92.56559	2.8
93.07022	12.4
95.04947	11.8
95.08591	6.2
105.07023	27.9
107.08594	19.6
109.02833	3.3
109.06503	11.9
109.10179	8.2
110.87967	3.1
111.04391	3.4
113.02359	38.1
115.05431	5.8
117.07014	10.2
119.08578	15.5
121.06518	17.1
123.04440	7.3
123.08069	6.0
123.11700	5.3
128.06218	3.5
129.06975	7.3
131.08592	10.5
133.06470	19.2
133.10152	6.6
135.04445	3.0
135.08046	35.3
136.08856	3.0
137.05963	7.9
141.07001	7.6
142.07764	6.3
143.08591	12.4
145.06497	5.9
145.10196	5.9
147.08072	8.4
147.11653	4.0
149.09581	13.2
151.11179	25.4
154.04970	3.5
155.08539	3.0
156.09364	22.0
157.10110	8.7
158.07266	5.5
159.08061	9.5
159.11702	6.3
160.08827	7.3
161.05984	25.3
161.09631	9.2
163.07545	11.4
165.06947	3.1
169.06377	3.9
171.08179	4.3
171.11710	17.4
173.09560	4.6
175.07503	17.2
175.11171	24.6
177.12828	5.5
179.07071	3.3
181.10155	5.9
184.08862	14.0
185.09622	8.7
187.07605	5.5
187.11092	6.6
188.08307	6.3
189.05492	7.7
189.09134	5.8
189.12720	16.1
193.08623	11.3
199.11168	36.0
201.12772	3.1
202.09904	6.5
203.10654	24.1
207.06552	7.8
209.09715	4.4
212.08304	11.2
217.12212	34.6
217.14177	3.5
221.11696	2.5
224.84709	2.5
227.10660	38.5
233.11732	7.3
243.84406	2.9
245.11708	100.0
263.12769	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1424
Annotation	H-Ile-Met-OH
Peak:m/z	Relative Intensity
53.73959	1.2
56.05026	2.6
56.96544	2.8
66.91548	1.4
69.06778	1.3
69.07063	13.8
69.69932	1.3
84.04486	2.1
84.08081	1.8
85.02898	2.2
86.09696	100.0
91.05464	3.4
101.06000	1.7
103.61833	1.4
104.05314	4.2
110.07169	1.8
110.42982	1.4
111.04436	3.5
117.03757	2.2
120.08135	1.4
129.05458	1.5
130.04974	3.3
131.52428	1.6
133.03209	3.1
150.05829	9.1
154.59206	1.4
193.93773	1.4
233.54831	2.0
263.06607	1.8
263.14182	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	263.1428
Annotation	H-Ile-Met-OH
Peak:m/z	Relative Intensity
55.05493	1.5
55.93513	1.4
56.05024	2.4
56.96543	1.3
60.47900	1.1
67.05491	1.8
69.03420	1.5
70.06584	11.7
72.08140	1.4
79.05470	1.0
80.00455	1.0
81.07056	2.3
83.04996	2.1
84.04529	1.9
84.08125	1.5
85.02859	1.4
85.06531	2.6
86.09700	100.0
94.13147	1.0
94.18954	1.1
95.93411	1.4
99.08105	1.5
101.06055	1.3
104.05325	3.8
115.54570	1.0
117.07002	1.0
119.29620	0.9
120.08144	1.6
124.11240	1.8
127.37525	1.2
129.05453	1.7
129.07022	1.2
130.05014	1.6
133.03157	2.6
145.06512	1.6
149.09657	1.6
150.05836	11.7
169.13422	1.8
187.37656	1.3
199.11082	1.4
204.06895	1.3
208.74658	1.1
263.14307	6.6
268.98892	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1426
Annotation	H-Met-Leu-OH
Peak:m/z	Relative Intensity
50.85226	1.4
55.05503	2.2
56.05030	77.3
56.78233	1.4
61.01145	44.5
68.41819	1.8
69.03399	1.8
69.07059	1.9
70.06578	8.1
70.69408	1.8
70.79887	1.6
74.06065	8.0
80.54404	1.8
81.74450	1.6
83.04983	2.3
84.04477	2.4
84.08147	2.6
85.02951	1.9
85.04045	1.8
86.09704	12.6
91.05468	2.7
104.05324	100.0
105.07052	2.1
107.79714	1.9
109.70618	1.8
113.10738	1.7
116.07076	15.5
120.08103	22.7
125.88604	2.2
130.06508	2.7
131.08690	1.6
131.91556	2.0
132.10202	8.2
132.90263	2.0
136.86603	1.7
150.82576	1.9
158.06090	3.1
215.13957	5.2
263.14163	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	263.164
Annotation	Acutifolone A
Peak:m/z	Relative Intensity
53.03931	7.2
55.01858	1.7
57.06798	2.4
57.07065	36.2
59.04988	3.8
61.82149	1.4
67.05486	8.6
69.07066	3.3
76.59492	1.5
79.05481	100.0
81.03396	10.9
81.07050	15.1
83.04975	3.7
85.06535	19.6
85.39263	1.6
85.86629	1.9
91.05464	14.3
93.07036	5.3
95.04947	14.7
95.08600	20.3
103.05488	2.0
105.03365	2.3
105.04510	2.1
105.07034	5.2
107.04927	10.3
111.08081	2.9
113.05994	3.6
117.07038	3.4
119.04909	1.9
119.08546	10.8
123.08089	7.8
125.09599	8.9
128.06206	2.0
129.06990	5.1
131.04877	2.1
131.08624	3.4
137.05983	2.9
137.09619	6.6
138.93214	1.9
139.07542	4.7
143.08604	3.3
147.08047	5.4
151.11212	11.1
162.80725	1.8
163.11145	4.1
175.11186	2.6
179.10649	2.3
198.52368	2.0
203.14285	44.6
231.13768	41.6
231.15849	3.5
263.16394	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	263.164
Annotation	Versiol
Peak:m/z	Relative Intensity
55.01881	6.7
55.05508	15.5
59.89250	4.2
61.54369	6.1
67.05518	18.3
69.03420	6.8
69.07069	13.2
70.06586	13.7
72.64993	5.5
79.05496	12.6
81.03422	14.5
81.07080	22.3
83.04972	13.5
88.07676	8.0
91.05453	33.0
91.69765	5.3
91.71069	9.6
93.07054	18.6
95.04976	11.6
95.08628	11.3
105.07018	27.8
107.04984	21.7
107.08633	6.2
109.06513	6.6
109.10190	7.4
119.05043	5.5
119.08635	20.9
121.10196	6.1
129.07037	13.6
129.54604	5.9
131.08582	12.5
132.10260	18.2
133.06554	22.4
135.99571	6.8
143.08606	15.5
145.06549	9.9
147.08070	19.6
149.09598	8.2
150.11285	8.6
151.03867	48.7
157.10191	15.7
161.06042	9.7
161.09633	10.4
171.11745	9.1
179.10770	7.1
199.14851	7.1
201.12675	7.7
217.12280	11.2
221.11789	8.4
227.14409	19.2
245.11847	11.2
245.15431	21.9
262.23700	29.4
263.13596	11.7
263.16312	100.0
263.24234	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1642
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
55.01862	4.7
55.05503	32.0
56.96558	6.8
59.93513	4.6
65.03929	5.4
68.29578	4.4
75.91026	4.3
79.05489	11.9
81.07057	30.7
82.12852	5.4
83.08603	43.9
91.05463	16.7
93.06993	8.9
95.05009	5.9
95.08612	8.5
104.99257	39.4
105.03368	6.6
105.07040	13.4
107.04951	14.0
107.08562	17.9
109.06512	36.8
109.10117	4.7
116.98629	8.0
119.08583	7.9
125.09550	6.6
131.08487	5.5
133.06483	10.4
133.10164	5.3
135.04446	5.3
137.06017	5.8
139.11224	8.3
140.00162	9.9
147.04449	6.1
147.08028	7.0
151.03906	100.0
158.01277	10.9
158.35701	4.8
161.05984	10.3
179.07126	13.3
180.97874	7.5
181.02846	20.3
222.00546	16.4
222.15271	5.4
223.87167	6.3
231.12711	5.6
237.89023	5.1
243.32777	5.6
245.15346	19.1
263.16342	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	263.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.7
55.26000	4.2
56.96354	3.9
56.96561	51.5
61.70343	4.8
67.05485	7.4
67.85303	4.2
69.07050	7.5
74.22160	4.4
79.05463	16.2
81.07048	33.4
83.04961	7.3
89.26015	5.0
91.05469	12.0
93.07037	13.9
95.08588	12.5
97.99173	10.4
105.07012	24.9
107.08614	14.4
115.00600	5.1
118.62816	4.7
119.08558	10.1
128.06213	5.3
129.06953	7.2
131.08583	6.4
131.09839	6.0
133.06497	7.4
135.02678	5.0
145.10046	6.4
157.10118	9.3
161.09483	6.2
165.06941	6.8
169.10136	7.5
171.11665	10.1
179.08563	7.2
182.83136	5.1
192.09398	13.8
193.10199	14.1
195.11740	9.3
206.10835	6.2
206.62929	5.7
207.11652	28.0
221.13258	19.0
225.01855	13.2
233.13281	12.0
235.14818	7.3
245.11876	6.0
263.12906	6.5
263.17981	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39710	7.3
51.88554	7.2
52.08996	7.3
55.05508	9.4
57.07067	43.8
60.72189	8.8
65.53996	10.1
67.05495	92.1
69.07050	17.9
71.08618	19.6
79.05488	25.8
81.07042	94.4
83.08606	23.1
85.06549	19.2
85.10150	10.0
87.12693	10.2
89.47503	10.8
90.02271	8.7
91.05480	45.8
91.60653	10.0
93.07061	22.3
95.08582	56.8
97.10133	10.6
100.37785	12.6
101.67497	9.1
104.99274	50.1
105.07037	24.7
107.08588	30.1
109.10184	38.2
113.09810	10.3
119.08582	28.2
121.10173	32.8
123.11698	13.7
133.10152	34.5
135.11731	25.6
137.13243	12.2
140.00316	15.0
147.11662	22.8
161.13239	16.2
167.15892	10.7
181.02945	35.5
207.62697	11.7
216.19778	12.4
222.00558	35.8
245.22632	50.0
245.63284	12.5
263.23660	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	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05495	16.8
56.45045	8.2
57.07066	36.4
61.30321	8.3
67.05497	86.9
69.07047	16.5
71.08620	14.6
81.07040	100.0
83.08606	28.9
84.00934	9.0
85.10171	12.5
91.05479	46.6
93.07016	30.6
95.08579	62.5
105.07012	26.7
107.08565	16.6
109.10143	12.4
119.08582	32.1
121.10144	34.3
123.11691	22.3
126.98470	10.3
133.10081	29.4
134.46068	10.6
137.13202	13.8
142.69914	11.1
145.49789	10.5
146.68074	9.2
161.13290	21.3
175.14818	18.0
210.39615	12.6
221.98738	13.7
245.22668	52.8
263.23557	53.0
264.43573	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	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03933	2.9
55.05507	16.3
55.40139	2.8
57.07058	12.8
67.05495	79.8
69.07047	13.9
71.08612	4.1
73.95931	2.8
79.05482	22.4
79.09893	3.0
81.07047	100.0
83.04963	35.2
83.08608	9.5
83.33692	2.9
85.06527	5.5
91.05488	22.8
93.07042	26.6
95.04934	5.4
95.08596	84.4
97.06522	7.4
97.10146	5.9
104.99261	9.3
105.07019	16.6
107.02884	3.3
107.08564	17.8
109.10148	33.6
111.08074	5.4
113.23225	3.4
119.08579	15.6
121.10138	16.4
123.08025	7.1
123.11694	17.7
125.09693	3.6
129.07011	3.4
133.06445	3.6
133.10127	13.3
135.11665	10.8
137.13310	6.0
140.00241	3.5
140.60266	3.1
147.11671	10.0
151.14819	5.6
161.06017	4.0
161.13249	10.4
163.14792	6.5
165.16367	8.6
169.07652	4.7
175.14813	7.5
189.16293	5.3
190.15375	3.7
203.14331	10.3
216.09149	3.9
222.00665	3.7
231.13751	5.2
245.22649	23.5
263.12665	5.1
263.23712	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	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.96791	2.8
55.05494	17.0
57.07056	15.4
62.71401	3.2
63.25000	3.4
67.05493	83.1
69.07046	14.2
71.08604	5.1
73.20391	3.4
79.05483	18.8
81.07047	100.0
83.04988	4.5
83.08609	15.0
85.06528	4.6
91.05464	17.2
93.07031	22.2
95.08598	71.0
97.06528	5.9
97.10158	4.3
99.08094	6.9
104.99252	8.9
105.07027	12.0
107.08590	20.9
109.10147	32.2
113.09692	3.9
117.00024	3.5
119.08577	10.2
121.10127	15.0
123.11726	15.6
131.08519	4.6
133.10092	9.4
135.11685	6.3
137.13205	6.5
142.53304	3.5
147.11684	7.0
149.13226	6.9
151.14833	6.1
161.13252	8.0
163.14761	8.4
165.16347	10.1
171.79451	3.8
189.16437	6.0
217.12198	4.7
245.22540	28.0
248.53651	3.7
263.14703	7.4
263.23737	42.4
275.24829	4.2
281.05597	4.1
281.15244	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	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.63595	3.5
55.05507	15.1
56.96556	7.1
57.07072	19.9
59.28214	3.3
65.03905	4.4
67.05495	89.8
69.07056	15.9
79.05501	14.8
81.07045	100.0
81.45555	3.5
83.07198	3.8
83.08611	14.7
84.18721	3.2
85.10182	4.9
91.05464	13.0
92.41315	4.7
93.07028	20.1
95.04984	5.1
95.08593	80.3
97.06496	4.4
97.10153	9.6
97.27751	3.9
103.82973	4.0
105.07025	8.2
106.82281	4.7
107.08599	11.7
109.10149	42.4
113.29247	3.8
114.93394	4.2
119.08566	12.3
121.10155	14.8
123.11717	12.4
129.46252	4.4
133.10136	16.5
136.32600	5.1
137.13300	5.2
147.11780	9.4
149.13298	10.0
151.14760	5.8
161.13278	6.3
163.14781	7.5
165.16422	14.7
204.67314	4.6
210.47383	4.3
212.68993	4.7
222.38609	4.3
245.22668	30.3
263.23618	39.5
273.02557	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	263.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78394	6.2
55.05503	10.3
57.07068	13.0
58.54153	6.6
63.15941	7.6
67.05501	81.8
69.07053	18.5
71.08638	7.0
73.66076	7.0
78.73032	6.2
79.05485	10.3
81.07047	100.0
83.08588	12.0
91.05460	10.4
93.07015	20.8
94.85620	6.7
95.04942	6.9
95.08592	58.1
105.07005	8.7
107.08572	8.3
109.10142	43.5
111.08012	7.3
116.64682	6.2
119.08556	11.1
121.10152	16.7
122.21384	8.6
123.11737	15.8
123.74424	7.1
135.11742	9.4
149.13275	6.9
151.03970	15.4
165.16350	11.6
245.22594	22.9
263.23694	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	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.97588	3.9
55.05494	14.2
57.07052	13.7
57.90501	4.0
65.03927	6.2
67.05493	76.9
69.07055	16.5
71.08611	5.4
79.05476	17.7
81.07046	100.0
83.08600	12.0
91.05473	17.2
91.71045	6.0
91.75198	3.9
93.07029	19.4
95.08598	68.5
95.09159	6.4
104.99267	24.4
105.07035	12.1
107.08585	13.3
107.10580	5.7
109.10127	31.2
111.08060	9.0
119.08562	11.8
121.10175	16.8
123.11717	14.4
133.10144	14.2
135.11679	6.8
137.13260	5.7
140.00250	6.7
145.98677	4.8
147.11653	6.5
159.01250	5.2
161.13205	5.6
165.16457	9.2
181.02808	5.4
222.00380	8.6
226.51225	5.9
245.22594	20.3
263.23657	42.3
284.70535	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	264.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	100.0
67.05487	4.2
70.06575	6.7
72.08138	4.2
81.03390	4.8
83.05017	2.9
84.04498	7.2
84.08115	2.7
86.09698	3.5
88.11263	2.8
88.26131	2.9
97.99182	12.1
98.97576	8.1
99.04438	2.5
101.85227	2.2
102.08629	2.5
107.04941	2.8
109.02847	4.0
110.07139	5.5
116.98604	3.2
123.19197	2.3
130.05009	2.9
134.99687	3.3
139.01828	4.5
140.00185	3.0
158.01195	6.0
176.03786	13.2
178.05370	14.7
181.02853	6.5
196.06483	7.4
202.10713	4.7
202.45355	3.2
217.06610	3.3
219.08023	16.9
222.04414	10.5
240.05447	9.5
245.05922	34.7
263.07095	9.3
264.05374	15.9
264.12457	9.7
286.08542	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	264.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.4
56.05021	9.9
58.27263	2.4
60.04520	100.0
67.05499	16.4
69.07054	5.3
70.06582	12.6
71.04981	7.1
72.06349	2.7
76.67938	3.3
79.05483	11.9
81.07048	10.7
82.06564	4.3
83.04990	5.1
84.04532	4.4
84.08130	4.1
85.02907	5.2
85.06515	4.1
86.09715	5.4
91.05492	17.5
93.07037	17.9
95.08594	8.8
96.08115	3.2
97.06506	4.4
98.06053	4.9
105.07027	11.9
107.08586	9.8
109.06522	5.4
119.08588	6.0
121.10126	6.2
131.08588	6.2
133.10126	19.6
133.29648	3.6
135.11722	4.0
143.65402	3.8
149.09576	4.1
157.10132	6.5
175.11217	8.4
185.11740	3.4
193.12213	5.8
198.14990	5.7
210.14900	8.5
228.15912	20.1
246.17014	32.0
247.16974	3.5
264.08362	8.0
264.18036	51.2
265.17642	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	265.1116
Annotation	Thiamine
Peak:m/z	Relative Intensity
51.61192	0.7
60.90493	0.6
69.61447	0.6
72.79432	0.6
75.17295	0.8
78.37064	0.8
80.04998	0.8
81.04532	14.2
85.02892	1.6
122.07139	100.0
126.03733	1.6
127.33902	0.8
140.44969	0.7
144.04770	26.5
144.05875	1.8
146.03879	0.8
187.02936	0.8
265.08847	1.3
265.11398	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	2.9
56.96555	7.0
57.27635	3.0
59.05006	4.4
67.05510	6.0
69.07076	5.6
70.06577	14.9
72.08142	5.4
81.44952	3.7
81.96618	3.4
84.04514	5.7
84.08129	5.2
86.09707	16.7
91.05466	5.5
93.07042	10.1
95.04952	5.3
103.05461	7.4
105.07017	3.7
108.08167	3.1
114.32501	4.1
118.08681	3.8
120.08092	100.0
129.26498	3.4
131.08524	3.1
136.07603	5.9
139.03864	4.2
188.07086	4.3
206.95572	3.6
265.13092	27.0
283.34503	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	265.1433
Annotation	2-trans-abscisic acid
Peak:m/z	Relative Intensity
53.03970	12.5
55.01862	11.4
57.07075	100.0
59.05014	23.0
67.05502	27.3
71.05008	15.1
79.05504	46.9
81.03429	16.1
81.07056	23.1
83.04995	11.5
85.06567	42.3
87.04462	29.5
88.42677	15.0
91.05508	24.5
91.70913	25.8
93.07067	37.8
95.05003	49.9
95.08630	17.9
95.61260	12.2
97.02940	16.7
99.04502	20.4
105.07051	29.9
107.04988	27.3
107.08674	14.5
117.07048	29.0
121.06535	20.8
123.04416	23.2
123.08117	23.0
131.04987	12.3
131.08716	15.4
135.08084	32.0
137.06047	19.0
137.09636	21.0
140.76631	14.8
145.06519	47.3
159.08109	16.9
163.07521	24.5
163.11168	29.6
165.32771	13.4
177.12828	14.2
205.12219	73.1
219.13939	46.5
229.12384	19.5
247.13412	58.0
265.14478	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	265.1433
Annotation	ABSCISIC ACID
Peak:m/z	Relative Intensity
53.50507	5.7
55.01867	6.9
57.07074	47.6
59.04973	11.7
67.05488	15.2
69.03439	13.0
70.07626	6.4
79.05478	100.0
80.58266	7.4
81.07040	11.5
85.06536	25.3
85.74880	7.3
87.04436	15.1
89.63448	6.0
91.05470	39.9
91.71613	6.8
93.07052	15.4
95.04973	30.7
95.08548	9.7
95.34577	6.8
103.19939	6.4
104.33608	7.7
105.07024	28.2
107.04953	15.4
107.08540	8.1
117.06998	18.1
119.04974	12.9
119.08643	10.0
121.06451	12.1
133.06531	11.4
151.11150	13.4
153.09085	20.1
163.07539	17.1
163.11172	48.0
175.11195	31.4
177.09044	8.0
177.12669	7.7
187.11295	13.3
203.10666	14.7
219.13861	12.7
237.15092	8.5
247.13280	14.7
265.14435	16.5
267.52362	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	Merulanic acid
Peak:m/z	Relative Intensity
51.52588	3.9
53.03706	7.5
53.03939	100.0
56.52465	3.9
57.07068	46.0
62.90633	5.1
63.14327	4.2
67.05486	22.0
69.07054	5.2
71.01344	13.7
75.29234	4.5
79.05484	7.9
81.03409	72.6
84.92606	4.3
85.06533	24.1
91.05483	22.2
93.07034	10.2
95.04953	35.5
95.08617	7.4
105.07047	10.0
107.04920	6.6
107.08598	10.1
115.05461	16.5
117.06998	52.2
121.06510	8.3
123.04417	13.4
123.08056	7.7
124.82053	5.1
131.08568	5.7
133.88692	5.5
135.08041	14.8
137.09624	15.4
143.08566	6.2
145.06453	26.8
151.07594	7.9
153.09096	13.6
159.07994	7.7
163.07529	8.4
175.11066	6.9
177.12794	21.8
179.10675	19.5
191.14333	6.6
201.12695	47.6
218.66423	5.8
219.13818	57.1
229.12300	22.5
247.13289	62.7
265.14325	11.5
271.61789	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	265.1433
Annotation	CHEBI:69731
Peak:m/z	Relative Intensity
53.03938	4.3
54.31561	3.6
54.97712	3.2
55.83502	3.5
57.07063	4.2
59.05012	4.8
66.18767	3.7
67.05495	31.7
73.54534	4.7
75.35724	3.9
79.05459	8.4
81.03397	8.0
81.07059	11.1
81.51584	4.4
91.05475	8.6
95.01312	100.0
95.04959	12.0
95.08572	7.5
107.08591	9.9
109.06519	5.1
109.10155	35.3
117.07024	10.7
119.08567	10.0
121.06502	5.8
133.10178	7.4
137.09587	57.2
143.08510	4.6
149.05954	9.2
151.11232	7.5
155.75243	4.3
173.09644	5.8
201.12840	11.9
219.13878	5.9
229.12236	44.3
244.79971	4.7
247.13249	58.4
257.62778	5.7
273.09979	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	265.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.6
57.07068	3.7
57.52575	2.3
57.69162	2.5
59.59823	2.4
60.58017	2.5
65.03938	2.6
67.05478	3.0
69.03403	5.8
72.08138	6.1
79.05472	3.1
81.07033	4.4
83.97092	3.2
91.05483	9.7
93.07032	10.3
95.04942	7.7
95.08601	5.0
97.02883	3.3
103.05427	7.5
103.73853	2.8
105.07025	13.1
107.08599	5.0
109.06517	5.7
113.05976	4.0
113.57748	3.1
117.06998	3.7
119.08569	16.4
120.08092	100.0
121.06508	4.9
123.08057	3.8
129.06976	4.5
131.08577	6.3
135.08052	12.1
142.07793	3.5
145.06526	4.6
145.10167	3.7
147.08073	5.6
159.08047	7.1
161.09621	8.0
165.09094	5.4
172.08945	3.2
175.07520	11.4
175.11121	4.0
187.11136	5.1
188.72104	3.5
201.12740	5.4
203.10670	6.2
247.13274	7.7
265.14835	6.4
284.80859	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	265.1433
Annotation	gamma-Perezol
Peak:m/z	Relative Intensity
53.03942	38.4
57.07081	100.0
57.13677	22.4
58.89300	20.8
60.85265	24.3
65.03231	23.5
67.05521	26.1
69.07060	62.9
73.98934	22.5
79.05500	36.4
81.03424	39.7
85.06561	58.0
95.08603	41.9
117.06994	29.5
147.38733	31.7
173.98927	27.5
204.05969	32.7
219.13757	37.6
247.13329	35.6
265.14465	87.6
265.25427	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	265.1433
Annotation	gamma-Perezol
Peak:m/z	Relative Intensity
53.03933	4.4
56.96556	32.1
57.07070	35.4
67.05495	8.9
69.03424	6.2
73.06528	6.2
75.04459	17.3
77.58633	4.6
79.05471	16.1
81.03399	10.8
81.07043	28.6
83.05029	5.2
85.06546	7.6
91.05472	21.3
93.07031	17.8
93.15422	4.5
95.04925	6.8
95.08594	9.0
97.02859	5.8
97.99146	5.7
103.05397	4.9
105.07019	22.0
107.04944	11.0
107.08595	15.0
109.06539	7.3
115.05474	8.8
117.07011	17.5
119.08566	14.0
121.06498	7.2
129.06956	5.3
131.08536	10.9
133.02841	22.5
133.36508	5.4
135.04408	10.0
135.08018	5.6
135.11694	4.7
137.05850	5.3
139.01788	10.2
141.07094	4.7
143.08559	7.5
145.06471	10.6
145.10052	5.5
147.08052	7.7
159.07977	5.0
163.03874	8.5
163.07545	5.0
172.24904	6.0
181.54141	4.6
189.09105	18.9
219.13763	12.4
229.12337	8.6
247.13219	15.7
265.14328	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	Merulanic acid
Peak:m/z	Relative Intensity
54.11901	4.5
55.05500	8.0
57.07052	8.6
57.40001	5.6
61.17917	5.5
65.03927	6.0
67.05491	32.9
69.07054	10.9
79.05081	5.1
79.05491	38.4
81.07048	41.7
83.04959	8.8
89.02901	5.3
91.05463	30.7
93.07071	15.1
95.04950	6.4
95.08597	27.1
97.06532	11.1
99.04466	7.4
105.07018	29.9
107.04932	7.3
107.08582	21.5
109.01805	5.0
109.06510	16.7
109.10145	13.7
109.27158	5.7
111.04456	29.9
111.08104	6.7
117.07004	13.1
119.08566	23.1
121.10112	10.1
125.05991	34.1
131.08563	20.0
133.10107	10.9
135.08049	14.0
137.09610	7.6
139.03903	46.2
143.08562	12.5
145.10095	10.9
159.08031	11.7
161.09622	12.4
171.06487	6.9
173.13254	9.8
183.11688	12.3
201.12791	16.1
219.13795	47.4
229.12177	33.9
240.12885	6.1
247.13255	100.0
265.14294	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	265.1434
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
54.14558	9.8
55.05490	16.2
59.85554	9.7
65.03901	11.7
67.05483	42.2
69.03410	46.6
71.61986	10.7
79.52011	10.6
81.07045	22.1
91.05473	61.9
93.07043	38.4
95.04961	68.0
95.08609	30.2
105.07017	85.4
107.04967	17.8
107.08587	17.6
109.06527	36.0
111.04428	35.3
111.08043	19.2
117.07065	17.9
119.08588	100.0
121.06499	40.4
121.10103	11.4
127.95818	12.7
129.07066	24.5
130.07819	15.7
131.08560	37.8
133.10109	26.8
135.08020	79.9
137.09679	28.4
140.72316	12.0
143.08537	24.1
144.09315	14.5
145.06508	14.8
145.10123	28.0
147.08115	34.9
158.07233	29.0
159.08073	24.4
159.11714	54.8
161.09665	30.5
165.09184	38.7
165.69930	13.6
172.08821	18.2
173.09711	21.5
175.07570	55.9
175.11147	33.5
183.11848	18.0
187.11168	37.9
193.08627	19.6
199.11157	17.5
201.12802	35.2
203.10626	33.2
217.12195	23.2
229.12286	24.2
247.13342	53.3
265.14575	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
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
53.90401	6.1
55.01855	10.0
55.05506	15.6
56.96558	8.5
59.30337	6.5
65.03919	9.3
67.05489	38.2
69.03423	56.7
69.07057	10.4
69.29601	6.2
71.04980	18.4
73.02939	9.2
79.05485	35.7
81.07040	33.9
82.18423	7.5
83.04970	27.9
86.09685	9.1
91.05463	79.4
93.07043	52.5
95.04945	63.3
95.08569	37.9
97.02895	16.0
97.06512	14.5
97.23846	8.3
103.05466	10.5
105.07011	100.0
107.08585	20.9
109.06505	52.2
111.04453	33.6
111.08082	11.5
113.06023	23.9
115.05437	13.5
117.03323	8.9
117.07014	33.3
119.04932	6.8
119.08571	98.2
121.06496	58.2
121.10160	16.1
123.08052	30.9
128.06223	7.9
129.07001	19.7
130.95624	8.0
131.08557	43.7
133.06467	19.2
133.10095	27.3
135.08034	83.4
137.09639	18.3
139.03883	10.8
139.07463	9.7
141.06958	10.6
142.07799	19.5
143.08551	16.7
144.09418	9.7
145.06476	27.7
145.10066	39.0
147.04475	11.9
147.08037	53.4
147.11661	13.8
149.06062	10.5
155.08609	15.2
157.10110	16.7
158.07257	22.5
159.08041	39.6
159.11676	50.9
160.08788	9.7
161.09613	51.9
165.09097	32.9
169.10213	11.1
172.08795	19.8
173.09669	25.3
173.13240	31.4
175.07571	62.0
175.11211	32.3
183.08076	9.4
183.11690	11.1
187.07574	11.1
187.11159	31.9
189.09097	13.4
189.12732	18.0
193.08661	15.8
199.11176	20.7
201.09132	10.7
201.12759	38.8
203.10570	37.4
211.11191	14.9
217.12372	19.3
219.13799	19.4
229.12157	38.3
235.13359	8.7
247.13338	70.0
265.14340	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	Hirsutic acid C
Peak:m/z	Relative Intensity
51.47368	5.9
55.01864	7.4
55.05500	17.0
56.96550	11.1
57.07070	15.7
58.49133	5.9
58.66646	5.5
59.04992	46.6
62.65250	6.9
65.03947	6.5
65.15227	6.8
67.05491	17.8
68.11517	5.7
69.03418	22.5
69.07043	8.5
69.60684	6.5
71.15936	6.4
79.05477	28.2
81.03402	16.7
81.07033	47.0
83.04967	25.0
91.05460	51.3
93.07030	30.0
95.04978	24.0
95.08615	12.2
97.02855	7.6
97.06541	13.4
103.05453	10.0
104.56097	5.9
105.07015	57.8
107.04967	22.1
107.08603	12.1
109.02882	23.0
109.06496	19.7
111.04449	8.8
115.05452	13.5
117.07011	31.9
119.08562	35.6
121.06485	25.6
123.04342	7.0
123.08077	8.6
128.06212	28.5
129.07001	9.5
131.08551	33.6
133.10143	17.0
135.08026	10.4
143.08539	29.6
145.06480	34.7
145.10138	10.5
147.08086	24.9
149.05980	25.9
151.07561	19.6
159.08170	15.6
159.11798	7.7
161.09610	100.0
163.07544	8.6
167.07034	14.2
171.08047	7.4
177.09093	13.1
184.08754	7.2
189.09064	43.4
201.12660	37.9
202.27847	7.8
207.10101	16.3
219.13829	33.1
229.12234	22.1
235.40149	7.8
247.13235	34.7
260.67209	7.4
265.14249	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	265.1546
Annotation	Val Phe
Peak:m/z	Relative Intensity
55.05503	9.1
55.29857	0.5
57.05813	1.2
64.26467	0.5
72.08147	100.0
74.58081	0.5
76.54716	0.6
91.05459	0.6
98.96024	0.6
120.08112	10.1
120.08949	1.0
124.77766	0.8
124.93907	0.6
131.92775	0.6
166.08623	7.5
202.23613	0.7
241.61960	0.7
252.39377	0.8
265.15604	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	265.1548
Annotation	H-Phe-Val-OH
Peak:m/z	Relative Intensity
52.37902	0.4
55.05494	0.5
56.20746	0.4
57.50876	0.4
69.03392	0.4
70.06570	0.5
72.08147	5.1
79.67242	0.5
82.49438	0.5
84.08127	1.1
86.09698	1.4
90.77456	0.5
91.05501	0.6
93.07028	2.1
95.04966	0.5
103.05456	7.1
105.07008	0.5
118.08654	1.6
120.08099	100.0
147.08066	0.5
207.10158	1.2
219.14920	1.3
219.77135	0.6
265.15491	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	265.1796
Annotation	Clitocybulol B
Peak:m/z	Relative Intensity
50.52303	0.7
53.03930	2.7
55.01855	1.2
55.05489	4.3
57.07074	5.7
58.99872	0.8
67.05476	4.3
68.05818	1.0
68.99780	6.5
69.07060	8.6
71.01332	1.5
79.05462	4.0
81.03395	1.3
81.07041	4.4
83.04956	1.2
83.08614	1.8
85.02902	1.2
85.06525	2.1
91.05463	6.4
92.06553	0.9
93.03369	1.0
93.07017	4.3
95.04958	4.4
95.08578	7.6
97.10163	2.7
101.02367	7.8
103.05450	1.3
105.07030	4.7
107.04942	2.3
107.08580	9.0
109.06491	3.0
109.10151	2.9
115.05476	2.1
117.06993	6.8
119.04915	1.4
119.08542	2.1
121.06487	1.9
121.10117	3.5
123.04416	2.5
123.08144	1.4
125.09616	1.1
131.08553	4.0
133.06517	1.1
134.07236	0.9
135.04431	1.5
135.08017	5.5
136.62366	1.0
137.05989	1.9
141.05490	1.4
145.06415	2.2
145.10114	1.0
149.05913	2.1
149.09578	2.0
149.77740	1.0
151.07550	1.3
153.05470	2.0
155.07027	2.6
159.08046	1.5
161.05907	1.8
163.07521	3.7
165.09091	1.2
167.07054	6.2
171.92166	1.1
177.09125	3.5
191.10646	1.5
193.08559	4.3
194.09377	12.3
195.10101	1.6
219.13857	2.2
247.13258	1.6
265.17950	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1797
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
53.00295	1.9
53.03934	2.3
55.01855	1.4
56.96550	2.1
57.07066	100.0
60.61096	1.4
67.05491	2.2
75.58739	1.2
79.05470	1.4
81.03400	1.3
81.07034	3.0
83.19653	1.2
85.06532	68.5
87.04464	1.5
91.05479	3.5
93.07038	2.5
95.01307	1.8
95.04934	2.6
95.08616	2.8
105.07018	7.6
107.08594	1.8
109.10120	1.7
117.07024	2.5
118.59055	1.4
121.10099	1.4
131.08553	1.5
137.05972	2.3
137.09653	2.3
149.09584	1.6
201.12872	1.4
205.15865	5.4
209.97398	1.4
219.13913	1.8
222.32335	1.7
233.15309	6.6
233.26266	1.6
247.13321	2.5
265.14230	2.3
265.17999	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	265.1798
Annotation	Methyl atlantonate
Peak:m/z	Relative Intensity
55.01868	65.8
55.05513	5.7
56.96560	3.1
57.03452	2.2
57.07084	3.6
63.61928	1.7
67.05505	12.4
69.07069	13.4
71.05003	2.1
79.05502	7.3
81.03417	2.4
81.07053	13.1
83.04953	2.2
83.08627	3.4
90.16641	1.7
91.05485	4.9
93.07069	7.4
95.04996	5.4
95.08633	7.7
97.06525	100.0
103.98132	1.9
105.07072	3.0
107.05001	8.4
107.08604	3.0
109.06565	5.7
109.10194	2.3
117.07037	3.9
119.08585	2.8
121.10184	3.0
123.08039	2.1
129.14122	2.0
131.08537	4.0
135.08095	7.8
145.10124	2.0
147.04437	2.9
149.09627	9.5
219.17523	2.4
247.16969	4.0
265.17908	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	265.1798
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
51.50729	2.4
55.01862	9.1
55.05490	13.6
57.03428	5.3
58.45277	2.6
61.07574	2.8
65.03926	2.8
67.05495	57.9
69.03391	3.8
69.07059	56.3
71.04981	9.2
73.76785	2.8
79.05499	31.7
81.03423	4.1
81.07051	58.1
83.04966	13.6
83.08623	4.0
91.05476	41.1
93.03468	3.3
93.07043	37.3
95.04977	20.3
95.08599	41.0
97.06525	6.5
105.07023	42.7
107.04965	15.0
107.08599	26.9
109.06518	12.6
109.10142	12.4
117.07014	11.2
119.08578	21.9
121.06509	14.5
121.10154	23.0
123.08050	12.8
123.11684	3.4
125.09573	3.9
129.06999	3.8
131.08548	23.6
133.10127	25.2
135.08057	7.5
135.11739	11.9
137.09586	4.6
143.08551	5.8
145.10118	35.9
147.08076	6.9
147.11705	12.7
149.09630	22.0
149.13188	4.7
151.11177	22.3
154.59093	3.6
155.08592	4.3
159.08168	4.0
159.11687	14.0
161.09709	3.4
163.11177	41.8
169.10123	4.4
170.91498	3.2
173.09665	7.3
173.13393	4.0
179.10724	9.3
187.11128	5.7
187.14792	7.2
191.10672	12.4
193.02150	3.3
201.16331	19.7
209.11737	7.4
211.14828	5.5
219.17461	29.5
229.15872	19.9
247.16914	55.0
265.17972	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1799
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
53.03938	11.0
55.01861	27.8
55.05494	35.7
56.96560	13.2
64.64989	7.7
66.60960	8.2
67.05492	77.4
69.03388	11.8
69.07059	61.7
71.04980	9.7
73.78697	7.4
73.79486	8.8
79.05485	57.7
81.03407	37.4
81.07047	100.0
83.04994	12.0
83.08611	27.5
85.06521	9.6
91.05463	54.1
93.07027	63.1
95.04974	44.0
95.08592	37.7
97.06538	11.3
105.07021	30.5
107.04947	40.6
107.08592	37.3
109.06512	36.0
109.10188	14.1
110.52882	8.6
117.07037	26.8
119.08556	22.8
121.10120	16.6
123.08052	9.6
131.08580	41.4
133.06551	12.1
133.10133	22.1
135.08049	33.6
137.09637	15.5
149.09583	45.3
153.09119	9.2
157.45676	9.3
159.08047	12.9
163.11090	9.0
219.17418	12.5
229.15834	13.6
247.16930	36.7
265.17960	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2525
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
52.33544	12.2
53.03960	14.1
53.35131	11.5
54.25202	12.7
55.05515	55.4
57.07070	35.1
62.76120	12.3
67.05496	86.5
69.07055	98.8
75.35683	13.0
79.05505	29.9
81.07045	79.6
83.08624	54.6
92.52960	13.3
93.07087	46.6
95.08633	52.8
97.06542	19.9
97.10202	39.4
97.50064	14.0
107.08623	29.6
109.10183	30.1
111.18889	14.0
121.10142	72.9
135.11739	40.1
149.13306	22.3
169.87949	14.4
176.29527	16.1
247.24246	32.6
265.25244	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44102	9.1
71.82127	9.8
83.06493	9.5
83.49751	9.3
85.94017	9.1
89.86988	9.1
119.01950	18.9
128.45436	11.2
142.03479	21.9
177.00964	41.7
200.02536	27.8
201.00906	10.3
213.16028	11.7
217.81038	11.9
219.02069	47.8
220.02109	11.5
240.98715	11.5
242.03596	33.3
261.02924	73.2
266.03531	19.8
284.04633	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78526	2.3
56.05026	14.6
56.96539	2.4
57.07051	2.9
58.06583	8.8
70.06582	100.0
74.06067	5.3
76.81271	2.4
81.04282	2.5
88.75384	2.4
89.24060	2.4
111.04382	2.9
117.05745	5.9
129.10245	37.5
130.06544	7.8
130.75514	3.3
131.61342	2.6
132.08101	16.7
150.05547	9.2
162.48608	3.0
169.15685	2.8
176.07047	19.1
235.10765	5.1
248.13913	92.7
249.12428	10.0
259.32324	2.9
266.14987	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	266.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55555	1.1
53.64927	1.1
57.03428	1.6
60.08149	11.7
61.02913	1.5
62.92171	1.1
66.85947	1.1
69.03412	5.9
70.67207	1.3
73.02898	5.2
78.27308	1.2
79.02158	1.7
81.03409	3.4
85.02910	7.7
87.04461	11.3
97.02911	2.1
99.04451	4.0
104.10736	55.5
114.83984	1.3
122.07146	2.3
123.07500	2.0
127.03894	1.4
266.15955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69405	1.1
57.03415	1.5
60.07901	1.0
60.08162	9.2
61.02893	1.6
69.03400	3.0
73.02879	4.0
81.03407	3.4
85.02885	8.1
87.04450	8.7
97.02862	2.6
99.04450	2.2
104.10738	62.8
111.64231	1.5
127.03876	1.9
129.05441	1.5
131.60495	1.3
207.65736	1.4
266.15958	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26999	0.9
57.03432	2.0
60.08152	9.9
61.02894	1.6
63.99832	1.4
69.03415	6.7
73.02909	5.7
79.02180	14.1
81.03379	2.2
81.04512	1.1
85.02896	8.8
87.04458	10.4
91.71687	1.5
97.02870	4.2
99.04441	4.6
104.10735	60.6
107.41210	1.1
109.02825	2.4
122.07114	6.8
123.05548	4.0
123.07536	5.4
123.51061	1.2
127.03901	3.4
144.04738	4.9
145.05070	1.6
153.42099	1.1
154.81039	1.2
163.67200	1.0
172.64317	1.2
266.15952	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	1.0
71.04980	2.0
81.07037	4.4
84.04474	3.2
91.05462	3.6
109.76464	1.2
119.03559	3.6
130.05009	3.0
136.06186	100.0
137.04529	1.8
148.06053	1.3
159.46323	1.2
221.59810	1.2
234.13437	16.1
266.16095	40.4
277.83450	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37654	64.3
58.07095	50.2
63.58222	67.6
75.52322	66.1
90.30444	73.7
91.71609	83.0
142.32170	100.0
162.15251	81.9
215.70842	85.1
221.43044	82.0
237.66788	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.12
Annotation	2'-Amino-2'-deoxyadenosine
Peak:m/z	Relative Intensity
50.36413	1.6
52.51504	1.8
55.01854	3.1
55.05487	4.3
55.45719	2.0
56.36653	1.8
57.03425	2.2
57.07075	11.3
67.05493	14.7
69.03410	5.9
69.07027	3.0
70.06574	2.6
70.34794	1.8
72.92912	2.0
79.05467	6.5
81.07049	17.5
83.04955	8.2
83.08607	2.7
85.06510	4.2
87.04427	5.5
91.05452	10.2
93.07008	7.6
95.04944	4.9
95.08603	14.8
97.06525	3.2
101.06012	3.3
105.07025	8.4
107.04957	2.2
107.08556	5.1
109.06491	3.4
109.10108	5.1
119.08520	4.1
121.06498	2.8
121.10124	6.8
123.08039	2.9
130.66109	2.8
131.08559	4.1
133.10121	3.8
135.52663	2.7
136.06168	5.5
147.08043	3.3
209.07910	13.7
209.75098	2.8
221.15353	3.5
231.13730	3.4
238.93039	2.5
249.11111	3.4
249.14798	5.8
267.12003	100.0
267.19565	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.134
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
53.72810	1.2
56.04800	1.7
56.05029	18.7
56.35138	1.3
56.96549	3.5
57.03430	2.5
58.06585	3.1
67.52283	1.2
69.07050	1.5
70.06560	2.9
74.06071	100.0
75.04488	2.3
79.05487	1.6
81.03434	2.5
83.04958	2.2
84.04486	6.1
85.02893	3.1
87.08164	1.9
91.05489	4.7
99.77273	1.3
103.05446	2.7
107.04861	1.4
120.08099	46.9
120.45294	1.6
131.04991	3.0
136.06195	9.2
141.00803	1.4
152.16299	1.6
154.49200	1.6
166.08623	26.0
171.09520	2.1
212.88075	1.5
221.12872	6.7
249.12366	6.1
267.13419	11.1
272.19257	1.7
275.93799	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	267.159
Annotation	Kanshone D
Peak:m/z	Relative Intensity
55.01860	6.9
55.05487	5.7
57.03412	6.4
59.04990	74.8
64.37179	4.3
67.05496	13.9
69.03414	10.2
70.06580	4.8
71.04992	4.5
79.05479	15.9
81.03415	4.6
81.07040	43.7
83.04987	24.9
90.81884	4.1
91.05470	33.1
93.07019	23.6
95.04958	16.0
95.08592	6.0
105.07005	44.9
107.08598	14.9
109.02862	5.1
109.06514	31.5
109.10171	6.2
111.04465	5.0
117.07001	16.2
119.08591	27.5
121.06483	13.2
128.06181	4.5
129.07014	12.0
131.08563	25.0
133.06526	9.6
133.10150	6.7
135.08034	23.9
136.06175	30.5
143.08502	9.5
145.06522	5.8
145.10130	38.6
146.63344	4.9
147.08031	33.1
149.09622	16.9
151.07533	5.5
154.04764	6.3
157.10182	6.2
163.11194	15.6
173.09607	37.8
189.09148	12.2
191.10666	61.2
192.43431	5.1
203.10561	5.5
203.14235	8.1
205.12173	7.3
209.11722	76.9
222.01544	4.8
231.13791	100.0
249.14821	67.3
249.19572	7.4
267.13007	9.1
267.15976	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	267.159
Annotation	Fascicularone B
Peak:m/z	Relative Intensity
54.09047	11.5
55.05500	21.0
57.07068	100.0
59.04976	13.0
65.45615	10.8
67.05490	56.2
69.07030	19.5
72.64117	14.0
79.05471	43.5
81.07045	91.6
83.04980	54.7
85.06530	42.4
91.05473	63.0
91.71013	16.3
93.07047	60.8
95.01311	14.7
95.04965	60.8
95.08616	42.6
97.06561	14.3
99.04421	13.4
105.07037	45.9
107.04961	14.3
107.08591	34.7
109.06512	69.7
111.08065	17.7
117.07014	31.2
119.08551	70.0
121.10159	17.0
123.08066	31.9
125.06030	16.5
127.07585	26.4
129.07031	19.3
131.08559	28.6
135.08057	25.1
136.06178	44.1
137.05978	23.4
137.09676	32.5
139.03894	17.0
143.08609	22.5
145.10091	29.8
147.08044	19.5
165.09108	24.4
175.11292	21.0
203.14285	31.3
205.15405	15.8
219.13817	23.0
221.15350	79.4
231.13907	21.9
239.16357	73.3
249.11320	16.4
249.14926	44.5
267.15765	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1587
Annotation	Lactarorufin D
Peak:m/z	Relative Intensity
50.35368	6.5
55.01875	19.4
55.05509	22.0
55.07998	8.3
56.96559	12.5
57.07067	94.9
59.10938	6.4
63.36040	8.1
67.05497	41.2
69.07066	14.5
79.05483	55.4
81.03417	15.7
81.07063	29.4
83.04967	54.2
85.06522	56.3
91.05468	64.0
93.07053	24.3
95.04957	41.8
95.08624	27.1
97.06541	16.7
105.07019	52.9
107.04992	26.4
107.08624	10.9
109.06541	15.4
117.07042	16.8
117.60141	8.2
119.04906	10.8
119.08633	28.8
121.06547	15.9
122.10490	7.6
123.60331	9.7
128.06181	14.6
129.07048	31.0
133.06500	9.3
135.08044	15.9
137.09587	20.3
143.08617	16.6
147.08017	53.3
153.09082	10.1
163.11230	24.1
165.09128	15.0
187.11238	20.2
189.12807	32.9
203.14404	31.9
205.12311	18.6
230.97858	10.3
231.13722	48.9
249.14825	100.0
267.15845	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	267.159
Annotation	(+)-Blennin D
Peak:m/z	Relative Intensity
51.95901	5.1
55.01852	6.7
55.05502	10.9
56.96550	11.0
57.07070	39.2
60.27464	5.1
67.05489	37.7
69.07067	11.3
71.60109	6.5
79.05472	16.6
81.03394	19.0
81.07030	12.6
83.04953	14.7
84.23165	6.8
85.06534	27.6
91.05472	35.8
93.07024	21.6
95.04946	12.5
95.08592	100.0
97.06539	9.9
105.07043	23.4
107.04955	43.3
109.06553	9.1
117.07027	10.2
119.04917	7.9
119.08571	18.4
121.06497	10.5
123.08025	13.5
125.05984	60.4
125.09637	26.8
129.06982	7.8
131.08548	6.4
133.10107	8.0
135.04314	8.0
136.06186	18.4
137.05989	9.1
137.09639	8.7
139.29158	6.3
144.97256	7.0
147.08038	30.5
163.11220	14.3
175.11095	7.5
182.67163	6.9
187.11208	29.5
189.12738	16.3
203.14268	24.2
205.12344	7.6
221.15381	21.3
231.13754	42.9
249.14871	60.2
265.80368	7.5
267.15872	23.4
288.43811	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	267.159
Annotation	[3R-(3R*,3aS*,4R*,5E,9E,11aS*)]-3a,4,7,8,11,11a-Hexahydro-4-hydroxy-10-(hydroxymethyl)-3,6-dimethylcyclodeca[b]furan-2(3H)-one
Peak:m/z	Relative Intensity
50.38625	2.8
56.96548	3.2
57.07063	38.9
63.43378	2.9
66.52554	3.1
67.05482	7.0
79.05463	7.5
81.03385	8.4
81.07045	14.5
83.04969	7.1
83.68613	3.6
84.70968	3.3
85.06531	16.6
86.87075	4.1
91.05471	82.3
93.07027	8.7
95.04957	29.2
95.08611	6.6
105.07011	18.8
107.04998	4.7
109.06549	5.1
109.10160	4.8
117.07010	12.3
119.04931	39.2
119.08597	18.1
121.06499	9.0
121.10184	5.1
129.07002	15.1
131.04948	4.0
133.06464	7.6
136.06218	6.4
137.09604	91.8
143.08600	5.6
144.05682	5.4
145.06490	9.3
147.08040	18.6
159.08203	4.0
161.09633	6.5
175.11154	91.7
185.13394	3.9
187.11169	54.0
189.12746	6.5
201.12788	4.3
203.14299	26.1
205.12227	19.7
213.12656	4.5
219.13805	5.7
219.38023	4.5
231.13757	100.0
249.14799	51.8
263.86172	3.8
267.15787	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	267.1589
Annotation	[2S-(2alpha,4alpha,4aalpha,5alpha,8abeta)]-Decahydro-4,5-dihydroxy-4a-methyl-alpha,8-bis(methylene)-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
55.05500	2.1
56.96568	6.1
57.07067	63.8
57.28353	1.2
65.03950	2.2
69.03433	1.7
69.07063	2.8
79.05503	5.7
79.56168	1.5
81.07040	19.2
83.05001	1.7
85.06534	48.9
87.41991	1.2
91.05470	100.0
91.71050	2.2
93.07070	6.2
95.04987	3.0
95.08627	2.1
97.02879	10.6
103.47804	1.3
105.07059	4.8
107.04980	2.3
109.06543	3.5
111.07056	1.7
115.05447	1.5
117.07069	6.1
119.08574	21.9
119.09329	1.6
128.06253	2.5
128.26472	1.3
129.06992	25.8
129.07797	1.9
131.08600	4.4
136.06223	3.5
139.07532	1.9
141.51775	1.5
143.08591	5.5
145.10165	1.9
147.08096	6.6
157.06474	3.3
157.10150	2.4
161.06009	3.3
171.08086	1.9
175.07542	11.1
185.13318	4.7
195.11884	2.1
203.14180	7.2
213.12703	2.7
221.15401	2.0
231.13760	23.2
267.15988	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	267.159
Annotation	5-(1,4-Dihydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadienoic acid
Peak:m/z	Relative Intensity
55.01853	27.0
55.15384	7.0
56.96555	7.9
57.07067	92.0
67.05487	55.0
69.07072	18.6
71.04975	13.2
72.70066	8.8
74.40778	8.1
77.25777	7.4
77.26865	8.0
79.05485	80.0
81.03410	20.3
81.07060	20.6
83.04967	21.2
85.06525	46.5
91.05470	67.4
93.07052	25.1
95.04947	56.9
95.08588	70.6
105.03377	15.7
105.07025	37.4
107.04974	59.4
109.10174	16.6
117.07021	26.6
119.04939	18.3
119.08600	36.0
121.06524	18.3
121.44433	7.6
123.08037	12.1
125.05997	25.8
125.09667	19.6
128.06239	19.2
129.07002	33.2
129.77850	8.9
133.06483	20.6
135.53763	8.4
137.09590	55.8
145.06444	12.4
145.10138	13.6
147.08009	47.0
151.11171	27.5
163.11165	70.5
165.09138	10.0
175.11198	40.9
179.10718	24.1
187.11224	38.3
189.12726	53.5
201.12726	19.3
203.14229	44.2
205.12263	51.4
209.88037	9.8
213.12802	14.9
221.15399	11.5
231.13818	100.0
249.14876	64.3
267.15948	27.2
270.81488	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	267.1589
Annotation	Lejeuneapinguisanolide
Peak:m/z	Relative Intensity
51.48167	1.3
55.05529	1.7
56.10150	1.6
57.07075	1.9
61.02913	2.9
63.51810	1.7
67.05500	12.9
69.03425	11.4
70.76568	1.4
79.05484	1.9
79.88497	2.0
81.03407	4.1
81.07066	7.6
83.05004	2.3
83.08620	1.9
85.02941	2.7
85.06567	2.7
88.16650	1.7
91.05490	5.3
93.07046	11.3
95.04985	4.8
95.08621	2.8
105.07034	9.5
107.08660	6.1
109.06564	5.9
109.10155	100.0
117.07036	3.4
119.08561	2.4
121.10132	4.5
125.06013	2.1
128.06328	1.7
129.07051	2.1
131.08594	3.0
133.06474	2.7
133.10173	8.3
135.08102	2.0
135.11728	2.8
136.06215	3.5
145.05000	6.4
145.10181	2.8
147.11736	2.9
159.11749	4.4
177.12836	3.5
180.77992	2.0
219.13690	3.3
231.13820	2.4
249.14969	4.0
267.15887	33.8
272.32095	2.2
272.83716	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	267.1589
Annotation	Heliannuol L
Peak:m/z	Relative Intensity
55.05488	15.7
55.57758	8.7
56.96550	20.9
57.03424	14.1
57.07061	29.5
58.57286	7.5
59.04986	29.3
63.95075	8.1
64.25089	7.6
67.05479	25.6
69.03416	11.2
79.05476	24.9
81.03403	13.6
81.07041	61.1
83.04974	39.3
85.06518	25.7
91.05463	55.4
93.07028	71.9
93.42606	8.6
95.04953	36.4
95.07769	8.3
95.08607	14.9
105.07005	36.8
107.04870	8.8
107.08602	13.7
109.06506	28.4
111.08037	11.9
117.06970	10.0
119.04934	11.3
119.08551	30.4
121.06505	19.5
123.08011	12.2
129.06978	10.3
131.08571	26.7
133.06573	11.0
136.06125	10.5
145.10106	22.8
147.07985	16.5
148.29855	9.4
149.09561	13.2
151.07549	29.0
159.08081	16.0
163.11131	23.5
191.10677	23.3
193.41066	10.3
203.14314	20.2
209.11722	33.1
219.13977	16.4
231.13800	41.3
237.32056	9.9
249.14778	100.0
267.10269	11.7
267.15869	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	3.9
56.96552	25.8
57.06802	3.6
57.07066	57.6
69.07056	2.6
77.03930	2.9
79.05472	8.0
81.07045	25.3
83.08643	3.8
84.38791	3.5
85.06532	39.1
91.05473	70.6
91.71721	6.4
93.07037	5.0
95.04966	8.9
95.08582	5.7
97.02874	7.6
97.96795	14.2
103.04830	6.4
103.05460	69.3
105.03323	3.0
105.07000	12.1
107.04965	14.1
109.06515	7.0
115.97791	5.7
117.07032	10.0
119.04941	3.7
119.08570	21.9
128.94720	3.4
129.06992	22.1
131.04922	100.0
131.08611	4.7
135.04405	57.2
137.09674	3.8
138.99454	7.1
139.01733	3.6
147.08066	8.9
157.00615	4.0
157.06482	8.0
161.05981	35.3
171.50166	3.4
175.07574	10.0
185.13297	4.6
203.14337	10.4
221.15308	6.6
231.13763	31.3
249.14772	6.8
251.02315	6.1
256.06244	4.1
267.15833	17.1
269.03293	6.3
274.03793	15.8
288.05862	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	267.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	18.3
56.96553	14.3
63.25822	8.0
67.05482	57.6
69.07054	20.8
73.92484	8.6
75.54610	10.1
79.05484	50.3
81.07052	72.3
83.04961	12.4
83.08606	27.6
84.19151	9.3
85.02895	17.8
91.05476	51.4
93.07047	72.5
93.27825	10.8
95.04962	17.8
95.08607	33.5
97.02924	11.0
97.06509	15.5
105.07022	35.7
107.08573	28.6
109.10170	22.4
111.08114	12.1
113.13599	11.1
119.08573	28.5
120.97856	9.7
121.10147	70.5
131.08585	17.0
133.06490	16.1
133.10118	31.8
133.68570	10.2
135.11690	37.3
136.06190	87.9
137.09621	35.6
143.27315	11.2
147.11667	36.4
149.09581	17.4
170.42915	10.6
176.87021	11.2
184.79112	10.7
213.16408	13.2
231.17535	24.0
249.18524	100.0
267.15881	13.8
267.19479	35.8
276.07864	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	267.1954
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
55.05500	18.3
56.96553	14.3
63.25822	8.0
67.05482	57.6
69.07054	20.8
73.92484	8.6
75.54610	10.1
79.05484	50.3
81.07052	72.3
83.04961	12.4
83.08606	27.6
84.19151	9.3
85.02895	17.8
91.05476	51.4
93.07047	72.5
93.27825	10.8
95.04962	17.8
95.08607	33.5
97.02924	11.0
97.06509	15.5
105.07022	35.7
107.08573	28.6
109.10170	22.4
111.08114	12.1
113.13599	11.1
119.08573	28.5
120.97856	9.7
121.10147	70.5
131.08585	17.0
133.06490	16.1
133.10118	31.8
133.68570	10.2
135.11690	37.3
136.06190	87.9
137.09621	35.6
143.27315	11.2
147.11667	36.4
149.09581	17.4
170.42915	10.6
176.87021	11.2
184.79112	10.7
213.16408	13.2
231.17535	24.0
249.18524	100.0
267.15881	13.8
267.19479	35.8
276.07864	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	267.1954
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
53.75022	8.4
55.05501	28.0
57.07059	12.8
59.61526	7.1
65.09654	8.1
67.05499	68.0
69.07037	16.6
74.72037	7.9
79.05482	41.8
81.03398	17.7
81.07043	82.6
83.08606	39.1
85.06515	11.8
91.05467	46.5
93.07032	64.7
95.04950	12.7
95.08602	45.6
97.06522	19.2
97.10133	9.7
99.08044	8.7
105.07026	25.1
107.08589	36.1
109.10162	13.0
111.07998	16.4
113.27769	9.5
119.08588	30.1
121.10139	65.4
125.09607	9.8
133.10114	34.0
135.11696	14.1
136.06187	100.0
137.09622	39.3
147.11681	15.8
151.11151	22.8
173.37656	10.5
185.14658	9.9
231.17487	18.1
249.18497	91.1
267.19498	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	267.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	6.5
55.05518	23.0
56.94330	5.6
67.05497	100.0
69.07066	22.3
71.05001	28.6
72.64242	6.1
76.51270	5.9
78.09933	6.1
79.05505	27.6
81.07043	83.9
82.87837	6.2
83.08640	20.6
91.05503	17.7
93.07044	41.1
95.04996	8.4
95.08601	90.4
95.09155	7.5
97.06549	8.3
97.10201	7.5
105.07049	11.4
107.08566	15.1
109.06496	7.1
109.10126	30.8
111.08154	8.1
111.91612	6.7
119.08627	7.7
121.10175	29.4
125.09673	7.9
125.33516	6.3
135.11696	53.1
136.06177	75.4
175.14812	7.4
242.50824	7.4
258.25772	7.0
267.23260	30.2
276.68338	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	268.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78330	5.7
69.11211	7.1
84.53603	7.3
96.57940	6.9
109.34097	8.6
147.19458	7.3
164.98839	100.0
173.10303	7.5
180.98306	61.8
185.62207	8.3
194.01581	12.9
208.97862	11.4
268.05127	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
52.76905	0.4
56.69224	0.5
64.99604	0.4
66.07260	0.6
71.34002	0.6
73.02922	0.7
95.09086	0.5
123.28374	0.6
133.04919	0.6
136.06181	100.0
268.10406	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	268.118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.4
56.96583	0.9
57.03411	0.8
60.09209	0.8
62.21069	0.9
65.03917	1.8
67.05509	1.4
68.99774	1.1
69.03413	0.9
70.06586	13.6
72.08167	1.3
73.02988	0.9
74.08954	0.9
76.59537	0.8
81.03434	1.6
84.04517	1.7
84.08174	1.6
84.26711	0.8
85.02916	1.1
86.09710	1.6
87.04480	3.0
91.05473	1.2
91.71079	2.2
94.04082	0.9
95.04993	4.2
109.67559	1.1
111.04430	5.1
113.06003	1.5
115.03988	1.2
120.08141	1.6
121.02885	6.3
123.04441	9.2
136.06187	100.0
138.05576	3.4
139.03912	6.6
154.08704	1.2
178.91499	1.0
204.85701	1.0
215.07167	1.2
215.97569	1.0
221.62129	1.1
230.70912	1.0
233.08017	4.8
235.08499	1.0
250.10779	1.3
251.09235	1.8
264.99338	1.2
268.11978	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	9.4
56.96539	1.2
57.03412	1.6
67.05488	8.2
69.07059	9.1
72.60889	1.3
75.44555	1.3
79.05470	1.6
81.07053	11.6
83.08610	7.4
93.07018	3.1
94.75987	1.3
95.08618	10.2
96.31995	1.3
97.10150	1.7
109.10134	3.2
130.97421	1.7
136.06184	100.0
137.06607	1.8
250.06763	1.4
268.10352	4.5
268.26331	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96961	5.8
53.26166	4.9
58.90413	5.3
64.13545	6.3
69.41084	6.3
70.52069	5.4
71.95097	6.2
81.13227	6.4
91.71679	9.8
93.65477	7.0
134.55225	6.2
268.98245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42747	4.9
54.53309	5.5
54.56071	5.4
73.69009	6.5
96.72507	7.4
97.62051	6.8
103.48146	7.0
132.96722	8.1
139.19044	7.0
268.98248	100.0
283.52640	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	269.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
54.69706	2.6
55.01855	12.2
57.03418	3.4
57.07044	3.4
65.03945	6.5
67.05492	13.6
67.19717	3.2
69.03435	5.8
69.07058	3.9
70.06575	6.2
71.04977	6.1
75.00224	3.4
79.05486	11.6
81.03397	3.0
81.07048	13.9
83.04977	6.9
84.08121	4.5
85.02901	5.6
85.06525	5.6
86.09673	7.8
91.05473	80.6
91.06041	4.1
91.71105	4.0
93.07037	9.8
95.04968	12.4
95.08573	6.2
97.06561	4.4
103.05478	10.9
105.03377	16.6
105.07018	33.6
107.04948	22.6
107.08595	8.3
108.08154	3.4
109.06512	26.6
110.07152	6.6
110.28504	3.0
111.04450	4.5
111.08063	3.8
115.05495	8.8
117.07035	7.4
118.04128	3.8
119.04935	100.0
119.08551	4.0
120.08173	5.6
121.06529	18.5
123.08082	15.2
124.05193	6.9
125.06020	4.0
125.09612	5.1
131.04953	6.7
131.08601	7.5
133.06499	18.6
135.08023	8.0
136.06175	14.2
136.08829	4.3
137.05933	12.2
137.06662	9.2
145.06471	5.9
145.10161	4.5
147.04433	16.6
147.08038	15.8
149.05986	13.9
149.09605	4.7
151.07529	47.9
159.08066	12.3
161.05966	68.5
165.05479	4.7
173.09650	3.9
175.07552	15.0
179.07028	32.4
187.07498	19.6
187.11252	5.9
193.08661	4.4
205.08560	38.0
215.10722	4.3
215.78642	3.8
223.09660	47.9
235.05795	3.6
251.12785	5.2
269.10199	5.8
269.13770	10.2
269.17447	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	269.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.5
56.96555	3.1
57.03410	1.5
57.07063	5.6
67.05492	9.5
69.07066	3.4
71.04974	1.9
79.05472	4.7
81.07060	8.7
85.06570	1.8
91.05457	4.3
93.07050	5.1
95.08601	3.5
95.62634	1.5
97.06497	1.6
98.97574	1.8
105.06332	1.6
105.07030	31.9
107.04913	2.5
116.38398	1.5
121.10155	1.9
123.11646	1.6
125.32561	1.6
127.86983	1.4
130.17476	1.6
133.06490	100.0
133.10136	1.7
136.06157	10.1
137.06558	6.4
148.36469	1.7
149.13268	2.1
158.01244	2.2
181.02817	2.4
248.11601	2.0
252.65755	1.8
263.14401	1.8
269.17584	2.3
279.03036	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	269.1383
Annotation	G3
Peak:m/z	Relative Intensity
50.87093	4.6
52.10040	3.7
53.24298	4.5
55.01851	20.3
55.05499	9.6
56.96541	4.2
62.57835	4.0
64.47067	4.5
67.05508	25.5
69.03443	4.7
69.07045	8.4
70.79869	5.3
71.04981	29.8
78.43367	4.1
79.05475	19.2
81.07054	44.3
83.04959	10.6
91.05471	35.9
93.07035	48.4
95.04964	16.8
95.08585	10.2
97.06515	45.5
99.04358	6.2
105.07015	15.5
107.04952	13.3
107.08604	5.8
109.06522	26.7
111.04424	19.1
113.06017	17.3
117.07023	18.9
119.04929	16.3
121.06482	35.5
123.08044	8.6
125.05984	22.1
129.07031	9.8
131.08562	20.4
135.08095	5.1
137.05962	16.3
139.07535	39.3
141.07027	12.1
143.07082	8.9
143.08521	6.7
145.10139	22.3
145.71834	4.9
149.06004	18.0
151.07574	11.2
154.07773	6.6
155.08641	6.9
157.74106	4.8
159.08083	5.6
159.11641	9.4
161.05959	10.9
167.07027	18.3
169.10020	23.2
173.09590	6.6
179.60310	5.3
187.11140	43.8
191.10744	23.5
205.12210	31.0
215.10683	33.6
223.09647	7.0
223.13292	10.0
233.11714	58.1
251.12758	100.0
269.13852	10.5
286.61380	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	269.1381
Annotation	Papyracon B
Peak:m/z	Relative Intensity
57.07067	100.0
58.01946	2.4
66.29304	2.4
68.83002	2.4
69.03423	2.9
79.05478	3.9
81.07043	6.4
91.05460	17.6
93.07036	11.8
95.04956	4.6
105.07027	8.2
107.04918	4.5
109.16505	2.7
119.04903	4.9
119.08569	6.6
121.06516	12.5
121.10126	2.7
131.04994	3.1
137.05975	6.0
145.10080	5.5
147.04398	6.2
147.11751	6.1
149.06033	3.8
159.11658	5.1
163.11198	3.9
165.05443	9.4
167.07011	4.4
173.09653	5.9
179.50026	3.2
183.06531	4.4
187.11197	9.3
189.12744	6.4
204.07155	3.2
205.12303	5.8
215.10657	4.8
217.13185	3.4
233.11765	19.6
247.74173	3.4
251.12816	13.5
269.13849	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	269.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.6
53.03939	1.4
55.01858	1.2
55.05505	5.3
56.96548	1.0
57.03422	2.2
57.07068	100.0
57.21915	0.9
59.04982	3.1
60.04519	1.2
66.11544	1.0
67.05492	23.8
69.03416	3.5
69.07053	7.4
71.04975	5.8
79.05479	10.6
81.03387	2.1
81.07050	21.8
83.04971	8.6
83.08608	3.1
85.02895	8.5
85.06532	36.5
86.09669	1.7
87.04455	1.4
89.05963	1.6
90.93102	1.1
91.05470	22.0
93.07033	75.9
95.04958	11.2
95.08593	19.5
97.02879	4.2
97.06509	4.1
97.10178	2.0
99.04433	3.7
103.05457	1.8
105.07027	25.8
107.04955	4.3
107.08580	10.0
109.06509	5.6
109.10152	6.0
111.08076	6.1
115.05480	1.4
117.07008	4.0
119.04938	1.2
119.08589	6.9
121.06503	7.2
121.10120	11.4
121.25323	1.1
123.04427	2.0
123.08070	4.6
123.11725	2.3
125.06034	1.6
125.09632	2.0
129.93823	1.3
131.08565	16.2
133.06465	1.8
133.10104	6.3
135.04503	1.5
135.08061	3.3
135.11621	3.7
136.06192	6.3
137.05727	1.6
137.06548	3.4
137.09612	2.0
139.07552	4.4
139.11171	1.4
141.05356	1.1
141.09143	2.1
145.06731	1.3
145.10063	6.3
147.04396	2.8
147.11694	4.2
149.05988	3.4
149.09619	5.0
149.13281	3.9
151.07578	1.8
151.11215	1.5
159.11671	5.4
161.09529	1.1
161.13324	1.7
163.11143	2.3
165.05475	4.1
167.07024	8.8
169.10063	1.1
173.09590	2.5
173.13277	2.0
177.09071	5.4
185.08109	3.3
187.11194	2.3
187.14792	5.4
189.12781	1.7
191.10710	2.1
195.06511	1.1
205.12231	3.9
205.15833	10.1
207.13782	1.3
209.11761	2.3
215.14426	1.4
215.17987	3.3
221.15326	7.7
223.08617	1.1
223.13275	1.8
223.16907	1.8
233.11694	3.5
233.15349	21.1
233.19009	1.3
251.12808	8.0
251.16409	15.0
251.20090	2.5
269.13766	7.2
269.17484	4.8
269.21341	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20614	1.3
52.25084	1.1
55.01890	1.7
55.05496	5.4
56.96559	3.3
57.03431	2.2
57.07069	100.0
59.05006	2.1
67.05493	16.9
67.08598	1.2
69.03414	3.5
69.07057	7.0
70.51554	1.3
71.04994	3.7
79.05479	7.6
81.07050	23.6
83.08591	5.2
85.02901	3.0
85.06547	9.4
86.82370	1.3
91.05476	12.7
91.29107	1.4
93.07038	21.7
95.04967	4.2
95.08599	17.3
95.47277	1.2
96.08160	1.3
97.06532	4.8
97.10201	1.6
98.67190	1.3
105.07021	13.1
107.04919	2.4
107.08575	9.3
109.06550	1.5
109.10165	5.1
111.04491	2.2
111.08099	3.7
111.69413	1.6
117.07039	3.1
119.04924	2.8
119.08575	7.7
121.06520	10.4
121.10123	10.1
123.11709	3.0
129.07013	1.5
131.08553	7.4
133.06497	2.5
133.10155	4.4
134.24078	1.7
135.11685	5.3
136.06160	7.4
137.05702	2.3
137.06569	4.8
138.51373	1.9
145.10118	5.4
147.04420	6.3
147.08102	2.4
147.11710	2.5
149.05991	2.4
149.09651	4.1
149.13240	2.9
151.07536	2.0
153.12862	1.5
159.11705	5.8
161.13304	2.1
167.07054	5.6
173.09631	2.9
187.11208	5.2
187.14679	2.2
187.32045	1.8
189.12775	4.9
203.14334	2.0
205.12204	3.3
205.15866	4.1
209.11758	5.2
215.10666	4.1
223.13326	1.5
223.16774	2.3
233.11713	15.9
233.15398	5.2
235.11984	1.4
251.12834	6.8
251.16403	4.3
251.20084	3.3
269.13788	2.9
269.17410	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	269.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57883	1.4
57.07071	100.0
62.83376	1.6
67.05511	2.7
79.05481	5.0
81.07072	3.6
91.05515	3.6
93.07030	19.4
107.08605	3.3
119.04970	2.3
121.06541	2.6
135.11798	2.3
137.06007	2.7
139.07623	2.9
142.77002	1.9
187.53278	2.2
251.12791	10.9
286.89285	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1535
Annotation	Diethylstilbestrol
Peak:m/z	Relative Intensity
55.01881	1.0
57.07052	2.5
59.64709	0.8
69.07058	1.0
81.07016	1.5
90.37646	1.0
92.56498	1.0
94.63783	1.1
142.07753	4.8
143.08578	1.9
157.10120	47.5
163.15117	1.1
179.67659	1.1
181.92384	1.4
183.08041	12.8
185.09561	5.7
193.82271	1.1
197.09558	1.9
198.10364	3.2
199.11113	1.5
226.09874	3.2
226.13535	9.3
241.15833	18.7
267.73718	1.1
269.15335	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
64.66948	77.5
75.77216	66.1
109.18982	74.5
128.76035	71.7
134.79930	88.0
256.26416	100.0
265.60760	94.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.9
55.05500	13.3
56.96536	11.0
57.06831	9.1
57.07068	100.0
61.80434	7.1
67.05489	44.2
69.03419	7.2
69.07071	13.7
69.19497	7.0
75.84315	7.4
78.43693	6.8
79.05484	34.0
81.07045	43.0
83.04985	11.3
85.06547	62.6
91.05467	33.5
93.07044	18.6
95.04957	25.2
95.08620	12.0
105.07020	26.2
107.08584	12.9
109.06504	12.1
109.10172	15.1
116.24942	9.3
119.08614	14.5
121.10130	10.1
125.09583	8.2
129.07007	9.8
131.08582	51.9
134.94530	8.8
137.09607	50.3
141.96025	9.1
145.10097	11.2
149.09671	14.6
151.11192	15.6
189.12663	12.6
205.15906	14.3
215.14278	19.1
233.15353	97.7
251.16470	41.7
263.94696	8.5
268.81512	12.4
269.08014	15.0
269.17520	10.5
269.22662	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	6-Hydroxypunctaporonin B
Peak:m/z	Relative Intensity
55.05498	5.5
57.03428	4.1
57.07065	54.5
59.04989	4.5
60.17888	4.0
62.22115	4.3
64.00688	4.0
67.05493	36.8
69.03404	5.3
69.07050	11.0
75.28481	4.7
79.05491	28.1
79.05869	4.5
81.03433	5.5
81.07037	44.2
83.04976	6.0
85.06524	43.0
85.10170	5.3
87.30236	5.3
91.05466	25.4
93.07043	26.7
95.04937	31.6
95.08615	14.6
104.59837	4.4
105.07030	16.5
107.08584	11.2
109.06491	13.4
109.10117	9.3
119.08588	15.0
121.06516	6.5
121.10148	13.3
125.09653	6.2
128.75342	5.3
129.07005	8.5
131.08577	30.7
137.09615	75.3
141.23759	5.4
149.09604	20.7
151.07608	6.2
151.11154	7.9
163.11111	8.4
171.27608	5.2
177.09094	24.2
177.12880	5.8
189.12843	5.5
203.14378	6.2
205.15892	20.9
215.14220	7.0
233.15334	100.0
236.22874	6.2
251.16391	57.5
269.08511	4.9
269.17453	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	269.1746
Annotation	Plucheinol
Peak:m/z	Relative Intensity
55.01846	2.5
55.05489	7.3
56.96549	10.7
57.07060	3.9
59.04993	34.9
65.03913	4.0
67.05490	11.8
69.07059	4.0
71.04972	4.2
75.46344	2.3
79.05482	10.5
81.07047	10.0
83.04977	13.9
83.08608	16.3
84.37916	2.7
90.73244	2.6
91.05470	10.4
93.07031	23.6
95.04955	69.8
95.08593	6.1
97.06532	14.9
98.97570	7.4
99.40197	2.6
103.05469	3.6
105.07020	14.3
107.08595	15.7
109.06493	6.5
111.04456	4.8
111.08065	9.3
114.09466	2.7
116.74012	2.5
116.98661	2.9
117.07032	6.3
119.08575	6.5
121.06461	4.5
121.10106	4.2
123.08097	7.7
131.08574	8.2
133.06476	3.2
133.10118	16.7
135.03355	5.3
135.04399	100.0
135.08034	13.5
136.04758	11.1
137.05894	4.5
140.00182	3.4
141.09000	2.9
145.10150	4.3
147.08076	3.7
147.11613	5.3
149.09682	5.3
151.11150	10.5
161.06226	3.4
165.12752	10.9
173.05939	3.0
173.84363	3.1
175.11104	16.7
184.00403	8.0
186.66354	3.1
187.84218	3.0
193.12241	57.4
202.01756	4.2
207.02023	6.9
211.13300	26.2
222.04343	5.4
233.15335	9.1
245.05949	5.8
251.13977	5.5
251.16371	42.7
251.18439	3.6
290.07172	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	269.1746
Annotation	6-Hydroxypunctaporonin B
Peak:m/z	Relative Intensity
55.01867	9.9
55.05500	13.3
56.96536	11.0
57.06831	9.1
57.07068	100.0
61.80434	7.1
67.05489	44.2
69.03419	7.2
69.07071	13.7
69.19497	7.0
75.84315	7.4
78.43693	6.8
79.05484	34.0
81.07045	43.0
83.04985	11.3
85.06547	62.6
91.05467	33.5
93.07044	18.6
95.04957	25.2
95.08620	12.0
105.07020	26.2
107.08584	12.9
109.06504	12.1
109.10172	15.1
116.24942	9.3
119.08614	14.5
121.10130	10.1
125.09583	8.2
129.07007	9.8
131.08582	51.9
134.94530	8.8
137.09607	50.3
141.96025	9.1
145.10097	11.2
149.09671	14.6
151.11192	15.6
189.12663	12.6
205.15906	14.3
215.14278	19.1
233.15353	97.7
251.16470	41.7
263.94696	8.5
268.81512	12.4
269.08014	15.0
269.17520	10.5
269.22662	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	6-Hydroxypunctaporonin B
Peak:m/z	Relative Intensity
51.44904	2.7
52.20072	2.8
55.05500	6.9
57.06839	4.6
57.07069	51.3
59.04974	4.4
66.28852	3.2
67.05508	21.6
69.07056	6.5
73.83929	3.0
74.40359	3.1
79.05483	55.6
81.07048	68.8
83.04993	6.5
85.06540	27.4
91.05473	28.4
93.07033	19.0
95.04955	24.6
95.08597	9.6
103.05431	3.3
105.07049	18.9
107.04948	6.3
107.08607	7.8
109.06523	22.8
109.10146	5.7
117.07011	8.0
119.04913	4.9
119.08582	10.0
121.06483	4.0
121.10162	11.2
123.04480	4.3
127.07623	4.4
131.08586	23.4
133.06496	9.4
135.08032	4.2
136.16339	3.8
137.09610	45.7
145.10098	6.4
149.09601	23.7
151.11133	6.2
155.08525	5.1
163.11145	21.9
163.65997	3.7
175.11237	5.2
180.28371	3.7
189.12746	30.7
191.14388	22.7
205.15796	21.1
215.14316	10.7
218.34555	3.7
233.15344	100.0
251.16385	48.7
269.17477	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	269.1746
Annotation	Russujaponol A
Peak:m/z	Relative Intensity
53.00311	1.9
55.05487	5.3
56.96547	3.5
57.03427	3.3
57.06801	3.7
57.07065	52.1
67.05492	15.7
69.03405	2.3
69.07057	7.0
71.04970	4.5
77.03941	2.3
79.05483	10.0
79.38767	2.0
80.01142	1.6
81.03402	3.1
81.07048	19.2
82.49940	2.0
83.04970	3.9
83.08600	4.2
84.14060	2.0
85.02896	3.8
85.06531	51.3
86.99484	1.8
91.05456	23.9
91.16034	2.0
93.07030	100.0
95.04955	9.2
95.08589	17.9
97.02904	5.5
97.06534	2.1
98.97615	3.0
99.04440	4.4
105.07018	35.1
107.08578	9.9
109.06522	4.4
109.10161	5.4
109.18002	1.9
111.08067	20.2
113.05986	2.3
117.06997	4.8
118.06487	2.3
119.08565	6.8
121.06490	3.6
121.10147	8.8
123.08088	4.2
129.77429	2.1
131.08543	34.6
133.06511	4.2
133.10149	5.3
135.11754	2.6
136.06194	14.5
137.06490	6.7
137.09618	2.2
139.07584	3.2
141.09152	2.7
145.10129	8.1
147.11771	2.2
149.09598	3.9
149.13289	4.7
151.07597	6.5
159.11710	4.4
161.19002	1.9
165.05510	1.9
167.35222	2.4
177.09087	7.3
177.12706	2.9
187.14851	9.7
204.37581	2.0
205.15834	15.3
215.14465	2.6
221.15364	4.3
223.17046	3.6
233.11797	4.2
233.15350	39.6
251.12784	3.1
251.16357	15.7
269.11005	3.5
269.13586	11.1
269.17316	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	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91203	3.4
55.01871	7.3
55.05492	12.7
55.41491	4.8
56.05319	3.4
57.03422	9.1
57.07066	50.4
59.04991	4.9
62.12273	3.6
65.11151	3.6
67.05494	52.9
69.03422	9.2
69.07056	11.9
71.04980	12.5
73.02916	4.4
79.05483	45.8
81.07054	93.0
83.04968	15.2
83.08591	5.7
84.04489	8.0
85.02905	13.0
85.06536	36.9
91.05468	50.8
91.71098	6.4
93.07030	100.0
95.04962	18.6
95.08602	57.7
97.02893	12.2
97.06502	12.9
98.97639	6.8
101.02389	7.1
105.07024	44.9
107.04955	17.3
107.08596	38.7
109.06513	12.7
109.10154	29.1
111.04459	27.6
111.08076	13.4
117.06997	7.9
119.08554	31.3
121.06500	18.8
121.10127	62.8
123.08060	15.3
123.11679	25.0
125.09651	6.5
131.08566	33.1
133.10146	28.9
135.08055	18.9
135.11668	39.9
136.06204	16.1
137.05759	4.8
137.06616	10.3
137.09615	10.5
139.07518	7.4
145.10172	23.3
147.08058	11.2
147.11664	10.7
149.09595	5.5
149.13289	6.3
151.07608	4.8
153.05461	9.8
157.10165	5.1
159.11707	22.9
161.09641	5.2
161.13257	6.4
163.07440	5.7
167.07094	8.5
169.10138	9.5
173.09592	13.4
177.09073	11.1
187.11205	15.2
187.14767	21.5
189.12811	6.0
191.10660	7.2
203.14261	6.4
205.12271	6.8
209.38557	4.6
215.10718	10.5
215.14253	23.0
221.15318	6.4
233.11708	13.1
233.15344	34.2
251.12781	16.6
251.16423	10.7
269.13834	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	269.1745
Annotation	6-Hydroxypunctaporonin B
Peak:m/z	Relative Intensity
55.05499	1.3
57.07049	1.8
67.05459	1.4
69.07054	3.3
79.05499	1.9
81.07039	2.6
83.04982	1.1
91.05466	12.9
93.07031	3.8
95.08611	4.9
95.50996	1.0
103.05471	1.7
105.07033	9.4
107.08593	1.6
109.06549	1.1
110.67905	1.0
111.04408	1.3
116.59791	1.0
117.07013	4.0
119.03470	1.1
119.08564	4.8
121.10153	1.8
129.06990	2.0
131.08557	100.0
133.10124	4.1
145.10147	5.6
149.05939	2.2
159.08015	2.3
177.09099	14.2
187.14815	4.3
221.15436	1.4
229.59431	1.3
233.15350	31.2
245.19220	1.0
251.16367	5.8
269.17465	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	269.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55122	7.4
55.05517	25.7
57.03439	37.7
57.07077	13.8
67.05499	86.4
69.07079	24.6
71.04959	12.9
79.05511	37.1
81.07054	100.0
83.04984	10.3
83.08627	24.6
87.19326	7.8
91.05513	36.1
93.07032	63.6
95.04978	10.5
95.08632	36.5
97.06544	10.3
105.07094	18.2
106.77645	8.8
107.08618	31.2
111.08079	9.0
121.10148	20.2
131.08650	9.1
133.10216	15.8
136.06203	44.6
137.06645	20.8
149.13310	25.9
159.11787	27.4
159.98497	10.5
161.13388	9.7
167.71394	9.7
177.12814	21.8
189.01019	8.4
195.13704	10.4
269.17471	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
55.05508	22.1
55.26933	3.6
56.87412	4.1
56.96535	5.8
57.03439	26.1
57.07061	11.9
59.33976	3.8
67.05499	79.9
69.07056	26.5
71.04998	8.3
79.05492	30.1
81.06596	8.0
81.07051	100.0
83.04972	9.0
83.08611	21.5
85.06524	5.3
90.87573	4.4
91.05471	27.1
91.71058	13.4
93.07037	70.2
95.04948	7.0
95.08606	32.8
97.06530	16.2
104.99297	7.8
105.07027	12.7
107.08585	28.9
109.10154	8.9
111.08067	4.9
117.07013	12.1
121.10148	15.8
124.12277	4.7
131.08537	11.1
133.10153	13.0
135.11676	14.3
136.06169	17.5
137.06631	10.0
149.13281	29.3
159.11681	30.9
161.13272	6.3
177.12648	12.1
179.14319	7.2
195.13713	9.5
252.29256	5.0
259.74759	4.8
269.17447	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	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41635	4.1
55.05515	11.6
56.57079	4.4
56.96572	4.6
57.03449	3.8
57.07075	14.0
59.79771	3.6
62.36759	4.2
63.66413	4.5
64.24366	3.8
67.05495	45.0
69.03421	8.2
69.07059	8.6
71.04984	8.1
79.05481	34.4
81.07052	96.4
83.05000	4.3
85.06565	21.6
91.05478	29.9
91.26933	4.5
93.07035	100.0
93.14452	4.8
95.01337	26.7
95.04989	18.6
95.08595	67.1
97.02864	12.1
97.06537	6.6
103.66825	5.1
105.07008	27.8
105.93050	4.5
107.08575	30.9
109.06552	6.7
109.10191	21.4
111.04429	33.5
111.08102	16.7
117.07082	9.2
119.08604	24.3
121.06526	7.0
121.10142	66.2
123.08118	15.5
123.11707	31.4
131.08578	39.8
133.10124	24.5
135.08040	9.4
135.11690	57.2
136.06255	8.3
142.66008	5.3
143.08585	6.0
145.09160	4.9
145.10103	24.9
147.08104	8.8
149.09610	29.6
155.08688	5.5
157.10130	8.0
159.08127	19.8
159.11743	18.6
161.13335	4.8
173.09717	7.6
175.14792	8.6
177.09146	21.0
187.11287	9.0
187.14868	28.2
195.10164	9.2
197.13284	6.2
203.14362	10.4
205.15955	9.8
215.14352	31.1
221.15396	11.3
233.15489	21.4
239.96445	5.2
251.16405	11.5
282.84583	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	269.1746
Annotation	(3beta,8beta,10alpha)-9(12)-Capnellene-3,8,10,14-tetrol
Peak:m/z	Relative Intensity
55.05502	12.5
57.07066	25.3
59.04974	3.9
67.05492	51.0
69.03422	9.9
69.07056	15.7
71.04980	10.6
79.05491	30.6
81.07051	83.1
83.04985	12.4
84.04503	4.3
85.02908	7.9
85.06551	11.8
91.05465	34.7
91.71089	3.3
93.07034	100.0
95.04958	18.4
95.08591	58.9
97.02898	15.3
97.06544	11.7
104.71102	3.4
105.07026	39.6
107.08602	38.2
108.27245	3.1
109.06490	7.1
109.10152	31.2
111.04462	12.8
111.08089	8.7
117.07023	6.8
118.06386	3.3
119.08576	32.0
121.06496	14.4
121.10139	42.9
123.04425	10.5
123.08062	7.1
123.11700	24.3
125.09631	4.8
131.08562	35.8
133.10141	25.9
135.08081	10.1
135.11685	16.7
137.05882	17.4
137.09622	5.1
139.07515	8.4
139.11229	5.8
143.08588	6.9
145.10100	24.4
147.08035	16.0
147.11687	14.6
149.09627	15.1
153.09114	6.0
155.08572	5.7
155.10591	4.4
157.10176	6.9
159.08115	6.1
159.11714	11.5
161.09624	19.8
161.13316	4.4
165.09082	7.6
167.10713	12.3
173.09619	16.5
173.13242	3.9
175.11253	4.6
175.14809	22.8
177.09102	22.2
177.12856	4.2
179.10701	12.8
182.10956	6.7
187.11192	7.8
187.14769	29.0
191.10728	4.6
193.16039	5.9
197.13274	11.9
203.14244	18.5
204.40205	3.6
215.14272	34.2
221.15398	13.9
233.11797	7.1
233.15372	42.9
250.76959	4.0
251.12752	6.4
251.16376	37.6
269.17480	10.1
274.46552	3.8
283.49338	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	269.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98896	6.7
55.05496	23.8
57.07063	8.5
67.05492	56.0
68.04995	8.0
69.03419	21.4
69.07050	20.5
70.06569	16.0
71.04975	15.2
76.03999	14.1
79.05481	33.9
81.03410	31.4
81.07043	64.7
83.04970	32.5
84.04491	100.0
85.06535	20.5
91.05463	44.2
91.71641	17.0
93.07032	82.8
95.04979	31.7
95.08588	54.1
97.06534	25.4
98.06025	12.2
105.07018	46.9
107.04945	23.3
107.08601	23.6
108.04491	11.6
109.06519	11.0
109.10102	10.9
110.51821	8.1
111.04423	10.2
111.08068	13.3
112.30122	7.6
117.07019	16.5
119.08572	31.7
121.06460	9.2
121.10148	33.5
123.08048	16.5
130.04999	27.4
131.08571	30.4
133.10138	22.7
134.77281	7.4
135.08043	8.9
135.11694	10.4
136.06195	18.7
137.05847	18.0
137.09557	9.6
145.10201	12.1
147.08037	10.6
147.11736	10.8
149.09633	9.0
151.07516	43.7
159.08066	15.5
175.11134	41.3
175.14876	19.9
177.09056	16.4
178.45770	9.6
194.11539	8.3
195.10199	11.1
215.14374	18.2
230.19014	80.9
231.19426	11.4
233.15466	15.4
241.68730	10.6
251.16463	18.5
256.81821	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	269.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24871	1.9
53.03948	2.2
55.01839	2.9
55.05504	13.7
56.21065	2.0
56.96559	4.7
57.07076	2.0
65.03924	5.1
67.05494	100.0
69.07049	15.1
71.04998	2.7
79.05494	22.8
81.07046	94.2
83.04949	4.1
83.08611	13.5
85.06512	3.8
91.05470	32.9
93.07031	30.3
95.04935	3.5
95.08598	84.6
97.06528	10.4
97.10175	6.7
105.07040	10.8
107.08595	19.5
109.10154	34.0
111.08067	9.9
117.07029	4.2
119.04972	19.7
119.08618	12.7
121.10149	28.8
123.11691	12.7
131.08569	5.3
133.10138	20.8
135.11699	15.7
136.06194	6.5
137.06592	4.5
137.09634	4.6
137.13206	3.7
145.10146	4.9
147.04398	47.9
147.05525	3.8
147.11693	4.3
148.04745	3.8
149.13232	6.1
151.11217	4.6
152.58560	2.5
158.63489	2.7
159.11662	4.4
169.09381	2.8
187.14786	3.5
187.29613	2.4
195.13799	4.0
215.17952	18.9
220.43257	2.4
233.19000	7.8
251.20007	23.4
251.22470	2.8
251.23274	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	269.211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80061	2.7
55.05514	15.8
56.96573	14.0
57.07080	2.9
58.33043	2.9
59.17052	3.4
65.03935	5.2
67.05498	56.0
67.05827	4.3
69.07077	11.2
79.05482	20.5
81.07049	50.9
81.07458	3.4
81.53237	3.2
83.08633	13.4
91.05470	38.6
93.07034	25.9
95.08606	54.7
97.06557	12.4
104.99277	6.0
105.07057	8.8
107.08592	17.5
109.10185	21.4
111.08125	7.0
117.07113	3.5
119.04957	27.1
119.08622	11.9
120.05316	4.6
121.10132	22.2
123.11747	7.4
126.01552	3.7
133.10156	16.9
135.11757	12.4
136.06209	7.1
145.10088	4.9
146.32611	3.7
147.04407	100.0
147.05493	7.1
147.11713	3.8
148.04767	7.7
149.13321	4.8
151.11238	5.5
187.14900	4.1
208.72725	3.9
215.18050	9.2
233.19138	6.8
251.19916	18.6
274.68503	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	269.2111
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
54.13108	1.6
55.05505	14.3
57.07082	1.7
59.86337	1.8
59.98058	1.8
65.03927	3.3
65.47424	1.9
67.05499	100.0
69.07069	13.5
71.04981	2.2
76.38469	1.9
79.05483	19.4
81.07048	90.4
83.04952	2.1
83.08611	14.0
85.06549	2.4
91.05467	19.0
93.07040	29.5
94.20467	2.3
95.04964	2.4
95.08604	88.1
97.06516	8.6
97.10156	6.0
99.08182	2.2
102.78176	1.8
104.99266	3.3
105.07005	12.0
107.08585	19.1
109.10162	34.9
111.08073	5.8
111.76003	2.2
117.83170	2.4
119.04952	3.6
119.08584	8.2
121.10135	22.8
123.11703	10.1
131.08556	6.8
133.10114	23.9
135.11713	14.4
136.06136	2.7
137.06641	2.3
137.09613	5.0
137.13269	3.8
145.10100	5.8
147.04355	5.6
147.11702	5.1
147.78592	2.3
149.13251	7.5
151.11180	9.8
173.13269	3.9
187.72482	2.4
195.13843	2.9
215.17989	14.1
230.30183	2.2
233.19037	9.5
247.66998	2.5
251.20058	20.0
258.55197	2.3
272.57843	2.2
292.89392	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	269.211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39023	2.5
55.05509	15.8
56.96560	4.5
57.03417	3.5
57.07067	10.2
67.05496	87.5
69.07063	23.0
71.04971	3.2
72.74422	2.5
74.24888	2.8
79.05497	21.5
81.07048	100.0
83.08600	19.2
85.06532	3.5
90.65193	3.0
91.05474	18.3
93.07030	32.0
95.04951	4.0
95.08604	83.0
97.06512	8.7
97.10148	7.6
104.99266	3.8
105.07038	9.3
106.79707	3.6
107.08579	17.8
109.10157	28.9
111.08093	10.1
119.08582	11.3
121.10145	24.4
123.11709	14.1
125.09692	3.2
131.08560	8.3
133.10133	22.5
135.11691	18.1
136.06218	11.1
137.06529	11.5
137.09598	3.3
145.10164	4.3
147.11688	8.8
149.13246	8.0
151.11168	4.5
151.66031	3.4
152.36258	3.3
195.13927	4.2
215.17938	19.1
233.18985	8.7
251.20027	29.6
269.26648	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	269.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	3.2
55.05505	22.1
55.34701	3.0
56.96542	3.5
57.07053	13.0
59.05001	27.6
62.62885	3.2
67.05496	63.6
69.07060	31.2
70.45614	3.1
71.04980	23.7
72.04491	20.6
72.14717	3.3
79.05482	12.7
80.12350	3.0
81.07047	90.5
83.08611	19.7
91.04914	7.4
91.05472	100.0
91.71643	4.8
93.07047	20.0
95.08601	73.3
97.10149	9.7
99.76036	3.6
104.99300	6.0
107.08583	10.5
107.37712	3.4
109.10159	25.8
110.63995	4.4
121.10155	15.1
123.11711	15.0
133.10126	6.5
135.11694	12.7
136.06171	20.1
136.11230	6.6
137.06526	16.7
137.13274	8.1
145.10123	3.6
147.04433	11.2
149.13266	8.5
151.11072	4.4
163.14801	6.0
177.86661	4.2
214.58168	3.8
214.69478	3.7
215.17921	4.1
233.18921	6.9
233.22707	4.5
240.20641	4.2
251.20177	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	270.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06571	6.3
52.87939	6.0
53.72781	5.4
57.48242	6.0
60.96093	7.1
69.03413	6.7
69.71433	7.8
75.35364	7.3
85.02921	7.6
91.95409	8.0
92.69517	7.8
100.02470	36.3
101.00909	6.8
103.02435	14.1
106.09777	7.6
123.04126	27.0
138.66037	8.0
141.05090	8.9
142.03542	11.8
144.99908	10.0
147.01434	26.2
168.01457	15.9
170.03053	29.7
177.05164	12.4
191.00461	10.6
191.03096	20.8
193.04611	19.3
196.01006	31.4
198.02551	23.6
209.04146	11.7
214.02077	25.7
219.02547	40.6
221.04164	23.8
237.03496	38.6
242.01492	13.8
250.94022	8.2
265.03027	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0601
Annotation	Apigenin
Peak:m/z	Relative Intensity
52.14147	0.2
55.46560	0.3
56.91715	0.3
57.03437	0.3
59.01623	0.3
65.03925	0.4
67.01855	2.4
67.05492	0.5
68.99776	1.2
69.03425	0.4
69.81922	0.3
71.29887	0.2
81.07052	0.6
84.54283	0.3
91.05466	2.7
95.08598	0.3
97.02886	0.3
119.04098	0.5
119.04939	6.6
121.02849	2.3
129.01842	0.5
145.02844	2.0
153.00557	0.7
153.01819	13.3
163.03874	1.4
171.02919	1.4
187.03802	0.6
225.05475	1.0
229.04942	0.6
243.06526	0.5
253.04922	0.4
271.05981	100.0
272.06256	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	271.0748
Annotation	10-Oxabenzo[def]chrysen-9-one
Peak:m/z	Relative Intensity
56.96547	3.7
57.03425	2.3
60.04533	2.1
67.05497	3.0
69.03435	2.7
69.23260	2.0
70.06580	15.7
71.04988	3.6
76.02224	2.9
81.03409	7.0
84.04485	4.0
84.08128	5.2
85.02892	4.9
86.09689	4.7
91.05483	3.2
94.06576	6.3
95.04968	4.0
106.06554	4.0
108.38931	2.4
109.02873	3.8
110.07150	6.3
116.07130	3.0
122.06061	3.5
123.06837	3.0
124.07587	6.8
127.03900	10.8
129.10318	2.5
130.04941	2.3
134.06017	59.7
136.07613	3.1
137.06006	3.8
139.05051	6.0
140.07059	3.9
143.08467	2.4
145.97234	2.3
149.07111	12.2
150.05519	20.8
152.07059	100.0
162.07919	3.0
163.08679	6.0
173.07040	2.9
175.08650	18.4
176.09465	25.6
211.52408	2.8
219.07671	23.1
220.08362	4.4
227.08484	16.9
237.08662	3.5
271.07474	57.3
271.09686	2.4
271.12854	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0963
Annotation	3,5-Dihydroxy-2,4-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
55.01857	7.8
55.05502	6.1
56.96561	4.4
57.53365	2.4
60.14594	3.2
63.86886	2.5
65.03923	2.8
67.05489	9.4
67.09287	2.3
67.34963	2.7
69.07053	3.4
70.06584	51.6
72.08139	12.7
73.48717	2.6
79.05482	3.8
81.03422	3.5
81.07039	7.4
81.43774	3.3
83.04961	6.2
83.08601	3.4
84.04485	3.1
84.08118	5.2
85.02894	9.0
86.09696	6.8
91.05473	28.1
93.07023	9.0
95.04941	9.1
95.08596	6.9
95.31363	2.4
96.92776	3.1
97.06507	2.7
105.06985	5.9
107.04935	10.4
107.08578	6.3
109.06534	6.1
109.10106	3.8
115.05457	6.5
116.07112	3.9
119.04936	12.2
119.08581	4.0
121.06525	5.7
121.10111	5.8
123.04414	5.0
123.08091	3.3
129.06979	7.1
131.04980	3.2
137.05984	5.4
141.06981	10.0
143.08595	3.6
146.71497	3.5
147.04474	3.6
147.11665	4.3
149.05925	4.8
152.06215	8.6
153.06981	38.6
154.07738	4.7
155.08562	18.4
157.06407	5.2
165.06985	96.5
168.05708	15.4
169.06384	6.3
179.07033	3.2
181.06401	20.2
182.07249	8.5
183.08052	47.9
185.05881	4.7
193.06433	10.6
196.05205	8.6
197.05980	7.4
199.07674	3.6
200.08267	5.2
207.04425	5.5
210.06741	4.9
211.07541	42.6
213.05476	3.2
221.05919	9.9
225.09148	4.3
228.07782	5.2
239.06914	9.4
242.09363	7.2
243.10179	5.9
271.09586	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	17.7
55.54827	4.8
57.03434	100.0
57.07060	20.8
67.05495	35.4
69.07046	23.5
71.04985	19.0
79.05486	18.9
81.03433	7.6
81.07067	46.7
83.04973	31.0
85.02892	30.4
85.06496	6.3
89.30582	6.3
91.05468	43.9
91.83539	5.2
93.07037	25.5
95.04957	15.0
95.08588	27.2
97.06532	17.6
99.04449	14.5
99.08084	9.6
105.07017	33.0
107.04958	10.8
107.08585	45.5
109.06532	16.7
109.09512	7.2
109.10126	41.7
111.08070	16.7
112.94517	6.4
115.07546	6.9
115.76010	6.8
117.07020	23.8
119.04837	6.1
119.08537	38.8
121.06461	10.2
121.10137	11.9
123.11735	7.8
124.07590	8.3
125.05991	7.8
125.09615	8.2
131.08499	10.1
132.25648	6.7
133.10153	12.3
135.08028	14.0
137.06010	9.5
137.09676	9.8
147.08171	9.0
147.11766	9.5
153.07011	10.2
155.10622	35.2
157.10094	12.7
161.09615	12.1
163.07553	19.6
165.06967	11.0
167.73436	7.2
171.11613	7.6
175.11282	7.2
179.10593	7.2
183.08012	8.8
189.12718	8.2
207.13782	9.1
217.12262	18.6
221.58246	6.6
235.13307	27.4
271.09583	26.9
271.15332	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	271.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82190	7.3
55.05492	17.2
56.27714	7.7
56.96542	13.6
57.07063	10.3
63.46118	8.5
64.98739	9.5
67.05484	45.5
69.07052	35.2
71.04972	27.1
73.69920	8.4
79.05479	21.9
81.07049	35.8
83.08614	22.4
91.05485	34.6
92.05787	8.8
93.07042	39.0
95.04971	18.5
95.08598	41.0
97.10182	19.9
105.07050	57.5
107.08574	32.5
109.06511	100.0
109.10167	14.7
119.08575	17.9
121.10154	16.7
126.50901	9.3
128.06218	11.2
129.06920	14.0
131.08611	14.7
135.08086	41.1
137.09624	16.1
141.07011	11.8
143.08578	26.6
145.10132	24.5
147.04514	12.5
157.10109	16.2
161.09560	11.8
165.06996	12.8
169.10214	12.2
171.11652	36.0
195.11768	35.3
213.12769	44.4
222.12453	12.0
271.05841	16.0
271.16867	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50014	4.6
55.05494	23.3
67.05499	52.2
67.83659	5.0
68.78297	5.9
68.98787	4.6
69.07057	11.2
71.04946	4.7
71.38815	4.9
79.05476	24.7
81.07034	61.3
83.08609	21.7
84.29655	6.2
85.06557	10.2
91.05471	36.5
93.07036	100.0
95.04972	10.3
95.08609	48.9
97.06503	10.6
97.10146	8.0
99.04466	7.7
105.07019	44.7
105.76808	5.0
107.08572	37.6
109.10114	13.9
111.08067	46.9
118.70247	5.4
119.08555	44.9
121.10144	32.0
125.09566	7.9
127.98653	5.6
129.09126	23.7
131.08659	8.4
133.10138	25.2
135.11688	10.4
137.09680	8.3
145.10127	10.5
147.11703	21.7
149.13235	7.3
157.10133	6.1
159.11722	9.9
161.13222	54.8
163.14764	7.1
179.10648	5.4
189.16443	12.6
191.14304	6.1
199.14792	14.1
200.82306	5.7
205.15866	13.4
209.15376	9.0
217.15857	40.9
223.16982	7.6
235.16960	43.0
253.17982	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	271.1903
Annotation	12-Hydroxy-6-epi-albrassitriol
Peak:m/z	Relative Intensity
55.05490	25.5
55.05723	4.5
56.96548	9.0
57.07061	10.1
65.56757	4.7
67.05488	21.8
69.07044	20.9
70.84013	4.8
71.04959	5.5
74.67627	4.5
79.05505	11.3
81.07037	47.2
83.08619	11.8
91.05455	34.4
93.07038	62.0
95.08606	49.4
97.10183	8.2
105.07020	76.6
107.08597	37.6
108.29713	4.9
108.55211	5.3
109.06490	6.2
109.10149	19.3
119.08571	27.1
121.10129	15.6
123.11728	14.1
125.09603	12.8
131.08583	7.0
133.10121	99.6
135.08078	5.3
143.08589	7.7
147.11681	18.0
151.07573	12.6
153.09029	6.9
161.09613	11.0
165.07039	7.4
179.10612	27.0
189.16380	75.2
191.17975	6.7
197.55928	5.4
207.17470	8.3
217.15944	19.6
235.16945	100.0
253.17897	28.8
271.09680	7.8
271.19046	23.6
290.64011	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	271.2055
Annotation	Clathrin B
Peak:m/z	Relative Intensity
50.86894	2.4
51.47282	1.9
53.92109	2.3
56.96543	10.7
59.25311	2.0
62.89145	2.1
67.05466	7.9
69.07056	3.9
77.05902	2.5
79.05469	5.3
81.07047	24.9
83.08599	3.8
91.05476	12.9
91.71650	5.0
93.07027	13.4
95.08595	15.8
105.07004	22.2
107.08577	11.3
109.10160	5.8
117.06979	5.7
119.08560	8.6
125.09592	2.7
129.06911	3.8
131.08571	30.3
133.10164	6.5
135.11670	4.3
143.08592	6.3
145.10092	10.8
147.11684	8.8
155.08627	4.6
157.10109	8.4
159.11693	31.4
161.13249	11.8
171.11700	4.4
173.13237	5.8
185.13292	5.8
187.14801	3.1
197.13258	8.3
243.21095	5.7
253.19501	34.2
271.20551	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	64.5
55.05753	7.4
55.27589	4.4
57.07077	13.2
57.75402	4.2
58.42595	3.8
61.61626	3.7
67.05501	58.4
69.07059	100.0
69.07419	5.8
71.05006	7.6
79.05488	25.1
81.07047	73.7
81.07467	5.4
83.05014	6.4
83.08614	61.9
85.06557	7.4
91.05504	13.8
93.07040	26.0
95.04986	7.8
95.08596	79.2
97.06551	10.6
97.10151	47.0
99.08104	5.0
105.07063	14.7
107.08601	20.0
108.43818	4.5
109.10135	30.1
111.08118	11.5
111.11758	16.3
119.08613	21.1
121.10141	30.4
123.11740	17.1
123.99260	4.8
125.09665	8.2
125.13262	6.2
133.10141	26.0
135.11702	30.8
137.13309	5.7
139.11259	11.1
147.11775	15.5
149.13234	7.1
151.14789	6.7
151.55359	5.7
161.13324	12.1
165.12862	5.9
199.54930	5.0
210.45384	5.0
217.19591	26.3
235.20503	23.8
253.21741	11.9
271.06232	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	271.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21314	1.6
53.03919	1.9
55.05253	3.4
55.05505	48.2
55.64179	1.6
55.98966	1.8
57.03413	2.5
57.07071	13.3
62.47824	1.9
67.05496	55.3
69.07059	100.0
71.04990	5.0
71.08610	4.3
79.05489	15.9
81.07047	78.6
83.04962	4.3
83.08607	54.6
85.06540	7.1
85.10146	2.6
91.05464	19.4
93.07037	29.2
95.04966	3.3
95.08595	71.0
97.06515	11.5
97.09587	3.9
97.10164	51.6
99.08099	3.0
99.52264	1.9
105.07011	18.1
107.08578	20.7
109.10151	27.3
111.08064	5.6
111.11713	21.7
113.09640	3.3
115.07592	2.7
119.08578	18.2
121.10136	27.7
123.08041	4.9
123.11683	10.9
125.09640	5.8
125.13252	7.1
127.03443	2.2
133.10120	20.1
135.11678	23.6
137.09612	6.3
137.13283	6.8
138.55418	2.3
138.64888	2.6
139.11179	5.5
147.11662	15.6
149.13254	3.8
151.11182	7.8
151.14832	5.2
153.12718	7.9
154.99326	2.2
161.13217	11.6
165.12744	7.7
175.14787	4.8
179.14238	4.4
217.19492	30.2
235.20544	17.7
253.21597	10.2
255.89621	2.7
271.23004	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	271.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	2.4
53.03934	2.2
55.05504	39.8
56.96555	3.4
57.07074	15.5
58.06588	2.4
58.91707	1.6
60.24860	2.0
67.05495	73.9
69.07059	68.9
71.04963	10.0
71.08618	6.9
71.97924	2.0
79.05488	4.7
81.07048	100.0
83.08609	68.0
85.06538	7.0
93.07017	4.7
95.08601	96.9
97.10157	53.1
97.10738	3.8
107.08553	2.0
109.10152	49.0
110.10477	1.9
111.11710	20.6
123.11707	26.2
125.13304	5.6
133.10088	2.9
133.50871	2.3
137.13261	10.2
151.14801	5.4
165.16345	3.6
220.33124	2.3
235.24124	4.9
253.25327	3.3
271.06042	3.7
271.12845	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	272.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	9.9
55.05503	21.5
62.67683	7.1
67.05495	70.9
69.07070	18.3
71.04985	49.0
71.28709	8.1
79.05489	64.2
81.03402	11.5
81.07041	100.0
83.04974	16.1
85.02879	9.4
85.06535	56.9
87.04440	14.3
91.05462	46.1
92.02451	8.5
93.07027	60.8
95.08605	27.9
97.06524	16.4
99.04449	18.9
99.08076	60.4
105.07044	35.1
107.08569	15.6
107.71254	8.5
111.08040	11.2
117.07021	30.6
119.08582	19.8
121.06495	16.1
121.10153	18.5
122.39489	9.1
123.08098	9.0
129.07010	18.1
131.08582	52.6
131.09473	8.9
135.08115	13.2
141.07042	15.7
145.10074	13.0
151.07468	9.2
157.10110	22.2
159.11681	37.1
163.85887	7.9
173.13280	12.6
183.11646	11.9
201.12708	15.3
237.14774	15.8
272.09796	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	272.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44271	2.5
57.07065	36.5
57.58866	2.5
62.06077	33.5
71.08609	13.9
76.63150	2.7
80.74907	2.8
85.25807	2.9
88.90345	3.0
101.64872	2.9
127.80154	3.3
204.01373	3.4
249.00803	4.3
272.29437	100.0
273.11307	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	272.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41201	1.9
57.06834	2.6
57.07065	25.7
58.06566	4.6
62.06079	19.4
71.08607	10.5
85.10155	6.2
85.65073	2.3
148.00708	2.5
199.24776	2.4
254.28328	5.2
272.29440	100.0
288.54541	3.0
292.83218	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	273.0756
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04754	1.1
59.75856	0.8
65.03879	0.8
67.01866	2.1
68.99794	1.9
69.03412	2.4
91.05476	9.6
95.04978	2.5
97.02878	1.7
99.62650	1.1
107.04939	3.4
118.59740	1.0
119.04935	19.4
123.04400	3.7
147.04402	49.9
153.01819	100.0
171.02899	2.7
189.05402	1.1
271.18573	1.2
273.07553	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	5.9
57.07071	6.5
61.59342	4.9
66.64049	5.2
91.92750	5.5
101.78989	5.3
103.48438	5.0
124.37053	5.5
157.19933	7.7
196.62277	6.5
273.14584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22007	6.5
55.01880	13.6
55.05515	18.6
57.03444	12.1
58.59915	5.8
60.85429	6.9
62.08831	6.5
67.05501	68.1
69.03408	7.7
69.07067	23.3
70.52892	7.2
70.59525	6.5
71.04984	100.0
79.05478	44.6
81.07050	60.1
83.05000	15.0
85.02904	38.6
85.06564	33.6
87.04477	21.0
91.05511	35.7
91.71634	16.6
93.07046	63.4
95.05004	15.6
95.08611	76.1
97.06554	26.9
99.04472	27.0
99.08073	16.2
105.07032	23.2
107.08620	18.4
109.10203	28.4
111.04506	9.0
111.08134	8.0
117.07043	14.8
119.08630	19.4
121.06581	7.2
121.10125	39.9
131.08562	39.2
133.10141	7.9
135.08102	11.8
135.11778	7.6
139.11162	46.1
150.31248	7.5
157.10127	12.3
157.12273	15.9
159.11775	34.8
173.13332	11.9
191.14278	9.6
201.12759	12.4
219.13884	21.1
237.14999	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	273.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	7.4
55.05496	14.5
56.70015	3.8
57.03411	8.9
67.05492	79.1
69.03415	6.9
69.07054	17.4
71.04983	100.0
79.05479	35.6
81.07047	52.5
83.04971	15.3
85.02889	45.0
85.06533	24.9
87.04472	7.6
91.05469	34.4
93.07037	69.7
95.04949	9.1
95.08598	94.2
97.06528	16.2
99.04435	22.6
99.08074	9.8
101.02341	6.0
105.07018	16.8
107.08588	12.4
109.06490	7.8
109.10144	31.1
111.04461	6.1
111.08105	7.0
115.03909	6.5
117.07030	12.1
119.08585	20.8
121.06498	12.6
121.10127	31.2
123.08066	8.9
131.08583	22.6
135.08092	7.6
135.11707	9.9
137.09630	15.8
139.11156	32.1
145.10092	7.0
149.05952	6.4
150.40875	6.0
155.08519	8.2
157.12221	13.6
159.11694	20.9
173.13234	8.2
191.14445	6.5
193.64998	5.7
196.58556	5.2
201.12746	9.0
219.13799	14.0
237.14900	9.6
255.16072	7.2
294.74796	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	273.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32817	4.6
55.01856	12.7
55.05506	24.4
55.05720	4.3
55.56395	4.0
57.03431	11.5
60.68103	4.0
61.99887	3.6
65.82590	4.2
67.05499	100.0
69.07074	28.6
71.04989	88.7
72.26069	3.9
79.05482	65.6
81.03402	6.3
81.07050	71.0
83.04965	17.5
85.02897	35.7
85.06532	40.1
87.04469	40.6
91.05470	46.1
93.07031	69.9
95.04952	13.3
95.08594	84.5
97.06539	27.9
99.04454	27.7
99.08121	15.9
101.02402	5.1
101.06033	12.7
105.07031	31.2
106.64305	5.7
107.04935	8.5
107.08603	20.7
109.06513	6.6
109.10174	26.7
111.04482	11.0
111.08111	18.5
112.60606	4.9
115.03934	19.7
117.07036	25.2
119.08590	20.3
121.06503	11.9
121.10123	30.9
123.08092	10.0
123.11730	7.8
125.05994	6.3
129.05482	5.8
129.06998	6.9
131.08546	37.9
133.10150	5.9
133.83008	5.7
135.08054	14.7
135.11676	8.9
139.07597	8.6
139.11214	21.5
141.07031	7.1
145.10120	13.8
147.11707	7.4
155.08469	6.1
157.10091	8.5
157.12256	10.6
159.11685	31.8
167.07069	7.0
167.40445	6.1
173.13269	21.7
183.11748	9.4
190.82745	6.0
191.14351	13.7
201.12793	22.3
219.13853	30.5
237.14977	19.2
255.15999	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	273.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	9.5
55.05496	17.0
57.03434	5.0
63.83784	4.3
64.03816	5.2
67.05501	66.4
69.07050	26.1
71.04987	100.0
76.15720	4.7
79.05485	39.5
81.07050	49.1
83.04948	14.8
83.08632	7.2
85.02892	38.8
85.06546	26.4
87.04496	12.9
87.78540	4.5
91.05486	36.7
93.07026	68.3
95.04986	10.6
95.08600	57.5
97.06516	17.6
97.64414	5.4
99.04463	22.3
99.08082	14.5
105.07013	14.1
107.08588	16.3
109.10145	22.4
111.04456	9.2
111.08049	11.6
115.04017	5.9
117.07010	23.5
119.08590	15.7
121.06527	8.5
121.10114	41.5
129.06990	5.9
131.08578	23.0
133.10123	5.7
135.08034	8.3
135.11638	12.1
135.28004	6.3
137.09657	11.8
139.07549	7.8
139.11172	35.6
139.58327	4.6
141.06941	6.0
154.62308	5.3
157.12250	14.5
159.11716	24.0
173.13286	13.1
183.11774	7.2
199.38275	6.1
201.12750	12.4
219.13858	15.5
237.14948	9.5
264.20721	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	273.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.9
55.05491	16.0
55.71621	4.4
57.03421	9.7
61.62294	4.8
61.90452	3.7
63.26820	3.8
67.05492	50.0
67.23824	4.2
67.73023	4.4
69.07066	25.2
69.08736	4.0
71.04983	39.7
73.09930	4.7
73.69921	4.0
79.05484	28.3
81.07050	42.2
83.04978	12.2
83.48379	4.8
85.02897	32.6
87.04457	6.6
91.05476	17.3
93.07040	57.2
95.04920	8.1
95.08598	100.0
96.08896	5.2
96.23299	4.0
97.06507	10.8
99.04439	34.5
105.07042	15.1
107.04973	7.4
107.08598	10.0
109.10148	25.3
111.04463	5.4
111.07982	4.8
117.06997	14.4
119.08582	9.5
121.06457	6.9
121.10143	52.8
121.60619	4.4
125.06082	5.7
131.08575	10.0
135.11674	8.6
137.09622	9.2
139.11165	38.5
153.12704	9.9
157.10059	6.6
157.12260	6.6
159.11671	31.6
191.14230	8.4
193.51060	5.4
201.12776	6.4
219.13904	18.0
237.14745	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	273.1847
Annotation	Przewalskin
Peak:m/z	Relative Intensity
55.05505	32.0
57.07042	6.5
57.95306	5.2
58.06605	10.7
66.06182	5.2
69.07055	7.7
79.74200	5.3
81.07040	9.4
83.04993	9.3
83.08605	42.9
90.45193	5.4
91.05492	11.7
93.07043	8.0
95.08573	6.5
100.82253	6.0
105.07025	23.9
109.06580	6.3
117.07021	23.9
117.28732	5.9
119.08575	12.1
131.08505	10.6
145.06464	21.1
147.08144	7.3
161.09602	18.1
163.11174	8.0
201.12767	17.5
273.18463	100.0
282.96854	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	273.1848
Annotation	Przewalskin
Peak:m/z	Relative Intensity
57.07071	32.5
58.20877	5.2
65.38155	4.8
66.64664	4.7
71.55141	5.1
79.05487	8.6
81.07069	33.5
81.15122	7.1
85.06552	8.6
85.14330	7.0
91.05457	10.0
105.07052	11.3
109.06455	10.0
113.15266	7.7
121.06493	10.7
123.08105	8.2
124.23746	6.0
133.06583	6.5
135.08099	7.2
140.41628	6.1
147.08162	8.6
148.24141	6.4
162.04999	6.9
165.12759	15.7
173.62875	6.4
177.12727	10.0
189.12773	7.3
201.12822	20.5
252.37584	7.2
273.18442	100.0
279.99133	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	273.1847
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.88589	6.4
55.05536	10.1
67.05519	27.9
70.77924	7.6
71.04993	10.3
75.46104	6.9
81.07060	20.3
81.33945	7.1
83.04998	8.4
83.08647	8.1
87.25203	8.2
87.58466	8.9
88.60950	8.2
91.05499	30.4
93.07056	18.0
95.04963	54.0
95.08617	14.9
105.07059	22.5
107.08611	17.7
109.06497	63.9
109.10164	17.6
109.56004	7.7
111.08131	11.7
119.08564	47.3
119.22732	8.4
121.10173	19.7
123.08108	34.2
129.07074	10.5
131.08615	36.0
133.10182	15.2
135.08104	21.4
136.08788	10.1
137.09616	20.8
142.07845	10.5
143.08632	28.1
145.10107	66.5
147.11780	25.2
151.11252	11.7
156.09366	21.2
157.10086	45.8
159.11736	18.3
161.09654	9.1
171.11734	25.1
173.09781	10.2
173.13342	34.0
185.13374	12.0
187.11284	28.6
187.14949	10.8
189.12772	12.8
197.13313	19.8
199.11205	19.3
205.46153	8.6
206.45927	8.2
213.16475	15.5
215.14258	59.0
231.17490	18.9
241.12833	12.7
255.17557	35.2
273.18478	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2424
Annotation	Jalapinolic acid
Peak:m/z	Relative Intensity
55.01847	7.4
55.05505	61.0
56.96546	6.4
57.03409	9.2
57.07062	12.0
65.75469	4.4
67.05497	76.0
69.07062	95.7
71.04971	24.0
71.08620	6.2
72.57621	5.0
73.06516	5.4
79.05484	30.0
81.07051	100.0
83.04948	11.9
83.08616	62.6
85.06512	13.7
87.98374	6.5
91.05466	7.2
93.07040	42.9
95.08604	76.1
97.06516	10.9
97.10165	27.4
99.07950	4.9
105.07005	6.2
107.08586	20.0
109.10170	40.9
111.04476	6.4
111.08113	8.5
121.10139	25.9
123.11710	19.5
135.11653	28.6
137.13251	7.7
149.13298	15.9
153.12685	10.1
237.22174	20.3
255.23108	59.6
273.24298	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	273.2423
Annotation	Jalapinolic acid
Peak:m/z	Relative Intensity
53.00301	4.4
55.01857	13.0
55.05286	5.5
55.05508	59.4
56.25172	5.7
57.03424	5.5
57.07063	16.5
67.05501	48.7
69.07059	100.0
71.04991	15.5
79.05478	22.3
81.07039	49.0
82.03262	4.3
83.04969	14.0
83.08605	74.4
83.36207	5.3
85.06512	7.5
87.96841	4.7
91.05463	9.3
93.07045	44.0
95.04972	5.8
95.08594	51.8
97.06523	18.9
97.10152	6.1
104.85895	4.8
107.08599	30.5
109.10164	17.9
111.08063	15.0
121.10144	13.9
123.11650	7.6
130.76132	5.0
135.11697	41.0
139.11263	4.9
149.13271	10.9
153.12735	13.5
201.12523	5.3
219.21057	8.2
237.22108	23.5
255.23180	69.7
273.14520	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2574
Annotation	beta-Springene
Peak:m/z	Relative Intensity
55.05511	15.2
55.28841	6.8
56.67931	6.7
57.07072	12.5
64.99325	7.1
65.61621	6.7
66.62759	6.4
67.05490	35.7
69.07051	35.7
69.30257	6.8
73.74125	7.1
79.05470	14.5
81.07043	84.3
83.08617	19.1
84.15190	8.4
91.05463	12.3
93.07024	55.9
95.08604	93.3
97.10168	14.1
105.07027	21.0
107.08585	60.3
109.10154	68.1
119.08582	24.9
121.10133	59.5
123.11710	50.4
133.10077	9.3
135.11705	32.0
137.13295	10.8
147.11714	17.2
149.13277	42.1
151.14888	11.5
161.13275	28.6
163.14806	25.9
175.14911	11.9
177.16408	12.9
189.16411	22.1
203.17970	14.8
217.19516	29.8
232.13936	9.7
273.22607	11.3
273.25662	100.0
284.08261	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	273.2574
Annotation	Trixagoene
Peak:m/z	Relative Intensity
50.88364	2.6
53.53225	2.5
55.05488	10.7
55.10496	2.8
57.07055	5.6
67.05489	28.5
69.07063	23.5
79.05471	9.1
81.07044	100.0
83.08604	10.1
91.05465	4.8
93.07039	26.9
93.54095	3.5
95.08598	74.0
95.09161	6.3
97.10140	7.1
105.07003	8.4
107.08586	36.8
109.10150	57.3
111.11725	5.2
112.45867	2.6
119.08602	5.9
121.10128	29.6
123.11682	16.3
128.01930	3.3
133.10121	5.8
135.11719	17.8
137.13229	3.2
140.13637	3.5
145.45117	3.6
147.11639	5.9
149.13240	48.9
163.14786	34.8
170.10497	3.4
175.14893	3.6
177.16399	10.7
179.17999	5.0
191.17981	4.6
217.19576	7.4
273.25699	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13198	3.1
56.05019	5.1
56.96564	33.0
65.03935	6.2
67.05492	14.3
69.07045	4.3
70.06590	38.2
72.08135	16.3
80.05012	10.7
80.21052	4.0
81.07031	6.1
83.04939	4.5
84.04496	82.4
84.08128	18.6
84.96026	4.3
85.02909	4.1
86.09699	100.0
90.57703	3.6
91.04205	5.3
91.05450	4.8
95.08580	7.6
97.01090	5.1
98.97591	7.0
99.02648	6.5
101.07176	5.1
110.43289	4.4
116.07127	7.0
120.08108	31.3
120.26644	4.2
121.08436	5.1
122.37523	3.9
126.03716	18.3
129.10199	9.4
131.11763	5.3
140.00198	7.4
144.06557	78.0
147.03293	5.6
158.01285	9.5
161.04807	6.5
161.09207	67.3
162.11040	4.1
170.02698	92.7
170.04875	6.3
179.15598	5.0
181.02797	8.8
184.06422	9.0
188.08362	4.5
191.63719	4.5
214.03986	9.2
256.04932	5.4
257.14917	8.0
274.03772	16.8
274.17599	13.1
297.07352	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	275.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07052	4.9
61.06260	4.2
62.17654	4.1
69.03415	5.9
73.22757	4.7
81.33225	4.9
83.04964	5.9
93.03399	10.6
95.04961	13.5
95.19748	4.8
101.00857	28.0
104.68781	4.8
111.04439	5.3
119.01915	92.2
121.02870	24.8
124.02471	11.2
127.02406	8.0
128.43695	5.1
137.02933	24.9
142.03502	60.9
145.03448	48.6
150.04013	10.6
157.03519	11.1
160.04572	14.9
161.02968	8.6
165.05092	31.1
167.01706	6.0
168.05109	29.1
169.03481	70.0
171.05026	11.6
180.05063	6.2
184.04558	8.6
185.02986	21.0
187.04533	58.0
191.06645	10.8
194.06682	12.7
195.05040	7.8
197.03046	16.2
208.04581	21.8
210.06102	64.7
215.04066	10.4
220.04591	6.1
221.02916	9.1
229.05513	31.2
234.06111	7.7
238.05629	11.0
247.06688	16.8
256.31802	6.6
257.05157	10.3
270.08237	26.4
275.06079	100.0
293.07239	16.9
298.07700	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	275.0912
Annotation	Methysticin
Peak:m/z	Relative Intensity
53.43538	3.6
55.10947	3.6
55.30592	3.7
57.03425	7.8
69.03423	36.4
72.66895	3.9
75.04501	5.5
84.18980	4.6
91.05488	8.1
95.04942	4.3
95.67758	4.1
103.05493	6.6
103.75356	3.9
107.04935	34.0
110.24471	4.6
115.05440	30.1
117.07001	26.2
119.04985	7.2
123.04427	9.9
128.06215	7.4
129.06999	11.9
131.04993	7.9
133.06519	4.9
141.07072	11.6
143.04984	13.4
145.06491	49.9
147.04382	24.7
155.04994	13.0
155.06119	7.3
157.06474	29.2
159.04486	6.9
161.05988	6.8
165.07042	9.2
169.05061	14.5
169.06471	8.2
171.04407	100.0
173.05974	67.5
177.05499	12.0
183.08057	7.3
185.05971	42.1
187.07643	14.9
189.05516	7.1
191.03497	11.3
197.06104	18.0
199.03934	13.8
201.05577	10.9
211.07529	22.3
213.05460	30.8
229.08739	9.2
239.07088	32.8
250.71718	5.7
257.08148	18.3
275.09131	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	275.0912
Annotation	Lecanorin
Peak:m/z	Relative Intensity
55.05499	4.7
67.05486	2.9
69.03423	11.7
81.07044	3.9
83.04969	16.6
91.05470	10.4
95.04953	10.2
97.02881	12.3
107.04951	100.0
107.05692	5.3
119.04949	15.9
123.04448	16.8
133.06528	4.5
147.04408	62.9
151.03891	5.6
161.06020	5.8
165.06964	4.2
169.04955	38.7
169.06319	5.2
173.05933	8.7
177.85641	3.8
187.07368	6.9
211.07532	4.9
251.01884	3.4
257.07938	20.6
275.09177	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	275.091
Annotation	Lecanorin
Peak:m/z	Relative Intensity
50.86603	1.5
53.03944	1.4
53.72574	1.5
55.01857	2.2
55.05492	1.6
55.31816	1.5
56.96549	2.0
67.05489	2.7
71.31021	1.5
79.05488	2.0
81.03399	3.2
91.05502	2.0
92.15955	1.7
95.04977	8.1
104.68894	1.5
105.03393	2.4
118.88760	2.1
123.04452	6.3
127.03913	2.1
140.00002	1.9
151.03896	100.0
152.04239	2.1
155.23868	2.0
180.84679	1.8
296.62506	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.9
56.96543	2.9
66.09052	3.2
66.22558	1.9
67.05514	3.2
68.40305	2.1
69.07060	2.9
70.06577	12.4
71.04975	4.7
71.88627	2.3
72.73878	2.0
73.06483	2.0
74.06066	7.5
74.07748	2.3
81.07042	5.2
84.04496	4.7
84.08147	3.8
86.09717	12.9
88.07647	2.8
91.05468	7.2
98.06055	13.1
98.09689	13.6
115.05436	4.7
116.10735	22.8
117.05756	3.1
117.07025	3.7
118.06535	44.1
120.08109	6.9
130.06584	3.7
132.08087	38.8
136.06142	2.5
136.07603	3.2
142.06541	4.4
143.07245	3.1
144.06528	8.5
144.08083	28.2
146.06000	93.0
158.08395	11.3
170.06009	6.8
186.49672	2.5
188.07062	100.0
225.55203	2.6
229.13428	7.0
234.13466	6.0
275.09177	2.5
275.13925	13.5
275.19614	6.3
283.86777	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	275.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97261	1.2
54.99744	1.0
56.05027	3.0
67.05479	1.4
69.07059	2.2
70.06581	3.8
71.04954	1.3
72.08153	2.2
81.03465	1.2
84.04008	2.9
84.04494	43.0
84.08109	2.4
85.02908	1.3
86.09698	100.0
102.05539	11.1
108.52192	1.4
112.49313	1.4
116.07086	3.3
120.08088	4.2
135.18806	1.2
140.00372	1.2
144.06558	29.0
162.07605	56.8
171.31400	1.5
197.05713	1.5
215.13780	1.6
216.63002	1.5
257.14951	1.7
275.16147	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	275.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07435	1.7
55.01856	6.3
55.05292	2.0
55.05507	23.4
57.03423	7.6
57.07063	3.0
66.43465	1.7
66.59219	1.7
67.05496	62.2
69.03400	2.6
69.07054	44.2
71.04986	36.0
73.02901	5.2
79.05476	15.7
81.03419	4.7
81.07045	100.0
83.04974	9.2
83.08604	13.1
85.02895	67.3
85.06535	3.6
87.04469	8.4
90.37206	1.7
91.05481	18.9
92.52881	1.8
93.07035	20.1
95.01315	3.5
95.04961	13.0
95.05458	2.1
95.08603	32.4
97.06526	8.1
97.10174	4.6
99.04448	28.0
101.02375	8.7
103.03933	5.3
105.07017	27.2
107.08602	9.1
109.06517	4.7
109.10166	5.9
111.04449	5.8
111.11700	4.3
113.06042	2.3
115.03904	10.0
117.05473	2.9
119.08565	28.9
121.06487	4.6
121.10155	8.3
123.04472	3.3
123.08061	5.6
123.11693	35.9
125.05975	2.2
127.03910	6.0
129.07002	2.0
131.08510	4.0
133.06482	4.1
133.10104	11.5
135.07997	4.1
137.05949	2.5
137.09630	3.6
137.13242	4.8
139.07603	3.1
139.11195	9.0
141.12767	7.9
147.08052	5.0
147.11711	3.7
151.07549	3.6
155.14346	7.7
159.11731	7.1
159.82062	2.2
161.13232	23.8
161.77975	2.1
165.09102	4.7
168.36688	1.9
175.14799	12.1
179.14354	3.4
185.13290	5.6
193.15935	8.1
203.14273	10.3
221.15335	15.4
239.16508	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	275.2004
Annotation	Nandrolone
Peak:m/z	Relative Intensity
57.06836	1.8
57.07063	20.1
61.31548	1.8
67.05466	1.7
69.07048	1.6
71.08614	5.3
74.43008	1.6
76.04382	1.6
81.07041	10.2
85.06519	6.2
91.05459	2.3
93.07025	2.9
101.32741	1.9
105.07035	3.7
109.06491	8.8
121.06455	1.9
131.08566	2.9
131.97466	2.3
147.29816	2.0
149.09634	1.9
149.79533	2.2
167.14299	2.4
215.14320	2.4
275.20013	100.0
275.23529	4.2
275.24146	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.60759	3.0
50.86485	3.0
51.44863	2.6
53.00282	3.6
53.03926	3.4
53.42196	2.8
55.05494	12.1
55.11250	3.5
57.07061	12.1
67.05486	17.9
69.03420	5.9
69.07051	16.2
70.06578	7.5
71.04985	38.2
71.06887	3.3
79.05492	14.8
81.07056	26.9
82.10670	3.3
83.04962	18.4
83.08618	8.1
85.06528	16.2
88.07626	6.3
90.03814	3.1
91.05475	40.3
93.07039	46.2
93.23779	3.8
93.63615	3.2
95.04967	8.5
95.08600	39.5
97.06516	6.3
99.08080	5.2
105.07037	60.4
106.08679	3.9
107.04919	4.6
107.08578	39.4
109.06521	35.3
109.10146	19.1
111.08074	29.6
115.05356	4.1
117.07017	14.5
119.08579	63.2
121.06516	7.6
121.10151	47.0
123.08067	3.3
123.11723	15.1
125.02660	3.4
125.09583	5.5
128.06239	5.4
129.07014	11.5
131.08574	59.5
133.10126	55.3
135.08061	45.6
135.11716	8.6
137.09607	19.8
142.07809	13.4
143.08586	23.7
144.09335	6.6
145.10126	47.3
146.50076	4.1
147.11693	14.9
149.09586	10.9
155.08530	7.7
155.83678	3.7
156.09409	8.1
157.10132	44.1
158.10905	20.3
159.11705	70.6
161.09634	12.0
161.13293	7.0
163.11124	9.0
168.09338	5.5
169.10123	10.7
170.10918	4.2
171.11667	22.9
173.13257	100.0
174.14142	8.9
175.11180	12.7
175.14853	5.9
177.12752	19.1
183.11719	17.1
184.12398	6.3
187.11227	8.3
187.14862	14.4
189.12605	6.1
191.14285	13.4
197.13219	8.8
199.14819	33.3
201.12729	15.6
213.16496	7.4
215.14325	4.8
215.17917	6.2
217.15741	5.6
239.18005	9.5
257.18961	32.7
274.27362	9.9
275.19968	51.7
275.27789	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01845	6.6
55.05502	13.6
57.07061	17.4
63.58569	6.9
67.05495	22.7
69.07063	15.3
69.88135	7.8
70.06575	12.3
71.04979	33.1
79.05477	16.0
81.07052	18.9
83.04974	11.2
85.06538	26.4
88.07597	10.8
91.05468	36.6
93.07024	50.1
95.04972	17.3
95.08600	44.4
97.06516	11.0
99.08109	8.5
105.07011	64.2
107.08570	53.4
109.06506	28.9
109.10176	16.5
111.08094	36.0
112.46657	7.7
117.07035	17.2
119.08573	60.8
121.10131	51.2
123.11711	12.5
128.06259	8.1
129.07045	10.6
131.08543	49.1
133.10149	56.1
134.95729	8.8
135.08069	43.8
135.11690	14.9
137.09615	11.4
140.57300	8.9
142.07800	12.3
143.08577	31.1
144.09392	11.3
145.10121	45.6
147.11728	14.3
149.09662	9.9
155.08609	11.0
156.09250	8.4
157.10172	42.9
158.10944	23.3
159.11697	63.1
171.11691	25.8
173.13214	100.0
175.11163	12.5
175.14908	9.0
177.12651	15.2
183.11679	23.7
184.12567	9.2
187.11092	14.3
187.14792	20.4
191.14265	12.1
197.13211	17.8
199.14836	35.3
201.12756	19.5
213.16608	9.8
213.68472	8.6
214.51004	8.7
217.16135	9.9
239.18051	12.8
257.18951	30.8
273.92712	12.2
274.27380	15.9
275.20053	27.3
275.27777	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.20493	2.7
50.58200	3.0
55.01865	4.8
55.05492	10.9
55.14798	2.6
56.96555	8.4
57.07065	11.6
65.03925	4.5
67.05507	25.6
67.91367	3.0
69.03378	4.9
69.07049	18.8
70.06573	3.6
71.04988	35.0
73.02930	3.2
79.05486	14.8
81.07050	25.1
83.04973	12.0
83.08614	9.5
85.06529	21.7
88.07629	7.0
91.05456	35.7
91.77859	3.2
93.07030	37.8
95.04966	12.5
95.08593	30.1
97.06516	10.0
105.07030	60.2
107.08585	40.8
109.06498	28.5
109.10180	18.7
111.08064	35.4
113.06985	3.3
115.05422	4.1
117.07003	15.8
119.08572	66.0
120.22270	3.7
121.10143	48.9
123.08096	9.8
123.11722	8.9
123.95063	3.3
128.06245	8.7
129.06995	10.7
131.08560	60.1
132.43069	3.5
133.10130	53.8
135.01212	3.5
135.08047	54.6
135.11629	6.7
137.05981	44.7
137.09627	11.1
138.06323	5.2
139.11261	3.8
142.07811	18.5
143.08553	31.1
144.09334	7.9
145.10112	52.1
147.11655	18.3
149.09636	4.2
149.13208	5.1
155.08577	7.6
156.09341	8.5
157.10109	41.0
158.10867	24.6
159.11676	82.4
161.09573	6.5
161.13228	4.2
163.11153	6.9
168.09444	6.6
169.10158	12.2
171.11769	18.2
172.12392	4.8
173.09662	6.8
173.13222	100.0
174.14066	12.1
175.11224	18.0
175.14827	11.0
177.12761	26.0
183.11734	25.1
187.11189	10.3
187.14828	11.5
191.14307	15.3
197.13277	13.0
199.14792	29.2
201.12764	16.8
213.16446	11.1
215.17917	9.7
225.53865	4.1
226.11110	6.3
239.17923	12.5
244.88802	4.1
257.19064	34.9
274.27350	5.9
275.19998	32.1
275.27713	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	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
62.07542	2.7
67.05495	8.1
69.07049	18.8
75.79111	3.2
79.05482	5.8
81.07056	8.6
88.07623	5.2
90.60236	3.2
93.07049	8.3
95.04927	5.2
95.08600	13.4
99.44275	3.3
103.97528	3.1
104.23621	3.0
105.07048	15.2
107.08581	7.5
109.06561	4.3
109.10134	4.2
111.08059	26.4
117.07035	4.6
119.08617	8.0
119.52245	3.3
121.10127	8.2
122.07280	4.7
123.08067	20.7
131.08594	9.4
133.10115	5.9
135.08052	27.7
143.08510	4.7
145.10153	7.7
147.11705	6.7
157.10136	8.1
171.11716	15.8
173.13396	4.8
174.36679	3.5
176.11945	5.6
180.85811	3.7
181.12234	14.3
191.14305	100.0
193.43327	3.9
199.14864	4.6
215.17725	4.5
217.16002	5.5
251.88206	3.9
257.19058	6.5
263.88162	4.2
275.20010	31.9
275.27805	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	275.258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11696	6.0
55.05491	35.9
56.96548	11.9
57.07063	10.6
57.14658	6.3
67.05494	71.4
69.07066	50.3
71.04979	9.9
81.07046	100.0
83.08614	45.0
86.94960	6.5
89.52187	7.7
91.71027	11.0
93.07082	10.1
95.08600	89.3
97.10160	36.4
101.07295	7.7
105.07076	15.0
109.10156	34.9
112.86675	8.4
119.08524	10.4
122.96255	10.4
123.11694	23.4
262.13818	9.5
275.20071	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	276.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37979	7.0
51.63501	7.3
55.80249	6.7
56.96551	64.3
57.07060	7.8
69.37868	6.9
98.97585	100.0
116.98629	54.7
126.06723	9.5
134.99657	19.7
140.00168	68.7
140.23988	8.9
141.27644	10.7
150.04912	8.0
157.69865	8.4
158.01236	30.2
181.02875	30.0
235.02769	64.9
253.03856	23.0
268.49518	10.3
276.05371	73.4
294.06360	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	276.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80446	1.0
51.68505	1.1
57.71516	1.6
58.06591	27.3
58.44640	1.1
59.07374	10.1
60.08153	13.1
67.04240	3.4
69.62706	1.4
70.48529	1.1
81.49363	1.5
83.99089	4.5
84.04490	5.2
93.04488	1.5
96.04475	3.3
97.04013	6.1
98.06053	2.5
109.04020	1.8
113.10765	2.3
125.01718	1.7
126.05528	4.6
129.01208	2.3
129.09831	1.5
130.04994	3.2
138.05479	12.6
141.01169	34.0
142.01933	1.5
143.02750	3.3
144.06552	2.1
166.99097	1.6
185.06200	5.7
186.07497	1.5
200.08505	100.0
202.10120	3.4
244.07475	14.2
276.10086	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	276.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70280	1.7
53.60255	1.6
55.05531	1.7
58.06593	23.4
59.07382	10.8
59.99955	1.4
60.04527	8.9
60.08150	15.7
67.04263	2.7
67.05517	1.8
70.06596	5.6
71.36452	1.5
72.08144	21.4
72.08459	1.7
74.00656	2.5
74.06091	3.4
74.70688	1.8
78.52944	1.7
81.03421	2.8
82.02962	6.6
83.99109	5.9
84.04490	10.6
84.08157	7.7
86.09728	6.7
97.04037	5.5
108.03255	2.1
113.10783	2.4
114.09151	1.8
120.08128	3.1
125.01720	3.1
128.07111	2.7
129.10237	4.3
130.05061	2.5
134.04756	2.0
138.05516	5.7
141.01173	35.1
143.02737	2.5
145.07970	2.1
159.07681	2.4
159.11360	6.4
159.55658	1.9
168.92944	2.1
173.12946	2.3
179.46909	2.4
185.06097	3.8
187.10870	2.1
188.78288	2.1
200.08517	100.0
201.09320	3.9
230.10266	2.5
244.07535	14.3
276.10147	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	276.1957
Annotation	MGK 264
Peak:m/z	Relative Intensity
55.29090	0.6
56.96545	1.2
57.07044	2.4
59.52668	0.6
66.71379	0.7
67.01254	0.6
68.05008	1.2
77.78983	0.7
79.05436	0.8
81.07038	0.9
86.63583	0.7
89.58263	0.8
91.05439	1.6
91.71600	1.0
93.06992	0.8
93.46635	0.6
95.08593	1.1
103.33797	0.7
105.07014	1.1
107.08537	0.7
114.00612	0.7
115.87986	0.7
117.06988	0.9
119.04935	1.3
131.08551	4.1
132.08133	1.0
132.14323	0.9
145.08754	0.7
145.10063	0.9
146.09645	0.9
157.04883	0.9
159.08014	0.7
190.12270	1.0
204.13766	2.4
205.14548	2.1
215.14270	1.0
216.13712	1.0
232.16873	1.0
233.14008	2.7
276.19547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	3.5
61.81255	3.4
64.45280	3.4
64.72500	3.3
66.12194	3.1
81.03416	7.2
89.88645	4.5
91.71058	6.4
101.00882	11.9
103.52522	3.6
108.52619	3.8
109.02890	5.4
119.01923	35.0
124.02481	9.8
131.01880	5.0
135.16992	3.8
137.02927	5.6
142.03467	22.1
143.01883	12.8
151.04445	4.6
151.54414	3.9
155.01878	5.0
157.03484	14.4
161.02930	25.2
165.05118	8.3
168.05153	5.5
173.02963	9.5
175.04596	10.4
180.05020	10.5
183.05136	4.6
184.04532	19.7
185.02896	8.2
196.04573	7.5
198.06126	5.4
199.04431	5.0
203.04178	5.5
208.04485	4.2
240.79100	4.3
277.07657	100.0
290.98093	5.7
295.08752	14.2
299.85443	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	277.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32315	3.7
53.52142	3.3
69.07070	5.1
71.40988	3.3
81.03380	6.1
96.49075	4.7
98.97582	7.5
101.00864	9.6
109.02924	5.5
113.81508	4.2
119.01928	33.9
119.25109	5.1
121.02815	4.5
124.02498	5.9
125.02692	4.2
125.28715	4.3
133.03467	5.5
137.02988	4.9
141.05238	4.9
142.03481	29.4
157.03435	14.7
161.02957	7.6
163.66211	4.5
165.05106	16.8
175.04480	8.5
180.04985	5.9
184.04489	12.4
191.39851	4.7
198.06107	8.4
199.04507	5.1
277.07678	100.0
295.08679	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	277.1068
Annotation	CHEBI:69071
Peak:m/z	Relative Intensity
50.91732	5.7
53.91010	5.2
64.89573	6.4
65.13708	7.4
65.77816	7.8
67.05486	18.2
69.03410	21.5
75.88678	6.3
76.29001	6.8
79.05470	11.7
81.07054	11.7
91.05473	75.4
93.07011	28.0
97.02882	95.7
105.07024	30.9
115.05460	12.9
117.07003	24.7
117.35595	7.4
119.08582	100.0
121.06498	20.7
121.10147	9.0
128.06258	9.9
129.07014	20.2
131.08551	11.9
135.08073	12.3
141.07021	12.4
141.19464	9.1
142.07796	47.4
143.08559	15.7
145.06570	10.3
145.10155	10.7
147.08049	77.6
157.10126	37.4
159.08073	25.6
159.11647	10.0
170.07275	8.6
185.09622	86.2
213.09096	73.1
231.10149	70.9
241.08592	51.5
259.09628	61.2
277.10773	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	277.141
Annotation	Saccharopine
Peak:m/z	Relative Intensity
53.32570	1.9
53.63924	1.5
63.11954	1.9
84.38111	2.0
98.13522	1.9
113.50164	2.6
114.19707	1.9
121.43038	1.9
140.97348	2.5
159.11755	2.1
162.09064	2.3
184.21327	2.0
277.14084	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14787	3.6
55.45343	4.0
56.96555	11.9
67.05469	5.3
69.07056	5.7
71.04939	3.7
88.07607	7.7
95.08614	7.7
104.90668	4.2
107.96681	4.8
121.80319	4.4
148.07532	4.6
276.25491	8.0
277.07516	6.7
277.14102	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1433
Annotation	9-Hydroxyoudemansin A
Peak:m/z	Relative Intensity
53.03923	4.7
55.01851	3.7
55.05495	9.5
57.07070	2.9
61.56740	2.4
63.59941	2.1
65.03924	7.9
67.05485	11.1
69.03420	6.1
69.07055	2.4
79.05481	45.1
81.03389	2.8
81.07048	12.0
83.04957	11.2
91.05470	86.5
93.07024	22.2
95.04964	21.4
95.08591	16.4
96.42931	2.6
97.02853	3.6
97.06484	3.8
103.05479	3.3
105.03400	12.0
105.07014	35.4
107.04946	3.1
107.08582	51.2
109.06518	23.1
115.05414	13.6
117.06997	11.2
119.08624	6.4
121.06490	7.2
123.08013	18.8
125.01617	2.8
128.06212	12.4
129.07010	28.1
131.04901	3.5
131.08553	10.6
133.06471	4.1
135.08040	100.0
137.05949	25.0
141.06992	4.8
142.07771	5.2
143.04887	6.3
143.08553	12.3
144.05634	3.4
145.06493	6.9
145.10083	4.0
154.70653	2.9
156.09380	7.1
157.06458	7.7
157.10143	5.1
161.06017	2.7
162.86272	2.8
171.11650	13.8
175.07574	3.7
181.10147	9.0
185.09521	3.3
189.09026	3.6
191.08647	3.6
199.07484	5.8
199.11185	35.4
200.11787	2.7
203.06995	3.5
203.10716	3.4
217.08771	2.8
219.08134	4.2
227.10649	21.1
231.10236	3.5
231.13864	4.4
235.09912	3.0
249.09148	2.9
252.99684	3.0
259.13269	25.3
277.08524	6.1
277.14349	37.8
277.17438	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	277.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03753	2.3
53.03938	26.9
62.90507	2.6
64.62514	2.9
67.05507	4.5
69.56715	2.5
71.04975	7.9
71.50237	3.0
79.05491	20.9
81.03416	46.3
81.07006	4.1
81.69467	3.1
87.09045	2.8
91.05452	3.8
91.71564	3.4
92.35687	3.0
93.07022	6.3
94.06561	4.3
95.04960	3.4
105.07018	4.7
105.14463	2.8
107.05013	4.4
107.08592	4.2
117.07068	3.4
129.83043	3.1
132.59418	3.1
151.07520	6.8
175.11096	4.8
180.80107	3.5
206.46254	3.6
217.12244	26.2
263.12762	100.0
277.98370	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	277.1433
Annotation	Ethambutol Hydrochloride
Peak:m/z	Relative Intensity
55.66863	1.7
56.96558	4.0
57.07061	5.2
59.04977	10.3
62.70221	1.9
67.05489	7.1
69.03418	6.0
79.05471	4.3
81.03412	2.5
81.07043	10.9
86.20685	2.2
89.95611	2.2
91.05472	9.6
93.07016	3.5
103.05450	3.1
105.07007	8.2
107.04948	2.5
107.08571	2.3
109.06507	9.1
113.68188	2.6
115.05428	2.4
117.02181	1.9
119.04937	5.5
119.08575	6.9
119.57624	1.9
121.06510	3.7
122.58974	2.6
128.06178	4.7
129.07016	6.7
131.04945	5.2
131.08513	2.8
133.06415	2.8
135.49036	2.5
136.39142	2.3
143.08611	5.2
145.06525	5.6
146.07231	2.4
147.08035	10.7
157.06436	2.4
161.05986	6.9
161.09615	5.1
171.07990	14.0
171.11734	3.1
175.11153	5.0
189.09094	33.9
205.08054	2.8
206.32997	2.7
206.44217	2.8
217.12173	11.8
231.13776	3.2
277.14346	100.0
277.17642	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	277.1798
Annotation	Buddledin A
Peak:m/z	Relative Intensity
55.01870	2.0
57.07071	71.0
67.05485	4.1
68.20264	2.5
69.07050	2.6
71.57653	2.1
73.75702	2.3
74.58456	2.3
79.05476	2.3
81.07040	5.6
93.07048	4.8
122.93980	2.5
123.04428	4.9
153.60991	2.6
174.13560	3.4
179.10632	31.7
217.15900	3.3
219.13686	4.4
235.16919	91.9
256.43274	2.6
277.17957	100.0
277.21011	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	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
55.05515	16.7
60.50006	2.8
67.05160	5.5
67.05489	45.1
69.07061	17.7
71.04971	4.0
77.59977	2.6
79.05484	63.4
81.07047	39.2
83.08578	5.5
85.10249	2.3
91.05474	33.0
93.07035	100.0
95.04964	7.3
95.08588	25.4
97.10202	3.7
105.07029	14.5
107.08593	47.1
109.10132	13.9
119.04912	3.0
119.08586	14.1
121.10129	43.1
123.11653	5.2
123.62614	3.4
125.70305	2.8
131.08519	3.0
133.10133	11.0
135.11697	45.3
147.04396	10.6
147.11755	6.2
149.13269	19.8
149.39909	3.0
159.11670	3.7
161.13269	4.1
190.05379	3.2
221.84325	3.6
277.21570	47.6
277.24475	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	277.2161
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
51.02382	2.5
52.29138	2.2
53.03963	2.5
55.05510	14.7
55.12452	2.2
57.07081	6.6
67.05490	31.9
69.07052	16.8
79.05483	51.4
79.05920	3.1
81.07050	30.0
83.08613	4.4
90.01753	3.0
91.05461	38.6
91.13478	2.4
93.07033	100.0
95.04441	2.7
95.04919	14.2
95.08595	22.9
97.10184	3.1
105.07010	15.2
107.08581	43.9
107.09248	3.0
109.06581	3.2
109.10188	11.5
117.07098	7.0
119.07876	2.7
119.08624	13.2
121.10141	38.3
131.08594	4.7
133.10162	8.9
135.11665	35.6
135.12503	2.9
143.08612	3.4
147.11705	5.0
149.13242	14.1
161.13243	6.4
163.11205	3.2
163.14833	3.2
171.46718	3.4
200.98036	3.3
207.13820	4.3
217.12321	10.4
277.18533	5.4
277.21564	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	277.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.6
57.07067	49.6
64.26703	5.6
67.05498	11.3
69.07058	11.0
71.08620	67.4
76.04208	4.6
79.05455	12.2
81.07037	13.8
84.62018	4.6
85.10172	31.0
86.07578	5.4
87.41751	4.8
89.06019	100.0
93.07040	19.3
95.04971	6.5
102.45062	4.9
102.85651	5.4
105.07055	6.9
107.08568	10.6
121.10178	5.8
130.08627	29.6
133.08636	16.3
133.09982	5.4
135.11684	9.3
137.82962	4.9
151.09647	46.3
179.10625	5.4
228.63200	6.0
277.21484	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	278.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05012	4.1
56.33079	1.1
56.96542	1.0
57.07059	4.9
58.06595	7.9
60.04506	2.9
61.48106	0.9
64.25495	0.8
69.07034	1.3
71.08613	2.0
72.08126	3.1
74.06077	6.0
86.06059	6.5
88.07623	38.3
100.07593	2.4
102.09183	1.3
104.07085	4.7
118.08655	1.6
123.43139	1.2
132.10173	8.8
149.02299	1.2
152.28632	1.2
162.11206	3.6
166.10776	3.3
186.18526	45.7
191.75322	1.1
202.85056	1.2
210.02652	1.2
225.86845	1.1
230.21146	14.4
260.22357	1.8
278.23245	100.0
278.48679	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97039	10.2
81.96579	11.2
83.90295	11.5
124.90274	12.8
161.23393	14.3
165.14391	12.6
178.84230	13.2
279.04724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46896	2.6
53.79768	2.8
55.01889	3.4
55.05513	2.9
57.07066	19.6
58.18571	2.8
63.87852	3.0
65.03924	3.1
67.05495	4.6
69.03407	7.9
71.95632	3.2
79.05498	7.4
80.01967	2.7
80.03879	3.2
81.07034	14.0
84.49703	3.0
86.09686	5.9
91.05474	23.7
93.07040	10.9
95.04972	8.5
95.48695	3.3
97.02881	36.4
105.07023	17.8
107.04960	5.2
107.08607	8.4
111.04417	3.6
115.70877	3.2
117.07009	14.3
118.07794	5.9
119.08582	14.4
121.06522	10.9
122.07515	3.8
123.08057	5.3
128.06206	9.8
129.06985	7.6
131.08571	13.7
133.06512	6.2
135.08057	7.0
137.05959	12.9
141.06995	11.3
142.07747	4.2
142.16968	3.6
143.08551	10.8
145.06491	9.6
145.10097	4.3
146.07237	12.6
147.08060	8.4
149.02333	100.0
149.05957	7.7
151.07574	5.5
153.06960	4.4
154.07776	10.5
155.08566	4.2
156.09267	5.0
159.08086	13.0
159.11705	9.1
163.07567	13.5
167.07060	7.1
169.10086	20.6
172.08833	4.9
173.09648	5.7
179.08566	6.0
182.07307	4.1
187.11139	8.6
190.04953	6.9
197.09654	24.0
199.11238	6.2
215.10643	28.4
225.09125	10.4
243.08098	4.5
243.10191	28.1
261.11252	24.9
279.12213	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	279.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46896	2.6
53.79768	2.8
55.01889	3.4
55.05513	2.9
57.07066	19.6
58.18571	2.8
63.87852	3.0
65.03924	3.1
67.05495	4.6
69.03407	7.9
71.95632	3.2
79.05498	7.4
80.01967	2.7
80.03879	3.2
81.07034	14.0
84.49703	3.0
86.09686	5.9
91.05474	23.7
93.07040	10.9
95.04972	8.5
95.48695	3.3
97.02881	36.4
105.07023	17.8
107.04960	5.2
107.08607	8.4
111.04417	3.6
115.70877	3.2
117.07009	14.3
118.07794	5.9
119.08582	14.4
121.06522	10.9
122.07515	3.8
123.08057	5.3
128.06206	9.8
129.06985	7.6
131.08571	13.7
133.06512	6.2
135.08057	7.0
137.05959	12.9
141.06995	11.3
142.07747	4.2
142.16968	3.6
143.08551	10.8
145.06491	9.6
145.10097	4.3
146.07237	12.6
147.08060	8.4
149.02333	100.0
149.05957	7.7
151.07574	5.5
153.06960	4.4
154.07776	10.5
155.08566	4.2
156.09267	5.0
159.08086	13.0
159.11705	9.1
163.07567	13.5
167.07060	7.1
169.10086	20.6
172.08833	4.9
173.09648	5.7
179.08566	6.0
182.07307	4.1
187.11139	8.6
190.04953	6.9
197.09654	24.0
199.11238	6.2
215.10643	28.4
225.09125	10.4
243.08098	4.5
243.10191	28.1
261.11252	24.9
279.12213	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	279.1225
Annotation	Hieracin II
Peak:m/z	Relative Intensity
55.05504	11.2
57.07071	19.3
65.03929	7.0
67.05501	20.7
69.03410	13.3
69.07031	5.3
70.06563	6.4
79.05487	7.2
81.07048	6.9
83.04961	34.7
86.09698	27.1
91.05487	14.2
91.92120	3.7
93.03383	5.1
93.07040	10.9
95.04961	13.9
95.08607	15.1
97.02877	6.5
105.07010	19.1
107.04952	12.8
107.08581	6.4
109.06524	5.7
111.04436	68.9
117.07021	9.2
119.08598	12.8
120.08086	5.2
121.02875	12.9
121.06499	7.0
123.08084	8.6
129.07001	8.5
129.84384	4.4
131.08554	9.3
133.06468	9.8
135.08038	5.1
137.06017	5.1
139.03885	34.3
139.07567	6.8
143.08578	9.7
145.06496	5.2
146.07253	5.5
147.08037	5.9
149.02332	100.0
149.03546	5.4
154.07797	8.0
156.09279	5.8
159.07988	5.0
159.11725	5.8
163.07617	5.4
169.08705	5.1
169.10095	8.8
175.07495	6.5
179.07077	4.6
181.08568	11.4
182.07309	7.9
190.05064	7.6
197.09593	19.1
199.11208	7.9
205.08659	13.0
215.10687	13.4
225.09192	8.2
233.11740	14.0
243.10124	54.0
261.11102	23.9
279.09546	7.0
279.12201	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	279.1227
Annotation	Hieracin II
Peak:m/z	Relative Intensity
52.67900	1.6
55.05497	2.8
56.23563	1.8
57.07073	22.0
57.14331	1.8
63.88759	1.7
65.03923	2.9
67.05489	6.8
69.03432	3.6
71.04987	5.4
75.29275	1.7
79.05504	10.1
81.07047	8.8
83.04986	2.5
86.09695	6.3
91.05450	15.2
93.03422	2.6
93.07047	7.7
95.04967	11.3
95.08597	4.4
97.02888	8.1
99.04455	51.3
105.07030	17.5
107.04960	5.0
107.08594	13.6
109.06542	3.9
115.05436	3.7
117.07023	6.9
119.04915	2.3
119.08551	2.9
120.08099	5.3
121.02890	7.5
121.06488	10.2
123.04420	2.7
123.08081	4.4
131.08528	3.9
132.05284	2.3
132.27351	2.0
134.07320	10.8
135.00363	2.4
135.08044	17.2
137.05981	6.3
145.06450	3.2
145.10182	2.6
149.02336	100.0
153.09055	2.6
159.11789	2.2
163.07538	27.8
173.09654	3.1
181.08557	14.1
187.11240	3.4
190.05026	5.4
215.10664	9.9
219.05746	5.3
243.10146	13.1
261.11282	12.9
261.14752	2.6
279.09381	5.5
279.12323	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	279.1339
Annotation	Prolyl-tyrosine
Peak:m/z	Relative Intensity
56.96550	4.6
57.07067	13.6
62.94958	1.4
65.03916	2.8
67.05476	2.7
69.03411	1.4
69.96288	1.5
70.06581	54.9
70.06943	3.6
74.06058	2.3
76.45712	1.5
78.10615	1.6
81.07087	2.6
84.04491	2.3
84.08142	2.0
84.46535	1.6
86.09699	1.9
90.02992	1.5
91.05469	31.2
98.97521	3.4
107.04931	2.2
111.04462	2.0
114.05544	4.0
115.23050	1.9
116.07085	85.2
119.04935	20.1
120.08100	2.7
121.02856	6.7
121.06527	2.7
121.23755	1.7
134.17830	1.7
136.07570	94.1
140.00174	2.7
147.04449	3.6
149.02332	100.0
158.01305	1.9
164.26831	2.1
181.02832	2.8
190.04945	8.5
200.02182	2.6
219.05621	2.7
262.10593	3.0
279.09464	4.8
279.13422	19.8
289.48682	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	279.1589
Annotation	Monooctyl phthalate
Peak:m/z	Relative Intensity
53.30875	0.3
57.07067	26.9
65.03925	2.0
73.91508	0.4
93.03397	0.8
111.58110	0.4
121.02853	5.1
121.03917	1.0
149.02327	100.0
150.02612	0.4
167.03374	1.5
176.94064	0.4
181.19145	0.4
183.86031	0.4
190.04991	3.4
205.08508	0.5
267.86661	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1703
Annotation	Leu Phe
Peak:m/z	Relative Intensity
51.11610	0.7
51.26056	0.7
68.14452	0.9
83.06445	1.0
83.61992	0.9
86.09700	100.0
91.71709	1.3
94.05618	0.9
101.78190	0.9
103.05483	3.3
104.15674	0.9
120.08099	53.8
132.10213	1.3
149.02368	3.8
166.08598	7.4
170.55782	1.0
213.36475	1.2
233.16454	1.2
234.04224	1.1
273.00885	1.0
279.17059	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	279.1703
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
57.07061	9.1
65.03913	1.2
67.05502	1.5
69.07056	10.5
73.39480	1.0
78.51089	0.9
79.08067	0.9
84.81250	0.9
86.09695	100.0
91.05465	1.7
105.07078	1.6
111.04449	1.3
120.08075	6.0
121.02903	3.2
149.02325	43.9
149.09613	1.2
166.08699	2.6
190.05078	2.7
212.46609	1.0
219.05780	1.9
227.36636	1.2
261.15149	1.4
279.09674	1.9
279.17065	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	279.1704
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
51.55095	0.7
55.05485	0.9
57.07068	9.0
65.03919	1.0
65.46935	0.7
67.02894	0.7
67.05490	2.1
67.18462	0.7
69.03419	1.3
69.07038	0.8
70.06578	1.8
70.77654	0.7
71.30078	0.7
72.08144	1.2
81.03417	0.7
81.07043	1.3
83.04990	1.2
84.04482	0.9
86.09700	10.8
87.16821	0.8
91.05453	2.1
93.07035	3.3
95.04950	2.7
95.08607	1.2
103.05453	7.6
105.07031	2.6
117.07066	1.5
119.08575	1.1
120.08093	100.0
121.02873	2.8
123.08072	0.7
129.06914	0.9
131.08548	1.1
132.10214	2.8
138.59734	0.8
139.03818	0.9
145.10197	1.0
146.07257	0.8
149.02325	40.6
173.09630	3.5
174.10291	1.2
175.11087	1.4
190.05013	2.8
215.10597	1.1
219.05652	1.5
233.11752	1.6
233.16501	1.7
243.10226	1.0
261.11301	1.2
279.09375	2.5
279.12259	1.7
279.17090	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	279.2317
Annotation	4-[3-(4,8-Dimethyl-3,7-nonadienyl)-3-methyloxiranyl]-2-butanone
Peak:m/z	Relative Intensity
53.03942	3.1
55.01868	2.9
55.05497	8.8
56.96545	3.0
57.03432	1.8
57.06839	2.1
57.07070	23.1
63.98513	1.8
65.03921	5.5
67.05503	24.7
69.03418	5.7
69.07054	16.3
71.04990	2.5
79.05481	9.5
81.03410	35.5
81.07052	19.2
81.61479	1.9
83.04966	4.5
83.08619	2.6
83.36306	1.8
85.02891	3.2
91.05451	10.7
93.07015	10.5
95.04950	24.3
95.08599	16.5
97.02912	4.5
98.97607	2.3
105.07027	7.4
107.04918	12.4
107.08601	7.8
109.10167	7.9
117.07042	3.5
119.08565	4.1
121.02864	9.9
121.06500	9.7
121.10143	5.8
123.11751	3.0
131.08533	6.9
135.08041	4.5
135.11702	4.2
140.00197	2.4
145.10121	3.7
149.02330	100.0
149.09683	2.7
151.07521	4.3
190.05040	7.7
200.02386	2.2
219.05670	8.1
243.20990	3.0
245.11742	6.4
261.22168	3.1
279.09439	7.5
279.23251	6.0
280.09323	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38828	2.2
55.05495	8.4
57.07065	19.8
57.19854	2.3
60.92085	2.3
62.70402	2.2
65.03922	5.2
67.05184	3.1
67.05499	52.0
69.07052	9.9
69.32220	2.9
79.05473	10.4
81.07042	49.5
83.08590	7.9
85.06535	4.8
85.31631	3.0
91.05461	7.1
93.07034	11.4
95.01327	4.9
95.04958	4.5
95.08596	43.1
97.06511	3.1
105.07025	7.1
107.08575	6.9
109.10165	19.7
111.08076	3.6
121.10144	13.5
123.11686	6.6
128.77301	2.5
131.08578	4.5
133.10130	5.0
135.08067	3.1
135.11707	3.2
147.11723	4.0
149.02321	100.0
153.45181	3.1
154.41708	3.1
159.11751	3.7
161.13219	5.3
169.13852	2.8
188.47847	3.0
190.04900	6.4
219.05699	7.3
261.22321	3.5
279.09348	15.3
279.23203	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	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.05510	7.4
57.07079	6.7
65.03947	3.1
67.05495	100.0
69.07069	7.0
75.95655	1.2
79.05482	11.4
81.07046	97.6
83.05003	2.0
83.08627	3.6
85.06544	2.3
90.52654	1.6
91.05491	3.6
91.71638	2.4
93.07041	8.5
95.05000	2.0
95.08595	71.4
97.06532	2.2
105.07053	4.4
107.08638	7.5
109.10149	22.6
109.10841	1.8
117.07021	1.8
121.10178	5.3
123.11703	10.2
130.91052	1.5
131.08560	3.6
133.10202	3.1
135.11722	3.6
135.15826	1.6
137.13301	6.6
145.10182	2.6
147.11719	3.1
149.02335	28.9
149.09784	1.6
149.13313	1.9
151.14902	3.1
159.11784	4.0
161.13249	1.9
170.17966	2.0
173.13318	3.5
174.02036	1.8
177.12712	1.9
187.14925	2.6
187.56345	1.8
193.28091	1.9
223.16769	2.8
261.21948	2.0
279.09372	2.2
279.23160	15.4
301.38116	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	279.2316
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.28389	1.6
55.05510	6.8
57.07072	8.9
65.03944	3.1
67.05494	100.0
69.07076	9.2
79.05515	7.3
80.35064	1.8
81.07043	94.8
83.08633	5.2
91.70987	2.8
93.07056	6.6
95.08596	74.0
97.10224	3.3
104.99306	8.7
107.08618	5.3
109.10148	42.1
109.10848	2.8
121.10188	6.0
123.11707	23.4
131.08615	2.9
133.10147	2.1
135.11684	3.6
136.94969	2.1
137.09633	2.5
137.13298	9.3
144.48940	2.0
149.02315	20.6
149.13315	2.7
182.60791	2.8
187.14833	3.3
209.15416	3.1
216.70313	2.3
219.05789	4.8
279.23135	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.00292	0.8
55.05506	5.0
57.07082	4.6
58.60132	0.7
60.86755	0.7
65.03931	2.3
67.05497	99.5
69.07057	8.1
71.04971	1.3
73.04057	0.8
73.81474	0.8
77.47791	1.0
79.05487	9.7
81.07049	100.0
83.04960	1.3
83.08618	5.9
85.06539	1.9
91.05470	3.7
93.07044	11.4
95.08602	76.3
97.06532	1.0
97.10146	2.5
101.79765	0.7
105.07039	2.5
107.08588	7.8
109.06614	1.3
109.10153	22.3
111.08077	1.3
117.07010	1.0
119.08596	2.9
121.02881	1.1
121.10147	6.3
123.11707	12.1
127.31741	0.7
131.08510	4.9
132.99257	1.0
133.10153	2.0
135.11716	4.5
137.13232	8.1
145.10136	1.3
147.04434	2.3
147.11723	2.3
149.02332	14.8
149.09579	1.8
149.13243	3.9
151.14790	3.9
159.11700	2.6
161.13158	0.9
165.12785	0.9
166.76653	1.0
173.13277	4.4
181.12268	1.4
184.23827	1.0
187.14778	2.0
191.14401	1.3
195.13895	1.8
206.61409	0.9
207.52785	0.9
209.15393	2.3
219.05862	1.6
223.16896	1.6
243.20964	1.0
261.22244	2.0
279.09363	1.1
279.23212	16.3
292.88101	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
55.01862	2.9
55.05492	3.5
56.05022	4.2
56.19792	1.5
56.96536	2.2
57.04186	1.6
57.07055	3.5
58.99566	5.0
61.01136	3.8
67.05486	7.7
69.07049	4.0
71.08632	4.0
73.02900	7.0
74.00652	38.8
74.02437	1.9
74.05028	1.5
76.02218	2.0
79.27855	1.6
81.03389	1.7
81.07064	3.1
83.04948	2.2
84.04475	2.1
84.08105	2.8
85.01120	5.5
86.00636	2.8
86.09685	5.7
86.99041	4.7
88.02195	2.2
88.03992	5.6
89.00599	6.2
91.05391	2.3
92.01700	3.5
93.07023	8.0
95.08599	41.2
95.09162	4.0
99.02705	1.9
99.08096	5.2
102.22766	1.8
102.31028	1.9
105.00118	3.2
111.15131	2.2
112.11209	4.9
120.01158	100.0
120.08073	2.9
123.08054	5.1
127.05782	7.6
129.10284	3.4
132.01141	4.6
146.02719	2.8
149.02348	8.4
150.02679	7.3
170.09972	5.2
198.09459	3.4
199.07939	3.2
216.10548	14.0
217.08916	5.9
244.09967	16.7
245.08449	5.1
262.11053	13.1
263.09344	11.8
280.12140	11.4
280.15265	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	280.1903
Annotation	Alopecuridine
Peak:m/z	Relative Intensity
55.01878	0.7
55.05503	0.9
56.05016	1.3
56.96569	1.1
57.07070	0.8
67.05487	7.9
68.05022	1.4
69.03413	5.3
69.07050	1.7
70.06583	6.9
73.92172	0.7
79.05487	5.4
81.07046	7.1
86.06055	17.2
91.05466	2.8
93.07035	5.6
95.04979	1.9
95.08604	1.9
96.08117	5.7
98.06053	12.9
103.65205	0.8
105.07069	1.5
107.04938	1.1
107.08586	1.7
115.68983	1.0
117.06995	1.4
119.04980	0.9
120.83945	1.0
124.07574	12.0
131.08568	2.3
149.02316	2.1
149.13277	1.0
150.02713	2.8
159.11668	2.3
161.14349	0.9
177.12735	100.0
239.08899	1.2
248.34166	1.1
251.66914	0.9
262.18002	6.4
280.19067	1.3
280.26309	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	280.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	8.3
56.05041	18.8
56.96554	3.5
57.07064	3.4
67.05499	22.4
69.07044	9.0
70.06582	48.3
79.05483	3.9
81.07052	23.0
83.08569	4.3
84.08116	4.0
91.05501	3.6
91.66093	2.2
93.07060	5.2
95.01314	12.5
95.08600	20.6
107.08568	6.5
107.23586	2.3
109.10143	3.4
135.08060	3.2
144.82124	2.1
149.02307	7.3
149.09563	2.8
150.02676	6.2
199.11096	4.0
227.10663	4.5
239.08867	4.1
245.11697	2.7
262.17947	3.3
280.26328	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08716	14.3
76.15338	15.8
158.16568	22.2
281.06223	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.3
56.05023	1.9
69.07061	1.0
70.06580	4.6
71.04992	1.0
72.08128	4.6
72.49985	1.0
74.06076	2.0
79.05475	1.0
81.03394	1.4
81.07043	1.1
82.06574	1.0
83.04961	2.9
83.08634	1.0
84.04502	3.9
84.08128	5.8
85.02898	2.4
86.09697	5.6
91.05476	2.4
93.07034	1.1
95.04982	1.7
97.02829	1.0
101.06038	1.6
105.07044	2.9
107.04952	4.5
107.08555	0.9
109.06535	1.4
111.04391	1.5
115.05452	1.3
119.03554	3.4
120.06599	4.8
120.08071	2.1
121.06485	1.3
129.07004	1.2
129.10231	2.3
130.05014	2.4
130.08632	1.4
131.07364	1.0
131.08568	0.9
133.06490	2.9
136.06187	100.0
137.04625	3.5
141.80923	1.0
149.02338	1.1
161.06007	2.9
162.04102	50.0
174.09102	1.4
175.07736	1.2
189.05447	1.5
199.11249	1.4
217.12227	1.3
218.08136	2.3
229.98637	1.2
263.12723	1.3
264.08676	2.8
281.09915	12.1
281.14087	1.5
286.64124	1.1
291.30649	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1016
Annotation	Xestodecalactone B
Peak:m/z	Relative Intensity
55.03154	5.2
57.24659	5.3
61.02887	10.3
73.02918	6.7
81.03410	9.2
85.02905	13.4
91.05479	12.2
97.02889	40.5
103.03922	27.7
103.05462	14.0
105.07014	6.5
123.04474	7.1
123.07935	16.0
129.07018	9.8
133.06519	11.1
143.08519	7.0
145.06442	13.9
147.04401	36.1
150.06812	7.5
151.07507	15.3
152.04616	9.8
161.05974	14.3
162.06755	13.9
165.09082	13.3
167.07031	27.2
173.05981	13.6
175.07639	6.5
177.05287	7.7
179.07068	18.2
181.24150	7.9
189.05463	7.8
190.06316	9.6
191.07031	100.0
193.08665	14.2
195.06470	16.1
203.06934	8.5
206.05824	28.7
217.11969	8.7
221.08156	30.3
233.07956	12.1
235.09645	11.0
245.08102	9.0
246.58199	6.6
263.09189	21.4
281.10400	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	281.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87784	0.9
54.03448	2.4
55.04229	3.5
55.39851	0.9
59.09625	1.0
67.14703	0.9
70.50169	1.1
76.65435	1.2
81.04535	13.9
82.05311	7.9
82.09058	1.0
99.73959	1.2
113.49301	1.1
122.07137	21.3
123.07924	100.0
131.96243	1.0
160.38922	1.1
160.82378	1.4
165.07721	5.5
172.11455	1.2
281.10645	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	281.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69737	1.3
54.03457	1.7
62.64944	1.3
65.71909	1.5
66.22979	1.4
67.90670	1.4
73.85725	1.4
81.04532	50.0
82.05335	2.0
87.18546	1.6
90.93737	1.9
122.07141	30.7
123.07921	63.9
165.07703	49.1
181.02826	3.9
186.03416	3.5
210.20993	1.6
220.98370	1.6
281.05838	4.2
281.10641	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1132
Annotation	H-PHE-ASP-OH
Peak:m/z	Relative Intensity
50.14632	0.6
55.01852	0.6
55.05507	5.2
56.96546	1.1
58.83350	0.6
68.88472	0.6
69.03421	0.9
70.06572	1.9
70.06940	0.7
71.04960	0.7
71.08641	0.6
72.08147	60.5
73.06523	0.7
81.03400	2.4
83.04960	1.2
83.18645	0.6
84.04472	1.5
84.08090	1.3
85.02853	0.8
86.05984	0.7
86.09682	1.6
88.03973	0.7
88.11265	0.9
88.63168	0.7
91.05469	2.6
93.07033	3.0
96.08109	0.8
103.05469	6.7
105.07001	0.8
109.02835	1.0
110.49271	0.7
119.04981	1.3
120.08099	100.0
123.04463	1.5
127.03925	0.9
134.04462	1.0
136.07576	7.2
137.06694	0.6
147.04335	0.7
147.15057	0.7
165.05458	1.6
182.08138	5.7
197.52722	0.7
216.74550	0.7
263.34631	0.7
278.07178	0.8
281.11285	3.3
281.14893	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	281.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60137	7.0
55.01850	18.9
55.05502	21.2
55.33092	7.6
65.03935	18.5
67.05503	43.0
69.03404	24.3
69.07057	11.0
70.06575	18.3
71.04988	12.0
72.08124	11.8
79.01863	9.5
79.05485	11.6
81.03410	21.8
81.07043	23.8
83.04979	54.9
84.08121	14.7
85.02925	7.9
86.09719	12.1
87.04465	12.5
87.34396	7.4
91.05457	54.7
93.03391	13.0
93.07033	20.8
95.04955	47.8
95.08578	13.8
97.02908	53.4
97.06504	15.4
102.05542	8.6
103.43153	9.8
105.07011	50.5
107.04941	15.5
107.08582	39.9
109.02871	20.4
109.06521	50.4
110.28029	8.5
111.04408	16.4
111.08083	18.8
113.30168	8.3
117.07023	24.6
119.08535	24.7
121.02864	13.0
121.06495	29.4
128.06216	18.8
129.07007	21.5
130.05003	29.2
131.08553	52.8
133.06496	31.9
133.10139	11.1
135.08026	13.1
137.02299	15.2
137.06050	10.8
139.03889	27.1
143.08563	11.9
145.06532	23.6
147.08003	13.6
157.10086	34.1
159.08055	67.7
161.09592	16.3
171.11583	15.5
172.07558	11.8
175.11186	11.4
177.08987	11.7
179.07027	21.0
185.09657	13.9
187.07573	28.4
189.05423	13.9
199.11266	15.5
203.10695	10.4
205.08588	100.0
214.18073	10.3
218.08105	44.5
221.11656	9.7
223.09654	11.0
227.10696	13.2
236.09091	27.3
245.78339	10.0
259.10880	13.0
263.12808	28.5
266.53656	9.1
281.13885	63.4
303.97357	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	281.1382
Annotation	Epilaccishellolic acid
Peak:m/z	Relative Intensity
53.03928	6.2
54.10738	5.3
55.05495	15.1
57.03432	5.8
57.07055	11.6
60.52311	5.2
67.05485	23.2
69.03412	29.3
69.07050	31.9
79.05470	27.0
81.03400	24.4
81.07042	37.9
83.04950	15.5
84.99657	6.5
85.02879	9.2
91.05466	34.7
91.71611	7.5
93.07032	47.6
95.04943	33.0
95.08596	33.5
97.02853	16.2
97.06518	8.9
105.07020	61.8
107.04971	15.5
107.08614	35.0
109.06517	11.1
109.10183	15.2
111.08138	7.6
115.05450	8.9
117.07025	11.0
119.08602	31.7
121.02962	7.7
121.06524	24.0
121.10152	14.4
123.04424	17.1
123.08042	12.3
127.03912	10.1
128.06178	12.3
129.06975	18.5
131.08580	21.7
133.06505	9.1
133.10114	20.8
135.08043	23.8
142.07776	8.6
143.08574	32.5
145.06458	9.6
145.10114	15.1
147.04221	8.5
147.08070	13.1
149.05956	14.4
151.07538	20.9
155.08548	9.9
156.09398	16.7
157.10156	31.8
159.08055	14.0
159.11636	8.7
169.10095	9.0
171.11638	40.4
173.09665	9.1
173.13315	14.7
175.11256	20.2
179.53967	8.3
181.10092	16.5
184.08809	11.0
185.09576	10.8
189.12756	20.5
199.11192	50.7
199.14903	8.5
201.12772	10.7
207.11678	11.0
209.09636	10.9
217.12189	50.2
227.10638	41.7
235.13290	17.6
245.11765	32.0
253.19437	10.7
263.12827	33.7
263.17899	17.7
281.13950	100.0
281.18854	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	281.1382
Annotation	Penifulvin E
Peak:m/z	Relative Intensity
55.01853	15.1
55.05493	15.8
56.96553	11.9
57.03422	15.0
57.07069	59.1
67.05487	25.6
69.03427	10.9
69.07048	15.6
71.04965	25.6
74.99947	9.0
79.05468	37.4
81.03413	12.3
81.07037	26.3
83.04966	31.1
85.06519	20.6
91.05464	92.8
93.07020	12.5
93.27052	9.9
95.04957	25.5
95.08623	17.1
97.02906	23.2
97.06542	13.8
99.50114	8.7
105.07030	65.7
107.04941	75.3
107.08596	20.6
109.06500	13.7
110.86375	8.8
111.04333	10.0
117.07008	33.3
119.04967	29.9
119.08584	21.4
121.06477	10.8
125.06013	12.0
129.06989	15.3
131.04947	14.0
132.46675	9.9
133.06499	37.7
133.10172	13.5
135.08014	18.2
137.05962	18.7
145.06465	25.9
145.10150	10.8
147.08017	26.0
149.09637	13.5
151.07536	22.6
157.10188	15.9
161.06003	13.1
163.07532	16.0
163.11206	14.6
173.05917	10.5
173.09576	11.4
175.11172	35.3
179.07077	11.5
187.11142	17.4
191.07002	21.0
191.10701	35.3
193.08742	10.1
203.10658	70.3
204.30449	12.0
215.17783	11.6
217.12193	22.0
221.11801	22.1
235.13266	12.9
245.11711	37.2
263.12726	100.0
281.11237	18.8
281.14099	68.2
283.11014	11.0
296.15787	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	281.1383
Annotation	Epilaccishellolic acid
Peak:m/z	Relative Intensity
55.01858	18.9
55.05496	8.2
57.06799	7.2
57.07066	100.0
65.03925	6.0
67.05486	20.4
69.03428	7.6
69.07056	18.4
69.85013	4.8
71.01346	13.7
75.24828	4.9
75.58308	4.7
79.05487	41.1
81.03392	8.6
81.07037	20.0
83.04978	13.1
84.54786	5.3
85.02901	19.5
85.06536	47.7
87.04468	11.1
91.05479	32.4
93.07042	9.5
95.04985	35.9
95.08610	12.1
97.02885	12.6
103.05429	6.7
105.07029	63.1
107.04958	18.5
107.08550	5.5
110.53426	6.2
111.04438	12.2
115.05421	10.9
117.07021	13.0
119.04945	10.4
119.08566	7.3
121.06487	13.8
123.04430	7.7
123.08018	8.1
126.25877	5.7
129.07008	17.4
131.04950	5.8
131.08591	10.3
133.06459	51.2
135.04373	5.3
137.05988	10.2
137.09569	14.6
145.06471	11.1
146.41640	6.2
147.08047	9.8
149.05991	6.5
151.07550	9.2
151.11191	18.1
161.05971	23.1
163.11186	20.1
175.07790	6.7
175.11221	7.9
179.10712	22.3
189.12770	23.0
205.12186	9.8
217.12187	61.9
233.11679	7.9
235.13269	12.3
236.00148	7.9
245.11749	19.8
262.73816	6.8
263.12759	57.2
281.13950	28.3
284.11420	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	281.1494
Annotation	7beta-Hydroxycatuabine I
Peak:m/z	Relative Intensity
57.03410	5.0
57.07083	1.3
61.02905	2.3
69.03400	7.3
69.14308	1.2
71.01346	2.0
71.04972	1.4
75.04483	1.6
91.05486	1.8
95.04934	1.7
97.39677	1.3
99.04414	1.4
119.08607	1.5
123.07916	2.2
136.06032	1.4
147.04388	1.7
147.09163	95.2
191.07002	3.3
212.54449	1.5
275.30777	1.6
281.10397	8.3
281.14926	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1745
Annotation	brefeldin A
Peak:m/z	Relative Intensity
53.03944	3.7
54.04287	2.5
55.01859	12.5
55.05507	19.8
55.18838	3.0
57.03423	5.2
57.07061	6.2
65.03935	3.8
67.05499	50.0
67.55296	3.2
69.03422	14.7
69.07056	13.1
69.80276	3.2
70.06581	4.2
71.01318	4.2
71.04984	4.4
77.02177	3.5
79.05488	16.6
81.03410	13.4
81.07047	27.8
83.04962	17.5
83.08633	5.6
85.06535	7.1
91.05472	37.2
93.07036	30.5
95.01335	4.3
95.04969	15.1
95.08584	16.5
97.02906	7.0
97.06533	11.1
99.04472	3.6
99.65835	3.3
105.07040	36.2
107.04948	23.5
107.08601	10.5
109.06441	4.0
109.10183	11.1
111.04427	6.4
111.08071	5.3
117.07013	15.1
119.08590	26.7
121.06494	13.0
121.10136	6.0
122.90350	3.6
123.04461	5.1
123.08083	7.1
128.06264	9.5
129.07018	19.1
131.04933	3.9
131.08513	19.9
133.06436	19.0
133.10143	12.3
135.08073	9.2
135.11771	3.8
142.07796	6.4
143.08533	26.7
145.10164	10.6
147.08049	25.8
147.11621	5.3
149.05997	4.7
149.09651	10.2
151.04028	4.3
151.07520	7.8
155.08569	7.8
156.09326	5.1
157.06386	4.0
157.10133	15.9
159.08102	7.0
161.06006	8.3
161.09618	14.9
163.07536	4.3
165.09129	7.8
167.08618	5.6
171.08092	7.3
171.11679	13.7
173.13281	6.7
175.07707	5.2
175.11166	7.0
177.12827	4.5
179.10674	5.4
181.10092	6.8
183.10130	4.4
185.09616	7.3
185.13197	6.7
187.11148	5.1
189.09088	8.8
189.12762	5.6
199.11249	7.3
199.14816	12.4
201.12784	6.5
203.10707	9.1
209.13298	7.2
217.12247	14.8
217.15941	15.1
221.11717	11.0
227.10739	5.5
227.14307	25.8
245.11787	11.0
245.15337	26.1
263.12662	7.2
263.16391	100.0
281.14160	5.7
281.17328	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	281.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87216	4.4
53.03928	4.7
55.05513	7.5
57.03425	5.1
57.07052	16.3
61.68223	4.8
67.05492	45.9
69.07057	9.7
71.04977	23.8
79.05473	6.4
81.03389	7.6
81.07053	9.8
85.06536	40.6
91.05483	11.5
91.73847	5.1
93.07027	39.5
95.04945	7.5
95.08634	7.7
103.05460	10.8
109.10177	17.0
121.06496	58.0
127.11181	100.0
149.05945	30.2
161.37524	6.5
181.08563	84.7
231.13878	7.4
249.14793	6.5
280.26547	10.7
281.26611	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	281.1746
Annotation	Nardosinanol I
Peak:m/z	Relative Intensity
50.14801	2.4
55.01862	5.6
55.05493	13.0
55.89273	2.6
56.96539	2.8
57.03429	3.9
57.07060	11.7
59.67150	2.4
61.19376	3.0
66.20560	2.5
67.05484	9.7
68.99775	11.1
69.03422	5.6
69.07064	8.6
71.62334	2.5
73.06538	29.0
79.05475	7.9
81.07053	12.0
85.06541	5.7
91.05470	17.1
92.09834	3.2
93.07042	22.7
95.04961	6.8
95.08589	7.1
96.97242	2.8
97.02899	4.0
97.06502	8.6
97.10166	17.6
101.02382	11.0
102.09193	7.5
103.05459	4.4
105.07016	24.8
107.04937	7.0
107.08575	11.9
109.06516	5.4
109.10153	18.7
111.04432	3.3
115.05448	4.7
117.07019	6.6
119.04961	7.6
119.08575	13.2
121.10127	6.3
123.04420	5.7
123.08089	4.1
125.09624	3.4
127.11198	3.7
129.06985	3.7
131.08554	5.1
133.06525	16.0
133.10117	6.5
137.05971	4.8
143.08553	4.3
147.08044	15.5
147.11745	5.0
148.60719	3.3
149.02379	3.3
149.09604	5.9
155.07089	3.8
157.10135	3.9
161.05980	10.2
161.09694	3.0
163.11237	3.6
175.07568	9.8
179.07074	8.4
185.37120	3.1
193.08585	11.3
194.09340	21.9
200.01225	3.5
203.10785	4.7
231.13858	3.7
263.12848	4.9
263.16452	34.5
281.14175	6.1
281.17371	100.0
288.69482	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	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	30.5
56.96557	9.4
57.03419	22.7
57.07058	9.9
67.05495	87.5
69.07051	23.4
79.05486	54.6
81.03421	13.7
81.07043	100.0
83.04974	29.8
89.14069	6.9
91.05489	66.5
93.07039	65.5
95.04959	28.9
95.08591	48.1
100.33664	7.5
105.07012	60.7
107.08578	23.2
109.06530	14.0
109.10157	10.3
117.07003	19.4
119.04933	23.6
119.08564	31.9
121.06503	12.3
123.08102	9.0
128.06175	8.3
129.07028	18.8
131.08603	17.7
133.10126	11.6
141.18921	9.1
143.08521	10.8
145.10091	21.8
147.08040	10.2
147.11731	22.8
149.05983	8.3
155.08578	10.5
161.13318	10.5
169.10204	9.8
171.11705	33.9
171.13026	9.8
173.13235	8.5
183.11736	8.1
187.11270	10.0
189.12744	11.6
197.13261	13.3
207.13846	10.1
220.59756	7.8
238.06795	8.7
253.19637	17.1
263.17935	15.9
275.33817	9.0
281.19376	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	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	9.1
55.01859	12.4
55.05502	44.0
55.92800	6.3
56.34195	7.1
57.03418	29.9
57.07084	8.2
58.99908	6.7
60.04521	7.9
67.05494	97.1
69.03427	21.7
69.07054	70.0
70.07392	18.1
71.04988	13.9
79.05479	74.3
81.03421	19.7
81.07049	100.0
83.04965	48.8
85.02891	17.8
91.05464	64.8
93.07044	81.8
95.04955	44.0
95.08627	46.6
97.06499	10.3
97.65998	7.7
101.61552	8.2
105.07043	60.7
107.04974	13.0
107.08587	29.8
109.06551	16.0
117.07058	13.1
119.04922	8.7
119.08595	46.5
121.06490	11.5
121.10166	16.5
124.40874	8.5
129.07030	20.0
135.08017	14.2
141.85620	10.1
143.08595	13.8
145.10129	16.3
147.11678	39.1
149.02359	10.9
171.11714	24.7
207.13704	11.1
230.32486	9.4
240.16811	16.7
281.17084	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	281.2474
Annotation	Stearolic acid
Peak:m/z	Relative Intensity
55.05256	3.7
55.05503	53.7
57.07061	16.2
62.26183	2.7
67.05497	42.7
69.07059	100.0
71.04977	4.2
71.08620	10.1
79.05469	13.1
81.07043	63.3
81.07482	5.9
83.04978	6.4
83.08147	6.2
83.08606	72.5
85.06551	3.4
85.10201	4.2
91.05473	15.9
93.07028	24.6
95.04966	5.0
95.08599	52.3
97.06543	10.7
97.10166	49.5
99.08073	3.5
99.45124	3.8
105.07068	17.4
107.08580	19.2
108.40430	3.1
109.10132	27.3
111.08073	5.4
111.11713	14.9
117.21750	3.6
119.08583	12.6
121.10128	17.5
123.08047	5.5
123.11709	13.1
125.09641	5.6
125.13264	5.2
126.45145	3.3
133.10101	20.2
135.11671	12.1
137.09644	9.3
137.13252	6.8
139.11188	5.3
147.11659	13.5
149.13275	14.8
151.11183	5.6
153.12671	3.8
161.13303	9.4
163.14828	9.3
175.14769	4.6
189.16237	3.7
193.15936	3.6
206.46211	3.4
221.22580	4.4
245.22696	17.3
263.23788	17.8
281.24792	14.5
281.29486	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	282.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44727	24.3
57.03426	27.3
57.86801	23.8
69.03419	31.7
70.06575	31.3
74.40071	31.7
84.08130	53.4
102.05548	47.2
106.84439	29.1
117.00044	48.4
138.05476	54.4
150.07733	42.4
176.81044	35.7
208.05827	38.3
260.51205	31.6
282.04941	100.0
282.10065	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	282.1698
Annotation	A 75943
Peak:m/z	Relative Intensity
57.06835	6.3
57.07067	72.5
60.33691	5.7
79.05479	20.5
81.07034	14.6
85.06532	58.1
91.05479	8.0
93.07027	9.5
95.01327	17.5
95.04957	6.0
95.08569	6.9
96.01669	7.6
97.02867	28.9
101.58229	5.7
107.04952	53.2
107.08601	13.4
109.06486	6.9
110.70419	6.0
113.09623	8.1
121.06540	9.6
125.05995	100.0
126.06807	6.5
127.07571	9.3
131.08533	7.0
135.08052	11.9
137.06004	28.3
141.09128	7.8
145.06516	9.3
148.07567	10.2
165.05513	14.7
191.07016	11.1
219.13895	10.3
237.14787	90.7
247.13280	39.6
265.14349	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2789
Annotation	Dodemorph
Peak:m/z	Relative Intensity
50.09781	2.2
54.52884	2.3
55.05498	8.3
56.05028	19.2
56.96552	6.3
57.07069	2.9
60.98308	2.4
62.65293	2.7
63.31981	2.9
66.78436	2.5
67.05497	17.0
69.07048	11.5
70.06583	100.0
70.53247	2.9
72.15283	2.5
73.75527	2.7
78.44154	2.9
79.05486	4.7
80.29864	2.6
81.07045	21.2
82.63792	2.5
83.08611	7.4
93.07041	8.6
95.08601	18.3
98.97583	4.7
107.08575	3.2
109.10155	7.8
109.17891	2.7
121.10096	3.1
153.55432	2.8
170.21454	3.3
185.39008	3.6
191.98289	2.9
282.19467	6.7
282.27896	91.4
298.32004	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	283.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29020	1.5
54.79821	1.6
55.05490	2.5
57.07060	2.2
60.08152	1.9
65.81699	1.6
67.05494	3.2
67.56438	1.6
69.03416	2.4
69.92111	1.8
71.04974	1.8
72.08134	1.9
72.40930	1.4
79.05482	5.8
81.07033	4.9
83.04975	4.1
84.04511	1.9
84.09486	1.7
89.03900	3.7
91.05472	30.5
93.07034	5.6
95.04962	6.4
95.08620	3.3
98.55884	1.7
102.04714	3.4
103.05456	6.0
105.03375	2.3
105.07035	4.4
105.63527	2.0
107.04957	3.9
107.08642	2.4
109.06529	2.9
109.10133	1.8
115.05484	9.8
117.03355	3.2
117.07016	8.9
119.04942	28.5
119.08584	4.2
120.26600	1.7
120.83902	1.9
121.06506	5.2
123.04418	2.8
124.98256	1.9
126.49539	2.0
129.07011	2.1
130.04144	7.1
131.04918	1.9
131.08530	3.0
133.02856	5.1
133.06506	6.8
135.08096	3.3
135.11685	1.9
143.08566	3.2
145.02852	6.1
145.06505	15.2
147.04402	23.6
147.08054	3.4
149.05965	4.0
152.05650	4.9
158.03647	13.3
159.08099	1.9
161.02353	5.1
161.06018	5.7
173.05989	31.2
175.03877	31.1
176.04686	7.9
177.05482	5.3
179.03381	1.9
186.03203	3.8
186.05591	1.9
193.04994	4.5
201.05464	100.0
201.12746	2.8
207.10190	2.2
219.06512	51.9
219.13742	4.6
229.12227	3.6
235.88293	2.4
237.07506	3.4
247.09698	3.0
247.13290	6.5
265.07089	6.6
265.14331	4.4
267.81329	2.3
283.12073	3.3
283.15540	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	283.0963
Annotation	5,6-Dimethoxyflavone
Peak:m/z	Relative Intensity
57.07055	23.7
69.75935	6.3
79.01830	9.1
79.05478	9.0
91.05473	34.8
92.58954	6.8
95.04980	7.5
100.56094	6.2
105.07038	28.0
107.01295	15.9
117.06994	14.1
119.08568	15.7
129.07028	15.8
137.02341	36.5
142.07782	10.3
145.61806	7.2
177.05443	8.2
188.56161	7.5
201.18854	7.2
209.75099	7.2
241.08505	99.7
246.23000	8.0
264.45264	7.8
283.09598	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11880	0.8
57.07070	100.0
63.81108	0.8
67.05492	0.9
79.98833	1.0
91.84107	0.9
92.24338	0.9
105.83620	0.9
107.04984	3.2
112.95724	1.1
117.06956	1.0
153.05450	2.7
177.09177	1.1
201.12743	1.4
209.11862	1.1
237.11171	29.8
247.13284	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	283.1538
Annotation	Strobilactone B
Peak:m/z	Relative Intensity
53.55143	2.4
55.05490	10.1
56.96550	5.5
57.06799	7.0
57.07066	100.0
59.15252	2.8
61.91888	3.3
63.10688	2.8
67.05489	12.5
69.03412	9.0
69.07060	6.3
71.04980	4.9
79.05478	14.5
81.07028	22.0
82.05590	3.1
83.04977	24.4
83.08607	3.9
85.06535	26.1
91.05481	18.1
93.07034	19.0
95.04941	6.2
95.08617	17.4
97.02886	8.1
97.06524	8.4
99.73484	3.2
105.07011	15.0
107.04959	11.7
107.08595	14.6
109.06483	7.3
109.10183	4.9
109.60772	3.9
111.04422	7.0
111.08085	5.6
114.21952	4.0
115.05357	4.3
117.07009	9.6
119.08581	8.2
121.06518	14.4
123.08051	8.3
125.05994	7.3
128.06210	4.2
129.07005	6.6
130.07350	3.8
131.08569	7.4
133.10143	10.3
135.08037	9.6
135.11700	4.5
137.09674	5.2
145.06517	6.2
145.10106	7.4
147.08044	5.1
151.55608	3.4
153.05431	3.9
153.09131	4.0
157.08409	4.2
161.09647	5.9
163.07562	14.1
173.09570	3.5
173.11580	5.4
173.13290	7.2
175.07558	4.5
183.09973	4.6
201.12752	7.9
203.06975	21.4
204.18248	3.6
205.12425	4.0
207.13779	8.2
217.12164	5.0
219.13809	13.1
229.12238	5.9
237.11220	8.6
237.14862	9.1
247.11455	14.0
247.13335	16.5
265.14304	23.3
283.11981	5.5
283.15512	11.1
298.50879	3.8
300.73145	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	283.1539
Annotation	Strobilol D
Peak:m/z	Relative Intensity
55.05510	8.8
56.96556	9.5
57.03432	10.9
57.06840	7.7
57.07066	97.2
64.84462	6.3
67.05478	20.9
69.03425	12.3
71.04964	13.3
79.05478	32.7
81.03384	9.0
81.07039	41.4
82.11508	6.6
83.04972	12.8
85.02884	12.9
91.05482	21.0
93.07016	21.8
95.04965	14.4
95.08598	16.3
97.02885	12.3
97.06509	11.6
98.97594	14.1
105.07028	35.6
107.04942	11.7
107.08620	10.4
109.06509	29.5
111.08083	9.0
112.44612	7.4
117.06991	23.3
119.08571	17.8
122.20233	7.5
123.08016	10.4
131.08556	33.5
133.06508	10.7
133.10139	7.4
135.07977	8.3
137.05931	7.3
143.08524	10.4
147.08046	19.6
149.09610	12.0
151.07573	19.3
159.11659	9.3
165.09058	11.5
187.11151	10.0
189.82813	7.6
205.12244	14.4
219.13789	14.3
235.13284	12.3
237.11192	17.5
247.13193	37.4
265.14359	33.0
283.15369	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	8.5
55.05497	17.4
57.03419	14.9
57.07054	15.4
58.26459	4.7
67.05509	25.6
67.05788	4.8
69.03426	6.5
69.07051	7.6
71.04972	5.4
79.05482	37.2
81.03419	13.1
81.07056	41.2
83.04976	8.0
83.08607	16.2
85.06525	5.4
91.05479	19.2
91.71629	6.8
93.07043	45.3
95.04977	13.6
95.08607	48.6
97.02900	7.3
97.06566	6.8
99.04460	9.2
105.07028	14.5
107.04964	18.6
107.08599	42.4
117.07030	12.8
119.08607	16.2
121.06555	10.7
121.10184	14.2
135.11690	68.2
144.00343	5.1
145.10123	31.3
147.31686	5.8
156.94461	5.5
158.31134	5.3
163.11177	65.4
181.12262	16.4
227.12764	100.0
283.15359	46.6
304.15564	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	283.1538
Annotation	epi-dihydrophaseic acid
Peak:m/z	Relative Intensity
55.01861	18.9
55.39753	7.5
56.96550	22.6
57.07066	100.0
59.04991	17.9
63.21308	7.5
67.05476	24.8
69.03426	15.6
69.07059	15.8
70.56100	7.5
79.05489	13.7
81.07022	17.1
85.06544	41.6
90.78372	7.8
91.05470	71.1
93.07055	19.7
95.04972	32.5
95.08591	25.3
97.02880	14.2
97.79030	8.3
101.02371	23.2
105.07024	26.9
107.04962	13.8
107.08574	15.8
117.07037	27.6
119.04944	24.3
121.06528	21.1
123.04425	12.1
131.08560	9.1
133.06502	13.6
135.08064	19.9
137.06033	25.7
137.09621	22.4
145.06459	10.3
151.07484	10.0
151.11198	16.9
163.07558	49.7
165.12811	9.8
175.11203	85.8
179.10699	24.5
187.11234	25.3
200.70424	8.6
202.61737	8.6
203.10577	63.6
205.12196	43.8
219.13814	31.0
221.11859	10.6
247.13306	68.4
283.15521	20.1
284.23724	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	283.1539
Annotation	Strobilactone B
Peak:m/z	Relative Intensity
50.46022	9.8
50.58412	10.8
55.05496	34.4
56.96571	11.3
57.03420	17.1
57.07057	34.9
67.05503	71.5
69.03400	26.7
69.07054	44.4
71.04985	37.2
75.08176	12.5
79.05494	68.9
81.03434	14.0
81.07047	86.9
83.04973	32.6
85.02891	15.6
85.06555	13.7
91.05480	40.2
93.07029	100.0
95.05010	26.7
95.08599	90.5
97.02917	16.5
99.04463	17.7
105.07023	45.6
105.49833	14.4
107.04950	25.6
107.08588	86.6
109.06520	23.3
109.10183	16.3
111.04462	20.7
117.07037	31.2
119.08587	25.5
121.06562	22.2
121.10159	30.7
123.04492	14.2
125.06016	14.1
131.08566	33.8
131.42892	12.4
135.08057	26.6
135.11688	68.4
143.08525	19.2
145.10147	41.6
150.63284	15.0
161.09515	16.7
163.11234	79.9
165.75734	12.6
171.08122	15.4
181.12326	17.8
195.73828	15.3
201.12810	21.3
219.13760	27.8
227.12752	99.3
246.36641	13.4
247.13298	33.3
265.14453	48.1
283.15460	67.3
300.74408	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	283.1538
Annotation	Strobilol D
Peak:m/z	Relative Intensity
51.44166	5.6
55.01873	6.2
55.05512	16.1
55.68845	6.0
57.07064	8.7
59.05005	28.4
60.99577	6.5
67.05505	26.3
68.36568	7.3
68.82558	6.5
69.03432	13.7
70.06597	10.7
71.04980	13.2
73.74313	6.7
75.65232	6.5
79.05476	46.4
81.03404	86.9
81.07071	25.5
83.04984	43.4
84.04521	9.5
91.05467	52.3
93.07011	40.8
95.04955	40.8
95.08620	20.5
97.02940	7.0
97.06554	11.1
98.97611	29.3
105.07028	45.3
107.04986	32.4
107.08601	29.8
109.02890	8.5
109.06515	13.2
109.10165	14.2
110.26059	6.4
111.04427	9.3
111.08064	9.8
115.05496	8.1
116.98622	13.9
117.07063	33.3
119.08575	42.3
121.06527	23.8
125.06041	8.0
128.06223	18.3
131.08585	26.1
133.06512	17.1
133.10112	9.8
135.08101	24.2
140.00267	20.3
143.08598	33.2
145.06534	28.4
145.10133	10.8
147.08107	26.0
149.06059	11.1
149.09682	10.9
157.10033	9.4
158.99710	12.0
159.08064	14.7
159.11731	19.9
161.09584	100.0
161.10783	8.5
163.07521	17.6
172.20865	8.5
173.13225	13.2
189.09088	40.9
192.44966	10.0
200.02254	9.8
201.12814	29.5
207.10175	40.8
219.13860	10.2
229.12297	17.2
247.13274	53.4
265.14456	12.5
283.15247	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	283.1539
Annotation	Lactarolide B
Peak:m/z	Relative Intensity
50.46878	3.1
52.48521	3.2
53.03954	5.0
55.01870	17.1
56.96546	10.6
57.03446	5.9
57.07069	100.0
59.04984	5.4
65.03951	5.0
65.32903	3.6
67.05497	37.2
69.03427	21.0
69.07085	13.7
71.01344	6.3
71.05010	4.8
79.05493	26.6
81.03426	19.8
81.07066	16.2
83.04986	9.4
85.02902	8.9
85.06533	41.8
85.06917	3.4
87.04481	9.4
91.05470	54.8
91.71030	8.2
93.07069	14.3
95.04977	37.2
95.08624	17.4
97.02886	90.2
97.03468	6.5
105.07042	33.3
107.04955	21.1
107.08625	13.3
109.06550	9.0
109.10175	4.8
111.04433	25.4
115.05490	16.0
117.07014	48.5
119.04971	9.8
119.08616	9.8
121.06547	11.8
121.10138	4.4
123.04494	17.4
125.09617	4.4
128.06241	4.3
129.07030	8.7
131.08595	15.4
133.06500	25.1
135.04466	9.3
135.08118	9.9
137.09604	29.0
141.05496	12.7
141.07002	6.6
143.08586	6.7
145.06506	22.8
147.08122	7.4
151.07571	6.3
151.11267	11.6
153.09091	5.0
155.31708	4.9
159.06656	10.8
159.08022	8.6
161.06041	13.3
163.07596	16.0
163.11218	8.9
165.09206	5.3
175.11212	13.6
177.09114	7.2
177.12773	7.0
181.08673	4.5
187.11230	9.9
189.12836	11.8
191.10674	22.3
191.14340	13.2
201.12775	33.3
202.45131	6.2
203.09099	4.6
203.10573	22.4
216.70259	4.7
217.12334	14.9
219.13802	31.2
229.12329	15.0
247.13271	45.4
265.14493	18.2
274.46930	4.7
283.15518	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	8.7
55.01870	12.8
55.05501	20.2
56.96561	13.8
57.07051	10.4
61.91690	8.4
64.41738	7.9
67.05485	32.3
69.03415	18.5
69.07028	13.1
70.06585	18.3
70.99673	9.1
71.04983	23.1
72.08124	11.9
79.05483	19.9
81.03387	11.6
81.07040	37.6
83.04965	16.8
84.04498	28.0
85.02898	14.0
86.09711	13.0
91.05457	51.1
93.07030	34.1
94.60776	9.0
95.04932	18.1
95.08598	14.3
104.56303	8.3
105.07027	59.9
107.04929	10.8
107.08578	22.9
109.06503	19.4
109.10145	9.4
111.04427	10.8
117.07017	35.1
119.08587	53.6
120.08096	24.1
121.06509	33.2
123.08038	12.7
129.05476	9.4
129.06982	13.6
130.05000	24.9
131.05551	9.9
131.08566	43.0
133.06502	20.8
133.10165	21.3
135.04387	15.1
135.08058	13.0
136.07602	15.2
143.08565	21.7
145.10124	53.2
147.08031	19.0
154.07050	14.8
157.10135	17.1
159.08032	18.3
159.11682	29.6
161.09593	20.2
173.09647	12.7
174.05444	25.6
175.11166	14.2
193.08572	13.2
195.09885	15.9
201.12503	10.8
202.04990	39.5
202.09201	14.2
212.08868	13.2
220.05986	18.8
220.10388	24.6
235.13318	9.7
242.10052	51.8
243.11942	38.4
247.07388	13.5
248.05502	32.4
261.97641	10.5
264.88147	10.5
265.14624	13.1
283.11649	71.0
283.15442	100.0
284.11417	13.8
300.20251	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	283.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48039	2.4
55.05505	3.2
57.07088	2.8
67.05500	5.1
68.03690	2.5
69.07081	4.5
70.06605	6.7
79.05550	4.4
81.07038	6.2
83.05003	4.5
84.08148	6.6
86.09723	8.7
87.04481	3.2
89.06018	100.0
91.05486	5.5
93.07084	6.4
95.04976	4.5
97.02938	2.9
99.16953	2.8
107.04985	4.3
107.08633	3.8
116.72338	3.1
121.06533	4.0
121.10179	5.5
130.08643	21.5
133.08598	46.8
139.03900	3.1
145.06470	5.6
147.08040	4.5
177.11273	9.8
201.05629	4.2
214.26953	3.3
247.13467	6.7
265.14844	5.0
283.12338	3.9
283.15186	5.0
283.17862	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	283.19
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
55.01856	24.3
55.05503	31.2
56.96544	37.0
57.07052	24.8
64.53048	16.9
67.05492	63.4
69.07047	58.5
69.08787	15.5
70.22610	14.9
70.98985	15.2
79.05448	19.9
81.07063	100.0
83.04951	40.9
83.08612	23.8
83.79248	17.1
91.05466	19.3
93.07050	34.7
94.56020	18.8
95.04967	47.0
95.08601	92.5
105.07065	23.8
107.08590	33.2
109.10123	36.6
121.10170	31.0
131.08659	25.0
135.08052	22.6
179.52046	22.8
193.11803	17.6
265.17938	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	6.6
59.86704	4.7
61.02930	8.9
69.03419	37.2
71.04963	6.4
71.38786	5.2
73.02899	7.9
77.73464	4.5
81.03402	31.1
85.02429	9.2
85.02898	100.0
87.00816	34.5
89.78899	4.9
91.71672	5.3
92.78770	4.6
96.97718	5.3
97.02873	59.3
99.04459	21.5
105.01863	56.9
108.04491	5.6
109.02873	28.0
117.01889	6.4
126.05442	5.6
127.03917	94.9
145.04936	60.9
153.91937	5.1
159.02876	23.4
164.49771	5.8
231.05061	22.3
276.72598	6.6
284.09775	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	284.0989
Annotation	Crotonoside
Peak:m/z	Relative Intensity
56.03077	0.4
57.03435	0.5
85.02890	1.2
109.05090	0.6
110.03513	2.4
128.04567	1.3
135.03008	3.9
152.05670	100.0
153.04060	8.7
261.79568	0.5
265.16327	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.3311
Annotation	CETRIMONIUM
Peak:m/z	Relative Intensity
51.94621	1.0
55.05515	1.3
57.06554	1.1
57.07062	9.4
58.06579	4.0
59.61039	1.1
60.08155	35.6
60.90723	1.0
79.43874	1.2
80.74293	1.2
86.94972	1.2
189.28447	1.6
194.96661	1.5
223.04198	1.4
228.61858	1.7
284.33069	100.0
285.03888	7.0
292.83298	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	284.9772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08755	8.8
57.97820	9.1
59.70219	8.1
78.10644	9.4
91.01125	10.6
93.90871	12.0
94.93014	37.9
97.98743	10.0
102.89275	10.6
108.28842	10.3
108.80641	12.3
111.57242	10.6
150.91974	46.3
150.95612	49.2
160.51497	10.7
162.66180	10.9
163.10252	13.6
180.96663	14.3
190.95161	17.8
194.94617	16.2
231.40868	14.4
266.96667	16.5
284.97723	100.0
305.67953	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.112
Annotation	Glypallichalcone
Peak:m/z	Relative Intensity
55.01850	4.5
55.05513	3.8
55.40399	3.6
56.96555	44.0
57.07067	100.0
59.04977	4.0
62.46936	4.1
67.05483	4.3
69.03409	7.5
71.08601	8.1
73.98894	4.2
79.05482	9.5
81.07054	9.7
83.01325	12.2
83.63272	4.2
85.06558	6.1
91.05474	15.6
95.04970	12.7
95.08620	7.2
97.99140	5.1
103.05534	4.2
105.07025	6.1
107.04946	13.7
109.06510	10.7
111.04456	5.4
111.08072	7.5
119.08611	7.3
121.27999	4.5
131.04915	11.5
131.08578	5.1
133.10208	6.6
135.04454	6.2
137.05980	11.4
139.01831	6.9
143.08557	5.5
145.10130	5.4
146.03668	7.6
153.07106	5.4
156.05087	6.9
161.05988	20.7
165.07043	16.3
178.07805	9.3
179.08493	10.7
181.06509	11.7
182.07240	7.4
183.08128	7.0
193.06450	9.4
194.07227	6.0
195.08090	19.1
196.08809	9.1
207.08110	17.7
210.06775	9.4
211.07649	9.9
221.05969	13.4
223.07613	8.8
224.08279	11.0
225.09123	31.2
226.30920	5.1
232.02742	5.8
237.09251	6.5
249.09079	8.1
253.08553	42.8
255.06418	6.5
255.10167	19.2
267.10138	85.5
285.03915	9.6
285.07996	6.1
285.11017	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	285.133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76020	4.7
54.96927	5.6
55.01865	8.5
55.05507	35.1
57.03423	7.9
57.07076	8.2
58.52621	6.2
59.04997	8.2
63.60905	6.6
67.05499	18.7
69.03413	9.3
69.07035	5.6
70.06579	9.3
71.04988	22.5
73.06548	100.0
74.87370	5.7
79.05492	32.1
81.03413	15.9
81.07054	33.9
83.04964	35.1
83.52574	5.3
84.08103	6.7
84.10438	6.1
85.02896	8.5
85.06521	8.3
86.09691	6.0
91.05469	56.6
93.07035	54.7
95.04964	27.9
95.08588	15.9
97.06522	11.1
99.04443	7.5
101.06033	5.8
103.05436	8.3
105.07012	47.8
107.04948	19.3
107.08588	13.5
109.06536	23.4
111.04454	6.3
111.08073	11.6
117.07027	13.7
119.08617	30.6
121.06513	72.3
121.10170	8.0
121.48158	6.4
123.08036	11.6
125.05990	9.9
129.07007	30.8
131.08572	23.9
133.06496	15.5
133.10120	18.7
135.08028	9.6
137.05998	26.8
137.09663	8.7
137.27226	6.1
139.07578	13.8
142.07809	12.2
143.08533	15.8
145.06448	6.6
145.10133	39.5
147.04308	8.3
147.08043	29.8
147.11670	11.2
149.06021	29.8
149.09662	8.6
156.37100	7.3
157.10121	13.6
159.08020	9.2
161.09717	9.4
163.11127	7.6
165.05482	7.2
165.09142	10.1
167.07062	25.6
173.09589	10.8
175.07529	23.5
175.11180	19.6
185.08125	7.5
185.13246	14.2
189.09129	10.7
191.10686	44.6
193.04990	10.1
193.12276	15.5
195.10153	9.8
201.12329	6.6
203.10677	10.7
203.14102	10.2
205.12358	9.4
209.11711	9.3
219.10246	20.2
225.09018	8.0
231.10208	11.8
231.13786	33.8
237.11264	29.8
249.11197	33.8
249.14902	30.4
255.12317	10.9
267.12326	25.1
267.15927	22.4
285.03592	7.8
285.13507	14.2
285.16891	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	285.1694
Annotation	Minwanensin
Peak:m/z	Relative Intensity
55.01856	3.8
55.05508	2.2
57.07058	5.5
67.05499	2.1
69.03410	1.6
69.07063	9.1
71.04970	1.8
72.20448	1.4
79.05486	2.5
79.86648	1.3
80.37491	1.6
81.03409	7.5
81.07044	7.1
83.04966	5.5
85.06530	4.4
91.02156	1.5
91.05472	7.9
91.71738	2.0
93.07014	5.3
95.01319	100.0
95.08577	2.6
98.22094	1.4
100.65215	1.7
105.07020	4.5
107.08608	1.9
109.06515	4.7
117.06969	7.3
119.08553	10.9
121.06486	1.7
121.10128	6.0
123.08067	4.7
127.07549	3.6
129.06967	8.8
131.08594	2.5
133.10155	1.8
139.11165	2.7
143.08620	1.9
147.08037	66.4
151.07523	13.0
165.09096	6.9
175.07567	3.5
177.84242	1.5
180.51746	1.5
185.13274	2.4
190.69453	1.5
193.08591	37.1
199.32785	1.5
202.27153	1.8
231.13707	2.6
249.14848	3.8
267.16010	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	285.1695
Annotation	Botryaloic acid
Peak:m/z	Relative Intensity
53.80997	3.1
55.05516	5.3
56.96558	4.1
57.06800	6.5
57.07070	100.0
63.14526	3.3
67.05491	16.6
68.39854	3.8
69.03428	5.4
69.07065	10.5
71.04993	9.8
75.83707	3.7
79.05484	20.5
79.27316	2.8
81.03405	7.4
81.07053	52.0
83.04964	4.8
85.06542	48.0
86.82790	3.7
91.05486	44.5
93.07027	22.0
95.01330	15.0
95.04945	8.1
95.08606	17.0
97.02872	6.9
97.06554	3.9
99.04471	4.8
105.07055	18.9
107.08582	7.8
109.02892	11.2
109.06519	41.7
109.10134	7.6
111.04449	12.4
117.07011	14.4
119.08582	50.9
121.06492	7.3
121.10223	3.8
123.08073	5.5
124.71580	3.5
125.02356	4.8
127.07516	19.7
129.07010	13.7
131.08583	7.3
133.10144	10.7
137.02361	7.9
137.09589	12.5
139.03925	6.6
141.09076	4.1
144.02603	3.8
147.08054	20.7
155.57927	3.5
165.05513	3.7
165.06955	3.6
165.09091	12.1
175.07584	6.3
175.14815	10.8
185.04448	26.5
185.13332	10.7
186.21800	4.9
191.14307	7.6
193.08565	13.0
202.46342	3.8
203.14381	12.5
205.12283	5.2
213.42885	4.5
219.13846	8.2
221.15359	31.0
231.13841	13.0
239.16406	38.0
249.14821	21.8
267.15897	46.0
268.55991	4.7
285.03809	4.8
285.16907	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Dendronobilin L
Peak:m/z	Relative Intensity
55.01867	7.6
55.05531	3.7
57.07066	33.6
57.07271	3.3
65.03944	3.6
67.05512	16.4
69.03435	4.6
69.07081	13.3
71.04993	3.9
76.92377	3.4
79.05505	17.3
81.07061	48.4
83.08620	5.2
83.53677	3.8
85.06543	15.4
91.05468	65.4
91.05935	4.8
93.07058	24.5
95.08597	25.0
97.06557	3.7
105.07035	34.6
105.10712	3.8
105.94798	3.7
107.04964	5.6
107.08646	18.2
109.06515	31.0
109.10155	5.2
117.06995	21.8
119.08574	63.3
119.15575	3.9
121.06548	11.3
121.10173	5.6
128.06236	5.9
129.07013	42.0
130.59619	4.6
131.08556	52.3
133.10178	9.5
135.08118	9.8
137.09642	11.7
143.08627	17.2
145.10194	14.7
147.08038	39.7
147.11711	5.3
149.06038	5.5
151.95363	4.5
157.06570	12.8
157.10156	9.0
159.11591	5.7
161.09723	7.0
161.13327	9.1
163.07620	10.9
165.09140	14.0
175.07521	73.6
175.14900	15.6
185.13347	14.8
193.08592	19.6
203.14424	17.9
204.02237	4.1
205.12297	4.8
213.12796	13.5
219.13809	5.2
221.15477	16.7
231.13799	50.2
239.70731	4.6
249.14836	100.0
249.17250	7.0
267.15891	25.1
285.16971	36.7
290.31522	4.8
300.08478	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	285.1695
Annotation	Dendronobilin L
Peak:m/z	Relative Intensity
53.03935	4.2
55.01857	6.6
55.50554	3.4
56.62719	3.4
56.96546	18.4
57.07067	90.7
59.04980	9.9
67.05494	25.7
69.03397	3.8
69.07062	14.0
71.04986	6.3
71.08633	4.2
75.31004	3.9
79.05490	43.6
81.03398	11.4
81.07044	11.2
85.06532	34.5
91.05472	55.4
93.07029	15.1
95.04961	27.2
95.08594	8.8
105.03387	14.8
105.07028	21.6
107.04958	22.2
107.08624	10.0
109.06551	4.7
109.10101	6.4
111.77663	5.0
117.07005	24.4
119.04969	10.6
119.08580	27.5
121.06505	5.6
125.05995	14.1
128.06300	8.4
129.07002	19.3
131.00163	5.1
131.08575	10.1
133.06520	7.4
133.10106	5.3
135.08054	5.5
137.09599	32.0
143.08496	9.7
145.06456	18.2
145.10179	7.2
147.08023	32.7
151.11192	16.8
161.05928	5.5
163.11177	28.4
165.12749	8.5
175.11221	22.9
177.12782	7.5
179.10690	13.9
187.11247	31.1
189.12756	51.2
201.12689	34.6
203.14273	36.9
205.12244	46.9
208.53485	4.8
213.12761	10.1
215.07153	5.1
219.13847	5.4
231.13777	100.0
249.14799	53.4
267.15851	37.3
285.16794	22.4
306.70508	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	285.1694
Annotation	Dendronobilin L
Peak:m/z	Relative Intensity
56.01414	5.6
56.96547	8.7
57.03427	11.6
57.07070	100.0
58.30978	6.6
63.64046	7.5
65.03913	9.1
67.05497	60.5
70.33030	5.8
71.11098	7.1
78.27258	6.2
79.05485	83.5
81.07051	18.5
85.06530	43.0
91.05467	88.8
93.07030	9.8
95.04968	44.7
95.08619	10.9
105.03385	11.4
105.07031	30.9
107.04945	35.3
107.08547	8.2
117.07017	29.6
119.04958	21.8
119.08582	26.4
123.01339	7.8
125.05998	31.5
125.09641	15.5
128.06245	9.1
129.07007	19.4
131.08551	11.8
133.06462	14.4
133.30487	8.7
135.08141	8.9
137.09605	25.1
143.08514	10.2
145.06519	11.9
147.08032	26.3
151.11153	14.1
163.11160	30.5
175.11163	54.2
177.12811	11.7
187.11139	62.9
189.12753	48.0
191.14273	14.4
201.12706	18.3
203.14333	28.8
205.12279	35.2
213.12743	16.6
231.13757	67.8
249.14813	86.1
267.15952	50.7
285.16992	35.9
299.22855	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	285.1694
Annotation	Dendronobilin L
Peak:m/z	Relative Intensity
53.00304	3.5
53.03976	2.7
55.05507	6.4
56.52941	2.5
56.96558	6.7
57.03428	7.1
57.07060	21.0
61.02926	2.8
67.05491	25.8
69.03416	34.7
69.03719	2.8
69.07077	4.2
70.22523	2.9
71.04992	4.6
71.74978	2.9
75.04500	5.3
79.05501	9.0
81.03432	6.6
81.07043	23.4
81.07414	2.6
83.04982	3.5
85.02889	17.2
87.04455	18.9
91.05495	10.5
93.07034	19.4
95.04956	4.3
95.08611	7.7
97.02885	18.1
97.06557	4.3
99.04462	5.6
105.07044	10.7
107.08597	19.9
109.06532	5.7
109.10142	100.0
109.10832	6.0
115.03944	10.3
119.08604	8.8
121.10113	15.4
123.11761	10.3
127.03938	8.4
133.04979	9.6
133.10139	6.2
135.11732	11.2
143.01909	4.8
143.08649	3.1
145.05008	3.5
145.10165	5.2
147.11693	4.8
151.11205	5.9
159.11787	4.0
163.07536	4.0
171.97823	3.0
175.11209	3.2
177.12723	5.6
186.36876	3.3
219.13782	4.5
231.13849	5.2
237.15117	4.4
249.14954	9.6
267.15985	12.0
285.03995	9.8
285.13474	6.5
285.16937	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41321	30.8
55.05476	27.5
56.96552	58.9
57.03416	34.2
57.07060	100.0
58.96907	23.1
67.05483	45.2
69.07059	25.9
69.97666	20.9
81.07037	65.8
83.04952	28.8
83.83295	30.8
91.05430	36.0
93.06996	32.8
95.08617	31.0
105.07051	62.8
107.08611	49.7
109.10152	57.4
113.00388	29.4
119.08559	52.0
120.45316	27.0
127.11194	31.8
137.02278	34.2
147.11696	33.0
161.13231	47.5
172.45332	28.2
249.14922	64.9
285.03940	96.9
285.07376	46.3
285.12119	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	285.1695
Annotation	Dendronobilin L
Peak:m/z	Relative Intensity
52.09957	9.7
53.17951	7.8
55.05500	18.7
56.74456	10.6
56.96566	60.1
57.03426	86.2
57.07079	19.0
57.74297	9.4
67.05508	57.4
69.03445	13.0
69.07066	30.8
71.04989	25.2
79.05502	20.0
81.03447	28.6
81.07069	45.0
83.08638	27.8
85.00191	9.3
85.06547	52.8
86.09732	11.1
91.05528	15.9
93.07051	26.3
95.04998	37.0
95.08629	27.7
97.10155	15.3
99.80200	9.1
105.07071	36.1
107.08620	32.8
109.06509	12.3
109.10144	100.0
111.08154	12.9
119.08636	40.1
121.06525	12.7
121.10166	14.3
122.23639	12.2
123.08096	33.2
123.11745	19.3
126.51242	10.9
127.11191	80.8
133.10164	27.0
135.08124	13.1
135.40198	10.8
137.09657	39.6
151.11168	18.2
181.08548	52.7
207.13908	24.5
221.15508	39.8
224.83897	10.8
225.14832	13.1
229.66675	13.0
231.13858	15.0
249.14873	34.9
252.84998	12.8
267.16000	52.7
285.17108	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	5.6
55.74346	6.0
56.96301	8.1
56.96558	100.0
57.36927	4.3
60.86700	4.7
68.70290	5.2
69.07038	5.3
70.06235	7.8
70.06586	93.4
71.16154	4.3
72.08148	47.1
74.68417	6.0
74.97598	6.8
82.05459	4.8
84.04494	7.8
84.08140	7.1
86.09696	25.5
87.06580	4.7
93.06986	5.2
95.04939	7.0
97.99182	19.6
107.05008	7.8
116.00196	7.0
116.07075	58.8
137.09703	5.5
139.01816	14.0
143.11754	13.8
150.05528	16.5
150.99142	8.9
173.09196	27.5
184.06477	20.8
192.01788	8.0
197.02390	15.9
262.55255	5.9
306.52328	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	286.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	2.4
56.05033	2.7
56.96578	3.0
57.03449	2.8
59.05015	3.2
61.02931	5.7
65.87526	1.6
68.05029	2.0
69.03432	3.0
69.48960	1.5
70.06584	38.4
70.06937	2.7
71.04992	5.1
72.08144	13.4
81.03437	3.0
81.07040	11.7
83.06114	9.5
84.04501	13.7
86.09711	2.3
93.04551	7.2
95.04996	6.0
95.06093	14.0
110.07162	100.0
111.00914	2.1
112.07638	7.2
112.08782	3.4
115.23605	2.1
116.07092	13.6
117.92358	2.0
121.03616	2.1
121.07609	2.3
122.02790	5.9
123.04420	24.7
124.03997	7.1
125.53378	1.9
140.07076	3.0
145.14600	2.0
156.07681	13.9
163.12303	48.3
165.05493	6.0
169.13449	4.4
175.03966	3.1
190.13492	6.3
197.12898	3.2
203.03497	3.5
208.09799	2.6
208.14519	7.6
213.05717	3.0
236.14088	6.5
240.17148	4.9
254.15002	13.9
286.17618	55.9
287.05551	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3103
Annotation	ES-285
Peak:m/z	Relative Intensity
56.96547	2.6
57.07069	15.4
57.42417	1.5
58.06571	4.3
62.06081	9.0
66.97615	1.7
67.65839	1.5
71.08613	9.1
71.96192	1.4
85.10109	2.8
91.71128	1.7
100.50491	1.7
104.34161	1.8
112.71611	1.8
122.92970	1.7
156.17514	2.4
174.18466	4.8
192.93013	1.8
197.70255	2.1
212.23732	7.3
230.24763	37.5
230.27046	2.2
286.31012	100.0
287.05487	5.8
308.45184	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63317	1.0
57.07064	2.4
65.03925	1.5
68.99775	3.5
73.25914	1.3
93.07025	1.5
105.03410	1.6
107.04950	2.0
111.00817	2.0
111.04461	1.3
121.02835	8.8
133.02809	1.8
137.02365	3.7
147.04414	1.7
149.05995	1.3
153.01805	10.8
154.55008	1.4
157.06432	1.7
165.01816	3.2
183.02798	1.8
185.05922	2.0
199.03839	1.5
213.05414	4.6
215.34152	1.4
241.04950	2.2
287.05472	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51030	0.6
57.10188	0.5
62.01883	0.6
68.98173	0.6
68.99786	1.9
81.03427	0.8
87.62798	0.6
95.04978	0.8
98.30934	0.7
105.03375	1.3
107.04964	0.9
109.02890	1.3
111.00842	1.0
115.61417	0.8
119.04861	0.8
119.75661	0.8
121.02851	7.3
122.24984	0.9
122.86844	0.7
133.02802	1.2
137.02333	2.1
145.06505	0.8
147.04372	1.7
153.01819	11.2
157.06528	1.2
165.01845	4.3
183.02895	1.6
183.09413	0.8
213.05481	2.5
231.06473	1.1
241.04984	1.5
241.38431	0.7
258.05240	1.1
287.05484	100.0
288.05966	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Cyanidin
Peak:m/z	Relative Intensity
56.84049	0.9
56.96547	1.5
61.54335	0.8
65.03896	0.9
66.74335	0.8
68.99779	3.8
79.05501	1.1
81.06994	0.9
88.66337	1.0
95.04917	1.2
105.03382	2.0
105.07034	1.5
107.04966	2.1
107.08546	0.9
119.27114	0.9
121.02853	5.8
137.02357	3.6
145.06451	1.5
147.04391	2.7
151.44308	1.0
153.01825	9.3
157.06467	1.8
165.01833	3.3
171.04387	1.2
180.41457	1.1
183.02914	1.4
199.03889	1.8
201.05418	2.1
203.03325	1.7
213.05457	4.2
231.06581	1.5
245.04262	1.1
258.05234	2.5
259.06046	1.5
269.04510	1.4
287.05463	100.0
288.05829	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	287.0547
Annotation	5,7,2',6'-Tetrahydroxyflavone
Peak:m/z	Relative Intensity
53.78266	1.7
56.96552	1.9
57.07067	3.7
57.24522	1.8
61.82378	1.8
67.05493	4.9
68.99772	6.7
69.84194	1.7
73.74432	1.8
81.07049	4.7
90.94266	2.1
91.05460	5.7
93.06997	3.2
93.98773	2.0
95.08556	6.6
98.77412	2.0
100.86948	2.1
107.04936	5.1
107.08570	2.6
111.00776	4.1
121.02856	4.4
126.50484	2.4
127.43792	2.3
131.08554	3.2
139.03754	2.1
152.06932	3.2
153.01793	10.3
157.06447	3.3
165.01825	3.5
171.04430	3.9
175.03905	3.4
185.05922	2.9
199.03928	4.8
201.05586	2.8
213.05373	5.3
217.04799	3.0
241.04909	3.7
245.04250	2.6
278.74991	2.5
287.05463	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	5,7,2',6'-Tetrahydroxyflavone
Peak:m/z	Relative Intensity
57.06798	1.7
57.07068	25.8
58.20101	1.3
68.99786	9.8
74.99440	1.3
79.05477	2.2
91.05442	4.0
91.71702	1.5
93.07040	2.1
95.08566	1.8
100.65913	1.7
105.07014	2.3
107.04938	2.0
111.00825	4.9
117.06985	2.0
121.02869	4.1
121.06438	1.9
126.20703	1.7
129.06970	1.8
137.02356	3.4
139.03815	2.1
145.06473	2.9
147.04427	5.1
149.02327	1.8
153.01814	8.1
157.06451	2.9
159.11703	1.8
165.01834	2.8
167.07011	2.2
171.04364	7.5
173.05916	2.8
175.03856	3.3
185.06023	1.6
187.11096	2.6
199.03860	10.3
201.05357	2.2
203.03429	2.2
213.05438	8.7
217.04967	4.2
219.06546	3.4
233.11775	3.2
241.04913	4.7
245.04350	6.9
250.19951	1.6
251.12694	4.1
269.04263	2.3
269.13791	2.4
287.05475	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	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
56.96564	7.4
105.01393	5.6
109.80628	5.8
114.65661	5.9
121.02910	7.6
129.94815	5.6
141.20984	6.7
141.48973	6.9
153.01834	7.9
164.24193	6.2
166.81042	6.8
287.05481	100.0
305.20865	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	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86733	1.1
53.84194	1.3
68.99763	1.8
85.02891	2.4
105.03394	1.5
111.00780	2.2
121.02856	8.7
137.02353	2.2
153.01811	11.1
165.01826	2.3
179.78839	1.5
183.02878	1.8
213.05507	3.0
273.08893	1.9
287.05478	100.0
298.96909	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	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.01858	1.1
56.30434	0.7
56.96547	1.5
57.07054	2.7
65.03925	1.0
68.99773	2.9
69.07037	1.4
72.52681	0.9
79.05489	0.9
85.13972	1.0
91.05476	2.3
91.71682	0.9
95.04939	1.2
105.07073	1.1
107.04940	6.8
111.00785	2.7
111.08063	1.2
121.02859	9.5
121.06467	0.9
131.04909	1.5
133.02896	1.9
137.02335	2.8
139.05516	1.1
141.06871	1.0
147.04376	2.1
153.01836	11.3
157.06493	2.0
165.01807	4.2
171.04323	1.1
183.02893	2.1
185.05884	1.4
195.89433	1.0
213.05563	4.8
231.06567	1.6
239.07001	1.3
241.04886	3.3
244.80713	1.0
251.06833	1.0
258.05130	2.1
269.04352	4.2
287.05469	100.0
288.05756	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	287.0548
Annotation	Fisetin
Peak:m/z	Relative Intensity
63.02775	0.9
68.99764	3.5
78.94697	1.0
91.71013	2.5
97.45334	1.0
105.03397	2.0
107.04958	1.4
109.02876	1.1
111.00766	2.0
121.02862	9.3
133.02849	1.6
137.02359	2.6
145.06552	1.3
147.04396	1.7
152.61957	1.0
153.01819	13.5
157.06424	1.1
161.25235	1.0
165.01854	4.3
183.02919	1.4
185.05919	1.3
201.01460	1.1
213.05440	3.5
231.06479	1.3
241.04922	1.3
250.41936	1.5
258.05307	2.1
287.05490	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.55428	0.6
51.18887	0.7
57.36135	0.8
59.18665	0.9
61.42915	0.7
66.81245	0.8
68.99774	3.3
75.14668	0.7
79.05499	1.0
85.35062	0.8
91.71700	1.7
105.03393	1.8
107.04947	1.9
109.02861	1.3
111.00790	3.0
112.41315	0.7
121.02855	8.3
133.02837	1.5
136.67128	1.0
137.02307	2.1
147.04425	2.4
153.01822	12.1
153.10527	0.9
157.76900	1.0
165.01855	3.4
171.04330	1.6
175.04002	1.3
183.02882	1.7
185.05972	2.4
199.03958	1.2
203.03506	1.2
208.93532	0.9
213.05505	3.7
217.40865	1.0
231.06490	1.1
241.04909	1.6
258.05206	2.2
287.05478	100.0
288.05615	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	5,7,2',6'-Tetrahydroxyflavone
Peak:m/z	Relative Intensity
58.65110	2.2
61.59353	2.1
66.62823	2.4
68.99767	8.1
79.05488	2.1
81.31075	1.9
91.05453	5.5
95.74326	2.1
107.04953	3.1
111.00806	2.6
111.04469	2.7
111.16343	2.6
121.02858	5.5
122.03622	2.9
129.72891	2.6
137.05954	14.5
141.07053	2.2
147.04402	4.3
153.01817	6.7
157.06567	2.9
161.12968	2.1
171.04428	3.6
173.05891	2.9
185.05917	3.0
199.03938	6.4
213.05417	3.5
217.04919	3.6
241.05069	5.3
245.04317	5.2
258.05109	2.9
259.05975	3.4
287.05481	100.0
287.08578	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	287.0547
Annotation	Cyanidin
Peak:m/z	Relative Intensity
57.72359	1.8
60.04510	2.4
62.43730	1.6
68.99787	3.9
69.03416	1.8
69.25558	1.6
70.06581	6.9
72.08141	4.3
80.66873	1.8
84.04487	1.9
84.08128	3.7
85.02911	2.0
86.09702	8.9
93.07049	2.0
96.45160	2.0
100.28776	1.9
107.04964	2.3
111.00793	2.3
111.04437	2.2
116.06349	1.7
116.07096	6.6
117.00980	1.8
119.08605	2.1
119.56451	1.9
121.02876	12.6
136.72948	1.6
137.02350	2.4
141.53215	1.8
147.04324	2.7
153.01791	11.7
165.01813	3.7
175.09401	2.0
213.05553	3.9
258.05505	2.1
266.00888	1.9
287.05481	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	5,7,2',6'-Tetrahydroxyflavone
Peak:m/z	Relative Intensity
58.06584	2.4
68.61691	2.5
68.99796	16.6
70.36818	2.4
71.04971	10.5
78.81485	3.1
107.04935	3.7
111.00815	6.2
121.02897	3.8
145.06532	3.4
147.04439	5.5
147.65591	3.2
153.01865	7.1
165.01799	4.0
171.04395	8.9
175.03886	7.5
177.05452	3.8
182.40527	2.9
182.72719	3.5
185.05930	5.1
199.03894	18.0
201.05508	10.3
203.03317	5.1
213.05525	7.1
217.05006	8.8
219.06598	5.2
241.05038	5.3
245.04520	8.8
269.04254	4.4
287.05432	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0913
Annotation	Moracin A
Peak:m/z	Relative Intensity
53.17159	5.0
55.01866	6.0
56.12298	5.8
56.96547	8.5
57.07056	5.7
61.98452	4.4
68.99773	5.9
81.07042	7.6
91.05470	28.6
95.04973	7.1
101.51279	5.0
107.04951	16.2
119.04948	27.4
121.02811	7.4
121.06502	14.7
121.10216	6.2
123.04400	8.7
125.58944	5.7
137.05952	12.3
137.21918	5.8
139.03932	10.4
145.06520	8.2
151.03931	15.1
152.06187	6.3
153.01797	8.9
153.06960	19.8
155.08559	22.2
165.06992	66.6
171.04491	8.2
181.06454	30.8
183.08046	62.0
199.03867	9.8
209.05939	8.6
211.07545	47.4
213.05478	9.0
226.06219	10.6
231.06596	6.4
237.05470	7.4
241.08662	8.0
243.10298	16.6
254.05804	7.9
269.08014	81.2
287.05554	100.0
287.09009	17.1
287.12335	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	287.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00791	2.2
53.57449	2.3
56.96545	3.7
57.07059	3.2
57.67799	2.6
65.03924	2.1
65.80592	2.3
67.07144	2.0
68.99786	2.8
70.33716	2.4
77.48947	2.4
81.03410	3.3
91.05463	10.8
95.04961	3.6
95.08611	3.0
100.43793	2.6
105.07005	3.4
107.04910	5.7
117.67899	2.9
119.04964	7.1
121.02863	6.1
121.06458	2.9
129.07022	3.7
137.02316	5.2
137.05910	3.4
139.03889	2.8
141.70972	2.8
143.72301	2.9
149.06001	4.2
149.62399	3.0
151.03960	4.5
153.01846	7.9
153.06990	4.0
155.08551	6.6
165.06992	18.0
171.04405	4.0
180.37492	2.8
181.06430	6.2
183.08057	18.9
186.12685	2.9
197.35837	3.1
198.06621	2.9
199.03857	3.8
211.07536	14.1
213.05411	5.9
226.06398	4.4
243.10103	8.6
245.04395	3.9
262.84824	3.0
269.08026	24.4
287.05475	100.0
287.08578	4.2
287.12445	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	287.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.5
55.01862	4.8
55.05491	7.3
57.03418	4.5
57.07061	8.9
59.04995	13.1
63.61964	1.9
66.07189	2.2
67.05493	35.7
68.99771	2.7
69.03421	5.4
69.07045	5.6
71.04984	12.5
73.02921	4.7
73.26907	2.1
75.82000	2.3
79.05483	97.2
81.03400	13.2
81.07047	36.2
83.04965	30.9
83.08615	3.2
84.04501	3.9
85.06515	8.0
86.09704	3.5
87.00800	8.1
91.05469	30.4
91.71017	2.3
92.60558	2.3
93.07035	48.3
95.04956	18.0
95.08595	100.0
97.02859	4.2
97.06511	15.1
99.04465	4.1
104.35548	2.5
105.06490	2.7
105.07030	28.2
107.04945	57.0
107.08575	13.1
109.06504	8.3
109.10148	24.4
111.08057	12.8
117.07009	6.4
119.08570	69.1
121.02851	8.1
121.06496	6.8
121.10167	15.8
123.08060	45.0
123.11676	5.9
129.06967	2.5
131.04919	4.0
131.08488	3.9
132.05702	3.1
133.10133	7.7
135.11707	6.1
137.05971	7.9
137.09605	87.5
139.07477	2.3
141.05455	4.2
145.06432	5.0
145.10118	5.9
147.04359	2.6
147.08061	31.6
147.11700	3.6
153.01808	11.9
155.10652	65.6
157.10080	4.2
159.08061	3.6
159.11705	6.7
161.09593	4.3
165.01823	3.5
165.09091	34.7
173.09645	4.3
175.14857	6.0
179.10629	4.3
181.08748	2.7
183.10168	8.6
187.11140	13.3
187.14822	8.2
197.13220	2.8
201.11192	9.9
203.14296	4.2
205.12198	6.1
213.05441	4.3
215.14191	11.6
221.15256	4.0
233.11757	13.1
233.15393	8.1
243.59129	2.4
251.12689	7.0
251.16418	17.0
269.10178	9.3
269.13501	3.1
269.17542	4.6
280.75964	2.7
287.05447	94.0
287.14737	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	287.1252
Annotation	CAY10616
Peak:m/z	Relative Intensity
52.59385	1.8
54.18254	2.1
64.84982	2.1
73.97198	2.2
105.11514	2.4
118.38483	3.1
119.08661	2.5
164.57745	2.8
172.63678	2.6
211.56036	3.6
287.05521	8.1
287.12515	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1251
Annotation	CAY10616
Peak:m/z	Relative Intensity
53.69889	1.9
53.80282	2.0
56.19720	1.8
65.37955	2.0
78.24760	1.9
81.71295	2.0
95.51902	1.8
105.15276	2.0
138.16441	2.2
287.05505	9.8
287.12518	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.4
57.07066	100.0
67.05494	34.6
68.99773	1.3
69.07037	2.0
79.05470	6.5
81.03406	57.0
81.07043	8.1
83.04983	10.5
83.08624	2.1
84.77081	1.5
85.02885	12.0
85.06524	5.8
91.05476	6.4
93.07037	19.5
95.04956	14.3
95.08607	7.8
97.06534	3.3
99.04449	3.5
101.09663	2.7
105.07008	4.3
107.04953	4.1
107.08560	2.7
109.10185	4.2
119.08572	3.9
121.02908	2.7
121.06504	6.9
121.10163	3.3
123.04417	9.0
125.05978	2.8
127.03906	76.1
131.08572	3.8
135.04308	1.9
135.11763	1.6
137.06032	1.8
139.07559	2.9
141.05455	59.3
145.10173	2.0
147.04408	5.3
149.05975	4.6
153.01797	4.4
159.11656	2.0
161.96178	1.4
165.05492	9.1
167.07007	24.2
185.08087	12.7
187.05998	23.0
191.10774	2.4
195.06569	3.4
205.12277	4.0
209.11711	2.7
213.05505	2.2
233.11615	5.0
233.15404	4.1
251.12781	20.5
251.16582	1.8
269.13693	7.4
269.17719	1.4
287.05478	36.1
293.26987	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	287.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.4
57.07066	100.0
67.05494	34.6
68.99773	1.3
69.07037	2.0
79.05470	6.5
81.03406	57.0
81.07043	8.1
83.04983	10.5
83.08624	2.1
84.77081	1.5
85.02885	12.0
85.06524	5.8
91.05476	6.4
93.07037	19.5
95.04956	14.3
95.08607	7.8
97.06534	3.3
99.04449	3.5
101.09663	2.7
105.07008	4.3
107.04953	4.1
107.08560	2.7
109.10185	4.2
119.08572	3.9
121.02908	2.7
121.06504	6.9
121.10163	3.3
123.04417	9.0
125.05978	2.8
127.03906	76.1
131.08572	3.8
135.04308	1.9
135.11763	1.6
137.06032	1.8
139.07559	2.9
141.05455	59.3
145.10173	2.0
147.04408	5.3
149.05975	4.6
153.01797	4.4
159.11656	2.0
161.96178	1.4
165.05492	9.1
167.07007	24.2
185.08087	12.7
187.05998	23.0
191.10774	2.4
195.06569	3.4
205.12277	4.0
209.11711	2.7
213.05505	2.2
233.11615	5.0
233.15404	4.1
251.12781	20.5
251.16582	1.8
269.13693	7.4
269.17719	1.4
287.05478	36.1
293.26987	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	287.1486
Annotation	Tensyuic acid E
Peak:m/z	Relative Intensity
51.62481	1.9
57.06802	5.4
57.07069	100.0
67.05496	28.2
68.76546	2.2
69.07042	2.6
71.04990	3.8
79.05485	4.7
81.03413	55.2
81.07040	8.8
83.04953	8.4
83.08624	3.5
84.09612	2.5
85.02893	8.7
85.06525	2.8
85.61670	2.5
91.05490	4.5
93.07034	17.9
95.04957	11.1
95.08588	13.3
99.04481	2.6
101.09619	2.6
105.07025	4.7
105.25680	2.5
107.04945	4.1
107.08575	2.6
119.04973	5.7
121.02854	4.6
121.06476	9.9
121.10127	3.5
122.66196	2.5
123.04426	9.8
126.12656	2.4
127.03912	61.6
131.08575	3.3
135.11705	3.8
141.05464	52.4
147.04416	4.2
149.05960	3.8
153.01814	4.0
165.05479	7.1
167.07018	26.6
185.08107	7.6
187.06050	18.0
195.06500	3.7
205.12183	3.4
211.46745	2.7
233.11703	6.8
251.12833	15.4
269.14081	3.9
287.05487	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	287.164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	72.1
72.61608	23.7
79.66223	25.7
81.07040	45.9
87.49752	28.4
95.08620	30.0
121.60799	31.6
132.97208	31.4
179.25388	29.4
210.52321	30.1
220.75847	36.6
245.86446	32.6
257.04321	36.8
287.05505	100.0
287.16434	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	287.185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37365	2.0
51.54155	1.7
53.89448	1.9
55.01858	7.6
55.05494	10.9
56.47902	2.2
57.03425	5.2
57.07067	4.0
59.04984	3.8
65.03898	2.2
67.05496	31.7
68.99780	2.3
69.03426	4.8
69.07047	8.2
70.06584	3.0
71.04983	34.9
78.33160	2.1
79.05481	23.0
81.03421	5.7
81.07046	33.9
83.04970	7.2
83.08620	3.7
85.02896	38.9
85.06522	10.2
86.09666	3.6
91.05469	17.3
91.71700	5.0
93.07037	35.8
95.04961	10.5
95.08597	40.2
97.02857	3.3
97.06533	6.0
99.04462	16.4
99.08076	11.4
100.11256	3.2
101.06008	4.6
105.07015	11.4
107.04941	8.7
107.08578	11.1
109.06517	3.5
109.10155	9.2
111.04440	5.8
111.08054	3.5
115.03926	8.6
117.05459	7.6
117.07011	8.7
119.08591	14.8
121.02860	10.4
121.06487	6.7
121.10110	13.1
121.54993	2.3
123.08047	8.6
125.05973	3.3
125.09674	4.0
127.03976	4.0
129.05492	2.6
129.06938	2.8
131.07053	3.0
131.08530	15.2
133.10112	6.1
135.08063	5.9
135.11635	2.3
137.02324	3.1
137.05943	4.3
137.09624	6.1
139.11217	3.9
143.08528	4.7
145.10104	5.9
147.11664	3.2
149.05969	3.1
149.09680	5.8
151.07516	3.2
153.01810	11.8
153.05475	5.5
157.12219	2.4
159.11682	13.7
165.01741	5.5
173.13289	7.4
175.82321	2.9
177.12682	3.4
183.11665	6.1
187.11118	4.5
201.12672	7.6
215.10455	3.3
219.13753	8.2
227.11623	2.7
233.11880	5.0
233.15276	2.8
251.12617	5.2
251.16479	3.8
253.63530	3.1
269.13599	2.7
287.05460	100.0
288.05673	2.9
303.88870	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	287.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.7
55.05506	1.9
57.07062	0.8
59.89876	0.6
60.33913	0.6
65.03929	2.3
67.05491	8.7
68.99785	3.9
69.03407	1.8
69.07044	2.6
71.04984	3.4
77.22935	0.7
79.05479	5.6
81.07048	10.8
83.04954	1.8
85.02888	2.1
85.06514	1.5
91.05460	5.4
93.07040	9.5
95.04971	2.9
95.08593	9.5
97.02875	1.3
97.06523	2.3
105.03360	1.5
105.07008	5.4
107.04938	2.3
107.08568	5.3
109.06532	1.6
109.10147	5.1
111.00802	2.6
111.04433	2.3
111.08064	1.5
117.07000	0.8
119.08593	6.4
119.36668	0.7
120.15753	0.8
121.02850	10.0
121.06496	2.2
121.10136	4.9
123.11717	3.6
131.08566	2.9
133.02829	0.8
133.10089	3.7
134.15181	0.8
135.08075	1.0
135.11658	2.9
136.07585	1.5
137.02339	2.2
137.05949	2.4
137.09624	1.0
139.11053	0.8
145.06514	0.8
145.10135	3.0
147.04414	1.5
147.07999	1.2
147.11681	1.3
149.09564	0.9
153.01813	13.1
153.09016	1.1
157.06506	1.3
157.10204	1.3
159.08110	1.0
159.11691	3.0
161.09622	3.3
165.01825	4.2
167.10646	1.0
171.04402	1.5
173.09598	2.3
175.14822	2.8
179.10707	1.5
183.02867	1.6
185.05922	1.3
187.14743	3.9
193.64638	0.8
197.13188	1.7
203.14265	2.4
213.05508	4.5
215.14349	4.9
221.15376	2.6
229.05217	0.9
233.15337	3.0
241.04883	1.4
251.16425	7.1
258.05185	1.8
259.05893	1.1
269.17618	1.6
287.05466	100.0
288.05756	4.0
308.09637	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.7
55.05506	1.9
57.07062	0.8
59.89876	0.6
60.33913	0.6
65.03929	2.3
67.05491	8.7
68.99785	3.9
69.03407	1.8
69.07044	2.6
71.04984	3.4
77.22935	0.7
79.05479	5.6
81.07048	10.8
83.04954	1.8
85.02888	2.1
85.06514	1.5
91.05460	5.4
93.07040	9.5
95.04971	2.9
95.08593	9.5
97.02875	1.3
97.06523	2.3
105.03360	1.5
105.07008	5.4
107.04938	2.3
107.08568	5.3
109.06532	1.6
109.10147	5.1
111.00802	2.6
111.04433	2.3
111.08064	1.5
117.07000	0.8
119.08593	6.4
119.36668	0.7
120.15753	0.8
121.02850	10.0
121.06496	2.2
121.10136	4.9
123.11717	3.6
131.08566	2.9
133.02829	0.8
133.10089	3.7
134.15181	0.8
135.08075	1.0
135.11658	2.9
136.07585	1.5
137.02339	2.2
137.05949	2.4
137.09624	1.0
139.11053	0.8
145.06514	0.8
145.10135	3.0
147.04414	1.5
147.07999	1.2
147.11681	1.3
149.09564	0.9
153.01813	13.1
153.09016	1.1
157.06506	1.3
157.10204	1.3
159.08110	1.0
159.11691	3.0
161.09622	3.3
165.01825	4.2
167.10646	1.0
171.04402	1.5
173.09598	2.3
175.14822	2.8
179.10707	1.5
183.02867	1.6
185.05922	1.3
187.14743	3.9
193.64638	0.8
197.13188	1.7
203.14265	2.4
213.05508	4.5
215.14349	4.9
221.15376	2.6
229.05217	0.9
233.15337	3.0
241.04883	1.4
251.16425	7.1
258.05185	1.8
259.05893	1.1
269.17618	1.6
287.05466	100.0
288.05756	4.0
308.09637	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2215
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
55.01851	9.4
55.05062	5.7
55.05499	50.3
56.96546	21.3
57.07064	75.1
57.28231	6.1
67.05485	72.2
69.07061	100.0
71.08605	29.3
72.08126	13.1
73.06544	6.3
79.05475	23.3
81.07050	93.5
83.04971	12.7
83.08610	71.1
85.06532	12.5
85.10165	9.2
89.16518	5.6
90.09192	9.8
91.05465	12.1
93.07020	53.0
95.04968	6.5
95.08584	79.3
97.06506	35.7
97.10170	36.7
105.07017	8.1
107.04938	11.8
107.08567	37.6
109.06503	9.4
109.10162	49.3
111.08081	18.5
111.11713	10.5
111.98627	6.2
119.08589	14.9
121.10137	37.0
123.11746	19.3
123.58333	6.6
125.09631	9.9
129.73860	7.6
133.06483	14.1
133.10138	9.4
135.11710	33.4
139.11176	11.8
147.04388	13.9
147.08087	10.9
147.87772	6.9
148.08830	25.5
149.13280	32.4
153.12671	11.6
157.12248	7.1
163.03922	11.0
167.14336	9.8
169.43576	7.4
191.33243	8.2
205.19443	34.1
208.00485	7.7
223.20554	9.3
259.01285	10.2
277.02463	10.0
286.31067	17.3
287.05484	31.6
287.22101	69.5
287.31256	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	21.0
57.07061	6.6
62.29161	4.4
63.91776	5.4
67.05501	63.2
69.07048	18.2
71.16422	5.0
71.38501	5.2
77.64979	5.6
79.05479	53.8
81.07047	78.8
83.08627	8.8
90.19160	5.9
91.05466	37.2
92.30059	5.9
93.07034	57.2
95.08599	58.9
97.10226	10.7
105.07011	22.4
107.08572	43.3
109.10146	23.7
119.08595	17.8
121.10130	79.2
123.11689	11.1
133.10112	20.6
135.11691	40.7
137.13272	7.8
147.11729	16.6
149.13228	14.7
161.13309	21.4
175.14871	14.4
189.16360	14.6
191.17984	9.2
196.58385	7.6
205.19571	10.6
231.21335	7.8
287.05426	75.4
287.27280	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88881	3.7
62.09430	3.5
69.63680	4.3
74.13700	3.4
77.00900	5.2
82.01431	20.2
85.01367	4.2
100.02478	30.6
101.00869	5.0
103.02441	11.7
113.00892	5.4
118.03526	12.9
119.01936	16.4
121.03416	3.9
123.04066	21.7
124.02398	7.7
131.01904	12.8
141.05096	7.1
142.03487	14.4
144.99806	11.8
147.01405	32.4
150.00305	5.1
152.01955	5.5
154.03487	9.8
163.00880	9.7
165.05157	6.1
168.01387	26.3
170.02934	23.1
172.99257	9.9
175.00880	33.6
177.05061	9.2
186.02455	21.3
191.00397	14.0
191.02989	14.0
193.04601	10.0
196.00879	30.7
198.02483	43.4
209.01495	5.1
209.04132	18.6
214.01952	36.7
219.02475	41.7
221.02090	4.4
221.04115	14.9
224.00301	6.1
237.03462	32.8
239.05302	4.6
242.01443	37.6
260.02725	5.7
265.03012	100.0
265.05646	7.6
270.00937	19.4
288.02005	16.7
288.04694	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	288.159
Annotation	Dihydromorphine
Peak:m/z	Relative Intensity
55.05508	1.5
64.37476	1.4
68.04998	2.6
79.05453	2.7
82.06570	1.8
89.85287	1.2
91.05457	2.0
95.47186	1.4
102.07299	1.6
103.46013	1.3
110.24013	1.6
111.95136	1.5
121.06506	16.0
131.08562	3.0
133.06473	1.9
141.06995	1.7
145.06442	2.4
159.08003	5.8
183.08046	2.1
184.08842	2.3
187.11200	1.9
199.11217	4.7
200.10603	9.3
202.08618	3.1
212.10594	2.2
228.10138	24.1
232.09624	2.9
240.10172	7.4
246.11191	14.6
255.12514	4.7
270.14865	18.9
282.95111	1.8
288.15909	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16468	3.6
52.81924	3.2
53.03926	3.1
55.01869	4.2
55.05509	4.6
56.05036	3.4
56.96564	6.5
60.04512	13.4
63.90395	3.5
67.05509	18.1
67.30096	3.3
68.05027	6.9
69.03411	3.5
69.07068	9.6
70.06582	16.4
72.04504	6.8
72.08141	11.4
74.06060	4.0
75.86201	3.6
79.05481	18.7
81.03415	100.0
81.07028	18.8
84.04507	9.1
84.08141	16.7
85.02892	7.8
85.06543	4.6
86.09695	27.2
91.05494	21.2
91.49692	3.8
93.07055	13.5
95.04971	12.5
95.08615	6.3
96.04496	9.8
97.02888	7.7
99.04427	4.1
105.07030	11.8
107.04958	24.4
107.07392	3.5
107.08591	15.9
109.06494	4.3
109.10194	4.4
109.56541	3.4
119.08585	10.5
121.06471	9.1
121.10122	7.6
123.08074	4.6
124.07592	12.9
125.07905	13.3
125.08794	4.3
127.20270	3.9
129.07053	5.0
129.10246	13.9
131.08551	5.1
133.06519	4.5
133.10110	7.8
133.93863	3.5
147.11650	7.5
149.09637	7.8
161.06084	4.6
161.09694	3.9
167.10658	9.0
168.90482	3.6
171.11761	4.2
182.03442	3.8
187.35002	3.9
189.12764	6.3
191.10696	4.2
207.13904	4.2
213.17734	4.4
217.12282	9.6
235.13309	30.7
252.16002	17.0
253.14363	29.0
270.17242	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	288.1916
Annotation	Leu-Val-Gly
Peak:m/z	Relative Intensity
54.59157	1.3
55.05510	7.8
56.05029	1.3
56.96551	3.0
59.35702	1.1
60.04513	2.9
60.35054	1.1
67.05490	2.6
69.03415	1.2
69.07063	1.6
70.06586	9.1
71.04970	1.3
72.08147	100.0
73.95035	1.2
76.10503	1.1
81.03411	1.8
85.02892	1.4
86.09697	69.5
91.05492	2.2
95.08613	2.1
99.53703	1.5
103.05386	1.4
104.07098	3.9
112.08733	2.3
122.78551	1.4
126.60278	1.5
129.10228	22.0
132.10181	9.9
133.06448	1.5
143.11784	16.4
154.10147	1.6
157.09718	11.4
157.13342	13.8
171.11282	4.6
185.12805	5.3
189.12334	8.0
217.15746	1.9
270.16797	2.0
272.54538	1.9
288.05994	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	288.203
Annotation	Leucylarginine
Peak:m/z	Relative Intensity
50.45490	0.8
53.27345	0.7
56.05028	1.3
56.96550	1.0
57.03426	0.9
57.67556	0.9
60.05385	1.1
60.05646	14.6
69.03415	1.7
69.07048	0.9
70.06584	100.0
71.04976	1.9
71.10344	0.8
72.08148	8.1
74.06078	5.4
81.03413	2.8
82.06575	1.5
84.04490	3.3
84.08118	5.7
85.02872	2.3
86.06046	2.4
86.09715	12.6
94.06548	2.1
95.01323	1.9
98.06036	3.8
99.04441	1.1
100.07589	3.0
101.07144	1.0
108.04462	1.5
109.02898	1.6
110.06032	1.5
110.07128	1.0
112.07557	1.2
112.08719	8.4
113.02369	1.8
113.07104	0.8
113.96400	1.1
115.08684	2.2
116.07087	19.3
127.03898	2.0
127.08642	1.1
128.07057	3.6
129.10210	2.4
130.08647	1.0
130.09758	2.1
137.78041	1.1
141.01811	1.2
156.11229	1.5
157.10825	2.2
158.09247	2.4
173.09290	1.6
175.11906	17.5
185.03905	1.0
197.43233	1.0
203.05266	2.5
212.12801	1.4
228.16924	1.7
229.15372	2.6
271.17722	6.0
288.11423	1.7
288.20288	46.5
289.05774	2.3
289.08966	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	288.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	11.9
59.35709	1.1
70.06588	17.0
71.08613	4.3
88.07616	22.8
88.47531	1.4
92.29247	1.4
102.09176	4.2
106.08646	12.3
186.96712	1.8
244.26338	1.9
255.04092	1.7
270.27866	4.8
288.05832	7.7
288.28931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	21.6
63.14527	1.5
63.58187	1.6
69.25105	1.3
70.06577	22.5
70.76161	1.5
71.08610	12.2
85.10173	4.4
88.07615	34.3
100.17599	1.7
104.12857	1.7
106.08649	40.3
108.61788	1.7
160.51703	1.7
231.13794	2.3
242.16890	1.7
288.28925	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	1.1
57.07069	12.3
60.04499	1.4
66.65111	1.0
67.05485	3.5
70.06240	1.6
70.06584	20.2
70.41177	0.9
71.08611	7.4
72.61793	0.9
81.07033	2.1
85.10158	1.9
88.07619	23.9
92.13338	1.2
95.08595	3.3
102.09169	5.2
104.99295	2.4
106.08665	19.8
121.10172	1.8
122.10394	1.4
133.77235	1.1
135.83415	1.1
154.02228	1.7
232.01692	1.8
270.27853	4.9
288.05823	18.0
288.16617	1.5
288.28943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70275	0.9
60.27322	1.1
69.03415	1.0
74.64801	1.1
75.30030	1.0
82.88265	1.1
85.02924	1.9
91.71172	1.4
93.07032	1.4
95.04962	1.3
103.05434	1.6
107.04962	1.3
111.04450	1.4
121.02904	3.0
122.96019	1.3
123.04414	2.0
127.03915	2.6
135.04420	4.0
138.65234	1.2
139.03941	3.0
144.98862	1.3
149.05977	3.3
153.65103	1.5
177.05484	4.9
187.03920	2.5
196.07019	1.4
197.84258	1.2
215.03447	7.6
243.02934	4.3
271.02350	100.0
271.09711	3.5
289.03290	2.7
298.63989	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0706
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
53.51358	1.4
56.06835	1.5
56.96561	3.0
57.38202	1.7
60.04480	1.7
65.03925	9.2
67.05489	2.7
70.06567	7.8
71.39214	1.9
72.08149	10.8
81.03372	3.2
84.04482	2.2
85.02865	3.0
86.09690	16.8
86.92346	1.8
87.10021	4.0
89.03884	3.3
91.71587	3.1
93.03384	3.1
95.04967	3.5
107.04947	5.5
109.02889	2.3
109.06512	3.0
111.04431	32.2
117.03386	3.1
123.04413	48.9
127.03913	42.0
127.07607	3.2
130.06544	2.7
131.04878	3.8
134.06015	6.2
135.04411	100.0
137.02341	4.6
137.06023	2.3
139.03902	45.1
149.02380	5.7
149.06032	2.6
151.03893	25.9
156.83850	1.9
163.03897	21.1
169.06422	2.9
173.05971	2.7
177.05499	2.3
185.16481	4.5
201.05478	2.2
205.04716	2.2
217.36227	2.1
220.64124	2.1
231.06754	2.9
243.06534	2.2
244.12627	2.1
246.04723	2.1
253.11296	2.5
259.05902	3.0
261.07602	6.0
271.06012	8.7
289.07141	8.4
289.11841	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0705
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
57.00760	1.8
57.03415	2.8
64.18945	1.6
65.03925	2.9
67.01851	9.1
67.05493	4.2
68.99780	7.2
69.03410	3.5
69.07047	2.0
71.04975	3.3
76.07040	2.1
79.05514	2.9
81.03397	2.8
81.07062	4.2
85.02900	3.1
86.09697	4.4
91.05479	3.2
92.10595	1.8
94.65160	1.7
95.04984	5.9
95.08659	2.1
97.02866	2.2
97.14173	2.0
97.20552	2.1
100.77152	1.9
107.04948	77.7
111.04447	4.0
121.02852	11.7
123.04455	3.5
127.03887	16.6
130.33264	2.3
135.04422	8.3
137.02315	2.5
139.03911	5.2
141.07004	2.5
149.02327	55.8
153.01823	100.0
163.03831	2.5
167.03340	10.8
169.06479	3.9
171.02881	31.9
176.06999	2.4
195.02855	8.5
197.05928	5.6
215.07010	49.9
215.08929	4.0
243.06512	40.7
246.32884	2.2
258.83560	2.1
271.05936	11.7
289.07037	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0705
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
55.01858	1.6
65.03913	2.9
68.99780	3.6
69.60998	1.3
70.47739	1.2
76.97580	1.3
79.05470	1.3
79.87726	1.5
88.89129	1.4
91.05469	8.0
102.37687	1.3
107.04953	25.3
119.04927	1.7
121.02862	10.5
131.04871	1.7
131.08565	1.6
141.07034	3.4
145.02840	1.8
147.04388	2.2
147.08051	2.9
149.02335	74.2
153.01813	16.5
165.65433	1.4
169.06459	4.6
187.03835	2.0
197.06039	7.8
215.07027	68.8
243.06512	100.0
248.36897	1.5
253.07983	1.7
271.05988	36.1
271.08865	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	289.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
57.10666	1.2
60.04498	1.2
60.55169	1.0
65.03933	1.7
67.46917	1.1
68.99792	2.8
81.63306	1.4
91.05511	7.0
91.05981	1.3
95.04985	1.5
107.04952	31.2
119.04960	4.7
121.02853	15.2
123.04496	1.7
131.04919	1.7
141.06996	4.6
142.25531	1.3
147.04456	2.8
149.02341	81.8
153.01830	19.7
159.08055	2.0
169.06519	6.9
191.55402	1.4
197.05981	6.8
215.07021	79.3
243.06517	100.0
253.04936	2.1
271.05984	35.7
271.08847	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	289.0706
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
56.96567	2.8
60.03832	1.9
65.03927	9.0
67.05479	2.0
69.03392	3.0
70.06583	3.6
72.08133	13.9
85.06623	2.1
86.09711	13.9
89.03900	4.7
91.05463	2.2
93.03387	4.3
95.04948	5.7
103.05502	2.3
104.79667	2.2
107.04955	6.3
111.04443	40.6
113.62453	2.2
123.04430	59.8
127.03909	51.8
134.05983	5.9
135.04411	100.0
136.04819	3.0
139.03906	54.6
149.02341	4.9
151.03941	20.8
159.04326	2.7
163.03920	23.9
185.16466	6.5
186.16862	3.7
197.06001	2.7
209.23642	2.6
258.31604	2.3
259.06058	5.0
261.07632	5.4
271.06036	8.2
289.07001	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	289.1069
Annotation	Aristogin E
Peak:m/z	Relative Intensity
55.05520	4.1
58.61629	4.2
58.72018	5.5
59.54856	4.2
60.25519	4.6
71.13998	4.9
72.08132	4.4
78.04713	10.3
79.05489	7.2
81.03410	7.5
81.07077	4.7
85.02901	15.2
86.09673	5.8
91.05466	34.2
92.05805	9.1
95.00652	5.1
95.04960	18.1
97.02870	8.9
99.04468	9.7
105.03405	9.2
107.04948	8.7
108.05740	57.7
109.06520	6.6
111.04416	11.2
121.09335	5.2
123.04445	12.7
127.03893	7.2
128.14107	5.6
129.10197	9.0
135.04417	39.0
137.05986	12.5
139.03914	18.0
140.00217	5.0
159.07982	5.7
162.73434	6.3
185.06001	5.4
199.07562	10.0
211.07538	12.0
212.07864	5.8
231.10135	10.1
243.10219	11.0
244.10486	10.2
259.09705	33.3
267.72870	6.3
271.09622	100.0
276.01221	5.3
289.07236	6.8
289.10690	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	289.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83719	2.2
53.03928	2.3
55.01859	3.0
55.05491	6.9
56.11285	2.4
57.03431	2.3
58.04860	2.1
65.03915	2.4
67.05498	30.1
69.03423	4.4
69.07066	6.2
71.04987	3.1
73.02908	5.0
79.05486	44.4
81.06591	4.4
81.07049	51.1
82.48244	2.4
83.04974	7.1
87.04466	3.4
91.05488	14.9
91.18657	2.7
93.07039	79.3
95.04977	7.8
95.08604	23.4
97.02898	2.9
97.06558	4.1
101.69184	2.6
104.19473	2.0
105.07050	7.5
107.04943	8.4
107.08599	11.4
111.04440	8.4
121.10141	100.0
123.11685	4.6
125.06019	4.2
131.08582	18.6
139.11205	8.7
149.09624	32.0
152.20398	2.5
167.10681	13.4
271.38751	2.6
291.36548	2.4
314.64294	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	289.1408
Annotation	4-Methylumbelliferyl heptanoate
Peak:m/z	Relative Intensity
56.14685	3.1
56.96545	4.9
57.07072	5.3
67.05477	3.8
67.13964	3.1
69.91512	2.8
74.61890	3.3
85.80759	3.9
99.27738	3.3
106.00683	3.5
171.11890	4.4
289.14047	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
65.81739	3.0
70.33500	3.0
72.26060	3.7
77.95055	3.5
81.07067	3.3
122.24172	3.4
148.72137	4.1
160.26601	3.7
164.40532	3.4
241.70100	3.7
289.14099	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1432
Annotation	Cryptomoscatone D2
Peak:m/z	Relative Intensity
54.67278	2.4
55.01855	3.9
67.05484	8.1
67.07787	2.8
69.03413	7.2
69.07017	3.1
71.01348	3.0
79.05474	6.8
81.03397	6.5
81.07041	14.4
82.03759	3.0
91.05463	22.7
93.07028	11.4
93.66225	3.1
95.04961	100.0
95.08602	5.3
97.02894	8.4
102.35985	3.0
105.07018	20.5
107.04962	5.2
107.08595	10.0
109.06504	5.0
109.51340	2.6
110.99310	2.9
111.04437	3.4
111.08074	3.4
114.48679	2.9
117.07014	6.8
119.04932	2.9
119.08594	7.0
119.54125	2.5
121.06493	11.1
123.04413	29.6
128.06177	4.5
129.06978	4.3
131.04918	35.7
131.08575	10.5
133.10143	13.4
135.08083	11.0
137.06007	5.1
143.08586	8.2
145.06479	3.4
147.08055	7.5
148.36697	3.2
149.09621	6.9
159.08087	5.5
160.18318	3.4
161.09627	25.5
175.07443	3.4
177.09064	3.7
179.10722	4.5
182.11098	3.6
183.08081	3.8
195.08098	5.3
225.12769	8.1
235.07431	3.8
235.11203	8.2
243.13721	5.4
253.12148	18.7
271.13257	7.5
289.14322	11.2
293.72443	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	289.1794
Annotation	Estriol
Peak:m/z	Relative Intensity
55.05494	10.5
57.07069	66.7
59.09836	5.9
67.05492	12.8
69.07044	7.9
71.89707	6.9
81.07040	13.4
83.04976	11.9
85.06526	19.6
91.71671	9.4
95.04965	14.2
97.06524	10.0
105.07026	26.5
119.08543	11.6
121.06499	9.9
122.85417	8.3
123.08033	11.1
135.08026	11.2
145.06435	14.0
150.12393	6.8
157.10081	12.5
159.08130	10.2
159.11676	19.5
165.12737	34.2
169.10115	51.1
177.12753	18.5
179.08459	8.1
187.11208	15.3
197.09718	9.6
198.13889	9.2
201.12810	12.6
213.25581	6.9
222.08405	7.2
243.17325	57.8
253.15869	25.0
259.27594	7.7
271.16879	33.8
289.17917	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1798
Annotation	3,5-Bis(3-methyl-2-butenyl)-4-methoxybenzoic acid
Peak:m/z	Relative Intensity
51.55013	5.8
57.07067	60.0
62.09211	4.8
67.05495	8.1
69.07077	7.4
72.48920	6.3
81.07067	19.7
83.05043	7.0
83.09669	6.1
85.06561	21.2
95.05000	9.8
105.07064	13.7
109.06519	15.0
116.70489	6.4
119.08558	7.0
127.69803	6.5
131.08589	8.7
138.79274	7.8
159.11717	9.5
165.12823	15.9
169.10199	27.3
181.15796	6.8
185.09560	7.2
187.11348	11.3
243.17458	28.0
271.16925	16.9
289.18069	42.4
289.21680	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1795
Annotation	3,5-Bis(3-methyl-2-butenyl)-4-methoxybenzoic acid
Peak:m/z	Relative Intensity
53.14901	3.7
55.05495	7.0
56.38657	4.6
57.07067	59.8
66.90131	4.1
67.05494	29.0
67.31020	4.2
69.03418	8.0
69.07043	9.9
71.63083	3.8
74.97222	4.7
79.05476	15.0
81.07030	21.5
83.04977	7.0
85.06522	20.8
91.05471	17.6
93.07043	10.4
95.04965	11.2
95.08605	11.9
97.06519	15.0
105.07022	19.1
107.08585	7.8
109.06495	8.1
109.10139	6.3
110.70107	4.2
115.05453	5.1
117.07030	7.7
119.08581	10.0
121.10168	5.3
123.08068	12.3
125.22466	5.4
128.40083	4.6
129.07042	6.2
131.08563	9.9
133.06467	9.1
135.08034	13.6
143.08582	6.2
145.06470	12.1
145.10130	10.2
158.07262	5.8
159.08066	9.4
159.11691	13.3
165.12729	37.1
166.63945	4.5
169.10110	43.3
177.12730	16.4
187.11214	21.4
193.10028	5.3
195.08128	6.5
197.09683	10.8
197.20380	6.1
198.06795	5.5
201.12762	8.9
205.12111	9.2
209.09697	6.2
218.48076	4.6
243.17409	50.4
253.15817	14.9
261.18634	5.6
271.16876	37.4
289.17981	100.0
289.21280	4.5
289.24966	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	289.1795
Annotation	3,5-Bis(3-methyl-2-butenyl)-4-methoxybenzoic acid
Peak:m/z	Relative Intensity
55.05504	20.4
57.07066	75.8
59.66188	12.6
61.64234	10.9
63.69149	10.1
64.24659	10.4
67.05485	14.6
69.07037	12.5
71.61093	12.8
73.12998	10.4
78.43542	12.0
81.07073	17.5
85.06539	25.9
86.78004	13.3
107.08685	14.3
115.37295	12.7
125.19910	14.1
150.54326	14.2
165.12785	22.7
169.10118	19.5
187.11226	15.8
201.12727	20.7
221.62392	15.7
243.17480	55.9
253.15758	21.7
289.18076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1795
Annotation	3,5-Bis(3-methyl-2-butenyl)-4-methoxybenzoic acid
Peak:m/z	Relative Intensity
51.88341	2.5
55.05494	7.5
57.07066	63.0
57.60324	2.8
67.05501	18.6
69.03416	13.9
69.07037	7.6
74.23438	3.1
78.68687	3.2
79.05471	11.1
81.07036	13.1
83.04973	10.4
85.06525	18.0
87.06193	3.4
91.05452	5.6
91.71030	8.9
93.07005	4.3
94.48310	3.4
95.04960	13.2
95.08574	5.8
97.06509	8.5
104.37261	4.3
105.07015	16.8
109.06480	4.6
117.07012	8.4
119.08573	7.9
121.06512	7.8
123.04445	4.8
123.08063	11.6
131.08545	8.1
135.08037	10.4
143.08557	7.3
144.09319	3.8
145.06482	12.1
145.10071	4.4
151.11166	5.9
154.07773	4.7
157.10081	5.9
158.07298	5.2
159.08171	7.2
159.11655	19.6
165.12738	36.4
169.10124	45.8
177.12729	14.5
185.09586	7.9
187.11110	18.7
197.09615	10.4
201.12740	11.1
205.12212	6.7
213.09146	7.3
229.12297	4.1
229.15915	5.6
243.17404	58.1
253.15868	14.5
261.18433	7.4
271.16882	35.8
288.93701	4.0
289.17935	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	2.6
55.05499	3.3
56.10017	2.4
56.74836	2.1
56.96557	12.2
57.06799	5.4
57.07067	87.3
58.07395	2.3
59.11016	2.0
64.31661	2.3
67.05482	8.3
69.07047	2.7
72.04506	14.5
79.05497	3.2
81.07030	6.3
91.05478	23.4
93.07007	2.9
95.08578	4.3
100.07610	51.0
102.88667	2.9
103.05325	2.3
109.10169	3.5
119.04951	24.0
119.08563	8.7
131.08611	4.8
133.10130	7.4
147.04399	100.0
147.05508	5.9
147.11693	3.4
156.13837	60.3
199.36536	2.7
261.22128	9.0
289.14511	3.4
289.18176	3.6
289.21643	6.0
289.25461	3.3
307.15497	3.4
309.17285	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	289.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23875	3.2
55.01862	17.3
55.05503	22.8
57.03416	10.6
57.07064	4.2
59.04995	9.6
67.05495	70.7
68.58898	3.0
69.07059	60.3
71.04614	4.4
71.04985	65.2
73.02924	4.0
74.15891	3.6
79.05492	18.6
81.03387	5.7
81.07050	97.3
83.04966	12.5
83.08618	9.4
85.02896	100.0
87.04467	12.5
91.05458	35.1
93.07039	19.4
95.01337	5.0
95.04968	23.0
95.08600	33.2
96.40097	3.8
97.06563	8.4
97.10168	5.7
99.04449	41.3
99.08081	4.4
101.06015	11.2
105.07021	41.5
107.08577	11.3
109.06538	10.6
109.10155	10.5
111.04415	11.1
113.05998	7.6
115.03927	40.2
117.05503	23.8
119.08582	34.2
121.06580	5.9
121.10146	7.1
123.04413	4.1
123.08042	6.4
123.11715	24.6
125.05943	6.5
127.03917	9.7
128.18761	3.6
129.05492	10.4
133.06523	5.0
133.10136	16.0
137.05975	5.1
139.07535	5.0
139.11250	4.1
141.05499	3.9
141.12749	9.9
147.08009	5.0
147.11723	6.9
149.09653	5.8
151.07564	4.8
159.11703	13.4
161.13264	33.3
165.09119	7.5
175.14835	15.9
179.14261	5.5
185.13313	6.9
193.15909	11.7
203.14297	18.4
221.15349	30.2
235.16823	7.4
239.16486	7.6
253.18042	6.2
253.26389	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	289.216
Annotation	Pipataline
Peak:m/z	Relative Intensity
55.05507	37.3
57.07052	12.1
67.05482	28.1
67.28362	5.2
68.15778	5.8
69.07040	20.6
79.05476	24.8
81.07050	25.2
83.04975	7.7
91.05466	29.7
93.07033	32.7
93.64043	6.7
95.08618	14.5
105.07024	44.7
107.08578	26.8
109.06543	7.4
119.08566	35.3
121.06501	31.1
123.08034	7.9
131.08545	17.5
133.10088	12.2
135.04350	8.8
135.08061	15.4
135.11703	7.8
145.10075	10.9
149.09523	7.9
151.32112	6.9
159.11693	13.0
163.11259	8.6
177.12752	32.7
184.08932	7.1
187.14758	8.2
218.90744	6.6
220.83752	7.4
261.22070	27.7
289.18066	21.5
289.21637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.216
Annotation	Pipataline
Peak:m/z	Relative Intensity
55.05503	1.2
57.07069	17.0
59.04973	0.6
67.05498	3.7
69.03382	0.8
69.07059	1.3
79.05456	1.2
80.82518	0.7
81.07042	6.2
83.04974	0.9
83.08575	1.0
85.06531	7.5
91.05457	1.6
93.07011	1.9
95.04951	2.1
95.08581	1.9
97.06523	1.0
105.07026	3.3
107.08595	1.4
109.06483	4.6
109.16311	0.6
117.07000	0.7
119.04901	1.2
119.08568	1.4
129.06929	0.7
131.08565	1.9
133.10123	1.8
145.10085	1.4
151.11151	1.5
157.10147	0.9
160.08751	0.7
161.09613	4.1
163.11124	1.0
169.09995	0.9
179.14357	0.7
181.15773	1.0
184.76610	0.8
189.09146	1.3
189.12744	1.0
193.15857	1.5
196.74048	0.8
203.10635	2.5
203.14349	0.8
215.14337	0.8
223.52185	0.7
231.13828	6.6
245.18935	0.9
246.16127	5.0
260.35971	0.7
261.22110	1.6
289.21582	100.0
290.21875	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	289.2372
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
52.24112	9.4
54.47924	12.0
55.05507	78.3
57.07061	24.5
57.79198	9.3
62.26219	9.5
62.65650	10.6
67.05497	68.0
67.05788	14.5
69.07050	100.0
79.05484	16.4
81.04017	11.1
81.07047	79.8
83.08614	67.5
83.98600	9.6
91.05449	22.1
91.71748	23.8
93.07028	21.9
95.08602	82.7
97.10161	44.6
97.14413	9.6
105.07028	22.4
107.08610	26.3
109.10145	32.3
111.11690	16.6
119.08559	23.6
121.10136	29.4
123.11720	12.5
128.65443	12.5
132.32433	13.9
133.10104	29.8
135.11674	29.4
137.13240	12.9
147.11696	32.2
217.19510	37.4
235.20596	40.1
289.05960	19.5
289.14056	42.6
294.70163	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	289.2522
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
55.05509	19.3
57.07079	40.0
63.38727	10.3
64.37837	13.1
67.05483	65.6
79.05481	29.8
81.07075	55.8
91.05495	44.6
93.07063	43.6
95.08636	46.9
105.07061	18.3
107.08588	29.0
109.10179	21.2
117.07072	16.1
119.08589	17.5
121.10187	45.6
131.08582	28.0
133.10196	22.4
135.11688	17.5
137.41728	13.5
145.10156	31.0
147.11725	17.4
148.67386	13.0
188.79016	13.1
269.40842	15.1
271.24255	51.6
289.25299	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2523
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
54.62674	3.2
55.05514	13.6
57.07058	35.1
67.05492	63.4
69.07067	16.8
70.91486	3.4
71.08641	13.5
79.05481	23.0
81.07046	69.8
83.08635	15.9
85.06551	12.0
85.10184	5.5
91.05487	39.7
91.71038	6.0
93.07017	42.5
95.04967	5.1
95.08585	40.2
97.06553	10.3
97.10217	4.3
99.02240	4.2
105.07010	21.7
106.72717	3.7
107.08630	17.2
108.27988	3.8
109.06577	5.7
109.10149	23.8
111.08146	4.6
117.07072	13.0
119.08619	18.4
121.10117	46.7
121.10829	3.9
123.11707	11.2
131.08556	31.9
133.10109	24.9
135.11697	34.1
137.13281	5.7
145.10091	24.1
147.11745	14.8
148.10957	4.0
149.13272	10.0
159.11761	14.5
161.13307	9.2
163.11111	4.8
170.26871	4.1
173.13313	18.1
175.14841	8.2
177.16351	6.8
187.14874	10.0
189.16492	9.8
191.18053	11.9
198.27306	4.6
201.16458	6.6
205.19646	12.5
248.42792	4.5
271.24133	67.8
271.26596	5.5
289.21951	5.0
289.25217	100.0
290.25827	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	289.2523
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
55.05503	14.1
57.07060	29.6
64.88239	8.6
67.05500	47.6
69.07059	17.1
71.08622	17.6
78.49917	8.4
78.72904	7.5
79.05480	40.0
81.07041	52.4
83.08580	8.3
85.06509	9.5
91.05463	48.6
93.07027	31.5
95.08594	39.6
105.07031	24.7
107.08607	17.8
117.27756	8.9
119.08557	20.0
121.10118	36.6
123.41566	8.5
131.08565	28.9
133.10115	14.4
135.11665	15.1
139.14505	9.6
145.10156	26.8
147.11702	12.8
159.11749	18.2
173.13261	18.1
178.96230	9.8
189.71483	8.6
191.17952	13.0
205.19533	15.9
228.63664	8.9
243.75230	9.7
249.72739	9.3
271.24210	65.7
275.97849	10.2
285.64865	9.7
289.25195	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93335	1.7
53.03942	1.9
55.05256	3.0
55.05505	46.3
57.07066	15.8
59.18867	1.5
59.89829	1.6
66.67722	1.7
67.05499	61.9
69.07062	68.1
71.04982	8.0
71.08627	5.9
76.50391	1.9
79.05494	2.9
81.07049	97.9
81.07534	4.9
83.08614	67.7
85.06550	5.1
85.10155	2.0
93.07040	3.6
94.63653	2.0
95.08601	100.0
97.10165	55.3
109.10152	53.6
111.11711	18.7
120.57588	2.1
123.11693	22.7
125.13283	6.5
132.48575	2.0
137.13272	11.9
151.14842	7.4
179.17992	3.9
195.92303	2.1
235.24210	4.3
253.25194	4.4
289.29358	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	290.1345
Annotation	Ophthalmate
Peak:m/z	Relative Intensity
50.56854	1.0
56.05019	1.4
58.06594	100.0
60.67846	1.2
67.05491	1.0
68.05031	1.7
70.06579	8.3
72.08147	21.9
74.06070	3.8
74.09681	1.1
84.04501	21.8
84.08150	1.5
86.06068	1.2
86.09690	6.3
88.03996	1.5
109.02864	1.5
120.06596	1.4
123.09037	1.3
123.88780	1.2
124.07593	2.1
127.44012	1.1
129.10233	2.6
130.04994	4.6
143.11780	6.0
144.10178	1.2
157.13257	1.5
161.09222	21.7
162.99898	1.4
169.09793	1.6
170.08112	1.4
171.11272	2.0
173.12773	2.3
215.10329	8.7
266.77228	1.2
290.13507	5.6
293.23950	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	290.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65305	1.5
57.07069	11.7
61.11050	1.9
66.27161	1.6
70.06582	25.2
71.08606	3.6
71.99902	1.7
75.34872	2.1
84.19711	1.9
88.07625	35.1
102.09177	21.0
114.63570	1.9
228.23192	49.7
272.25723	3.1
290.26855	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87541	2.5
56.96561	47.4
59.43262	2.7
64.74055	3.4
69.50275	2.9
76.92985	3.4
81.35378	3.1
87.04372	3.0
98.97575	100.0
98.98213	5.7
101.57078	3.3
101.60502	2.9
105.35467	3.6
107.08618	3.4
116.98615	48.7
123.04450	3.8
128.98639	4.2
132.19464	3.4
134.99638	12.8
139.03886	8.5
140.00182	56.1
143.00185	11.5
152.00163	4.7
154.01755	3.9
158.01245	23.8
158.99661	5.6
161.01230	10.7
166.01796	14.5
166.53882	3.9
170.01297	4.2
170.99654	8.4
177.00786	8.1
181.02841	13.9
181.73195	3.4
182.32971	4.1
182.99678	11.3
184.02759	19.3
189.00714	10.7
200.02324	7.1
201.00728	12.0
207.04437	15.7
212.02191	20.1
219.01761	5.7
224.02327	13.7
242.03360	22.6
249.02771	9.2
267.04013	4.9
270.34186	4.0
272.04471	26.0
290.05582	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	291.0384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73853	7.1
56.96557	80.0
57.73336	9.5
67.05515	12.1
84.96004	11.6
93.07043	30.4
97.23098	9.7
98.97550	50.7
104.03993	9.2
107.08559	15.4
110.97573	17.1
111.15298	9.8
116.98613	31.2
123.04441	40.2
126.93129	10.3
128.98598	23.0
135.11711	23.7
139.03908	61.3
140.00195	38.2
146.99678	20.6
147.04381	21.5
152.00159	30.9
154.01772	21.8
158.01227	20.4
170.01224	33.2
170.99638	15.8
172.02829	15.1
181.02837	25.1
189.00769	21.1
193.02869	29.7
212.02252	100.0
230.03329	11.2
253.39769	11.1
272.04352	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	291.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77665	7.8
56.96555	68.1
57.07065	8.5
57.95275	6.9
71.35667	7.8
84.43022	7.5
93.07014	41.8
98.97571	100.0
116.98612	57.9
123.04424	14.3
126.70007	8.1
130.68048	8.4
139.03871	20.3
140.00182	71.2
142.07690	8.9
143.00270	11.7
158.01239	26.6
158.99582	9.4
162.83774	10.6
166.01717	12.0
181.02876	33.0
184.02765	21.4
189.00803	11.1
189.15538	12.2
201.00764	17.2
207.04411	20.7
212.02275	23.5
224.02245	16.5
242.03423	26.6
272.04373	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	291.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58244	5.5
56.33894	5.7
56.96561	79.3
61.39525	5.6
64.53775	6.1
85.02866	5.9
89.68477	7.2
90.62297	7.3
98.97575	100.0
109.82010	7.2
116.98608	49.0
123.04397	38.1
124.99078	7.6
134.99658	21.4
139.03879	58.3
140.00183	92.1
143.00159	9.5
158.01270	41.8
161.01230	14.1
161.05931	7.5
166.01730	12.0
177.00720	16.4
181.02904	36.6
182.01242	8.2
184.02827	30.1
184.45547	7.0
193.39337	7.7
200.02303	12.4
201.00751	17.4
207.04413	34.3
212.02344	21.2
219.01855	10.4
223.03899	9.0
224.02347	30.8
230.73586	8.0
242.03299	31.4
272.04410	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	291.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77665	7.8
56.96555	68.1
57.07065	8.5
57.95275	6.9
71.35667	7.8
84.43022	7.5
93.07014	41.8
98.97571	100.0
116.98612	57.9
123.04424	14.3
126.70007	8.1
130.68048	8.4
139.03871	20.3
140.00182	71.2
142.07690	8.9
143.00270	11.7
158.01239	26.6
158.99582	9.4
162.83774	10.6
166.01717	12.0
181.02876	33.0
184.02765	21.4
189.00803	11.1
189.15538	12.2
201.00764	17.2
207.04411	20.7
212.02275	23.5
224.02245	16.5
242.03423	26.6
272.04373	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	291.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62871	13.5
53.51987	11.5
55.01849	14.0
55.05512	13.3
56.05024	12.8
56.96558	77.1
57.03424	18.6
58.06588	12.5
63.18253	12.8
63.60471	12.2
69.03415	16.6
70.06580	79.2
72.08146	61.3
80.40663	12.3
81.03401	21.2
84.04485	63.7
84.08128	47.8
85.02889	30.1
86.09701	100.0
95.94450	13.4
98.97607	23.9
99.04478	15.4
109.02863	17.0
116.07068	23.2
129.05533	31.4
130.05058	15.6
140.00249	18.5
157.13388	18.5
174.99216	16.9
175.02292	41.1
180.03410	17.0
181.02902	15.2
193.19145	16.3
198.00739	18.3
239.03510	17.9
247.59491	14.1
291.08502	35.1
291.13251	28.0
314.05441	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	291.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07107	0.9
52.81283	0.9
53.03928	4.5
64.36504	0.9
65.03928	3.1
66.70607	0.9
69.03427	6.4
69.03720	1.0
71.04981	1.7
78.80865	1.0
81.02927	2.3
81.03407	33.9
81.07045	1.3
91.05467	17.2
93.07078	1.3
95.08617	1.4
95.89065	1.2
97.02845	1.5
99.04483	2.7
109.02866	9.6
110.39130	1.0
117.63031	1.0
119.04935	30.7
121.41672	1.1
127.03942	1.4
135.11662	1.3
141.20848	1.1
147.04398	100.0
148.04839	1.2
165.05450	3.5
183.11751	1.0
203.29448	1.1
209.81534	1.3
291.08585	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	291.0862
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.85442	0.9
55.01862	2.7
59.75386	0.8
60.36433	0.7
65.03920	1.5
67.05485	3.6
67.55236	0.7
68.99786	2.6
69.03385	1.1
70.06581	1.2
76.12305	0.8
83.04974	2.8
83.70068	0.9
91.05481	2.6
93.03402	2.1
95.04964	5.7
111.04431	3.5
115.05465	1.7
119.04921	6.6
123.04423	62.8
124.04694	1.1
125.14761	0.9
127.03925	1.6
127.07565	1.1
136.07619	0.9
137.02428	0.9
137.05962	1.1
139.03897	100.0
142.42360	1.0
143.04962	2.5
147.04399	22.5
151.03923	1.5
161.05968	7.1
163.03842	0.9
165.05470	13.9
169.04843	1.3
179.07036	3.5
189.05511	1.8
207.06493	5.9
249.07529	1.3
291.08652	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	291.0862
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
55.01854	1.9
87.87150	1.7
91.05470	1.8
95.04950	3.7
100.47549	1.8
111.04444	2.1
115.65665	1.6
115.74395	1.6
119.04948	7.2
123.04422	68.1
127.03900	2.5
131.15929	1.9
136.62492	1.7
139.03894	100.0
143.04933	3.0
147.04399	18.9
161.06012	7.3
165.05473	9.4
179.07079	3.5
207.06561	5.9
291.08725	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	291.0974
Annotation	Indole-3-acetyl-L-aspartic acid
Peak:m/z	Relative Intensity
51.29868	0.6
56.80708	0.6
56.96528	1.1
60.04528	0.5
67.05480	0.7
67.72280	0.6
70.06586	1.2
72.08153	0.7
74.02428	2.9
86.09710	0.8
88.03979	4.7
95.04947	0.6
97.44705	0.5
103.05466	1.0
107.04983	0.6
116.03407	1.0
130.06525	100.0
131.06891	0.8
134.04480	8.7
145.49693	0.6
146.88647	0.5
234.23293	0.6
273.08737	0.9
291.09726	0.9
305.38574	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42548	2.4
52.94613	2.9
56.96529	2.9
60.05638	20.2
66.83240	2.7
70.06579	100.0
71.04987	16.0
72.08144	8.5
74.02424	4.7
80.24069	2.8
88.04019	3.0
88.07610	5.6
95.06094	9.8
112.08714	15.2
113.07139	4.7
115.08706	9.7
116.03448	5.0
116.07080	19.3
119.46829	2.9
119.73103	3.0
130.09790	9.7
134.04489	4.9
158.09245	13.0
168.06575	5.7
175.11864	44.9
175.13049	3.4
186.07524	4.0
187.72737	3.2
213.09081	3.4
214.07040	3.4
232.08092	7.2
250.24426	3.3
291.09760	4.3
291.12967	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1337
Annotation	Limazepine B2
Peak:m/z	Relative Intensity
55.74504	2.2
56.96541	4.8
57.03415	4.4
65.03925	3.7
67.05476	8.9
69.03385	5.4
69.07047	4.0
73.02895	3.6
81.03377	7.2
81.07021	3.8
85.02846	3.3
91.05462	5.6
93.07059	3.3
94.06565	4.1
95.04948	3.1
95.08609	3.7
97.02870	6.7
105.07002	3.3
109.02815	2.9
109.06448	3.0
110.76836	2.8
122.06019	5.0
124.07565	5.4
136.03883	4.9
137.02356	3.9
138.09111	11.9
140.00179	2.8
140.07062	9.8
145.10098	2.7
150.05444	5.3
154.04991	9.6
174.08952	3.0
188.10663	3.6
200.10739	10.1
209.24184	3.1
216.10217	4.5
218.11719	5.9
228.10226	21.1
229.11031	3.6
240.09038	3.3
241.09563	6.7
242.10524	6.1
243.11185	8.3
245.12811	10.9
246.11230	8.1
255.11304	5.1
256.09732	4.3
273.12305	10.5
274.10727	10.0
287.05356	5.4
291.13342	100.0
292.13580	3.0
307.93787	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	291.1337
Annotation	Limazepine B2
Peak:m/z	Relative Intensity
61.01151	5.3
65.03930	5.6
66.60139	3.1
69.07058	3.2
71.04984	4.2
79.05484	3.7
83.04983	3.9
84.08144	24.6
88.74461	4.0
93.03403	4.3
96.08169	5.1
122.06055	6.3
124.07610	9.7
129.06984	4.2
132.08408	22.4
136.03983	9.4
137.02359	4.5
138.09128	21.3
140.07045	4.5
154.05020	15.0
200.10783	9.3
202.06049	13.5
213.10217	12.6
215.08359	4.7
217.13486	5.5
227.08167	8.4
227.11809	5.6
228.10330	18.3
230.17360	4.1
241.09705	11.1
242.10532	11.3
243.11252	27.6
244.12163	9.1
245.12808	19.1
246.11380	10.5
255.11467	8.6
273.12256	26.8
274.10800	5.5
288.91837	4.4
291.08472	36.1
291.13348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.8
55.01858	6.0
55.05489	4.1
57.03423	3.9
65.03920	10.9
65.48750	2.3
67.05492	19.9
68.36532	2.5
69.07044	10.4
71.04962	10.8
79.05466	11.2
80.04984	4.3
81.07054	20.7
83.04957	8.1
83.08587	3.3
85.02895	17.9
87.04436	5.2
91.05453	8.4
93.03397	6.3
93.07034	23.0
94.06522	5.0
95.04968	7.2
95.08598	32.6
96.08134	3.6
97.06508	4.3
99.04434	10.0
99.08088	3.9
105.07000	5.1
106.06532	3.4
107.08599	8.7
108.04462	4.6
109.10136	2.5
117.06991	2.9
119.08548	3.5
121.06528	5.4
121.10148	15.8
122.06000	6.0
123.04417	9.2
124.07596	12.9
127.03855	4.2
131.08556	5.1
135.11694	5.5
136.03925	11.7
137.02344	9.0
138.09135	27.1
139.03882	7.9
139.11192	9.0
140.07100	4.5
145.10103	4.1
153.12672	5.1
154.04977	20.6
157.08896	4.3
159.11690	9.7
166.05173	2.5
172.11232	5.3
173.13354	4.3
174.09224	4.6
175.12363	3.5
185.08318	4.6
188.09329	3.8
188.10849	5.2
198.07814	3.5
199.08678	4.4
199.12341	3.5
200.10776	6.2
201.10353	2.8
201.12663	6.3
202.10909	4.0
203.08032	2.9
203.11751	5.5
211.08626	3.6
212.09586	4.4
213.08240	2.8
213.10179	5.9
215.11760	6.0
216.10362	3.1
217.09639	3.5
217.13362	7.7
218.11720	4.0
219.13802	10.6
227.08139	8.7
227.11810	9.8
228.10210	36.7
229.11143	3.4
231.11270	5.9
232.11931	2.9
237.14810	6.1
240.08868	3.1
241.09744	11.8
242.08199	2.6
242.10362	14.9
242.95721	2.5
243.11247	16.8
244.12097	10.1
245.12796	26.3
246.11287	8.2
255.11139	4.6
255.15938	5.8
256.09656	4.6
263.13867	2.9
273.12292	27.2
274.10709	10.0
284.52420	2.8
291.13367	100.0
303.26547	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	291.1338
Annotation	Limazepine B2
Peak:m/z	Relative Intensity
65.03915	8.5
67.05481	11.6
68.93954	2.3
69.07057	3.1
71.04978	9.4
79.03673	2.6
79.05481	8.6
80.04994	5.8
81.07034	6.2
83.04969	4.0
85.02882	6.0
85.06494	3.1
91.05495	4.5
93.07040	13.4
94.06537	3.6
95.04959	3.6
95.08597	6.9
96.08123	5.1
105.07007	5.9
106.17368	2.7
108.04488	5.0
121.10105	4.0
122.06007	4.5
124.07555	10.8
130.06505	14.7
136.03955	6.6
137.02296	8.3
138.09145	17.7
139.03902	3.0
140.07040	6.4
154.05002	23.9
157.08823	3.6
159.11700	3.8
164.07051	3.3
175.08630	4.6
175.12350	4.6
176.10669	2.9
184.09889	3.2
185.08348	5.9
199.08493	3.0
200.10698	8.3
201.10297	3.6
202.11118	3.8
203.11775	5.2
210.09145	3.3
212.09309	5.3
213.08170	4.8
213.10280	8.6
215.11806	7.8
216.10382	3.8
216.12370	4.0
217.13362	6.0
219.13708	3.9
219.72304	2.9
227.08200	9.1
227.11795	7.8
228.10246	25.0
241.09726	16.4
242.10489	17.6
243.11238	13.7
244.12108	9.0
245.12813	19.2
246.11232	9.0
255.11276	7.3
260.11392	3.7
273.12329	22.5
274.10733	9.9
291.13354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38009	0.7
56.96537	1.0
60.04511	1.3
61.01141	20.1
67.05480	1.7
68.79103	0.9
69.07059	1.0
70.06587	1.3
71.06875	0.8
72.08141	1.4
79.05470	0.9
81.07025	1.5
81.74488	0.8
84.04485	1.7
84.08133	100.0
85.02855	0.8
85.08458	1.3
86.09694	2.0
91.05498	0.9
93.07012	1.3
95.08615	1.0
110.07144	1.0
130.68462	0.9
132.08420	95.2
133.08771	0.9
139.03860	1.0
140.00154	0.9
180.13678	0.9
215.13913	1.4
291.13788	1.4
291.17224	16.3
314.40546	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1801
Annotation	oscr#14
Peak:m/z	Relative Intensity
52.06104	2.4
53.26272	2.5
55.01860	11.2
55.05495	14.7
55.05741	3.7
56.04996	2.8
57.03423	11.5
57.07068	4.9
67.05498	79.8
69.03391	3.4
69.07060	21.8
71.04983	37.7
79.05482	29.2
81.03413	3.6
81.07047	45.8
83.04967	10.5
83.08630	4.2
85.02904	100.0
85.06547	3.7
87.04453	12.1
91.05471	15.1
93.07037	42.7
95.04958	7.7
95.08595	68.3
97.06534	12.2
99.04458	37.8
101.02343	4.5
103.03959	5.6
105.07055	9.7
107.04950	6.8
107.08575	16.3
109.10131	24.8
111.04464	4.7
111.08070	14.8
115.03937	14.6
117.07021	12.0
119.08588	7.5
121.06483	10.5
121.10134	24.7
123.11703	6.5
127.03886	16.4
129.07024	3.4
131.08577	11.8
135.08090	3.9
135.11713	6.4
137.09602	4.6
139.11200	32.7
145.05055	4.6
145.10147	4.0
147.08087	4.9
149.09579	4.2
153.05478	4.7
153.12759	9.7
157.10129	5.2
159.11708	25.1
165.09096	3.8
167.07047	4.9
167.56955	3.3
173.13281	6.4
177.12665	5.8
183.11758	5.8
191.14333	6.8
201.12823	4.5
204.40651	3.4
219.13882	21.7
237.14923	14.1
238.95093	3.6
248.71333	3.7
255.15965	5.6
257.10205	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	291.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	3.7
55.01863	12.5
55.05503	15.8
55.99836	3.9
57.03434	22.6
61.02909	5.4
63.24389	3.9
65.03937	4.0
67.05132	4.4
67.05496	85.0
69.03419	5.2
69.07061	30.8
69.94006	3.5
70.06579	8.7
71.04983	43.4
73.02865	4.5
79.05485	31.6
81.03406	9.0
81.07051	82.5
81.14481	3.8
83.04977	12.9
85.02422	7.1
85.02901	74.1
87.04459	9.0
91.05479	19.3
93.07042	64.6
95.04971	9.6
95.08601	100.0
97.06528	14.1
99.04440	39.2
99.08077	12.9
101.02387	8.4
105.07021	18.6
107.04965	8.6
107.08575	21.9
109.06526	6.3
109.10179	24.1
111.04453	9.5
111.08118	20.9
111.11755	4.9
113.09665	8.7
115.03963	7.6
116.82227	4.6
117.05553	4.4
117.07001	14.0
119.08577	9.7
121.06512	12.4
121.10155	40.1
123.04415	6.8
123.08051	7.0
127.03933	9.9
131.08557	16.2
133.10088	5.6
135.11726	15.8
137.06000	5.1
137.09583	9.1
139.07588	9.3
139.11189	37.8
140.07057	6.5
145.10143	11.0
149.05988	11.0
153.12767	22.5
154.05066	4.8
155.08553	5.6
157.10118	8.5
159.11719	22.4
161.82059	5.0
173.13246	13.2
175.11195	6.4
185.08073	12.0
185.88423	4.9
199.18153	4.3
199.39993	4.5
201.12749	6.7
211.09639	7.7
219.13737	23.1
228.10307	6.3
237.14822	19.4
246.11342	7.0
250.04077	5.1
255.15935	13.0
257.10211	18.4
273.12436	5.9
291.13528	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56269	1.7
55.05504	3.4
56.96547	2.9
57.18628	1.8
58.16302	1.9
59.37392	2.2
64.45224	2.1
67.05495	3.0
72.22555	1.9
80.47450	2.3
81.07026	5.8
87.07574	2.2
91.05471	3.3
93.07025	5.3
95.08577	2.5
97.10191	2.9
98.97566	5.0
107.04967	3.0
109.10124	4.0
123.04387	17.0
123.11696	2.5
125.09609	5.3
127.11162	2.7
137.05995	4.5
137.09636	4.9
139.03905	5.3
139.11191	9.0
140.00244	2.4
147.08002	2.8
149.05989	6.9
163.07588	3.2
165.09100	51.0
175.07491	3.2
177.09091	20.9
179.10680	9.0
182.13858	2.5
203.31308	2.2
205.38663	2.5
207.13799	6.0
219.13876	4.0
233.15378	6.0
249.14828	6.5
282.56390	3.1
291.15674	100.0
291.19498	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	291.1952
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.01844	0.8
55.05302	0.9
55.05506	10.4
56.80105	0.8
57.07059	1.9
59.04995	29.6
61.94883	0.8
67.05492	2.3
69.03418	2.4
69.07071	1.8
78.64169	0.9
81.07049	4.6
83.04971	2.0
83.08611	18.9
85.06525	1.3
91.05464	5.8
93.07030	2.5
95.04956	1.8
95.08607	3.2
97.06526	1.4
105.07025	5.8
107.08600	4.3
109.06498	6.9
111.08089	2.7
117.07003	3.3
119.08580	7.2
121.06502	9.1
123.08074	5.6
125.09601	0.9
128.06238	2.8
131.08577	3.6
133.10141	3.6
135.08073	2.8
137.09628	2.1
137.39406	1.0
143.08592	7.4
145.10129	2.4
149.09653	4.5
157.10144	1.7
159.08006	1.4
161.09584	14.9
173.09645	3.1
173.13254	1.5
175.11261	2.3
191.14322	3.0
215.14346	3.9
218.02896	1.1
233.15347	100.0
273.18506	3.8
291.19550	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	291.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21524	1.3
52.21895	1.3
52.53976	1.5
53.03486	1.2
55.05506	9.6
57.07059	1.8
59.04994	30.8
59.56406	1.1
65.20193	1.2
67.05486	3.2
69.03414	1.9
69.07050	3.8
73.62901	1.5
79.05497	1.7
81.07040	5.5
83.04962	2.4
83.08611	16.8
91.05473	5.6
91.71062	1.8
93.07047	5.3
95.08607	5.4
105.07026	7.1
105.07645	1.4
107.08619	3.1
109.06516	5.3
111.08079	4.4
115.05470	1.3
117.07027	3.5
119.08604	6.2
121.06485	12.3
121.10109	1.4
123.08083	6.0
128.06235	4.4
131.08578	3.0
133.10123	4.1
135.11661	1.3
143.08569	7.9
145.10143	2.2
149.09618	4.1
152.16084	1.6
156.42767	1.5
159.08060	2.1
161.09586	14.0
163.11217	2.4
173.09645	5.0
175.11281	1.8
191.14307	3.4
215.14291	3.4
233.15349	100.0
273.18448	3.4
291.19519	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	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.05469	2.2
55.05500	4.2
56.60748	2.5
56.96545	3.3
57.07061	5.3
60.04517	3.2
64.87448	2.5
67.05482	5.5
69.03397	4.3
69.07043	13.1
71.04959	3.9
79.05469	5.7
81.07029	10.4
91.05450	6.0
93.07038	20.6
93.07533	3.5
95.04951	2.7
95.08566	7.3
104.36528	2.8
105.07014	12.7
107.04957	5.1
107.08577	9.8
109.06515	17.3
109.10138	4.1
111.11675	3.0
119.08563	5.1
121.10135	36.5
123.08067	5.3
125.09583	3.4
131.08475	3.8
135.07999	5.8
139.11211	3.4
147.04443	6.1
149.09616	15.4
152.29372	2.9
157.10147	3.3
158.58955	2.8
167.10655	100.0
172.68239	3.1
173.13187	5.9
176.12413	2.9
187.88515	3.4
189.12813	3.1
191.10670	3.4
199.82538	2.8
215.14330	3.6
233.15324	12.9
273.18518	5.7
291.15842	6.8
291.19452	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	291.1952
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
57.07068	33.2
65.03920	4.7
67.05483	12.7
69.03437	5.1
69.07064	6.7
76.27149	4.1
78.91701	4.5
79.05492	26.3
80.44225	5.4
81.07045	16.8
82.48576	4.5
85.06535	6.5
91.05470	17.3
93.07040	19.4
95.04974	7.1
95.08605	7.3
95.59333	4.4
105.07023	28.0
107.08579	15.7
109.06524	5.8
110.96233	4.4
117.06946	8.6
119.08580	18.0
121.06470	7.6
121.10132	14.2
123.08076	7.9
129.06985	6.6
131.08528	6.8
134.07350	5.6
135.08057	21.8
143.08566	10.1
151.11142	6.0
157.10144	7.1
159.11720	7.1
165.12744	19.6
171.11722	21.2
177.12730	100.0
189.12788	14.3
197.09613	6.4
199.11105	8.6
201.12766	11.3
202.64680	5.1
203.14476	8.3
255.17262	26.7
273.18436	56.9
291.19547	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	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
55.01870	15.4
55.05502	17.5
56.96556	11.6
57.03418	28.6
65.03936	11.0
67.05485	41.4
69.07071	11.2
70.06542	11.0
79.05480	30.4
81.07046	34.0
83.72901	10.8
84.44695	10.2
85.68473	10.0
88.07646	25.2
90.22305	9.5
91.05466	40.6
93.07033	28.6
95.04961	46.5
95.08596	30.7
99.80588	9.6
104.41921	10.1
105.07040	31.4
107.04942	20.3
107.08611	15.4
109.06532	92.3
114.37825	12.4
119.08543	15.2
131.08540	22.5
134.25095	11.7
135.08035	100.0
173.66762	10.1
217.15886	16.3
272.06293	12.0
273.18454	27.7
290.27048	13.8
291.19525	43.8
291.27280	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	291.1952
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.05514	5.8
57.07069	4.9
59.04984	3.1
61.46139	2.0
67.05502	5.2
69.03412	2.4
69.07062	2.1
71.04967	3.1
77.27528	2.1
79.05484	4.6
81.07059	8.2
83.08611	4.6
85.06557	3.8
91.05468	8.1
91.71406	7.5
93.07021	11.3
95.04952	6.8
95.08607	16.2
97.06536	4.1
105.07036	12.2
107.04960	4.7
107.08588	11.1
109.06526	8.2
109.10199	3.1
111.08086	27.3
114.96682	2.1
117.06969	2.4
117.45567	2.5
119.08597	10.0
121.10134	8.2
123.08065	37.1
131.08589	5.8
133.06509	4.1
133.10147	6.5
135.08052	6.0
135.11694	3.1
137.09625	4.0
143.08620	3.6
145.10141	17.4
147.08052	2.9
147.11771	4.9
149.09637	5.2
151.07539	100.0
157.10115	4.5
159.08150	2.4
159.11717	5.4
161.09622	4.8
163.11179	5.5
171.11739	4.8
173.09886	2.5
173.13309	7.5
175.11201	3.1
177.09000	2.7
179.10722	4.2
187.11255	3.3
189.12769	25.6
191.14297	2.7
197.11758	11.7
197.13309	2.9
207.13794	63.7
215.14404	4.9
233.15356	13.6
272.60294	2.8
273.18555	7.4
291.19498	38.3
292.65619	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	291.1951
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.71348	5.3
55.05496	7.3
56.96547	11.8
57.07071	11.5
67.05496	15.9
71.04974	8.4
79.05478	17.2
79.07343	6.0
81.07023	16.0
83.08591	9.7
91.05495	17.6
91.70956	7.0
93.07038	20.1
95.08601	22.4
99.00364	6.9
105.07034	24.2
107.04971	11.3
107.08585	18.9
109.06524	10.2
111.08078	49.5
117.07165	9.2
119.08610	14.2
120.45388	7.2
121.10101	9.1
123.08083	32.2
123.28340	8.4
132.61755	7.5
133.10106	16.2
135.08022	9.1
145.10097	13.6
151.07538	100.0
189.12791	30.1
197.11783	13.0
207.13782	50.8
225.32260	8.6
233.15387	29.8
250.18076	9.8
273.18295	12.3
291.19537	62.0
307.64935	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	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.39632	10.4
51.81681	9.6
53.95755	9.5
55.05502	30.8
56.96549	23.6
57.03419	26.3
62.23667	10.6
63.60140	9.9
67.05489	44.5
69.07052	28.1
71.05006	11.4
79.05477	49.2
81.07058	85.7
83.04958	17.2
83.08601	15.4
91.05016	13.2
91.05466	79.5
93.07041	73.5
95.04945	19.0
95.08596	42.6
97.48141	13.7
105.07023	55.2
107.08578	22.7
109.06532	31.5
109.10149	16.1
111.08082	54.9
117.07018	36.0
119.08598	39.6
121.06567	22.2
121.10150	21.9
123.08046	27.8
129.07016	23.1
131.08583	43.5
133.10126	23.9
135.08057	28.3
143.08543	28.5
145.10103	31.0
151.07533	100.0
159.11667	19.0
189.12769	25.3
207.13800	36.4
273.18457	43.8
291.19504	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	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
52.12497	1.2
55.01869	3.2
55.05508	11.6
67.05499	9.4
68.21059	1.2
69.03426	2.3
69.07038	5.8
79.05489	7.5
81.07041	12.7
83.04955	2.2
83.08604	4.6
83.45116	1.2
91.05455	11.2
92.73431	1.2
93.07043	10.6
95.04967	4.1
95.08578	5.5
97.10165	7.3
98.37070	1.2
105.07037	8.2
106.11775	1.4
106.38549	1.5
106.83476	1.4
107.04932	4.2
107.08582	3.3
109.10161	1.7
117.07017	4.3
119.04913	3.6
119.08571	7.7
121.06480	3.3
121.10133	2.0
125.09625	2.7
129.07047	1.9
130.07759	1.4
131.08600	5.3
133.06506	4.1
143.08588	2.3
145.10141	4.0
147.04431	2.1
147.08035	5.6
151.03903	1.6
159.11621	1.6
175.32655	1.5
204.28165	1.6
223.13290	2.2
249.14818	2.1
273.18387	5.4
291.19507	100.0
292.20016	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	291.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12453	5.4
50.46239	4.2
55.05494	16.3
57.07069	7.0
67.05473	30.4
69.07053	11.5
79.05472	53.3
81.06612	6.9
81.07022	34.1
91.05469	29.2
93.07037	100.0
93.89722	5.8
95.04963	9.9
95.08579	32.4
105.07027	17.5
107.08589	45.0
109.10146	9.4
121.10149	30.1
133.10188	9.9
135.11699	35.6
142.26642	6.8
147.11630	9.4
149.13245	22.5
193.56772	7.1
239.38795	7.3
256.79767	6.9
291.23203	38.3
302.09241	6.9
308.78134	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	291.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34164	7.4
55.05497	41.1
57.03424	8.7
57.07060	16.0
63.13815	7.4
66.58949	7.7
67.05490	82.0
67.59384	8.8
68.26440	10.7
69.06734	7.9
69.07054	59.5
71.04979	22.8
79.05480	19.8
81.03388	9.1
81.07046	95.7
83.08608	39.7
85.06474	10.7
91.05460	16.2
92.83329	9.9
93.07040	29.4
95.08582	76.1
97.06499	18.0
97.10165	16.7
105.07097	9.6
107.08596	21.1
109.02892	8.4
109.10159	29.8
119.44083	10.3
121.10134	20.9
121.42941	9.3
123.11713	19.2
135.08035	10.5
135.11729	15.5
147.04362	12.5
203.37480	10.3
234.04878	10.2
237.22188	18.7
243.16238	8.9
253.22263	10.6
255.23210	38.5
291.12027	100.0
291.15665	27.5
291.19879	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	291.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34164	7.4
55.05497	41.1
57.03424	8.7
57.07060	16.0
63.13815	7.4
66.58949	7.7
67.05490	82.0
67.59384	8.8
68.26440	10.7
69.06734	7.9
69.07054	59.5
71.04979	22.8
79.05480	19.8
81.03388	9.1
81.07046	95.7
83.08608	39.7
85.06474	10.7
91.05460	16.2
92.83329	9.9
93.07040	29.4
95.08582	76.1
97.06499	18.0
97.10165	16.7
105.07097	9.6
107.08596	21.1
109.02892	8.4
109.10159	29.8
119.44083	10.3
121.10134	20.9
121.42941	9.3
123.11713	19.2
135.08035	10.5
135.11729	15.5
147.04362	12.5
203.37480	10.3
234.04878	10.2
237.22188	18.7
243.16238	8.9
253.22263	10.6
255.23210	38.5
291.12027	100.0
291.15665	27.5
291.19879	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	292.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.7
55.05495	6.2
56.02546	2.7
57.03399	2.6
58.99570	13.6
60.04515	10.3
60.20666	2.9
61.03008	2.4
61.77686	2.9
64.33257	2.4
67.05496	7.2
69.03436	3.8
69.07043	3.7
70.06574	8.1
71.08738	2.8
72.08130	5.2
76.02223	32.4
79.05461	7.2
81.07044	49.0
84.08121	4.8
85.02891	4.1
86.09688	4.8
86.99052	7.7
91.05473	5.8
93.07043	20.3
95.08599	53.1
99.08054	3.9
105.00101	14.6
107.04987	3.5
107.08575	7.3
109.06545	4.2
111.08083	13.4
122.02725	100.0
123.08054	33.7
125.06005	9.9
125.09643	5.5
132.08121	3.8
135.08044	8.1
139.03911	5.6
141.09081	31.3
144.08093	4.5
146.05997	8.1
153.09102	22.2
156.91498	3.1
166.32002	3.0
169.97354	3.5
171.10161	4.5
188.07005	17.9
205.09818	7.6
221.26129	3.0
266.58789	3.3
278.66443	3.6
292.12314	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	292.1293
Annotation	H-TRP-SER-OH
Peak:m/z	Relative Intensity
55.05533	2.9
56.96563	5.3
60.04516	49.4
62.83987	2.7
64.20764	2.5
70.02947	8.6
70.06586	33.7
72.08135	18.9
79.33901	3.4
81.07062	8.4
84.04518	5.1
84.08170	12.7
84.96037	3.9
85.04041	8.3
86.09740	10.1
87.05607	3.2
88.03984	3.9
93.07003	3.2
95.08624	12.7
98.98510	3.1
110.07201	9.4
115.05107	11.2
118.06507	15.7
122.02740	16.9
123.08078	6.1
125.06033	4.6
129.10275	4.8
130.06508	16.2
132.08073	24.2
141.09131	8.6
143.69868	3.2
144.08041	15.3
146.05986	54.8
158.08463	3.5
159.09181	15.7
170.06052	9.2
172.18837	3.7
184.04573	3.7
187.08678	5.5
188.07066	100.0
205.09697	52.3
246.12625	13.0
274.12622	9.2
292.12982	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	292.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36381	2.1
55.01856	9.1
55.05498	6.2
61.02922	33.3
61.65671	2.1
67.05492	7.3
67.90592	2.3
69.03410	3.3
71.04978	5.0
73.02908	6.1
74.98871	2.2
79.05487	5.4
81.07054	19.5
83.01350	2.9
83.04965	3.3
85.02905	7.7
91.03953	14.5
91.05459	6.5
93.07037	12.0
95.04969	4.9
95.08603	4.5
97.06525	3.4
105.07037	4.1
109.06508	8.4
111.08075	100.0
119.03396	3.6
121.06516	4.1
123.04410	4.2
123.08061	11.8
133.06519	2.9
137.05951	16.0
139.07494	6.3
147.08063	3.0
151.07541	6.0
155.06998	6.0
165.09142	8.2
167.06932	3.2
168.55948	2.5
169.08492	3.9
174.35587	2.7
175.07494	4.0
195.10188	5.2
211.09645	52.0
215.61093	3.0
229.08644	4.5
229.10721	22.9
239.09076	19.3
250.38730	2.9
257.10175	99.3
257.12900	4.7
257.88940	3.3
269.29105	3.0
274.12961	6.3
307.38940	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	292.1905
Annotation	Dendroxine
Peak:m/z	Relative Intensity
50.38696	1.6
52.80781	2.2
55.05496	2.7
57.07071	12.8
57.76618	1.8
58.68238	1.6
60.04514	18.4
60.08447	1.8
67.05500	6.1
69.56535	1.9
79.05491	6.6
81.07053	9.1
83.04951	2.7
85.06529	8.6
91.05464	7.9
93.07038	3.3
95.04971	5.2
95.08598	5.4
105.07029	4.8
107.04941	3.5
109.06439	2.1
117.06996	2.7
119.04926	3.9
129.06993	2.7
131.08577	10.4
134.00534	2.6
136.31174	2.3
137.09612	8.4
149.09592	3.3
151.11177	3.0
155.08437	3.5
159.08104	4.1
177.12677	3.0
179.37761	2.7
189.12656	4.0
205.15877	4.5
210.57822	2.6
215.14282	18.0
232.16922	20.8
233.15367	7.5
292.19061	100.0
292.22382	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	292.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32498	2.2
55.05499	2.5
56.05015	10.3
59.47567	2.0
60.04517	100.0
67.05496	13.8
69.07072	4.7
70.06577	12.0
71.04943	2.8
74.06066	5.9
74.06827	2.5
79.05470	7.8
81.07027	21.2
84.04480	2.6
84.08135	4.5
89.19660	2.1
91.05473	13.4
93.07039	13.4
95.04950	2.7
95.08596	12.0
97.06524	2.9
105.07037	4.6
107.08602	9.8
109.10127	2.7
118.06535	11.4
119.08590	8.2
121.10133	4.5
123.08050	3.3
131.08569	4.8
133.10112	2.7
134.08133	4.1
162.91582	2.3
200.18820	2.6
226.17885	3.4
238.18033	11.8
256.19058	14.4
272.89932	3.1
274.20160	27.4
292.21173	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	293.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	100.0
58.61275	36.5
78.69056	38.3
79.34984	46.1
95.40099	34.0
98.97594	49.9
104.69893	38.4
123.49365	39.3
140.00227	39.7
145.90536	41.7
158.01199	65.2
179.21564	42.9
181.02762	41.4
199.81213	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	293.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
62.67033	11.6
85.75624	10.5
104.77927	10.3
108.15694	11.7
153.85249	11.8
170.65289	12.6
201.29402	12.1
229.72307	12.5
293.06332	100.0
293.67172	11.3
303.61105	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	293.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56324	15.8
60.31225	17.4
65.89700	17.6
68.09332	20.2
71.63219	20.5
95.65453	19.0
96.97590	18.0
109.23032	19.3
110.05650	17.5
118.08696	37.2
119.01944	45.3
175.12045	24.1
184.04544	34.4
275.06271	26.3
293.06308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14607	3.9
53.29979	3.9
56.96568	6.8
61.02929	5.9
69.03419	96.1
69.03766	5.1
71.64546	4.2
76.27104	4.7
78.31184	4.2
79.05518	6.5
83.04964	4.4
84.02301	4.3
85.02914	12.8
91.05506	13.5
103.05492	15.1
105.06992	24.4
115.05444	59.0
117.07067	6.4
119.04973	20.3
128.06219	5.6
129.07042	6.9
131.04974	22.2
133.06482	29.1
143.04926	61.1
145.06546	15.4
147.04410	74.0
155.08551	5.1
157.06573	12.3
159.04367	23.8
161.05952	39.2
165.07054	10.6
171.04385	78.7
171.05692	6.2
173.06026	21.2
175.03937	16.6
177.05504	28.0
183.08110	11.2
185.06091	19.2
187.03935	7.5
189.05434	100.0
197.06094	18.6
201.05490	7.1
211.07555	27.2
213.05473	30.7
239.07027	41.6
257.08237	6.1
267.90259	5.9
293.10294	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	293.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92260	1.9
53.00293	1.9
54.35432	1.8
55.01863	4.3
55.05493	3.6
56.96579	2.7
57.03412	3.9
57.07053	2.2
60.75690	1.9
61.02907	4.0
65.03974	2.1
69.03419	90.7
69.07069	2.3
71.04988	6.6
79.05488	5.3
80.93377	1.8
83.04956	5.2
85.02904	9.8
89.03900	2.6
91.05465	16.6
95.04980	5.4
102.83581	2.0
103.05441	20.4
105.07018	21.7
107.04945	8.6
111.04449	4.7
114.25575	2.1
115.05444	58.7
117.07001	6.6
119.04932	25.9
128.06227	7.9
129.05498	2.4
129.07034	7.1
129.80478	2.1
131.04927	32.8
133.06483	33.0
141.07024	7.9
143.04907	54.0
145.06480	17.8
147.04408	68.9
149.05946	3.0
152.06131	2.9
155.04941	3.6
155.06079	3.3
155.08580	5.8
157.06476	15.1
159.04430	22.3
161.05952	38.4
165.05644	3.4
165.06963	17.8
168.05705	3.1
169.06490	7.1
171.04385	75.3
173.05962	21.5
175.03932	16.0
177.05458	33.1
183.04407	5.7
183.08128	7.8
184.05241	2.8
184.07576	2.6
185.05937	18.2
187.03931	7.4
187.07565	6.3
189.05455	100.0
193.06583	3.2
197.05969	16.5
199.03859	4.0
200.07126	4.5
201.05467	9.0
211.07503	30.8
213.05444	26.6
215.07077	4.7
221.05922	3.1
239.06993	41.2
257.08026	8.0
263.69849	2.3
275.09103	5.3
293.10049	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	293.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19925	5.7
56.96553	15.6
57.03429	6.8
57.66973	5.0
60.11686	4.6
60.50496	5.3
69.03423	88.9
69.07036	8.0
71.08646	8.3
91.71632	13.5
91.72873	5.5
103.05467	20.2
105.07029	16.8
106.45318	6.3
115.05444	66.8
117.07015	11.4
119.04956	22.9
129.07053	8.7
130.70627	6.0
131.04922	21.8
133.06482	35.7
143.04906	52.9
145.06459	16.9
147.04384	57.1
153.06926	7.9
157.06505	24.3
159.04440	21.4
161.05989	38.7
165.06982	15.4
169.06573	10.7
171.04376	85.6
173.06018	30.9
175.03917	21.1
177.05444	38.4
183.04405	9.4
183.08009	12.5
185.06000	14.0
189.05443	100.0
197.06003	10.7
199.04015	6.9
201.05589	7.9
211.07600	26.9
213.05495	25.2
223.06975	6.3
225.75847	6.4
230.43767	7.1
239.07088	42.9
293.10138	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	293.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	4.8
53.81792	3.4
55.01857	5.3
56.96534	3.8
57.07059	4.7
58.40835	3.3
59.49940	3.9
64.91568	3.4
67.05492	9.4
71.04982	18.9
73.38927	3.8
79.05460	7.2
81.03412	11.5
81.07050	9.9
85.75774	4.2
88.07648	5.0
91.05473	12.7
95.04949	6.1
95.08596	12.2
103.85785	4.8
105.06985	11.7
109.02860	6.1
109.06463	3.9
115.05447	5.2
117.06996	6.8
123.08010	5.4
137.06010	10.5
145.06488	6.5
151.07526	100.0
170.36510	4.4
173.05923	21.6
184.04716	3.8
184.25436	4.9
185.22975	4.1
215.10597	29.9
233.11710	12.5
243.10146	20.5
247.13387	5.1
261.11267	19.9
275.12741	14.6
279.12256	9.0
292.27301	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03931	8.3
55.01863	18.3
55.05504	41.2
55.05714	5.5
55.42521	6.2
56.96555	32.7
63.55547	6.3
65.03881	9.3
67.05495	75.2
69.03429	14.8
69.07068	43.9
71.04956	9.1
79.05498	35.4
81.03420	20.1
81.07053	100.0
83.04983	10.4
83.08616	24.8
85.02882	8.5
85.06519	10.8
87.20229	6.5
91.05487	51.3
93.07033	56.8
95.04967	20.5
95.08607	45.4
97.02899	8.5
97.06512	21.9
97.10122	11.9
98.97570	12.1
105.07041	54.1
107.04955	11.1
107.08599	66.1
109.02975	6.6
109.06520	23.5
109.10149	20.7
111.08086	14.2
116.98550	8.1
117.06995	13.7
117.86681	6.4
119.08601	38.4
119.74702	7.0
121.06541	13.0
121.10136	24.1
123.08042	9.2
123.11694	11.4
125.09641	9.1
131.08563	19.3
133.06490	11.3
133.10139	21.4
135.11743	26.4
137.09570	8.5
143.08473	6.6
145.10147	26.2
147.11671	9.5
149.09615	18.5
149.13232	11.2
159.11761	20.5
161.13312	12.2
161.63911	6.8
163.11229	9.8
177.12759	8.4
239.17818	9.8
275.20026	98.7
293.11584	10.9
293.21091	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
55.01884	9.6
55.05500	43.3
55.83133	6.4
56.96564	12.0
57.07067	16.2
67.05498	80.8
67.05792	9.0
69.07079	39.1
71.05016	22.0
79.05489	49.6
80.80534	8.4
81.07043	100.0
83.04958	10.2
83.08628	12.2
91.05484	44.6
93.07046	52.5
95.08604	58.5
97.06565	15.1
97.10189	9.2
105.07063	28.3
107.08617	23.8
109.06504	10.1
109.10195	27.7
119.08601	17.9
121.10204	37.2
123.08057	10.1
129.07747	8.5
131.08612	19.4
133.10178	20.9
135.11703	14.1
145.10187	12.5
149.09598	13.0
152.50046	8.9
153.09262	12.4
159.11690	10.9
163.11168	10.0
257.18994	12.7
275.19955	49.9
293.21115	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	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.40702	1.3
55.05494	4.5
56.96542	1.4
57.07072	8.3
67.05481	5.1
69.07040	4.4
79.05463	4.5
81.03406	2.0
81.07050	11.0
83.04942	3.1
83.08626	1.7
91.05470	4.8
93.07014	5.7
94.21648	1.9
95.04940	9.0
95.08577	4.6
98.98445	2.0
99.08040	1.5
105.06985	3.0
107.04942	7.3
108.05712	1.9
109.06523	3.0
110.18624	1.5
111.04411	2.4
121.06522	9.4
125.91824	1.8
131.08539	3.0
133.10144	2.5
135.08101	1.7
145.10162	2.0
147.04494	2.1
153.05434	3.2
157.74930	1.7
163.11127	2.2
164.11963	3.0
177.12816	2.1
181.04941	4.1
191.10658	4.5
209.11754	6.1
237.11212	13.8
275.20108	3.1
293.21075	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01881	19.1
55.05513	32.0
56.96568	36.3
59.90016	9.0
65.03951	10.4
67.05504	100.0
69.03453	12.2
69.07054	66.8
79.05504	35.8
81.03412	10.2
81.07053	93.4
83.04990	12.0
83.08618	28.0
91.04950	13.2
91.05455	59.1
93.07040	66.6
95.04980	22.1
95.08611	69.8
97.06529	20.8
98.97606	12.9
105.07037	62.5
107.04949	19.9
107.08638	39.4
109.06518	13.1
109.10191	32.6
111.08118	22.3
117.07015	23.5
118.85503	10.7
119.08611	45.2
121.06530	15.6
121.10172	39.1
123.08032	12.1
123.11748	12.1
125.09653	16.2
125.25957	11.0
129.07065	13.1
131.08574	30.0
133.10172	35.8
135.08078	14.9
135.11676	23.8
143.08507	11.2
145.10207	29.9
147.11740	20.3
159.11723	30.2
163.11197	17.8
171.58531	10.6
181.02919	12.6
194.17714	12.1
197.13530	11.1
227.90344	10.8
253.06453	11.1
257.18896	21.0
275.20041	92.2
293.17667	19.5
293.21164	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	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.70018	3.1
55.01855	3.8
55.05492	14.0
57.03442	20.1
57.89283	3.5
67.05499	37.1
69.07066	12.4
79.05482	29.4
81.07049	94.6
83.08605	6.6
85.06524	7.2
89.57973	3.7
91.05473	40.2
93.07038	40.1
95.04967	12.2
95.08591	28.0
95.82607	3.7
105.07021	29.6
105.07597	3.5
107.04968	6.2
107.08604	19.6
109.06507	28.1
109.10130	10.2
112.02975	4.2
117.06994	8.5
118.90445	4.1
119.08597	23.3
121.10141	7.9
123.08115	4.6
131.08577	14.3
133.10150	14.8
135.11736	5.4
137.09637	6.2
137.22198	4.5
145.10147	6.8
147.11713	6.7
149.09598	7.9
159.11697	5.8
160.13274	4.7
160.16447	4.2
161.87338	4.1
185.13309	6.0
203.14368	4.8
219.17444	100.0
230.60402	4.2
275.19986	24.0
293.21127	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01849	5.3
55.05505	18.6
56.96553	8.2
57.07064	4.9
57.63026	2.9
67.05492	53.7
69.07046	15.3
79.05479	34.1
81.01183	3.0
81.07043	52.5
83.08598	17.0
84.55854	3.4
84.87626	3.4
85.06517	4.2
91.05458	48.7
93.07043	41.2
94.81765	3.3
95.04961	10.4
95.08592	32.8
97.06528	10.8
97.10171	8.0
104.20177	3.4
105.07027	27.2
107.04951	7.1
107.08578	18.8
109.06538	6.1
109.10176	10.2
109.76332	3.6
117.07011	15.3
119.08585	24.9
121.06506	9.1
121.10121	20.7
123.08067	10.6
125.09602	3.7
129.07005	7.5
130.51939	4.7
131.08568	20.6
133.10117	29.3
135.08054	16.7
135.11711	9.3
137.09686	3.5
145.10143	19.1
147.11679	15.1
149.09569	17.8
149.13205	4.9
159.11685	7.5
160.92531	4.8
161.13237	5.3
163.11111	18.3
171.11728	7.3
173.13243	7.6
177.12939	4.8
195.98894	4.7
197.13304	3.9
225.65152	3.7
239.17876	5.3
255.72165	4.4
257.19098	13.0
266.08371	3.8
275.20029	100.0
293.21112	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03957	3.0
55.01867	3.2
55.05508	27.4
56.96564	5.0
62.03597	2.6
63.50612	3.0
65.03909	3.1
67.05493	21.4
68.82457	2.5
69.06001	3.7
69.07050	8.8
73.27981	2.6
79.05489	30.2
81.03384	3.1
81.07045	14.7
83.08598	12.8
89.07990	3.0
91.05467	29.8
93.07047	15.5
95.04955	6.1
95.08604	10.9
97.10146	16.2
105.07027	25.2
107.04939	4.5
107.08591	100.0
109.06509	5.1
109.10165	3.9
110.66575	3.0
117.07025	3.6
119.08570	12.2
121.10095	7.3
125.09623	16.9
131.08568	7.6
133.10117	15.6
145.10136	8.5
146.47691	3.0
147.11682	9.2
149.09583	8.3
159.11754	4.7
181.12198	3.7
189.11189	10.1
257.18887	5.6
275.20059	39.5
293.20938	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.64532	2.6
55.01860	5.7
55.05507	21.2
56.80105	2.8
56.96559	5.8
57.03420	3.4
57.04621	3.1
62.04755	2.8
64.18988	3.0
67.05495	49.7
69.07059	20.9
71.04969	9.0
71.19334	3.3
73.56499	3.0
79.05484	30.1
81.03425	7.0
81.07048	100.0
83.04973	4.0
83.08615	9.4
85.06529	4.1
87.37187	2.9
88.84824	3.2
90.51588	3.0
91.05454	31.1
91.11924	2.9
93.07042	29.2
95.04930	18.0
95.08592	27.9
97.06528	4.5
97.97778	3.5
105.07027	27.0
107.04948	5.5
107.08611	16.2
107.37912	3.1
109.06490	24.5
109.10143	14.6
111.08103	5.8
117.07001	9.0
119.08566	28.7
121.06509	4.9
121.10142	14.8
123.08063	11.8
123.11707	7.3
131.08559	9.2
133.10117	14.8
133.15059	3.2
135.08051	7.2
135.11632	3.4
137.05978	13.8
137.09634	4.4
145.10118	9.5
147.11678	16.5
149.09651	8.1
159.11691	6.3
163.11157	5.1
245.44748	3.9
257.19043	8.7
275.20053	37.0
293.21002	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
52.34655	3.0
53.03944	4.1
55.01876	10.1
55.05505	20.5
56.96564	13.0
57.03436	3.2
57.24851	3.7
67.05492	54.1
69.07081	14.6
71.04987	6.6
76.96500	3.7
79.05502	18.1
81.03410	5.0
81.07048	100.0
83.04998	5.4
83.08612	9.1
84.93707	4.0
91.05482	34.3
93.07018	30.6
95.04956	19.3
95.08609	32.8
97.06538	8.0
97.10147	3.9
105.07034	30.9
107.04967	30.6
107.08593	24.9
109.06513	20.0
109.10121	29.8
111.08122	5.9
117.07069	11.9
119.08595	31.3
121.10201	11.5
123.08092	9.2
131.08606	10.4
133.10110	22.8
135.11740	7.8
137.09665	4.2
145.10165	12.0
147.04439	5.4
147.11742	11.7
149.13298	6.4
159.11729	5.1
161.13258	5.1
163.11301	6.6
172.02922	8.8
191.14189	5.1
213.05647	4.5
230.06282	4.6
266.39688	4.1
275.20071	49.4
293.21152	22.7
314.71939	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	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.87399	4.3
54.61499	4.2
55.01879	6.5
55.05497	16.1
67.05489	46.5
69.03409	5.3
69.07058	23.9
74.06789	4.8
79.05485	22.9
81.07043	42.3
81.43394	5.0
83.04964	6.8
83.08634	8.1
91.05477	26.1
91.17993	5.2
93.07028	24.6
94.00174	4.4
94.15064	4.8
95.04964	11.7
95.08607	31.1
104.80085	4.9
105.07030	22.7
107.04940	7.1
107.08602	13.8
109.06522	11.0
109.10162	6.7
111.77731	5.0
113.63183	4.7
119.08569	10.8
121.06532	13.5
121.10157	12.2
127.80763	6.1
131.08562	18.7
133.10130	19.0
145.10098	10.8
147.11694	9.3
151.11182	7.2
163.11188	8.0
170.64323	5.8
172.18825	5.9
204.81404	6.3
223.68576	6.4
257.18985	15.9
267.63345	6.5
275.20038	100.0
293.21194	30.4
302.05722	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	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03938	29.0
55.01860	22.9
55.05497	20.4
58.19970	5.2
59.80674	5.3
60.53959	4.7
67.05493	65.3
69.07064	41.3
69.60713	5.0
79.05471	37.2
81.03416	65.2
81.07046	100.0
83.04961	9.9
83.08595	11.3
91.05479	64.4
91.71767	6.7
93.07037	49.7
95.01339	7.9
95.04964	21.0
95.08598	45.7
97.06526	23.5
105.07024	96.7
107.04953	22.8
107.08595	17.0
108.08265	5.5
109.06526	9.0
109.10139	8.2
117.07036	18.1
119.08580	37.9
121.06464	6.7
121.10194	9.0
123.08075	12.8
126.80137	5.1
131.08575	23.2
133.10126	51.6
135.11722	14.7
140.29318	6.1
141.88091	6.4
145.10091	13.6
147.11705	16.2
149.13185	7.7
157.10155	6.6
159.11746	14.8
163.11168	6.7
179.14322	12.7
187.11247	11.6
208.02197	6.2
275.20081	56.0
293.21021	18.9
304.04993	8.6
309.70566	7.7
311.79880	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01865	8.8
55.05504	44.4
57.03419	7.8
57.07078	9.8
64.64453	5.5
67.05492	47.9
69.07065	23.4
79.05481	27.9
81.03419	11.5
81.07049	44.2
83.04969	14.0
83.08637	17.7
88.44766	6.5
91.05479	41.7
93.07031	30.7
95.04958	100.0
95.08607	29.1
97.06498	7.8
97.10184	11.6
105.07015	25.9
107.04973	12.8
107.08580	41.0
109.06522	8.6
109.10100	7.0
111.08098	7.1
117.07008	9.0
119.08559	23.7
121.06568	8.9
121.10152	9.7
123.08076	9.4
125.09649	12.0
129.07043	8.6
131.08612	9.7
133.10112	13.0
135.08089	14.3
135.11710	10.0
149.09593	18.1
159.11610	8.2
161.13361	7.4
163.11206	21.5
190.15250	8.3
219.17365	14.3
223.13342	29.3
232.42447	7.0
235.77376	8.2
257.19092	10.6
264.99246	8.0
275.19986	57.4
280.68420	7.7
293.21014	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	293.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42770	2.8
55.05487	8.5
59.04790	3.2
59.04997	33.6
62.62507	2.8
67.05489	6.2
69.07056	5.0
81.07054	10.8
83.08614	14.3
89.77676	3.4
91.05476	7.6
91.71722	4.5
93.07034	9.0
95.04966	8.4
95.08600	10.7
101.67619	3.5
105.07008	9.0
107.08595	7.6
109.06511	7.5
111.08083	4.6
117.07022	4.3
119.08561	10.9
121.10161	5.0
123.08071	12.7
125.33263	3.5
131.08559	4.6
133.10117	5.4
135.08046	5.4
145.10179	7.0
156.40527	3.7
157.10124	4.0
159.11581	5.0
161.09650	7.5
163.11235	19.8
171.11708	3.7
175.11208	4.9
175.14819	5.2
184.96161	3.9
217.15956	10.9
235.16907	100.0
293.21030	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2836
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
54.71238	4.9
55.05502	52.9
57.07059	28.3
67.05500	75.0
68.45761	6.0
69.07063	86.6
71.04970	8.2
71.08627	18.6
79.05489	13.2
81.07049	100.0
83.08620	56.5
91.05416	6.7
93.07033	28.7
94.08911	6.6
95.08598	88.8
95.09150	7.1
97.06549	8.1
97.10162	42.2
98.42105	6.1
107.08579	11.3
109.10168	41.4
111.11693	16.5
112.61937	6.0
121.10147	30.7
123.11723	21.4
123.79765	5.7
135.11687	14.9
137.13258	11.8
139.70433	6.8
207.99910	7.0
275.27451	20.4
281.70786	8.1
293.28320	94.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1448
Annotation	Gln Phe
Peak:m/z	Relative Intensity
52.63162	2.0
56.05037	10.3
56.96556	3.6
56.97041	1.8
62.06046	4.3
69.03417	3.0
69.07050	1.7
70.06577	8.1
72.08135	4.1
83.06099	64.3
84.04498	78.3
84.08126	6.1
85.02880	4.8
85.81094	2.1
86.09708	11.9
93.07031	2.4
101.07136	8.8
103.05441	4.4
120.08100	100.0
129.10219	5.7
131.04971	2.5
133.45877	2.1
140.00183	2.5
166.08615	35.6
167.20589	2.1
186.09129	3.2
195.80328	2.4
200.04288	2.5
230.12979	4.3
231.11333	18.9
276.13416	49.3
276.16318	3.8
277.11819	20.4
294.14285	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1812
Annotation	Lysylphenylalanine
Peak:m/z	Relative Intensity
53.43335	0.5
55.05492	0.7
56.05040	2.8
62.14092	0.6
67.05488	1.5
70.06578	1.9
72.08148	2.1
81.07050	1.1
84.04067	0.9
84.04507	8.0
84.08136	100.0
85.02869	1.1
86.09697	2.6
88.03989	0.8
88.55134	0.7
91.05453	0.6
93.07069	0.7
96.04460	0.6
100.94486	0.6
101.07159	1.3
101.10768	2.2
103.05459	1.4
106.06541	1.1
110.07147	0.7
112.07597	0.6
120.08105	17.8
129.10240	12.6
130.05005	5.5
130.08672	2.0
131.04918	1.0
147.07648	4.8
147.11292	2.7
156.72119	0.6
166.08681	0.8
169.50427	0.6
193.87297	0.8
258.13336	0.8
276.14267	1.2
277.12161	0.7
277.15445	3.2
294.14743	0.8
294.18106	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	294.2063
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
57.07052	0.9
62.30814	0.3
65.03934	0.3
66.04707	0.7
67.05480	0.7
71.08605	0.4
79.05483	0.5
81.07047	1.9
84.25831	0.3
85.41461	0.3
91.05413	0.5
93.85677	0.3
94.04183	3.5
107.04971	0.4
122.03630	7.4
123.11692	1.4
137.05971	100.0
138.06343	0.5
158.15373	1.0
170.15402	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	294.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82840	0.4
57.07057	0.8
63.63005	0.4
64.11552	0.5
70.87521	0.5
71.08611	1.9
77.43124	0.5
79.05410	0.5
81.07052	0.7
91.05491	0.5
94.04179	3.1
98.20345	0.4
102.92066	0.5
107.04871	0.5
122.03640	7.8
137.05969	100.0
138.06345	0.7
141.12750	1.9
158.15393	1.3
170.15414	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2427
Annotation	Lanyuamide I
Peak:m/z	Relative Intensity
55.05505	11.9
56.05016	9.3
57.07042	1.6
58.40517	1.8
65.64932	1.8
67.05492	22.6
69.07043	7.7
70.06570	2.4
75.12265	1.8
79.05463	5.0
81.03396	9.5
81.07052	14.7
83.08585	2.0
84.04475	7.0
93.07027	4.6
95.04974	3.4
95.08611	12.9
96.04482	4.4
97.10203	2.0
102.45860	1.8
105.07034	2.1
107.01380	2.0
107.08550	2.7
116.98589	1.9
121.10100	1.9
122.51542	2.0
131.28790	2.0
133.20311	2.1
238.38176	2.2
250.04414	2.3
276.23178	3.6
277.21515	2.9
294.24261	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95056	1.2
59.36882	1.1
60.77670	1.2
67.62495	1.3
69.03428	3.6
69.31572	1.4
71.04989	1.7
77.38421	1.3
81.03410	5.8
84.08164	1.5
91.71609	2.5
93.72458	1.5
99.04449	2.4
101.00907	4.4
109.02867	5.1
119.01921	22.5
124.02473	4.6
131.01817	1.9
133.03461	3.5
137.03008	3.8
138.04089	1.9
142.03482	18.7
143.01944	5.5
145.03452	3.3
156.05116	3.3
157.03398	12.1
160.04533	2.8
161.02940	11.8
165.05074	14.8
166.05435	2.2
175.04549	7.0
180.05006	8.2
184.04543	16.8
185.02951	5.8
187.04431	3.3
198.06085	10.9
199.04567	2.8
201.06081	1.6
208.04562	5.0
210.06084	2.9
224.07700	3.0
226.05594	4.9
240.07191	3.5
259.06580	3.6
277.07568	20.6
294.10266	2.2
295.08752	19.2
318.10324	100.0
319.10205	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69785	2.2
54.38739	2.4
55.30399	1.8
57.03429	2.6
59.53803	2.6
59.58852	1.9
69.03425	4.1
81.03419	6.4
85.02869	3.2
91.71655	3.9
99.04462	5.5
101.00880	5.2
107.56421	2.3
109.02862	10.5
119.01919	30.3
124.02505	5.6
133.03464	3.0
137.02940	7.5
142.03482	19.0
143.01869	8.8
145.03490	3.9
147.03172	2.6
157.03450	20.1
161.02914	16.9
162.35286	2.4
165.05075	12.4
168.24706	2.3
168.35040	2.3
169.03549	2.4
170.49425	2.4
175.04550	10.3
180.05078	12.5
184.04536	18.9
185.02985	5.1
185.04861	3.3
187.04564	2.7
195.52617	2.7
198.06195	12.4
203.04039	4.5
208.04559	5.4
210.06056	3.0
224.07716	3.7
226.05579	6.9
245.04945	3.8
254.71111	2.5
259.06516	4.6
260.12860	2.8
277.07803	15.8
281.04193	2.7
292.01581	2.8
295.08832	27.3
308.53018	2.6
318.10345	100.0
319.10489	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77902	2.6
57.03421	13.0
66.33192	3.0
67.05495	5.9
69.03423	37.2
69.07054	4.1
73.02898	4.6
73.18040	3.1
79.05500	3.9
81.03409	6.0
81.07059	12.7
85.02902	22.7
87.04452	15.7
91.05458	11.8
95.04941	5.3
97.02884	19.0
99.04444	3.8
105.03397	6.0
110.53243	3.1
115.03891	19.2
119.04950	7.3
123.04415	4.4
133.04973	14.1
135.04411	100.0
135.05380	7.1
137.13193	3.9
145.05009	5.5
145.06451	9.5
145.77376	3.6
147.04381	30.4
173.06038	16.8
186.13853	3.7
189.07016	4.7
190.07722	7.9
191.08553	31.2
202.07811	4.8
219.08084	27.6
237.09111	11.9
245.74483	4.4
247.07466	8.6
249.09038	18.0
252.11848	4.0
263.32541	3.4
265.08502	10.3
266.00485	3.6
277.08682	10.8
295.09616	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	295.1021
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
54.28978	2.2
56.12819	2.3
57.03432	22.3
59.04983	7.1
64.95702	2.5
69.03420	100.0
71.01332	3.8
73.02892	3.6
73.32268	2.6
75.04475	2.5
80.04970	2.5
81.03399	7.5
82.06429	2.3
85.02888	55.0
87.04461	60.2
97.02870	67.5
98.06071	3.0
99.04420	5.4
103.03946	3.3
115.03922	60.1
125.75774	2.7
127.03938	4.6
133.04956	41.2
140.08978	2.9
145.04942	9.0
150.10143	3.0
150.56978	2.3
187.57346	2.9
301.92798	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55297	2.6
53.00286	3.3
54.82521	3.1
56.61945	3.1
57.03429	27.4
59.04983	8.2
69.03417	100.0
75.04457	5.0
78.78194	3.3
81.03400	9.0
85.02894	66.9
87.04457	60.4
90.42184	3.0
97.02881	64.0
99.40661	3.7
105.25746	3.1
115.03928	56.6
115.74431	4.1
119.80322	3.3
127.03843	4.5
133.04959	42.5
145.04947	6.9
293.23203	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	295.1021
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
51.47601	2.2
53.00300	3.3
56.96537	3.2
57.03426	25.9
59.04991	2.4
61.38665	2.3
67.05476	2.2
68.77423	2.7
69.03417	100.0
70.15633	2.6
73.02917	2.6
75.04473	5.7
79.05447	3.2
81.03398	12.8
83.04958	3.9
84.57820	2.8
85.02893	60.5
87.04458	53.1
95.08569	3.3
97.02878	50.5
99.04431	5.5
103.03912	4.5
115.03918	51.4
127.03930	6.9
131.04956	3.1
133.04958	40.5
139.03932	3.3
145.04962	13.1
151.03812	4.2
152.24837	3.7
169.04930	6.5
267.60999	3.6
277.09109	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	295.1026
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
51.46689	2.4
53.00289	2.9
53.03945	2.7
55.01841	4.5
56.21584	2.2
56.96547	11.0
57.03437	20.4
59.04985	2.9
61.02923	2.7
66.40182	2.5
67.05492	2.9
69.03423	100.0
71.04984	2.8
73.02904	5.2
75.04452	4.1
79.05482	5.0
81.03408	15.6
81.07042	6.6
84.49718	2.9
85.02898	57.8
87.04466	43.2
91.05499	6.3
95.04964	6.1
97.02881	54.9
97.32572	2.5
99.04461	7.9
103.03973	4.3
111.64780	3.0
115.03922	48.0
119.04922	7.1
123.04443	8.5
127.03928	11.8
130.86256	3.3
132.92627	3.0
133.04979	33.0
133.27179	2.9
135.04425	46.0
142.75235	2.8
145.04967	16.6
145.06526	5.1
147.04414	11.9
169.05019	6.6
173.05978	7.5
190.07872	4.5
191.08562	11.7
219.07993	14.0
237.08981	3.9
238.40199	3.1
247.07451	3.6
249.09094	7.0
265.08517	6.5
277.08881	10.5
277.76874	2.9
295.09677	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68777	0.7
57.04542	1.6
59.21505	0.5
69.03415	0.8
75.67246	0.6
77.68534	0.7
84.04491	4.2
94.04025	3.5
97.09474	0.6
103.05439	0.7
105.64111	0.7
120.08094	12.1
121.02832	0.9
123.06670	1.9
150.07738	100.0
160.92995	0.7
166.08597	3.5
231.63925	0.7
295.11487	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1289
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
56.05030	1.8
56.96538	0.8
57.03423	1.0
58.94192	0.7
59.14880	0.8
59.80828	0.9
70.06590	1.0
73.06551	3.0
79.05472	0.7
81.10267	1.0
84.04494	36.8
84.08125	4.9
85.02885	1.7
85.04034	0.9
86.09700	2.2
88.03979	1.7
91.05468	3.3
92.30736	0.9
93.07013	1.4
95.04949	1.4
102.05497	1.1
103.05453	8.7
107.04968	2.8
115.07545	1.0
119.04903	1.0
120.08098	100.0
121.06478	1.2
127.30270	0.8
128.90225	0.9
129.10210	2.3
130.04988	4.1
131.04953	5.1
136.07565	2.7
137.06000	1.6
149.06020	1.1
166.08626	34.6
172.25468	1.0
186.09068	6.2
221.02122	0.9
223.99323	1.0
232.09705	4.8
232.97928	1.0
269.85672	0.9
278.10281	2.6
295.12805	5.4
302.38028	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75393	1.9
57.81490	1.9
71.40071	2.0
85.02881	2.3
90.27557	2.3
102.18363	2.3
131.04945	2.2
179.08826	2.5
287.26785	2.9
295.15140	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82744	2.5
65.11353	2.8
69.03448	3.0
73.07026	3.8
91.71642	6.3
114.81144	3.3
118.53137	3.7
136.94174	3.3
152.15570	3.4
165.10973	4.0
205.82483	3.6
211.80597	4.3
257.77783	3.8
295.15125	100.0
311.72137	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	295.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07045	4.1
65.37251	3.6
81.06998	4.5
99.67906	3.9
136.07510	6.9
162.41838	5.1
202.65387	5.4
206.26675	5.9
227.54572	5.6
246.91313	4.9
295.15109	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72421	2.3
71.82945	2.7
79.69923	3.7
115.70930	3.1
133.94051	4.1
181.12312	5.4
202.21098	3.7
295.15134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	4.0
55.01857	4.9
55.05491	7.9
56.96548	6.4
57.03426	5.1
57.07063	5.0
64.41510	4.2
67.05481	12.5
69.03417	11.9
69.07067	7.5
71.01355	5.9
76.14289	4.6
81.03426	6.0
81.07043	8.6
84.88592	4.8
85.02888	12.1
93.07062	4.9
95.08629	13.1
96.87543	4.4
97.02885	19.8
99.90988	5.3
105.07034	6.1
107.08575	5.2
111.43722	5.5
136.15028	5.4
243.15033	6.3
292.96613	5.6
295.15063	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74955	3.0
74.54720	2.9
102.24731	3.3
103.58430	3.1
159.25888	3.7
184.05717	3.6
225.49707	3.7
295.15103	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1653
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
55.43223	0.6
62.52765	0.7
79.35543	0.8
84.08102	0.6
86.09708	6.2
91.05482	27.3
92.23220	0.7
109.06555	0.7
118.06541	1.5
119.04945	17.4
121.06514	1.5
132.10228	1.4
136.07584	100.0
150.15511	0.7
249.15881	0.8
278.13901	1.3
291.63898	0.9
295.08017	0.9
295.16605	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	295.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00319	1.2
53.03941	1.6
55.05503	47.8
57.07062	1.2
62.18095	1.1
63.99941	1.1
69.03419	7.6
69.07056	26.5
69.07420	1.4
74.51603	1.2
75.15347	0.9
80.32805	1.0
81.03437	1.3
85.02892	12.3
85.59137	0.9
87.04495	2.5
91.63947	0.9
96.51396	1.0
97.02919	4.4
97.10158	100.0
105.96256	1.1
115.03971	1.8
115.11195	62.5
133.05000	2.2
133.12259	3.3
138.37871	1.2
156.13870	4.4
206.39432	1.2
210.35521	1.1
222.86841	1.2
224.25415	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1901
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
52.62756	1.4
55.01864	6.8
55.05499	4.7
57.07065	1.9
61.29952	1.6
66.24664	1.4
67.05490	6.5
69.07038	2.4
78.86039	1.5
79.05482	4.5
81.07050	33.6
83.04970	1.9
91.05476	2.4
93.07038	4.9
95.08618	5.2
105.07047	4.0
107.08603	3.8
109.06501	14.8
111.04449	8.1
119.08589	2.2
121.10152	4.3
125.06021	5.0
128.74405	1.7
133.10109	3.3
135.11682	2.1
137.05971	100.0
141.28719	1.9
145.10172	2.8
147.08051	1.9
147.11673	3.2
149.09538	2.0
153.92914	1.9
161.09669	4.4
175.11234	4.3
203.17955	4.0
213.16354	2.7
231.17526	5.1
249.18475	6.6
273.83502	2.2
277.17938	28.1
295.19064	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	295.2266
Annotation	Colneleate
Peak:m/z	Relative Intensity
53.03934	15.9
54.59161	4.2
55.01856	15.0
55.05503	36.6
56.34256	4.7
57.07043	4.8
66.27321	4.8
67.05493	100.0
69.03401	10.9
69.07061	35.7
71.04969	8.7
71.08613	20.3
78.00910	4.7
79.05479	35.4
81.03421	37.9
81.07053	57.9
83.04964	24.7
83.08607	11.0
85.00426	5.7
85.06532	8.9
91.05463	31.2
93.07032	65.0
95.04965	29.4
95.08598	67.6
97.06513	10.5
97.10132	12.2
99.08086	7.5
105.07019	14.9
107.08611	29.4
109.06493	13.3
109.10166	36.8
111.11681	5.8
119.08572	16.0
121.10125	30.4
123.08104	6.1
129.07010	5.4
131.08583	6.4
133.10132	9.9
135.11690	15.7
137.09586	45.3
139.11153	10.5
147.11673	12.1
149.13295	12.4
151.11230	22.0
157.09975	6.1
161.13254	12.1
165.12621	9.6
186.54245	5.2
196.05701	6.0
249.22139	14.9
277.21622	78.8
295.22659	73.7
302.76697	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	295.2265
Annotation	Colneleic acid
Peak:m/z	Relative Intensity
53.03935	11.3
54.45074	4.9
55.01854	16.5
55.05501	44.3
57.07054	8.6
67.05499	89.7
67.92400	4.5
68.49906	4.7
69.03409	10.6
69.07052	50.5
70.37271	5.6
71.04975	8.4
71.08620	20.0
79.05488	42.3
81.03412	43.0
81.07044	56.0
83.04964	19.4
83.08603	11.6
89.61010	5.8
91.05466	34.6
93.07034	54.1
95.04951	39.1
95.08597	69.1
97.06509	14.0
97.10141	9.4
99.27253	5.2
105.07021	19.1
107.08602	34.6
109.06527	9.4
109.10157	39.3
117.06992	6.3
119.08597	24.2
121.10139	24.9
123.08111	5.7
123.11719	9.8
131.08629	6.4
133.10150	8.0
135.11826	6.5
137.09605	42.4
147.11684	9.3
149.13248	6.8
151.11189	20.5
155.82475	5.3
160.91229	5.8
161.13246	9.2
163.14775	6.1
171.11649	6.0
173.13284	5.5
175.14792	8.7
221.15359	7.1
249.22218	16.6
263.24359	6.9
277.21658	100.0
295.22681	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	Colneleate
Peak:m/z	Relative Intensity
53.03931	16.1
55.01858	18.7
55.05501	43.5
57.03410	6.6
57.07053	13.2
67.05499	100.0
69.03407	11.5
69.07050	36.5
71.08614	26.7
72.52807	6.5
79.05478	36.2
81.03405	36.6
81.07043	67.3
83.04942	13.9
83.08613	11.2
85.06474	8.6
91.05475	33.2
91.71650	15.0
93.07037	56.3
95.04950	42.2
95.08602	77.2
97.06503	11.4
99.08099	10.4
101.28398	8.6
102.62300	7.6
105.07044	19.8
107.08614	28.3
109.10136	20.9
117.74160	8.3
119.08599	27.1
121.10156	32.6
133.10121	11.1
135.11635	14.4
137.09581	50.8
139.11226	9.4
147.11693	9.0
151.11191	15.5
173.32475	9.3
181.12328	11.5
249.22052	24.1
277.21591	93.8
295.22821	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.45292	3.4
51.04648	2.5
51.74501	2.8
51.78417	2.8
53.00289	4.8
54.66735	3.1
55.01865	4.2
55.05506	18.3
57.03444	3.3
67.05500	53.4
69.07063	18.2
71.04973	4.8
71.08624	58.4
79.05489	44.3
81.03419	5.9
81.07053	58.2
83.04961	13.0
83.08604	14.9
87.35005	3.6
87.41361	3.5
91.05467	32.0
91.08030	3.8
93.07040	71.8
95.04961	11.0
95.08601	41.4
97.06532	12.4
97.10135	4.0
99.08097	26.9
103.61839	3.9
105.07044	20.2
107.04952	7.6
107.08592	31.4
109.10140	12.0
117.06978	4.9
119.08569	14.1
121.10133	32.0
131.08524	5.7
133.10107	7.9
135.11694	37.4
137.09636	7.3
139.57829	4.4
147.11841	4.0
149.13269	12.8
151.11176	18.3
153.12762	4.4
161.13281	10.1
177.12726	6.5
179.14307	100.0
216.76262	3.9
259.20490	5.3
267.24432	3.9
277.21658	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	295.2266
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
52.13242	6.1
53.03931	23.7
55.01858	13.9
55.05505	39.4
62.49642	6.5
67.05494	73.8
69.07068	62.2
71.08597	8.8
74.09270	6.6
75.73531	7.3
79.05481	31.2
81.03409	85.3
81.07053	67.9
83.04962	20.4
83.08599	19.0
91.05479	35.5
91.70968	9.2
93.07037	69.8
95.04970	44.9
95.08630	19.8
97.10172	9.0
105.07036	29.4
107.08594	37.3
109.06531	10.9
109.10161	17.8
119.08592	9.1
121.10163	12.9
123.11666	8.0
125.09616	8.2
133.10127	17.3
135.11734	18.7
136.51613	9.6
147.11639	10.7
151.11203	33.6
159.73019	8.3
163.14774	10.1
165.12747	8.4
277.21613	100.0
295.22647	12.2
312.65311	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	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.70609	6.7
53.03930	22.9
55.01865	8.4
55.05497	29.2
56.02919	7.5
57.07047	18.6
65.03231	7.6
67.05489	70.4
69.07056	61.5
71.08626	9.8
72.60854	8.9
77.97442	8.0
79.05481	33.2
80.33091	8.3
81.03408	94.4
81.07050	78.8
83.04960	23.9
83.08595	11.7
85.06501	10.0
91.05463	34.1
93.07040	49.3
95.04958	58.2
95.08595	36.0
97.10191	9.4
105.06994	43.8
107.08559	46.8
109.10179	14.7
119.08611	14.8
121.10136	12.3
125.09610	14.0
133.06497	11.1
133.10127	17.4
135.08060	31.3
135.11717	14.5
147.11691	14.6
149.13228	11.1
151.11188	30.8
161.13271	28.7
163.14819	9.4
277.21570	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	30.5
55.05259	4.8
55.05503	60.0
56.96552	26.3
57.03423	6.7
57.07059	12.3
60.04502	6.5
65.03857	4.9
67.05495	100.0
69.03422	13.6
69.07056	34.6
71.04990	10.9
71.08623	30.2
76.76103	4.1
79.05485	46.6
81.07047	99.6
83.04972	27.7
83.08607	40.9
85.06515	6.5
87.11288	5.0
91.05467	61.8
93.07030	60.0
95.04965	22.6
95.08589	71.6
97.06522	21.9
97.10155	15.4
99.08098	18.3
105.07011	32.1
107.08578	34.2
109.06516	9.2
109.10130	27.8
111.08047	29.4
117.06960	6.0
119.04927	13.6
119.08573	19.0
121.10154	21.1
123.08105	7.4
123.11731	11.1
125.09614	8.5
131.08583	14.9
133.10141	27.6
135.11694	18.4
139.11205	14.9
144.91568	5.4
147.04411	58.6
147.08176	6.2
147.11650	13.9
149.13228	12.1
151.11162	10.4
159.11710	7.3
161.13214	15.0
165.12781	9.1
172.02771	17.8
175.14897	6.4
196.35001	5.4
213.05670	6.9
259.20615	12.3
277.21545	58.0
295.22720	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	22.3
55.05503	40.2
56.96554	24.9
61.77265	14.9
65.25485	16.1
67.05489	76.8
69.07046	98.4
71.04965	19.3
71.53413	15.3
74.93832	15.3
77.21478	16.9
79.05466	31.5
81.07043	83.1
83.04989	25.6
83.08592	22.8
84.80100	20.8
86.27238	20.0
89.89899	18.3
91.05467	39.1
91.71116	27.3
93.07040	90.5
95.08583	100.0
97.06509	27.3
100.43571	18.1
105.07049	35.5
107.08595	26.3
109.10109	35.9
119.08568	26.4
121.10152	52.2
123.08078	49.6
126.28177	18.8
130.48260	18.5
133.10107	23.3
135.11687	49.6
153.12740	25.4
252.20139	20.9
277.21753	41.3
293.93524	22.2
295.22791	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	295.2266
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
55.01871	30.5
55.05259	4.8
55.05503	60.0
56.96552	26.3
57.03423	6.7
57.07059	12.3
60.04502	6.5
65.03857	4.9
67.05495	100.0
69.03422	13.6
69.07056	34.6
71.04990	10.9
71.08623	30.2
76.76103	4.1
79.05485	46.6
81.07047	99.6
83.04972	27.7
83.08607	40.9
85.06515	6.5
87.11288	5.0
91.05467	61.8
93.07030	60.0
95.04965	22.6
95.08589	71.6
97.06522	21.9
97.10155	15.4
99.08098	18.3
105.07011	32.1
107.08578	34.2
109.06516	9.2
109.10130	27.8
111.08047	29.4
117.06960	6.0
119.04927	13.6
119.08573	19.0
121.10154	21.1
123.08105	7.4
123.11731	11.1
125.09614	8.5
131.08583	14.9
133.10141	27.6
135.11694	18.4
139.11205	14.9
144.91568	5.4
147.04411	58.6
147.08176	6.2
147.11650	13.9
149.13228	12.1
151.11162	10.4
159.11710	7.3
161.13214	15.0
165.12781	9.1
172.02771	17.8
175.14897	6.4
196.35001	5.4
213.05670	6.9
259.20615	12.3
277.21545	58.0
295.22720	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.23303	5.8
53.00293	9.1
54.32703	7.3
55.05500	19.7
56.96556	36.3
57.07060	10.0
63.21819	6.2
64.05165	6.3
65.03931	14.6
67.05494	52.9
69.07061	24.3
71.05005	11.5
71.08625	100.0
78.98359	7.0
79.05470	39.0
81.03392	9.8
81.07044	54.5
83.08618	18.0
84.29032	8.0
91.05476	33.9
92.11239	8.0
93.07034	55.2
94.68607	7.8
95.04953	14.0
95.08607	53.8
97.06527	8.9
99.08086	68.3
105.03386	15.1
105.07024	30.4
107.04950	15.4
107.08595	22.6
109.06500	9.1
109.10156	10.3
117.07016	9.7
119.08593	22.7
121.10134	23.8
129.07053	9.8
135.11691	15.5
137.05933	18.6
138.06322	15.5
145.10153	8.7
149.02367	21.1
151.10123	8.7
151.11191	61.7
161.13197	20.3
163.11226	21.8
165.62154	8.7
179.14326	16.0
204.98021	12.7
240.55345	9.4
241.19701	11.7
275.06235	12.9
277.21594	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	295.2267
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
55.01859	22.3
55.05503	40.2
56.96554	24.9
61.77265	14.9
65.25485	16.1
67.05489	76.8
69.07046	98.4
71.04965	19.3
71.53413	15.3
74.93832	15.3
77.21478	16.9
79.05466	31.5
81.07043	83.1
83.04989	25.6
83.08592	22.8
84.80100	20.8
86.27238	20.0
89.89899	18.3
91.05467	39.1
91.71116	27.3
93.07040	90.5
95.08583	100.0
97.06509	27.3
100.43571	18.1
105.07049	35.5
107.08595	26.3
109.10109	35.9
119.08568	26.4
121.10152	52.2
123.08078	49.6
126.28177	18.8
130.48260	18.5
133.10107	23.3
135.11687	49.6
153.12740	25.4
252.20139	20.9
277.21753	41.3
293.93524	22.2
295.22791	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	295.263
Annotation	6-Nonadecynoic acid
Peak:m/z	Relative Intensity
57.07061	18.8
67.05486	62.1
69.07071	31.8
72.57504	20.0
75.08585	18.8
79.05486	26.2
81.07053	96.9
85.36031	20.7
91.05490	60.3
93.07051	30.7
95.04996	30.5
95.08633	50.8
97.06509	39.0
104.25347	20.2
107.08559	17.9
109.06524	76.3
109.63630	19.5
113.00375	18.3
119.08640	19.3
123.08111	32.1
137.09454	27.5
150.75714	25.6
241.49110	22.5
248.09135	23.2
277.25256	42.6
295.26340	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	21.9
56.41061	3.0
57.07079	3.0
59.05000	12.5
67.05499	69.6
67.05832	5.6
69.07071	23.0
71.04983	19.2
79.05476	22.4
80.15552	3.3
81.07044	100.0
83.04986	3.5
83.08634	15.6
84.20450	3.7
85.06539	4.5
89.03844	3.4
91.05499	5.8
91.71332	7.3
93.07039	28.8
95.08595	78.6
95.09129	4.7
96.38519	3.7
97.10195	12.7
98.41303	3.5
99.08145	3.6
105.07057	9.7
107.08591	19.8
109.10159	32.5
121.10134	17.8
123.11749	11.2
133.10150	4.1
135.11681	23.0
137.06021	16.7
137.13377	5.0
147.11714	4.7
149.13284	12.5
177.16429	4.1
180.78929	3.5
194.62491	3.6
232.80063	3.9
263.36230	3.9
277.25406	5.7
295.26147	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	296.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50566	2.4
57.58994	2.4
60.08152	3.2
71.07339	2.3
71.15568	2.2
73.02896	4.5
81.03420	3.8
86.09697	25.2
104.10740	100.0
155.49078	2.6
172.58261	2.7
178.84714	2.7
210.34660	2.5
236.99269	20.0
296.06604	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	1.5
57.03405	1.5
60.04503	1.5
63.31453	1.3
70.19581	1.5
72.08171	1.7
74.00678	4.3
83.04973	5.1
84.04473	2.9
84.08138	2.5
85.02905	4.7
86.09718	1.8
87.98691	1.6
91.71799	1.4
93.03439	2.3
94.06580	1.8
95.04985	2.0
97.01140	1.8
102.05542	2.2
109.02878	2.8
111.04460	8.9
120.01147	11.7
122.06036	2.0
136.07597	4.2
139.03931	2.7
157.04939	1.8
162.05467	2.0
178.04994	64.8
206.04453	23.3
222.03961	100.0
232.06038	2.3
234.81873	1.7
248.05553	3.9
278.06714	5.8
279.05222	4.0
296.07635	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	296.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
73.85569	3.8
91.05510	9.5
100.29582	3.5
105.07027	51.9
107.04958	3.4
117.07069	5.7
119.04961	7.6
119.08618	12.7
129.07008	3.2
131.08539	17.1
133.06511	3.7
136.07542	3.6
144.05748	4.2
159.08072	17.3
171.98445	3.6
172.71669	3.7
176.65787	3.7
216.21689	3.9
243.74783	4.1
251.14276	100.0
277.58432	3.9
296.20007	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2582
Annotation	Tetrahydrobungeanool
Peak:m/z	Relative Intensity
53.00276	1.9
55.05512	11.5
55.86543	1.8
56.05025	6.7
57.07061	4.0
63.34328	1.8
67.05487	9.5
68.24489	1.8
69.07063	9.7
70.06569	2.5
79.05479	5.0
80.05025	2.4
81.03472	2.3
81.07052	12.5
82.02895	2.7
83.08628	3.6
84.04485	7.0
84.86594	1.8
93.07028	3.3
95.08595	7.9
96.04478	13.2
107.08588	3.4
110.06005	4.3
232.66664	2.4
272.53531	2.6
296.25815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	68.5
70.06595	15.9
72.17442	6.0
78.76997	6.5
81.07037	7.4
84.04526	14.6
84.08175	8.0
87.35560	6.2
91.05523	10.5
95.14254	5.8
97.99229	7.2
98.97585	76.3
116.98620	51.5
120.08157	19.5
121.08485	7.3
127.67245	8.3
134.99725	23.4
137.05972	49.2
140.00179	56.6
158.01328	25.9
160.16780	6.7
161.99831	7.7
179.00269	18.5
180.00861	13.5
181.02946	24.8
195.61613	6.5
197.01201	31.5
198.02014	55.4
199.76234	7.4
202.01830	9.6
203.02583	10.4
206.77823	7.4
213.04385	18.6
216.03169	9.2
220.02930	27.6
221.03572	34.6
234.04515	17.8
236.05997	19.3
236.28398	7.6
243.04439	16.3
244.05348	24.9
255.05460	26.1
258.03940	7.0
259.07642	20.9
263.04395	12.9
278.07056	77.6
286.06183	13.3
296.08179	19.8
297.06418	100.0
306.26834	7.9
315.07816	11.8
319.10028	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	297.0757
Annotation	4-Acetylchrysophanol
Peak:m/z	Relative Intensity
50.35007	3.8
53.00315	4.2
55.01884	4.9
55.05507	8.0
56.96576	9.9
57.07080	8.7
62.87527	3.6
67.05481	20.0
67.78242	4.1
69.07059	7.3
71.04984	4.9
77.10838	3.9
79.05501	4.9
81.07045	40.0
81.07394	3.4
85.06530	6.0
86.92036	3.6
91.05470	6.0
93.06564	4.0
93.07018	20.1
93.11079	3.8
95.08592	45.3
98.97624	8.0
105.07034	9.1
107.05006	12.5
107.08610	10.8
109.10195	18.6
111.04437	6.2
111.08117	5.8
119.08648	5.2
121.02862	32.8
121.10166	9.5
122.26659	4.2
123.11748	7.5
133.10190	4.9
135.11755	4.6
140.00182	5.0
147.11624	5.8
152.06235	8.6
153.07034	7.5
161.13414	6.8
163.03920	8.8
164.56548	3.8
169.06598	5.8
170.07321	18.5
175.03986	8.8
181.06410	20.2
182.07310	21.2
185.09630	5.8
195.08110	7.7
197.06035	5.7
198.06725	28.8
213.09090	69.9
226.06310	14.7
250.35588	4.6
269.08023	100.0
297.07718	19.9
297.11191	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	297.1081
Annotation	Aspartyltyrosine
Peak:m/z	Relative Intensity
55.05936	2.2
56.05018	3.5
56.96537	3.2
57.97840	2.3
63.00122	2.5
70.02943	9.5
70.06565	6.9
72.08147	5.7
74.06081	3.1
81.07036	7.0
84.04488	3.1
84.08129	9.5
85.02897	4.2
85.04020	36.7
85.65913	2.5
86.09674	3.5
88.03986	49.3
91.05477	23.6
92.70652	2.6
95.04963	6.5
95.06059	3.0
98.02426	4.7
98.97562	2.6
107.04938	18.0
109.02842	3.1
110.07162	5.9
119.04919	35.4
123.04430	41.6
129.10287	4.5
131.56558	2.8
135.06779	5.4
136.06424	5.2
136.07570	100.0
146.06035	13.2
147.04420	12.4
160.07619	6.2
165.05461	41.9
170.05905	3.6
180.29730	3.5
182.08112	40.5
188.07056	6.0
198.05524	5.0
206.08205	3.8
216.06528	17.4
233.09245	8.8
237.08685	6.9
244.92357	2.8
251.10236	31.2
251.66608	2.7
262.07068	17.6
263.88748	3.3
279.09729	6.5
296.88071	2.8
297.10837	7.6
297.14294	4.3
314.93585	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	297.112
Annotation	demethoxyegonol
Peak:m/z	Relative Intensity
55.01647	3.6
55.01867	37.3
56.96553	6.9
57.07059	5.3
62.97760	2.6
63.89918	2.8
69.03414	3.3
69.07063	3.7
79.05468	8.1
91.05488	13.5
95.04965	16.7
95.08627	4.8
103.05463	6.9
105.07043	4.4
107.04950	100.0
112.65100	3.4
119.04947	14.3
119.08575	4.0
121.02882	4.6
123.04397	16.4
131.04913	61.4
132.05698	14.6
133.06474	6.0
135.04382	18.9
135.94591	3.9
140.00247	4.6
141.72418	3.4
144.05717	3.9
145.06490	13.6
147.04382	17.7
157.06505	7.9
173.05963	6.6
185.05986	7.0
190.07779	4.2
191.08635	5.0
202.07806	8.5
203.08488	7.9
205.10133	7.0
206.07262	4.9
207.08105	5.9
215.08542	17.9
218.07367	8.5
219.08136	4.3
219.22792	3.5
221.09671	5.9
223.11241	4.4
231.08072	9.9
233.09660	17.4
234.06810	5.5
235.07518	6.2
249.09158	11.6
251.10593	3.6
261.09091	30.5
261.14948	4.3
267.10107	45.0
279.10126	56.2
297.11179	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	297.1265
Annotation	Met Phe
Peak:m/z	Relative Intensity
56.05029	78.7
61.01143	51.6
67.05489	2.4
67.42146	1.2
68.52657	1.3
69.03418	1.4
70.06556	1.6
72.08133	1.3
74.06060	4.4
84.08135	1.9
91.05468	4.2
104.05322	100.0
120.08090	24.5
131.04878	1.8
136.06198	2.1
137.06050	1.5
149.06047	1.6
149.72678	1.5
166.08620	11.5
175.08772	1.7
209.28665	1.8
219.01709	1.5
232.09692	2.0
240.61244	1.6
249.12297	4.5
251.12393	1.8
292.99408	1.6
297.12790	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	297.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	5.7
55.05500	17.8
56.96566	5.7
57.06025	5.3
62.98207	5.5
64.42327	6.3
67.05490	37.6
69.03412	15.1
70.06595	9.4
71.04994	6.0
79.05500	8.8
81.07042	13.2
83.04980	46.4
84.08128	7.1
85.06520	7.1
91.05461	22.1
93.03416	6.3
93.07015	14.5
95.04976	7.5
95.08581	14.6
97.02870	11.0
105.07025	18.7
107.04926	10.5
111.04438	100.0
114.77323	7.2
116.53330	7.4
117.07038	15.9
119.08596	7.3
120.23263	6.1
121.06509	18.5
123.08091	7.7
124.48267	6.1
128.06233	6.5
129.07056	13.5
131.08557	6.1
136.06229	15.0
139.03899	52.6
140.75047	6.8
141.06995	7.9
149.05986	7.5
159.11566	7.5
167.07033	9.3
169.08722	9.7
169.10127	21.1
179.08609	7.1
180.93500	6.3
187.11241	8.8
197.09656	27.9
205.08569	21.1
215.10715	21.5
225.09082	10.2
233.11774	13.0
243.10135	62.5
251.12737	9.2
261.11142	40.4
269.12393	7.4
279.12231	35.1
297.09393	80.8
297.12558	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	297.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	5.7
55.05500	17.8
56.96566	5.7
57.06025	5.3
62.98207	5.5
64.42327	6.3
67.05490	37.6
69.03412	15.1
70.06595	9.4
71.04994	6.0
79.05500	8.8
81.07042	13.2
83.04980	46.4
84.08128	7.1
85.06520	7.1
91.05461	22.1
93.03416	6.3
93.07015	14.5
95.04976	7.5
95.08581	14.6
97.02870	11.0
105.07025	18.7
107.04926	10.5
111.04438	100.0
114.77323	7.2
116.53330	7.4
117.07038	15.9
119.08596	7.3
120.23263	6.1
121.06509	18.5
123.08091	7.7
124.48267	6.1
128.06233	6.5
129.07056	13.5
131.08557	6.1
136.06229	15.0
139.03899	52.6
140.75047	6.8
141.06995	7.9
149.05986	7.5
159.11566	7.5
167.07033	9.3
169.08722	9.7
169.10127	21.1
179.08609	7.1
180.93500	6.3
187.11241	8.8
197.09656	27.9
205.08569	21.1
215.10715	21.5
225.09082	10.2
233.11774	13.0
243.10135	62.5
251.12737	9.2
261.11142	40.4
269.12393	7.4
279.12231	35.1
297.09393	80.8
297.12558	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	297.1332
Annotation	Anislactone B
Peak:m/z	Relative Intensity
55.01851	5.7
55.05500	17.8
56.96566	5.7
57.06025	5.3
62.98207	5.5
64.42327	6.3
67.05490	37.6
69.03412	15.1
70.06595	9.4
71.04994	6.0
79.05500	8.8
81.07042	13.2
83.04980	46.4
84.08128	7.1
85.06520	7.1
91.05461	22.1
93.03416	6.3
93.07015	14.5
95.04976	7.5
95.08581	14.6
97.02870	11.0
105.07025	18.7
107.04926	10.5
111.04438	100.0
114.77323	7.2
116.53330	7.4
117.07038	15.9
119.08596	7.3
120.23263	6.1
121.06509	18.5
123.08091	7.7
124.48267	6.1
128.06233	6.5
129.07056	13.5
131.08557	6.1
136.06229	15.0
139.03899	52.6
140.75047	6.8
141.06995	7.9
149.05986	7.5
159.11566	7.5
167.07033	9.3
169.08722	9.7
169.10127	21.1
179.08609	7.1
180.93500	6.3
187.11241	8.8
197.09656	27.9
205.08569	21.1
215.10715	21.5
225.09082	10.2
233.11774	13.0
243.10135	62.5
251.12737	9.2
261.11142	40.4
269.12393	7.4
279.12231	35.1
297.09393	80.8
297.12558	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	297.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	13.4
57.03425	21.6
57.07062	14.4
61.02908	19.4
62.03405	7.2
67.05498	46.4
69.03419	77.9
79.05486	36.1
81.03392	30.2
81.07048	43.4
83.04960	15.3
85.02898	82.5
91.05477	31.3
93.07033	100.0
95.04949	20.7
95.08611	10.9
97.02876	21.8
105.07025	24.6
107.08572	73.0
109.06496	11.9
109.10162	22.0
111.04432	20.2
117.07084	11.1
119.08570	12.1
121.10098	9.4
123.11709	21.8
126.18748	8.5
127.03944	21.5
131.08560	17.4
133.10149	25.9
133.31323	11.7
135.11679	67.7
137.85283	9.1
147.11673	15.5
172.96480	11.0
279.16061	10.7
297.16669	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	297.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78380	7.9
55.01877	17.3
57.03419	24.2
59.04984	10.8
64.45317	7.9
67.05488	54.8
69.03413	62.6
69.07045	23.3
71.04964	10.8
73.02914	16.4
74.28078	9.1
79.05472	40.7
81.03409	47.7
81.07050	67.2
83.04976	15.3
85.02892	78.1
91.05471	45.7
93.07043	81.2
95.04952	37.5
95.08609	30.1
97.02859	26.0
105.07008	100.0
107.08593	65.1
109.02812	13.2
109.06496	22.2
109.10164	50.1
111.04416	14.7
115.05500	11.2
117.06987	24.2
119.08556	66.1
121.06493	16.8
121.10146	89.6
123.04428	12.1
123.11719	18.6
127.03888	15.0
129.06973	12.2
130.13196	11.0
130.73854	9.3
131.08549	33.0
133.06427	14.1
133.10117	60.4
135.08022	14.1
135.11697	55.8
137.06050	11.3
137.09702	10.4
145.10123	25.9
147.11699	65.4
149.13280	26.6
157.10237	12.5
159.11679	33.2
161.13199	10.5
171.11691	17.2
175.11172	13.4
177.12738	17.5
187.11168	11.4
189.12833	17.8
213.61525	10.5
243.13947	14.6
261.14899	32.6
279.15985	19.2
297.11319	14.5
297.16907	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	297.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39896	8.0
55.01858	16.9
55.05474	12.2
55.98473	8.4
57.03413	17.4
59.11271	8.2
61.02891	12.3
66.58988	10.3
67.05487	30.8
69.03430	54.2
69.07063	12.9
73.02905	17.3
73.47152	10.1
79.05475	40.3
79.74337	9.4
81.03397	64.8
81.07047	58.0
82.21471	12.6
83.04970	18.7
85.02897	74.9
91.05474	52.1
93.07034	100.0
95.04937	23.9
95.08600	17.4
97.02873	32.4
99.04482	9.7
103.03916	13.3
103.08186	9.4
105.07021	84.4
106.60284	12.3
107.08592	80.2
109.10121	27.5
111.04427	26.1
117.07033	21.7
119.08581	69.7
119.43956	11.1
121.10143	34.0
123.04396	25.0
123.11725	17.8
127.03901	12.3
127.04832	9.7
128.06247	11.5
129.05495	11.0
129.07039	15.4
131.08578	29.6
133.06509	23.3
133.10114	51.6
135.11674	54.1
145.10107	41.8
147.08136	17.8
147.11723	30.6
149.09586	16.7
149.13197	15.0
151.11179	22.3
157.10089	18.7
159.11671	40.1
161.13287	23.3
171.11711	12.8
175.11234	17.0
177.12769	26.8
183.11743	10.6
194.97313	12.7
211.09460	14.8
243.13794	24.6
261.14862	36.6
279.15781	25.4
297.16910	23.8
315.01532	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	297.1847
Annotation	MF-EA 705beta
Peak:m/z	Relative Intensity
51.71682	3.3
54.36742	3.8
55.05502	7.8
57.12238	3.3
67.05487	5.9
69.03401	4.3
69.07044	4.6
69.18224	3.9
79.05461	7.3
81.07031	26.8
91.05453	22.0
93.07043	19.9
95.05035	3.9
95.08609	7.4
101.73520	4.5
102.16290	4.0
105.07018	19.0
107.08603	7.3
107.74526	4.5
109.06559	5.7
117.07018	6.6
117.81133	4.4
119.04974	6.2
119.08582	18.8
129.06973	9.4
131.08578	23.8
137.06004	13.5
141.06987	7.7
142.07765	5.0
143.08578	14.6
145.10167	9.9
155.08603	11.4
157.10091	8.5
159.11653	26.9
167.08510	8.2
169.10146	11.1
171.11754	5.3
173.13306	14.7
181.10126	15.1
182.10927	10.0
183.11745	9.6
193.59329	4.9
195.11743	18.9
197.13293	15.8
209.13190	8.3
211.11082	6.2
216.61240	5.3
218.32510	5.0
223.14778	13.3
241.12251	25.1
251.17867	21.7
253.19530	6.8
279.17435	44.0
297.07693	8.5
297.11081	8.3
297.18475	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2423
Annotation	9-Hode
Peak:m/z	Relative Intensity
52.30360	4.2
55.01851	6.2
55.05507	28.2
57.07048	7.7
63.62980	3.6
67.05494	77.9
69.07050	32.6
71.04981	7.4
79.05470	25.0
81.07047	100.0
83.08607	16.4
85.06525	8.6
91.05476	13.9
93.07033	35.7
95.08603	91.6
95.30459	5.0
97.06551	11.6
97.10188	11.6
98.97573	5.3
105.07030	8.8
106.52750	5.4
107.08582	20.3
109.10146	38.2
111.75626	4.7
121.10139	22.7
123.11706	12.2
125.15112	5.6
131.08586	10.1
135.11691	15.4
137.13234	8.9
145.10089	5.2
147.11720	5.6
151.14784	5.3
161.13177	7.1
165.12875	5.9
173.13300	9.7
176.08925	4.6
205.85272	5.6
243.20978	7.1
261.22122	22.5
279.23181	73.9
297.24170	11.5
310.85651	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	297.2422
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
50.92900	4.2
55.01873	9.2
55.05514	18.1
57.03428	6.8
57.07076	6.0
67.05495	86.4
67.05827	7.0
69.07071	19.1
79.05501	7.2
81.07046	100.0
81.07471	6.9
83.05014	8.1
83.08626	7.7
85.06590	5.5
85.10197	15.3
91.03931	5.3
91.05469	7.1
91.71603	8.7
93.07069	21.2
95.08598	81.8
97.10193	15.5
103.27379	5.6
107.08585	10.1
109.10143	61.5
110.55803	7.1
113.09657	7.5
119.04110	5.6
119.08660	8.6
121.10175	9.9
121.67326	6.1
123.11731	19.8
125.09686	6.9
130.29713	5.5
133.10196	7.4
133.90298	6.4
137.13307	10.5
138.36188	6.8
152.83463	5.3
165.12990	6.1
199.02498	7.2
279.23260	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	297.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86017	2.3
53.56795	2.4
53.93813	2.4
55.05505	23.1
56.96529	5.0
57.03434	2.9
57.07061	10.5
57.59673	2.6
67.05498	84.1
68.37449	2.6
69.07053	33.8
71.04980	8.9
73.27959	2.6
78.73585	2.7
79.05487	12.2
81.07047	100.0
83.08612	22.3
85.06525	20.0
91.05477	10.1
93.07036	15.8
95.04940	3.2
95.08599	96.2
97.10165	12.9
107.08586	14.6
109.10151	42.9
111.11757	3.5
119.04903	4.3
121.10119	18.6
123.11697	22.4
135.11679	13.4
137.13272	4.8
147.04364	16.8
149.13249	7.2
151.14859	3.7
154.10631	2.8
163.34167	3.3
184.01862	2.9
195.14224	2.8
250.52493	3.2
279.26804	7.1
297.27869	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	298.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	10.8
65.24826	4.2
67.05489	6.0
72.74303	3.8
79.80350	4.3
79.86525	4.2
83.04980	11.5
93.03399	15.8
95.04955	20.0
100.02489	4.9
101.00875	14.9
111.04417	6.9
113.85365	4.6
119.01912	75.1
121.02857	61.7
124.02484	10.0
130.42581	4.2
132.14484	5.0
137.02917	22.0
142.03494	60.0
160.04582	11.4
165.05084	43.8
183.06247	6.3
195.05128	7.4
197.02983	14.2
211.04466	10.1
215.03949	9.0
216.70374	5.8
220.04601	10.2
221.02972	15.6
234.06064	11.4
244.04547	22.7
257.05029	23.1
262.05652	13.0
275.06168	35.0
280.06555	33.0
298.07742	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0966
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
61.00894	0.5
61.01146	6.1
66.05715	0.5
73.81351	0.4
75.02692	3.3
76.44691	0.4
77.70939	0.5
97.02873	1.9
117.18327	0.6
119.03503	1.1
136.06180	100.0
145.03177	1.0
153.62129	0.5
163.04213	0.6
195.10332	0.5
298.09775	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	298.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72686	2.7
56.96548	3.3
57.03444	2.5
61.01131	7.8
65.03924	4.6
65.49848	2.4
67.05485	8.1
68.99791	5.5
69.03421	4.8
69.56503	2.7
70.06583	90.1
79.05508	5.1
83.04971	5.2
85.02896	10.2
91.05498	4.3
91.71587	4.0
93.03407	6.0
95.04964	15.1
96.64797	3.1
99.04448	6.5
103.03951	12.0
105.07030	26.4
107.04955	9.2
109.02859	3.6
110.06041	4.7
111.00813	3.7
121.02875	12.1
125.05983	34.4
127.03919	14.1
133.06505	13.0
135.04417	4.3
136.06172	96.7
138.05515	20.5
142.29588	3.1
146.51071	3.6
151.03958	7.9
151.07588	6.6
154.08650	8.0
156.06618	7.9
161.05981	6.2
163.03972	4.1
169.05020	9.4
173.30838	3.5
179.06998	19.0
179.74794	3.6
180.06604	7.5
193.05002	13.8
211.06082	10.5
229.07153	5.8
246.41351	3.6
280.12054	5.0
298.09579	5.8
298.12805	100.0
298.16064	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30582	2.8
56.96551	4.6
57.06803	7.3
57.07068	99.0
59.58560	2.8
67.05507	18.0
69.03416	3.1
69.07030	4.5
79.05463	3.3
81.07042	4.6
85.02897	6.4
85.06533	100.0
91.71104	4.0
93.07022	4.4
95.04956	24.3
95.08568	4.2
96.09451	3.1
97.02886	87.2
97.06496	6.9
98.97581	7.4
99.04469	3.9
107.04954	15.8
111.73035	2.9
113.06004	47.3
116.98658	5.2
118.33960	3.4
123.04411	18.4
123.08027	7.2
125.05987	85.0
133.06488	14.2
137.05991	12.9
139.07552	23.5
140.00160	5.1
141.05466	80.3
141.09160	10.3
147.74033	3.6
151.07512	5.3
158.01236	7.6
161.05939	10.3
173.96684	4.1
179.07021	11.5
189.12729	4.9
207.13759	4.3
223.45398	3.4
223.74928	4.1
227.41685	3.7
235.13263	27.8
245.11751	4.2
263.12595	18.8
281.13818	4.5
297.99191	9.1
315.99921	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	298.2738
Annotation	3-Ketosphingosine
Peak:m/z	Relative Intensity
55.05485	12.0
56.05014	3.2
60.04242	3.8
60.04517	57.9
67.05499	30.6
69.07037	8.9
70.06567	10.6
71.04950	3.1
75.38735	2.9
76.68404	2.5
79.05470	6.1
81.07048	25.7
83.08595	7.7
92.50928	2.7
93.06992	5.6
95.08612	28.5
109.10116	6.3
112.59467	2.9
151.55547	2.9
155.60680	3.1
177.89374	2.7
184.98465	2.9
209.42612	3.0
216.94174	2.6
250.25221	4.1
252.26779	5.5
254.24796	4.7
268.26266	4.4
276.59253	3.4
280.26321	32.5
298.27359	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2739
Annotation	3-Ketosphingosine
Peak:m/z	Relative Intensity
55.05503	5.9
56.05032	5.2
60.04519	96.1
61.41724	2.8
67.05500	23.0
69.07061	6.9
70.06578	10.7
81.07044	27.4
83.08610	9.5
93.07025	4.0
95.08589	27.9
109.10138	8.3
111.14125	3.6
120.80473	3.3
121.63618	3.5
139.37471	3.8
190.99969	3.6
216.73105	4.5
225.95564	4.1
238.35085	3.5
247.79535	3.4
249.43521	3.6
250.25194	7.8
252.26846	8.7
254.24651	7.4
280.26257	18.6
283.80200	4.5
286.15808	3.9
298.27380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2739
Annotation	3-Ketosphingosine
Peak:m/z	Relative Intensity
54.31347	3.2
55.05505	10.6
56.05028	5.3
56.96554	4.2
57.07061	5.9
59.17765	3.3
60.04517	69.7
63.65635	3.5
67.05495	25.9
67.13543	3.0
69.07058	7.9
70.06577	5.3
81.07051	32.2
83.08632	5.6
90.56860	3.5
93.07027	5.7
95.08601	30.9
97.10175	5.0
98.97565	7.3
107.08591	4.5
109.10128	13.5
109.67374	3.0
111.80845	3.3
116.98627	5.1
121.10110	4.8
123.11690	3.6
124.40324	3.6
136.06174	12.8
140.00179	4.8
189.84193	4.2
191.40483	3.9
245.52196	4.4
252.26872	10.9
268.26282	5.2
268.85507	3.9
280.26318	28.2
297.99039	6.3
298.27374	100.0
298.30756	6.5
308.99045	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	299.0913
Annotation	3'-Hydroxy-4',5'-dimethoxyflavone
Peak:m/z	Relative Intensity
56.96557	22.7
57.07056	2.6
61.37250	1.9
65.27194	2.2
67.05499	3.7
68.43049	2.8
69.76662	2.6
70.06569	3.2
80.32060	2.3
83.97621	11.1
84.08138	4.4
85.02888	3.9
86.09684	2.5
95.08577	3.1
97.02919	3.8
111.99609	2.5
128.00200	8.6
129.29716	2.5
136.06161	26.3
142.32310	2.5
146.01236	22.9
164.02299	33.1
169.02806	18.1
174.00764	7.7
180.08826	2.4
182.03268	6.3
187.03914	35.5
197.02359	9.4
205.04942	3.4
210.05511	17.5
218.07005	8.2
228.05482	4.3
241.08548	8.7
250.64636	2.8
251.07057	8.5
256.74142	3.6
258.06610	11.4
276.07483	24.0
299.09106	100.0
317.10345	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	299.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51656	1.9
50.66035	2.0
53.63226	1.7
55.24551	1.8
56.96537	3.4
57.07056	4.5
67.05467	2.3
69.03407	2.9
69.52026	1.7
70.06583	15.5
71.08598	2.1
72.08115	3.3
79.05458	2.2
81.07027	3.7
82.31096	1.9
83.04966	4.9
84.08130	4.2
85.02885	2.4
86.09692	6.3
95.04951	2.2
95.08575	2.6
99.93198	2.2
102.30530	2.4
103.20111	2.0
103.48425	2.0
106.18176	2.6
109.10147	2.9
110.07182	2.4
136.06194	2.9
136.07576	6.9
137.05919	4.4
137.42674	2.4
152.76862	2.5
217.11728	2.3
226.53180	2.5
299.10995	100.0
299.14496	4.8
308.85284	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1123
Annotation	Picein
Peak:m/z	Relative Intensity
56.62232	1.0
57.07064	1.5
65.08946	1.2
67.05496	1.6
69.03399	1.0
81.07040	1.9
90.55656	1.1
90.60618	1.4
94.04183	3.3
122.03610	8.7
132.82204	1.2
137.05968	100.0
160.87067	1.3
221.28906	1.3
247.24416	1.4
250.91920	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	299.2004
Annotation	Abieta-8,11,13,15-tetraen-18-oic acid
Peak:m/z	Relative Intensity
51.57155	3.5
55.05489	6.3
57.07069	4.7
67.05483	13.8
69.07054	11.2
79.05492	14.3
81.07049	44.3
83.08643	3.7
84.31543	3.9
89.77628	4.3
90.66766	4.4
91.05461	38.0
93.07019	28.3
95.04948	8.0
95.08598	32.3
97.10155	4.9
105.07036	33.9
107.08595	16.6
109.10159	14.6
116.06228	7.3
117.06984	21.2
119.08597	16.5
121.10162	7.2
128.06259	5.0
128.41183	4.1
129.07004	16.6
131.08553	100.0
133.10098	8.7
137.05966	14.1
141.18958	4.0
143.08574	10.7
145.10089	21.3
149.06044	6.2
155.08607	5.8
157.10167	11.0
159.11723	19.6
161.13274	25.1
169.10138	12.0
171.08014	5.4
171.11696	9.3
173.09581	5.8
173.13297	6.0
175.07556	6.6
175.14912	10.7
177.09116	10.2
185.13310	6.7
189.09007	6.1
197.13292	15.2
201.16420	4.7
205.12311	5.7
207.11813	5.8
211.14757	10.7
213.16351	11.5
221.13266	7.0
225.16479	6.7
237.75813	4.8
253.19423	31.1
263.17892	12.2
271.20410	6.1
281.19000	49.7
284.14746	4.7
299.20001	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2004
Annotation	Triptobenzene D
Peak:m/z	Relative Intensity
54.23331	2.2
55.05490	9.2
57.07050	4.2
66.26533	2.6
67.05503	20.8
67.59597	2.4
69.03407	2.5
69.07058	19.5
79.05473	12.5
81.07043	52.5
83.08585	5.4
85.68623	2.6
91.05473	28.4
93.07024	36.9
93.32922	2.5
95.04958	8.3
95.08601	31.9
105.04523	3.4
105.07028	41.0
107.08575	15.5
109.06493	6.1
109.10136	15.2
117.06990	20.1
119.04952	2.6
119.08575	24.9
121.06507	4.4
121.10136	8.8
123.11689	7.0
129.06996	12.9
131.08572	26.4
133.06453	3.0
133.10101	14.6
135.11679	6.1
137.05986	15.6
142.07864	3.1
143.08568	17.7
145.10075	18.8
147.11670	6.7
149.05968	9.3
149.13264	6.5
151.07527	7.4
155.08559	10.9
156.09303	4.7
157.10104	25.9
159.11678	21.1
161.06024	5.0
161.13219	26.9
163.14771	5.2
167.08522	3.7
169.10150	9.1
171.11697	9.5
173.06087	3.9
173.13319	7.9
175.07500	14.8
175.14813	18.6
176.92938	3.4
177.09109	10.1
183.11676	12.2
185.09554	4.3
185.13309	6.8
187.07462	4.9
187.14723	4.0
189.09074	9.4
191.10753	3.1
193.10095	3.2
197.09694	3.1
197.13231	18.6
199.11188	3.3
201.16243	4.6
203.10675	7.2
207.11696	9.6
211.14836	7.5
213.16417	12.8
215.10689	4.0
217.12282	6.2
221.13171	5.0
225.12714	4.7
225.16370	8.7
229.12245	6.1
231.47841	4.2
233.83199	2.9
237.12570	3.0
243.13820	5.4
246.24524	3.0
253.19460	31.0
263.17929	13.3
281.18967	87.8
299.20032	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2003
Annotation	Abieta-8,11,13,15-tetraen-18-oic acid
Peak:m/z	Relative Intensity
54.95370	4.0
55.05492	10.0
56.96558	4.9
57.07064	6.6
61.46566	3.7
64.63905	4.8
67.05492	30.3
68.00085	4.6
69.07047	16.3
79.05485	19.1
81.07044	49.9
91.05472	40.7
93.07023	31.7
95.04970	12.1
95.08606	51.2
97.10135	4.7
105.07022	34.0
107.08578	16.8
109.10172	16.6
113.55620	5.3
115.05437	6.4
117.07032	22.9
117.94218	4.1
119.08567	29.9
121.06511	7.3
121.10137	9.1
129.07028	16.1
131.08531	26.9
133.10123	12.0
135.11711	5.1
137.05968	29.3
141.07002	5.1
142.07762	7.4
143.08563	15.3
145.10127	23.0
149.05952	9.4
149.13239	7.9
150.96321	4.5
155.08516	11.1
157.10110	13.7
159.11700	20.4
161.05917	7.5
161.13263	32.4
169.10104	10.0
171.11720	9.6
173.13309	10.3
175.14787	14.0
183.11700	13.8
185.13295	7.7
189.09183	7.2
197.13260	20.6
203.10776	11.4
211.11319	8.1
213.16409	21.3
217.12271	18.4
225.12724	10.6
253.19420	33.1
263.17978	17.0
281.18970	76.6
298.30286	5.3
299.20026	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2002
Annotation	Abieta-8,11,13,15-tetraen-18-oic acid
Peak:m/z	Relative Intensity
55.05494	12.6
67.05482	24.7
67.52540	3.1
69.07056	13.3
71.66077	3.5
79.05481	23.3
81.01408	3.4
81.07041	52.8
83.08582	5.4
89.71736	4.0
91.05463	39.0
93.07043	34.3
95.04951	9.7
95.08596	19.1
105.07014	55.6
107.08593	22.3
109.06512	6.5
109.10155	8.7
115.05453	6.4
117.07021	16.2
119.08584	42.7
121.06529	11.8
121.10149	10.4
123.08067	7.0
128.06174	5.2
129.07013	18.2
131.08559	28.4
133.06465	6.4
133.10135	14.1
135.08028	5.5
135.11720	5.4
137.06010	4.5
138.39847	4.5
142.07819	4.5
143.08549	21.6
145.10147	26.5
147.11673	14.1
155.08525	19.1
157.10112	24.5
159.11694	21.6
161.09572	4.6
165.07051	5.0
167.08586	4.4
168.09282	4.9
169.10152	13.8
171.11699	11.9
173.13229	9.5
181.10165	6.9
183.11700	13.1
185.13316	7.8
187.11256	9.2
193.10129	5.2
197.13239	11.6
206.10849	5.9
207.11703	7.0
211.14732	9.6
213.16275	9.4
221.13167	6.8
225.12709	12.2
225.73587	4.4
249.44122	4.5
253.19458	19.0
263.17984	14.2
281.18948	34.3
299.20007	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2005
Annotation	Abieta-8,11,13,15-tetraen-18-oic acid
Peak:m/z	Relative Intensity
51.15603	3.9
55.05503	8.1
55.54701	3.1
56.21679	3.7
67.05498	24.3
67.11113	3.6
69.07058	18.2
79.05494	23.0
81.07046	49.6
91.05472	31.2
91.71738	4.7
93.07022	35.6
95.08573	26.1
98.97527	4.8
105.07024	44.6
107.08593	19.4
109.06513	7.8
109.10136	12.9
117.07024	15.2
119.08559	34.2
121.06505	9.6
121.10151	8.5
123.08100	5.2
129.07014	10.8
131.08551	24.8
133.10179	12.9
135.47423	4.5
137.06000	8.4
141.07024	5.9
142.07823	5.2
143.08609	15.3
143.73944	4.7
144.09334	5.4
145.10115	16.1
147.08040	6.3
147.11655	9.3
155.08568	10.6
157.10138	17.5
159.11707	20.8
161.09668	5.6
161.13246	8.6
169.10097	13.5
171.11714	13.3
173.13264	11.9
175.14900	5.0
181.10057	5.4
182.10934	5.8
183.11722	17.7
193.10167	6.0
197.13246	12.5
206.10880	5.2
207.11693	8.1
211.14825	11.7
213.16336	7.0
220.12563	4.6
221.13380	5.3
225.12762	10.1
253.19455	14.5
256.26761	5.2
263.17917	15.2
281.19022	52.1
299.20050	100.0
314.21417	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	299.2004
Annotation	Abieta-8,11,13,15-tetraen-18-oic acid
Peak:m/z	Relative Intensity
52.87105	3.6
55.05496	8.5
60.29466	3.6
60.97544	4.0
67.05488	14.3
69.07059	31.3
75.17999	4.1
79.05463	12.9
81.07050	42.1
91.05473	26.4
91.62347	4.5
93.07030	23.6
95.05019	4.9
95.08605	29.9
105.07025	26.2
107.08578	23.0
109.10162	13.3
115.05512	4.3
117.07029	15.5
119.08582	18.8
121.06525	7.5
123.11729	5.3
129.06984	8.0
131.08557	26.1
133.10155	8.7
137.06000	14.7
143.08586	18.7
145.10153	16.2
149.13284	5.5
150.55275	4.9
155.08582	11.3
157.10149	18.0
159.11655	22.6
161.13310	12.3
169.10155	9.4
171.11739	5.6
173.13275	5.5
175.14716	9.8
177.09181	6.3
182.31462	5.8
183.11720	11.4
185.13284	9.6
187.07527	5.3
189.09088	7.5
197.13301	14.3
200.47243	5.0
211.11276	6.6
213.16461	10.0
225.12988	7.6
243.13841	10.2
247.13675	5.3
253.19498	39.8
263.17935	8.0
271.20496	18.4
275.37314	4.8
281.18991	48.5
299.20035	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2003
Annotation	CHEBI:68868
Peak:m/z	Relative Intensity
51.97762	2.3
54.44999	2.4
54.98473	2.1
55.05507	26.7
57.04071	2.4
57.07057	3.3
62.06068	6.4
64.06043	2.1
67.05476	7.9
69.07049	6.2
79.05471	5.6
81.07034	9.9
83.04964	19.6
83.08608	21.6
91.05474	4.1
93.07032	5.8
95.04955	5.6
95.08580	6.1
105.06997	8.0
111.08055	4.1
119.08556	7.1
121.49918	2.2
131.08524	7.0
143.08559	5.1
145.10146	4.2
159.26340	2.9
185.09560	3.6
189.68483	2.6
227.14249	2.7
299.19995	100.0
311.18228	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	299.2004
Annotation	CHEBI:68868
Peak:m/z	Relative Intensity
53.60201	4.3
55.05500	6.9
57.07067	21.9
69.07076	7.7
69.42919	4.9
79.05500	7.8
81.07043	39.0
91.05470	6.6
95.04939	5.7
95.08591	18.8
105.07037	6.2
109.06499	12.3
119.08569	8.0
125.51116	6.4
147.08015	10.1
154.94073	5.6
157.10168	6.0
243.13797	7.3
288.35431	6.7
299.20016	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2003
Annotation	2,6-Dimethylhexestrol
Peak:m/z	Relative Intensity
53.36318	1.1
55.05483	3.2
57.06805	1.3
57.07067	20.3
59.24224	1.1
67.05478	5.8
69.03419	1.7
69.07040	5.4
79.05460	5.4
81.07044	35.7
83.04951	2.4
83.08611	4.0
85.06531	5.4
91.05463	9.5
93.07020	3.5
95.04969	2.7
95.08594	11.1
105.07039	10.7
107.08587	3.8
109.06508	11.2
117.06971	3.2
119.04937	1.7
119.08589	7.2
121.06474	6.8
128.06219	3.3
129.06992	3.1
131.08551	5.2
133.06485	2.8
133.10107	3.7
135.08014	2.5
135.19728	1.3
143.08522	6.0
145.06494	3.9
145.10088	2.9
147.08044	4.2
155.08459	1.8
157.10120	3.3
158.07283	2.0
159.08064	8.6
169.10143	1.5
173.09575	2.7
175.11139	1.6
185.09692	2.0
197.13194	1.6
199.11224	3.0
201.09084	2.8
201.12701	3.9
205.12160	1.7
215.14323	3.7
217.15833	3.3
225.12927	1.5
243.13826	10.1
281.19022	1.5
299.20020	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2004
Annotation	CHEBI:68869
Peak:m/z	Relative Intensity
50.31405	3.0
54.13163	3.4
56.30765	3.4
57.07069	27.1
59.45911	3.3
59.80503	3.8
67.05489	6.6
69.07030	4.4
71.08616	4.7
72.04305	3.7
79.05499	5.9
81.07044	33.6
81.83845	4.4
83.08623	5.1
84.46539	4.0
85.06531	6.2
91.05480	8.1
91.12656	3.8
93.07047	6.2
95.08591	12.9
103.55908	4.1
109.06527	10.1
117.06970	5.2
128.06258	4.6
131.08592	8.9
143.08572	9.3
155.32574	4.8
159.08089	7.4
201.12839	5.2
243.13965	7.2
299.20044	100.0
310.27463	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	299.2006
Annotation	Abieta-8,11,13,15-tetraen-18-oic acid
Peak:m/z	Relative Intensity
55.05500	17.3
56.96549	7.6
57.07065	27.6
67.05497	37.4
69.03432	12.3
69.07056	43.3
71.04984	9.3
79.05485	16.4
81.03411	13.5
81.07050	63.4
83.04964	11.7
83.08623	15.5
85.02889	9.0
85.10219	9.1
88.07018	7.6
88.84512	7.9
91.05463	40.6
93.07034	42.8
95.04977	18.8
95.08600	53.8
97.06522	8.6
104.10900	7.9
105.07040	58.3
107.08622	25.5
109.10169	27.2
117.07000	21.0
119.08595	33.7
121.10141	19.8
123.08070	10.7
129.07045	12.0
129.28609	8.3
131.08600	42.5
133.06534	8.9
137.05960	17.7
140.31509	8.7
142.07759	9.2
143.08553	21.2
145.10114	21.9
149.88672	10.3
157.10130	28.3
159.11749	19.2
161.13268	23.5
165.58926	8.2
169.10197	19.5
173.13200	9.7
175.07658	11.4
175.14749	10.4
183.11757	13.7
195.11884	13.2
197.13222	19.9
201.64641	8.1
253.19498	23.5
263.18079	12.2
281.19073	79.9
299.20041	100.0
305.09567	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	299.2002
Annotation	Abieta-8,11,13,15-tetraen-18-oic acid
Peak:m/z	Relative Intensity
55.05501	11.9
55.83247	3.9
57.07059	8.4
57.49003	4.5
67.05489	16.5
69.07050	23.0
79.05483	14.7
81.07055	48.1
85.02868	4.6
88.37750	4.2
91.05466	40.9
93.07035	32.1
95.04934	10.7
95.08599	36.1
97.10184	6.0
105.06998	39.0
107.04955	6.3
107.08595	10.7
109.10147	14.7
115.05490	7.8
117.07033	18.7
117.25232	4.9
119.04900	5.4
119.08575	29.2
121.06551	6.1
121.10144	7.3
123.08051	5.3
123.11664	7.7
129.07008	18.9
131.08557	28.9
133.10147	12.1
137.05959	25.6
141.06995	6.4
142.07796	10.1
143.08588	20.2
145.10138	19.9
147.11711	7.8
149.06012	8.6
151.07565	15.0
155.08586	16.2
157.10114	14.7
159.11697	27.4
161.05978	5.9
161.13255	22.0
163.07552	5.2
163.14836	5.6
169.10161	10.8
171.11668	15.9
173.13235	6.6
175.07579	17.1
175.14833	8.9
177.09076	5.3
183.11804	5.6
185.09720	5.8
185.13232	11.1
189.09186	5.7
195.11995	5.5
197.13300	15.6
207.11789	7.2
211.14821	10.8
213.16463	12.1
217.12128	8.0
217.88815	5.3
218.97575	5.4
220.26941	5.8
221.77135	5.3
225.12714	7.5
225.16455	4.9
229.12344	8.1
243.13934	6.6
252.93083	5.3
253.19446	44.2
263.18051	15.6
271.20462	15.0
281.19000	50.6
299.12701	5.9
299.20004	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2579
Annotation	(-)-cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
51.55256	6.2
55.05509	35.9
55.25212	5.4
57.03429	7.8
57.07067	100.0
67.05489	41.0
69.07066	49.1
69.07350	4.9
70.23158	6.1
71.08622	82.2
76.43661	6.0
79.05511	12.1
81.07047	90.6
81.11828	6.7
83.08612	47.3
84.21191	6.7
85.10203	32.8
89.12961	7.6
91.05507	12.0
93.07027	8.5
95.08585	73.6
97.10185	37.9
105.07087	9.3
107.08627	11.9
109.10183	27.1
111.08091	8.3
111.11781	14.9
112.44731	6.5
119.08624	10.6
123.11709	19.2
126.59069	7.4
133.10149	9.0
141.12785	17.1
155.14346	15.7
199.25613	8.3
245.22755	12.7
263.23853	12.3
299.21994	72.5
299.25812	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09781	1.7
56.96344	2.3
56.96560	26.0
59.86869	1.8
70.40550	1.7
97.99171	4.6
98.97575	100.0
98.98220	5.2
99.08049	2.1
103.72688	2.3
103.79885	2.2
106.96240	2.2
116.98615	81.3
134.99660	42.7
137.03036	2.1
140.00175	80.1
153.00716	7.5
155.07068	3.7
155.13095	2.2
158.01241	59.5
176.02333	6.0
177.26576	2.5
181.01364	4.1
181.02843	50.5
183.86008	2.6
199.03891	3.4
223.31322	2.2
240.98775	9.4
258.99704	23.8
276.02570	2.5
277.00778	39.3
282.01312	67.4
299.03882	3.2
299.09845	3.0
300.02356	69.1
300.09869	10.9
323.03989	74.2
323.07346	2.9
324.04050	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	300.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03148	1.9
55.01862	45.1
60.81396	2.2
68.44798	2.0
76.02232	3.3
79.05489	3.2
86.09721	5.6
91.05507	4.5
116.07099	6.0
119.04925	46.6
122.02723	14.4
125.06008	4.7
132.98320	2.6
137.06010	3.0
147.03250	5.2
147.04384	59.3
151.03856	4.6
155.01584	15.5
169.03203	16.8
174.77408	2.9
179.07024	100.0
179.08522	5.3
211.04192	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	300.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	1.8
59.04991	3.8
70.06579	2.0
77.63015	1.7
79.05484	20.8
81.03410	2.0
81.07050	34.0
86.09705	2.3
88.04011	4.6
89.06018	6.3
91.05476	9.7
93.03400	9.2
93.07030	66.0
95.04917	2.9
98.65820	1.7
103.88403	1.8
104.51427	1.7
105.06997	3.7
107.04967	7.3
121.10130	28.3
131.08556	4.4
149.09607	100.0
167.10692	3.2
179.07065	3.6
236.25980	2.0
282.13419	14.6
300.11453	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	300.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	4.9
59.04996	27.7
66.76107	4.2
67.05490	13.6
69.03416	11.9
69.07063	9.0
70.06578	16.7
72.08136	6.5
76.11431	4.3
79.05474	16.7
81.07036	14.3
82.17601	4.6
83.04949	8.5
84.08113	5.1
85.06519	5.4
86.09676	12.9
91.05465	20.4
91.16964	4.8
93.07040	21.0
95.04963	19.9
95.08607	10.9
97.06516	8.1
98.97570	8.1
105.07024	23.0
107.08580	13.9
109.06487	8.7
111.04425	10.0
115.05459	12.5
117.07027	65.8
119.04835	4.7
119.08576	29.7
121.06512	11.9
121.10114	7.2
123.08073	5.9
128.06226	20.8
129.06996	9.2
131.08566	21.6
133.10100	13.8
135.08023	8.1
135.50801	5.1
137.09651	15.1
141.07021	4.8
143.08574	69.7
144.09300	6.2
145.06465	43.7
145.10150	16.6
147.08052	5.5
151.07562	9.9
153.06999	5.8
155.08589	7.4
157.10100	9.8
158.10861	7.4
159.08046	24.1
159.11726	23.2
161.09595	15.8
163.07516	6.3
168.09348	20.2
171.08084	14.5
172.08781	23.0
173.05974	80.7
173.09608	13.7
173.13251	22.9
183.11674	32.7
186.10458	8.9
187.11185	46.1
189.08990	8.5
196.08836	21.0
201.12738	39.0
203.14337	5.7
211.11165	90.5
219.13811	14.1
229.12227	68.6
247.13264	100.0
265.14383	19.6
275.60349	5.1
301.03467	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	300.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29242	4.4
56.96546	7.4
58.61028	4.0
65.74293	5.0
68.93352	4.3
79.05498	15.8
91.05463	9.2
93.07040	27.9
107.08580	91.2
121.06496	100.0
135.11673	63.1
217.35590	5.8
241.08664	6.0
253.27730	6.2
274.40952	5.9
300.23129	79.7
310.23718	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	301.0704
Annotation	Ebenfuran II
Peak:m/z	Relative Intensity
53.30227	2.2
56.41798	2.0
57.07053	3.4
66.32835	2.1
76.24187	2.4
79.05491	3.6
81.03455	2.6
81.07034	3.1
89.03889	3.7
91.05471	7.5
95.04959	2.7
107.04946	13.1
117.03381	5.8
119.04971	3.2
121.02809	3.5
123.79648	2.4
135.04422	22.6
137.02322	25.7
137.06006	3.5
145.02867	7.1
163.03894	50.3
163.05203	5.3
165.06963	3.0
181.03450	3.5
181.06516	7.3
186.05418	4.4
191.03380	100.0
195.05081	5.9
209.06033	4.8
218.06631	10.3
219.05063	9.8
227.06963	5.5
255.06514	31.5
258.05286	3.4
260.07550	16.1
273.07727	4.8
301.07047	28.2
307.63535	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0704
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
84.11669	0.9
117.68160	0.9
137.80493	0.9
153.01859	2.5
229.05026	2.9
258.05219	46.9
286.04688	56.3
301.07034	100.0
302.07245	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28345	4.3
56.96557	9.1
57.07072	5.9
61.41502	4.1
62.94210	3.8
66.37805	3.9
67.05496	4.6
75.62608	4.2
81.03394	6.6
81.07050	7.1
89.03927	5.0
91.05473	6.5
91.71636	11.1
95.04978	26.7
96.60090	4.5
98.97556	8.4
109.02869	23.8
119.08607	6.4
121.06488	5.0
123.04420	28.8
124.05194	100.0
124.06028	7.0
126.68658	4.6
131.04948	11.1
135.08096	13.8
137.05940	6.6
145.02795	6.8
149.06000	18.8
151.03868	6.1
153.07076	6.2
164.98471	5.2
177.05498	22.0
181.06497	12.2
186.05556	5.3
195.07985	12.2
199.34584	5.6
200.02336	8.3
209.05988	6.2
211.07582	7.3
223.07535	8.2
240.07710	8.4
241.08887	5.3
255.10170	9.5
268.07339	15.8
269.08066	19.6
283.09601	24.1
301.07373	10.8
301.10583	71.3
301.13867	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	301.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	6.7
57.07071	6.7
61.82092	4.7
80.88343	6.2
91.05453	11.5
91.71649	11.5
95.04994	7.9
97.17110	5.3
103.89429	6.8
107.04954	62.8
107.55525	6.7
119.04949	13.9
121.06467	6.0
123.04403	9.7
131.04918	95.4
137.05981	16.6
148.91336	5.8
149.06018	11.2
152.06174	18.3
153.06894	11.0
154.15511	6.0
155.08563	14.9
161.05991	31.2
165.06966	44.0
167.08528	35.7
176.06104	8.2
177.06917	35.5
181.06503	12.2
183.08066	37.5
188.50870	6.8
194.07271	12.4
195.08044	88.0
211.07535	29.6
216.96642	7.2
223.07521	100.0
224.08398	8.9
240.07816	7.9
243.10228	8.5
255.10162	50.4
271.09634	19.0
283.09641	63.6
301.07016	6.5
301.10455	14.0
320.52689	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	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	20.1
57.41669	13.0
58.72925	11.4
59.04989	44.1
64.30629	13.5
67.05500	19.3
67.78580	12.9
68.15815	15.3
75.97747	14.0
79.05482	59.6
83.04980	32.0
91.05492	29.0
93.07025	19.6
95.04950	72.2
97.06570	15.4
98.11469	13.7
105.07073	25.5
107.04862	18.6
111.04439	49.8
115.41763	14.5
119.08566	26.8
121.06496	26.2
128.06226	24.5
131.08607	21.7
135.08087	33.2
135.80130	16.0
137.05957	18.1
143.08580	20.3
144.17909	17.3
145.06488	39.8
147.08058	64.7
159.08049	59.5
161.09560	42.2
189.09123	59.4
197.37819	15.3
207.10158	100.0
225.11279	55.1
243.12169	30.4
255.03043	22.3
265.14352	21.2
283.15442	51.0
308.25079	16.5
314.93973	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.0
57.19942	0.8
66.81259	0.8
67.05476	2.0
69.07068	5.0
69.07382	0.8
73.10601	0.9
73.12596	0.9
73.95196	0.8
79.05483	2.0
81.07055	2.2
83.08598	2.6
91.05482	1.4
91.71696	1.7
95.04957	1.6
95.08604	2.1
97.10149	2.0
105.07000	2.1
107.04946	100.0
108.38633	1.0
111.11697	1.4
115.54582	0.9
121.06540	5.7
121.07298	1.0
125.13293	1.1
133.06490	13.2
134.06627	1.0
135.07977	1.5
147.08044	14.9
156.68193	1.0
161.09586	5.1
163.11157	1.2
180.04510	0.9
180.90248	0.9
182.81027	0.9
191.14330	0.9
205.15846	1.8
275.33807	1.1
301.25305	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	301.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32460	0.9
55.05494	2.0
57.07052	2.1
67.05490	3.1
69.07059	3.5
75.92455	1.0
79.05482	4.4
81.07037	3.7
83.08607	2.2
91.05486	2.8
95.04950	2.0
95.08604	3.3
97.10152	1.3
98.35871	1.2
103.05496	2.3
105.07027	30.1
107.04948	64.6
108.57172	1.4
119.08590	2.4
121.06500	2.9
124.90353	1.4
133.06483	100.0
144.66516	1.3
147.08055	15.2
148.07533	1.3
161.09644	2.3
301.25229	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	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20853	2.9
53.35766	2.7
55.05507	6.1
56.22480	3.0
56.96550	7.1
57.03413	5.0
60.04506	4.6
64.46112	2.8
67.05499	42.1
69.03417	22.7
69.07066	54.8
70.06583	16.4
71.04968	4.0
72.08145	30.3
74.06061	3.5
81.03410	10.8
84.04516	8.9
84.08139	22.2
85.02901	60.7
86.06050	8.1
86.09702	16.6
87.75428	3.3
95.04958	45.9
97.02885	38.2
99.04466	3.9
100.19045	3.6
103.04008	4.0
107.04975	4.8
109.02889	15.9
112.07590	37.2
114.05493	4.2
118.08659	11.3
123.04420	4.5
123.11670	4.6
127.03934	10.5
129.10277	5.8
137.06009	17.1
140.07059	100.0
144.10187	3.6
145.04984	4.4
150.05576	4.8
151.05840	5.7
154.08669	7.2
163.86682	3.4
181.09764	6.1
182.08122	51.9
185.09270	5.2
189.12372	10.8
197.99677	3.9
206.08147	9.8
240.80450	3.7
248.09227	6.5
260.08923	4.1
302.05798	4.8
310.67285	3.8
322.02670	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	302.1499
Annotation	H-Pro-Trp-OH
Peak:m/z	Relative Intensity
50.59340	1.6
53.49123	1.3
56.72866	1.5
56.96553	2.1
59.12270	1.4
70.06582	48.8
78.99278	1.5
84.04513	1.7
84.08138	1.9
85.02928	2.1
86.09690	1.7
90.81676	1.8
93.07005	1.8
107.08455	1.7
112.81707	1.7
114.05518	21.7
115.05447	4.1
116.07076	18.7
117.05751	5.1
125.07107	5.7
130.06535	21.2
132.08084	59.1
138.53845	1.8
142.06544	6.5
144.08076	13.4
159.09164	100.0
160.07590	5.8
170.06010	24.1
171.07616	5.3
172.07579	5.8
178.72957	2.2
239.11743	2.1
257.12799	3.1
285.12296	37.5
302.14966	6.4
303.04898	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	302.1749
Annotation	Dobutamine
Peak:m/z	Relative Intensity
50.64196	0.9
56.59414	1.0
56.96549	1.1
58.06582	3.5
68.05190	1.2
69.03402	1.0
79.05478	3.1
83.13106	1.0
85.02888	1.2
86.09693	2.1
97.64909	1.0
98.97564	1.7
100.09258	1.2
103.05435	1.7
105.07025	16.6
115.05396	1.0
122.03625	3.0
133.06479	19.5
137.05971	100.0
140.00180	2.0
151.07527	13.7
179.08536	1.7
199.99976	1.2
204.59851	1.3
206.08858	1.0
217.04915	1.7
257.11703	17.7
302.17462	34.5
303.05011	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1748
Annotation	Dobutamine
Peak:m/z	Relative Intensity
56.96561	1.1
61.71088	0.6
71.04948	0.6
78.40598	0.8
81.83416	0.6
86.09721	0.9
91.05437	0.8
94.04160	3.3
121.06509	6.1
122.03642	6.0
136.22435	0.7
137.05972	100.0
138.06335	0.9
152.42712	0.7
166.12263	12.1
277.85721	0.8
302.13464	0.8
302.17163	0.8
303.00504	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1749
Annotation	Dobutamine
Peak:m/z	Relative Intensity
65.83884	0.7
67.47654	0.7
88.62091	0.9
91.05482	2.9
94.04180	1.9
96.53310	0.8
102.22549	0.7
104.68186	0.8
106.10696	0.9
121.06506	7.6
122.03614	5.1
137.05969	100.0
142.97261	0.9
150.06276	0.9
166.12254	11.5
222.42621	0.9
232.57884	0.9
233.32582	1.1
253.98083	0.9
256.51468	1.0
277.61981	1.0
294.75903	1.1
302.17386	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	302.2073
Annotation	Leu Val Ala
Peak:m/z	Relative Intensity
55.05491	4.2
56.96546	1.4
60.90121	0.9
67.05474	1.3
69.03423	1.6
69.07041	3.6
70.06576	3.1
72.08146	63.1
81.07025	1.4
83.04974	1.0
84.04501	1.7
84.08134	2.5
86.09695	100.0
90.05574	1.3
99.05609	1.1
107.04948	3.2
118.08650	1.7
119.04905	1.7
123.04440	3.2
139.03908	1.2
151.03891	3.7
156.49640	1.2
157.13371	9.0
178.55421	1.4
181.02914	1.4
185.12941	6.3
185.16484	31.6
189.12367	6.3
190.09602	1.5
203.13907	2.7
213.15965	11.9
219.99886	1.1
302.13708	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	302.2074
Annotation	Leu Leu Gly
Peak:m/z	Relative Intensity
55.05508	0.7
55.58810	0.7
56.05029	0.7
57.05801	0.9
60.04528	0.7
69.07062	5.8
70.06577	2.7
72.08146	4.5
84.04483	2.5
84.08136	2.7
85.02912	1.1
86.09698	100.0
101.71522	0.8
119.04913	0.7
123.04437	2.2
129.10252	1.5
130.04999	0.9
139.03899	1.8
146.85103	0.7
147.04404	1.2
147.07672	2.2
151.03911	3.7
172.59724	0.9
173.85178	0.8
183.65184	0.8
189.12340	6.4
199.18057	18.2
227.17535	9.0
231.03267	0.7
294.50867	0.7
303.08807	1.2
306.51993	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2073
Annotation	Ala Val Leu
Peak:m/z	Relative Intensity
51.42883	0.7
55.05491	3.8
56.48610	0.8
68.73569	0.8
70.06580	1.8
72.08147	100.0
79.12850	1.0
84.04494	1.9
84.08131	1.5
86.09700	22.5
87.83638	0.9
91.05399	1.0
95.13296	0.9
123.04435	0.9
132.10205	4.5
134.47975	0.8
143.11792	51.3
151.03909	2.7
157.13371	6.2
171.11279	22.3
185.12860	3.8
231.17056	2.2
234.96130	1.0
303.05182	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75254	0.6
52.27740	0.6
55.46121	0.7
56.96564	1.0
60.04513	0.9
64.45148	0.7
66.11064	0.7
69.07045	1.4
70.06581	18.5
71.70911	0.7
71.97173	0.7
72.08147	2.9
74.27457	0.7
81.07027	0.8
81.57700	0.7
84.04490	2.3
84.08144	2.4
86.09695	100.0
86.83439	0.7
110.07134	0.9
129.10268	1.4
132.35141	0.7
145.15469	0.8
147.04402	0.9
151.03841	0.8
155.62178	0.7
165.42580	0.7
167.40102	0.7
189.12341	5.3
199.18034	20.7
227.17502	8.6
253.46230	0.8
297.41794	1.0
302.14926	1.8
302.20724	1.1
303.08447	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.7
55.39146	0.7
66.33826	0.8
69.07052	5.6
70.06631	1.0
72.08138	0.9
73.06540	3.2
74.35653	0.8
75.05593	14.6
75.36900	0.8
78.91093	0.9
79.01404	0.9
79.05471	2.2
81.07053	1.2
83.04961	3.6
86.09699	100.0
91.05500	1.6
93.07033	5.4
116.56194	1.0
121.06525	1.6
132.10213	10.4
137.02295	1.8
137.06024	1.9
139.07553	2.0
143.11792	62.6
145.10110	1.0
147.08110	1.0
171.11298	19.6
175.07510	1.8
184.14594	1.4
189.12338	2.2
199.57333	1.2
200.79939	0.9
221.11705	1.2
230.79205	1.2
231.13838	1.9
249.11200	1.9
257.04572	1.3
267.12378	2.6
267.16177	1.3
285.13260	1.2
303.04932	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	302.2073
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
53.13570	0.6
55.01865	0.8
55.05481	0.8
56.96566	1.4
57.07050	0.9
67.05485	0.7
68.99918	0.7
69.07063	5.9
70.06570	1.2
73.06544	2.7
75.05592	11.4
77.45585	0.7
81.03418	0.8
81.07046	1.2
83.01306	0.8
83.04965	3.4
86.09698	100.0
91.05473	1.7
93.07045	2.9
97.06496	0.8
105.07033	1.1
119.08604	1.4
121.06478	1.0
126.53786	0.9
129.06966	1.1
132.10199	8.9
137.02380	1.0
137.05943	2.3
139.07545	1.5
143.11790	60.5
145.10138	1.0
153.01865	1.4
159.19716	1.0
171.11273	15.9
175.07518	2.1
189.12405	1.6
229.04906	1.2
249.11237	1.0
249.14890	1.9
267.12439	0.9
267.16025	1.2
285.13318	1.5
295.50439	1.0
303.04950	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	302.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26840	2.6
51.68366	2.1
51.89798	2.2
55.05253	2.4
55.05500	8.3
56.05008	4.1
56.96543	2.4
60.04515	100.0
66.35110	2.5
67.05495	28.8
69.07050	9.0
70.06578	8.4
71.04980	5.4
79.05479	6.0
81.07046	36.3
83.16185	2.6
93.07021	5.9
95.08609	30.4
96.17272	2.8
97.10181	2.8
103.32965	2.4
107.08553	5.1
109.10152	8.8
121.10105	2.7
132.80911	3.3
145.51846	2.7
150.11020	2.7
189.68417	3.3
240.23236	6.7
254.24736	6.5
266.24670	21.0
279.32098	3.4
284.25833	41.2
302.26791	37.6
302.29599	3.9
303.05075	5.0
315.41812	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	302.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39652	1.7
57.07049	1.9
58.38122	1.7
61.41428	1.9
65.94606	1.9
69.07035	3.1
69.40119	1.6
70.31192	2.0
76.43592	2.0
78.23386	1.8
94.06577	4.0
106.06554	100.0
120.08028	3.1
140.68961	2.2
302.28238	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	302.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
55.05489	1.6
57.07057	0.9
60.57441	0.5
66.37412	0.5
69.07056	1.9
70.70193	0.5
77.85522	0.5
78.92685	0.5
79.05473	1.3
83.08600	1.0
87.05898	0.5
94.06557	3.7
95.04965	0.9
106.06545	100.0
115.22919	0.5
120.08086	2.0
153.72414	0.5
203.45071	0.6
265.38489	0.5
302.28375	18.1
317.31735	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31393	1.6
53.88161	1.5
55.05489	2.1
55.92443	1.6
64.02333	1.9
94.06544	2.7
106.06547	100.0
120.08141	4.1
126.76608	1.7
213.13132	2.0
302.28241	19.6
303.05048	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	302.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67768	1.5
55.05494	2.2
72.21375	1.8
82.78763	1.8
86.15377	1.7
94.06560	4.0
106.06545	100.0
120.08136	2.2
121.13410	2.0
132.92229	2.2
136.97032	2.3
212.07294	2.3
230.55806	2.7
302.28271	16.8
306.61035	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	302.3051
Annotation	Sphinganine
Peak:m/z	Relative Intensity
55.31512	5.0
56.05001	7.2
56.96547	5.2
57.07058	17.2
59.75518	4.6
60.04515	62.1
60.48468	4.6
67.05476	15.5
69.07042	10.3
70.06570	17.0
81.07040	18.0
83.08604	7.6
88.07614	13.3
95.08592	20.0
106.08632	6.8
109.10158	6.1
179.61522	7.4
254.28540	7.7
267.38425	7.6
284.29327	48.8
291.02264	8.0
302.30521	100.0
303.04868	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.3052
Annotation	Sphinganine
Peak:m/z	Relative Intensity
52.52262	1.3
57.07072	11.5
70.06584	21.3
71.08614	4.5
79.27578	1.7
81.29129	1.5
85.10171	2.9
88.07614	22.4
91.00359	1.8
97.42056	1.3
102.09163	3.8
106.08652	10.5
110.99263	1.5
117.31431	1.9
170.93414	1.7
284.29453	4.1
302.30505	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.041
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06573	4.4
71.86468	4.0
72.99301	4.0
79.90166	4.0
84.08118	4.1
119.01932	13.5
130.22978	4.8
142.03473	11.9
171.39908	4.8
177.00943	19.5
192.86458	5.0
200.02524	15.9
219.01947	23.1
223.04292	7.4
225.00926	7.6
242.03564	16.0
243.02078	8.5
256.97217	7.4
261.03052	50.7
265.05017	9.8
266.03543	28.9
279.92505	5.4
279.98795	14.9
284.04605	85.5
285.04865	7.9
298.58371	5.7
303.00287	24.3
307.06183	100.0
308.06561	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	303.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35561	0.9
56.54042	0.6
57.05337	0.8
65.03922	1.6
67.96169	0.7
68.99765	3.0
78.70878	0.8
81.03378	1.5
86.27285	0.8
91.71136	1.5
93.03368	1.1
96.40493	0.8
107.82510	0.7
109.02878	2.0
111.00805	3.0
117.06980	1.3
121.02862	3.9
123.04452	1.0
136.63795	1.0
137.02353	10.9
153.01822	13.7
155.04912	1.5
163.03957	1.1
165.01863	5.8
166.02582	1.2
173.06044	1.0
183.02861	1.6
183.04367	1.1
201.05470	4.8
229.04941	9.7
257.04422	5.7
274.04578	1.9
285.03696	1.2
299.05264	0.9
303.04956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.89675	1.5
52.09926	1.3
58.67241	1.8
65.37853	1.6
68.99783	3.4
69.07071	2.3
72.64145	1.8
81.03363	2.2
81.07078	2.7
83.87798	1.5
86.09692	6.3
88.03993	7.3
91.71082	4.3
95.05005	2.2
98.09704	9.8
111.00848	2.6
121.02894	4.5
128.21744	1.7
137.02332	12.7
137.05984	7.7
144.09045	4.3
144.10193	75.6
153.01805	15.8
165.01700	1.9
183.02815	1.9
198.86729	2.0
201.05479	7.3
229.04984	12.5
247.06064	2.4
247.17856	1.9
257.04352	4.9
286.95151	2.3
303.04956	100.0
303.18777	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	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94197	0.9
63.28450	1.0
66.36818	0.9
67.05486	1.9
68.99772	2.9
81.03378	1.4
87.18639	1.1
93.06989	1.2
95.04958	1.4
95.08619	1.4
106.28374	1.2
111.00758	4.0
117.06941	1.3
121.02831	3.5
123.41156	1.3
137.02362	10.9
137.03346	2.0
137.06065	1.7
153.01823	11.8
155.04872	1.3
163.03941	1.6
165.01820	4.3
173.05991	1.5
175.07481	1.9
176.07883	1.5
183.02899	1.6
186.86449	1.4
189.08897	1.2
201.05453	4.3
229.04834	8.3
249.14769	2.1
257.04379	4.2
267.15952	1.8
285.03922	3.0
296.35400	1.6
303.04959	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
67.01843	0.8
68.99769	2.5
76.00662	0.7
81.03415	0.8
91.05460	0.8
91.70937	0.7
95.04958	1.1
109.02869	1.5
111.00799	2.9
121.02858	2.7
134.65591	0.8
135.04437	1.2
137.02330	10.6
137.05963	1.7
149.02238	1.1
153.01834	12.8
155.04858	0.9
161.06024	1.0
165.01826	5.2
173.05894	0.9
183.02878	1.7
183.04398	1.0
187.03839	0.9
197.03604	0.8
201.05469	3.9
201.18248	0.7
228.04285	1.1
229.04944	10.4
257.04425	5.5
274.04752	1.7
285.03839	2.4
302.63397	0.9
303.04956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29464	0.3
53.03921	0.2
54.63292	0.2
55.01854	0.4
59.23406	0.2
60.64429	0.2
65.03919	0.9
65.54451	0.3
67.01853	0.7
67.05491	0.6
68.99434	0.3
68.99784	3.3
69.03410	0.3
71.01325	0.3
81.03407	1.3
84.14453	0.2
91.05456	0.4
93.03382	0.9
95.04935	1.2
105.03339	0.4
105.07054	0.3
107.04920	0.3
109.02876	1.8
110.03655	0.2
111.00788	2.7
115.05412	0.3
121.02854	2.9
123.04401	1.0
127.03839	0.6
131.04866	0.3
135.04384	0.3
137.02333	10.9
137.03395	0.8
137.05943	0.5
145.06474	1.2
149.02303	1.1
153.01822	13.4
155.04936	1.5
155.06012	0.5
157.06503	0.4
159.04349	0.3
161.05925	1.0
163.03879	1.9
165.01833	5.1
166.02563	0.6
173.05983	2.0
177.01845	0.3
177.05389	0.4
179.03328	0.4
183.02853	2.0
183.04399	1.3
187.03909	1.3
191.03342	0.5
195.02843	0.6
200.04745	0.4
201.05421	5.5
205.04935	0.7
207.02823	0.4
211.03682	0.3
216.28282	0.2
219.06415	0.6
228.04193	0.6
229.04945	11.5
232.03384	0.4
239.03598	0.5
245.04425	0.4
247.05984	1.7
257.04410	5.1
269.94492	0.2
274.04736	1.4
275.05481	0.3
285.03894	2.1
303.04950	100.0
304.05270	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
56.96539	0.8
61.77956	0.8
65.03925	1.2
68.99769	2.6
70.67252	0.9
95.04969	2.0
109.02872	1.2
111.00791	2.2
121.02815	2.7
123.04440	1.0
127.03944	1.3
137.02336	11.0
137.05991	2.2
145.06512	1.6
149.02377	1.4
153.01813	14.3
155.04904	1.9
161.05917	1.4
165.01823	4.1
173.05907	1.6
183.02905	1.7
200.98204	0.9
201.05489	5.6
229.04947	10.6
247.05983	1.2
257.04468	4.5
274.04596	1.6
285.03827	2.7
303.04953	100.0
304.05341	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	303.0497
Annotation	Viscidulin I
Peak:m/z	Relative Intensity
50.85163	1.8
57.07057	2.7
57.35991	2.0
69.03393	3.0
70.36799	2.1
76.67821	1.9
81.07030	3.2
91.71783	2.0
92.61675	2.0
93.07021	2.3
97.02887	2.6
98.97570	2.1
103.00973	1.9
113.90246	2.5
137.02359	2.5
137.05971	8.7
141.06953	3.3
162.03175	2.5
194.02467	2.4
200.04675	5.5
213.05516	2.4
214.02521	3.0
216.04097	5.4
227.03415	8.1
229.04820	3.5
242.02083	9.1
244.03600	41.8
259.06046	20.4
285.04034	11.6
303.04959	100.0
303.12067	7.4
320.07925	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	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29485	0.3
55.01866	0.6
60.42269	0.4
65.03918	1.0
67.05489	0.7
68.99775	3.7
77.77154	0.4
81.03401	1.4
91.71676	0.6
93.03391	0.9
93.46783	0.4
95.04951	1.8
103.81161	0.3
105.03354	0.5
105.07061	0.5
109.02888	1.0
111.00807	3.5
116.37233	0.4
117.06987	0.4
119.04924	0.4
121.02857	2.8
123.04402	1.0
127.03923	0.6
131.04848	0.4
135.04395	0.7
137.02338	11.0
137.03415	0.8
145.06474	0.7
149.02298	0.5
153.01819	13.5
155.04878	0.8
161.05917	0.7
163.03854	1.5
165.01813	4.6
166.02623	0.9
173.06004	1.6
179.03412	0.6
183.02853	1.4
183.04431	1.2
184.20853	0.4
187.03865	1.5
191.03404	0.5
195.02933	0.5
198.04253	0.4
201.05420	4.1
219.06517	0.6
229.04941	9.8
229.07217	0.5
239.03476	0.5
247.05997	1.6
248.03224	0.4
257.04428	4.1
257.12912	0.5
274.04785	1.2
276.35156	0.5
285.03799	2.4
303.04965	100.0
304.05344	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Viscidulin I
Peak:m/z	Relative Intensity
50.27683	1.7
51.55278	1.5
55.01860	4.6
56.04993	1.9
58.71621	2.1
65.03941	2.0
67.05470	2.4
68.99792	4.2
69.03404	2.2
70.06566	6.5
70.47807	2.0
72.08152	3.5
81.03428	3.4
83.06144	2.0
84.04490	3.0
85.02925	2.3
85.34324	2.0
86.09694	16.3
88.63483	2.0
89.12138	2.4
91.05458	4.2
91.71102	2.2
95.04967	5.4
96.83478	2.2
107.46465	2.2
109.02862	4.4
111.00787	3.6
112.87039	2.0
119.04961	4.6
121.02859	4.9
123.04417	33.0
127.03945	2.9
129.10231	2.4
135.04442	4.5
137.02327	11.7
137.05997	4.8
138.74385	2.2
139.03918	8.7
147.04379	13.6
151.03899	34.8
153.01817	10.2
161.05936	4.5
163.03925	5.9
165.01852	4.5
165.05463	8.8
173.05992	4.8
180.41441	2.3
201.05507	6.1
207.06508	2.7
229.04933	10.3
257.04523	4.3
303.04999	100.0
303.08551	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0863
Annotation	3,3'-Dihydroxy-4,5,4',5'-bismethylenedioxybibenzyl
Peak:m/z	Relative Intensity
55.01857	5.8
55.05487	2.5
56.17187	1.9
56.96557	3.4
60.04501	2.6
61.12924	2.1
61.65266	2.0
65.03939	3.9
67.05487	6.0
68.99780	3.9
69.03419	2.7
70.06609	6.2
70.21320	2.4
72.08141	5.8
81.03419	5.0
84.04485	4.9
84.08121	4.4
85.02898	2.7
86.09685	6.6
91.05476	9.7
95.04964	6.4
107.04956	7.7
110.49834	2.4
111.04457	3.6
115.05476	3.7
119.04939	12.7
119.55890	2.3
120.08126	2.5
121.06419	2.7
123.04418	79.6
125.06034	2.5
127.03938	5.6
129.10210	3.1
132.92242	2.5
135.04430	5.9
137.05997	8.9
139.03891	25.1
147.04416	33.1
149.05991	6.0
151.03896	100.0
151.05084	5.2
153.01694	3.1
153.05524	5.5
161.06006	6.5
163.03902	6.0
165.05441	14.2
173.06000	5.3
179.54393	2.6
181.04993	7.2
189.05525	2.9
193.04947	8.3
207.06522	5.3
217.08658	3.4
218.77177	2.8
285.07660	8.1
303.05051	12.7
303.08475	56.0
304.09436	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	303.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08024	19.9
54.81718	20.6
56.96573	20.0
57.07059	33.9
73.45364	21.7
79.05471	22.1
89.83422	23.9
106.47477	31.5
107.37827	22.7
110.56652	24.0
112.21458	23.4
130.72968	27.5
135.49132	27.6
137.05952	80.2
160.46658	28.7
193.70494	28.4
215.08975	27.0
303.04950	100.0
303.09912	61.8
308.64316	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1074
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
55.01854	3.3
56.96309	1.9
56.96557	12.5
61.02899	3.1
67.97631	2.0
69.03416	7.5
72.04934	1.8
76.19956	1.7
81.03403	7.6
81.71651	1.8
82.22119	1.7
85.02893	28.0
91.03993	1.9
95.04997	2.7
97.02883	5.9
99.52616	1.9
107.04954	3.5
109.02857	4.1
123.04466	2.4
127.03905	5.4
137.05949	3.9
141.05457	100.0
145.04976	4.1
153.05356	2.0
158.01228	2.1
165.05511	3.7
174.02267	4.6
183.06558	3.9
192.03290	4.2
195.21278	2.2
199.98929	2.1
202.15982	2.0
206.04898	2.3
207.06532	2.5
215.04979	7.2
217.06587	2.4
229.06671	2.4
258.09079	4.4
261.05383	5.6
284.07062	22.1
302.08215	3.3
303.04929	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	303.1201
Annotation	Bicozamycin
Peak:m/z	Relative Intensity
55.61199	7.6
62.37477	7.8
94.04179	9.2
94.40196	10.1
95.08554	7.9
122.03678	10.6
137.05969	95.5
161.06175	10.4
194.36266	11.5
303.12015	100.0
319.65723	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	303.2315
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
55.05493	24.2
57.07058	7.8
60.04519	69.0
67.05493	53.3
69.07050	22.9
79.05490	56.4
81.07043	87.3
83.08598	11.0
85.87829	8.7
91.05485	70.0
93.07043	100.0
95.04968	8.6
95.08593	48.0
101.31842	8.2
104.99274	17.7
105.06440	11.0
105.07023	63.9
107.08584	69.9
109.10128	17.4
114.31026	7.4
115.14610	7.1
119.08571	60.4
121.10151	34.2
131.08585	10.5
133.10138	56.1
135.11687	80.6
135.95517	8.2
145.10002	9.3
147.11702	33.7
149.13255	96.9
153.01843	9.9
161.13298	22.7
175.14876	15.2
240.42348	7.9
244.63837	10.2
262.90771	9.3
284.29614	18.0
285.29822	18.1
302.30728	11.3
303.04907	48.0
303.23193	50.1
303.31012	9.6
305.32922	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	303.2316
Annotation	Agallochin G
Peak:m/z	Relative Intensity
53.03926	3.7
55.05510	18.2
55.48095	3.6
56.69958	3.3
57.07071	5.6
60.04497	6.2
62.29375	4.0
65.03920	3.4
67.05500	61.6
69.07057	14.1
71.04987	3.9
79.05492	39.1
81.07055	58.3
83.08621	8.6
88.57099	3.6
91.05480	50.8
93.07033	61.6
95.04980	6.6
95.08605	46.7
97.10147	6.5
104.99277	6.7
105.07043	33.7
107.08612	27.9
109.10157	22.1
119.08574	36.1
121.10143	47.5
123.11719	6.8
124.24842	4.0
128.22159	3.7
131.08592	18.9
133.10121	38.2
135.11693	27.9
137.09657	4.8
145.10126	18.9
147.11674	32.9
149.13213	8.7
150.57559	4.3
151.38638	3.9
159.11719	11.4
161.13292	20.1
163.11185	5.1
164.26323	4.3
171.11780	4.9
173.13281	8.1
175.11201	5.8
175.14827	10.8
185.13255	7.5
189.12733	8.7
189.16336	4.6
193.12259	8.2
201.12680	5.5
201.16591	4.6
207.13853	14.7
221.15303	15.2
280.85941	4.5
303.23145	100.0
303.26523	6.1
315.27924	4.4
315.77310	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	303.268
Annotation	(15:1)-Cardanol
Peak:m/z	Relative Intensity
51.07400	4.8
55.05515	27.7
57.07073	9.0
66.20432	5.6
67.05502	42.0
69.07059	29.5
79.05483	26.2
80.08859	6.1
81.07046	48.2
83.04968	9.6
83.08595	17.5
88.98735	5.2
91.05457	31.1
93.07042	30.7
95.04952	22.6
95.08590	32.5
97.06534	21.5
97.10190	9.9
105.06993	15.1
107.04951	100.0
107.08595	22.4
109.06484	13.5
109.10168	11.7
112.62027	5.4
117.07035	8.5
119.08606	17.1
121.06497	12.3
121.10143	17.2
121.20738	5.2
123.08086	14.4
125.75803	5.5
131.08588	15.8
133.10138	14.6
145.10173	12.3
147.11795	7.2
149.09584	6.8
161.13194	7.8
163.11174	6.6
165.01735	6.4
173.13240	10.6
175.14865	7.5
198.01540	5.8
226.65819	5.9
254.98189	5.9
259.15131	8.2
285.25803	31.0
298.91791	6.8
302.69250	7.1
303.04926	23.6
303.26736	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	9.0
56.28483	1.8
57.07027	1.9
65.03933	3.5
67.05495	93.7
69.07052	9.6
69.07379	1.6
71.04984	21.2
79.05486	15.4
81.07047	100.0
83.08614	9.0
91.05479	9.7
93.07035	20.5
93.48850	2.2
95.04945	2.0
95.08598	74.6
97.10152	2.5
105.07024	13.1
107.04949	5.0
107.08595	15.5
109.10150	44.0
110.54659	1.9
119.08578	6.9
121.10149	14.8
123.11721	17.9
131.08553	2.9
133.10150	8.1
135.11700	11.2
137.13208	4.4
147.11662	6.3
149.13280	8.4
151.14853	3.4
157.43399	2.5
163.14813	4.9
170.81586	2.4
175.14888	2.7
177.16237	2.3
189.16499	2.7
203.17833	3.7
285.25827	9.9
303.04898	7.3
303.26669	20.5
306.65628	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	304.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	45.5
61.25725	8.0
62.31597	7.9
85.81952	9.4
95.08688	12.0
98.05099	9.2
104.99273	100.0
120.80492	10.2
147.78709	11.0
169.82491	10.4
213.65273	11.3
257.78564	11.1
262.98248	11.9
281.10648	19.4
304.05426	15.0
304.12152	54.5
322.13425	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	304.1654
Annotation	H-Trp-Val-OH
Peak:m/z	Relative Intensity
50.34752	1.5
52.03614	1.6
55.05510	12.5
63.09074	1.8
69.03456	1.7
70.06587	3.4
72.08149	100.0
78.27786	1.8
81.07051	3.5
82.98540	2.1
84.04523	2.0
85.02889	2.3
85.42783	1.8
86.09666	3.2
110.07190	1.9
111.19374	1.9
116.07085	3.5
118.06584	4.0
127.08650	3.2
130.06531	11.3
132.08069	19.6
142.06520	3.0
144.08113	18.5
146.05991	23.0
154.49471	2.3
159.04707	2.3
159.09184	28.3
160.07545	3.0
170.06035	7.8
188.07059	43.8
202.09010	2.8
205.09717	31.2
235.46227	2.2
260.32751	2.6
286.87100	2.2
287.13843	11.2
304.16489	8.8
308.53455	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	304.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	13.5
60.60433	6.0
67.05497	83.4
69.07035	16.1
79.05486	16.0
81.07052	100.0
83.04980	5.5
83.08593	20.1
83.52703	5.4
91.05458	7.2
93.07062	28.6
94.55717	7.1
95.08604	87.0
97.06531	12.1
97.10178	8.9
104.99273	61.5
105.07021	6.7
107.08594	19.0
109.10139	38.3
121.10157	17.2
123.11725	15.9
133.10155	20.8
135.11690	18.4
137.09727	7.8
139.41183	6.6
215.18004	21.3
231.04681	7.5
233.19043	16.4
235.18611	7.2
251.20056	62.5
262.98212	13.0
269.21118	8.8
280.11963	6.3
304.05420	6.5
326.19986	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	304.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46456	1.4
55.05509	11.7
56.05025	5.3
60.04519	100.0
67.05499	20.8
69.07060	15.0
70.06579	12.6
71.04956	2.0
71.31653	1.7
79.05466	4.2
81.07053	23.9
83.08608	7.1
91.05469	1.7
93.07039	7.6
94.05618	1.7
95.08604	22.3
97.10141	2.8
104.99295	2.6
107.08586	3.0
109.10151	5.3
121.10160	3.7
123.11700	2.7
135.11697	4.3
135.93616	1.8
232.56847	2.3
242.24866	2.5
256.26306	5.1
258.44516	2.1
268.26276	18.4
286.27396	39.3
304.28436	48.5
308.22415	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	304.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51390	3.2
51.67358	3.6
55.93717	3.8
57.07063	18.7
68.24220	3.9
70.06577	30.7
71.11373	4.4
73.52945	4.0
74.41908	3.8
75.16169	3.6
84.15075	5.0
88.07606	34.9
102.09171	18.1
104.99270	36.2
238.23024	4.6
242.24731	43.4
302.38202	4.4
304.28458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03502	2.1
56.05025	39.7
57.06809	2.5
57.07069	41.5
58.06598	30.1
60.04496	8.6
60.23175	2.7
71.08624	21.7
74.06068	32.6
74.08069	2.9
85.10165	11.0
86.06060	7.0
87.74337	2.4
88.07607	7.5
94.26582	2.5
104.99262	27.2
118.08656	13.7
122.08139	52.3
127.03932	3.7
155.83873	2.7
187.32513	2.7
210.62549	3.1
213.18248	3.0
262.98129	5.7
271.31705	3.0
277.77222	2.8
304.28400	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33391	2.2
56.05031	16.8
56.88931	2.2
57.07074	13.3
57.07301	3.2
58.06581	9.2
60.04494	4.4
71.08611	6.8
71.64251	2.3
72.48805	2.1
74.06066	13.0
74.62187	1.9
80.03045	2.2
85.10146	3.9
86.06023	3.5
88.07112	3.0
88.07624	56.8
90.22884	2.1
93.44155	2.3
99.10571	2.3
104.99249	8.0
112.49399	2.4
118.08684	6.2
122.08119	7.3
149.90810	2.7
196.72667	3.6
256.26328	38.2
304.28421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33391	2.2
56.05031	16.8
56.88931	2.2
57.07074	13.3
57.07301	3.2
58.06581	9.2
60.04494	4.4
71.08611	6.8
71.64251	2.3
72.48805	2.1
74.06066	13.0
74.62187	1.9
80.03045	2.2
85.10146	3.9
86.06023	3.5
88.07112	3.0
88.07624	56.8
90.22884	2.1
93.44155	2.3
99.10571	2.3
104.99249	8.0
112.49399	2.4
118.08684	6.2
122.08119	7.3
149.90810	2.7
196.72667	3.6
256.26328	38.2
304.28421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60986	8.3
56.96556	93.9
65.09014	9.3
85.05530	10.3
85.29105	9.6
98.97562	37.7
106.82551	11.7
109.02834	19.8
110.97548	21.3
112.99127	20.0
116.98616	20.9
123.04411	23.6
127.03897	100.0
128.98593	27.9
131.00179	31.4
139.03914	36.7
140.00208	37.4
143.00182	23.3
149.01228	22.2
151.03908	71.8
152.00200	24.0
154.01747	19.9
155.03247	16.7
158.01251	16.8
161.01247	19.8
166.01791	15.6
170.01228	22.5
172.02855	27.1
179.03397	44.7
181.02771	13.6
185.01187	12.9
188.40953	13.0
195.04451	26.5
207.04536	17.4
226.03845	56.9
263.35114	14.3
277.07111	13.7
287.05359	14.1
287.12433	20.9
305.06604	24.3
305.13614	72.0
317.24356	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	305.0652
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
50.07492	1.5
53.10255	1.7
62.73280	1.6
67.05493	3.0
68.99775	4.5
81.03411	5.6
91.05427	2.2
95.04926	2.2
100.68140	2.0
105.03384	4.3
108.87732	2.1
109.02867	14.6
109.96381	1.8
111.00848	2.4
111.04443	1.8
123.04419	24.1
127.03905	100.0
133.02831	6.4
139.03880	34.4
147.04393	3.5
149.02397	2.9
151.03899	55.1
155.03368	11.9
175.03894	6.5
179.03371	33.3
199.03923	2.3
203.03389	6.5
213.05475	5.0
221.92374	2.1
225.41541	2.4
247.06070	2.1
250.57236	2.2
275.05524	3.6
277.07098	3.6
287.05432	11.7
305.06403	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	305.0654
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
62.34208	1.8
62.84521	2.0
65.03933	2.6
65.64101	2.1
67.05489	5.2
68.99788	4.2
76.05524	1.8
81.03418	8.8
83.04961	2.4
86.09679	2.2
95.04946	3.8
101.81873	2.1
105.03416	2.7
109.02873	16.3
111.00842	2.5
123.04436	23.2
127.03908	100.0
133.02861	2.6
139.03889	39.8
143.66391	2.5
147.04395	6.0
149.02414	4.2
151.03896	59.5
155.03377	21.0
175.03871	5.8
179.03389	31.9
202.87076	2.8
203.03358	5.1
210.34329	2.1
213.05440	3.8
224.92114	2.2
241.04762	2.5
259.06137	4.7
269.81198	2.3
277.07303	4.9
287.05423	10.6
305.06540	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	305.0655
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
51.25677	2.6
56.84250	2.8
65.03925	5.5
67.01861	9.6
68.99770	6.6
71.36737	3.2
75.20621	3.1
75.68673	3.1
75.70458	3.2
85.66499	2.9
86.09715	3.7
95.04962	7.0
97.02890	4.7
107.04951	7.5
111.04460	6.4
121.02859	13.1
123.04418	67.4
127.03926	22.9
129.01808	4.2
132.14537	3.7
133.02846	3.7
135.04362	5.4
139.03943	17.1
149.02339	65.3
151.03926	8.4
153.01826	100.0
157.06404	6.2
167.03366	9.9
171.02821	20.4
179.03407	4.5
185.06059	6.2
195.02925	12.9
203.03300	5.6
213.05511	14.2
231.06525	40.4
259.05988	43.8
276.05447	3.8
287.05423	19.1
305.06516	7.7
305.15625	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0654
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
51.90331	2.6
52.16533	2.5
52.18747	2.4
52.67007	2.6
67.05472	5.3
69.74390	2.6
81.03404	10.7
91.65600	2.9
95.04958	6.0
102.05561	3.1
105.03384	5.1
109.02845	19.2
123.04417	32.6
127.03908	100.0
127.04795	6.3
131.04913	10.5
133.02887	7.6
139.03891	44.5
147.04408	7.2
149.02338	7.8
151.03900	65.9
155.03406	17.2
172.60440	3.3
175.03908	8.4
179.03355	31.6
179.75134	3.2
185.05869	4.0
200.35402	3.2
203.03354	7.7
255.59381	3.3
259.06012	9.1
277.07111	4.1
287.05533	20.4
305.06671	21.3
305.09607	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0655
Annotation	5,7,3',4',5'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
54.30690	1.0
58.06578	1.8
63.31224	1.2
68.99773	2.3
72.08122	2.0
76.70237	1.2
78.68261	1.3
81.03413	3.1
99.04454	1.8
100.61184	1.5
105.03371	2.0
109.02847	7.3
110.05962	1.5
111.00797	3.0
123.04416	13.1
127.03909	100.0
133.02873	3.1
139.03897	11.4
139.41954	1.5
147.04413	4.6
151.03886	28.3
155.03419	4.8
156.23488	1.5
175.03920	4.6
176.49335	1.6
179.03380	32.1
201.64059	1.6
203.03442	7.1
213.05470	1.9
256.78693	1.6
287.05365	11.2
305.06525	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	305.0653
Annotation	5,7,3',4',5'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
62.56404	1.9
64.77607	2.0
65.64153	1.9
68.99780	4.6
74.32811	2.3
79.55259	1.8
81.03389	8.7
95.04960	4.9
96.12040	2.2
105.03399	2.3
106.53311	2.6
109.02876	11.7
111.00842	2.8
112.51643	1.9
113.86922	2.4
123.04407	22.6
127.03906	100.0
133.02835	7.2
138.55986	2.7
139.03891	41.3
147.04454	4.0
149.02245	3.4
151.03891	57.2
151.05075	3.3
153.01886	2.7
155.03363	19.1
171.04469	3.1
175.03914	5.0
179.03374	31.8
203.03395	6.5
213.05518	2.7
241.04807	3.2
245.04390	2.5
277.07007	3.4
281.06793	2.4
287.05435	15.0
296.12201	2.2
305.06509	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	305.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87863	15.4
56.96563	30.5
57.07074	28.8
67.05486	20.2
79.12022	16.0
81.03325	19.9
93.07046	18.5
103.22900	19.8
117.14652	19.0
123.04411	21.6
125.05983	37.0
127.03893	48.2
139.03903	33.1
151.03963	43.9
153.05513	75.3
177.09190	21.6
179.03433	33.8
191.08597	23.9
247.07483	89.5
272.32120	20.5
275.06970	32.1
277.08667	33.5
281.85840	22.2
284.36481	24.0
305.08167	100.0
305.13562	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	305.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71252	6.1
56.96553	13.9
57.03423	12.3
58.69455	5.9
69.03415	54.3
69.84695	5.9
77.18933	6.8
77.60297	6.8
78.53326	6.0
81.03406	19.8
85.02901	46.8
85.22138	6.9
87.42765	5.8
93.07025	100.0
95.04979	7.4
97.02885	32.6
98.97598	19.7
99.04467	9.9
105.07020	9.2
109.02863	8.1
116.98586	9.0
123.04436	12.2
127.03902	99.3
127.04673	11.7
135.11690	20.3
139.03922	27.7
140.00246	8.0
143.03423	33.8
145.05107	8.1
150.76378	8.1
151.03922	48.7
155.03380	11.8
159.18848	8.0
169.52916	7.1
179.03455	28.2
203.03455	9.3
204.12682	7.3
277.37735	8.7
287.05533	21.2
291.03870	22.4
305.06348	16.5
305.13733	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	305.1018
Annotation	4'-O-Methylcatechin
Peak:m/z	Relative Intensity
51.95127	1.2
55.01863	1.8
58.69894	1.2
65.03953	2.5
67.05499	2.7
81.03439	4.0
83.04982	1.9
85.02911	1.7
87.61148	1.6
91.05491	3.4
91.71664	3.8
95.04995	3.6
107.04971	2.2
109.02876	7.8
111.00784	2.4
111.04469	2.9
113.67863	1.4
119.04951	4.0
119.49924	1.3
120.97476	1.4
122.03681	2.5
123.04426	13.4
127.03910	52.4
133.02853	4.0
136.62364	1.6
137.05978	48.6
139.03896	100.0
147.04395	22.3
149.02348	2.3
151.03893	27.6
155.03458	7.3
161.05974	2.9
163.03947	2.1
175.03979	2.7
175.07544	2.3
179.03391	15.9
179.07069	2.2
221.08020	2.0
287.05597	6.6
294.83191	2.2
305.06470	14.6
305.10040	2.5
305.13892	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	305.113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94999	0.6
55.97239	0.5
56.05013	0.8
56.96553	0.6
60.04508	0.8
67.05482	1.1
69.03425	1.1
69.07059	1.0
70.06561	1.9
71.04982	0.6
72.08143	1.1
74.53583	0.6
75.90867	0.6
81.03402	1.0
81.07040	0.9
83.04952	0.7
84.04015	0.7
84.04491	8.7
84.08129	1.1
85.02876	1.2
86.09695	2.4
91.71696	1.2
93.07041	0.8
95.04921	1.3
102.05518	3.2
103.05441	1.0
111.04420	0.9
120.08017	0.7
121.02844	1.5
121.43796	0.6
123.04427	8.5
127.03913	2.1
130.04965	5.2
130.06520	100.0
131.06873	1.3
138.32970	0.6
139.03877	1.5
143.10638	0.8
145.46594	0.7
147.04382	0.8
148.06038	7.6
149.02315	8.2
151.03859	0.8
153.01820	12.5
157.06479	0.9
158.06007	2.3
167.03394	1.2
179.03252	0.9
185.05949	1.1
195.02840	2.0
213.05501	1.5
214.08586	1.1
231.06506	5.6
241.05057	1.3
248.02489	0.6
256.51361	0.6
259.05948	5.2
259.10666	1.3
287.05426	2.1
305.06522	1.4
305.11234	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	305.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26999	2.5
51.75857	2.5
55.05505	3.3
56.96550	3.3
63.75165	2.5
66.52357	2.5
67.01875	3.7
67.05494	4.1
68.99812	3.1
70.06593	6.9
70.91674	2.6
72.08162	5.3
81.07056	3.4
83.04982	2.7
83.31680	2.5
86.09715	4.2
91.05464	3.5
107.04950	7.3
110.07155	3.6
119.25986	2.8
127.03924	10.7
133.02884	13.0
139.03951	5.7
139.55685	3.1
151.03949	6.1
153.01826	34.4
156.24945	3.2
171.02878	12.0
179.03392	24.9
244.06409	3.4
273.12476	7.7
287.12527	21.1
288.54141	4.1
305.06488	14.2
305.13550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1744
Annotation	Tanzawaic acid F
Peak:m/z	Relative Intensity
52.65380	5.4
53.03927	20.7
54.07235	5.4
54.36697	5.1
54.75460	5.3
54.84530	5.8
55.05485	11.2
57.07064	71.0
64.90916	6.5
67.05485	10.7
69.07057	13.9
69.95380	5.6
71.07207	5.7
81.03409	27.0
81.07052	14.9
83.04958	7.5
85.06538	22.6
87.92834	7.4
91.05466	16.1
92.76653	6.8
93.07047	9.8
95.04974	12.7
95.08582	10.5
97.02841	7.1
101.40613	6.2
105.07022	28.2
107.08583	15.4
109.06482	9.8
118.88912	7.1
119.08576	10.8
121.06495	29.5
128.06256	7.7
129.07051	16.2
130.78302	7.9
131.08574	13.9
133.06482	11.2
135.08018	10.2
135.11659	7.4
137.06046	11.0
141.06964	11.8
142.07788	34.8
143.08585	17.9
145.06447	11.6
149.09624	11.8
155.08583	19.8
157.10101	100.0
165.12753	10.5
166.07770	8.4
167.08585	10.4
170.07231	8.3
171.08124	7.8
177.12729	7.7
183.08051	11.0
185.09558	67.5
189.12694	8.0
195.08066	8.2
198.10376	11.6
201.12804	28.5
208.08781	12.4
215.14313	10.3
217.15865	9.4
239.14146	10.6
241.15843	80.5
251.14200	16.2
259.16858	42.6
269.15347	90.7
285.34262	9.6
287.16406	93.2
305.17648	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	305.1745
Annotation	Tanzawaic acid F
Peak:m/z	Relative Intensity
51.86529	8.4
53.03942	25.6
53.89320	8.1
54.09349	9.0
55.05516	9.3
57.07069	89.2
58.06607	11.4
67.05482	14.9
69.64671	9.9
80.49641	9.4
81.03408	16.1
81.07050	27.7
83.04986	9.6
85.06551	26.6
86.09621	9.5
91.05474	26.5
95.04993	15.9
105.07037	20.6
109.06463	18.3
110.09480	10.5
115.96833	11.5
119.08489	11.6
121.06502	21.5
123.04443	12.6
129.06973	21.0
137.19131	9.9
141.87671	9.7
142.07774	56.2
143.08568	20.5
149.09464	12.8
155.08598	13.0
157.10078	91.5
175.11179	12.5
183.08052	14.5
185.09607	72.8
201.12849	37.7
239.14468	12.0
241.15804	100.0
250.10069	11.9
251.14262	18.9
259.16998	44.9
269.15305	73.9
270.03888	11.7
287.16336	83.0
301.34311	14.7
305.17368	37.7
311.05185	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	305.1746
Annotation	Tanzawaic acid F
Peak:m/z	Relative Intensity
53.03931	30.7
53.17225	21.0
57.07057	60.8
59.67374	18.9
60.97948	21.3
61.17607	20.0
62.95977	22.1
63.55861	19.5
69.07071	31.3
71.06235	22.2
85.06541	26.4
93.06961	27.3
95.08617	28.2
100.85056	22.2
105.06982	30.7
121.06525	35.9
131.08578	28.9
137.06007	52.0
142.07750	47.2
157.10112	74.0
164.23747	26.4
180.86316	27.7
185.09665	68.6
224.84212	27.8
236.76651	25.9
241.15804	100.0
269.15442	79.7
271.00095	26.4
287.16406	80.5
287.19724	29.0
295.56976	27.1
305.17691	48.5
305.24890	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	305.1746
Annotation	Tanzawaic acid F
Peak:m/z	Relative Intensity
53.03925	25.2
55.01873	5.0
55.05507	6.2
56.92147	4.6
57.06796	7.2
57.07064	92.4
59.15762	4.6
65.03924	5.2
67.05497	15.5
69.07068	10.8
77.24574	5.3
77.58479	4.4
81.03398	24.1
81.07039	21.1
83.04958	8.2
85.06515	15.3
91.05463	17.2
91.37291	4.6
92.30740	6.0
93.07060	4.7
95.04943	12.5
95.08595	6.1
105.07030	25.6
109.06530	18.1
115.05405	5.8
117.06964	6.1
119.08589	9.3
121.06475	26.7
123.04373	6.4
128.06189	9.0
129.07028	16.8
135.08067	7.4
137.05984	12.6
141.06966	18.8
142.07774	47.0
143.08542	14.9
145.06438	9.3
151.11169	8.8
155.08578	12.5
157.10121	77.2
158.07281	10.7
159.08032	8.2
165.06979	6.4
165.12738	10.0
167.08571	6.6
170.07381	8.6
171.08058	6.4
175.11115	5.6
177.12741	6.7
181.10118	5.6
183.08069	16.5
185.09589	62.8
197.09637	9.6
201.12796	32.7
203.10706	6.0
205.12270	8.3
208.08963	8.6
217.12234	6.8
217.15840	11.3
239.01505	5.8
239.14304	10.5
241.15852	100.0
251.14224	9.2
259.16928	44.9
269.15347	76.3
278.29175	6.0
287.11987	5.5
287.13187	9.5
287.16379	97.4
305.17377	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	5.3
55.01864	17.1
55.05496	28.1
57.03413	7.6
57.26463	6.2
59.04987	7.6
63.59320	6.0
67.05502	65.2
69.03410	5.9
69.07058	30.5
70.06577	13.6
70.41794	5.7
71.04974	60.6
73.63020	5.8
74.41981	6.6
79.05486	42.2
81.03389	13.3
81.07047	85.1
83.04969	20.2
85.02895	91.0
85.06528	22.0
87.04457	8.8
88.55405	7.7
91.05473	19.4
93.07022	72.0
95.04956	16.8
95.08598	100.0
97.06526	10.1
99.04429	47.0
99.08061	20.1
101.06004	8.8
105.07015	30.4
107.04924	9.5
107.08602	28.6
109.06535	9.4
109.10151	24.5
109.14044	6.8
111.04452	12.3
115.03951	29.1
117.05499	22.0
117.07030	16.8
119.08570	17.4
121.06502	17.3
121.10143	48.4
123.04407	10.6
123.08048	9.8
127.03958	15.0
129.07008	8.3
131.08566	23.2
135.08093	9.7
135.11639	8.9
136.07565	9.6
137.09596	10.3
139.11121	38.0
145.10143	8.0
151.38567	9.3
153.01819	13.7
157.10112	12.3
157.12248	13.3
159.11708	38.2
164.07057	19.5
173.13268	20.5
183.11670	12.0
191.14369	17.8
196.19778	8.3
201.12704	17.7
205.59825	6.7
214.05853	7.9
219.13791	29.7
237.14833	16.8
255.15866	8.2
305.06421	11.5
305.13522	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	5.3
55.01864	17.1
55.05496	28.1
57.03413	7.6
57.26463	6.2
59.04987	7.6
63.59320	6.0
67.05502	65.2
69.03410	5.9
69.07058	30.5
70.06577	13.6
70.41794	5.7
71.04974	60.6
73.63020	5.8
74.41981	6.6
79.05486	42.2
81.03389	13.3
81.07047	85.1
83.04969	20.2
85.02895	91.0
85.06528	22.0
87.04457	8.8
88.55405	7.7
91.05473	19.4
93.07022	72.0
95.04956	16.8
95.08598	100.0
97.06526	10.1
99.04429	47.0
99.08061	20.1
101.06004	8.8
105.07015	30.4
107.04924	9.5
107.08602	28.6
109.06535	9.4
109.10151	24.5
109.14044	6.8
111.04452	12.3
115.03951	29.1
117.05499	22.0
117.07030	16.8
119.08570	17.4
121.06502	17.3
121.10143	48.4
123.04407	10.6
123.08048	9.8
127.03958	15.0
129.07008	8.3
131.08566	23.2
135.08093	9.7
135.11639	8.9
136.07565	9.6
137.09596	10.3
139.11121	38.0
145.10143	8.0
151.38567	9.3
153.01819	13.7
157.10112	12.3
157.12248	13.3
159.11708	38.2
164.07057	19.5
173.13268	20.5
183.11670	12.0
191.14369	17.8
196.19778	8.3
201.12704	17.7
205.59825	6.7
214.05853	7.9
219.13791	29.7
237.14833	16.8
255.15866	8.2
305.06421	11.5
305.13522	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.6
55.04597	2.7
55.05499	11.9
55.07612	3.2
57.03428	8.1
58.13441	2.8
59.04975	5.7
59.74220	3.2
63.36444	2.7
67.05172	4.2
67.05497	51.2
69.03397	3.7
69.07053	17.8
71.04990	34.3
79.05492	26.9
81.03413	6.1
81.07047	35.8
83.04963	13.3
85.02895	100.0
86.96016	2.9
87.04453	10.4
91.05443	15.6
93.07029	37.4
95.04962	9.5
95.08035	5.2
95.08600	65.3
97.06509	10.1
99.04440	35.3
100.02197	4.6
101.06017	9.0
105.07024	11.5
107.04951	9.5
107.08596	13.6
109.10145	16.2
111.04420	6.6
113.06042	3.5
113.09628	6.9
115.03898	16.0
117.05490	26.1
117.07020	13.0
119.08572	9.3
121.06527	6.0
121.10124	20.7
122.06035	4.2
123.11785	6.2
124.07574	7.6
125.05994	6.8
127.03915	18.0
129.05455	5.6
131.08592	10.7
133.06502	6.1
133.10150	5.3
135.08073	6.1
135.11722	5.2
136.06525	4.6
136.07568	86.0
137.06013	4.5
139.03920	6.1
139.11198	23.3
145.04912	4.1
145.10135	5.1
149.05954	3.8
149.09663	4.4
151.07550	3.3
152.07088	14.7
153.12769	4.2
157.10226	3.5
158.04683	3.2
159.11668	20.8
163.07605	4.2
164.07045	62.5
165.09103	3.2
167.06958	4.0
173.13249	7.1
177.12836	3.6
182.08206	13.1
183.11717	7.3
191.14334	9.8
201.12747	7.8
213.10503	3.4
219.13795	28.0
233.15399	5.3
237.14899	8.0
287.13824	6.2
294.01425	3.7
305.14038	4.2
306.13754	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	305.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81057	3.0
54.04059	2.8
54.05152	3.2
55.01862	10.2
55.03177	3.6
55.05495	11.7
55.58827	3.2
56.42039	2.9
57.03431	8.9
57.07057	4.3
59.04976	8.0
65.52302	4.2
67.05492	62.2
69.03407	5.3
69.07064	21.3
70.06570	5.1
71.04993	34.4
75.94791	3.5
79.05482	20.4
81.07044	36.8
83.04964	8.1
85.02894	100.0
87.04450	6.8
91.05461	19.6
93.07028	35.0
95.04973	10.7
95.08601	64.9
97.06526	7.9
97.10194	3.7
98.97511	5.6
99.04443	28.6
100.02221	5.8
101.06010	8.1
105.07012	12.5
107.04937	6.8
107.08592	13.9
109.10174	11.4
111.04452	5.7
113.05995	5.1
113.09642	8.4
115.03915	18.5
117.05501	28.4
117.07021	8.7
119.08575	10.7
121.06509	7.3
121.10139	25.3
124.07576	7.8
126.91677	4.0
127.03895	16.1
129.05478	5.4
131.08534	9.0
135.08014	5.1
135.11639	9.2
136.07559	69.9
137.06036	4.1
139.03827	4.8
139.11169	15.7
145.10098	10.2
152.07056	9.8
153.12711	5.0
159.06514	5.3
159.11688	16.6
164.07040	44.9
165.09143	6.4
173.13264	10.7
179.06975	4.2
182.08119	12.6
191.14273	12.7
201.12740	5.9
219.13803	30.7
237.14803	7.2
287.13629	4.9
306.13535	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	305.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81057	3.0
54.04059	2.8
54.05152	3.2
55.01862	10.2
55.03177	3.6
55.05495	11.7
55.58827	3.2
56.42039	2.9
57.03431	8.9
57.07057	4.3
59.04976	8.0
65.52302	4.2
67.05492	62.2
69.03407	5.3
69.07064	21.3
70.06570	5.1
71.04993	34.4
75.94791	3.5
79.05482	20.4
81.07044	36.8
83.04964	8.1
85.02894	100.0
87.04450	6.8
91.05461	19.6
93.07028	35.0
95.04973	10.7
95.08601	64.9
97.06526	7.9
97.10194	3.7
98.97511	5.6
99.04443	28.6
100.02221	5.8
101.06010	8.1
105.07012	12.5
107.04937	6.8
107.08592	13.9
109.10174	11.4
111.04452	5.7
113.05995	5.1
113.09642	8.4
115.03915	18.5
117.05501	28.4
117.07021	8.7
119.08575	10.7
121.06509	7.3
121.10139	25.3
124.07576	7.8
126.91677	4.0
127.03895	16.1
129.05478	5.4
131.08534	9.0
135.08014	5.1
135.11639	9.2
136.07559	69.9
137.06036	4.1
139.03827	4.8
139.11169	15.7
145.10098	10.2
152.07056	9.8
153.12711	5.0
159.06514	5.3
159.11688	16.6
164.07040	44.9
165.09143	6.4
173.13264	10.7
179.06975	4.2
182.08119	12.6
191.14273	12.7
201.12740	5.9
219.13803	30.7
237.14803	7.2
287.13629	4.9
306.13535	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	305.2109
Annotation	CHEMBL1813662
Peak:m/z	Relative Intensity
55.05499	9.9
57.07069	44.7
59.85410	4.3
62.31388	4.6
67.05487	8.1
69.03422	6.3
69.07067	27.0
71.08604	7.5
79.05482	7.0
79.27036	4.7
81.07056	11.3
82.44462	4.7
83.08611	25.6
83.11257	4.7
85.06537	11.6
89.06024	19.0
91.05438	8.1
93.07014	7.5
95.08595	14.1
104.04646	5.7
105.07031	16.9
107.08608	11.3
119.08585	14.4
121.06527	8.0
121.10197	6.2
123.91510	4.6
129.07011	5.6
132.94080	7.5
133.06464	8.2
133.10114	6.0
135.11696	6.3
137.05971	6.8
137.09615	7.0
143.08508	8.2
147.08017	7.8
151.09572	6.9
155.31071	5.9
203.14371	19.6
217.12271	9.0
218.12979	14.5
219.13908	9.0
231.13812	18.3
245.18925	5.3
259.20624	33.4
287.20016	100.0
313.92288	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	305.2109
Annotation	CHEMBL1813662
Peak:m/z	Relative Intensity
55.05491	10.9
57.07066	27.4
58.52811	3.5
67.05489	6.6
69.07057	38.6
72.90733	3.1
79.05482	3.8
81.07039	5.7
83.05003	4.3
83.08607	27.9
85.06525	12.4
91.05480	5.1
93.07017	11.3
93.16096	3.3
95.04985	4.3
95.08585	5.6
96.91360	3.6
105.07030	9.8
107.08572	5.0
109.10156	3.7
117.64993	3.0
119.08600	11.4
121.10131	5.4
121.11398	3.2
123.08038	4.0
129.07030	4.6
130.53038	3.2
131.29057	3.2
133.06458	4.0
133.10170	3.4
135.04478	3.8
135.11662	3.3
137.05934	5.5
137.09602	7.2
143.08542	7.5
143.22794	3.4
145.06451	4.3
145.10176	5.9
147.08064	10.7
155.74524	3.3
157.10104	6.5
161.13188	3.5
169.99576	4.4
175.07533	4.6
189.12755	5.8
191.64984	3.7
203.14281	20.7
217.12274	9.7
218.13042	22.0
219.13882	12.9
231.13785	7.9
241.15730	4.3
245.18930	3.8
259.20523	20.3
287.16791	4.6
287.20013	100.0
305.21246	6.9
305.24908	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	305.2472
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
54.15007	2.4
55.05490	9.3
57.07069	4.7
57.09040	2.6
65.03949	2.5
67.05495	83.2
69.07059	8.1
71.04977	3.0
79.05473	31.8
81.07047	100.0
83.08605	6.8
91.05457	14.8
91.71035	8.2
93.07032	48.0
95.08591	76.1
97.10124	3.8
105.07027	13.6
107.08581	33.8
109.10140	36.6
119.08521	4.4
121.10117	31.5
123.11709	19.0
126.97384	3.1
127.97970	3.7
128.39516	3.3
133.10141	6.8
135.11694	29.6
137.13277	10.8
147.11684	5.1
149.09535	3.9
149.13277	14.2
151.14813	4.0
161.13237	4.9
163.11217	3.4
163.14807	4.4
166.02147	3.3
175.14705	3.8
177.16447	5.4
287.27274	6.7
305.24728	22.6
305.28159	5.7
310.76669	3.5
317.82736	3.5
322.77133	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	305.2474
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
55.05503	15.5
55.97240	6.5
59.65150	5.5
67.05494	100.0
68.01186	6.3
69.07040	13.2
72.92224	5.9
74.40716	6.3
77.58834	7.0
79.05486	26.7
81.07048	97.0
85.38582	7.3
91.05476	20.9
93.07046	40.7
95.08020	11.7
95.08584	72.4
105.07056	10.1
107.08595	31.0
109.10149	42.8
119.08572	9.2
121.10128	43.5
123.11705	27.8
133.10092	14.9
135.11710	26.7
142.52847	7.7
147.11772	7.9
149.09584	7.8
149.13232	13.6
184.47679	8.5
209.15291	9.5
212.76698	10.7
238.76582	7.3
269.23077	8.3
302.49768	7.2
305.15564	9.3
305.24896	42.6
325.19601	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2474
Annotation	juniperonic acid
Peak:m/z	Relative Intensity
51.67335	9.5
55.05487	19.8
57.07059	22.2
66.79672	9.2
66.83128	10.9
67.05492	54.5
69.07048	30.0
79.05492	36.0
81.07026	58.2
84.24516	11.2
85.06525	12.4
91.05484	29.5
91.71076	14.1
93.07027	65.1
95.08603	46.1
105.07058	25.3
107.08562	27.5
109.10182	15.6
110.90916	10.5
119.08600	39.1
121.10152	48.9
123.11715	13.4
129.38895	11.8
133.09235	12.7
133.10156	40.3
135.11707	27.0
137.05975	58.5
147.11684	32.5
148.64766	11.9
149.13321	18.2
157.10110	19.3
183.00496	11.8
207.13878	25.5
245.22731	14.9
287.23599	18.3
305.24661	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11685	3.3
52.06466	3.1
54.31326	3.7
57.07065	68.6
68.37226	3.3
71.08617	34.4
74.24101	4.0
85.10179	23.9
85.34016	3.8
89.06022	100.0
109.81806	4.1
130.08615	21.0
133.08626	12.8
151.09650	31.0
234.95255	4.0
307.02527	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	305.2836
Annotation	Pregnan-21-ol
Peak:m/z	Relative Intensity
55.05497	16.1
57.07063	15.2
60.34496	3.3
62.26449	3.7
67.05493	84.2
67.05833	6.7
69.07072	20.8
69.07377	3.6
69.34482	3.9
71.05002	21.0
71.08620	10.5
79.05477	19.0
80.95602	3.6
81.07050	100.0
83.08606	17.4
91.05479	9.4
91.71004	6.5
93.07051	23.2
95.04964	4.5
95.08598	80.5
97.10160	13.5
97.75604	3.7
104.90573	4.4
105.07025	12.1
107.08599	15.0
109.10141	37.1
119.08590	11.7
119.54262	3.6
120.41914	3.8
121.10126	24.4
123.11729	15.8
133.10117	8.5
135.11690	28.1
137.05984	6.2
147.11667	13.0
149.13292	14.2
161.13272	5.0
163.14822	5.3
175.14886	7.6
181.78348	5.4
191.18010	5.1
261.25867	13.9
277.78546	4.6
287.27316	25.2
305.28354	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2837
Annotation	Pregnan-21-ol
Peak:m/z	Relative Intensity
53.00309	5.0
55.05493	23.7
55.29625	3.8
57.07067	25.7
67.05170	8.1
67.05498	98.6
69.07063	26.9
69.54333	4.1
71.04976	9.9
71.08625	12.7
79.05492	28.3
81.07049	100.0
82.20621	5.0
83.08609	18.6
85.10179	9.8
91.05473	21.0
93.07037	60.7
95.08601	92.4
97.10149	8.8
105.07026	17.8
107.08575	35.7
109.10140	50.2
119.08583	12.4
121.10137	42.5
123.11715	16.6
133.10127	19.2
133.25696	5.1
135.11685	43.0
137.05962	27.6
147.11690	11.2
149.13286	15.2
151.14745	6.5
161.13278	15.8
163.14862	6.5
177.16368	8.8
189.12880	6.5
191.63585	5.6
244.76402	5.6
247.24226	12.7
281.02161	5.9
287.27142	13.0
305.24854	12.5
305.28360	24.0
311.69864	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	306.1335
Annotation	Pancratinine D
Peak:m/z	Relative Intensity
60.04503	2.6
63.11887	1.5
69.03400	1.6
70.06570	3.8
84.04459	3.4
84.08126	2.2
84.68593	1.3
86.09696	11.3
87.83713	1.5
89.53126	1.3
91.05470	1.8
91.70949	1.4
95.04948	1.4
96.08922	1.6
109.98761	1.3
110.07102	1.7
110.27947	1.6
111.04407	1.5
114.05432	1.6
121.60112	1.5
127.03902	3.4
130.06499	5.7
131.06865	9.2
139.03873	6.8
172.11133	2.2
188.10690	53.7
206.28984	1.8
216.10194	28.7
216.13628	2.4
232.09680	100.0
242.11514	2.0
246.11285	3.7
258.11224	5.0
277.33456	1.7
288.12030	4.0
306.13293	73.9
306.20575	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	306.206
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10502	0.8
61.02415	0.8
69.07043	2.6
75.92072	0.8
81.07050	1.0
84.25524	0.8
89.69688	1.0
94.04193	4.7
117.45865	0.9
122.03645	7.4
137.05971	100.0
170.15465	1.0
182.15375	1.3
192.19878	1.1
209.32500	1.2
212.14909	1.1
215.16452	1.0
216.95972	1.2
290.93973	1.3
325.70850	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	306.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71184	1.3
57.07055	5.4
57.58373	1.4
61.30562	1.1
69.03416	2.8
69.50602	1.2
70.06587	18.5
71.08621	4.1
84.08114	2.7
87.66721	1.6
88.07629	18.9
91.05476	2.2
93.07023	3.6
95.04951	3.7
95.08561	1.4
97.02886	3.4
100.11867	1.6
105.07005	1.5
114.09147	7.4
115.03851	1.4
127.03946	3.0
128.04236	2.3
132.10202	35.4
137.05957	5.3
139.03876	7.4
163.03885	1.7
173.09618	1.6
176.12807	5.0
186.18575	1.8
191.10670	3.4
194.13898	6.7
200.20082	6.5
218.21098	3.4
262.23938	1.8
271.16522	1.9
289.18005	5.4
306.26370	100.0
307.19144	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	306.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.6
56.05014	7.8
56.96555	2.8
57.07047	5.9
58.06591	10.1
60.04507	3.0
62.13811	1.5
70.06578	1.7
71.08587	2.0
72.08133	2.1
74.06059	6.4
77.81796	1.5
82.22047	1.6
86.06042	4.7
88.07620	49.1
89.05999	1.6
96.95072	1.8
100.07600	2.1
104.07083	5.6
118.08584	1.9
132.10202	9.1
137.06013	3.0
162.11188	2.3
166.10757	3.1
214.21648	37.4
217.74448	2.2
258.24261	13.2
261.03085	1.8
306.26355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02534	1.2
54.51127	1.1
57.07064	7.8
58.06588	3.4
58.21723	1.1
70.06577	36.7
71.08604	5.5
72.08134	2.2
84.08122	4.1
84.44261	1.4
85.77634	1.4
86.09685	3.9
88.07614	13.4
89.84644	1.2
91.71120	2.0
102.09161	7.8
132.10172	10.6
140.07018	1.6
146.11745	9.0
156.17493	3.7
161.09633	1.9
169.39795	1.5
182.19026	1.7
200.20049	22.2
244.20227	2.1
244.22708	42.0
306.26364	100.0
307.26669	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.081
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
50.04269	0.8
56.05029	2.0
56.96546	1.3
60.59578	1.0
65.03934	2.4
67.05499	1.7
68.84299	0.9
70.06586	1.8
70.14685	0.9
72.70225	1.0
76.02224	1.7
78.98479	0.8
81.03415	2.7
81.07033	1.4
83.04960	2.0
84.04484	8.5
84.08233	1.0
85.02889	3.5
90.97364	1.1
91.05441	1.4
93.03389	1.3
95.04967	2.0
96.75398	1.1
97.02878	1.7
98.06023	1.1
104.05325	2.8
107.04943	2.6
109.02895	2.1
111.04442	2.7
121.02867	2.6
123.04454	5.0
127.03908	23.1
130.04999	2.7
131.04951	2.3
135.04393	8.6
137.05969	2.9
139.03897	100.0
146.06361	2.2
151.03857	2.5
155.03384	18.2
159.04398	2.8
163.03876	14.8
167.63823	1.1
169.04984	2.7
174.05736	1.3
177.05463	3.6
181.04959	5.4
183.06581	1.0
195.06479	2.2
196.91599	1.2
201.05479	1.5
202.63823	1.3
205.04926	1.2
271.06091	1.9
280.77423	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.9
54.79874	0.8
55.01873	1.0
61.40349	0.7
65.03949	1.9
67.01899	0.8
67.05500	1.4
68.55774	0.8
68.99796	1.4
80.90009	0.8
81.09149	0.7
85.74929	0.8
91.71621	1.7
95.04987	1.8
99.00907	0.9
103.92289	0.7
107.04977	1.3
111.04491	1.6
121.02821	0.9
131.04958	2.0
133.02879	2.0
135.04457	3.1
139.03893	100.0
151.03984	3.0
159.04431	3.1
163.03897	8.9
163.05048	0.9
169.05052	1.2
177.05487	2.2
181.04953	4.3
195.06593	1.5
300.23392	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0809
Annotation	EPIGALLOCATECHIN
Peak:m/z	Relative Intensity
51.14966	1.0
52.57185	0.9
55.01860	1.2
60.77448	0.9
62.41506	1.1
64.45323	1.0
64.54230	0.9
65.03935	1.9
72.43744	1.0
91.71566	1.6
91.99581	1.0
95.04968	2.1
107.04961	1.2
111.04416	1.4
121.02830	1.5
123.04454	2.6
131.04947	1.9
135.04393	2.6
139.03891	100.0
151.03877	2.9
163.03879	10.0
169.05023	1.8
177.05455	3.2
181.04958	5.7
195.06522	3.2
292.85681	1.5
293.95834	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	307.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77473	2.9
57.07062	4.8
58.22824	3.1
70.06578	14.5
71.08598	5.1
79.05517	4.4
81.07063	4.0
91.05486	4.6
93.03400	5.7
103.05451	6.0
103.99959	4.1
119.04957	8.9
129.07059	6.6
130.04158	9.0
134.40256	3.8
135.04407	76.1
147.04387	29.4
157.06429	5.1
159.04440	30.6
160.05194	19.5
178.07652	9.6
185.05974	9.3
193.10088	4.2
200.20151	6.9
202.07736	34.1
203.08521	69.9
221.09624	10.6
231.08049	67.0
244.22807	7.9
245.23108	5.0
247.21600	4.2
249.09114	29.1
258.81918	4.9
259.07532	27.4
261.09064	19.1
277.08588	51.3
289.08524	37.4
306.26324	26.6
307.09628	100.0
307.26755	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55678	3.1
54.05276	3.3
54.46127	2.5
59.67244	2.7
67.45673	3.0
72.29343	3.3
95.07740	3.3
112.80023	3.6
127.03905	4.4
140.96989	3.6
153.70378	3.7
153.88560	3.8
196.51753	3.6
245.11369	21.1
289.10443	51.4
307.11475	100.0
307.14923	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	307.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39826	1.8
70.15541	2.0
70.44332	2.2
76.84137	2.0
85.02891	2.8
123.06551	2.6
130.68755	2.2
130.74750	2.3
131.14713	2.5
154.43712	2.3
170.94548	2.4
201.29121	2.6
216.24098	2.3
277.14142	14.0
297.84006	2.5
304.12982	2.5
307.11685	5.9
307.15103	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1902
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.05507	6.2
67.05502	16.8
69.07048	6.4
70.06572	10.0
79.05479	7.8
81.03410	5.5
81.07055	14.0
83.08601	13.1
84.76769	4.6
85.42212	4.7
87.66203	4.6
88.07582	6.3
91.05482	22.7
91.71641	5.7
93.07037	26.1
95.04976	43.9
95.08599	12.0
105.07019	8.4
107.04963	19.1
107.08614	10.2
117.06981	8.7
131.04916	8.4
131.08562	16.5
132.10248	9.3
139.03897	26.6
145.10144	9.3
147.08043	7.3
149.09589	10.1
151.11292	4.8
159.08096	12.2
169.10133	6.1
173.09593	30.7
177.09187	12.7
191.10674	76.7
271.17081	13.4
289.17941	100.0
306.26349	13.2
307.18823	31.8
307.26736	17.4
310.35141	5.0
313.41293	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	307.2263
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
54.77076	4.6
55.05492	22.5
57.03426	28.6
59.03304	4.7
67.05177	7.1
67.05502	100.0
67.29764	4.3
69.07066	14.6
79.05492	46.0
81.07047	79.2
82.73902	4.7
91.05458	27.6
93.07036	65.5
95.04977	10.7
95.08602	65.8
97.06627	6.9
97.10187	5.5
105.07030	17.8
107.08615	21.3
109.10145	15.0
119.08591	11.3
119.58868	5.4
121.10171	20.6
122.04768	6.3
123.11684	7.0
130.63531	5.7
133.10117	9.6
135.05717	6.3
135.11688	11.4
159.11746	7.9
207.08586	7.0
307.22644	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2265
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
55.01857	7.6
55.05507	16.6
55.67928	2.3
56.67128	2.2
58.94337	2.4
61.09035	2.3
67.05486	12.5
69.07047	12.1
72.15332	2.4
77.10986	2.8
79.05478	8.4
81.07039	20.0
82.62291	2.3
83.08614	9.4
91.05460	6.6
93.07059	14.3
95.04966	10.4
95.08603	14.8
97.06531	5.2
105.07010	6.8
107.08571	6.2
109.06513	100.0
109.10131	4.2
112.06070	2.5
119.08604	7.2
121.10182	6.8
123.08079	5.8
128.03479	2.6
131.08586	4.8
133.10168	4.7
135.08044	3.6
137.05974	3.7
137.09669	4.5
165.12857	4.5
173.13255	3.0
219.30896	3.5
251.16490	19.0
283.28207	3.9
289.21695	9.4
295.79651	3.1
307.22641	83.1
313.55515	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2265
Annotation	Epiadejone
Peak:m/z	Relative Intensity
52.25600	5.0
55.01847	4.4
55.05496	15.5
57.07055	6.9
67.05488	22.4
69.07063	8.8
79.05493	6.8
81.07049	25.2
91.05470	14.4
93.07042	23.5
95.04934	6.6
95.08582	16.4
98.20586	4.7
105.07037	22.4
107.08570	26.9
109.06507	31.8
109.10155	8.4
119.08580	17.3
119.60361	4.6
121.06516	18.2
121.10171	6.8
123.08089	12.2
133.10127	6.4
135.08070	11.0
135.11707	6.3
145.10129	5.7
161.13242	7.1
163.11234	7.6
165.12743	13.4
165.20641	5.5
177.12720	8.0
251.16499	6.2
289.21567	100.0
307.22519	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2265
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
50.54581	2.1
55.01857	6.3
55.05499	12.7
57.07064	2.2
65.97784	2.0
66.05917	2.2
67.05493	18.2
67.06510	2.4
69.07043	14.4
74.07949	2.1
79.05479	5.9
81.07044	24.4
83.08607	6.4
85.06515	2.2
91.05486	6.9
93.07043	11.7
95.04966	12.7
95.08609	16.8
97.06526	7.4
100.30663	2.6
101.67891	2.6
105.07018	6.3
107.08610	8.1
109.06506	100.0
109.10140	4.2
119.08583	6.3
121.06506	4.4
121.10142	5.6
123.08047	5.8
123.11703	4.3
127.59280	3.2
131.08566	5.1
133.10094	3.6
135.08066	3.7
136.37224	2.5
137.05959	27.4
138.06329	22.0
139.03941	2.5
147.11668	4.8
149.09613	2.9
151.11151	3.5
159.11794	2.6
160.58687	2.9
165.12750	6.8
173.13318	5.4
251.16382	17.5
252.57602	2.7
289.21594	10.4
307.06393	3.0
307.22626	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
51.90967	3.5
53.03919	3.8
55.01849	5.7
55.05498	20.5
57.03438	26.1
60.04512	5.7
65.03927	4.6
66.43471	3.8
66.49967	4.1
67.05499	100.0
69.07046	16.4
79.05489	39.1
81.07053	77.2
83.08622	6.7
84.08328	4.0
91.05489	27.1
93.07047	59.5
95.04966	6.9
95.08596	51.3
105.07032	17.9
107.08588	16.7
109.10165	21.0
109.57841	4.1
117.07043	5.1
119.08611	8.3
121.10130	20.4
123.11660	6.6
131.08554	7.5
133.10141	10.6
134.94572	4.7
135.11710	16.4
137.06020	17.6
138.06308	9.5
140.87029	5.6
157.22470	4.8
159.11653	5.2
184.10934	5.9
300.58472	5.1
307.22647	67.5
310.14828	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	307.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	3.2
55.01861	3.4
55.05505	33.0
57.07067	22.3
67.05498	80.2
69.03417	2.9
69.07059	57.4
71.04971	7.3
71.08627	9.6
79.05473	21.1
81.07049	100.0
83.08607	38.0
85.06526	11.8
85.10172	6.5
91.05469	5.2
93.07038	29.3
95.04948	3.7
95.08593	87.3
95.09157	6.2
97.10157	29.9
99.71521	3.0
107.08564	18.1
109.10140	40.9
111.08089	14.1
111.11706	9.2
121.10124	24.1
122.88065	3.1
123.11669	17.4
135.11664	19.9
137.13292	6.9
139.30721	3.3
139.53473	3.7
149.13261	13.6
151.14850	4.6
209.19037	3.6
264.77939	4.3
265.75095	3.5
289.28848	21.2
296.80414	3.4
300.09933	3.6
307.30005	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	1.5
58.99572	5.0
60.04502	2.1
66.45273	1.9
69.07059	1.5
70.00309	1.8
70.06585	10.2
72.08138	2.2
76.02216	25.1
79.69731	1.4
83.16499	1.5
84.04498	19.6
84.08128	4.3
86.09717	8.3
91.05462	2.3
92.58115	1.6
104.05042	1.8
107.17490	1.8
110.07168	1.7
116.01672	4.5
120.08131	11.2
126.84906	1.7
130.04962	5.7
130.06523	82.9
132.04443	16.8
139.03889	2.1
140.04152	1.6
142.03226	2.5
144.01227	2.6
148.07556	25.5
158.05984	36.7
162.02223	7.1
176.07056	100.0
179.04886	7.2
180.31500	1.7
197.69586	1.7
204.06493	9.1
222.07616	25.3
225.78818	1.8
233.05939	4.2
273.60080	1.7
308.19339	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	308.0909
Annotation	Glutathione
Peak:m/z	Relative Intensity
53.15349	1.2
56.05028	3.2
58.99583	17.2
68.05019	1.1
76.02220	100.0
76.04005	2.5
77.00453	1.1
80.04997	1.2
83.06084	1.6
84.04495	52.8
85.02911	2.2
85.03925	1.2
86.06062	1.2
86.99024	2.6
88.02229	2.1
98.06652	1.4
100.02204	1.6
116.01676	21.4
127.39069	1.4
128.07204	1.3
130.05003	11.5
142.03221	8.1
143.89536	1.2
144.01155	7.2
146.35779	1.1
162.02190	30.0
170.02771	3.2
179.04842	36.0
187.05394	2.4
188.05537	1.3
233.05887	8.6
243.53517	1.5
263.11285	1.5
294.06494	1.6
304.59796	1.3
308.09137	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	308.1854
Annotation	4-Hydroxydendroxine
Peak:m/z	Relative Intensity
51.43671	1.9
53.03934	2.8
57.05078	2.1
57.07071	13.8
57.29786	2.3
60.04498	10.2
67.05467	2.3
69.07040	2.5
69.49943	2.0
77.24818	2.5
79.04932	2.1
79.05466	6.3
81.03406	2.7
81.07027	3.6
82.96590	2.3
85.06517	5.4
91.05508	4.4
93.07047	3.3
95.04955	2.8
98.06020	3.3
105.07044	4.7
106.09801	2.7
107.04932	6.1
117.06985	4.0
119.04836	2.6
129.07010	5.9
137.09624	6.0
147.08054	4.4
151.11165	4.5
152.55736	2.4
175.11244	6.1
189.12758	4.2
203.14272	4.1
231.13745	7.9
235.55740	3.1
244.67216	2.8
249.14948	4.3
308.14996	5.7
308.18518	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2217
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
50.15157	0.4
56.22951	0.4
57.07045	0.6
57.60291	0.5
65.03957	0.5
66.04709	0.9
68.86261	0.5
69.07049	1.2
70.61190	0.5
71.08614	0.9
72.95821	0.5
75.13818	0.5
75.91508	0.5
79.05456	0.7
81.07034	1.6
91.05455	0.8
92.37105	0.5
94.04170	3.5
95.08584	0.7
101.93701	0.5
122.03635	8.0
137.05969	100.0
138.06248	0.8
163.69824	0.5
172.16898	0.7
181.79436	0.5
184.16931	1.9
210.33319	0.7
245.76503	0.6
254.66795	0.6
254.93550	0.5
279.86307	0.6
291.23215	0.8
308.25873	1.0
318.73343	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82837	9.0
56.96570	34.6
57.03438	7.8
57.07067	27.4
60.11745	8.6
63.32196	9.9
66.23438	9.1
66.34542	8.2
67.73711	8.5
69.03455	26.9
70.95860	20.0
71.04993	26.6
72.93793	27.3
79.79278	8.5
81.03415	71.1
85.02914	30.4
90.94840	18.4
98.97595	23.9
100.77450	10.1
109.02912	41.7
111.98452	13.3
113.96389	55.2
116.98611	23.4
121.04210	10.7
132.95821	75.2
140.00218	24.0
146.97404	15.0
150.96928	34.0
154.99081	39.7
155.19128	12.2
155.97395	100.0
158.01286	15.6
167.97552	16.0
173.09613	13.5
173.98538	41.7
181.02902	16.9
182.35442	11.8
188.75354	11.4
188.98434	26.1
197.00070	92.7
205.04018	11.4
212.00082	19.1
215.99574	19.4
239.99640	15.1
258.00674	14.6
277.00000	14.6
286.78668	11.6
290.03314	32.0
301.08038	12.6
309.02563	87.9
313.96564	16.0
332.06818	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	309.0754
Annotation	6-Methoxyisopongaglabol
Peak:m/z	Relative Intensity
55.01851	4.1
64.89082	2.3
71.26006	2.2
76.43422	2.6
78.02371	2.9
79.05479	5.0
82.59234	2.7
91.05480	4.7
95.04942	4.7
103.05462	6.7
106.40770	2.6
107.04975	3.6
112.39425	2.8
115.05424	8.6
121.02869	12.0
125.18471	3.1
128.06219	3.8
129.07008	14.2
130.04129	7.2
131.04933	6.6
135.04410	100.0
145.06497	19.9
147.04445	5.9
157.06476	19.6
159.04425	8.6
160.05193	14.8
165.06993	6.9
169.06522	6.0
178.07809	15.9
179.08588	12.2
181.06490	5.6
183.08070	7.9
185.18193	3.1
189.06978	11.5
190.07765	8.6
194.07187	3.4
202.07768	3.6
203.08464	6.5
204.09404	3.1
205.10098	5.2
206.07210	3.9
207.08029	29.9
215.08571	9.0
218.07288	10.4
221.09608	8.6
232.08844	3.4
233.09647	13.0
234.06786	6.2
235.07481	27.8
236.07959	3.6
249.08990	5.0
253.08585	23.4
261.09045	20.9
263.06982	42.0
273.18127	3.2
279.10208	9.3
289.04800	6.8
291.06519	24.6
291.09756	5.3
309.07581	50.2
309.10983	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35439	0.7
51.39063	0.9
53.03935	2.0
57.03411	2.0
62.97632	0.9
65.03925	1.9
69.03419	6.9
71.05008	0.9
74.81583	1.0
76.68317	0.9
81.03399	17.1
85.02888	4.7
91.05467	15.2
97.02890	1.6
99.04456	2.0
109.02849	5.2
112.85995	1.0
116.26236	1.2
119.04930	28.6
127.03929	1.5
147.04395	100.0
148.99393	1.1
165.05357	1.9
205.65150	1.0
289.48334	1.2
291.08701	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	309.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51676	0.6
53.03943	1.6
57.03434	1.1
63.27215	0.7
65.03934	1.5
65.83587	0.7
69.03420	6.5
71.04974	0.8
80.45083	0.9
81.03405	19.8
81.03863	1.1
85.02877	4.6
87.99507	0.8
91.05467	13.9
91.05951	1.1
97.02868	2.0
99.04472	1.7
109.02856	4.7
119.04932	32.2
119.50447	0.8
122.74111	0.8
125.11221	0.8
127.03918	1.4
128.24356	1.0
147.04396	100.0
165.05540	3.4
209.61897	0.8
227.94223	1.0
291.08588	11.5
294.77264	0.8
309.09671	1.9
309.13177	3.4
333.35959	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01870	1.0
56.96578	1.2
57.03425	2.0
59.05002	5.7
59.05253	1.5
62.55705	1.1
65.03925	1.4
67.66949	1.0
69.03423	8.7
71.04984	7.4
71.47696	1.1
73.02893	1.9
75.04440	1.2
81.03403	16.9
83.04971	1.4
85.02895	20.6
91.05464	16.0
91.71659	1.7
97.02849	2.2
98.44509	1.2
98.50394	1.1
98.97543	1.3
99.04435	2.4
109.02885	4.7
119.04935	31.0
123.59682	1.1
127.03944	2.4
129.05478	3.4
147.04401	100.0
155.61299	1.1
165.05453	3.2
177.95084	1.2
291.08560	11.0
291.19507	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07060	86.1
57.07225	8.2
59.05004	14.9
61.89625	12.0
76.51660	10.3
79.05473	15.4
81.03397	14.9
85.02916	16.0
86.47639	10.6
91.05466	38.1
92.10560	10.5
92.23795	13.3
93.07051	13.5
95.04963	26.8
105.07027	29.8
107.04944	13.5
111.08072	100.0
119.08584	42.6
133.10150	53.4
135.11661	31.5
139.03925	18.6
143.08585	15.4
145.10127	50.7
147.08057	20.8
149.05986	71.8
161.09673	22.3
163.03851	14.4
163.11186	21.7
171.08011	21.6
173.09622	38.6
189.09099	20.2
191.10747	30.2
199.07573	24.2
217.08644	25.3
235.09689	25.9
294.08878	18.1
300.34210	14.2
309.06168	22.4
309.10138	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	309.0968
Annotation	Mikamicranolide
Peak:m/z	Relative Intensity
55.04825	8.4
57.07070	100.0
71.04988	16.9
75.43620	9.7
81.95750	10.9
83.04996	12.3
83.38416	9.9
85.02892	40.0
97.02982	11.8
111.08087	31.2
130.06612	10.5
191.10765	12.3
212.50734	9.7
225.25414	9.9
250.86765	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	309.112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.9
56.96555	5.6
57.07051	9.7
58.98582	2.5
66.78371	2.7
70.93301	2.7
79.05475	6.5
91.05431	6.9
95.04939	6.4
105.07031	7.4
133.06442	7.1
135.03374	4.8
135.04399	100.0
135.05359	5.9
137.05959	5.9
147.04355	7.4
155.04932	6.0
159.08063	4.9
161.05995	11.8
186.40526	3.1
187.07509	14.2
189.06946	8.7
190.07802	18.6
191.08543	70.4
205.06412	4.4
211.25964	3.6
218.07272	4.1
219.08052	64.1
247.07671	15.8
249.09091	53.3
249.11595	4.4
251.10706	10.9
256.65057	3.1
277.08588	40.8
279.10333	7.0
294.08548	5.3
309.11105	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	309.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69690	1.8
69.43019	1.9
70.98926	2.0
79.05499	4.7
91.05486	3.5
91.71011	3.7
95.04991	5.4
102.04692	2.7
103.05487	5.3
105.03394	3.4
115.05489	3.7
117.07046	3.9
119.95619	2.2
121.02922	6.8
122.97200	2.2
128.06282	2.9
129.07004	12.0
130.04201	6.6
131.04982	7.2
135.04419	100.0
141.07034	3.8
145.06462	17.4
147.04453	5.4
157.06487	21.7
159.04527	6.0
160.05173	16.2
165.07083	3.6
169.06522	4.0
172.98958	2.3
178.07828	9.6
179.08630	5.3
189.07069	8.1
190.07826	7.3
193.96001	2.5
202.07875	4.3
203.08647	7.6
205.10132	5.4
207.08037	13.9
209.99751	2.3
215.08652	8.6
218.07175	4.6
221.09703	9.8
231.08253	2.4
233.09723	9.7
235.07521	14.2
243.08289	2.3
249.09253	7.2
251.06851	2.6
253.08665	8.5
261.09201	9.9
263.06979	15.7
279.10144	13.0
281.11765	3.8
289.04993	4.7
291.06653	9.1
291.10217	6.7
309.07785	22.0
309.11130	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1119
Annotation	Sterequinone E
Peak:m/z	Relative Intensity
52.60117	0.9
58.97819	1.1
61.83166	1.0
71.04980	5.8
77.03934	1.3
78.66881	1.0
79.05478	3.8
90.42783	1.0
91.05479	2.3
95.04956	8.0
95.14002	1.0
103.05512	1.3
105.04498	1.4
107.04945	100.0
115.05482	2.4
119.04939	2.1
120.56219	1.1
121.06487	2.7
123.04354	1.3
128.06187	2.3
129.06989	8.7
131.04880	1.4
135.04408	13.4
139.05452	1.3
141.07008	1.5
145.06479	4.7
147.04337	1.1
153.07018	3.1
157.06490	5.2
161.05992	1.2
165.06950	1.8
173.06012	2.2
178.07785	1.4
181.06480	4.2
185.05968	48.3
186.06741	6.8
187.07503	6.6
189.06938	2.1
189.83835	1.2
190.07697	3.1
193.09978	1.4
197.05940	3.1
202.07834	3.3
203.08559	4.5
205.10179	2.9
206.07274	2.0
206.18085	1.2
207.08031	3.0
209.05934	1.6
211.07474	3.1
215.06854	2.7
215.08728	5.8
218.07243	11.7
219.08109	2.0
221.09593	10.0
231.08031	3.2
233.09618	17.5
234.06757	2.7
238.06291	3.7
239.06973	14.8
245.31166	1.2
246.06787	4.7
249.09068	4.3
251.06978	2.1
261.09100	12.2
263.18823	1.3
264.07788	4.9
265.08450	1.7
275.07001	3.3
276.07770	6.6
279.10092	14.2
291.10144	11.7
309.11133	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	309.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88222	1.1
51.47001	1.3
52.86116	1.3
55.01872	1.4
55.05502	2.7
56.05026	1.4
57.03423	10.0
67.05485	2.1
69.03415	5.1
70.36501	1.5
71.01330	1.9
71.04980	26.2
73.02899	4.4
75.04471	10.5
81.03407	2.6
81.07050	2.7
83.04961	6.5
83.65752	1.5
85.02895	100.0
87.04459	2.7
97.02887	5.1
103.03940	2.2
109.02888	1.6
111.04411	3.3
127.03899	4.3
129.05460	12.0
135.04347	1.8
144.46875	1.6
145.05002	2.9
145.33632	1.8
147.06525	6.9
152.60495	1.7
180.59187	2.1
188.09338	2.6
247.07631	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	309.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83016	3.0
57.07075	3.1
66.10709	2.7
67.05493	9.1
79.05477	4.9
81.07030	4.7
87.54343	3.0
91.05444	6.9
93.07055	4.5
95.08622	5.6
103.92704	3.1
107.04949	5.3
107.08579	4.6
107.67242	2.8
109.10167	4.7
110.68695	3.8
133.10155	5.0
147.04366	4.3
159.11758	3.3
174.24573	4.1
251.37030	3.4
273.18332	5.3
288.31903	4.2
291.19470	5.6
304.32950	4.5
307.80927	3.9
309.13065	100.0
320.70694	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.53439	8.2
51.59396	5.6
53.03925	8.4
55.01842	12.9
55.05505	67.8
55.89491	7.8
56.96533	8.6
57.07073	8.7
67.05496	86.5
69.07050	33.6
69.78174	8.1
79.05486	62.5
81.07046	54.2
83.04955	17.6
83.08589	18.6
91.05473	33.6
93.07040	73.3
95.08604	40.1
97.06477	8.8
97.10143	59.0
102.99097	9.8
105.07026	13.3
107.08586	40.5
107.44534	9.6
109.06499	13.6
109.10155	13.0
117.06991	8.6
119.08568	16.4
119.40044	8.4
121.10125	100.0
123.08080	39.8
125.09619	31.4
131.08594	14.9
135.04433	50.2
135.11630	9.1
137.09630	32.7
138.00117	8.9
147.04395	12.5
147.08141	9.4
157.06551	10.9
189.09737	11.3
189.11148	47.5
245.18965	11.3
273.18512	32.7
291.19461	96.4
309.11035	10.0
309.20566	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
54.21368	5.2
55.01860	9.8
55.05495	40.9
64.75143	5.7
67.05499	92.5
69.07045	43.4
71.04973	11.8
78.87953	6.4
79.05492	40.7
81.03380	7.8
81.07045	61.2
83.08606	100.0
85.02898	24.3
91.05474	66.6
93.07027	50.8
95.04955	17.0
95.08582	36.2
97.06507	8.8
105.07014	38.9
107.04910	9.8
107.08569	37.4
109.10146	17.1
111.08084	26.2
117.07032	12.3
119.08583	28.5
121.10158	28.6
129.06987	7.9
131.08559	22.6
133.10118	45.0
135.11674	35.4
137.09756	9.9
139.07550	24.9
145.10149	18.4
151.11195	19.3
157.08611	9.2
159.11639	8.9
161.09598	35.7
161.13211	7.6
175.09654	32.9
175.11183	29.1
179.10605	11.2
203.08667	12.0
210.67686	7.4
227.18149	10.4
231.08131	8.8
255.17279	9.6
260.08078	8.4
261.09103	8.5
263.19925	13.8
273.18442	61.9
277.08652	11.9
291.19473	97.8
292.64331	9.0
309.11038	12.4
309.20660	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	309.2059
Annotation	Albocycline
Peak:m/z	Relative Intensity
55.01845	6.0
55.05508	33.4
56.96566	5.1
57.03436	2.7
60.90553	2.9
64.41817	3.3
67.05502	19.6
69.03416	7.6
69.07056	15.5
71.04988	3.3
79.05481	13.1
81.07040	21.0
83.04986	5.9
83.08624	15.0
83.62065	3.1
91.05475	13.9
93.07052	11.1
95.04977	8.3
95.08598	8.2
95.33847	3.1
97.10159	26.3
103.46266	3.3
103.48318	3.1
105.07028	11.4
107.04990	3.2
107.08604	12.6
109.10122	3.2
117.06947	5.5
119.08540	6.3
121.10084	4.2
123.08081	7.5
125.09643	14.3
133.06514	5.1
133.10191	4.1
135.08099	4.0
136.06152	7.2
141.61800	3.5
145.10149	6.3
147.04381	5.3
147.08076	3.9
147.11592	3.5
149.09586	4.1
165.09074	3.9
177.05443	6.4
189.11388	4.7
221.55984	3.5
273.18396	8.9
291.19525	100.0
315.97095	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	309.2058
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.36127	5.0
55.01855	14.4
55.05510	31.9
56.61179	4.6
57.03434	8.5
59.32281	4.4
61.68671	4.8
65.03968	6.7
67.05491	84.1
69.07062	29.2
71.04984	9.6
79.05491	35.9
79.05864	6.3
81.07048	91.2
83.04958	19.2
83.08599	6.5
85.02882	7.2
85.06514	6.4
90.14056	5.9
91.05486	57.3
91.71364	10.9
93.07047	50.0
95.04959	14.0
95.08598	21.8
97.06533	7.4
105.07021	57.1
107.04919	8.0
107.08585	57.8
109.06542	8.3
109.10139	93.8
111.04482	6.2
111.08009	5.7
119.08543	11.1
121.06493	10.7
121.10162	11.8
123.08081	6.0
123.11686	11.3
131.08583	10.4
133.10136	100.0
135.07950	5.9
135.11725	9.3
136.06137	7.2
139.07588	7.6
145.10159	9.3
147.04416	15.6
147.08099	7.5
151.11212	48.1
169.12276	16.4
175.11105	8.4
245.19026	10.9
263.20374	7.3
273.18439	28.9
291.19458	40.7
309.20630	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	309.206
Annotation	Soraphen O
Peak:m/z	Relative Intensity
51.71244	8.9
55.01861	16.4
55.05490	27.1
56.96535	9.7
57.03425	46.3
59.71096	7.6
61.92289	8.3
65.83607	8.5
67.05501	69.6
68.34242	8.2
68.79847	9.6
69.03413	16.0
69.07053	30.8
71.04984	13.3
76.02214	11.2
79.05476	34.0
81.03424	12.8
81.07050	100.0
83.04984	12.1
91.05452	82.1
93.07042	77.6
95.04956	32.1
95.08611	63.1
97.06520	40.6
105.07012	62.3
107.04894	22.7
107.08596	50.9
107.26425	9.5
109.06462	11.1
109.10151	35.9
114.86619	10.4
117.06997	11.2
119.04904	12.9
119.08556	32.6
121.06510	15.3
121.10130	20.9
123.08085	17.9
123.11645	14.3
131.08583	27.7
133.10129	26.8
135.08073	19.3
136.06140	19.3
145.10143	19.1
147.04405	28.8
147.08089	12.7
147.11746	11.4
151.11192	24.6
157.10168	9.7
161.09633	12.4
199.09599	10.3
217.15775	13.7
273.18509	33.0
291.19565	32.5
309.20486	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	309.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35876	2.5
55.01844	5.2
55.05502	6.3
56.52234	2.5
57.03432	38.9
57.07064	5.9
65.03918	3.6
65.05881	2.1
66.68432	2.4
67.05492	38.9
69.07058	4.8
71.04983	5.5
79.05491	14.5
81.07039	16.6
83.08632	3.1
85.06532	35.9
86.39925	2.7
91.05486	13.3
93.07050	12.9
95.04961	46.6
95.08602	10.4
105.07052	7.0
107.08607	8.7
109.06514	42.6
113.05999	100.0
116.52686	3.1
117.06998	6.4
119.04983	3.4
119.08572	5.9
121.10161	3.3
129.06967	3.5
131.08578	6.5
133.10156	3.0
135.08032	31.7
135.11656	2.9
136.06229	6.1
143.08578	4.4
145.10181	3.6
147.04366	15.0
149.09665	4.6
157.10226	3.6
163.42220	3.1
181.58948	2.9
196.07408	2.7
201.11084	3.3
217.15935	9.7
236.24953	3.2
273.18411	13.7
291.19501	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.24
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56546	3.7
50.62299	4.0
55.05497	5.5
55.36914	4.1
56.20593	4.2
58.68060	3.7
61.89363	4.6
62.11149	3.8
67.05496	12.6
77.60988	4.8
81.03391	5.8
81.07040	11.9
85.64423	5.0
116.20979	4.9
118.86469	4.2
126.45639	5.3
136.06195	13.0
147.04384	14.2
225.71297	4.7
239.02170	5.9
309.23972	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2422
Annotation	Yaretol
Peak:m/z	Relative Intensity
55.01862	2.7
55.05507	16.1
57.07054	4.6
61.81367	2.7
67.05503	17.1
69.07059	21.7
71.04951	3.4
71.08620	18.8
79.05495	5.7
81.07038	29.0
82.65511	2.7
83.08610	8.9
83.13679	3.0
91.05487	6.8
91.26991	3.4
93.07014	21.9
95.04936	5.0
95.08579	19.8
96.08218	3.1
97.06517	5.2
97.10167	3.8
99.08092	9.1
105.07037	8.4
107.08595	12.4
109.06535	6.4
109.10152	6.2
111.08081	3.4
119.08627	7.8
121.10154	4.5
123.11754	4.2
133.10144	5.4
135.11705	3.9
149.13319	4.5
153.12791	3.8
153.91084	3.7
154.82312	3.3
165.12744	13.6
193.16020	4.6
197.34398	3.1
235.16829	3.6
291.23141	16.3
309.24200	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	309.2423
Annotation	Yaretol
Peak:m/z	Relative Intensity
55.05494	14.0
57.07066	6.0
65.23147	2.5
67.05490	20.0
69.07053	21.2
71.04973	5.4
71.08614	24.0
79.05468	13.0
81.07049	35.5
83.04962	4.2
83.08615	7.6
85.06587	3.6
91.05467	5.9
92.52087	3.2
93.07044	23.8
95.04974	5.2
95.08598	22.2
97.06501	5.9
97.10166	5.1
99.08069	9.4
105.07031	7.6
107.08591	16.3
109.06488	15.2
109.10134	9.0
119.08562	4.8
121.10096	8.2
123.11769	3.7
133.10162	3.4
135.11673	6.8
149.13243	4.7
153.12698	4.5
155.28525	3.5
160.10478	4.5
165.12744	10.4
171.11739	3.7
193.15915	4.5
200.94270	3.0
224.03423	3.4
291.23148	25.4
309.24200	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	309.2423
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
55.05504	32.1
56.96544	7.0
57.03444	30.7
67.05171	8.7
67.05500	100.0
69.07043	32.2
72.63083	5.7
79.05494	14.6
81.07048	96.8
83.08618	15.6
85.78483	6.0
88.27321	6.0
91.05473	21.5
93.07031	25.3
93.48003	6.2
95.08595	75.2
97.06512	10.4
97.10175	14.4
98.75567	6.3
105.07036	7.9
107.08579	10.8
109.10131	31.5
119.08590	14.2
121.10102	16.0
123.11701	16.4
133.10114	11.6
133.46890	6.7
135.11644	9.2
136.06206	10.8
137.13295	9.3
147.11670	11.7
217.19533	18.4
217.77182	6.3
233.09125	7.6
251.14009	7.0
275.64990	7.1
309.24210	79.6
334.51569	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	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
55.05503	30.8
55.91370	4.6
56.96538	8.0
57.03416	18.0
57.07061	6.1
67.05496	85.4
69.07053	41.3
72.05885	5.4
79.05477	12.0
81.07047	100.0
83.08615	19.5
85.55900	5.6
91.05469	21.0
93.07040	22.7
95.04983	7.1
95.08598	68.8
97.06552	6.2
97.10195	8.9
99.08082	5.9
105.07034	12.7
107.08669	9.1
109.10155	30.1
119.08606	11.4
121.10107	8.4
123.11742	8.9
133.10176	8.3
135.11705	9.2
136.06186	15.9
137.13264	6.8
147.04411	14.0
147.11633	11.4
182.82217	5.9
217.19516	14.4
221.51031	6.1
284.61066	6.7
294.98444	6.9
296.07391	6.7
306.93118	5.5
309.24109	63.7
328.17438	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	310.2377
Annotation	Melophlin M
Peak:m/z	Relative Intensity
51.51834	2.1
54.33093	2.6
55.05494	4.0
56.05017	6.0
60.04245	3.8
60.04521	51.1
67.05498	26.0
69.07047	5.9
69.91026	3.0
70.06566	3.5
73.01925	2.5
78.88548	2.6
79.05483	13.3
80.04999	6.9
80.66057	2.7
81.07042	19.6
91.05460	14.2
91.71044	2.9
93.07018	9.3
95.04967	2.8
95.08601	15.6
96.08103	3.4
97.06531	4.3
105.07002	2.8
107.08562	7.1
109.10162	3.6
110.10926	2.6
119.08595	3.4
121.10131	3.8
135.11736	4.0
253.22173	2.9
288.40897	3.2
292.22681	14.0
310.23752	100.0
333.85941	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	311.055
Annotation	Sterigmatin
Peak:m/z	Relative Intensity
56.96550	8.2
66.47051	6.0
66.80556	6.4
67.05496	8.2
72.95962	7.2
78.37654	6.8
95.08587	7.8
101.06014	30.0
131.84448	7.4
137.02351	15.5
137.05977	21.4
165.06926	16.4
177.49141	7.4
221.05936	47.5
249.05495	27.8
257.67874	7.6
265.04999	77.6
266.05713	100.0
267.06583	34.6
293.04434	57.9
311.05515	76.7
311.08948	14.4
311.12671	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	311.055
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	8.2
66.47051	6.0
66.80556	6.4
67.05496	8.2
72.95962	7.2
78.37654	6.8
95.08587	7.8
101.06014	30.0
131.84448	7.4
137.02351	15.5
137.05977	21.4
165.06926	16.4
177.49141	7.4
221.05936	47.5
249.05495	27.8
257.67874	7.6
265.04999	77.6
266.05713	100.0
267.06583	34.6
293.04434	57.9
311.05515	76.7
311.08948	14.4
311.12671	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	311.0912
Annotation	Hoslundal
Peak:m/z	Relative Intensity
53.48723	6.2
54.36924	6.0
55.01862	13.7
56.96539	6.0
58.35045	7.4
63.93687	8.0
67.92074	6.8
69.07071	8.1
87.43147	6.5
93.62424	6.7
115.05506	22.8
135.04501	19.6
137.06013	20.9
143.04973	19.0
144.05670	9.0
145.06523	14.2
147.04453	13.5
148.05156	43.9
165.07021	10.5
171.04385	47.5
178.07684	17.3
179.08594	19.5
189.07053	24.4
191.08751	12.6
207.08017	100.0
217.06644	10.5
235.07556	70.6
240.07939	26.3
251.07123	10.4
263.07153	30.3
265.08841	13.1
268.04611	9.1
268.07404	33.1
275.06970	45.1
283.09769	29.4
293.08054	71.2
311.09198	42.6
311.12888	20.5
326.48792	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1275
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
51.30097	1.6
53.72556	1.9
57.19587	1.7
59.78992	1.7
67.27899	1.8
67.84039	2.0
79.05511	2.5
82.36619	2.1
93.07035	3.1
94.04190	6.3
95.08607	2.2
107.04894	4.8
109.06510	6.2
110.68927	2.0
121.10128	10.8
122.03669	11.9
134.00931	2.0
137.05972	100.0
144.05722	2.1
167.10715	5.1
170.60378	2.5
172.05217	3.1
187.07542	23.5
190.07794	5.1
191.08507	12.4
208.08910	3.8
218.07323	2.8
219.08055	23.0
220.93748	2.4
233.09718	3.2
236.08405	4.6
240.07825	3.0
247.07535	11.6
248.08360	3.7
251.10597	11.0
253.08424	2.9
257.29449	2.5
261.09137	2.5
264.07709	5.4
279.10120	34.7
280.11182	4.3
281.07913	2.8
293.11749	3.7
296.10440	5.7
308.62747	2.5
311.12714	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75779	4.8
65.70464	4.7
73.07338	5.9
79.86768	5.3
80.56207	5.0
85.02959	5.7
91.05482	7.9
94.04243	6.3
95.70749	8.1
105.07061	18.2
107.41445	6.6
122.03631	14.8
133.06538	15.8
133.50294	6.4
137.05972	100.0
137.36978	6.2
149.06012	8.0
152.74814	7.3
159.08115	8.6
161.06041	24.2
187.07625	25.8
190.07823	24.1
191.08673	29.3
208.09032	8.1
218.07361	13.9
219.08038	58.3
225.16200	7.7
236.08423	10.8
247.07640	25.4
251.10692	60.0
279.10147	56.4
281.08060	10.3
311.12961	37.0
311.15549	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	311.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26475	1.3
71.23157	1.3
75.62296	1.4
81.82748	1.8
82.66417	1.6
91.71147	3.0
94.04166	5.0
107.04920	2.5
109.06513	4.2
122.03654	11.2
127.05556	1.8
137.05972	100.0
137.60541	1.7
142.96216	2.1
144.05699	2.5
149.05963	3.1
172.05202	5.0
187.07533	20.2
190.07819	4.3
191.08441	10.6
198.11472	2.1
208.08817	4.1
218.07265	4.0
219.08055	21.9
221.05768	1.9
233.09430	1.9
235.07428	3.0
236.08092	4.0
242.32655	2.1
247.07527	13.3
251.10629	12.5
253.08604	3.2
261.09140	2.1
264.07779	5.8
265.08453	2.5
268.07404	2.9
276.19553	1.9
279.10126	31.0
280.10898	4.3
281.08014	2.6
283.09631	4.7
296.10324	2.9
303.83746	2.1
311.12717	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1268
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
54.29352	3.1
57.07059	10.6
57.29966	2.9
65.20842	3.0
71.64080	3.8
75.81503	3.5
84.26851	3.2
94.04171	9.6
98.15050	3.7
101.64381	3.5
105.06997	4.4
109.06522	4.7
122.03660	10.5
137.05978	100.0
144.05707	5.2
187.07509	14.9
219.08095	12.4
231.46573	3.8
247.07547	7.7
251.10597	9.1
257.40829	4.0
279.10138	15.1
283.09659	13.3
305.03436	4.6
311.12634	24.8
311.18356	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	311.1275
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
59.75766	1.9
63.01021	1.8
64.41248	1.9
70.65733	2.0
86.42509	2.3
91.05485	2.8
94.04193	4.8
107.05011	2.5
109.06525	3.8
122.03701	7.9
137.05965	100.0
144.05714	2.5
149.06151	4.5
160.69435	2.2
163.48952	2.1
172.05188	4.8
174.82813	2.2
187.07503	22.0
190.07819	5.5
191.08522	10.9
200.37030	2.4
219.08058	16.5
233.58197	2.5
236.08356	5.6
247.07616	10.1
251.10497	12.8
264.07922	7.1
270.08890	2.7
279.10187	25.8
283.09769	5.0
296.10510	4.9
311.12622	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37305	2.5
60.15141	2.6
63.87917	3.0
75.23625	2.6
79.05467	5.9
89.67643	3.2
91.05481	6.0
93.07014	4.1
94.04183	6.6
94.09306	3.5
94.44778	2.7
96.66166	2.7
105.07014	9.2
107.04946	8.3
109.06506	6.6
115.05461	4.4
117.39743	3.9
122.03657	14.0
127.87640	3.4
128.06224	4.4
129.07063	5.8
131.81342	3.6
133.06448	4.1
137.05965	100.0
144.05692	4.0
149.05991	7.6
149.09605	4.8
155.04948	6.9
159.08127	4.9
161.05988	12.3
161.82643	3.2
165.06949	4.7
167.07144	3.3
172.05190	4.8
179.98312	3.1
187.07564	29.9
189.07089	8.5
190.07751	24.7
191.08545	51.1
202.07780	4.4
207.08046	4.1
208.08862	4.4
218.07285	12.7
219.08008	51.5
220.08841	6.2
235.07605	9.9
236.08365	13.9
247.07552	21.0
251.10631	68.4
253.08615	6.6
264.07870	9.5
279.10107	60.8
281.08112	9.9
293.08112	11.4
296.10379	7.3
311.09323	3.5
311.12680	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	311.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39585	3.0
56.86823	3.8
56.96560	28.0
57.03416	5.9
57.39152	3.1
59.04838	3.6
60.05642	48.1
60.95058	3.3
67.05494	4.3
69.03406	6.9
70.06583	97.0
71.04980	25.6
72.08133	5.4
80.69914	3.9
81.03398	8.1
82.25356	3.2
84.04485	15.4
84.08108	5.2
84.96024	6.1
86.03669	7.6
86.07217	5.1
87.07964	11.7
91.05456	4.9
98.06049	5.9
98.97565	22.8
109.02862	4.5
110.02676	4.1
114.10270	4.8
116.07064	9.6
116.98605	7.0
130.04948	3.7
130.09752	61.1
131.00160	4.0
134.99651	7.4
136.03931	8.3
136.07584	11.9
140.00186	13.2
147.04366	3.6
157.20424	4.1
158.01247	14.5
158.09247	5.9
164.03346	5.2
165.05469	8.0
166.01761	7.1
166.04961	7.0
170.01183	4.4
176.84662	4.2
181.02905	11.7
181.06442	5.1
182.08226	7.7
188.07085	8.2
199.02917	3.8
200.02289	4.5
206.08110	82.2
251.04300	6.0
252.08693	13.5
274.05905	10.4
276.09793	14.2
292.07059	5.6
293.05249	9.2
293.12402	4.8
311.06580	10.3
311.10281	3.6
311.13425	100.0
315.08865	10.6
334.08063	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	311.1851
Annotation	Cytosporin C
Peak:m/z	Relative Intensity
55.01860	2.4
55.05498	1.9
57.06804	2.3
57.07069	39.8
58.45217	1.3
61.99910	1.6
64.01004	1.4
64.57037	1.5
67.05489	3.0
68.99784	4.3
71.01352	2.6
74.59502	1.5
81.07066	1.5
82.05042	1.5
83.04962	11.6
91.78933	1.8
93.07039	3.3
93.86420	1.8
97.06538	2.8
101.02395	2.0
107.04961	4.9
107.08642	1.7
109.02879	6.3
111.04424	23.2
121.10120	1.7
125.05991	7.5
129.54613	2.1
135.04442	4.6
141.09160	2.3
145.33807	2.0
149.65076	1.7
153.05481	18.9
163.11209	4.8
167.65274	2.4
170.71133	2.0
181.04993	4.2
181.12221	10.6
191.10645	13.1
209.11707	100.0
237.11194	75.9
249.89246	1.8
255.12241	21.8
293.17624	9.4
311.18530	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	311.2214
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
50.87359	4.4
55.01854	7.1
55.05504	31.0
67.05486	68.2
68.62784	3.9
69.07051	36.3
71.04984	14.9
79.05478	33.2
81.06590	8.2
81.07046	81.9
83.08610	21.3
85.06501	6.7
88.57492	5.1
91.05466	25.0
93.07033	51.8
95.04924	5.6
95.08602	61.4
97.06554	11.1
97.10171	7.3
99.23764	5.2
105.07034	22.3
107.04991	6.0
107.08582	22.1
109.10154	22.5
111.08073	5.4
117.07001	9.9
119.08564	12.8
121.10165	25.7
123.11708	5.3
125.09613	6.9
131.08577	12.8
133.10109	18.2
135.08128	7.2
135.11697	9.0
139.11214	6.5
145.10138	12.5
147.11650	10.8
149.09637	10.4
153.09058	13.5
157.10150	5.5
159.11635	7.2
161.02461	5.4
163.11096	6.1
167.10664	10.2
177.12732	6.1
187.13338	5.9
187.48151	5.7
233.08514	6.3
233.51408	6.0
239.17970	8.9
257.19067	17.7
265.21655	13.2
275.20001	64.1
293.21091	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.05378	9.6
55.05504	19.6
56.96545	13.0
67.05491	50.2
69.07073	21.2
74.25939	9.3
79.05494	19.4
81.07053	73.6
83.08611	15.3
91.05471	73.9
93.07036	46.5
95.08593	52.0
103.02930	10.8
105.07038	35.2
107.04958	41.8
107.08602	20.9
109.10123	15.9
111.96848	11.3
117.07034	30.3
119.08623	27.0
121.10195	20.5
131.08513	25.0
133.10139	36.2
135.60240	12.0
137.06020	12.7
149.09624	17.4
149.78638	13.4
163.11104	14.1
179.46555	11.6
275.20038	100.0
293.21179	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	311.2214
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01860	9.1
55.05499	33.5
56.83109	3.2
62.31866	3.2
67.05489	66.9
69.07059	36.6
71.04980	12.7
79.05480	40.1
81.07046	100.0
82.45052	3.7
83.04951	7.2
83.08601	16.0
85.06526	8.3
91.05466	25.1
91.71624	3.7
93.07034	48.9
95.04976	5.1
95.08596	71.3
95.61033	3.7
97.06532	8.6
97.10168	16.1
100.22403	3.6
105.07019	19.2
107.08580	24.2
109.06596	4.7
109.10136	23.6
117.07029	7.5
119.08577	11.4
121.10121	28.8
123.11732	9.4
125.09583	7.5
131.08583	13.9
133.10138	18.2
135.11688	12.2
137.09613	6.7
145.10107	10.8
147.11705	9.4
149.09659	4.5
151.11226	4.9
153.09132	13.2
159.11676	6.1
167.10718	9.2
173.13278	6.6
177.12740	5.6
189.11194	5.6
247.20479	4.9
257.18799	6.9
265.21506	12.2
267.33444	4.6
275.20074	54.5
287.02853	5.2
293.21060	95.6
293.24118	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	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
55.01867	4.5
55.05256	6.9
55.05502	84.0
57.03428	30.1
57.07068	34.0
66.74402	4.2
67.05485	18.7
69.07063	93.6
70.89582	3.8
71.08611	21.2
72.10156	4.8
79.05430	5.0
81.07040	22.2
82.14539	4.4
83.08614	72.7
88.33374	5.2
91.05425	5.5
93.07021	14.1
95.08605	17.0
97.06536	6.7
97.10158	44.5
97.86789	4.7
107.08580	6.2
109.10143	7.9
111.11704	17.5
121.10139	12.3
125.02202	5.0
135.11613	6.4
136.16963	5.6
149.13237	5.9
149.21736	4.3
149.75748	6.7
151.85730	5.9
311.25772	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.00285	2.1
54.26706	1.7
55.01870	39.8
55.05503	24.3
57.03432	16.6
57.07070	12.9
59.39573	2.0
67.05481	10.4
69.07061	33.0
71.08613	8.8
73.02909	56.5
79.05487	5.2
81.07056	15.0
83.08614	24.8
85.10133	3.2
91.70949	2.6
93.07017	5.9
95.08591	11.1
97.06506	2.4
97.10170	14.3
107.08571	6.0
109.10179	3.6
121.10118	7.6
129.05527	3.9
135.11705	4.1
212.58052	2.8
255.23094	3.9
311.25784	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	26.6
55.05501	30.5
57.03418	15.6
57.07058	17.1
57.97000	4.6
67.05482	15.9
69.07056	32.7
71.08614	5.1
73.02903	41.0
74.35947	5.4
79.05458	6.6
81.07037	13.3
83.08611	27.4
93.07021	9.2
95.08601	12.3
97.10164	14.6
101.13441	4.7
101.68291	5.0
106.06053	5.6
121.10103	6.0
121.26441	4.8
149.13156	6.1
154.29843	5.0
161.33926	5.0
198.56393	5.6
237.22340	8.1
311.25781	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2579
Annotation	AS 183
Peak:m/z	Relative Intensity
53.03922	2.2
55.05508	26.1
57.03420	6.5
57.07072	19.4
63.63012	2.3
64.65799	2.1
67.05488	10.6
69.07055	39.2
71.08614	8.4
71.38429	3.0
74.32738	2.6
79.05476	6.9
81.07052	9.3
83.08624	21.8
85.10207	4.4
93.07044	5.2
95.04966	20.3
95.08591	8.9
97.10169	16.2
102.56470	2.8
107.04949	100.0
107.08598	4.0
111.11747	2.9
121.10149	4.2
135.11699	2.9
153.05597	3.2
161.35690	3.0
209.13034	2.8
213.27289	3.0
235.20038	3.2
282.86182	3.2
293.24789	9.8
311.25766	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	311.2577
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
55.05504	64.5
57.03441	17.1
57.07073	30.9
58.54106	6.2
67.05499	12.8
69.07053	78.6
69.07359	6.0
71.08627	20.5
79.05475	11.7
81.07053	13.2
83.08613	67.8
85.10178	13.2
93.07054	7.6
95.08639	10.8
97.06577	6.3
97.10151	40.5
107.99014	7.0
111.11737	7.8
235.08266	7.7
237.41087	7.8
311.25732	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
55.05506	63.4
56.96544	8.4
57.03435	37.9
57.07066	37.1
62.34024	5.8
66.37825	6.2
67.05489	48.7
69.07062	77.0
71.08624	16.8
79.05499	9.2
80.43519	7.0
81.07055	56.3
83.08614	47.8
87.88317	7.3
90.89348	6.5
93.07045	18.4
95.08593	47.2
97.10172	35.4
107.08583	12.3
109.10163	18.6
121.10152	15.6
136.18201	8.7
144.53902	7.6
149.13203	9.6
209.11736	9.4
237.11217	10.9
293.21017	13.8
311.25775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
55.05508	75.9
57.03424	27.2
57.07055	33.8
67.05486	39.6
69.07056	84.7
71.06747	7.7
71.95027	8.9
79.05489	13.3
81.07048	36.4
83.08613	50.0
87.09618	9.0
95.08608	33.6
97.10171	29.4
107.08607	20.3
109.10167	17.2
109.24421	9.0
121.10152	17.4
135.11732	11.8
137.53041	10.4
138.91286	10.7
149.06046	10.9
209.11702	12.9
237.11279	16.1
283.71057	14.7
311.25739	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16135	0.9
50.88954	1.1
51.37746	1.1
55.05508	8.5
57.07058	4.7
67.05499	14.6
67.46091	1.0
69.07061	10.5
71.08614	1.8
79.05489	7.7
81.07049	16.0
83.04966	3.2
83.08611	6.0
91.05453	6.5
93.07037	7.8
93.37822	1.2
95.04947	6.7
95.08591	11.1
97.06516	5.5
97.10165	2.3
105.07031	4.3
106.79070	1.2
107.04949	100.0
107.08575	6.5
109.06517	5.2
109.10149	4.6
111.04483	1.3
112.06956	1.2
117.06982	2.5
119.08537	3.0
121.06496	5.0
121.10135	3.6
121.35592	1.4
123.08070	4.9
123.11784	2.0
126.27090	1.4
131.08578	4.4
133.10141	4.3
135.08069	2.2
135.11711	3.2
138.92883	1.3
149.09641	2.1
149.13260	1.2
173.13214	2.2
178.92026	1.3
209.11792	4.3
237.11201	2.7
275.23715	7.9
293.17569	1.5
293.24796	8.5
311.25790	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	312.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65169	0.7
57.03424	1.9
59.04981	3.7
69.03418	1.9
69.07057	40.1
73.06545	3.5
74.92633	1.1
76.27885	1.0
81.03387	1.1
85.02898	5.0
87.08102	3.3
97.02889	1.2
97.06524	1.9
115.07559	100.0
133.08592	17.1
141.00417	1.1
147.23615	1.1
156.10271	1.3
219.93324	1.1
236.08234	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53392	1.8
55.05492	6.4
56.05017	6.5
60.04520	43.9
67.05493	15.2
68.04998	2.3
69.07040	9.0
72.04469	4.1
74.06106	3.0
74.46601	3.0
76.71004	2.3
79.05466	5.9
80.05009	5.0
81.07047	18.8
82.06554	4.0
83.08598	6.7
91.05461	2.5
93.07012	6.8
95.08591	16.4
97.10143	3.6
109.10148	5.4
121.10150	3.8
135.11615	2.8
158.67509	2.7
166.19948	2.4
243.40248	3.0
276.23404	3.5
294.24350	16.1
312.25266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93600	2.7
55.05501	13.7
55.56707	2.3
56.05011	7.7
56.31039	3.3
57.03430	3.6
58.02941	3.3
60.04521	27.1
67.05501	27.3
68.51842	3.0
69.07052	12.0
72.04512	32.2
78.16668	3.4
79.05466	10.0
79.35215	3.1
80.05008	4.0
81.03425	9.4
81.07047	28.2
83.08601	6.0
84.04475	6.9
91.05482	4.2
93.07038	10.1
95.04954	4.2
95.08595	30.2
105.07045	3.5
107.08603	4.6
109.10161	6.4
119.08615	4.0
170.58540	3.3
266.71881	3.1
276.23126	4.9
277.21649	5.0
294.24237	100.0
312.25299	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	312.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.8
55.05496	18.3
55.99554	2.8
56.05021	12.4
57.03449	3.6
57.07067	3.0
57.59029	3.0
58.02949	5.1
58.47555	3.0
60.04524	28.6
63.37537	3.8
66.37962	3.0
67.05495	29.7
69.07051	18.3
70.21870	3.0
70.80920	2.9
72.04503	30.9
74.06087	3.6
78.64403	3.6
79.05470	7.7
81.03387	6.3
81.07037	31.1
83.08615	9.7
84.04495	6.9
84.08121	3.6
85.06509	3.5
91.05486	4.8
93.07036	10.4
95.04989	5.6
95.08598	26.3
105.44677	3.4
107.08601	5.7
109.10163	7.6
113.19623	3.5
116.37347	3.7
121.10188	6.2
123.11662	4.1
127.88748	3.2
148.22433	3.6
171.22746	3.6
199.85301	4.1
276.23218	5.1
283.94055	4.3
294.24255	100.0
312.25278	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	313.0704
Annotation	3-Hydroxy-4-methoxy-8,9-methylenedioxypterocarpene
Peak:m/z	Relative Intensity
50.80710	2.2
56.96564	3.6
64.90321	2.7
67.05494	5.3
69.07021	3.6
72.08147	15.7
72.94400	2.7
74.12167	3.0
91.05433	4.0
95.04961	4.7
105.03327	4.6
123.04421	100.0
135.04401	6.6
144.76035	3.4
163.03905	12.7
191.03357	44.4
197.83304	3.6
267.06555	3.8
311.59396	4.0
313.07114	40.1
313.10574	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	313.0704
Annotation	Ochrolide
Peak:m/z	Relative Intensity
55.01854	4.7
65.03931	5.0
74.49657	2.0
107.04946	7.4
111.04453	3.1
121.02850	43.0
121.03699	3.8
121.04056	2.2
152.06137	11.6
153.06992	11.4
154.07793	3.0
157.10178	2.2
165.06950	6.4
168.05638	3.8
169.06462	9.7
170.07253	19.7
175.03856	9.8
180.05728	6.1
181.06470	29.5
182.07230	27.3
183.08015	3.9
185.09651	8.7
195.08072	10.7
197.06033	14.1
198.06728	32.5
199.07426	2.7
211.07616	3.4
213.09079	100.0
225.19505	2.5
226.06201	43.2
240.07819	5.2
241.08551	9.3
251.06989	4.5
252.04213	2.9
257.07983	2.8
269.08047	89.6
280.03711	3.7
295.06033	17.2
313.07001	98.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0705
Annotation	3-Carboxy-6,7-dihydroxy-1-(3',4'-dihydroxyphenyl)-naphthalene
Peak:m/z	Relative Intensity
52.78705	1.9
52.85321	1.7
53.96782	2.0
65.57561	2.2
81.03407	4.9
104.96102	2.3
109.02878	5.2
126.65812	2.4
131.04895	4.8
137.02351	10.9
141.47676	2.4
143.41327	2.3
152.06230	3.6
153.07007	2.3
160.05188	19.0
161.05966	2.6
165.06979	5.0
166.07848	3.1
167.08525	4.2
167.17908	2.8
176.06157	7.8
177.06989	10.8
181.06451	21.7
195.08070	9.8
205.06451	38.9
221.05983	27.7
223.07509	100.0
233.05945	19.6
234.06798	5.1
249.05476	21.7
251.06996	82.8
267.06512	3.3
269.08047	49.7
271.91525	3.2
277.04996	14.8
295.05936	45.2
313.06973	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	313.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62612	7.4
60.40845	8.9
60.49008	8.2
68.94328	8.5
75.48983	9.2
76.75329	9.2
83.08604	11.8
91.41017	9.6
95.12749	11.2
100.11209	12.2
131.04895	11.3
137.02354	31.6
137.06041	25.5
160.05234	16.2
163.03947	16.8
165.07100	17.1
174.87865	10.4
177.07043	16.6
181.06528	15.5
188.21405	10.5
191.35846	10.2
202.77716	13.0
205.06525	34.1
221.05847	25.1
223.07497	79.3
233.05850	13.2
249.05466	34.6
251.07028	63.8
269.08035	26.4
277.05069	16.6
295.06085	31.6
313.07114	18.9
313.12802	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.9
56.69421	3.0
69.03406	3.4
70.49880	2.8
81.03408	5.3
81.07050	3.8
85.02861	11.2
89.66802	2.8
95.04977	3.8
97.02879	5.5
97.10143	4.2
117.20350	4.3
127.03881	3.4
137.05980	4.5
151.63257	3.6
152.06230	4.7
160.05183	20.9
166.44185	3.3
167.08546	5.2
176.06227	5.6
177.07016	13.3
181.06479	16.6
195.08076	4.5
199.31534	3.7
205.06458	42.2
221.05960	24.4
223.07518	100.0
233.05991	16.4
234.06720	5.1
242.38736	3.8
249.05357	22.5
251.06999	78.4
261.57516	3.8
269.08060	48.0
277.04932	10.3
295.05978	47.3
313.06995	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	313.0705
Annotation	3-Hydroxy-4-methoxy-8,9-methylenedioxypterocarpene
Peak:m/z	Relative Intensity
56.25124	1.8
56.96544	2.5
57.07072	2.1
57.60453	1.7
67.05470	2.6
67.62762	1.9
69.03387	1.9
73.63158	1.9
79.05468	2.6
84.51673	2.0
88.83887	1.7
89.03926	2.1
91.05464	2.7
92.12406	1.9
95.04955	3.7
95.08619	2.4
99.82178	1.7
103.03835	1.9
107.04948	2.3
113.09685	2.0
113.58006	1.8
123.04417	100.0
135.04401	4.9
137.06021	2.9
147.04459	2.2
151.03925	4.3
163.03899	9.0
191.03378	57.7
209.83804	2.1
223.07530	4.8
243.06590	2.9
249.05269	3.2
267.06430	2.5
295.05908	3.2
313.07040	57.3
313.10675	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	313.1066
Annotation	Cabreuvin
Peak:m/z	Relative Intensity
56.96558	5.2
57.07086	4.2
58.85481	4.8
65.61984	3.8
66.83604	4.4
76.61703	5.0
76.98376	5.2
79.05473	29.4
81.07040	6.4
92.02608	24.2
103.05459	7.5
107.04948	35.3
122.03642	6.6
135.04417	54.0
137.05966	61.5
160.05132	7.1
163.02646	9.1
163.03897	74.8
177.05457	24.7
181.06456	9.8
189.05492	7.0
204.06573	19.1
205.06479	10.5
221.06006	8.9
223.07552	23.8
227.63896	5.1
247.46191	5.6
251.07005	22.5
269.08047	9.4
277.05103	6.5
295.06024	11.3
313.07156	11.3
313.10678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1069
Annotation	67858-30-4
Peak:m/z	Relative Intensity
57.25450	4.0
65.03951	6.0
69.26289	4.9
72.08159	18.9
80.53596	4.2
91.05492	5.1
91.71652	5.7
103.05505	14.6
105.07033	9.4
121.02859	84.9
121.03793	5.7
123.04482	16.7
125.90007	4.9
131.04947	11.1
133.06451	5.7
137.06067	5.7
145.06450	5.3
149.06006	11.8
151.03906	5.0
161.05986	13.1
177.05551	14.8
187.03902	12.1
189.05513	31.4
191.03450	7.5
191.07079	21.2
207.08136	20.3
219.06551	28.7
226.55177	5.2
228.06590	9.0
235.07603	21.6
253.08493	6.9
267.10114	25.6
273.16739	5.8
313.07208	9.5
313.10623	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1069
Annotation	Sideroxylin
Peak:m/z	Relative Intensity
50.18570	3.5
53.91559	4.0
56.96553	6.4
57.07062	5.5
62.06257	4.9
68.24137	4.8
69.77266	3.9
79.62570	4.3
81.07033	9.6
112.94338	4.1
119.06630	4.7
123.04485	5.0
132.98633	4.4
135.04417	7.0
152.06155	4.8
165.06975	40.1
166.07802	22.0
170.15521	5.3
177.06969	8.1
178.07732	9.6
179.08630	7.7
185.06046	4.9
193.06543	10.6
194.07253	47.2
198.14975	7.6
205.06497	20.4
210.06787	6.5
221.06042	20.5
222.06772	26.6
223.07550	7.2
237.09081	20.1
250.06302	5.6
251.06856	5.4
265.08554	60.9
280.83252	5.5
283.09653	36.0
295.06363	5.6
295.09567	100.0
306.08582	5.2
313.07248	8.0
313.10675	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	313.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00037	1.4
61.01139	7.3
71.04919	2.0
72.04511	5.6
78.03775	16.3
95.04953	11.1
102.03748	24.5
109.23962	1.7
116.56006	1.8
120.04813	2.5
123.04431	56.4
131.06378	14.7
132.04781	10.4
149.07436	100.0
149.52226	1.8
165.05463	9.9
182.69037	1.7
276.03415	2.0
296.46121	2.1
313.12418	2.6
313.42828	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1544
Annotation	Phe Phe
Peak:m/z	Relative Intensity
60.59863	0.5
78.94072	0.5
91.05445	0.8
93.07047	2.6
95.04955	0.8
103.05456	6.9
120.08096	100.0
123.08044	0.7
143.29904	0.5
166.08635	3.4
202.12299	0.6
313.15604	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	313.162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22859	1.1
55.05495	1.1
56.96559	1.3
58.40830	1.1
72.08141	1.1
75.98933	1.5
79.05466	1.2
80.33739	1.4
85.02864	1.1
87.04460	1.8
90.45711	1.1
91.05444	2.2
95.08578	1.3
121.06520	1.7
125.84093	1.5
130.12384	1.3
144.60791	1.3
163.26373	1.3
185.04257	1.6
186.13768	1.2
274.05029	1.4
313.16187	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61227	38.6
60.08157	47.3
72.39812	43.6
72.78860	47.7
78.26787	45.4
91.05499	87.3
91.71002	94.2
133.06506	48.5
150.10440	52.4
178.34036	44.2
201.12862	61.8
227.06160	55.7
296.01450	68.1
312.32794	75.6
312.36108	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96543	4.3
57.07072	2.7
67.81967	2.1
72.50973	2.8
81.07045	6.5
85.79604	2.4
110.96793	3.0
239.94077	3.4
302.40689	3.3
313.23441	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10142	6.9
51.51147	7.2
51.87324	9.1
55.05490	10.4
56.37188	8.2
57.03422	25.9
57.07069	90.1
60.04498	7.8
61.50489	8.8
64.55995	7.7
67.05500	20.2
67.89706	8.8
69.07057	21.7
71.08617	57.6
81.07052	25.3
83.08596	23.8
85.10169	24.0
89.06081	9.8
89.16282	8.3
89.48647	8.1
90.05560	12.2
93.07077	10.3
93.29736	9.5
94.15649	8.7
95.08591	39.3
104.66637	9.4
109.10110	13.9
198.53163	11.9
242.37656	10.6
313.27371	100.0
313.32849	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92358	9.3
55.05481	10.7
55.27594	9.3
57.03422	25.1
57.07060	91.3
59.14250	9.0
63.18684	13.0
67.05496	32.6
68.48837	10.0
69.07035	20.8
71.08621	42.4
78.08842	11.5
81.07040	25.2
83.08598	18.1
85.10174	17.6
95.08605	24.0
101.18951	10.8
102.86781	10.5
104.10773	16.5
109.10144	25.5
110.73637	13.0
112.46892	11.8
313.27371	100.0
320.55875	13.5
331.59726	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	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	16.5
57.03430	36.5
57.07074	100.0
58.64511	10.1
59.03278	9.8
67.05502	27.4
68.83454	10.8
69.07038	24.6
70.76068	11.3
71.08632	59.5
76.45055	9.3
81.07056	24.1
85.10172	24.2
86.91579	10.5
95.08609	25.4
109.10162	19.7
113.80541	10.3
118.35956	11.3
137.48474	13.5
184.64345	12.5
297.79498	13.1
313.27374	96.6
331.29886	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	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51227	4.8
55.05511	14.8
57.03424	23.9
57.07068	79.2
67.05492	18.8
69.07066	17.6
69.72857	4.7
71.08622	60.4
74.40775	5.2
81.07051	20.8
83.08611	15.5
85.10168	30.7
89.05984	6.4
89.89155	5.3
95.08603	37.9
109.10150	14.9
123.11720	9.1
143.52924	6.3
228.45206	7.5
229.74532	6.9
295.01099	8.2
313.27304	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08163	3.0
50.36282	2.5
51.13167	2.2
55.05245	2.5
55.05502	7.0
57.03426	25.6
57.06800	4.7
57.07070	79.1
58.89203	2.6
66.52050	2.4
67.05491	13.6
69.07059	13.3
70.61347	2.9
71.08621	57.5
78.85838	2.7
81.07051	22.1
83.08600	15.4
85.10160	24.4
95.08601	24.1
96.42197	3.0
97.10147	8.5
109.10149	10.0
123.11672	3.6
128.84459	3.5
178.38306	3.2
274.82272	3.7
298.27335	4.8
313.27353	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02415	3.1
54.81192	2.7
55.05500	11.9
57.03434	24.5
57.06797	5.8
57.07066	79.7
57.94207	3.2
62.41991	3.0
67.05516	15.8
69.07050	14.9
71.08624	44.8
75.64272	3.3
76.35540	3.1
81.07043	17.9
83.08611	14.3
85.10190	23.9
91.71104	3.9
95.08590	23.8
97.10175	5.3
109.10143	11.6
123.11674	9.0
187.78152	3.6
257.24673	5.1
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	313.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69322	7.7
51.34845	7.8
53.80214	7.4
55.05503	43.4
56.55569	7.1
56.96553	12.3
57.07076	50.0
57.07301	6.5
61.14821	7.7
67.05497	37.0
69.07052	91.9
71.08620	26.7
81.07047	100.0
83.08595	48.9
85.10200	14.5
95.08595	73.1
97.10184	37.0
105.94279	8.8
109.10168	42.4
111.11710	31.5
123.11700	22.9
125.13223	10.3
168.58321	11.8
182.33476	10.7
208.59323	14.5
214.73399	11.1
284.25153	11.1
302.97571	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	314.1227
Annotation	N-methylanthraniloyl-beta-D-glucose
Peak:m/z	Relative Intensity
58.06578	1.9
65.03954	2.8
67.05482	2.9
69.03413	5.7
73.02881	2.5
73.24090	2.1
80.19277	2.2
85.02909	4.7
97.02878	5.0
106.06606	2.7
108.08105	100.0
113.24573	2.1
121.06488	13.6
123.06816	6.8
124.07580	16.0
134.06027	7.6
136.06192	3.1
136.06544	3.7
136.07552	29.5
152.07062	58.9
154.08701	2.8
178.28389	2.4
298.71860	2.5
314.12332	59.8
314.15958	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	314.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38917	0.5
69.03409	2.0
70.21449	0.5
82.61002	0.5
85.02898	3.0
90.23811	0.6
91.05477	3.6
93.07027	7.8
93.25324	0.5
95.04951	1.4
97.02876	1.1
103.05453	3.9
108.08099	1.6
121.06496	100.0
121.75826	0.6
122.06779	0.6
127.03911	0.6
152.10709	5.6
186.23100	0.6
230.03415	0.7
314.12311	1.3
314.15915	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	314.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88319	2.7
55.05505	3.8
56.05023	9.3
56.96558	6.8
57.93720	3.3
67.05504	6.0
70.06585	100.0
71.07348	7.3
72.08141	16.0
79.05485	14.9
81.07062	22.6
81.07452	4.4
83.04979	6.4
83.60602	3.2
84.04506	8.8
84.08141	7.6
84.91876	3.1
86.09710	7.2
91.05475	4.2
93.07040	28.3
95.04954	3.7
95.08633	3.7
96.08113	6.3
97.02911	4.5
98.97617	6.3
105.07043	7.2
108.04433	3.2
110.07168	3.5
118.40134	3.5
119.08665	4.2
121.10141	8.5
122.10917	6.7
131.04919	4.4
138.12802	14.7
139.13535	7.4
140.00200	4.8
169.13307	21.8
177.09384	3.5
181.02855	7.5
197.12927	13.0
218.01244	4.2
236.02275	4.7
314.05447	9.2
314.12784	3.0
314.15921	81.1
314.19205	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	314.2689
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
55.05503	15.7
56.05027	6.6
57.07058	4.3
60.04507	14.8
66.11228	2.7
67.05495	22.3
68.05904	2.7
68.72284	2.9
69.07059	18.6
70.97993	2.9
72.04502	13.3
79.05487	11.5
80.05032	4.5
81.03410	17.7
81.07050	18.5
83.08597	7.0
84.04512	8.2
91.05467	5.0
93.07021	9.3
95.04965	4.9
95.08615	17.2
96.04484	7.8
97.56369	3.2
98.06059	3.1
98.65427	2.8
98.84337	3.3
100.64771	3.8
105.07047	4.0
107.04964	4.7
107.90173	3.0
109.10164	4.1
121.06508	3.7
121.10168	5.8
124.62280	3.4
131.08649	3.0
203.88513	3.7
209.48396	4.3
212.19020	3.3
279.23248	10.7
296.25812	100.0
314.27106	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	314.9884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66832	3.9
54.20614	5.2
56.96549	6.3
63.35092	4.4
75.11224	4.6
75.50699	4.5
96.35661	5.2
105.69590	5.0
190.94870	27.0
208.95894	45.8
213.96512	11.0
231.97626	34.2
232.96027	21.5
249.96147	6.9
250.97037	19.2
254.99213	22.7
255.97449	27.0
272.97858	21.0
273.98761	32.5
291.97220	10.2
297.00195	39.8
314.42667	5.8
314.98792	100.0
315.07138	7.5
334.97693	7.6
338.01511	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	315.0861
Annotation	Ochrolic acid
Peak:m/z	Relative Intensity
55.01863	7.2
56.23585	7.3
56.96577	11.2
57.03434	15.0
59.87979	5.5
61.02922	6.7
67.05511	19.6
69.03439	30.8
71.05002	12.1
77.66719	6.4
79.05487	16.9
81.03442	19.1
81.07063	23.1
85.02893	100.0
91.05487	30.9
93.07038	38.4
95.04980	14.2
95.08590	11.6
96.07487	6.7
97.02906	28.2
99.04485	9.8
105.07050	17.2
107.04973	14.0
107.08588	54.7
109.10145	66.0
111.04490	10.8
115.40180	6.7
119.04980	30.6
121.06542	11.2
121.10170	8.3
123.04446	9.7
123.11694	7.1
124.65664	7.6
127.03987	15.5
129.07066	17.0
131.04910	7.8
131.08572	8.5
135.04358	43.8
135.11719	35.4
137.06021	25.5
143.08652	6.6
145.05003	17.1
147.04480	21.5
149.06039	21.2
151.03964	9.2
152.06343	9.8
153.07042	19.0
153.12791	22.8
155.08591	9.7
162.06642	7.9
165.06967	45.4
167.08511	8.4
170.07346	8.2
173.09621	6.8
174.72377	7.3
175.07487	10.4
181.06433	53.2
182.07333	10.5
183.08098	18.3
184.05273	8.9
185.26804	7.4
190.70778	6.5
193.12369	7.0
195.08003	10.7
197.06123	9.4
198.06781	12.5
209.06084	24.3
210.06781	9.1
211.07581	13.8
226.06303	15.2
233.07320	8.3
236.04655	8.4
238.06200	13.1
241.08557	15.9
253.08618	14.3
261.14883	10.5
269.08014	99.7
269.10471	7.6
271.09775	19.4
279.06641	10.9
297.07513	85.6
297.11011	10.1
315.08704	35.3
315.12158	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	315.1222
Annotation	Ponganone VII
Peak:m/z	Relative Intensity
50.12667	3.1
52.32100	3.2
53.93222	2.9
56.96562	22.1
56.96778	3.5
57.07062	5.6
57.97535	2.8
66.04703	4.0
67.05461	3.4
69.70389	3.6
73.51161	4.9
79.05473	5.0
82.03977	3.3
87.34108	3.5
91.05486	7.3
103.05483	10.8
121.02833	5.5
122.03632	7.6
131.04927	13.1
135.04437	5.4
137.02332	11.0
137.05968	100.0
137.86755	3.7
161.50507	3.8
163.07553	16.8
177.07018	8.5
194.07304	6.0
195.08073	4.4
205.06496	20.4
222.06758	8.7
237.09067	20.9
250.06247	11.8
265.08588	54.3
297.11166	29.3
315.05020	20.3
315.08569	9.3
315.12219	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	315.1225
Annotation	Magnaldehyde C
Peak:m/z	Relative Intensity
55.01871	5.4
56.96546	6.0
61.61586	3.4
61.84350	3.4
62.03348	3.7
79.05515	4.7
79.82034	3.8
85.02893	5.1
91.05477	21.2
91.47660	3.8
95.04957	7.2
95.08570	5.5
103.05453	6.3
105.07059	6.2
107.04935	5.2
119.04940	13.8
121.06530	6.5
123.04427	16.5
129.07043	7.4
131.04916	7.2
135.04411	100.0
137.05971	16.4
140.63063	6.0
141.07030	5.4
147.04399	11.3
148.05219	7.4
149.05960	62.6
151.07536	9.8
151.77295	5.6
152.06180	5.2
157.06422	5.4
160.27408	4.7
161.05960	7.1
163.07553	4.6
163.30310	5.0
165.06917	26.8
166.07854	5.5
167.08510	11.4
175.07567	10.3
177.07013	7.9
178.07791	12.0
181.06522	8.5
183.08022	6.8
193.06561	6.4
193.10236	7.5
194.07228	29.1
195.08051	15.4
195.62117	5.4
197.06061	5.4
205.06422	7.7
211.07573	17.9
213.09106	10.0
221.06142	7.3
221.09662	10.3
222.06776	14.8
223.07504	10.7
224.08112	6.8
225.09045	6.3
237.09134	8.0
239.07047	7.1
239.10687	5.4
241.08586	5.5
251.07056	8.3
251.10628	6.9
253.08733	5.2
265.08612	47.1
267.10162	6.2
269.08035	40.6
271.09622	20.3
285.11264	10.9
297.03848	6.5
297.11185	52.9
297.69519	5.9
315.04962	8.3
315.12405	9.1
337.30334	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	315.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	15.4
57.07061	10.3
57.26049	8.3
60.12254	8.6
69.07076	10.5
81.07059	8.6
105.07008	12.2
105.16216	8.1
121.06503	16.1
123.04459	16.0
216.54292	11.2
288.38364	10.4
315.08514	11.1
315.17743	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02854	5.8
55.01858	13.3
55.05494	20.3
57.03415	14.9
57.07063	6.7
62.24811	6.5
67.05490	34.2
69.03422	65.0
69.07060	54.6
71.01360	9.0
71.04980	10.5
79.05479	43.6
81.03409	34.2
81.07049	73.5
83.04978	24.7
83.08612	17.5
85.02882	43.3
91.05475	46.8
93.07035	100.0
95.04965	33.8
95.08590	50.3
97.02867	24.8
97.06515	7.7
99.04451	21.6
105.07022	49.4
107.04958	14.7
107.08587	69.2
109.06516	13.7
109.10172	46.0
111.04488	8.9
111.08089	10.5
117.07018	10.5
118.82727	8.7
119.08589	21.4
121.10146	33.8
122.79897	8.1
123.04423	16.8
123.08022	9.7
123.11706	8.8
125.06009	8.2
127.03909	13.7
131.08549	15.8
133.10149	33.0
135.11674	59.3
137.13254	9.4
143.08592	7.8
145.10059	14.3
147.11729	20.9
149.09596	7.9
151.07605	11.4
151.11211	11.2
153.12808	22.0
159.11690	13.2
161.13214	9.2
163.11195	13.4
181.12260	13.4
192.15207	7.6
201.12605	7.9
219.44554	8.6
261.14865	18.6
279.15930	10.0
315.18024	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.18
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17146	1.0
55.05500	3.1
57.07067	2.2
59.96230	1.3
63.91475	1.1
67.05499	10.1
68.12251	1.3
69.03413	3.0
69.07069	10.0
79.05487	8.5
79.05867	1.3
81.07050	100.0
85.02892	5.4
91.05457	3.5
93.07053	5.1
95.04939	1.5
95.08036	2.2
95.08598	25.0
97.02892	1.7
103.54137	1.4
107.08589	5.0
131.41434	1.5
131.44818	1.6
135.11687	7.8
137.13248	16.5
137.98291	1.4
189.72234	1.7
198.21893	1.2
237.05444	3.8
265.05054	3.2
274.32605	1.5
280.47549	1.4
297.07620	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	315.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.01867	2.1
55.05499	2.3
55.88913	1.4
57.03431	8.4
59.26773	1.5
61.02910	10.2
67.05489	5.9
69.03419	27.8
69.07045	2.9
71.04974	4.1
73.02198	1.5
73.02905	5.0
76.95987	1.4
79.05492	6.7
80.66785	1.3
81.03416	10.7
81.07047	8.0
83.04971	5.0
85.02895	100.0
87.04478	2.0
91.03952	3.7
91.05469	4.6
93.07029	21.5
95.04958	2.3
95.08611	6.0
96.29427	1.8
97.02887	22.7
99.04446	4.2
105.07030	3.9
107.08584	27.3
109.02869	4.7
109.10139	15.1
119.08566	2.3
123.11678	2.1
127.03909	19.4
133.10097	1.7
135.11690	32.6
145.04953	17.9
153.12764	12.8
153.87970	1.8
163.05980	2.3
247.28146	1.7
248.84787	1.9
297.16953	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	315.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39101	1.1
53.03928	1.6
53.08917	1.2
55.01857	3.7
55.05490	2.0
56.05031	1.3
57.03415	9.0
57.07064	2.7
57.20961	1.1
61.02908	8.9
61.73610	1.4
63.58920	1.3
67.05492	8.6
69.03416	23.6
69.07047	3.3
71.04974	3.5
73.02898	3.8
79.05479	3.0
81.03407	9.6
81.07045	10.7
83.04964	3.3
85.02892	100.0
87.04471	3.1
91.03944	5.1
91.05478	3.4
93.07039	18.9
95.04906	2.4
95.08598	6.0
97.02880	17.3
97.06506	2.0
99.04440	3.6
104.70639	1.4
104.76614	1.7
105.07028	3.6
107.04951	2.0
107.08575	20.6
109.02867	10.0
109.10137	12.6
111.04444	1.6
119.08553	1.6
121.10126	1.6
123.11723	3.2
127.03919	15.8
129.06879	1.4
135.11693	23.4
137.05977	2.0
142.49377	1.5
145.04948	20.6
153.12762	9.0
153.99065	1.8
163.06046	3.1
264.39645	1.8
315.14093	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	315.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
55.01880	2.0
56.96564	1.7
57.03428	3.6
57.07077	3.8
65.25523	1.2
66.20465	1.4
67.05492	8.1
69.03437	6.4
69.07062	9.8
79.05474	9.8
81.03429	2.0
81.07047	100.0
83.08588	1.4
85.02908	14.1
89.70660	1.4
91.05508	4.5
92.99490	1.3
93.07030	12.8
93.07451	1.2
95.04973	2.4
95.08600	22.3
97.02905	2.5
105.07049	3.8
107.08575	10.0
109.06519	1.8
109.10156	10.0
116.19902	1.5
121.10182	1.8
127.04018	2.5
128.02521	1.5
133.05000	2.1
135.11703	17.7
137.13269	12.7
151.11127	2.2
159.77602	1.6
183.06664	1.8
228.50470	1.5
264.50928	2.3
318.22595	1.5
339.25113	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	315.18
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17146	1.0
55.05500	3.1
57.07067	2.2
59.96230	1.3
63.91475	1.1
67.05499	10.1
68.12251	1.3
69.03413	3.0
69.07069	10.0
79.05487	8.5
79.05867	1.3
81.07050	100.0
85.02892	5.4
91.05457	3.5
93.07053	5.1
95.04939	1.5
95.08036	2.2
95.08598	25.0
97.02892	1.7
103.54137	1.4
107.08589	5.0
131.41434	1.5
131.44818	1.6
135.11687	7.8
137.13248	16.5
137.98291	1.4
189.72234	1.7
198.21893	1.2
237.05444	3.8
265.05054	3.2
274.32605	1.5
280.47549	1.4
297.07620	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	315.1951
Annotation	CHEBI:70559
Peak:m/z	Relative Intensity
50.10562	3.8
57.07073	32.0
67.05519	4.8
69.07056	12.7
75.10171	3.9
83.04964	5.8
85.06530	8.8
91.05390	4.6
95.04990	5.6
105.07018	16.8
111.04425	6.0
119.08600	7.0
119.83189	4.4
143.08545	8.8
147.08084	7.7
171.26762	5.4
175.07492	12.6
189.09331	4.5
203.14299	13.3
213.12769	9.8
222.33963	5.6
231.13812	15.6
259.13284	12.2
263.09964	4.9
283.30145	5.8
315.19519	100.0
339.82892	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	315.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13921	7.1
57.07066	16.7
59.04998	19.1
60.23582	9.4
60.32808	8.0
67.05493	11.1
69.07029	11.1
73.89899	7.6
79.05487	8.8
81.07069	22.7
85.06531	9.6
91.71767	17.1
93.07031	16.1
95.04941	10.5
103.76016	9.4
107.13227	10.1
133.10234	13.4
159.07964	9.8
173.09656	16.6
185.09586	21.4
257.15302	100.0
314.34265	61.3
315.19522	34.8
315.34406	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1954
Annotation	CHEBI:70559
Peak:m/z	Relative Intensity
50.25190	1.5
57.06800	1.8
57.07066	30.0
61.46147	1.3
69.07037	1.6
73.24820	1.2
81.07077	2.4
83.04964	2.4
85.06522	7.2
93.21727	1.4
105.06976	1.9
114.69948	1.5
121.06503	2.2
128.06180	2.7
131.08521	1.6
159.08073	2.9
164.76472	1.9
170.79013	1.6
171.08037	25.0
197.09578	2.6
198.06802	1.9
199.07516	9.7
211.07436	3.9
212.08281	2.6
223.11208	3.3
231.13757	2.9
241.12212	4.0
255.13657	3.6
259.13287	5.9
273.14932	3.0
297.18594	4.5
315.19510	100.0
317.61694	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	315.1951
Annotation	CHEBI:70559
Peak:m/z	Relative Intensity
53.35537	2.3
57.07064	27.0
65.53190	2.9
67.05488	3.8
69.07047	16.2
78.90069	4.2
79.05450	4.3
81.07035	7.6
84.86752	3.2
85.06524	6.8
91.05449	7.5
93.07056	3.6
95.04958	4.6
95.08586	3.8
97.06543	3.8
100.91457	2.9
105.07028	8.5
107.08627	4.0
110.23750	3.0
110.63061	3.1
111.04462	3.8
117.07081	4.2
119.08607	10.6
128.06200	4.5
129.07013	7.0
130.71132	3.2
131.08485	4.0
133.06487	3.9
143.08571	8.9
145.06458	4.6
145.10130	5.0
147.08040	6.2
171.08134	3.7
171.11665	3.2
175.07611	9.8
177.09175	3.8
185.13194	3.1
189.09361	4.0
189.44229	3.3
191.14417	3.7
203.14308	8.3
212.08861	4.3
213.12711	4.5
231.13802	24.9
259.13324	15.3
287.20270	3.5
315.19513	100.0
334.87772	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	315.1952
Annotation	CHEBI:70559
Peak:m/z	Relative Intensity
53.94387	6.6
57.07059	34.6
62.43820	7.4
64.71133	7.0
67.05503	14.3
69.07027	11.8
71.11917	7.8
83.70876	9.3
85.06527	11.5
85.51045	7.9
91.71645	16.9
95.04930	8.0
99.49053	8.0
105.07053	10.3
119.08601	15.6
125.93607	8.2
152.37106	9.1
157.25964	10.1
216.06662	10.7
231.13824	19.8
315.19534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1954
Annotation	CHEBI:70559
Peak:m/z	Relative Intensity
51.81371	2.3
53.61499	2.3
57.07072	33.1
67.05490	6.6
69.03403	2.2
69.07053	16.3
73.14060	2.3
79.05473	3.1
81.07030	7.8
83.04962	4.5
85.06526	8.5
91.05460	9.1
93.07051	2.6
95.04935	2.9
95.08607	2.6
97.06496	4.3
97.92062	2.4
101.80328	2.5
105.07000	8.3
107.08554	4.4
109.81497	2.2
111.04425	3.8
117.07030	4.4
119.08591	9.1
121.06486	5.1
123.08112	2.8
128.06181	2.7
129.07042	2.9
131.08592	3.7
133.06470	3.0
142.72217	2.5
143.08557	8.6
145.06454	5.1
147.08060	11.8
151.65353	2.5
153.73862	2.6
158.07376	3.3
159.07997	3.4
171.07996	4.6
175.07547	4.9
177.09111	5.6
189.09198	5.0
195.11757	2.9
201.12778	4.9
203.14391	5.1
213.12817	5.5
214.38249	2.6
222.15958	2.6
231.13794	20.8
255.14159	3.9
259.13358	12.7
262.85513	3.9
282.83572	3.5
315.15802	5.6
315.19534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1952
Annotation	CHEBI:70559
Peak:m/z	Relative Intensity
57.07060	35.1
69.07057	41.4
81.07051	25.8
91.07997	17.8
91.74734	19.6
94.32559	13.6
95.35895	12.6
109.98101	12.1
118.88465	13.4
157.45107	16.1
186.60988	15.7
201.37947	15.3
257.15430	35.5
257.99557	15.9
276.27713	14.3
300.32626	15.8
315.19586	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1953
Annotation	Cespihypotin R
Peak:m/z	Relative Intensity
50.35056	6.3
50.47116	5.6
53.03940	53.0
55.05490	7.8
57.07067	35.4
61.41734	5.3
67.05496	7.3
69.07069	6.9
72.41090	6.0
78.03869	5.9
81.03400	41.0
81.07037	20.7
83.04995	6.4
84.87782	6.2
85.06544	11.6
94.06544	9.6
95.04932	9.3
95.08563	7.9
97.74586	6.8
101.51479	5.8
105.07043	7.6
107.62160	6.0
109.94061	6.0
110.38340	6.5
117.07102	6.7
119.08534	6.4
126.97383	6.5
131.08551	6.6
132.05974	7.0
141.06975	8.0
145.06427	8.4
154.73415	6.2
184.42619	8.1
201.12796	28.3
213.12827	9.4
255.17435	15.6
297.18503	20.2
315.19537	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1953
Annotation	15-Hydroxy-6-en-dehydroabietic acid
Peak:m/z	Relative Intensity
50.49158	4.9
55.05498	14.8
67.05487	13.1
69.07063	9.7
79.05482	11.1
81.07053	42.4
81.39844	5.5
91.05470	26.2
91.71632	6.7
93.07030	27.9
95.08604	15.1
105.07029	50.4
107.08596	16.6
107.45407	6.8
109.10220	6.7
117.07008	23.1
119.08597	18.7
121.06490	8.5
121.10084	8.5
129.07039	13.0
131.08562	33.5
131.68716	7.1
133.10143	13.3
135.04414	9.5
137.06020	9.5
142.07825	8.6
143.08611	18.0
145.10152	13.0
147.11630	9.4
149.06012	11.2
155.08501	17.8
157.10109	24.9
159.11720	19.7
163.11176	6.8
167.08612	8.6
169.10130	13.5
171.11673	14.9
173.13275	17.5
181.10141	14.5
183.11688	12.7
185.09676	21.9
195.11752	20.8
197.13255	8.0
199.11008	7.7
203.10765	16.0
209.13298	12.9
211.14877	13.0
241.12234	8.0
251.13962	7.4
251.17953	37.4
269.18958	24.6
279.17456	21.8
297.18521	100.0
315.19510	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1953
Annotation	Crotonkinensin B
Peak:m/z	Relative Intensity
50.98495	2.2
54.72418	2.3
55.01891	3.4
55.05506	6.4
57.07086	4.7
57.26809	2.7
58.50130	2.7
60.04526	5.9
67.05513	11.3
69.07072	12.7
71.04996	3.4
71.08638	3.2
76.81820	3.2
78.71436	2.8
79.05505	12.8
81.07053	18.7
83.08640	4.3
85.77792	2.6
91.05504	9.0
93.07074	13.1
95.05019	3.3
95.08595	16.2
97.10204	2.6
100.38351	2.8
105.07063	9.8
107.04993	4.8
107.07375	8.8
107.08601	6.8
107.17548	3.3
109.10182	5.3
115.05507	3.1
117.07040	5.0
119.08609	9.8
121.10200	6.9
122.09657	100.0
123.04488	5.3
131.08615	7.0
133.10252	3.5
136.06273	5.2
136.07628	20.2
137.05904	4.5
143.08592	7.3
145.10175	4.3
146.63506	3.0
147.08055	3.1
150.09143	36.1
151.09984	6.5
153.05493	15.8
153.55798	3.4
157.10207	4.6
159.08109	3.8
159.11757	6.3
163.14790	5.3
187.79648	4.0
213.16399	5.9
229.12169	3.5
255.17639	4.0
269.19141	10.7
274.48322	3.8
279.17532	7.5
287.14017	12.0
297.18512	42.6
315.13568	6.7
315.19531	46.5
316.22775	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	315.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	22.4
57.07072	5.5
61.47697	1.5
65.03946	1.7
67.05494	70.2
69.07060	22.6
71.04981	9.7
71.08647	2.1
79.05478	15.0
81.07048	100.0
83.08610	24.4
83.09055	2.0
85.06522	12.1
90.98606	2.2
91.05474	2.9
93.07031	15.1
95.08598	96.5
97.10155	18.8
99.08138	2.2
107.08620	8.2
109.10149	53.0
109.10835	3.0
111.11768	4.9
117.73972	2.7
121.10152	17.6
123.11703	20.4
125.13408	2.2
132.30240	2.3
133.36562	2.0
135.11703	13.2
137.13245	4.5
149.13266	5.0
151.14903	3.0
165.16425	2.6
219.21243	3.3
279.26984	4.9
299.81351	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	316.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04516	19.3
60.13324	1.3
62.17057	1.3
62.32477	1.3
62.82260	1.5
69.07056	7.2
70.02921	1.8
70.06584	99.3
72.08139	5.7
73.06181	1.3
74.06105	1.9
84.04479	2.4
84.08134	4.7
86.09700	100.0
87.05614	8.4
109.96059	1.7
116.07091	89.8
117.15977	1.7
128.10716	5.9
129.10292	2.3
139.03946	1.8
151.03883	1.8
157.09729	4.0
173.11401	2.1
173.12863	34.0
185.09242	4.4
199.18031	9.9
201.12279	8.0
203.13954	3.0
227.17574	4.4
229.15439	2.3
316.18582	3.2
317.40314	1.7
334.16379	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	316.1906
Annotation	Belladine
Peak:m/z	Relative Intensity
50.84392	1.1
55.01863	3.1
58.06579	4.3
58.09829	1.2
61.13708	1.3
70.06564	1.6
79.05483	3.7
81.07024	2.2
98.63229	1.4
103.05473	1.9
105.07023	20.5
107.04988	3.7
119.05038	1.6
133.06480	22.6
135.08017	1.7
137.05974	2.7
143.82979	1.5
149.05960	2.3
150.06445	1.8
151.03940	4.7
151.07530	100.0
174.09416	1.5
239.10640	2.1
271.13251	13.2
316.15378	2.6
316.19040	38.1
317.06656	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	316.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27731	2.1
55.05492	2.3
56.05033	3.1
60.04237	2.6
60.04516	36.4
63.82338	2.2
64.83143	2.0
67.05499	17.3
69.03425	4.0
69.07062	6.3
70.06580	5.3
72.04498	3.3
79.05487	9.6
81.03406	43.8
81.07046	12.7
82.06564	3.9
83.04955	6.2
83.54222	3.1
86.09697	100.0
91.05491	11.0
91.71655	3.8
93.07044	12.3
95.04957	7.5
95.08591	8.1
96.04510	4.6
105.07020	4.7
107.04958	10.8
107.08606	4.1
109.06506	3.9
110.45411	2.7
111.04433	8.3
117.07001	5.0
119.08599	6.7
121.06506	10.0
121.10173	4.8
123.08102	3.7
129.15370	2.9
131.08601	6.1
135.08031	3.1
135.11723	5.2
139.03891	11.2
147.08038	4.7
157.13385	11.5
161.13223	2.9
171.11674	3.1
173.13196	3.5
185.12878	5.5
195.13771	4.1
199.11058	4.5
199.18008	12.4
203.13953	5.1
205.08578	5.2
227.17560	7.3
235.13197	3.7
245.11661	4.4
245.15359	15.4
263.13416	4.6
263.16437	22.1
280.19125	7.2
281.13797	7.7
281.17429	4.9
298.20041	4.4
316.21259	5.7
317.06589	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	316.223
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
55.05498	2.7
60.04514	2.9
64.87243	1.0
65.80244	1.0
69.07059	6.9
70.06587	7.2
72.08148	51.6
84.04515	1.0
84.08123	4.0
86.09699	100.0
87.05588	1.0
93.37791	1.1
116.07094	12.7
129.10239	1.3
154.08611	3.3
157.13385	1.9
158.77206	1.2
163.85283	1.1
171.14917	11.1
173.12877	4.3
175.68665	1.0
199.14439	7.3
199.18042	15.0
201.12328	1.1
203.13927	6.2
227.17545	7.8
317.06369	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	316.2231
Annotation	Leu Ala Leu
Peak:m/z	Relative Intensity
50.03355	0.6
55.14406	0.7
56.54694	0.9
60.04521	8.7
66.97878	0.8
67.05495	2.5
69.07063	6.3
70.06596	1.2
72.34452	0.8
72.39584	0.7
79.05482	2.5
81.03413	5.2
81.07052	1.6
86.09700	100.0
88.57689	1.1
91.05464	1.7
92.99792	0.9
93.07034	2.1
95.04964	1.2
95.08585	1.3
97.02906	1.2
107.04955	2.0
109.06483	1.1
117.06996	1.4
119.08521	0.8
121.06528	1.6
131.08577	1.5
132.10208	3.5
157.13354	39.6
164.96129	1.0
173.13261	0.8
184.40240	0.9
185.12843	15.8
199.18098	1.7
203.13954	2.7
245.15376	3.0
250.75514	1.0
263.16382	2.2
280.19089	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2844
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.05511	8.8
56.05032	7.0
56.34129	2.2
57.07033	2.3
58.68154	2.7
60.04514	100.0
62.62452	2.6
67.05490	22.5
68.00591	2.9
69.07056	7.7
70.06599	7.1
77.70636	3.0
79.05482	3.1
81.07047	22.2
83.08595	5.4
89.50798	3.0
93.07047	4.1
95.08602	26.2
96.14743	3.1
106.71436	3.1
108.06162	3.6
109.10188	5.9
116.86658	3.4
174.45601	3.0
182.96490	3.1
185.92769	3.1
192.28902	3.2
212.01701	3.2
268.26398	7.1
275.29037	3.1
280.26450	15.3
298.27374	39.0
316.28394	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	316.2846
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
50.15337	2.2
55.05498	6.8
56.05022	4.5
60.04520	100.0
67.05502	24.9
69.07051	7.8
70.06586	4.0
71.04984	2.9
79.05448	3.0
81.07045	27.5
82.03751	2.5
83.08608	7.9
91.05505	3.5
91.71688	5.3
93.07027	5.2
95.08604	27.7
109.10158	8.4
121.10188	3.4
131.28189	2.8
131.93338	3.3
209.33401	2.7
254.24971	5.7
268.26285	6.4
271.91183	3.0
280.26398	20.7
298.27365	44.1
302.04041	3.5
316.28424	44.8
317.06723	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	316.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24211	3.9
51.29652	4.5
55.05502	6.3
56.05033	4.5
56.96552	10.7
57.07054	9.1
60.04234	7.8
60.04520	100.0
60.60748	4.7
67.05489	23.8
70.06589	9.6
75.45935	4.6
81.07049	28.6
87.04472	7.4
95.08599	27.0
98.86275	4.6
98.97612	7.8
109.10137	8.5
116.98609	8.8
127.94838	4.8
140.00221	9.3
158.01114	5.0
186.85255	4.7
196.03754	5.6
254.24934	5.3
268.26288	6.1
280.26413	20.1
293.95154	6.5
298.27399	33.2
316.28525	44.6
332.96576	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	316.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	11.0
58.06588	1.6
60.04505	3.6
70.06573	23.1
71.08597	6.1
81.07007	2.1
88.07618	24.1
102.09155	6.6
106.08655	14.2
112.77291	1.8
152.14354	1.7
298.30804	4.7
316.32047	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05468	1.8
56.96543	3.4
57.07070	19.3
57.16928	2.0
59.21206	1.9
60.04513	13.5
67.05484	3.2
70.06579	26.8
71.08597	9.4
81.07018	2.3
81.54834	2.4
85.10149	7.3
88.07618	43.7
88.43823	1.9
106.08668	43.2
116.35098	2.2
121.14899	2.1
136.10338	2.2
164.94823	2.6
171.46689	2.5
298.27399	3.4
316.22406	5.5
316.28729	4.5
316.32040	100.0
317.32245	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84404	0.6
53.27956	0.8
65.03918	1.8
68.99779	1.1
91.21568	0.8
91.71056	1.1
92.02618	5.8
93.03392	4.8
95.04965	0.8
121.02831	2.6
125.35268	0.8
126.03109	2.6
127.25353	0.8
139.03850	1.5
151.03879	2.2
152.01344	0.8
153.01811	23.2
155.04826	0.8
159.33078	0.8
166.47476	0.8
201.05440	2.1
203.03380	2.4
217.04982	3.5
228.04189	4.6
229.04965	7.1
245.04407	4.6
246.05246	3.2
256.03625	1.2
257.04434	5.5
273.03937	3.3
274.04776	5.4
285.03955	8.7
300.45172	0.9
302.04153	21.0
317.06512	100.0
318.06885	1.4
329.65955	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
52.11492	0.7
61.30379	0.8
65.03903	1.3
68.99774	1.2
76.21792	1.0
86.09705	1.2
92.02589	4.2
93.03400	4.9
101.51170	0.9
104.94245	0.9
111.00723	1.0
118.31514	0.9
120.81541	1.0
121.02853	3.2
137.21600	0.9
139.03894	2.3
151.03880	1.8
153.01820	20.8
165.01796	1.3
200.04639	1.2
201.05447	1.2
203.03351	1.6
217.04926	2.1
228.04106	3.4
229.04932	8.5
231.02847	1.6
238.19615	1.0
245.04434	3.4
246.05267	4.3
257.04349	5.8
259.14587	1.3
260.02890	1.1
268.01672	1.0
273.04022	5.1
274.04749	6.7
284.03360	1.2
285.03918	7.0
302.04181	17.5
317.06519	100.0
318.06760	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	317.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67457	0.9
52.70191	0.8
53.90369	0.8
62.97048	0.9
63.85283	0.9
65.03912	1.2
65.40051	1.0
83.52885	1.1
91.06553	1.0
92.02614	5.1
93.03381	4.1
94.90276	1.0
98.97568	1.5
107.04912	1.3
121.02843	2.6
126.03176	1.6
128.77686	1.2
139.03845	2.6
151.03859	1.7
153.01826	24.1
165.01872	1.6
203.03375	1.8
211.98204	1.2
217.04970	2.8
225.70314	1.1
228.04211	3.4
229.04962	5.4
229.08551	1.4
235.02769	1.4
238.56364	1.4
245.04420	4.3
246.05247	3.4
257.04333	4.3
273.03992	3.2
274.04660	8.4
276.05536	1.3
285.03848	6.1
289.03290	1.4
302.04163	19.9
317.06522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0652
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
58.08850	0.7
62.44806	0.7
65.03926	1.5
70.49246	0.7
72.22067	0.8
92.02612	5.6
93.03390	4.1
111.00774	0.7
115.76845	0.7
121.02885	2.3
124.46119	0.7
126.03114	1.1
132.12163	0.9
136.65361	0.7
139.03871	1.6
149.02354	0.8
149.25131	0.7
151.03914	1.6
153.01820	21.3
158.60121	0.7
165.01860	1.5
201.05391	1.6
203.03427	2.0
217.04936	3.1
218.05678	1.1
228.04213	3.8
229.04953	6.5
231.02834	1.6
245.04442	3.1
246.05196	3.0
256.03729	0.9
257.04279	4.3
273.03854	2.8
274.04669	5.6
285.03918	5.0
302.04147	18.7
317.06519	100.0
318.06781	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	317.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.0
68.99780	1.0
92.02607	5.7
93.03354	4.1
93.43204	0.7
99.67538	0.7
100.71967	0.8
103.08291	0.9
107.47437	0.8
121.02863	1.8
123.92591	0.7
126.03169	0.8
137.02299	1.1
139.03882	1.6
151.03925	1.3
153.01810	20.7
165.01880	1.4
172.05049	0.8
190.52435	0.9
192.04088	0.8
192.27798	1.0
201.05461	2.2
203.03346	1.8
217.04948	3.9
218.05780	1.3
219.02724	1.3
228.04070	3.9
229.04881	7.7
231.02875	0.9
245.04500	4.2
246.05261	2.9
257.04456	4.1
260.03296	0.9
273.03906	3.4
274.04721	7.3
285.03937	7.0
302.04181	20.2
302.07605	1.1
317.06516	100.0
318.06720	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00635	0.4
50.82916	0.4
53.27954	0.5
62.76376	0.5
64.57214	0.5
65.03937	1.4
65.83688	0.5
68.99756	0.7
84.85104	0.5
85.86043	0.5
90.36093	0.6
92.02614	4.9
93.03391	5.0
95.27048	0.6
116.69357	0.5
121.02874	3.5
122.03731	0.8
126.03133	1.1
137.02383	1.4
139.03926	1.5
151.03902	1.8
153.01817	21.9
165.01810	1.3
173.05959	0.7
177.05440	0.9
183.02805	0.7
191.31816	0.6
200.04663	0.9
201.05467	1.1
203.03352	2.0
217.04953	3.1
218.05748	1.1
219.02875	0.7
228.04161	4.2
229.04939	8.8
231.02800	1.1
245.04468	4.0
246.05215	3.2
257.04480	5.3
260.03156	1.1
273.03952	3.6
274.04663	6.2
285.03888	8.1
302.04175	21.1
317.06528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08792	2.0
52.03867	2.1
56.97234	2.0
57.12159	2.3
58.46582	2.3
65.52110	2.8
71.69913	2.2
78.58075	2.6
92.02602	3.6
93.03385	3.2
121.02837	3.9
153.01823	18.4
179.38568	3.1
189.82677	3.2
201.05504	3.3
217.04845	3.6
218.77481	2.8
228.04205	3.4
229.05031	6.3
245.04562	3.7
257.04599	4.2
273.03964	3.1
274.04810	7.2
285.04044	8.1
302.04257	20.8
317.06567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
50.38524	0.5
51.07092	0.7
52.87803	0.6
63.02312	0.7
65.03925	1.0
68.99779	1.0
70.74929	0.6
82.40900	0.8
84.10365	0.6
88.14980	0.6
92.02615	4.5
93.03391	5.2
93.65745	0.8
121.02839	3.3
126.03092	1.7
139.03879	2.4
151.03815	1.5
153.01822	22.0
165.01826	1.2
182.21153	0.9
200.04652	1.3
201.05415	3.0
203.03307	2.5
217.04958	2.8
218.05646	1.7
219.02827	1.1
223.03761	0.9
228.04106	4.4
229.04927	10.6
231.03043	0.9
233.11421	0.9
245.04521	4.7
246.05116	3.2
256.03922	0.8
257.04367	4.7
260.02942	1.2
261.07431	0.8
264.48148	0.8
273.03873	4.3
274.04742	7.4
285.03870	8.3
286.04767	0.9
300.64310	1.1
302.04147	22.8
317.06516	100.0
318.06799	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	317.0652
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
50.34018	0.6
51.75206	0.7
53.78307	0.6
55.16570	0.7
55.79010	0.6
59.94162	0.7
61.17415	0.7
62.00772	0.7
65.03927	1.0
92.02611	5.1
93.03383	3.9
121.02863	2.5
126.03173	0.9
131.04820	0.9
139.03801	1.7
151.03946	2.0
153.01823	18.9
154.32802	0.8
165.01834	1.0
201.05441	2.0
203.03365	1.4
217.04926	3.8
218.05688	1.4
223.12160	0.9
228.04247	4.1
229.05020	6.4
231.02985	1.4
235.91850	1.0
245.04448	4.8
246.05148	4.1
257.04440	4.0
273.03922	3.2
274.04666	5.7
277.58197	1.1
285.03894	7.3
302.04199	22.6
317.06516	100.0
318.06894	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	317.0655
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.05502	8.8
56.05022	3.1
56.96542	2.0
57.07050	2.9
58.00701	2.1
60.04516	81.1
61.04857	1.8
63.69196	1.9
65.03928	2.6
67.05498	25.5
68.05851	2.6
69.07069	6.0
70.06575	8.2
79.05483	5.3
79.17756	1.9
81.07040	23.6
81.13914	1.9
83.08599	5.8
91.05499	2.6
92.02613	2.6
93.03400	4.0
93.07012	4.8
95.08600	27.5
95.80022	1.9
96.08908	2.2
97.35278	2.1
105.07068	2.4
105.87967	1.9
109.10129	5.5
115.78727	2.1
117.52991	2.1
119.08567	2.7
121.02834	4.2
121.10136	3.5
126.03111	2.5
139.03902	2.4
148.45724	2.0
151.47224	2.5
153.01828	21.4
155.54666	2.3
215.49673	2.4
228.04099	4.3
229.04962	7.0
246.05212	2.7
254.24733	3.6
257.04401	4.5
268.26309	2.7
273.03867	3.7
274.04636	8.3
280.26334	12.4
281.26752	3.0
285.03970	9.8
298.27390	25.6
299.27811	8.3
302.04221	21.2
316.28418	25.7
317.06525	100.0
317.25687	5.4
317.28851	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	317.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66840	0.6
53.27960	0.6
53.63179	0.5
65.03927	1.0
65.72793	0.5
67.01817	0.6
68.99780	0.6
71.06123	0.6
75.78558	0.6
77.35448	0.7
79.61562	0.6
86.09693	2.2
92.02635	5.1
93.03386	3.7
121.02824	3.1
126.03170	0.7
139.03888	1.3
147.59363	0.7
151.03917	1.7
153.01825	20.4
157.13309	0.9
162.87187	0.9
165.01794	1.6
177.05467	0.9
178.28183	0.7
183.04453	0.7
200.04745	1.1
201.05438	1.7
203.03377	1.4
217.04980	2.7
218.05746	1.4
219.02995	0.9
228.04213	3.6
229.04944	5.4
231.03049	1.1
245.04445	4.3
246.05185	3.1
257.04294	3.5
273.03949	3.9
274.04715	7.7
285.03903	6.2
302.04172	19.5
317.06531	100.0
318.07031	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1016
Annotation	(-)-Mucroquinone
Peak:m/z	Relative Intensity
51.02382	0.7
51.98455	0.6
54.52583	0.6
55.01651	0.8
55.01869	8.8
55.12378	0.9
57.07067	0.7
60.27608	0.7
63.30596	0.7
65.03924	0.8
67.05476	3.1
69.03397	1.1
69.07072	0.8
78.91640	0.7
79.05468	1.1
81.03406	1.5
81.07053	0.9
83.04977	1.1
91.05468	2.5
95.04955	5.3
95.08601	1.0
97.02914	0.9
99.41254	0.8
105.03329	2.0
111.04412	1.9
119.04938	8.8
123.04430	6.4
125.60182	0.8
127.03881	1.1
129.11497	0.9
137.05971	3.1
139.03889	32.6
141.05424	1.0
142.74292	0.8
147.03394	0.9
147.04434	9.0
151.03893	100.0
156.68445	0.9
165.05458	6.7
167.07019	12.3
179.07056	7.2
193.04938	31.1
193.08528	0.9
196.05367	0.9
197.05919	1.1
211.07675	1.0
236.71069	0.8
258.72546	0.8
285.07468	4.0
299.09229	1.9
317.06586	3.9
317.10193	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1019
Annotation	3,7,4'-Trihydroxy-5-methoxy-6-methylflavanone
Peak:m/z	Relative Intensity
54.21144	3.0
65.73488	3.3
69.03414	3.4
73.27675	3.1
77.40578	3.7
79.05476	6.6
81.07058	7.1
91.05466	10.5
93.81848	3.6
95.05003	7.1
98.16357	3.5
107.04951	100.0
119.04914	6.6
121.06458	5.9
131.04945	8.3
133.45552	4.1
137.05988	13.5
139.03889	8.2
151.03967	21.0
165.06833	7.0
169.41769	3.9
181.04980	19.2
181.06377	5.1
183.08122	5.5
193.04919	8.0
193.06564	5.0
196.84750	3.7
211.07634	11.0
225.46074	4.4
234.92188	4.2
251.22699	4.0
269.08160	14.6
287.09079	8.5
299.09171	15.8
317.06509	14.3
317.09912	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	317.1018
Annotation	5,2'-Dihydroxy-7,4'-dimethoxyflavanone
Peak:m/z	Relative Intensity
52.80178	3.7
56.61024	3.5
60.54815	4.0
63.93496	5.1
65.84289	3.8
75.34436	4.3
81.07050	8.9
84.38309	4.0
91.05441	6.2
91.55878	4.4
95.04944	4.5
121.06506	23.7
134.03596	6.7
137.06021	12.1
138.68979	4.9
139.03961	6.0
141.06960	6.2
149.05957	14.0
151.07504	5.9
152.06166	9.6
153.06995	36.8
167.03419	22.5
173.73897	4.7
177.05489	7.7
179.06570	5.2
181.06407	38.6
182.07300	5.4
193.04935	8.2
196.05167	9.9
197.05902	9.1
198.06772	8.4
211.07556	17.3
213.09111	14.5
239.07101	9.3
241.08652	8.4
247.12306	5.1
252.85426	6.4
256.07321	8.3
267.06473	6.3
299.09140	100.0
317.06845	9.0
317.10175	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	317.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
63.62360	60.1
82.15826	68.3
103.80079	74.2
140.41147	88.4
172.41069	81.1
205.06216	82.7
219.89555	87.7
236.63203	77.8
295.22037	80.5
310.42014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19298	1.6
64.98842	1.9
67.05479	2.1
67.38414	1.6
70.15472	1.5
86.09690	3.4
93.63630	1.9
95.20254	1.8
100.84748	1.9
148.42538	2.1
151.07555	2.5
163.34311	2.2
165.05539	2.2
173.73849	2.5
182.85953	2.3
290.45764	2.4
317.06418	5.2
317.12067	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03153	3.5
54.38191	3.5
81.07038	4.5
111.08023	4.4
146.54884	4.9
190.03914	4.7
273.03928	5.9
313.20767	4.6
317.06296	9.8
317.12027	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52101	2.4
56.96537	2.5
61.75330	2.5
62.37835	3.1
67.05501	6.6
69.03424	5.7
69.07035	6.9
70.06584	9.0
72.08153	26.2
73.08498	3.7
75.40868	2.9
76.87128	3.3
79.05485	3.2
81.07030	6.6
84.08146	4.7
86.09702	43.8
87.10044	8.2
93.64642	3.2
98.06036	3.5
102.12373	3.1
123.04420	5.9
136.66695	4.5
137.05968	4.7
139.03909	6.3
158.08156	4.0
165.05441	5.5
185.16476	8.7
186.17021	4.1
210.87903	4.2
224.20309	3.4
236.37746	3.7
263.12830	4.6
317.06454	8.2
317.12079	100.0
317.15262	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	317.121
Annotation	dopaol beta-D-glucoside
Peak:m/z	Relative Intensity
70.06580	5.6
79.05467	2.2
84.04482	9.3
86.09703	20.3
87.10081	3.3
101.80233	2.3
102.80490	2.6
123.04394	3.4
129.10234	2.5
130.04991	4.6
137.05975	4.8
314.81738	2.8
317.06427	9.4
317.12054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1379
Annotation	Monocillin II
Peak:m/z	Relative Intensity
55.01865	11.8
55.37510	6.9
57.03402	10.0
57.07053	17.9
67.05495	10.9
69.03413	25.4
69.07048	12.4
69.50719	7.5
73.64284	7.0
76.07106	7.9
79.05489	29.5
81.07049	40.5
83.01334	26.2
83.04974	9.5
84.36015	9.3
85.02885	35.7
87.53699	7.6
91.05475	33.1
92.70377	8.6
93.07043	12.3
95.04942	14.8
95.08591	19.6
97.02898	19.9
105.07037	32.0
107.04936	19.3
107.08586	14.6
109.02901	8.8
109.06483	10.8
117.06983	16.9
119.08571	35.9
121.06511	11.3
121.10108	12.7
128.06255	17.6
129.06990	15.8
131.08563	26.2
131.47632	8.6
133.06534	19.2
133.10130	13.8
139.03903	9.7
141.07027	11.7
143.08540	26.2
145.06441	12.5
145.10146	22.0
147.08076	25.7
147.11693	15.6
153.01840	13.9
155.08568	11.8
157.10133	37.0
159.08072	11.4
159.11697	27.7
161.06055	11.3
167.08549	10.0
169.06598	12.1
169.10143	12.7
173.09724	17.6
175.11166	12.0
179.08542	10.9
182.10777	11.3
185.09528	13.6
187.11145	14.0
192.44109	9.7
197.09639	9.9
197.13182	11.9
201.09177	14.4
215.10756	13.5
215.14391	13.5
219.77271	10.2
225.12747	12.5
227.14378	25.6
229.12265	10.3
243.10258	12.2
243.13814	35.9
253.12067	14.0
255.13733	11.8
271.13315	49.8
289.14328	31.5
299.12714	41.0
302.04080	23.8
317.06534	66.1
317.13806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1382
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
51.79697	3.0
55.01834	4.1
57.07062	4.0
69.03416	4.8
74.46634	3.6
77.34898	3.8
81.07027	8.4
91.05470	34.4
93.07011	8.3
93.77298	3.3
95.04966	9.0
103.05461	7.6
107.04953	8.7
109.06459	3.5
119.04935	14.7
121.06507	12.4
122.03648	11.8
122.07298	4.2
123.04411	10.5
128.06198	4.5
129.07022	20.7
131.04980	4.6
135.04407	4.7
137.05974	100.0
139.03914	6.7
147.04378	18.7
147.07988	7.3
149.05977	27.5
151.03864	9.3
151.07541	63.9
152.06201	4.7
153.01889	4.9
153.07037	8.1
157.06477	12.0
161.05989	9.5
163.07602	5.4
165.07005	10.8
167.08554	6.4
173.59248	4.7
175.07521	28.7
178.07729	5.2
193.06474	7.4
193.08575	5.4
195.08136	13.7
197.05957	4.5
210.06700	5.2
211.07649	12.1
213.09091	7.0
221.05988	12.2
221.09508	8.5
225.08986	6.3
227.10841	4.7
238.06163	4.6
239.07030	11.0
253.08647	11.5
253.12212	8.4
258.08899	6.9
271.09665	28.7
273.11157	10.7
276.89697	4.7
281.11804	5.2
299.09262	10.0
299.12836	17.8
317.06540	34.1
317.13879	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	4.8
60.04501	4.3
66.10810	4.0
69.03428	7.0
81.07051	6.4
91.05488	30.9
91.71078	8.1
93.07036	6.6
95.04976	9.0
95.08607	6.4
105.07011	8.1
107.04957	16.5
119.04947	16.6
121.06521	17.6
122.03672	5.8
123.04420	10.9
129.06999	19.2
137.05974	100.0
139.03931	8.4
145.06526	8.1
147.04428	21.1
147.08066	6.8
147.48608	5.0
149.05963	26.8
151.03908	18.5
151.07535	65.0
157.06531	7.9
159.01440	5.4
160.05234	5.9
164.33777	5.3
165.06946	9.3
167.08456	5.8
175.07532	32.3
178.07787	6.8
193.04909	6.5
193.06546	5.9
195.08081	7.5
210.06697	7.3
213.09113	7.4
221.06129	6.2
239.07014	11.1
253.08656	9.0
253.12143	5.9
271.09702	23.0
273.11139	10.0
299.12759	9.9
317.06595	22.4
317.15866	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	3.3
58.35312	3.0
67.62141	2.6
79.05489	4.8
81.07043	11.8
85.02884	7.5
91.05475	27.7
93.07050	3.9
95.04933	6.6
95.08591	5.0
103.05463	4.8
105.07050	5.1
107.04952	14.5
109.06562	5.3
119.04947	13.8
121.06519	12.3
122.03674	7.4
123.04440	12.9
124.19792	3.8
128.06258	7.5
129.06981	21.0
131.04919	4.2
135.04399	5.2
137.05972	100.0
137.06944	6.7
139.03932	3.5
144.10516	3.4
147.04422	13.3
149.05962	18.3
150.06769	4.0
151.03877	7.9
151.07536	50.0
153.12773	4.1
157.06480	6.7
160.05214	4.4
163.07550	3.9
165.06999	19.3
167.08475	4.5
168.63261	3.5
175.07524	37.3
178.07820	7.9
182.07176	5.9
183.08054	5.6
193.06580	4.7
193.10117	6.5
194.07138	3.4
195.08028	10.7
210.06812	5.9
211.07552	9.9
213.09093	6.4
218.34019	3.3
219.84093	3.8
221.05946	7.1
221.09473	6.9
239.07021	8.3
241.08705	5.0
253.08575	7.9
258.08975	6.5
267.07074	3.4
271.09537	18.4
273.11246	11.8
281.11588	5.3
299.09586	3.8
299.12817	12.8
317.06760	7.6
317.15756	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	317.1592
Annotation	Merrilliortholactone
Peak:m/z	Relative Intensity
53.36454	8.8
54.22336	10.0
55.01864	11.2
56.96548	14.4
57.07059	18.2
59.04988	18.5
61.90956	9.6
67.05492	28.6
71.09409	10.8
75.32058	9.7
79.05495	10.8
81.07031	22.7
91.05453	28.0
93.07057	14.6
95.04971	13.5
99.08071	13.2
103.05436	15.9
105.07018	41.2
107.04946	14.1
115.05431	23.6
117.07003	23.1
121.06442	15.4
123.04418	17.4
129.06961	15.4
131.08562	26.1
133.06488	33.3
137.06033	16.0
137.25833	10.6
139.03951	21.9
149.05962	14.9
152.11217	12.9
153.01859	22.2
159.08009	13.5
161.05978	51.2
170.69771	11.6
171.11575	17.2
189.05450	45.0
199.11292	19.6
227.10643	13.0
229.05019	15.9
245.11623	68.4
263.12845	30.7
281.13895	31.6
299.14948	66.3
317.06528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1746
Annotation	Perrottetin C
Peak:m/z	Relative Intensity
57.07064	3.8
59.04982	1.9
67.05496	2.4
67.96109	2.2
69.03419	1.9
75.20036	2.0
81.07021	2.0
90.35600	1.9
91.05467	2.6
93.07030	4.3
93.79451	1.9
95.04964	3.8
105.06975	3.6
119.04956	8.3
131.08539	2.1
133.06477	5.5
137.06126	2.3
142.07784	3.2
151.03900	28.0
151.07520	2.8
157.10210	4.1
169.10130	2.7
197.09673	1.9
215.07072	6.5
225.09183	2.9
227.07072	8.5
228.07790	6.2
239.10730	6.1
241.08571	45.3
242.09271	3.6
243.10159	39.2
256.10910	14.2
257.11685	22.5
259.16913	9.2
281.15253	4.4
299.16382	75.1
317.17465	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
54.78534	1.7
55.01857	3.6
56.08797	1.7
57.03416	5.2
61.02903	7.6
67.05489	2.6
69.03422	16.9
71.04973	2.0
73.02873	1.8
73.75022	1.7
75.21727	1.7
79.05470	2.1
81.03404	7.0
81.07053	34.2
83.83202	1.7
85.02895	100.0
88.89894	1.7
91.03959	5.2
95.08590	5.4
97.02888	13.9
99.04429	2.6
101.29135	2.1
109.02889	9.9
127.03909	17.9
137.13249	9.3
145.04962	21.3
163.06033	3.2
205.38661	2.5
278.16446	2.2
317.06442	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	317.1958
Annotation	Geranyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01841	3.5
55.05502	5.1
56.96557	4.9
57.03421	4.1
57.07058	15.0
61.02925	3.9
65.80115	3.9
67.05489	5.8
69.03413	9.9
69.07056	10.8
81.03395	5.8
81.07047	93.1
83.56989	3.4
83.93168	3.9
85.02888	52.4
91.05499	5.2
93.07036	4.9
95.08592	57.2
97.02879	11.0
108.79389	3.7
109.02924	7.8
109.10106	9.3
109.18134	3.7
111.11745	9.8
112.84518	3.5
127.03887	9.7
137.13255	100.0
145.04961	6.4
149.05989	3.9
151.03938	4.8
155.14288	23.0
186.07452	4.3
206.97827	4.4
228.70804	4.5
281.17801	5.2
288.38791	4.5
297.01276	4.6
317.06577	10.2
317.13895	7.3
317.19672	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	317.2108
Annotation	Microclavatin
Peak:m/z	Relative Intensity
57.07069	39.6
69.03427	2.3
81.07006	2.7
85.06527	11.0
85.81878	2.0
89.32741	2.2
105.07017	11.4
108.14841	2.2
129.07056	2.3
131.08575	6.4
133.06526	2.6
145.10088	2.1
147.08005	3.0
155.08586	5.8
183.08054	2.5
224.06657	2.2
233.15355	100.0
257.15372	3.0
299.20050	9.7
317.21152	12.1
319.32596	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	317.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.2
59.04741	1.8
59.04994	22.5
60.04517	1.9
69.03411	2.8
69.07043	3.3
72.03664	1.8
73.89109	1.6
81.07054	5.0
83.04967	5.5
83.08614	13.1
88.16497	1.9
91.05479	4.5
91.70974	2.2
92.77992	1.7
93.07030	3.9
95.04966	4.6
95.08544	2.1
100.98630	1.7
104.35239	1.7
105.07017	4.5
105.61427	2.0
109.06529	4.3
109.10087	1.9
111.08080	2.9
119.04803	1.6
119.08584	2.4
121.10161	2.9
128.19705	1.7
131.08551	3.9
133.06471	1.8
133.10135	2.4
137.95850	1.7
145.06470	5.9
145.10085	3.4
147.08034	2.9
157.10104	3.8
159.11650	3.3
161.09619	7.0
171.11639	2.4
175.11182	3.4
187.11197	3.8
203.10721	3.8
238.70012	2.1
241.16101	2.1
243.41725	2.1
249.49799	1.9
259.16898	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	9.2
59.04990	24.1
60.99083	1.5
63.24788	1.6
65.36944	1.5
67.05488	2.6
69.03412	3.2
69.07064	2.4
79.05480	1.7
81.07050	5.7
83.04965	3.7
83.08607	11.6
91.05434	3.0
91.71044	2.3
93.07037	4.0
95.08569	1.8
105.07014	6.2
107.08619	1.9
111.08056	2.5
119.08571	4.0
131.08661	2.1
133.06448	2.2
133.10260	2.0
135.88867	1.9
136.10640	2.1
143.08582	5.5
144.54732	1.8
145.06488	4.7
145.10158	5.0
147.08049	3.2
149.09554	3.5
155.17329	1.8
157.10117	2.8
161.09616	4.9
163.69571	1.9
187.11186	3.1
200.55344	2.0
203.10683	3.7
259.16898	100.0
273.19409	2.2
315.66742	2.0
317.00131	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	317.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01873	1.5
55.05506	11.8
57.07066	2.7
57.09862	0.8
59.04994	23.4
60.04513	1.0
66.50081	0.8
67.05492	2.8
69.03423	1.6
69.07052	3.7
79.05485	1.7
81.07047	5.8
83.04975	5.7
83.08611	13.4
85.06524	0.9
91.05479	5.0
93.07041	5.5
95.04950	3.7
95.08595	1.6
97.06524	1.7
99.08092	1.1
105.07023	7.1
107.08573	3.2
109.06512	3.4
109.10129	1.6
111.08088	2.9
117.07013	3.0
119.08567	4.2
121.06485	2.3
121.10105	1.4
128.06242	1.0
129.06990	2.6
131.04927	1.6
131.08589	4.4
133.06516	2.6
133.10088	2.7
135.08060	0.9
142.07726	2.1
143.08563	4.4
145.06487	5.2
145.10106	5.1
147.08057	3.8
147.11696	1.2
149.09607	3.2
154.07784	1.1
156.09299	1.3
157.10150	3.7
159.08025	2.1
159.11694	3.3
161.09613	7.2
165.70294	0.9
169.10115	1.0
171.11716	3.2
173.13190	1.1
175.11235	3.3
185.09656	1.9
187.11166	5.0
199.11230	1.2
201.12767	2.6
201.62712	1.1
203.10739	4.8
217.12077	1.1
241.15797	1.3
259.16907	100.0
317.21072	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	317.2109
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
50.92586	13.8
52.72078	12.0
55.05484	13.6
56.96533	20.2
57.07064	25.0
58.91251	13.4
65.67119	13.7
67.05508	19.0
68.72400	15.9
69.03411	15.3
69.07059	35.2
69.53738	13.9
81.07036	100.0
81.13316	15.0
82.40672	15.2
85.02891	37.5
91.05461	52.1
93.07045	43.2
94.09430	16.2
95.08586	54.1
99.08066	24.2
100.94061	15.2
105.07010	37.3
107.08622	22.3
119.08579	49.1
121.10180	23.0
131.08589	42.6
133.10149	21.5
137.05962	26.7
137.13295	30.1
139.60362	15.9
143.08554	31.7
145.10175	32.8
155.08601	27.5
159.11734	20.6
166.52782	18.6
173.13402	22.9
175.24377	17.2
196.39006	21.6
200.13844	18.9
200.88737	19.2
203.10803	18.4
253.19493	38.2
274.04730	43.4
275.36411	19.1
281.18887	41.1
299.20023	56.7
302.04132	93.0
317.06390	97.2
317.21005	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2108
Annotation	7beta-Hydroxyabieta-8,11,13-trien-18-oic acid
Peak:m/z	Relative Intensity
52.00033	5.1
55.05214	5.7
55.05494	12.0
56.65439	5.2
58.49948	5.7
59.12212	5.7
60.04523	55.2
62.87539	5.2
67.05498	27.8
69.07053	17.0
70.06587	11.3
79.05485	7.7
81.07044	58.0
83.08610	8.6
83.77625	6.5
91.05471	15.9
92.10630	6.1
93.07050	28.0
93.79353	6.6
95.04942	6.6
95.08598	25.0
95.83681	7.6
98.81452	6.3
105.07039	31.8
107.08609	20.4
109.10130	18.2
117.07057	9.0
119.08566	19.5
121.10167	8.9
121.87216	7.3
127.83723	7.4
129.07002	6.4
131.08562	24.7
133.10121	16.0
135.11659	12.1
141.07025	6.5
142.07890	6.4
143.08574	9.0
145.10136	20.6
147.11642	10.7
149.13232	10.3
153.01839	12.1
157.10143	20.5
159.11726	22.9
161.13266	22.9
171.11736	9.1
172.17009	7.7
183.11745	6.6
183.56827	8.3
187.11215	11.8
189.09177	10.0
197.13321	8.4
253.19507	47.5
271.20514	53.2
280.26364	10.3
281.19098	15.2
281.26718	13.5
298.27328	9.6
299.20056	100.0
299.27823	9.6
302.04108	11.7
305.76004	8.3
311.13757	8.8
317.06726	53.6
317.21094	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	317.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.0
56.88931	6.0
57.07069	8.0
60.04527	28.9
63.80206	5.8
65.73700	5.3
67.05516	24.8
67.52184	6.4
69.07059	6.8
71.08627	8.1
81.02367	6.4
81.07064	18.5
91.05515	9.5
95.08636	27.6
99.08161	6.5
106.72157	6.3
107.04990	8.2
109.10246	7.2
133.06541	30.3
139.35057	7.7
145.06549	23.3
147.08031	100.0
153.01848	17.7
159.08055	9.2
161.06018	14.1
213.48149	7.9
302.04065	11.8
306.38989	7.7
315.67722	7.2
317.06540	51.2
317.21021	8.3
317.28564	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	317.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	3.5
54.98035	2.3
55.05252	3.3
55.05502	39.3
57.07072	17.8
60.04510	10.5
61.67752	2.5
67.05493	69.1
69.07059	67.7
71.04974	7.9
71.08616	4.8
75.72778	2.5
79.05483	7.9
79.89556	2.6
81.07046	100.0
83.08610	60.2
85.06534	3.0
95.08599	97.6
97.10153	35.9
99.08062	2.8
109.10149	55.3
110.35032	3.0
111.11723	12.7
115.87595	2.6
123.11691	19.0
125.13292	3.6
137.13293	10.2
151.14789	8.2
152.21089	3.1
163.05664	2.9
165.16412	3.0
217.86717	2.9
239.23735	7.5
257.24731	11.6
279.14838	3.0
280.17981	3.3
285.88513	3.0
299.27722	4.2
302.04324	2.8
317.06604	12.3
317.29028	3.7
333.53198	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	317.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98545	4.4
55.05510	34.4
57.07053	22.1
60.04507	9.0
67.05490	65.9
68.80163	5.2
69.07059	65.7
71.02271	4.3
71.04972	8.7
71.08631	15.2
81.07049	81.3
83.08605	50.6
84.20691	6.1
85.06547	9.1
85.10175	12.5
95.08596	100.0
97.10167	41.9
99.08123	6.7
106.85744	6.2
107.71458	5.8
109.00954	5.3
109.10143	36.9
111.11720	22.2
122.06049	9.7
123.11683	10.8
124.30347	5.3
137.13184	8.7
151.03897	11.2
153.01820	11.0
283.60812	6.8
285.03571	7.5
288.63104	6.9
302.04248	8.7
317.06473	30.9
317.21579	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	318.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45151	2.3
56.40129	2.9
69.03431	6.8
70.06583	5.8
76.73106	3.1
81.03429	11.4
85.02910	5.3
98.32310	3.0
101.00922	9.5
102.16897	2.6
109.02897	8.8
118.01115	3.3
119.01913	29.0
133.03491	6.1
137.02995	5.1
138.05605	3.9
142.03503	21.6
143.01987	10.0
144.10269	3.8
156.05051	4.1
157.03435	16.5
157.93118	3.5
161.03014	12.6
165.05145	11.5
167.01936	4.3
168.05092	4.2
175.04515	15.7
180.05180	11.0
184.04556	18.6
185.02937	4.4
198.06195	11.2
199.04576	3.9
203.04019	5.4
208.04544	8.0
222.06186	5.3
224.07693	5.1
226.05544	6.3
244.07086	3.8
259.06720	4.1
267.08206	3.5
267.26163	3.3
277.07660	35.3
295.08743	38.3
318.10303	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1336
Annotation	Ungiminorine
Peak:m/z	Relative Intensity
56.92373	0.6
57.07067	0.7
58.06586	2.0
63.22973	0.5
72.08128	0.7
78.69518	0.6
79.01833	1.2
85.02865	0.6
88.15314	0.6
91.05466	4.5
93.07037	7.9
95.04942	2.4
97.02905	0.7
103.05446	4.5
106.58064	0.6
112.46927	0.7
121.06499	100.0
125.02312	1.4
143.03397	2.3
153.00555	1.4
153.01819	28.9
153.02802	1.0
158.75682	0.6
160.52577	0.7
166.12224	0.8
177.05499	0.6
257.13821	0.7
318.13333	33.4
333.62531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83610	4.2
57.03423	5.8
60.90373	4.5
61.02918	9.6
69.03415	24.6
74.31019	4.9
81.03386	10.6
84.54763	5.1
85.02901	100.0
91.03953	8.1
95.23459	4.6
97.02890	26.7
109.02862	7.1
112.67414	5.2
117.96812	5.4
121.06487	50.2
127.03896	15.3
145.04964	27.1
171.26649	5.6
180.08667	11.9
187.07520	8.3
220.62358	6.1
247.09763	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	318.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
60.15645	1.4
63.63032	1.3
65.03978	1.6
69.03394	3.7
78.14341	1.5
80.40042	1.5
82.70766	1.4
85.02885	7.0
86.09686	2.2
91.05460	3.9
93.07028	5.4
95.04931	3.0
97.02890	3.3
102.16742	1.5
103.05450	4.1
103.21178	1.5
110.06081	1.8
121.06494	100.0
126.09209	2.4
137.05974	2.1
138.06270	1.8
138.09146	5.5
139.07556	6.8
145.05017	2.2
156.10190	20.8
163.91446	1.5
191.23303	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	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	3.7
56.96554	6.4
57.03431	3.6
61.02917	8.1
69.03408	11.2
73.56447	3.2
79.05507	16.7
81.03384	7.0
85.02896	44.9
91.03923	4.2
93.30936	3.6
95.04942	5.8
95.08573	3.5
97.02874	11.8
107.04945	61.6
109.08630	3.2
127.03944	7.9
139.07527	100.0
145.05002	7.1
148.07596	8.0
276.26126	4.0
290.68295	4.3
318.06744	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	318.2022
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
51.38781	0.9
55.05496	5.9
56.05021	1.2
59.04982	1.4
60.04205	2.1
60.04512	36.9
70.02951	2.3
70.06584	1.6
72.08143	97.9
79.55186	1.2
83.04958	2.2
86.09694	47.1
87.05580	17.6
91.05466	2.6
96.08121	3.1
98.09688	1.7
106.81464	1.4
107.04906	1.8
114.09160	25.0
119.07301	2.3
119.75613	1.3
120.05603	1.4
120.08095	1.5
128.10748	2.7
132.10185	7.5
135.08028	1.8
143.08447	1.5
145.06517	1.8
159.11269	100.0
173.05869	1.5
173.12852	23.5
187.10765	33.9
191.07101	1.7
201.12318	6.3
211.85571	1.3
215.36320	1.6
219.13359	2.8
231.17064	2.2
241.08702	2.9
247.13295	5.5
299.16891	1.5
322.05475	1.7
342.34802	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	318.2427
Annotation	17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-one
Peak:m/z	Relative Intensity
55.05513	2.0
56.96543	11.8
57.07069	18.4
58.06578	6.3
60.77067	2.4
61.53603	2.1
63.89668	2.2
67.05479	7.0
69.11128	2.4
76.26962	2.2
79.05469	4.3
81.07024	3.6
86.42602	2.5
91.05458	6.2
93.07021	10.6
95.08582	10.6
98.97598	2.8
105.07024	14.1
107.08582	12.4
109.10147	9.9
109.83566	2.3
110.07908	2.7
119.08592	4.6
121.06476	5.7
121.10128	9.1
123.11652	4.3
129.38074	2.8
133.06505	34.9
133.10144	25.3
135.08015	15.1
135.11694	23.7
147.08081	10.1
149.09599	10.0
159.08083	3.6
171.07999	3.6
185.09596	5.9
199.11197	6.7
255.17311	13.4
273.18576	4.0
318.24249	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82099	2.5
55.05498	10.6
56.05009	5.7
58.02311	2.9
60.04516	100.0
67.05502	20.3
69.07053	9.9
70.06573	15.9
81.07038	29.0
83.08578	3.8
93.07030	3.8
95.08604	24.7
109.10150	11.7
117.42365	3.5
121.10099	5.4
123.11740	3.6
129.42950	3.4
130.12799	3.1
142.31142	3.4
143.54683	3.6
230.98218	3.3
238.21780	4.3
264.23334	7.5
282.24255	14.2
300.25320	38.7
318.06772	6.3
318.26672	38.0
324.99713	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	318.3
Annotation	4-Hydroxysphinganine
Peak:m/z	Relative Intensity
57.07050	10.3
58.06580	3.0
70.06581	26.7
71.08607	3.6
77.26550	1.8
88.07617	37.1
102.09172	24.3
126.56168	2.2
132.90498	2.0
256.26303	55.2
273.09979	2.5
300.28976	3.1
318.29993	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13448	1.6
52.32283	1.8
53.86459	1.9
57.07065	12.6
58.06568	3.3
60.04509	5.0
65.84393	2.0
70.06584	27.7
71.08588	5.3
72.26628	2.2
88.07622	35.8
102.09187	18.3
123.28468	2.4
135.57649	2.2
156.53244	2.3
170.75684	3.0
182.13219	2.3
248.38464	2.2
250.27750	2.1
256.26355	51.5
256.29031	2.6
318.29996	100.0
318.33719	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	318.2999
Annotation	4-Hydroxysphinganine
Peak:m/z	Relative Intensity
52.58418	2.2
55.05493	9.9
56.05016	6.6
60.04517	100.0
63.18908	2.2
67.05482	20.2
67.05766	2.1
69.07052	11.3
70.06602	15.0
71.29549	2.3
79.05482	5.5
81.07054	16.4
83.08603	6.8
83.75711	2.5
93.05249	2.6
93.07020	3.5
95.08603	19.9
97.10167	3.5
100.22424	2.4
101.24871	2.5
107.08587	3.5
107.19164	2.8
109.10139	8.4
109.61442	2.8
118.16451	2.6
121.10173	5.2
125.55905	2.7
135.11716	3.4
161.71608	3.0
187.32106	2.9
200.14931	2.9
208.68575	3.0
223.49644	3.0
270.27991	6.2
282.27921	13.4
300.28922	37.7
318.29977	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	319.0446
Annotation	Myricetin
Peak:m/z	Relative Intensity
51.76775	0.7
55.01845	1.1
59.34578	0.6
65.03916	0.9
66.87505	0.8
67.01842	1.1
68.99786	4.6
69.03401	1.1
78.94355	0.7
79.01823	1.0
81.03413	1.1
86.36231	1.0
92.47149	0.7
97.02886	1.1
103.05457	1.0
109.02867	3.5
111.00789	6.2
111.04474	1.1
121.06494	0.9
125.02338	1.2
127.03942	1.5
131.04930	1.0
137.02321	4.2
139.03897	1.3
147.04419	1.1
149.94640	1.0
153.01820	28.2
161.05977	1.7
165.01810	6.9
166.02576	1.3
177.05476	1.4
179.03400	3.9
183.02870	2.1
189.05457	2.4
195.02916	1.4
199.03896	1.3
203.03308	2.1
217.04974	8.8
245.04434	9.8
255.02856	1.8
273.03900	7.7
290.04233	2.3
301.03336	2.6
314.15329	1.1
319.04449	100.0
320.04779	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	319.0446
Annotation	Myricetin
Peak:m/z	Relative Intensity
54.41395	1.6
60.04519	3.5
67.05488	3.2
68.99780	3.7
70.67497	1.5
71.05008	2.2
71.53587	1.4
79.05463	2.2
81.03384	2.1
81.07032	3.4
85.26189	1.7
91.05445	3.3
93.03413	1.7
93.07015	2.2
95.08566	2.6
97.06519	2.2
109.02872	2.7
109.10147	2.4
111.00801	5.7
115.05460	2.0
122.34108	1.8
133.29527	1.7
137.02348	6.9
137.05922	2.5
147.23500	1.6
153.01825	33.2
154.02151	2.6
162.44769	1.7
165.01836	7.5
166.02715	1.9
179.03374	4.5
183.02817	2.7
189.05426	4.1
195.02936	2.5
203.03392	2.5
217.04903	9.3
245.04446	11.4
263.05518	2.3
273.04053	8.6
282.24295	2.3
290.04214	3.1
300.25317	4.2
301.03345	2.7
304.04773	5.6
318.07007	3.2
319.04449	100.0
319.07266	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	319.0445
Annotation	Myricetin
Peak:m/z	Relative Intensity
53.41539	1.0
57.07058	1.1
60.04506	0.7
62.19699	0.6
63.04743	0.6
67.05495	0.9
68.99785	4.5
69.03420	1.5
69.07029	1.0
70.06566	1.1
71.47902	0.6
74.06078	0.8
79.01812	0.7
79.05450	1.0
81.03410	1.0
84.04494	0.7
84.08115	1.1
84.09474	0.8
85.06525	1.3
86.09702	2.4
91.05469	1.1
107.04936	1.0
109.02871	3.0
111.00784	7.5
111.04433	1.3
117.07027	1.3
121.02808	0.8
121.06478	1.1
125.02278	1.0
127.03944	1.3
135.04471	0.8
137.02339	5.5
139.03850	1.6
146.11801	1.4
147.04509	0.9
151.03931	1.8
153.01823	28.7
161.05940	1.1
165.01834	6.0
166.02592	1.4
179.03357	3.7
183.02908	2.1
189.05452	2.6
195.02872	1.9
199.03844	1.0
203.03380	1.3
207.02869	1.2
211.46446	0.8
217.04948	9.6
219.02806	0.9
244.03595	0.9
245.04352	8.1
249.22543	0.9
263.05496	1.1
273.03906	8.3
286.43832	0.9
290.04126	1.6
301.03360	2.1
319.04453	100.0
319.11600	9.1
320.04794	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0447
Annotation	Myricetin
Peak:m/z	Relative Intensity
65.03910	1.3
68.99764	4.7
69.07043	1.5
86.09235	1.3
86.09692	8.2
99.93418	1.3
109.02859	3.5
111.00783	6.0
127.03908	1.5
130.32265	1.4
137.02373	4.0
139.03908	2.0
153.00566	2.1
153.01819	29.6
158.95195	1.2
165.01810	7.1
179.03391	3.0
183.02808	1.3
189.05489	3.7
195.02881	1.5
203.86725	1.3
217.04933	9.6
227.03415	1.9
245.04457	9.6
273.03973	5.1
319.04453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0447
Annotation	Myricetin
Peak:m/z	Relative Intensity
50.73307	0.5
50.81786	0.5
55.01852	0.9
55.83302	0.6
65.03913	1.4
65.49989	0.6
67.01860	0.9
68.99780	4.5
69.03416	1.2
70.06564	0.8
72.98629	0.7
75.33850	0.7
79.01804	0.9
81.03400	1.5
83.04944	0.8
91.05461	0.9
93.07030	0.9
97.02909	0.8
103.05407	0.7
109.02856	3.3
111.00133	0.8
111.00806	7.7
111.04436	2.5
127.03947	1.3
132.06636	0.8
137.02336	5.4
139.03899	1.0
147.04323	0.9
153.01828	28.0
157.75894	0.8
161.05894	0.8
165.01862	7.5
166.02641	1.1
171.04295	1.1
175.03847	0.9
177.05449	1.2
179.03368	4.0
183.02875	2.1
189.05492	2.5
195.02901	1.7
199.03891	0.8
203.03368	2.3
217.04912	9.6
221.04428	1.2
227.03331	1.3
244.03726	1.0
245.04414	10.0
255.02716	1.5
263.05441	1.1
273.03915	8.4
283.02441	0.9
290.04196	2.0
301.03397	2.2
319.04453	100.0
320.04602	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	319.081
Annotation	Acremonidin E
Peak:m/z	Relative Intensity
50.43880	2.7
51.73935	2.9
55.01838	4.1
55.08986	3.2
56.96536	3.1
67.05482	3.4
79.05510	3.7
82.52393	2.9
84.62270	3.4
91.05452	3.9
95.04987	4.9
97.67991	4.0
107.04927	7.0
121.02876	4.9
123.04442	8.8
133.02840	4.1
135.04393	7.7
139.03902	45.4
151.03906	100.0
153.05479	7.4
163.03918	19.0
189.05496	8.9
193.04918	5.0
319.08102	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0811
Annotation	Lecanoric acid
Peak:m/z	Relative Intensity
52.43515	2.2
55.01861	5.7
63.35395	2.5
67.05501	4.8
69.03419	2.8
70.06572	8.2
72.08154	4.2
73.26292	2.5
83.04991	3.7
84.08128	4.5
85.02896	4.9
86.09704	8.5
91.05485	3.7
95.04980	5.9
97.02916	3.1
107.04914	6.0
107.14748	2.6
121.02845	3.5
123.04436	8.8
127.03902	6.4
127.51418	2.5
133.02895	4.5
135.04411	14.4
139.03899	75.2
145.89415	2.8
147.04451	3.3
151.03894	100.0
153.05470	7.9
159.04488	3.4
163.03914	32.7
165.05382	3.3
169.04884	3.1
177.05446	4.2
179.03271	3.2
181.04976	14.6
185.05978	3.3
189.05496	10.7
193.05005	7.4
193.69234	2.9
195.06528	7.7
205.04906	3.1
233.08031	6.4
275.01993	4.8
301.07056	6.8
309.51178	3.3
319.04535	5.4
319.07947	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	319.0813
Annotation	Lecanoric acid
Peak:m/z	Relative Intensity
54.51121	1.8
54.99742	1.6
55.01862	3.4
56.96562	4.4
57.03421	1.8
57.07072	1.7
61.33283	1.6
67.05508	5.2
69.03428	2.9
69.07043	2.0
70.06574	10.0
70.51914	1.9
72.08144	6.6
76.22909	1.8
79.05475	2.8
81.03395	2.6
83.10342	2.1
84.04507	4.9
84.08078	2.3
85.02885	5.5
86.09692	4.8
93.07057	2.1
94.86082	2.1
95.04976	7.7
102.05614	2.3
105.03374	3.1
107.04972	5.8
121.02878	2.6
123.04391	11.5
127.03928	4.8
133.02841	4.4
135.04420	8.2
138.09193	2.8
139.03897	59.5
151.03902	100.0
153.05484	4.5
159.04459	3.0
163.03912	18.7
165.05443	3.4
169.04991	5.6
177.05598	3.0
181.04997	8.7
189.05495	9.3
193.04884	3.5
195.06635	2.9
213.05469	3.1
233.08192	2.9
255.06532	3.8
301.07053	6.1
319.08026	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	319.0964
Annotation	4:5
Peak:m/z	Relative Intensity
50.32775	2.1
57.07045	3.3
70.06583	4.5
70.94749	2.9
73.86835	2.2
88.07597	5.2
110.99673	2.4
135.69447	2.7
182.77933	2.7
190.07829	3.1
202.07768	11.3
203.08519	49.0
205.10100	6.8
215.08574	3.6
218.07263	4.3
231.08060	41.3
233.09627	6.0
235.07590	9.2
246.06703	14.4
256.26260	4.2
259.07553	9.3
261.09088	37.5
263.10678	9.0
274.06171	9.2
289.08539	42.0
290.05713	8.0
291.06534	5.7
303.06454	9.9
304.07141	12.5
318.30023	5.8
319.09625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1174
Annotation	Evofolin B
Peak:m/z	Relative Intensity
65.03940	3.8
67.05484	2.8
89.03894	4.1
91.05476	2.4
95.04948	3.9
108.02103	5.6
109.02780	1.7
113.20540	1.7
121.06512	4.5
128.92564	1.7
131.04965	2.4
132.06558	3.1
134.03635	2.0
135.04370	1.8
137.05960	8.2
141.05464	7.3
148.92003	1.6
149.05971	90.5
151.03900	100.0
151.04984	9.3
151.07622	2.5
153.05737	1.9
153.06931	9.2
158.36243	1.8
177.05458	100.0
181.06483	9.9
209.05957	3.5
213.09131	6.1
241.08542	7.9
269.08005	2.8
273.11185	16.9
301.10577	10.1
332.15933	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1175
Annotation	Evofolin B
Peak:m/z	Relative Intensity
63.52542	2.9
65.03921	4.3
67.05484	4.7
91.05474	14.7
95.04977	5.3
121.06493	6.8
122.06841	4.3
131.04933	6.6
134.03635	4.3
135.04413	3.7
137.06012	9.9
139.01704	3.3
139.03882	3.3
141.05403	4.9
149.05978	76.0
151.03908	93.8
151.04985	8.4
151.07692	4.4
153.06941	9.6
177.05458	100.0
181.06535	13.6
199.61874	3.1
241.08559	5.0
264.86539	5.4
273.11191	14.7
301.10629	7.4
319.04590	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	319.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
63.52542	2.9
65.03921	4.3
67.05484	4.7
91.05474	14.7
95.04977	5.3
121.06493	6.8
122.06841	4.3
131.04933	6.6
134.03635	4.3
135.04413	3.7
137.06012	9.9
139.01704	3.3
139.03882	3.3
141.05403	4.9
149.05978	76.0
151.03908	93.8
151.04985	8.4
151.07692	4.4
153.06941	9.6
177.05458	100.0
181.06535	13.6
199.61874	3.1
241.08559	5.0
264.86539	5.4
273.11191	14.7
301.10629	7.4
319.04590	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	319.1174
Annotation	Evofolin B
Peak:m/z	Relative Intensity
50.65911	1.5
55.01852	1.8
56.38391	1.2
61.42817	1.2
65.03938	2.3
67.05496	4.0
70.01116	1.3
71.70413	1.5
89.03928	2.6
91.05466	3.8
95.04952	3.9
107.04990	2.6
108.02099	2.3
117.03396	1.9
121.06499	4.9
134.03632	3.1
137.05928	8.5
141.05478	4.6
145.98178	1.7
149.05965	67.3
149.07167	3.4
151.03900	81.6
151.05005	8.0
153.05701	2.1
153.06970	8.3
169.06609	1.9
174.16599	1.3
177.05450	100.0
181.06462	9.4
198.06822	1.7
209.06032	2.0
213.09183	4.5
241.08594	6.9
269.07965	3.5
273.11163	15.0
301.10614	8.8
332.23068	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	319.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	9.8
56.05072	3.3
62.14957	3.5
70.06585	4.7
80.21342	3.4
82.50828	3.6
91.05484	4.0
98.09710	3.5
100.81882	3.8
114.21273	4.4
131.61079	4.1
139.03969	7.0
146.09764	4.1
151.03952	6.8
153.88155	3.7
162.69966	4.4
174.68307	4.5
178.08698	11.5
227.11865	5.1
231.11414	18.3
245.12915	7.5
255.11177	5.9
259.11011	17.1
261.47040	5.1
273.12332	30.5
276.30829	5.1
291.13501	6.6
301.11768	25.6
319.13010	100.0
343.21805	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	319.2265
Annotation	(+)-Phomactin G
Peak:m/z	Relative Intensity
50.25526	1.1
55.05505	5.5
56.32328	1.2
57.07063	3.5
65.89075	1.2
67.05504	2.7
69.07066	4.6
70.60549	1.2
77.03896	1.4
79.05489	1.7
83.08609	3.0
88.02687	1.6
88.28071	1.3
91.05482	4.0
95.05026	1.6
105.03391	5.0
105.07035	6.6
107.04966	10.4
107.08588	3.7
107.18544	1.3
109.02144	1.5
109.55576	1.4
113.50639	1.4
117.07073	1.7
117.70875	1.5
119.08571	3.1
131.08525	1.4
133.02827	1.7
133.06503	5.6
133.71527	1.5
135.04485	2.1
147.08029	6.2
150.94615	1.7
151.03902	100.0
161.05995	6.5
161.09622	2.5
175.07527	4.3
179.07042	12.9
193.08589	2.6
224.07532	1.6
301.21567	10.2
311.66367	1.7
319.22598	22.0
341.78284	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	319.2266
Annotation	(+)-Phomactin G
Peak:m/z	Relative Intensity
55.05512	8.7
56.56211	1.5
57.07058	5.3
60.33505	1.4
61.08430	1.5
67.05486	3.5
69.07043	9.5
81.07050	6.9
82.14035	1.9
83.08596	2.2
88.97568	1.7
91.05476	4.8
95.08611	4.4
97.10168	3.8
103.05515	2.2
105.03391	6.8
105.06992	11.4
107.04955	20.3
109.06466	2.2
116.73559	2.0
117.07035	4.4
119.08577	3.1
129.06906	1.9
131.08542	1.8
133.06496	16.1
135.04460	3.9
138.18034	2.4
145.06503	6.6
147.08051	14.4
147.38142	1.8
149.05975	2.1
151.03909	100.0
157.06450	1.8
159.08011	4.0
161.05957	11.7
161.09567	2.4
171.08081	1.8
175.07513	3.8
179.07057	11.1
185.09758	2.0
193.08607	4.6
283.20432	2.0
293.44138	2.1
301.21707	5.6
319.22629	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	319.2267
Annotation	CAY10410
Peak:m/z	Relative Intensity
52.16915	10.0
53.21668	9.0
55.05495	20.7
56.96544	9.5
57.12104	9.7
67.05493	100.0
69.07049	51.6
70.06605	9.8
79.05492	60.8
81.07045	92.5
83.04964	14.4
83.08631	15.0
91.05479	97.5
93.07027	93.0
95.04956	33.9
95.08594	47.7
97.06522	25.8
105.07046	70.6
107.08589	37.4
109.06514	25.2
109.10144	29.2
114.84005	12.3
117.07009	25.2
119.08578	48.9
121.06498	31.1
121.10109	32.6
123.07967	12.4
123.11697	12.9
126.66320	11.1
128.06172	20.5
129.07001	23.9
130.03960	10.3
131.08575	38.3
133.10117	49.2
135.08051	23.1
143.08566	25.9
145.10130	28.2
147.04436	13.7
147.08040	22.2
147.11710	17.1
149.09680	17.2
151.11142	14.8
157.10083	22.1
159.11507	14.4
161.09619	24.0
163.11278	17.1
171.11739	26.4
173.13239	28.1
192.35709	11.5
195.11690	11.8
199.14880	33.4
203.14487	14.1
209.13327	12.9
217.15935	22.8
231.07825	17.0
255.20987	16.7
271.72113	11.5
272.26028	13.6
292.46191	12.7
301.21552	89.6
319.22668	45.3
319.30197	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	319.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58693	5.2
55.05514	32.5
57.07058	12.4
60.03998	5.2
65.03916	9.5
67.05498	100.0
69.03428	8.7
69.06740	6.5
69.07066	45.9
71.05001	8.3
72.59610	5.3
79.05488	28.5
81.07054	99.6
83.08616	11.9
87.42985	5.7
88.07623	14.5
91.05479	50.0
92.05787	6.8
93.07039	47.6
95.04971	29.1
95.08602	81.5
97.06522	15.8
97.10197	8.1
97.41501	6.8
100.29101	5.6
104.28887	6.2
105.07015	26.3
105.07695	6.4
107.04932	37.2
107.08597	20.7
107.32687	5.8
109.06496	10.2
109.10156	29.9
113.06044	9.0
117.06989	7.3
119.08595	19.1
121.10125	23.8
123.08051	12.2
123.11732	9.8
131.08582	24.2
133.10153	11.5
134.72842	6.3
135.11705	15.1
145.10173	11.8
147.08066	6.4
147.11716	14.3
159.11734	8.5
175.14867	6.5
228.16719	7.7
283.24210	16.2
301.25348	12.8
318.30136	10.1
319.26489	15.2
319.30423	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54599	3.0
50.96106	2.9
54.36880	3.2
55.01873	4.6
55.05506	37.0
55.35696	4.1
57.07053	7.7
62.52597	3.6
67.05495	100.0
68.37177	3.3
68.51313	3.3
69.07055	49.5
79.05483	23.7
79.05863	3.8
81.07043	93.2
81.10558	4.2
81.64733	3.8
83.05000	4.6
83.08601	14.3
83.34266	3.7
88.07606	6.8
90.93892	4.3
91.05478	39.3
93.07045	42.9
95.04958	29.8
95.08593	69.5
97.06528	8.5
97.10155	14.7
105.07018	26.5
107.04936	34.3
107.08572	19.6
109.06551	9.0
109.10161	30.3
111.11708	4.7
113.05952	7.4
117.07025	11.5
119.08587	19.9
121.06509	13.0
121.10137	19.4
123.08070	12.8
123.11706	11.0
128.50548	4.1
129.07024	4.2
131.08556	18.4
133.06461	9.3
133.10114	13.2
134.51703	4.1
135.08052	6.6
135.11696	14.1
137.13258	6.2
145.06508	6.1
145.10077	12.9
147.08018	13.0
149.09590	7.9
149.13220	9.1
151.14832	4.0
157.10153	4.1
159.11649	9.1
161.13341	6.8
171.11679	5.1
175.14847	4.4
185.13335	6.0
187.14864	4.3
194.24039	4.3
213.16315	5.0
257.26743	4.9
283.24222	13.3
301.17911	12.1
301.25357	15.4
319.26416	13.1
319.30255	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	319.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05828	2.0
53.03925	2.5
55.01847	2.7
55.05504	24.2
56.66557	2.1
57.07055	10.5
67.05496	33.5
69.07063	37.9
71.08602	5.2
72.15453	2.1
73.30064	2.1
79.05476	8.2
81.07046	26.7
83.08611	21.4
91.05463	9.7
93.07049	11.0
95.04964	36.8
95.08603	26.0
97.10155	12.4
102.26945	2.7
105.07006	14.1
106.56734	2.5
107.04944	100.0
107.08572	4.7
109.10152	10.0
111.11709	3.4
119.08578	10.6
121.06490	7.3
121.10143	6.5
123.04452	6.0
123.11712	3.0
130.87199	2.5
133.06503	29.1
133.10107	6.0
135.11696	2.7
145.58176	2.8
147.08011	21.0
161.09645	4.1
301.25406	2.9
319.26321	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	319.263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	5.3
67.05485	2.6
69.07057	1.6
75.63879	1.5
79.05479	5.6
81.07024	1.9
83.08548	1.5
91.05476	4.2
95.04951	4.6
95.08588	1.9
105.07029	7.0
107.04950	100.0
119.08630	1.7
121.06500	3.2
133.06483	60.3
133.07491	3.4
147.08026	20.3
151.03909	2.4
202.61008	1.9
268.81860	1.8
279.64059	1.6
301.25174	9.0
319.26239	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	319.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	33.0
57.07060	13.4
67.05497	100.0
69.07058	38.1
71.08604	9.1
79.05498	14.0
80.26086	6.7
81.07046	85.9
83.04993	6.7
83.08620	15.7
83.85611	6.5
91.05480	18.7
93.07052	42.5
95.04961	19.2
95.08597	75.2
97.06527	14.3
103.63308	8.3
105.07035	20.4
107.04964	33.6
107.08561	13.1
109.06473	8.6
109.10166	25.0
109.33303	8.6
117.07114	10.2
119.08582	14.1
121.10132	11.4
123.08109	8.9
123.11681	19.6
131.08592	11.7
135.11743	12.0
143.08514	9.7
145.10078	16.1
147.08018	11.3
147.11780	8.2
149.09634	9.4
149.13235	12.9
159.11722	9.2
185.13232	8.1
196.09488	8.4
283.24176	18.4
301.25235	16.9
319.26218	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	319.2629
Annotation	(plusmn)-CP 47,497
Peak:m/z	Relative Intensity
53.53107	6.0
55.05516	30.8
57.07074	14.1
63.44379	6.3
67.05492	83.3
69.07075	37.3
79.05513	24.9
81.07044	100.0
83.08635	32.3
91.05503	23.3
93.07035	43.4
95.04989	12.5
95.08598	71.0
97.10184	16.2
105.07052	27.7
107.04985	36.6
107.08608	16.6
109.06499	9.0
109.10180	27.6
119.08604	13.5
121.10163	16.1
123.08078	9.8
123.11754	9.3
128.40955	8.4
131.08615	19.9
133.10207	15.4
135.11803	11.3
137.13229	8.1
149.09608	11.2
165.26924	8.3
245.68794	8.5
301.25519	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	319.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50965	6.7
55.05516	10.8
57.07056	11.3
58.27067	8.8
63.01044	6.8
67.05491	90.3
69.07060	22.3
71.08598	12.8
72.00889	7.7
79.05469	45.9
79.54244	7.4
79.79539	7.5
81.07045	100.0
83.08590	10.4
91.05482	26.3
93.07047	57.6
95.08592	81.8
97.67836	8.6
105.07014	19.4
107.04984	14.3
107.08565	31.1
108.22358	8.0
109.10147	39.3
110.32288	9.5
114.47961	9.3
119.08569	15.1
121.10141	34.1
123.11688	12.4
133.10158	14.4
135.11685	28.3
145.27106	9.5
149.13228	19.8
161.13159	9.7
163.14830	12.6
166.95023	9.3
168.34404	8.5
176.68469	8.5
257.60950	10.8
319.26328	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.9
57.07066	4.4
58.10369	1.7
62.28510	1.7
67.05500	2.1
71.08618	2.5
77.09130	1.9
79.05500	5.3
85.10158	2.3
88.13204	1.9
91.05470	3.0
95.04980	3.7
95.08600	2.7
105.07024	7.3
107.04946	100.0
121.06520	4.0
128.69162	2.4
133.06483	57.7
143.68602	2.3
147.08029	19.2
161.09360	2.4
224.49632	2.3
293.91422	2.5
301.25284	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	319.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58889	7.3
57.07064	100.0
69.07054	9.3
71.08625	61.6
85.10171	33.8
89.06019	46.5
104.99258	51.0
108.98568	7.7
130.08717	10.5
132.70001	8.0
133.08626	10.7
151.09679	34.2
240.72690	10.5
243.16064	9.6
319.22333	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	5.4
55.05498	4.4
57.07063	5.2
61.81761	3.3
67.05484	11.1
67.05824	3.4
70.06544	5.3
72.00343	3.2
76.02056	2.7
79.05491	22.1
80.72213	2.9
81.07048	13.8
84.55840	3.2
86.09705	4.0
91.05475	11.9
91.71601	5.6
93.07047	16.5
95.04949	4.9
95.08612	4.8
98.97565	8.2
105.07034	8.1
107.08589	76.5
107.09280	6.3
109.06493	6.7
111.04444	14.1
117.07008	15.8
121.06507	10.4
125.09645	3.8
126.43272	3.3
135.08057	55.5
145.82999	3.5
153.09074	21.8
163.07541	100.0
181.08589	54.4
194.80501	4.0
199.09688	11.2
267.08591	19.5
288.99396	4.4
303.10858	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	320.881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73973	3.5
70.06576	8.5
71.05006	5.0
71.45551	4.9
80.91797	4.3
81.03407	9.7
85.02855	7.0
88.41444	4.8
94.93005	57.0
105.39653	4.3
116.07097	7.7
119.01935	7.8
121.01646	17.7
126.02149	5.5
142.03490	6.8
144.03282	14.2
144.06367	4.9
148.88049	17.3
159.03209	7.6
163.02733	8.4
167.04803	6.1
177.04195	6.7
182.04930	10.5
186.04364	17.1
187.02765	7.0
188.91165	6.5
195.51234	5.2
200.05981	11.4
206.92226	5.4
215.77353	4.8
230.88503	11.1
232.90157	9.8
279.07593	17.1
297.08514	16.0
320.10153	100.0
321.05994	6.7
321.10495	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	321.0605
Annotation	2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Peak:m/z	Relative Intensity
50.51613	5.7
50.56703	6.4
53.15332	4.6
54.38972	5.5
55.01880	5.6
56.05040	10.7
56.96531	10.8
60.04514	10.7
67.01871	6.3
68.99776	10.8
69.03409	6.7
69.32700	5.8
70.06588	16.4
70.43723	7.1
72.08150	11.0
72.22606	5.8
74.06060	14.5
75.82787	6.0
80.45518	6.4
81.03427	10.6
81.55523	6.9
82.71362	7.7
84.04451	7.2
85.02939	6.7
86.09700	22.4
91.71706	6.4
91.83581	7.4
92.21208	6.6
109.02925	9.4
110.86182	8.8
111.00810	11.0
116.07110	21.1
117.37785	6.7
121.02879	18.9
122.02746	10.6
127.03928	8.3
139.03902	64.2
149.02339	100.0
151.03946	15.1
153.01831	78.5
155.03423	25.6
163.03903	20.4
167.03433	9.4
173.05992	7.8
179.03488	13.3
189.08704	10.9
191.03380	10.3
193.04948	11.9
195.02869	8.2
201.05566	14.9
219.02838	49.8
229.04996	23.0
247.05977	41.3
257.04532	9.5
261.03986	8.6
262.79678	7.7
275.05502	79.7
275.23010	7.3
303.04926	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	321.0967
Annotation	4'-O-Methylgallocatechin
Peak:m/z	Relative Intensity
63.93082	0.8
65.03921	2.1
67.05498	2.0
68.99780	2.2
79.05458	1.8
81.07006	0.8
83.04972	1.4
86.43523	0.9
90.56815	0.8
91.70986	1.0
95.04958	3.5
95.08577	0.9
100.23184	0.9
103.05458	1.0
105.03381	1.2
107.04933	3.8
110.03670	4.6
111.04469	1.8
121.02897	1.6
123.04446	1.0
133.02798	5.4
135.04410	8.3
138.03111	6.4
139.03896	46.2
149.05980	2.4
153.05457	100.0
159.04459	2.7
163.03902	7.7
165.05383	0.9
177.05383	1.3
183.06520	6.5
195.06544	3.5
202.91171	0.9
209.08136	2.1
300.32193	0.9
303.08777	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	321.0967
Annotation	4'-O-Methylgallocatechin
Peak:m/z	Relative Intensity
55.01881	1.1
55.29943	1.1
56.96557	1.9
61.34200	1.0
65.03936	1.1
67.05495	1.3
67.52743	1.4
68.99795	1.5
70.06607	2.4
79.05476	1.3
88.67200	1.2
91.05440	1.3
94.31824	1.2
95.05006	3.9
98.97590	2.8
102.84907	1.1
107.04961	2.0
111.04475	1.4
116.98598	2.0
123.04438	2.3
135.04437	3.1
138.03188	5.8
139.03896	57.5
140.00275	2.0
141.98615	1.5
149.06036	2.1
151.04062	1.9
152.06020	1.4
153.05455	100.0
159.04506	2.0
163.03908	9.5
177.05551	4.6
183.06618	2.1
195.06625	3.5
237.02899	2.0
242.03351	2.3
257.91907	1.5
260.04486	2.7
264.18268	1.6
274.65613	1.4
283.06213	3.2
302.05453	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	321.1119
Annotation	Betulinan A
Peak:m/z	Relative Intensity
60.80520	3.1
67.05471	4.7
69.76723	2.8
73.97792	3.1
75.69269	3.3
79.05506	5.2
103.05464	6.9
106.91049	4.2
133.06511	4.1
135.04420	30.5
159.04419	39.0
161.05969	4.8
175.07727	5.4
199.07642	6.0
202.07747	27.5
203.08557	58.3
213.06985	3.7
215.08510	4.8
219.08125	7.0
220.08797	9.6
230.07347	5.0
231.08052	79.4
232.08698	7.4
243.08220	4.2
247.07574	7.8
248.08298	19.7
258.06723	5.4
259.07507	55.9
260.08304	25.5
261.09134	20.0
263.10742	16.7
276.07751	8.4
289.08612	49.7
291.10095	41.8
301.74496	4.0
306.08871	6.4
321.11191	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	321.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06067	2.5
59.89256	2.3
62.74636	2.6
63.07761	2.8
68.44970	3.0
76.98898	3.0
81.96270	3.0
130.18028	3.3
194.07323	4.6
197.69748	3.3
202.07825	4.1
203.08614	11.5
205.06453	8.2
221.05797	3.5
222.06757	14.8
231.08073	9.6
233.05948	7.7
234.06685	4.6
248.04752	4.3
250.06256	11.5
261.05527	4.6
261.09152	3.5
263.10794	3.6
265.08621	11.2
278.05844	7.8
289.08646	10.8
291.10229	11.3
293.08069	8.8
306.05295	6.8
319.05951	13.2
321.07608	100.0
321.11282	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	321.1541
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
51.80131	0.8
52.67394	0.8
56.40474	0.9
57.11571	0.7
59.90558	0.9
67.05493	2.1
71.04982	52.2
79.05489	1.0
81.07043	1.2
82.85641	0.9
95.04961	3.0
95.08585	4.9
99.04449	14.9
123.08060	4.5
139.03973	1.2
141.09094	100.0
153.05460	2.1
159.10190	3.7
250.96802	1.2
293.23227	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13351	3.0
54.26068	2.9
55.05483	10.8
67.05483	19.1
69.07058	45.0
71.04975	23.3
75.99478	3.3
79.15462	4.1
80.14938	3.8
81.03412	4.8
81.07046	7.8
85.06525	10.8
87.04495	4.1
88.71865	4.1
89.41552	4.3
91.05462	4.1
93.07017	6.1
95.08039	8.1
95.08600	100.0
99.04450	46.5
112.04781	4.4
115.07552	50.5
123.08035	7.2
130.60811	3.9
130.62485	4.2
139.03940	4.2
140.91440	4.4
141.09087	87.2
159.10150	39.7
182.11726	5.0
236.27016	4.9
278.98767	4.5
290.62936	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	321.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56668	4.9
54.22916	5.2
55.05504	11.2
56.05834	7.2
60.04275	6.4
60.04523	72.1
61.04845	11.9
66.98944	6.8
67.05493	29.0
68.05830	13.1
69.07063	19.0
69.09495	5.9
70.06569	11.0
79.05510	10.4
81.07052	29.7
82.07368	11.4
91.05492	10.2
93.07027	13.3
95.05013	8.2
95.08610	17.8
99.18820	5.9
105.06985	7.9
110.93947	6.6
111.81446	6.9
119.04932	6.8
121.10130	6.7
138.80489	7.4
204.01170	8.1
245.41277	7.8
270.64859	7.7
284.28732	13.7
302.29581	26.6
303.29898	9.7
320.30661	31.3
321.16687	100.0
321.20236	9.9
321.31128	12.6
337.50845	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	321.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.2
56.73124	2.4
67.05507	4.9
79.05469	3.1
79.22920	3.0
81.07041	4.9
87.88630	2.7
91.05446	3.9
91.71632	3.5
101.64766	2.8
105.07013	3.5
105.95612	2.8
112.94176	2.9
114.39057	3.1
145.10110	3.5
153.24834	3.3
321.16721	100.0
321.20151	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	321.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.2
56.73124	2.4
67.05507	4.9
79.05469	3.1
79.22920	3.0
81.07041	4.9
87.88630	2.7
91.05446	3.9
91.71632	3.5
101.64766	2.8
105.07013	3.5
105.95612	2.8
112.94176	2.9
114.39057	3.1
145.10110	3.5
153.24834	3.3
321.16721	100.0
321.20151	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	321.1696
Annotation	Zearalanone
Peak:m/z	Relative Intensity
51.01183	10.3
52.31072	9.8
53.65306	10.6
53.82824	10.5
55.24897	9.8
57.06836	9.2
57.07063	74.2
67.05488	10.9
69.07060	24.9
73.01851	11.1
74.07439	10.6
87.26904	11.6
91.05489	14.1
91.71714	12.0
93.07025	30.8
95.08594	17.0
99.94807	13.3
100.57156	12.6
105.07016	25.4
107.08636	12.2
113.43763	12.5
118.28814	13.1
119.08559	23.5
131.08514	14.9
137.05997	18.4
145.06514	35.7
147.04422	18.4
155.08516	14.2
157.10109	23.5
161.09854	14.1
165.38004	13.4
173.09628	25.2
185.09615	19.9
201.09047	23.8
203.10719	27.1
213.12733	87.5
256.69720	15.4
259.13324	50.8
265.10550	16.6
277.14249	100.0
303.15854	19.3
321.16779	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1695
Annotation	Zearalanone
Peak:m/z	Relative Intensity
50.00366	5.6
50.09233	4.4
51.40506	5.2
55.01863	8.8
57.03415	6.5
57.06827	7.1
57.07069	64.0
58.24347	5.7
58.43613	5.4
61.44055	5.6
61.84854	6.0
64.76212	5.3
67.05505	7.7
69.03385	8.9
80.94853	6.4
81.07045	15.0
85.02888	29.3
85.06533	13.4
91.05470	6.8
93.07011	8.5
95.08595	8.2
105.07005	32.1
107.08595	12.2
119.08564	10.3
121.06469	7.0
128.06221	5.9
129.06973	12.3
133.06433	10.4
143.08525	29.0
145.06525	10.2
145.10086	10.4
147.08063	11.6
155.08585	46.1
158.07309	12.5
159.08102	10.2
163.34055	8.0
170.47745	6.7
171.08026	24.0
173.09642	16.9
177.12685	9.3
183.08044	25.1
201.09105	18.8
201.12767	30.7
215.14384	8.6
217.12233	21.5
229.15768	10.8
239.14310	19.7
254.27545	7.2
255.13680	8.4
257.15421	11.6
263.03430	6.8
267.13806	8.6
270.09634	7.3
285.14713	12.2
303.15854	33.0
321.16946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71461	5.2
53.03893	4.6
55.05490	8.0
57.07066	41.9
67.05457	5.3
69.07036	5.5
80.69137	4.6
81.07027	21.7
83.04974	48.9
83.08622	6.9
85.06540	11.7
91.05460	17.3
93.07018	17.6
95.08582	13.4
105.07021	16.0
107.08585	10.9
109.06509	6.6
111.08076	5.9
117.07052	10.7
119.08559	17.3
121.02872	14.1
121.06506	10.5
131.08577	23.2
133.10115	12.7
135.04428	8.9
135.08043	15.7
140.44322	5.5
143.08626	6.3
145.06543	7.3
145.10149	11.0
147.04456	7.4
149.02336	27.1
149.09537	7.7
159.08029	17.4
163.07558	30.6
173.09647	11.1
173.13194	11.2
175.14780	9.2
177.09129	10.0
181.08589	16.5
189.09091	6.3
191.07048	8.0
191.14293	17.3
193.10103	15.5
201.12791	18.6
203.14252	9.7
211.11183	21.1
219.13785	87.5
247.13289	50.8
249.15958	6.0
259.20493	7.4
265.14346	100.0
269.86542	5.9
302.84521	6.0
302.93246	6.2
303.19550	36.5
321.20590	18.0
322.78391	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	321.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49203	2.2
52.91557	2.1
53.03938	3.6
54.04142	2.2
55.01864	5.6
55.05495	4.6
55.74478	2.6
57.03422	12.3
57.94030	2.5
61.22235	2.4
64.36602	2.6
65.35840	2.4
67.05499	18.3
67.12768	2.7
69.07061	100.0
72.35676	2.9
79.05498	22.0
80.80049	2.8
81.03429	4.9
81.07036	20.0
83.04984	9.4
91.05466	23.7
91.71725	3.0
93.07043	20.9
95.04980	8.1
95.08604	7.7
97.06515	8.7
97.49094	2.7
104.13924	2.6
105.07035	12.1
107.04966	21.8
107.08595	10.4
107.87428	2.8
109.06508	14.4
109.68658	3.1
117.07015	4.1
119.08580	5.3
120.88375	3.1
120.90133	2.8
121.10152	11.1
131.06787	2.8
131.08575	15.5
133.06546	7.1
133.10156	9.0
135.08112	6.4
142.43860	3.2
149.09613	30.3
151.11183	8.1
171.10164	13.7
177.09081	4.8
183.10120	19.3
307.54016	3.2
321.20685	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	321.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	22.3
55.05507	17.3
57.03420	49.6
59.71008	10.9
67.04377	10.5
67.05502	80.0
69.07063	100.0
79.05497	68.2
81.07041	86.9
83.04971	17.1
83.13013	13.2
91.05486	84.3
91.71598	34.7
93.07051	95.3
95.05001	28.0
95.08604	33.0
97.06528	20.1
105.07030	50.6
107.04974	36.4
107.08582	43.0
107.99270	16.0
109.06506	25.1
109.10141	30.7
117.06982	35.1
119.08567	38.3
121.10136	47.5
131.08572	66.0
133.10150	44.2
143.25020	15.8
145.06453	19.0
145.10091	36.4
149.09656	47.9
151.11264	20.3
159.11684	18.6
163.11168	23.8
173.09798	13.4
179.10696	29.8
187.11200	19.5
201.16422	25.6
219.17456	35.5
229.15695	18.1
247.16949	53.2
265.18152	31.8
321.20682	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	27.4
55.01847	16.7
55.05494	10.9
55.91016	7.7
60.33507	9.5
63.52250	6.7
65.06383	7.8
67.05497	93.6
67.78916	10.5
69.06738	8.5
69.07059	45.2
71.08595	9.8
79.05479	22.3
79.85402	8.3
80.47123	7.7
81.03406	93.0
81.07047	43.1
83.04970	19.2
91.05469	95.0
93.07035	28.9
95.04948	55.5
95.08617	18.9
97.06548	17.0
105.07040	40.1
107.08597	16.1
109.10141	12.9
113.06015	11.4
114.76054	9.9
117.07001	22.6
119.08597	69.3
133.10112	100.0
136.72264	11.5
143.08524	18.1
149.85204	9.9
151.11166	71.5
161.09590	58.8
172.67348	9.2
179.10672	81.1
180.91162	9.8
218.43222	9.2
252.66769	10.0
303.23190	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2422
Annotation	6-Oxocativic acid
Peak:m/z	Relative Intensity
50.83995	4.6
52.88046	5.6
53.00285	8.1
55.01863	6.1
55.05497	12.3
57.03430	6.8
57.07051	12.6
63.47601	4.4
67.05497	52.1
67.15176	5.2
69.07036	12.1
71.08620	100.0
79.05074	5.9
79.05486	37.4
80.34794	6.8
81.03392	7.5
81.07048	41.5
83.04981	9.5
83.38846	5.6
84.86385	5.8
91.05475	44.1
93.07036	36.7
95.04958	13.8
95.08598	22.9
97.06527	23.5
99.08078	46.9
105.07025	34.4
107.08592	16.4
109.06586	6.0
109.10114	8.9
117.07045	14.3
118.09730	6.8
119.08577	23.3
121.10133	16.9
123.08067	6.6
127.11255	7.2
129.06993	9.0
131.08559	25.1
133.10167	15.5
143.08578	13.0
145.10130	26.7
147.11667	10.3
151.11208	19.9
163.11191	6.7
167.44814	5.7
169.10155	8.5
171.11612	50.5
172.80029	6.2
183.11810	7.2
187.14842	27.1
189.12740	11.4
197.13339	7.5
201.16460	13.5
205.15872	11.7
219.17560	16.8
226.82085	7.1
267.21002	8.6
285.22058	8.1
333.80835	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	321.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20394	4.3
52.50303	4.4
52.89106	4.2
53.00299	4.3
55.05476	3.7
57.07069	38.1
59.10866	4.3
61.13781	4.0
67.05496	8.7
69.07050	16.1
71.08618	46.6
79.05514	5.7
81.07065	11.3
83.50489	4.9
85.10173	27.9
89.06020	100.0
91.05495	7.4
91.71053	8.9
95.08595	7.1
95.18962	5.3
107.07064	8.1
107.08601	12.5
130.08624	25.0
133.08586	36.0
177.11189	6.1
195.12321	15.2
214.07550	6.0
265.42032	6.4
272.37378	6.0
303.23199	11.7
321.26273	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	321.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10777	6.5
52.27476	5.6
55.05499	8.5
57.07068	100.0
61.73759	6.2
62.00246	6.5
67.05499	36.8
69.07048	17.4
71.04979	18.2
79.05492	16.6
79.87186	6.7
81.07043	48.8
83.08594	10.7
85.02852	11.0
85.06536	55.6
91.05502	10.1
93.07042	35.3
95.08609	45.1
97.10191	8.5
102.91507	7.3
105.07027	9.1
107.08590	16.2
109.10149	24.2
121.10142	29.2
123.11741	10.8
129.13010	7.1
133.10100	6.8
133.96875	7.8
135.11667	21.0
147.11700	10.9
176.65794	6.7
197.85962	8.1
303.26935	13.4
321.27881	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	321.2785
Annotation	11,17-Dimethyl-5alpha-androstane-11beta,17beta-diol
Peak:m/z	Relative Intensity
55.05506	64.3
57.07070	19.8
59.84405	9.0
67.05492	100.0
69.07055	67.3
71.08624	9.4
79.05473	42.4
81.07053	95.4
82.92659	10.3
83.08593	33.8
91.05463	45.1
93.07032	46.6
95.04955	29.0
95.08609	69.5
97.06527	31.5
97.10141	14.4
105.07031	37.5
107.04933	68.5
107.08586	32.6
109.06532	32.6
109.10146	33.5
116.81369	12.2
119.08568	25.5
121.10144	40.8
123.08038	33.8
131.08574	21.0
133.10152	28.8
135.08052	20.0
135.11717	19.9
137.09540	11.9
145.10106	20.4
149.09602	16.5
151.11137	11.2
167.18729	11.5
178.97278	11.4
189.04471	10.5
201.77153	11.8
213.54289	11.1
223.89992	10.5
236.20726	12.1
269.56665	12.0
285.25803	28.3
303.26868	30.6
321.27747	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2785
Annotation	Adipostatin B
Peak:m/z	Relative Intensity
51.59778	0.9
52.05643	1.0
55.05512	9.6
55.71709	1.0
57.07052	2.4
67.05495	10.2
69.07057	11.3
69.55753	1.2
71.04981	3.2
71.08591	2.7
76.49580	1.1
79.05477	2.1
81.07050	12.1
83.08609	7.8
85.02896	100.0
85.06489	1.3
86.98428	1.3
89.33075	1.1
91.05460	2.7
91.70961	2.3
93.07030	4.7
95.08600	9.7
97.06503	2.5
97.10159	2.4
105.07008	1.6
106.90623	1.3
107.08590	2.1
108.39094	1.4
109.10139	3.2
113.05988	4.0
113.30318	1.4
121.10130	1.8
123.08185	1.4
123.11735	1.9
153.33458	1.4
245.22641	1.5
321.27841	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	321.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	15.0
57.07073	4.2
59.04992	13.0
59.05281	3.8
67.05494	94.2
68.57729	3.7
69.07072	17.8
71.05004	3.6
75.78964	3.5
79.05487	29.5
81.07047	100.0
83.08630	16.0
85.02925	15.0
91.05475	24.4
91.68768	3.8
93.07034	45.7
95.08599	73.4
95.09150	5.7
97.10181	6.9
100.15286	3.7
105.07057	15.3
107.08593	30.7
109.10143	31.7
116.29257	3.8
119.08583	9.0
121.10127	21.7
123.11687	21.1
131.08595	6.7
133.10197	12.1
135.11749	18.4
137.13298	6.8
141.86708	4.1
145.10219	5.1
147.11760	9.7
149.13304	10.7
151.14764	5.5
159.11720	5.0
161.13339	9.4
163.14842	11.2
175.14857	9.6
177.16357	5.4
228.59325	4.5
245.22789	9.9
263.23737	6.9
267.99609	4.7
269.63623	4.8
303.26889	6.7
330.53677	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	321.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00262	2.4
55.05508	17.2
56.89962	2.9
57.07060	5.4
59.04995	6.4
67.05495	98.6
68.28277	2.8
69.07052	11.3
71.05006	3.0
79.05489	25.4
81.07045	100.0
83.08623	14.5
85.02902	17.3
91.05483	18.7
93.07027	43.3
95.04958	3.1
95.08601	78.3
97.10147	5.8
105.07005	9.8
106.88168	2.9
107.08592	26.9
109.06530	3.8
109.10151	36.1
119.08561	10.7
121.10133	26.3
123.11693	15.4
133.10141	11.2
135.11710	20.2
137.13292	7.5
147.11682	10.2
149.13257	12.6
159.11540	3.8
161.13199	7.5
163.14804	12.4
164.60385	3.4
175.14832	6.2
175.99889	3.2
245.22659	12.8
252.10059	3.5
263.23712	9.1
285.25772	5.8
303.26840	8.5
321.27921	6.1
327.03641	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	322.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	6.4
55.05512	7.5
56.05023	9.7
59.52088	5.6
60.00396	5.4
60.04501	6.3
60.05639	7.3
70.06577	30.3
72.08141	9.7
73.01134	6.5
74.00607	6.7
75.02695	24.5
76.02215	31.2
84.04489	93.3
84.08134	13.0
85.02898	11.1
86.09700	24.1
88.02229	6.8
88.03971	13.9
90.03773	78.7
90.05557	9.1
96.96244	6.2
112.03980	13.7
116.01769	10.3
116.20745	8.0
116.25954	6.7
120.08124	27.0
130.04997	62.6
155.03334	12.7
176.03746	100.0
179.05118	8.5
184.39153	6.8
190.01271	15.5
193.06453	25.6
195.52863	8.0
322.05582	82.3
322.18982	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	322.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	3.5
57.12039	1.4
57.65468	1.6
58.99576	19.5
60.05642	3.6
69.03410	1.5
70.06587	21.9
73.01139	1.9
76.02219	100.0
84.04498	47.2
84.21580	1.7
85.02891	2.6
86.99043	4.6
88.02220	2.1
89.14212	1.7
90.05548	35.2
97.48805	1.8
100.02213	2.2
112.08703	2.3
116.01668	27.2
127.03927	12.4
130.05000	13.1
136.07623	2.1
142.03185	11.1
144.01112	14.7
154.61565	2.1
155.03444	5.8
170.31677	1.9
175.11876	3.4
176.03754	26.0
179.03334	2.8
182.45680	1.9
193.06425	36.8
203.03404	2.6
215.04674	2.8
233.05940	13.4
264.38351	1.9
287.05640	2.3
305.16403	2.0
322.10379	4.3
322.18784	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	322.1283
Annotation	dehydrohistidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
55.66750	2.2
57.03419	3.1
59.71572	2.1
69.03419	14.5
73.02901	5.7
74.07883	2.7
81.03423	4.5
83.83106	3.1
85.02871	15.8
97.02885	6.9
115.05447	4.0
123.14141	2.8
127.03910	4.4
132.08118	11.4
139.03909	11.3
142.06514	22.8
143.07339	8.6
144.08084	19.3
155.03427	5.6
159.06815	3.4
160.07562	100.0
195.56474	3.0
195.88263	3.1
230.74678	3.1
322.12811	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	322.2012
Annotation	Croomine
Peak:m/z	Relative Intensity
55.05499	3.6
56.96551	2.2
64.49551	2.2
67.05483	6.6
68.05008	6.4
69.07041	2.2
70.06593	18.1
79.05486	5.4
81.07036	7.4
91.05497	3.7
93.07029	5.2
94.06524	3.5
95.08591	4.2
95.76120	2.2
100.07658	2.7
105.49532	2.8
105.54353	2.3
106.06525	4.6
114.05496	4.5
114.24678	2.4
117.07047	3.5
118.06497	3.1
120.08100	9.0
121.78633	3.1
133.11028	3.0
134.09671	14.6
148.07391	2.6
148.11211	10.2
163.84131	2.7
164.07079	7.9
173.69112	2.6
178.08591	7.9
180.10225	19.6
267.35172	3.4
276.19577	11.9
279.43161	2.6
299.09116	3.0
304.19116	22.2
322.20123	100.0
322.24014	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	4.0
57.07082	2.4
62.06081	100.0
64.14169	2.0
67.05505	15.9
69.07053	5.1
79.05481	8.0
81.07048	16.9
91.05449	3.0
93.07030	12.9
95.08586	12.8
105.07021	3.4
107.08599	8.4
109.10145	3.7
121.10155	5.5
131.08545	2.3
135.11699	4.2
154.20625	2.3
169.06152	2.8
200.33745	2.7
305.24799	3.2
322.27213	3.1
332.76025	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37893	1.4
50.95242	1.1
55.05505	2.2
56.96553	2.0
57.07061	3.0
60.04512	1.6
62.06084	100.0
63.69666	1.2
67.05499	18.0
69.07065	4.0
75.34846	1.4
79.05489	9.1
81.07043	16.3
91.05470	5.7
93.07037	13.7
95.04958	3.0
95.08597	14.1
98.97582	4.5
105.07013	3.5
107.08581	6.3
109.10162	3.8
116.98601	2.5
117.06958	1.4
119.08566	2.7
121.10168	6.0
131.08566	3.4
133.10159	1.6
134.99655	2.5
135.11694	5.8
140.00198	2.3
145.10207	2.2
149.13333	2.1
158.01259	2.2
159.11714	2.4
164.65146	1.4
180.16866	1.5
181.02795	3.2
183.49236	1.4
219.91267	1.5
243.21149	2.0
261.22095	2.1
282.01498	3.5
283.09619	1.6
294.39822	1.7
300.02582	3.2
322.27454	13.8
323.04053	3.7
333.94284	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	323.076
Annotation	Leucodelphinidin
Peak:m/z	Relative Intensity
51.30260	2.8
55.01873	3.0
56.35890	2.8
64.96225	2.8
65.03928	4.4
67.05482	5.7
68.82616	2.9
68.99777	8.3
69.03432	6.1
70.06572	10.6
72.08147	4.2
79.05485	8.4
81.03402	7.6
81.07079	4.9
83.04965	6.1
84.08127	5.5
85.02901	7.0
85.06557	6.0
86.09695	7.8
93.03387	5.6
95.04958	11.4
95.94713	2.8
97.02869	18.4
99.04415	8.2
104.53647	3.3
107.04941	9.3
110.04134	3.3
111.00804	4.8
111.04434	11.6
111.07362	3.2
121.02824	3.5
123.04465	16.9
127.03912	66.4
127.07547	7.2
135.04434	7.2
139.03889	100.0
145.06593	3.4
151.03900	30.2
155.03400	48.4
163.03952	15.3
175.03938	5.5
177.05505	4.1
179.03392	21.6
181.04930	19.9
187.31274	4.2
201.05524	3.4
203.03465	8.2
212.04747	4.7
240.04179	5.5
243.06494	8.7
261.07626	8.1
269.04401	20.3
283.50772	3.7
287.05548	26.6
305.06644	12.1
319.96548	3.9
323.07526	5.3
323.14539	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0763
Annotation	Leucodelphinidin
Peak:m/z	Relative Intensity
58.99578	2.6
60.05614	1.4
65.35391	1.2
68.99776	4.1
70.06565	5.1
71.01337	2.1
71.47170	1.3
74.06051	1.4
76.02209	10.3
76.02537	1.1
76.04012	1.5
76.49615	1.4
81.03402	4.8
84.04485	11.8
85.02906	9.8
85.04002	1.5
90.05538	5.2
95.04970	1.5
99.44926	1.4
109.02864	4.9
111.00796	2.7
116.01687	2.3
121.55526	1.5
123.04431	10.5
123.05453	2.7
127.03909	100.0
130.04979	4.6
132.76279	1.5
133.02852	4.0
139.03897	8.3
147.04401	5.0
151.03893	17.7
155.03387	56.5
169.04933	5.5
169.06339	1.6
175.03918	6.5
176.03796	1.8
179.03383	24.1
203.03424	7.4
213.05431	2.8
259.06412	1.8
280.59506	1.8
287.05417	15.0
303.07065	1.7
305.06519	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	323.0912
Annotation	11-Deoxylandomycinone
Peak:m/z	Relative Intensity
51.50883	1.4
55.01865	11.3
57.16287	1.3
65.83421	1.4
68.43931	1.5
98.97583	2.0
103.34737	1.5
107.04951	2.2
107.88272	1.7
115.05479	1.5
121.02873	12.8
121.92455	1.6
145.06499	2.1
178.07764	11.1
181.06598	2.4
189.06963	3.9
201.05551	2.0
202.07857	6.9
203.08600	5.9
205.06453	11.1
206.07269	15.4
218.07312	3.4
219.08086	5.6
221.09587	3.6
231.08011	3.2
234.06772	27.6
235.07581	2.1
245.06018	2.0
247.07588	1.9
248.08173	2.7
249.09158	6.2
253.08537	3.2
262.06256	7.9
262.61047	1.7
267.10495	2.5
277.08591	11.1
290.05750	12.0
294.73340	1.7
295.09836	3.8
305.08057	100.0
323.09128	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	323.0913
Annotation	11-Deoxylandomycinone
Peak:m/z	Relative Intensity
55.01851	13.9
56.96556	19.2
62.37561	8.2
63.39027	8.3
70.95507	8.6
91.71654	21.5
93.07138	10.4
95.04938	9.1
98.97580	34.7
103.05499	12.0
116.98606	15.6
122.72144	9.5
123.04426	10.0
135.04388	18.8
140.00262	28.3
149.77390	11.8
158.01292	20.7
158.64488	10.2
159.04367	11.5
163.03873	22.7
181.02824	15.8
189.07016	35.6
190.07704	26.8
191.08543	62.3
201.06972	12.1
202.07693	14.6
210.81836	10.0
217.06502	14.5
218.07291	15.8
219.07990	99.4
229.06522	15.8
235.07567	28.7
247.07530	95.8
258.73532	11.7
259.07629	28.7
263.10635	14.1
275.07004	37.6
277.08591	31.5
282.01306	19.6
287.07230	11.1
293.08035	35.4
300.02435	18.9
305.08081	100.0
313.01422	10.9
323.03940	24.2
323.09259	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	323.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91803	3.2
58.83195	3.8
61.86895	3.4
69.03440	4.9
71.59957	3.6
73.26762	4.7
77.76344	3.9
95.42160	4.4
97.02896	5.1
107.04928	6.3
123.04424	6.6
131.04951	6.9
137.02344	5.7
139.03868	45.7
151.03888	5.5
155.03369	8.4
163.03902	5.5
181.05002	6.0
323.10928	100.0
342.19083	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	323.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39585	1.9
60.42993	1.7
64.99571	1.7
117.88375	2.0
129.52216	2.1
144.40366	2.4
144.89592	2.3
190.20679	2.4
202.93217	2.3
323.10962	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1274
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
57.18391	3.1
59.98320	3.6
62.34940	3.2
74.91489	3.1
75.96282	3.1
86.68496	3.6
91.71644	4.6
99.53809	3.9
161.05894	5.1
192.41495	3.7
199.07565	6.2
201.09145	4.9
202.07802	14.8
203.08522	55.4
205.06302	5.4
215.08739	4.1
219.08011	11.2
220.08865	16.3
231.08011	67.2
232.08893	16.8
241.08636	4.6
247.07602	7.4
248.08267	40.8
259.07541	20.4
260.08325	12.2
263.10623	55.0
276.07767	21.7
277.08444	9.2
290.09558	6.9
291.10123	100.0
292.10620	10.8
293.08115	9.7
295.46481	4.2
305.11652	6.2
308.10303	5.7
323.12692	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1276
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
56.47179	2.5
67.24412	2.6
84.85208	2.7
91.70975	5.6
109.39611	2.8
118.23940	2.6
199.07542	5.5
201.09224	4.2
202.07774	20.9
203.08540	61.1
219.08086	12.0
220.08833	12.7
231.08015	64.5
232.08807	17.9
241.08542	4.3
247.07538	10.2
248.08308	38.3
249.09245	4.5
259.07538	20.4
260.08322	13.2
262.09897	3.3
263.10605	57.4
265.08621	3.7
276.07843	20.1
277.08658	12.3
291.10123	100.0
292.10907	12.2
293.08167	10.7
305.11566	4.4
308.10391	6.6
323.12756	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	323.1275
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.58011	7.4
56.96553	20.3
57.03434	8.4
61.84400	7.0
65.68477	8.5
69.03429	12.0
69.07069	8.9
81.07059	11.2
85.02880	10.1
91.05465	16.2
94.04144	10.9
97.69837	8.4
98.97572	13.1
105.07003	12.1
108.04970	9.7
116.39594	9.3
122.03596	10.3
137.05980	100.0
158.98672	9.5
161.05957	75.1
171.62323	8.9
179.38420	9.1
193.21266	9.4
199.07559	50.8
200.21156	10.1
202.07822	17.3
203.08563	33.8
231.08055	49.0
232.08820	10.1
247.07462	12.5
248.08467	16.7
259.07501	22.4
260.08197	17.1
263.10635	26.3
291.10010	64.3
323.09448	10.6
323.12625	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	323.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50232	2.1
56.10071	2.5
56.85550	2.3
65.05526	2.3
69.28563	2.3
69.40396	2.7
74.84332	2.8
95.00092	3.3
121.23562	3.1
140.80345	2.9
146.69588	2.7
161.06140	3.1
189.06943	3.8
191.08548	3.9
199.07422	3.1
202.07756	16.4
203.08522	39.1
213.97614	3.1
215.08669	4.4
219.08113	11.7
220.08913	13.5
231.08023	51.2
231.10181	4.1
232.08789	14.7
233.06041	3.9
247.07687	6.9
248.08310	40.5
249.09157	6.5
259.07629	11.5
260.08450	9.6
261.09045	3.9
262.10168	3.6
263.10623	41.4
276.07779	20.5
277.08792	7.8
290.09433	3.7
291.10141	100.0
292.10791	6.3
293.08090	7.4
308.10516	7.2
323.12704	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1277
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.48864	2.7
62.92599	2.5
63.64649	2.5
70.41573	2.6
71.20261	2.5
79.05450	3.1
81.07056	4.7
82.03896	3.0
91.05463	7.7
93.07006	3.3
98.97560	6.1
105.07051	19.0
106.69439	3.6
107.08654	3.2
109.06482	3.2
115.05494	3.9
117.75773	3.0
119.08543	4.0
122.03608	3.8
133.06477	7.6
133.10110	5.0
137.05986	25.9
140.00189	6.6
146.03648	4.4
159.41925	3.3
161.05969	71.2
184.05171	3.2
199.07599	7.7
202.07788	20.8
203.08551	36.9
213.16498	3.8
219.08121	12.8
220.08835	10.2
221.14282	3.5
231.08063	48.3
231.17458	4.3
232.08943	6.2
245.09711	3.6
247.07574	10.3
248.08333	25.2
258.06940	4.1
259.07462	37.5
260.08276	26.8
263.10669	18.9
270.48096	2.9
275.06976	4.6
275.23157	4.0
276.07849	17.8
291.10126	100.0
292.10751	6.7
300.02457	4.0
323.12720	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1277
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
51.13339	2.9
53.59948	3.5
54.24628	3.0
57.01315	3.1
61.29461	3.3
63.66013	3.4
66.59450	3.9
70.21153	3.5
71.04996	4.6
81.07063	3.7
90.41470	3.6
92.93350	3.6
98.97608	4.2
107.59682	4.0
110.92809	3.3
114.08344	3.6
118.68287	3.8
122.06016	4.1
171.84842	4.5
199.24751	4.9
202.07774	6.1
203.08400	18.5
219.08043	7.1
220.08841	8.6
231.07968	19.8
237.09201	4.4
241.08618	6.7
248.08340	29.1
249.09192	4.0
259.07596	12.5
260.08102	6.8
262.09839	5.5
263.10635	20.3
265.08487	6.4
269.08011	11.4
276.07928	24.4
277.08606	13.9
280.11133	5.6
291.10162	52.2
292.10806	11.4
293.08148	8.6
294.08740	6.6
299.63205	4.3
305.11911	8.7
307.09756	6.7
308.10327	6.4
323.12662	100.0
323.18369	5.9
340.45599	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	323.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75443	2.2
57.03406	3.1
67.05489	3.4
69.07065	2.7
70.06573	11.9
71.04977	3.2
72.08137	10.8
73.30237	2.2
79.05493	4.5
81.07036	5.8
84.04484	7.2
84.08113	5.4
85.06516	3.9
86.06003	3.6
86.09686	6.8
95.08573	2.9
95.50387	2.5
121.10139	3.1
146.09648	2.9
163.99686	2.8
203.08429	3.6
253.42815	2.9
265.10428	22.0
295.73019	2.9
302.59256	3.5
305.13364	4.1
323.11209	5.2
323.14587	100.0
335.72693	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	323.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18162	1.5
53.72018	1.4
62.57016	1.7
70.96715	1.8
75.92797	2.0
76.62282	1.5
79.05482	3.5
81.05789	4.1
81.07044	3.5
91.05465	3.6
91.71600	2.4
93.07017	3.3
96.08123	11.9
107.04921	2.6
124.07573	29.9
130.06522	5.5
136.07568	70.6
138.09154	2.3
141.31743	2.0
164.07051	100.0
182.08116	70.3
323.14700	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	323.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	20.4
57.03431	7.9
67.05495	51.2
69.02682	4.3
69.07059	15.2
71.04969	7.0
79.05484	77.5
80.98336	5.2
81.07050	48.7
83.04945	5.3
83.08614	10.6
85.06514	9.0
91.05472	99.3
91.71623	8.9
93.07037	94.6
95.04964	14.1
95.08612	38.7
96.22752	4.4
105.07030	87.1
107.08589	54.0
109.06476	6.6
109.10147	11.3
111.08069	5.1
117.07001	11.9
119.08575	70.4
121.10146	44.8
129.05508	7.7
129.07002	13.2
131.08568	23.8
133.10115	100.0
135.08035	8.1
135.11661	31.5
143.08568	20.2
145.10091	24.9
147.08031	6.0
147.11673	79.8
148.72548	4.5
149.09590	8.4
149.13263	9.4
157.10117	23.0
159.11690	10.9
161.09650	6.3
161.13220	8.4
171.11644	25.6
173.13193	6.7
175.11124	6.1
185.13213	5.4
187.14861	10.1
189.12711	6.5
189.16383	30.1
203.14203	6.3
203.17921	29.7
213.16302	63.1
231.17395	78.2
236.60725	5.4
249.18628	9.3
305.21115	11.2
323.21997	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	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17054	7.3
53.82275	6.2
53.94419	6.4
55.05491	18.5
57.03411	8.6
58.06916	7.3
67.05486	40.5
69.07050	20.6
76.99857	8.0
79.05492	60.2
81.07040	47.6
85.44633	8.4
91.05478	95.2
93.07040	60.9
95.04962	10.0
95.08588	30.3
98.97571	14.3
105.07018	100.0
107.08577	48.0
109.10112	10.7
115.26094	7.9
116.98669	8.2
117.07020	14.9
119.08579	61.5
121.10130	36.2
129.07033	15.9
131.08543	31.3
133.10129	94.5
135.11700	28.2
140.00217	10.8
143.08568	12.9
145.10092	30.1
147.11665	71.2
150.94946	8.6
157.10025	18.3
159.11673	14.4
171.11688	31.6
189.16422	19.9
203.18037	22.6
213.16364	52.5
225.53642	9.8
231.17451	75.9
288.67715	9.9
300.02631	9.8
316.20538	9.3
323.22263	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	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	19.4
56.96556	14.1
57.07063	9.2
66.65445	7.3
67.05495	53.2
68.43303	6.1
69.07051	14.2
69.65949	7.0
71.04995	9.7
74.39555	6.6
79.05470	52.4
81.07044	44.1
83.08630	7.8
83.89554	7.2
91.05470	92.8
93.07041	54.1
95.04962	16.6
95.08601	24.4
98.97567	41.5
105.07030	100.0
107.08620	40.7
109.06548	10.8
111.08085	8.0
116.98618	32.2
117.07001	17.8
119.08572	63.1
121.10134	28.6
126.10686	7.3
129.07022	23.6
131.08577	27.6
133.10130	98.7
133.52347	9.3
134.99675	20.0
135.11700	36.4
140.00200	34.6
143.08578	10.2
145.10127	23.9
147.11682	71.9
157.10095	19.6
158.01282	25.3
158.44032	8.0
159.11728	18.0
171.11684	30.4
173.13226	8.2
181.02856	32.8
181.35770	7.3
185.13307	11.4
189.16414	22.6
197.76811	9.0
203.17987	24.8
213.16397	55.7
231.17462	63.3
282.01440	20.5
300.02426	34.9
323.04025	32.2
323.22043	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	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43854	4.1
50.73277	4.8
53.00295	4.2
55.05502	17.5
57.03426	10.0
57.07063	7.5
66.05276	4.9
67.05495	41.2
69.07043	15.3
71.04986	7.6
72.97837	4.6
78.60098	6.2
79.05483	51.8
81.07040	53.1
81.73943	5.2
83.08614	10.5
85.06511	6.8
91.05473	80.3
93.07032	84.1
95.04974	11.6
95.08604	39.0
98.97566	6.0
105.07023	80.8
107.08598	49.5
109.10146	13.4
117.06991	14.2
119.08578	68.8
121.10114	38.7
123.11728	6.0
128.06253	7.2
129.07008	16.7
131.08583	27.3
133.10109	100.0
134.99590	5.5
135.08250	5.6
135.11678	24.2
143.08574	17.1
145.10120	30.7
147.11679	73.9
149.09654	6.1
149.13283	9.3
157.10179	21.5
159.11685	8.3
161.13261	8.4
164.27785	5.6
171.11662	25.5
175.11211	8.1
187.14807	11.9
189.16307	37.5
203.17995	16.0
213.16356	55.3
231.17409	62.3
239.85501	7.8
249.18549	11.1
300.02213	6.2
305.21152	7.3
323.12836	6.5
323.18582	9.1
323.22064	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	17.7
56.96547	41.6
58.15303	13.8
64.04185	12.5
67.05492	34.8
79.05470	30.1
81.07072	16.7
85.10156	16.2
91.05466	41.9
93.07048	48.9
95.04975	16.9
98.97597	86.4
105.07026	69.3
107.08587	34.4
109.10120	15.1
116.98615	73.3
119.08584	25.4
121.10132	17.4
128.37897	14.1
132.13315	15.5
133.10136	55.5
134.58340	14.6
134.99675	40.4
135.11687	29.3
140.00177	68.5
145.10152	20.4
147.11716	22.6
149.64719	15.3
157.10107	31.3
157.31689	17.4
158.01248	72.4
171.11647	17.0
181.02840	58.0
189.16463	22.9
199.04060	16.3
203.33029	15.5
213.16420	35.3
231.17546	51.8
256.73492	18.2
257.00931	16.0
277.00842	21.4
282.01468	42.7
300.02383	86.4
323.04059	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07046	31.4
59.41743	25.7
67.05492	88.5
69.07061	72.8
74.74680	28.8
81.07041	100.0
85.10113	38.5
88.98107	33.7
91.05463	56.9
95.04972	86.5
97.06498	36.0
97.48556	32.0
107.08538	44.2
109.06535	68.7
121.36459	33.8
133.10117	40.5
207.80696	40.6
210.09604	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10205	3.6
53.00289	3.7
54.20761	3.5
55.05503	40.4
57.07063	35.9
59.04991	7.2
64.89166	4.6
67.05166	7.9
67.05492	79.0
67.60194	4.1
69.07060	52.7
70.62753	3.8
71.08612	23.0
71.67606	3.6
79.05497	25.5
81.07051	100.0
81.75066	4.3
83.08614	48.8
85.02903	41.7
85.06535	6.0
85.10194	8.2
91.05453	10.7
93.07035	43.5
95.04929	8.7
95.08602	95.5
97.06506	8.0
97.10144	29.9
98.81628	4.4
98.97563	8.7
107.08591	28.0
109.10152	40.4
110.20883	4.7
111.08096	4.7
111.11720	8.6
111.51636	4.5
119.08540	5.4
121.10123	37.7
123.11660	11.7
135.11682	42.3
137.13235	8.1
140.00114	6.8
147.11772	6.4
149.13277	16.8
151.14822	6.9
165.16370	5.0
247.24146	43.8
249.90645	5.3
265.25305	11.8
281.14102	5.0
282.01349	6.3
287.27249	7.6
300.02338	7.5
305.28378	8.1
323.03845	7.7
323.29565	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	324.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05681	4.3
56.96540	4.8
57.03434	6.8
61.02908	4.3
67.05493	5.5
69.03408	13.9
69.07061	5.8
71.42347	4.7
73.52016	3.9
79.48096	4.0
81.07050	52.6
85.02900	39.1
85.06532	90.4
97.02882	25.1
97.06547	6.8
103.15047	5.3
109.02896	4.6
109.06499	22.5
115.07539	11.3
122.53955	4.4
123.34919	4.3
127.03902	7.5
127.07542	100.0
145.08598	42.3
186.11403	5.3
275.48694	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	324.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54311	1.0
55.03772	1.0
56.68798	1.2
61.02911	1.1
67.05494	2.5
69.03405	1.4
79.05485	1.2
81.06596	2.2
81.07043	23.8
82.98449	1.0
85.02908	10.2
85.06533	100.0
85.33204	1.1
89.69003	1.1
97.02883	2.5
99.08060	1.1
109.06511	22.6
112.01089	1.1
127.07544	53.3
130.98972	1.2
140.54425	1.3
145.08621	11.8
147.82866	1.3
149.22800	1.2
168.10149	1.3
187.96608	1.3
222.92406	1.2
223.62050	1.3
230.25403	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1958
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
53.07628	1.3
53.96194	1.3
54.77134	1.4
55.05486	2.2
56.73669	1.6
56.96552	2.2
65.46939	1.5
67.05492	4.3
72.52869	1.5
73.69939	1.7
76.28291	1.6
79.05151	1.7
79.05490	17.1
81.07038	2.7
81.34863	2.0
91.05470	4.0
93.07024	4.9
95.04951	3.8
95.08591	2.5
98.97544	1.9
103.05466	58.1
105.07014	5.4
107.04954	28.8
118.06564	9.4
121.06487	3.3
121.64152	1.8
131.04941	17.1
132.08064	3.8
146.09599	3.1
176.14346	57.6
191.56665	1.8
324.19534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29067	1.4
53.10772	1.6
74.57185	1.9
79.05483	15.6
95.04954	5.0
103.05451	10.1
105.07022	97.1
107.08610	4.3
116.98592	2.3
118.71871	1.7
118.89481	2.0
133.06479	56.3
135.08046	100.0
151.07539	22.5
203.04977	2.1
219.51088	2.1
265.22513	1.9
279.17740	37.3
291.76941	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	324.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44225	0.5
60.49894	0.5
60.72679	0.6
65.40916	0.7
67.05495	1.2
69.47139	0.5
72.06966	0.6
79.05474	2.5
84.82530	0.6
86.76205	0.6
91.05460	2.6
91.71066	0.7
95.08576	0.7
105.06998	3.1
107.08556	3.8
127.07587	0.6
133.06534	0.8
134.07272	1.6
135.08051	100.0
172.79378	0.7
324.23569	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	325.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37238	0.8
65.03909	1.2
67.05504	2.7
71.46685	0.8
79.05525	0.8
84.52870	0.7
87.23723	0.7
88.59545	0.8
90.36816	0.8
94.06566	9.7
103.61832	1.0
106.06593	3.0
118.54808	0.8
122.06026	8.3
126.50409	0.9
134.06068	3.6
136.07626	1.1
144.34685	1.0
148.03943	2.3
149.07138	3.1
150.05496	100.0
151.08624	4.1
152.07193	2.4
161.07126	1.3
168.06596	2.6
179.08235	1.4
184.28925	0.9
189.06654	1.1
217.06215	1.5
241.22716	1.0
246.88000	0.8
251.06857	0.9
325.10291	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	3.0
66.87498	2.3
85.02927	3.1
89.31805	3.1
91.05478	2.7
91.71592	3.8
135.04420	21.3
137.06021	4.8
145.06488	6.6
147.04420	5.6
151.03899	30.5
151.04965	5.2
161.06017	5.3
165.07025	3.9
166.66339	3.1
194.07324	7.5
201.05405	6.6
221.06062	7.8
222.06807	4.3
237.09142	8.8
239.07016	3.8
241.60529	3.5
249.05455	16.8
250.06329	3.7
251.07132	3.5
257.95178	4.1
264.07782	10.6
265.08554	9.9
269.11578	6.5
277.04999	17.8
292.07303	45.4
293.08157	8.8
307.09625	100.0
325.10657	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1067
Annotation	Ambonane
Peak:m/z	Relative Intensity
56.58033	0.8
57.07075	0.7
67.05513	0.9
67.32854	0.7
77.03933	0.9
79.05480	3.1
89.84145	0.8
91.05466	1.3
92.80113	0.9
95.04964	3.3
100.16125	0.9
107.04953	11.0
117.07014	1.1
121.02859	11.3
128.91743	0.9
130.47778	1.1
131.04820	0.9
135.04407	100.0
137.05905	1.1
145.06493	3.7
173.05969	2.2
175.07607	1.6
182.11818	0.9
183.57161	0.9
192.50166	0.9
215.45145	1.2
224.29399	1.1
268.67438	1.0
295.09631	6.6
325.07147	1.5
325.10696	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	325.1068
Annotation	Desmethoxyviridiol
Peak:m/z	Relative Intensity
53.03916	3.5
55.01656	4.3
55.01866	46.8
56.19804	4.6
62.06063	5.4
65.03922	5.0
79.05475	9.7
80.80677	4.2
81.09224	4.4
91.05458	11.3
95.04980	8.3
95.08618	5.1
102.04685	7.6
103.05457	18.7
107.04945	7.0
111.04420	6.7
115.05396	6.7
117.07026	7.7
119.04958	11.0
128.06248	6.5
130.04156	25.7
131.04930	11.4
135.04408	100.0
145.06505	16.3
147.04417	21.7
148.05209	9.8
151.03938	7.8
155.04897	5.5
157.06447	8.3
159.04404	39.2
160.05186	68.6
161.05974	9.5
163.03862	41.3
173.05943	12.1
178.07765	11.5
179.08627	5.7
185.06001	10.9
191.08549	13.3
194.07330	7.9
202.07787	32.8
203.08521	36.0
205.06308	5.6
206.07269	7.6
219.08032	31.7
231.08026	43.3
234.06758	7.8
235.07675	9.3
247.07491	18.6
249.09106	21.2
253.05017	5.4
258.36301	5.2
259.07553	30.9
277.08545	41.1
282.10504	5.5
285.10907	10.6
289.08609	20.9
295.09644	59.4
307.09628	60.8
325.10779	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01864	2.4
57.03416	2.6
69.03040	1.4
69.03416	25.6
71.01344	1.5
71.04971	8.6
73.02912	1.3
81.03405	21.6
82.87581	1.0
91.05466	2.5
91.71641	2.2
99.04428	7.7
103.05454	2.1
108.89958	1.1
117.05481	2.1
118.06533	8.0
129.73938	1.1
131.04970	1.2
133.24277	1.1
137.05980	9.6
145.07582	8.8
147.09186	8.4
151.07535	4.1
162.07877	1.3
163.07463	2.1
173.07097	13.6
175.08682	7.2
191.08128	100.0
208.10728	1.2
232.08864	1.2
233.09232	2.5
289.11990	1.5
307.12827	25.8
325.13950	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	325.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54770	2.8
69.03394	3.6
73.58470	3.3
91.05461	5.1
103.05453	30.6
107.04908	3.8
108.05748	6.1
131.04910	41.7
137.05986	36.0
138.84494	3.8
140.44270	3.3
151.07530	100.0
151.08739	4.9
160.05232	7.8
163.07533	63.7
175.07556	14.0
179.69586	4.4
187.07588	7.1
189.17751	3.5
201.08957	4.5
205.10078	3.9
233.09705	5.5
267.11923	3.8
293.11792	9.1
325.16187	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2006
Annotation	Albocycline M-7
Peak:m/z	Relative Intensity
50.25695	1.9
53.03936	2.7
55.01864	2.8
55.05500	15.0
60.35953	2.1
65.03925	2.7
67.05492	25.8
69.07052	14.4
79.05486	14.1
81.03398	12.6
81.07050	23.8
83.04980	4.5
83.08607	29.6
85.02888	4.2
88.38544	2.4
91.05461	33.0
93.07025	26.5
95.04958	63.7
95.08578	16.4
96.15318	2.6
97.06519	4.3
105.07021	15.6
107.04947	23.0
107.08571	9.9
109.06528	7.1
111.04417	3.2
111.08094	6.7
117.07028	11.8
119.08565	8.4
121.02881	18.0
121.06506	6.2
121.10159	7.9
123.08064	3.0
126.43835	3.1
127.07549	3.4
129.07106	4.9
131.08543	17.9
133.06480	5.1
133.10164	8.1
135.08057	5.9
137.05981	11.3
139.07541	4.4
145.06479	4.3
145.10135	9.7
147.08028	5.8
147.11592	3.6
149.09589	18.0
151.03886	7.5
151.11104	6.6
157.10095	4.2
159.08038	7.9
163.11124	5.1
169.10219	2.5
173.09618	9.0
175.09656	4.2
177.09102	11.3
184.90486	2.8
191.10667	30.2
209.11713	14.1
225.08725	2.5
225.16396	4.1
243.17462	5.2
258.14185	3.0
261.18521	4.2
271.16867	10.0
289.17941	100.0
297.11221	9.9
307.19009	17.5
325.06927	3.1
325.10742	4.9
325.19937	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	325.2009
Annotation	Hynapene A
Peak:m/z	Relative Intensity
51.53608	4.7
55.01867	8.4
55.05496	13.3
57.03425	8.7
67.05499	46.7
69.07076	26.2
71.05015	6.1
78.79871	4.8
79.05485	17.1
81.03418	7.3
81.07053	40.6
83.04969	8.8
83.08617	6.8
91.05469	27.3
93.07044	21.8
95.04987	6.8
95.08595	20.3
97.06522	100.0
98.97648	5.5
105.07026	19.2
107.04974	7.0
107.08595	24.3
109.06557	10.3
109.10176	30.6
121.10172	12.4
123.07975	5.8
131.08540	7.7
133.10112	33.7
135.07997	7.6
151.11119	9.0
227.41774	5.4
231.28516	5.5
275.98682	6.4
289.17935	12.0
307.19135	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	325.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69555	3.6
56.05040	3.8
56.96555	5.5
57.03415	4.6
62.89293	3.8
67.05490	5.3
70.06586	10.5
71.35149	3.8
74.06078	5.4
75.64955	4.3
81.07053	7.5
84.04497	20.7
84.08124	10.4
85.02892	31.4
86.09692	9.9
87.27203	4.9
91.05460	8.2
93.07025	11.2
95.04934	5.4
102.05540	8.7
108.08110	46.5
110.09673	6.1
120.08080	12.5
121.10133	4.5
130.04994	72.2
135.11720	4.9
150.12788	10.4
152.14331	100.0
154.15886	6.0
163.03885	9.7
196.16957	16.8
221.12767	5.7
228.56425	4.6
240.89676	5.7
261.75717	4.9
264.15958	15.6
281.18613	86.0
325.16110	13.3
325.21213	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	325.212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.0
59.52186	2.1
67.05502	5.1
68.21886	2.2
69.07079	3.6
70.06593	5.7
79.05456	3.8
80.34626	2.8
81.07063	3.8
84.04496	15.7
84.08153	5.3
85.02893	24.4
86.06061	7.1
86.09706	6.9
91.05505	6.9
93.07070	4.7
94.37448	2.3
95.05005	2.9
95.08622	4.6
102.05561	10.8
107.08609	3.4
108.08107	60.8
108.08767	3.7
109.10201	3.2
110.09694	4.3
120.08150	5.8
122.09687	4.4
124.11309	3.1
127.03219	3.0
130.04015	4.2
130.04993	86.5
132.94093	3.4
135.11807	3.7
140.03352	2.6
150.12808	12.0
151.13640	3.9
152.14339	100.0
154.15959	6.1
157.45750	2.9
161.10835	4.7
173.72806	2.8
194.67317	2.7
196.16956	26.7
212.71503	2.8
264.16055	12.5
281.18597	65.4
281.21570	4.5
282.16409	5.8
308.18564	4.7
325.16956	5.6
325.21158	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	325.2371
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
55.05509	14.9
57.03448	7.3
57.07083	8.6
60.36490	5.7
67.05498	100.0
67.05825	7.4
69.07060	5.3
70.49491	5.4
71.05031	10.4
73.02908	7.3
74.39984	7.6
79.05483	62.3
81.07047	97.3
83.08659	6.5
85.02915	12.2
85.06558	7.3
91.05494	38.9
91.71593	8.8
93.07042	70.3
95.04965	9.7
95.08604	57.9
99.08120	8.5
105.07059	26.4
107.08595	39.7
108.77217	6.2
109.10150	33.0
112.63164	6.7
117.07042	14.8
118.96830	6.3
119.08627	23.5
119.98486	6.9
121.10139	63.4
123.11723	22.5
129.59816	7.8
131.08615	20.2
133.10191	20.4
135.11707	50.6
145.10172	15.8
147.11742	11.5
149.13277	24.8
156.36125	6.8
159.11766	24.9
173.13281	12.8
205.19557	10.8
215.17883	55.0
233.18950	68.2
304.33151	7.6
325.23944	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	15.1
57.07059	7.9
67.05496	100.0
69.07054	15.9
76.73676	4.9
79.05486	53.9
81.07043	95.6
81.51233	5.6
83.08607	7.0
86.94032	5.1
91.05464	25.7
91.71078	7.6
91.93720	5.2
93.07037	83.0
95.04984	7.4
95.08025	8.4
95.08598	64.3
99.08077	6.5
105.07034	27.3
107.08594	44.9
109.10143	39.3
113.09660	6.4
117.07049	13.0
119.08588	16.7
121.10153	62.7
123.11683	28.3
131.08525	32.2
133.10138	20.1
135.11694	52.3
142.47498	5.7
145.10139	20.6
147.11668	18.1
149.09679	7.0
149.13280	25.0
159.11723	30.6
161.13167	6.7
171.70210	6.4
173.13309	16.8
176.43126	7.2
187.14618	6.2
194.66559	5.9
215.17963	49.9
233.18990	68.1
251.20030	6.1
325.23898	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	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53421	6.4
55.05501	11.0
57.93096	6.5
58.23042	6.2
59.48707	6.5
67.05500	100.0
69.07039	12.3
69.87740	5.9
70.46493	6.8
75.76018	7.1
79.05483	43.1
81.07048	78.0
83.08608	9.3
87.75278	11.0
91.05473	24.5
93.07044	57.9
95.08585	54.4
97.06570	7.7
102.34129	6.9
105.07038	17.6
107.08585	46.2
109.10152	43.0
117.07034	12.3
118.62382	9.1
119.08562	10.3
121.10117	36.9
123.11694	21.7
128.57257	8.0
131.08572	14.0
133.10109	22.5
135.11688	40.2
145.10107	13.6
147.11665	18.3
149.13284	17.6
156.52460	8.1
159.11671	11.7
178.85217	8.4
181.22374	8.9
215.17966	31.0
233.19005	38.0
256.10983	8.7
296.26120	8.0
325.23557	13.7
337.37646	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	325.237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	9.5
57.81988	5.7
57.88717	5.8
60.36510	6.6
64.78687	5.6
67.05490	100.0
69.07047	17.4
71.04964	9.7
73.70203	7.6
79.05485	51.7
81.07047	96.4
83.08611	15.0
85.06553	8.8
91.05471	28.4
93.07041	68.6
95.08585	68.2
97.06493	8.2
99.08070	9.3
105.07024	19.7
107.08587	50.5
109.10146	25.2
117.06992	9.0
119.08547	18.8
121.10152	54.4
123.11715	19.6
133.10132	19.9
135.11664	43.7
147.11745	11.9
149.13229	21.5
154.44469	8.9
159.11676	14.7
159.23102	8.0
215.17999	33.7
222.11194	8.0
233.19034	55.1
266.72177	8.3
267.06638	7.9
325.23636	29.2
326.64484	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	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	16.1
56.96566	6.0
57.03434	12.9
67.05497	100.0
69.07069	19.0
72.85297	5.3
79.05484	43.1
81.07049	94.6
81.07481	8.4
83.08643	16.9
91.05478	33.6
91.71023	10.9
93.07043	54.7
94.04210	7.1
95.08597	72.9
97.06534	11.5
97.10151	9.0
105.07055	12.7
107.08644	26.5
109.10200	23.9
111.08070	7.3
111.52249	6.3
119.08607	9.2
121.10145	32.8
122.03684	9.3
131.08601	13.8
133.10199	20.4
135.11681	32.5
137.05963	90.7
145.10245	6.3
149.13321	6.6
151.11205	8.4
215.18045	21.8
226.11148	8.3
233.19086	18.9
251.20084	6.3
267.13791	7.5
280.72665	6.5
325.23883	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	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60727	3.7
55.05502	10.7
57.01683	3.6
57.03416	7.2
57.07058	8.4
67.05501	91.1
68.22583	4.8
69.07053	12.4
71.05004	5.8
79.05485	49.5
79.36112	4.0
81.06583	9.6
81.07048	100.0
83.08588	7.3
85.43099	5.0
89.66551	5.0
91.05464	27.9
93.07043	61.9
95.08602	55.4
99.08073	9.9
105.07024	22.9
107.08597	33.6
109.10146	30.3
111.80219	5.1
115.05466	4.7
116.48466	5.4
117.07022	12.0
119.08588	16.0
121.10165	39.1
123.11724	20.7
131.08562	22.6
133.10133	21.0
135.11705	45.1
145.10126	20.7
147.11697	14.1
149.13242	22.1
159.11690	9.4
159.22601	5.3
173.13332	18.2
205.11325	5.2
205.19572	6.1
215.17990	39.9
233.19016	37.9
247.81342	5.6
251.20100	5.7
325.23773	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	325.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	12.0
55.05500	26.8
57.98035	10.6
67.05492	100.0
69.07047	46.6
71.04980	14.1
79.05471	59.9
81.07047	84.4
83.08613	21.6
85.06564	13.7
88.35862	12.4
91.05475	73.9
93.07051	79.7
95.04988	15.9
95.08583	59.5
97.06507	18.0
97.10152	17.8
101.06978	12.1
105.07021	53.1
107.08584	40.7
109.10135	18.7
119.08566	29.9
121.10138	32.7
125.09635	15.2
131.08511	19.2
133.10123	31.1
145.10153	22.2
147.11658	34.9
149.09589	32.0
151.11052	17.8
159.11690	22.3
167.10677	15.6
173.13240	16.5
257.19098	24.4
275.20099	76.7
293.21262	23.7
307.93228	15.8
324.29498	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	325.2372
Annotation	TOFA
Peak:m/z	Relative Intensity
50.11496	4.4
55.01873	9.3
55.05507	38.2
57.03426	11.6
57.07058	10.9
60.75925	5.2
67.05224	5.7
67.05502	63.7
68.16009	5.5
69.03403	6.5
69.07064	46.1
71.04982	5.7
71.08620	27.2
74.02748	5.5
75.56305	5.2
79.05490	21.6
79.67582	6.0
81.07051	82.1
83.04974	8.7
83.08605	19.4
91.05473	9.3
93.07030	39.7
95.04967	12.1
95.08602	56.3
96.54716	5.8
97.06523	9.2
99.08079	13.4
105.07030	11.7
107.08614	23.4
108.68294	5.9
109.06522	26.5
109.10166	25.9
118.91023	5.5
119.08501	6.6
119.43735	6.9
121.06474	14.0
121.10178	14.0
123.08094	7.0
123.11670	11.0
131.08627	6.7
135.11705	9.7
139.11200	8.5
149.13197	6.7
163.11130	6.9
165.12744	51.8
181.15852	6.2
234.79539	6.0
261.22070	21.9
279.23230	11.3
289.21710	46.0
307.22626	100.0
325.23691	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	325.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	18.8
67.05494	54.9
69.07045	29.8
76.57298	19.9
79.05479	59.0
81.07040	68.7
83.97002	20.9
85.02876	21.8
87.81032	22.2
91.05487	34.0
93.07032	57.9
95.08578	33.1
97.90691	23.7
105.07028	31.3
107.04943	100.0
107.08578	40.4
109.10119	22.9
114.18454	20.5
117.82584	20.6
119.08553	45.4
121.10107	37.9
131.08583	35.6
133.10168	57.5
135.04388	68.4
138.50407	20.2
145.10228	21.2
147.11668	42.8
149.13348	26.6
149.93082	23.6
201.79675	23.5
217.21283	26.5
218.20517	23.9
237.16328	28.4
249.17319	31.0
249.62935	22.3
255.17442	36.0
265.02023	24.5
272.20132	44.1
273.18536	69.9
290.21063	50.0
305.80267	32.2
325.10657	39.4
325.24649	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	325.2736
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
55.01860	44.2
55.05496	33.7
57.07070	26.7
60.95563	19.0
67.05491	98.9
67.14954	23.4
69.07066	99.9
75.38026	17.0
79.05490	37.4
79.25510	21.0
81.07052	73.4
83.04999	20.9
83.08598	45.3
88.63978	19.0
93.07043	32.6
95.08589	100.0
97.06516	24.0
97.10123	21.1
107.08603	24.9
109.10136	35.0
112.63093	18.3
118.54582	17.8
121.10110	33.5
123.11669	21.3
176.18056	18.6
307.26453	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56472	2.1
53.00301	2.7
55.05503	31.0
57.07055	9.0
59.46677	2.5
67.05493	87.9
69.07061	40.7
71.04972	7.0
71.08607	6.9
73.98876	2.2
78.64348	2.5
79.05492	16.4
80.13609	2.8
81.07044	90.9
82.22971	2.5
83.08614	29.4
85.06542	14.3
91.05479	3.6
93.07024	24.0
95.08597	100.0
97.10166	19.5
101.67113	2.3
107.08588	15.0
109.10149	45.4
111.11718	5.2
121.10121	31.6
123.11641	15.1
135.11687	28.2
137.13269	4.8
143.31046	2.5
149.13263	12.2
151.14796	6.2
163.14824	6.2
165.16452	5.2
168.87860	2.6
247.24228	10.6
247.36974	2.9
265.25165	14.1
289.28915	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1458
Annotation	4-O-|A-D-Glucopyranosylmoranoline
Peak:m/z	Relative Intensity
56.63526	0.7
63.66964	0.8
69.03427	2.4
70.47073	0.8
81.62685	0.7
85.02914	2.7
86.47487	0.8
97.32772	0.9
98.98446	9.1
142.64441	0.8
164.09303	100.0
326.14569	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95488	2.0
60.08159	15.8
67.04222	2.8
67.05494	2.8
68.05006	4.7
69.07053	2.5
70.06577	11.7
71.04980	3.1
79.05478	2.5
86.09721	3.3
94.06549	3.5
95.06066	12.4
97.06532	3.6
98.87078	2.7
98.98472	15.4
99.02673	8.2
105.32172	2.3
108.08112	100.0
109.08913	9.3
122.09654	37.9
126.02476	6.8
127.03265	31.7
136.11215	21.2
151.13536	23.0
153.04774	7.8
161.10704	15.1
162.11523	4.1
176.67560	2.5
195.09560	3.2
223.08949	27.0
252.91168	2.5
280.03857	2.6
281.95160	2.5
282.16342	42.4
310.75189	2.8
326.15933	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	326.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08160	23.4
67.04219	4.1
68.05006	9.1
69.05784	7.3
69.07070	3.7
70.06577	9.0
80.04984	4.1
95.06077	34.9
97.06540	8.5
98.98460	16.4
99.02683	9.9
100.02213	5.4
108.08114	100.0
109.08876	11.1
113.90443	3.1
122.09662	27.4
126.02502	15.6
127.03262	56.6
133.07631	3.9
136.11247	15.7
143.02805	4.0
146.27704	3.8
150.12775	4.1
151.13530	28.1
153.04814	8.1
161.10738	25.3
162.11528	9.2
195.09554	7.6
223.08968	61.2
239.08513	4.4
256.30853	4.4
282.16324	80.2
326.15933	62.1
326.19614	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	326.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31971	1.0
55.01870	2.0
55.05256	1.5
55.05507	20.7
69.03423	3.2
69.07058	30.3
83.08611	63.7
85.02898	11.2
86.35738	1.1
87.08095	10.4
93.07040	5.2
97.02879	1.8
98.98449	16.4
102.44729	1.1
111.08079	25.0
118.31255	1.2
129.09111	100.0
130.09409	1.8
140.01132	1.5
145.62007	1.2
147.10139	22.8
157.43274	1.2
174.99321	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	326.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82342	1.1
51.30716	1.1
52.21421	1.1
55.01862	2.2
55.05502	21.6
64.68413	1.2
69.03421	3.1
69.07057	26.0
81.88525	1.5
83.08608	80.3
85.02892	13.3
93.07028	3.5
97.02885	2.1
98.98460	9.9
111.08071	33.5
127.03888	2.3
129.09111	100.0
133.34966	1.3
145.04958	1.6
147.10168	26.5
170.11810	2.4
181.40865	1.4
215.24811	1.7
262.56082	1.6
280.25040	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	326.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70384	1.5
55.01868	1.8
55.81221	1.7
57.03421	1.9
59.77437	1.5
61.88830	1.5
69.03408	4.2
69.07058	79.7
71.05020	1.9
73.06562	2.9
85.02885	20.1
86.09705	3.4
87.08099	100.0
88.08426	2.7
97.02884	4.7
98.98457	40.8
108.08108	5.7
119.10700	12.9
128.10696	26.1
129.09131	4.0
140.01108	3.0
147.10152	56.8
150.87701	1.7
164.12793	2.6
174.99298	2.4
189.60771	1.9
218.29686	1.9
282.17175	3.6
316.41370	2.1
326.16095	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	326.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.1
57.07085	1.7
59.05006	2.8
61.02930	2.7
65.72181	1.4
68.09486	1.3
69.03407	4.1
69.07059	51.2
69.07421	3.2
69.14890	1.4
70.06582	2.4
72.26456	1.5
73.06555	3.5
80.42850	1.4
85.02910	15.8
85.03328	1.7
87.08099	100.0
97.02909	3.3
98.36555	1.7
98.98460	41.3
98.99053	3.0
101.02342	1.6
103.05503	2.7
111.64729	1.6
119.10729	7.9
128.10716	20.5
129.09151	2.0
131.04915	2.3
137.06042	2.2
140.01086	3.6
147.10159	41.0
151.70660	1.5
174.99290	4.3
179.75136	1.7
326.16623	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	326.9597
Annotation	Unknow
Peak:m/z	Relative Intensity
63.25916	66.8
70.23781	71.7
74.61631	66.9
80.01072	85.2
82.64642	76.7
85.22781	82.3
86.99968	77.4
91.25288	83.7
110.99919	86.3
111.07934	86.9
164.39561	85.0
267.07434	100.0
306.92307	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.086
Annotation	5,7-Dimethoxy-3',4'-methylenedioxy-4-phenylcoumarin
Peak:m/z	Relative Intensity
50.60098	2.9
57.07048	3.7
60.45939	2.7
67.05439	2.8
93.07062	3.3
98.98457	100.0
121.06475	10.7
131.04951	4.0
137.05980	11.8
140.01086	12.1
140.06158	4.7
151.03929	5.6
155.08562	4.1
160.69618	4.2
167.04987	5.2
168.05734	15.8
174.99188	8.9
175.03983	10.7
183.08037	25.2
185.06047	6.0
196.05231	13.4
211.07526	37.3
239.07030	28.9
243.10081	36.6
253.08676	4.5
265.74280	3.9
267.06476	5.4
299.09116	75.9
327.08551	24.1
327.11884	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	327.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47635	4.4
57.02370	3.9
57.06805	6.1
57.07069	100.0
59.04998	7.7
67.05489	4.0
79.05495	8.1
81.03397	7.6
83.08607	7.3
91.05460	15.7
91.48589	4.5
93.07026	27.3
95.04957	6.8
95.08645	4.5
98.98463	92.6
104.28638	5.3
105.07032	21.2
107.04931	11.2
109.10150	7.7
111.08076	62.0
112.22804	4.9
117.07036	8.2
118.05643	5.0
119.08559	23.9
121.06518	13.8
121.10153	11.2
128.06197	7.7
129.07048	5.3
129.09122	7.4
131.04953	7.9
132.34258	4.6
133.06503	9.5
133.10139	46.5
135.04372	12.1
135.11676	23.5
137.05962	9.6
137.09619	7.2
142.07724	5.7
143.08566	14.7
145.09108	5.0
145.10081	25.8
147.04395	5.0
147.08054	9.0
148.08749	4.7
149.05971	45.9
151.03922	10.8
153.01828	14.1
161.09599	25.4
163.07516	6.8
163.11208	16.4
167.07109	6.2
171.08043	16.1
173.09598	35.6
174.99280	9.1
175.07661	6.0
177.09061	5.6
179.03336	8.8
179.10670	7.3
183.08109	9.3
189.09102	26.8
191.10686	20.4
195.06448	6.0
199.07510	8.4
201.09064	8.2
203.06996	6.3
207.10225	15.5
217.08549	14.0
219.10205	7.3
225.03972	11.5
230.65250	5.2
235.09683	19.7
245.08006	6.5
263.09161	6.6
281.10406	5.3
283.11728	7.4
309.09647	49.1
327.10587	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	327.1073
Annotation	Dihydroxypicrotoxinin
Peak:m/z	Relative Intensity
51.22032	3.8
57.06800	5.7
57.07067	100.0
61.72836	3.6
79.05483	4.3
90.24118	4.2
91.05469	9.7
93.07017	6.2
95.08626	5.1
97.39954	3.8
98.98457	48.1
107.04991	5.5
111.08078	57.4
119.08584	9.8
127.07561	4.6
131.08559	7.3
147.08052	11.2
161.09642	7.2
165.79433	4.6
169.17944	5.1
174.99104	5.4
175.07549	14.6
177.09148	7.0
189.09148	7.0
191.07169	6.3
193.08600	6.1
197.77327	5.4
203.10283	5.2
217.08501	7.8
221.08104	7.4
226.82611	5.2
237.67422	4.6
263.09415	5.6
288.44189	5.2
291.08609	8.4
309.09708	21.1
327.10654	14.2
327.14182	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1073
Annotation	Bilobalide
Peak:m/z	Relative Intensity
53.59973	1.5
57.07068	73.5
79.05469	1.7
81.07014	1.8
87.92196	1.7
91.05464	1.9
93.07053	1.7
98.98457	100.0
105.07005	2.2
107.04953	2.0
109.64507	1.8
111.08070	30.9
116.99544	2.3
129.09120	4.1
135.04413	2.6
137.05966	3.8
140.01039	12.3
174.99171	8.7
175.07629	2.9
177.09131	2.9
201.09129	2.2
218.71298	1.8
225.03847	1.9
246.39499	1.7
309.09763	9.6
323.96503	2.1
327.14114	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	327.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	17.5
57.07061	6.4
63.89112	2.2
70.49106	2.1
72.72575	2.4
81.07019	3.1
87.08753	2.3
93.07069	3.8
95.04956	9.1
98.98460	100.0
102.73267	2.3
104.15925	2.9
104.74090	2.6
105.07014	2.6
105.96538	2.4
107.04945	43.1
111.08083	5.7
115.05449	3.1
119.04957	3.0
123.04452	6.3
129.06973	2.9
131.04921	27.3
133.06477	5.1
135.04462	7.2
135.11667	2.8
137.05960	4.5
140.01054	7.0
149.06000	4.2
161.06032	3.3
174.99257	7.7
175.07617	4.4
177.05435	3.3
178.07767	4.7
181.06511	3.5
191.08588	4.9
202.07761	6.6
203.08630	5.7
207.08124	3.5
219.08087	9.7
231.08032	17.9
235.07513	3.2
247.07565	12.0
248.08305	5.9
249.09090	7.3
259.07553	13.1
260.08453	5.9
263.10730	2.9
265.08569	4.5
276.07681	6.4
277.08615	5.3
279.10077	4.9
286.45496	2.9
291.10162	32.1
295.05957	3.9
297.11212	9.4
309.11328	12.3
327.12177	4.1
338.19446	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	327.1225
Annotation	Egonol
Peak:m/z	Relative Intensity
54.23112	4.0
55.01867	56.1
55.72417	4.5
64.32726	4.5
65.03937	8.3
68.65356	4.7
74.51930	4.3
76.71771	5.4
79.05465	8.1
91.05464	19.1
91.71710	12.9
94.04203	5.7
95.04978	7.4
98.98469	71.3
102.04671	6.2
103.21100	5.5
105.07032	10.6
106.64654	5.8
107.04949	9.7
111.04430	6.7
115.05424	10.0
117.07024	10.8
119.04923	14.4
122.03606	9.6
130.04152	16.1
131.04950	6.9
133.06514	7.3
137.05969	100.0
145.06450	15.2
147.04420	31.0
149.05949	6.1
150.06734	8.5
153.05496	9.9
155.04907	6.9
161.05978	39.7
162.06749	37.8
165.05479	34.0
165.06801	6.7
173.05901	8.3
178.07758	12.9
185.05978	8.1
191.08601	10.8
202.07816	25.4
203.08568	26.4
207.08144	9.1
215.33084	6.0
219.08038	19.2
220.08786	7.0
221.09645	7.1
231.08011	52.2
247.07521	22.2
248.91678	5.8
249.08990	29.2
259.07498	27.3
277.08569	69.3
279.10229	11.2
291.10025	16.1
297.11191	47.9
309.11185	61.9
327.12268	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	327.1225
Annotation	Egonol
Peak:m/z	Relative Intensity
55.01854	7.2
57.07066	3.3
58.82406	2.6
65.03922	6.2
68.33250	3.2
68.36539	2.5
72.77708	2.4
98.98462	32.4
105.34116	2.9
107.04944	19.9
111.04457	6.3
118.06511	3.4
121.02860	90.7
121.03830	4.6
129.69939	2.8
131.04912	5.4
140.01161	3.5
145.06500	4.2
152.58583	2.8
159.08078	4.8
169.06593	3.3
174.99284	4.0
181.06509	5.6
182.07344	4.3
194.07292	4.1
195.08014	8.7
209.05853	4.0
210.06705	35.4
215.07092	5.0
217.73796	3.4
220.08943	5.3
223.07584	10.5
237.09193	3.5
238.06223	11.5
238.09912	6.5
240.07826	13.0
249.09151	6.9
251.07109	3.6
253.08563	90.2
253.12137	21.9
254.09102	4.8
260.08218	6.9
263.10751	3.8
266.09692	3.9
267.06421	4.3
268.07245	5.5
276.07858	25.7
277.08612	5.7
281.08087	79.0
281.11618	13.3
291.10147	37.1
294.08762	4.3
309.11200	100.0
327.12247	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1224
Annotation	Egonol
Peak:m/z	Relative Intensity
57.07071	3.8
62.37995	1.8
67.05488	2.3
68.26743	1.7
71.12373	2.2
78.06622	2.1
90.42336	2.1
90.62620	2.2
90.98070	1.8
95.04971	2.5
95.12931	2.2
98.98457	100.0
129.07022	4.0
131.08609	2.8
134.43144	2.4
137.05997	8.6
140.01060	10.7
143.27121	2.3
151.03893	11.6
151.04985	3.0
165.07042	4.0
174.99229	6.5
178.07802	7.7
185.06006	4.7
189.63040	2.0
193.10114	3.4
202.07784	3.8
206.07430	3.2
210.06703	18.9
221.09592	12.6
238.06224	39.1
248.08470	2.5
249.09062	11.4
253.08554	38.2
253.12323	15.0
257.21756	2.5
263.10638	2.8
276.07889	3.6
277.08569	7.3
280.11182	2.7
281.08075	41.2
281.11423	4.3
291.10233	4.1
307.62411	2.8
309.11194	49.0
327.12268	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	327.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	2.3
56.23629	1.9
57.07058	8.5
58.61963	1.7
62.95584	1.6
63.17137	1.8
70.67042	1.7
82.41385	1.9
83.08510	1.9
91.10355	2.1
92.42770	1.9
98.98460	100.0
100.52486	2.1
101.77613	1.8
111.08102	4.7
116.99455	2.7
119.81476	2.0
121.06552	2.2
137.05963	3.2
140.01080	7.7
144.51237	2.5
174.99251	12.5
214.83575	2.3
287.66019	2.3
327.14108	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	327.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29928	0.9
55.76533	1.2
57.07068	5.6
60.99766	1.1
67.05511	2.3
71.35629	1.3
79.05473	1.6
83.75331	1.4
86.09683	1.3
91.05498	2.1
91.71687	1.3
93.07015	1.8
95.08591	2.5
98.98466	67.8
105.07031	2.1
107.08592	2.2
108.56155	1.4
111.08093	3.0
114.19205	1.2
117.07011	1.5
119.08588	1.9
133.06537	1.6
133.10127	2.3
135.08014	1.7
137.06000	4.7
140.01093	5.6
145.10139	1.9
146.88193	1.5
149.06020	2.3
163.07599	2.7
174.99229	6.3
189.09239	2.1
250.96556	1.5
327.17761	100.0
342.37350	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61059	2.3
53.87674	2.0
56.14924	2.3
56.96551	10.9
56.96806	2.7
57.03474	2.0
59.72153	2.4
60.04506	3.9
67.05493	3.9
68.52538	2.7
70.75724	2.5
81.07065	6.1
91.56637	2.8
95.08595	3.6
98.98460	100.0
137.05995	3.9
137.30429	2.8
140.01096	7.9
174.99220	6.0
209.34756	3.4
278.51254	3.1
291.16556	3.6
309.17535	12.1
327.18506	6.6
332.19052	3.2
345.19574	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07717	2.5
56.96562	2.3
65.62442	2.1
67.05503	3.7
68.19884	2.0
68.41659	2.4
74.94709	2.2
75.59879	2.2
78.34297	2.6
81.07029	4.2
82.40347	2.4
91.05463	5.4
91.71612	2.7
93.07010	3.0
95.08618	4.2
98.98456	100.0
112.32648	2.1
121.06481	3.3
140.01045	15.9
147.11652	2.9
174.99251	10.7
175.41321	2.6
273.18295	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	327.2317
Annotation	Confluentin
Peak:m/z	Relative Intensity
53.74981	2.8
55.05488	11.4
67.05494	75.9
69.07052	11.8
79.05472	14.0
81.06596	7.5
81.07045	100.0
83.08614	8.0
86.53033	3.1
91.05474	11.7
93.07037	10.4
95.04918	4.9
95.08591	73.9
98.98452	41.1
100.96013	3.3
105.07034	9.3
107.04939	27.1
107.08614	6.2
109.10153	24.5
119.87642	3.7
121.06495	24.9
121.10188	10.2
123.11676	7.3
131.04932	5.5
131.08537	3.6
133.05424	4.7
133.06474	40.0
135.04437	9.1
135.11665	9.4
136.92706	3.7
140.01077	6.7
145.06438	29.5
147.08023	43.6
149.13281	4.8
159.08064	14.8
161.06020	11.9
161.09637	11.6
163.14760	4.7
164.96301	3.6
171.08122	5.3
173.09625	10.6
185.09546	5.5
258.62643	4.0
276.07422	4.0
293.29889	3.7
297.59076	3.7
309.22037	19.6
326.82986	4.7
327.22989	40.7
344.60397	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	14.0
57.07056	9.9
58.05006	5.0
67.05500	42.1
69.07071	32.0
79.05473	24.1
81.07048	47.9
83.08597	6.9
89.38598	5.8
91.05486	50.8
93.07033	87.2
95.04960	88.0
95.08595	77.3
97.06533	19.1
98.98461	100.0
105.07031	79.3
107.08578	41.2
109.06516	10.1
109.10175	32.3
117.07015	26.1
119.08565	72.6
121.06507	22.2
121.10116	38.2
123.08082	10.2
123.11665	10.2
128.06219	10.6
129.06979	14.1
130.07780	15.5
131.08574	21.4
133.10117	51.2
135.08055	8.7
135.11777	8.1
140.01080	11.7
142.07790	11.2
143.08548	18.7
144.09393	10.9
145.10121	51.8
147.11710	15.0
157.10135	29.0
159.11699	48.8
161.09628	18.3
161.13264	7.1
169.10153	9.5
171.11681	15.6
173.13321	17.3
175.14813	18.9
181.10063	7.4
187.14812	9.8
197.13329	10.7
209.13155	10.5
215.14223	7.6
217.15819	8.3
309.22214	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	327.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31907	2.9
53.03957	3.3
55.05495	4.8
57.07061	7.1
67.05489	23.4
69.07043	10.9
75.89438	3.7
79.05481	13.7
79.26246	3.5
80.71317	3.5
81.07036	14.8
83.08630	4.1
91.05468	22.0
93.07035	37.3
95.04970	45.9
95.08593	40.5
97.06516	8.8
98.97875	8.1
98.98468	100.0
105.07019	33.1
107.08595	20.5
109.06515	6.2
109.10152	15.4
113.88247	4.4
117.07020	10.3
119.08566	29.5
120.80808	4.1
121.06491	8.5
121.10152	18.4
123.11739	6.0
129.06998	4.4
130.71581	3.7
131.08597	10.9
133.10136	21.5
135.11723	7.3
140.01079	9.3
142.07776	6.7
143.08534	8.9
145.10130	18.5
147.11652	7.1
157.10146	13.1
159.11687	16.0
160.74757	4.4
161.09642	10.2
169.10220	5.8
171.11722	10.8
171.36626	4.5
173.13272	10.0
174.99210	10.6
175.14766	6.1
179.48476	4.1
179.66428	4.2
187.11127	5.6
187.14839	9.8
195.11739	4.1
199.14835	4.4
250.83351	4.4
275.87073	5.2
311.48505	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	327.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
53.82373	2.5
54.63451	2.5
55.05256	3.9
55.05507	50.9
57.03429	21.2
57.07060	5.9
60.04522	3.5
67.05498	69.8
67.05837	5.5
69.07061	69.0
71.04990	9.2
79.05486	22.6
81.07048	100.0
83.08609	39.1
85.06577	5.3
91.05488	19.5
91.71043	3.5
93.07025	24.8
95.08598	75.0
97.06544	4.6
97.10185	17.2
98.98462	57.5
99.08070	3.5
105.07052	8.1
107.08573	16.4
109.10152	26.2
110.55679	3.1
111.08026	4.4
111.11707	7.6
119.08576	8.9
121.10123	17.6
123.11718	11.1
132.91528	3.1
133.10127	9.1
135.11693	19.1
136.47520	3.0
137.13240	5.7
139.11198	4.1
140.90651	3.4
147.11725	4.5
161.13234	5.9
174.99197	4.2
217.19516	5.6
235.20428	5.2
260.31641	3.7
287.63971	3.9
309.24313	8.5
327.25272	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12003	5.2
55.05507	70.4
57.03434	35.7
57.07057	9.8
58.32748	4.4
60.04506	8.3
67.05495	99.5
69.07063	83.0
69.95284	4.4
70.82462	4.8
71.04980	11.0
79.05486	25.8
81.07047	100.0
83.08621	41.0
85.06525	9.1
91.05462	14.2
93.07038	35.1
95.08599	93.7
97.06527	8.2
97.10158	25.4
98.98454	67.0
105.07008	12.7
107.08578	18.6
109.10139	46.0
119.08564	13.2
121.10160	19.2
123.11687	12.3
125.09686	6.3
133.10135	9.7
135.11679	20.9
135.42944	5.5
147.11682	10.0
165.12645	6.0
174.99248	7.9
196.96765	6.2
200.30397	6.2
200.84837	6.8
212.08794	6.3
217.19440	10.7
219.63469	6.0
235.20648	7.4
309.24316	7.7
327.25333	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	27.5
57.03423	16.2
57.07064	6.4
59.65322	3.0
67.05499	40.2
69.07055	35.6
71.04958	5.6
74.82452	3.2
79.05467	8.4
81.07047	47.8
83.08599	21.7
91.05496	5.3
93.07036	10.1
95.08601	35.8
97.06556	3.4
97.10146	12.5
98.98457	100.0
105.07008	5.6
107.08597	9.7
109.10155	14.0
112.65016	3.0
119.08540	6.9
121.10136	11.7
123.11795	4.8
131.46169	3.5
135.11699	8.6
137.39468	3.7
140.01065	6.3
142.38416	3.5
165.12721	4.3
174.99249	10.1
254.46826	3.8
327.25327	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41326	2.2
55.05514	3.4
64.01043	2.3
64.03219	2.5
67.05508	8.9
69.07071	10.1
71.05035	2.7
71.08610	16.9
79.05490	5.0
81.07048	18.4
83.08640	5.5
87.76616	2.7
87.78936	2.6
93.07067	11.9
95.08628	11.5
97.06534	3.9
98.70592	3.1
98.98451	100.0
99.08112	8.3
105.07061	8.1
107.08617	8.8
109.10205	4.5
116.99510	2.8
118.08652	2.8
119.08603	6.8
119.95261	2.7
121.10133	3.2
123.08080	4.0
133.10132	2.8
137.06076	3.3
140.01003	13.2
147.80919	3.0
152.56316	3.1
165.12819	7.6
174.99323	11.6
207.21272	3.2
274.82834	2.8
291.23233	9.0
309.24203	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	5.2
55.05506	35.4
57.03417	24.8
57.07053	7.5
62.42516	4.9
65.38947	4.9
67.05495	75.3
69.06732	6.9
69.07057	71.7
79.05483	22.7
81.07043	93.3
83.08614	28.1
85.23038	5.1
91.05472	21.0
93.07039	22.8
95.08602	71.6
97.06481	5.5
97.10160	6.5
98.98465	100.0
103.03942	15.3
103.24207	5.6
105.07020	14.5
107.08575	7.0
109.10155	25.1
111.22122	5.3
119.08587	11.9
121.10146	15.2
123.08057	7.4
123.11656	9.6
129.05458	9.5
133.10118	16.8
135.11769	7.8
140.01057	9.8
151.14883	9.4
158.50185	6.4
161.13304	6.3
167.14340	6.7
174.99272	9.4
193.48523	6.6
217.19566	21.2
226.70842	9.2
235.20605	19.5
309.24146	17.7
327.25232	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.6
55.05505	19.9
57.03424	12.5
57.07061	15.0
63.21777	2.6
65.68597	2.8
67.05499	100.0
69.07056	30.9
71.08605	5.0
79.05483	21.6
81.06599	7.3
81.07049	98.4
83.08614	20.6
85.06522	7.1
91.05472	26.3
93.07045	26.2
95.08036	6.9
95.08599	90.2
97.06511	11.3
97.10154	15.1
98.98457	36.0
99.08109	4.8
103.03929	3.0
105.07024	12.6
107.08580	16.6
109.06454	3.5
109.10147	27.6
111.08060	6.2
111.72906	3.0
113.09682	6.2
118.08798	3.4
119.08563	18.5
121.10144	17.2
122.82076	3.5
123.11687	19.4
127.11210	3.2
133.10104	20.8
135.11682	21.6
137.09656	4.1
137.13264	12.3
147.11731	13.2
149.13278	6.8
151.14830	12.3
152.46658	3.4
161.13255	12.4
175.14825	4.7
217.19493	47.6
217.74858	3.8
235.20547	36.1
277.60883	4.2
309.24197	18.3
315.31305	4.3
318.81302	4.4
327.25525	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	327.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	18.1
55.05505	27.4
57.03424	12.4
57.07073	11.2
60.74435	1.9
65.44360	2.2
67.05495	49.6
67.34006	1.9
69.07063	34.8
71.08619	3.6
73.02899	2.7
79.05479	7.0
81.03418	4.2
81.06602	4.6
81.07047	68.5
83.08614	20.1
86.22366	2.6
91.05471	6.3
93.07022	7.6
95.04901	2.4
95.08595	60.2
97.10147	10.9
97.16385	2.2
98.98455	23.6
101.06052	2.9
105.07004	2.9
109.06517	2.4
109.10143	25.7
111.11676	3.4
121.10136	4.8
123.11700	7.3
129.05437	4.3
133.10109	3.3
135.11664	3.2
137.13287	2.9
140.01102	3.7
149.13228	2.4
151.14807	4.2
171.74864	2.7
174.99202	3.7
327.25262	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67111	2.7
55.01870	18.8
55.05509	30.0
57.03431	18.1
57.07062	10.9
66.12711	3.0
67.05167	5.6
67.05495	63.5
67.87209	2.9
69.07063	43.0
69.41024	2.7
71.04971	5.1
71.08618	7.3
77.31491	3.1
79.05478	7.2
81.03436	4.1
81.07049	72.8
81.65523	3.3
83.08609	24.5
87.08142	2.9
90.44872	3.1
93.07028	6.6
95.08595	67.1
96.14146	3.1
97.10158	10.3
98.97865	6.3
98.98458	64.1
99.56421	3.1
107.08598	7.0
109.10145	33.2
111.11726	5.5
123.11699	12.7
135.11665	6.4
150.42580	3.4
166.10800	3.7
174.99327	6.6
203.23111	3.5
205.65125	3.1
225.85506	3.1
235.20387	4.8
327.25293	100.0
327.29214	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	327.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41779	2.9
53.00287	2.9
55.01851	5.6
55.05500	25.9
56.59524	3.0
57.03429	5.7
57.07056	11.3
62.50253	3.0
67.05493	100.0
68.95635	3.0
69.07055	35.1
69.82604	3.3
71.08620	5.5
79.05479	27.1
81.07043	98.6
83.08616	14.5
91.05457	27.1
91.62605	3.5
93.07039	28.9
95.07963	5.0
95.08589	85.9
95.09159	6.6
97.06521	8.4
97.10139	7.2
98.98457	31.5
99.08104	6.3
103.03909	4.2
105.07022	16.1
107.08595	9.7
109.10133	32.5
109.36102	3.2
113.09627	5.8
119.08594	16.5
121.10143	20.1
123.11704	17.1
127.11189	4.3
129.05539	4.9
133.10085	19.4
135.11694	21.6
137.13229	11.0
144.75488	3.4
147.11688	13.3
149.13234	6.9
151.14792	12.0
161.13254	16.3
172.62320	4.1
175.14729	4.9
217.19496	43.1
235.20592	31.0
309.24100	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	327.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	22.2
57.03434	7.0
57.07085	13.0
58.81408	4.2
59.21668	4.4
63.10869	3.7
65.03979	4.7
67.05492	98.0
69.07051	35.7
71.08633	4.5
79.05502	22.1
81.07043	100.0
81.07474	6.7
83.08640	15.5
85.01128	4.3
85.06573	5.1
91.05457	27.8
91.71026	4.4
93.07031	29.8
95.08596	86.9
95.09128	5.7
97.06521	10.5
97.10207	5.9
98.98455	50.7
104.67653	4.5
105.07057	8.8
107.08627	18.5
109.10135	27.1
119.08576	22.8
121.10118	28.2
123.11735	18.2
123.18949	4.3
133.10168	14.6
135.11751	21.6
137.13240	10.8
147.11748	18.3
149.13272	5.3
151.14836	7.8
161.13268	11.7
209.23340	5.0
217.19490	50.3
235.20490	35.2
251.14140	5.6
309.24365	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	327.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	9.9
57.07069	28.0
62.51616	2.2
67.05486	12.6
67.75620	2.3
69.07059	21.4
69.31295	2.2
70.17139	2.1
71.08624	18.9
79.05486	4.6
81.07048	21.8
83.08607	16.9
85.06521	2.7
85.10180	5.6
91.05479	3.2
93.07038	4.2
95.08599	27.5
97.10160	17.2
98.98457	100.0
107.08583	2.9
109.10136	6.2
111.11740	3.4
121.10154	3.7
121.64928	2.4
123.11723	6.6
123.73282	2.9
125.24467	2.5
128.74557	2.9
135.11710	3.6
140.01083	10.1
141.12672	3.0
174.99226	8.8
183.14046	2.9
189.87309	3.2
203.14635	3.1
270.35745	3.2
273.25778	3.5
291.26816	3.4
293.08871	2.9
327.25119	7.3
327.28900	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	328.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68678	5.0
52.98861	5.7
55.05507	14.7
57.03425	7.2
57.07065	89.1
60.04512	36.3
67.05495	15.5
69.07069	17.7
79.05497	8.7
81.07053	30.8
91.05499	12.0
94.07365	6.4
95.08630	20.7
98.98455	100.0
98.99035	7.1
116.07069	7.1
135.04453	17.4
137.06035	7.8
140.01091	11.2
153.05519	6.7
174.99226	9.0
184.02757	7.2
209.04584	14.1
227.05487	63.7
227.07343	7.3
287.05420	13.6
299.20541	7.3
309.21436	7.9
311.02200	7.6
311.11331	17.2
327.25232	9.6
328.14041	17.9
328.24594	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	328.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50237	0.6
55.05498	1.0
56.05020	1.0
60.08151	5.7
61.20045	0.6
67.04208	0.9
68.05008	3.3
69.05800	5.7
69.07048	2.6
70.06581	14.9
72.08145	13.9
74.56226	0.8
79.05470	1.9
81.07050	8.5
84.04510	0.8
86.00626	1.2
86.09701	40.1
88.84351	0.7
94.05338	0.9
98.98460	49.0
100.02193	3.6
106.81887	0.8
107.04945	1.2
109.99761	0.8
110.07174	1.6
110.69197	0.8
116.07085	27.1
116.99448	1.1
124.52480	0.8
127.03258	100.0
140.01031	6.1
141.01653	0.8
143.02733	1.8
174.99219	2.2
176.98871	1.5
181.08023	0.8
185.16479	8.6
186.10623	4.8
213.15919	5.6
215.13696	0.8
225.10545	29.7
268.28717	0.9
270.85764	1.0
284.17899	35.1
328.17065	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	328.1751
Annotation	Cropodine
Peak:m/z	Relative Intensity
51.99360	0.8
53.54371	0.8
55.92361	1.1
65.49707	0.8
69.03427	1.1
75.85131	1.0
81.03419	1.0
85.02898	1.6
91.05460	4.3
93.07031	7.4
95.04967	2.2
97.51285	0.9
103.05444	5.0
121.06493	100.0
121.41827	1.1
138.95801	1.0
166.12254	7.7
173.88354	1.0
223.49692	1.1
268.51321	1.1
317.65210	1.3
328.17487	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71857	1.4
55.05497	5.1
57.07072	3.9
58.84770	1.3
60.08152	4.0
67.04230	1.8
68.05023	1.5
69.05796	3.5
70.06192	1.6
70.06586	45.1
72.08148	84.6
75.11559	1.8
81.07034	5.1
86.09695	67.7
90.45055	1.5
98.97791	2.2
98.98455	40.4
99.18076	1.6
100.02184	1.9
107.04993	1.5
116.07086	100.0
127.03256	54.2
140.01129	1.6
160.47755	1.7
174.99274	2.5
185.16481	32.2
213.15997	18.6
225.10545	16.1
276.59940	1.6
284.17947	20.3
313.67105	1.7
328.16815	2.3
350.52991	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	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.8
55.05501	12.9
62.89478	2.0
67.05498	32.0
67.19028	1.8
69.07066	28.9
71.04980	3.4
79.05483	20.1
81.03410	5.3
81.07050	46.7
83.04968	4.6
83.08607	6.6
83.94580	1.7
85.06538	4.5
91.05476	20.5
93.07037	23.4
95.04942	10.6
95.08604	20.9
97.06513	5.2
97.10155	5.2
98.98465	100.0
99.01405	2.0
105.07022	15.5
107.04974	2.1
107.08585	13.5
109.06514	6.0
109.10154	6.9
117.07030	3.0
119.08572	14.5
121.06527	2.6
121.10229	5.7
123.08050	5.5
123.11692	3.1
131.08601	5.5
132.07980	2.5
133.10110	14.1
135.08025	3.0
135.11693	13.6
137.09648	3.9
140.01102	9.2
145.10156	5.1
147.11705	7.4
149.09610	3.2
149.13298	3.5
157.10168	2.1
159.11674	5.7
161.13348	2.6
163.11201	4.9
173.13190	2.9
174.99226	8.3
175.87996	2.8
181.12273	10.5
195.13882	3.5
211.51949	2.4
219.31003	2.1
233.15582	2.8
275.19977	11.8
293.21295	5.1
328.18753	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	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89453	3.5
55.05256	5.2
55.05505	69.9
67.05470	20.1
69.03416	9.6
69.07047	10.8
75.09630	4.2
79.05487	35.3
81.07048	23.1
83.04971	5.6
83.08611	46.5
85.92971	3.6
89.84628	3.6
91.05473	13.3
91.71657	8.5
93.07021	10.2
95.08596	8.1
97.10162	92.1
98.98458	48.4
105.07021	17.1
107.08588	100.0
110.38156	3.6
117.07109	3.7
119.08614	3.8
125.09621	68.0
125.10487	5.3
131.08536	6.8
133.10104	7.1
145.10078	7.9
147.11685	6.0
149.09697	4.8
158.13937	4.2
171.10149	13.1
171.11603	5.8
171.45314	3.9
189.11198	80.0
191.00479	4.4
229.85373	4.4
275.20001	50.1
292.79099	4.9
293.21100	5.7
293.29391	4.2
309.87289	4.7
324.41510	5.0
328.26202	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	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	3.9
53.88115	2.8
55.01876	2.5
55.05511	16.7
55.38689	2.9
56.96537	2.8
57.03424	3.2
57.07040	2.6
62.17399	3.0
65.74036	3.1
67.05495	55.5
69.03397	4.5
69.07057	37.9
69.84414	3.0
71.04972	4.7
79.05472	25.7
81.03409	8.0
81.07048	70.4
82.12720	3.2
83.04963	7.0
83.08608	13.0
85.06499	4.2
91.05452	32.3
93.07030	32.5
94.84956	3.4
95.04961	10.3
95.08597	38.9
95.76615	3.2
97.06497	8.5
97.10178	4.5
98.09679	4.0
98.98459	100.0
99.08083	4.1
102.98277	3.3
105.07012	27.9
107.04946	4.3
107.08595	19.7
109.06488	8.0
109.10168	12.4
117.07010	7.8
119.08579	18.9
121.06440	3.8
121.10129	18.2
123.08060	7.1
123.11684	6.3
125.09779	4.1
131.08542	9.9
133.10133	12.7
135.11670	17.7
137.09625	4.6
140.01115	5.5
144.81813	3.5
145.10095	11.1
147.11664	9.6
149.09648	3.9
149.13246	3.7
159.11656	10.0
173.13336	5.7
174.99176	8.0
181.12231	13.6
184.94788	3.3
195.13805	8.5
275.19986	22.8
293.21133	4.2
328.18842	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	328.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	9.4
57.07064	5.8
69.07064	8.1
77.31789	7.9
91.05457	16.8
98.98450	28.6
106.06558	24.9
114.06950	6.9
119.25103	10.0
120.08082	7.4
122.22491	7.6
123.44666	8.2
132.08090	60.1
133.08856	10.2
134.09660	31.6
146.09741	16.4
151.19931	7.1
245.19344	8.1
259.55020	7.4
328.29886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36576	1.6
52.57909	1.5
59.35004	1.7
59.88206	1.5
60.42833	1.7
68.90903	1.7
69.07058	1.8
71.95345	1.9
72.17390	1.8
88.08324	2.1
91.05477	3.6
98.98463	5.0
106.06554	22.1
146.09641	3.5
159.10452	14.6
172.11194	3.8
182.27359	2.1
317.52115	2.1
328.29965	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0864
Annotation	Bergenin
Peak:m/z	Relative Intensity
53.00290	0.7
55.01865	0.6
55.96415	0.5
58.22125	0.5
65.03927	3.7
66.60246	0.5
69.03412	2.2
76.40192	0.6
77.48821	0.6
85.02900	4.2
91.05476	0.6
93.07022	1.1
95.04940	0.7
97.02872	1.4
98.98458	39.4
103.05440	0.7
107.04931	1.3
111.04429	8.3
116.99538	1.2
121.02852	11.4
121.06518	3.2
123.04419	1.3
139.03819	0.8
140.01056	3.9
149.02330	0.8
164.30365	0.6
167.03383	100.0
174.99213	2.4
184.05966	1.0
252.99753	0.9
294.76712	0.8
311.70474	0.7
329.12244	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	329.1016
Annotation	2-(3,4-Dimethoxyphenyl)-3-hydroxy-7-methoxy-4H-chromen-4-one
Peak:m/z	Relative Intensity
55.96795	3.6
61.24546	2.8
67.05495	3.0
91.05441	4.1
91.71032	6.5
93.88821	2.7
98.98459	100.0
107.04917	3.5
108.54475	2.8
121.06506	3.8
125.88798	3.1
137.05969	13.4
140.01094	11.4
141.05415	3.4
149.05998	4.7
151.03894	44.9
169.06538	3.5
174.99239	5.4
176.98978	5.4
177.05460	3.9
187.07469	3.3
197.05978	9.8
205.04974	17.4
227.07004	7.7
229.08554	4.8
241.08725	5.4
243.06572	3.7
255.06531	9.7
269.08063	8.3
270.08835	7.1
273.11240	29.9
283.09644	5.4
285.07690	4.9
297.07635	6.1
298.08441	4.3
300.09735	3.8
301.10757	4.9
329.10172	51.9
329.13766	6.2
338.88391	3.4
352.85510	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	329.1017
Annotation	Cladrastin
Peak:m/z	Relative Intensity
52.72175	2.1
52.89489	2.0
58.93893	2.1
73.45163	2.6
79.05472	4.3
81.07069	2.6
81.48908	2.4
89.03890	4.2
91.05461	7.3
95.04966	6.0
98.98454	100.0
103.05463	3.0
105.00048	2.8
107.04964	5.2
121.06505	10.0
121.39735	2.4
122.03685	2.9
123.04446	2.5
124.05222	7.5
129.07025	4.1
131.04887	4.4
135.04433	5.9
137.05945	24.0
140.01073	8.1
149.05937	17.2
151.03900	4.5
151.07527	3.2
152.06206	8.6
153.06979	15.2
158.77037	2.8
161.06007	2.8
165.07007	5.9
167.08578	3.9
168.86499	2.7
169.06445	4.2
174.99199	5.9
175.07440	3.4
177.05403	5.6
180.05699	4.0
181.06451	27.1
195.08092	11.9
197.05939	5.5
206.90573	3.0
209.05913	10.3
211.07498	3.5
213.09100	10.1
218.70934	2.9
221.05942	4.2
223.07469	13.5
226.06261	4.7
237.05519	10.8
240.07732	5.9
241.08554	8.6
251.07062	12.3
254.05571	3.8
255.10204	3.6
268.07242	7.0
269.08044	17.2
279.06790	2.9
283.09625	11.1
297.07703	7.7
301.10834	4.3
311.09091	19.7
329.10144	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	329.1017
Annotation	6,3'-Dihydroxy-4,4'-dimethoxy-5-methylaurone
Peak:m/z	Relative Intensity
56.96544	1.7
66.85374	1.6
67.32191	1.8
68.50516	1.7
79.05499	3.9
87.19855	2.0
91.05455	2.9
92.02619	2.0
93.07032	16.0
98.98454	100.0
107.04920	2.7
121.06514	2.6
122.03654	2.8
123.04448	2.1
127.67389	1.9
131.27988	2.4
133.06522	2.2
133.60385	2.3
135.04390	8.0
137.05971	22.2
140.01038	11.1
149.06006	2.2
153.05389	2.2
161.05916	2.7
163.03893	9.2
165.05493	2.6
165.07010	4.1
174.99228	11.4
175.07393	2.3
177.05484	5.2
187.07460	2.2
193.05023	2.6
200.87964	2.1
204.06540	2.4
297.07654	4.4
311.09058	3.5
329.10233	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42011	1.6
57.22734	1.8
64.72028	1.8
69.03403	1.9
70.06569	2.0
85.02898	2.2
91.71635	3.5
98.98454	100.0
108.25478	2.2
119.08544	6.0
121.43948	2.3
140.01068	8.1
149.05772	3.5
167.06775	4.8
167.10643	6.8
174.99161	6.2
176.98956	2.8
203.05296	7.2
329.12021	83.2
329.15936	4.2
340.23477	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	329.1229
Annotation	2alpha-Hydroxyneoanisatin
Peak:m/z	Relative Intensity
51.81646	1.4
51.98940	2.1
53.00261	1.7
53.52551	1.5
57.07068	100.0
63.02033	1.6
64.89775	1.8
65.47353	2.0
69.07039	2.7
75.58756	2.0
78.74313	2.0
79.05469	1.9
83.08617	2.3
83.28512	1.9
91.05471	4.6
93.07036	3.3
95.04961	9.1
97.06507	2.8
98.98463	31.5
109.06499	6.5
110.55235	2.2
111.08043	16.6
116.55453	2.4
119.04942	4.2
121.10098	2.4
127.07516	14.6
131.35812	2.4
137.05997	7.1
140.01099	2.9
141.01826	2.8
145.10127	2.2
209.04448	7.1
227.05467	3.0
243.75546	2.7
247.09671	2.5
293.10159	33.8
311.11203	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	329.138
Annotation	Unknow
Peak:m/z	Relative Intensity
74.41743	2.0
78.75829	2.1
87.50424	2.3
88.94775	2.1
90.35604	2.1
94.04171	2.9
98.98460	30.9
105.62872	2.2
107.04964	4.1
115.05466	6.8
117.07013	3.6
118.99907	2.7
122.03628	11.4
137.05966	100.0
140.01097	2.5
144.05682	5.7
145.00519	2.2
145.06459	4.8
149.05946	4.9
160.05203	12.6
161.05942	4.3
162.43504	2.9
172.05165	4.7
175.07515	43.4
177.09177	3.1
177.86740	2.7
187.07518	31.4
205.08493	3.9
219.08119	2.9
232.85815	2.7
251.10677	5.2
267.54218	2.6
279.10330	8.8
311.12778	14.8
329.12067	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	329.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29808	2.5
66.40123	2.6
69.03429	4.7
72.27398	2.5
79.05502	5.5
81.07060	10.8
81.52280	2.5
85.02914	3.8
91.05477	6.8
93.07037	16.9
94.04161	6.2
95.05017	4.6
98.45409	3.0
98.98464	31.4
98.99066	3.1
101.16984	3.0
103.47508	2.8
105.07072	3.2
107.04945	3.8
107.08609	4.7
109.06545	5.6
115.05475	7.6
117.07034	6.1
121.10115	22.4
122.03707	7.4
123.11730	4.2
125.05959	3.3
137.05974	100.0
144.05707	5.3
145.06534	6.4
145.76848	2.7
149.06070	5.4
149.09671	6.6
160.05222	16.0
167.10764	5.3
172.05252	3.7
175.07538	44.6
183.02649	3.0
187.07538	30.1
191.08759	2.9
205.08742	3.3
219.08141	5.2
247.07715	4.3
251.10741	4.4
252.31934	3.5
279.10196	7.7
283.09781	7.5
311.12704	15.5
350.69284	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	329.138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96540	1.5
57.07046	1.6
61.66867	1.4
69.03413	1.6
70.71642	1.5
75.35269	1.7
75.42316	1.6
75.83218	1.6
77.01612	1.7
79.05527	1.9
81.00494	1.6
83.07967	1.8
85.02903	2.3
91.05463	6.5
91.96762	1.5
93.07053	1.9
98.98457	100.0
107.04955	23.2
109.06504	2.2
115.05468	2.7
121.02879	3.3
121.06523	2.5
121.10152	2.1
131.04916	15.2
133.06531	2.7
137.05969	10.4
140.01057	12.0
145.06500	2.4
149.05968	4.1
165.06938	2.2
173.37213	1.8
174.99232	6.0
175.07565	4.8
176.98999	2.5
178.07825	4.1
179.08539	3.1
181.06564	2.8
187.07520	2.8
194.07259	3.7
195.08005	2.4
196.08815	2.1
202.07851	2.7
202.77815	1.8
203.08562	2.9
207.08028	5.1
209.09605	4.4
219.08125	2.3
221.09634	6.4
223.07422	3.5
224.08339	2.5
231.08012	4.3
233.09897	2.1
249.09035	12.3
255.10141	4.2
267.10117	18.5
269.11639	4.0
281.11783	13.3
291.53030	1.8
299.12762	5.9
311.12637	14.4
329.15836	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	329.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29808	2.5
66.40123	2.6
69.03429	4.7
72.27398	2.5
79.05502	5.5
81.07060	10.8
81.52280	2.5
85.02914	3.8
91.05477	6.8
93.07037	16.9
94.04161	6.2
95.05017	4.6
98.45409	3.0
98.98464	31.4
98.99066	3.1
101.16984	3.0
103.47508	2.8
105.07072	3.2
107.04945	3.8
107.08609	4.7
109.06545	5.6
115.05475	7.6
117.07034	6.1
121.10115	22.4
122.03707	7.4
123.11730	4.2
125.05959	3.3
137.05974	100.0
144.05707	5.3
145.06534	6.4
145.76848	2.7
149.06070	5.4
149.09671	6.6
160.05222	16.0
167.10764	5.3
172.05252	3.7
175.07538	44.6
183.02649	3.0
187.07538	30.1
191.08759	2.9
205.08742	3.3
219.08141	5.2
247.07715	4.3
251.10741	4.4
252.31934	3.5
279.10196	7.7
283.09781	7.5
311.12704	15.5
350.69284	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	329.1382
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
50.42774	2.3
52.18896	2.1
53.78600	2.2
53.94091	2.2
54.21278	2.7
57.07059	3.6
59.99424	2.3
68.59161	2.4
76.10582	3.1
87.22797	2.7
87.43133	2.4
91.05552	2.7
98.98459	100.0
135.72821	3.2
137.05928	14.2
140.01073	14.0
145.06482	2.7
151.03932	9.9
153.59009	2.8
159.08070	3.7
161.26320	3.2
174.99237	9.1
195.08008	4.6
223.11198	6.9
237.09221	3.6
240.07903	8.3
251.07039	8.6
251.10699	10.2
253.08504	5.2
268.07233	18.0
270.09015	9.5
279.10178	11.9
282.09030	3.6
283.09653	50.5
283.13257	21.1
311.12787	23.0
329.13837	17.9
344.08401	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	329.1381
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
53.23473	1.8
57.07073	1.5
59.00601	1.5
61.40077	1.5
63.45324	1.4
65.03904	2.2
67.05446	2.6
98.98458	53.6
99.87764	1.7
108.02041	3.0
115.05493	1.9
122.03556	2.0
123.76254	2.1
131.04903	2.1
135.08031	2.3
137.05968	13.7
140.01077	3.2
141.05478	4.7
145.06467	2.8
149.75499	1.8
151.03899	52.9
151.05032	6.1
157.08281	2.0
159.08037	5.7
165.06993	5.0
167.08510	2.5
174.99092	2.3
181.06538	2.1
182.07219	2.4
187.07466	2.3
190.07748	2.9
191.08559	5.7
192.09258	3.0
193.06381	3.5
195.08040	4.4
197.06013	2.5
197.09586	7.2
207.08063	5.1
208.08788	5.7
210.06656	4.6
212.04935	1.9
215.18059	2.4
219.08060	4.5
220.08797	2.5
223.07585	4.7
223.11156	17.4
225.09074	9.8
227.07037	11.2
236.08353	5.3
237.08977	3.8
238.06285	3.7
239.06996	4.0
240.07762	20.1
240.11418	2.3
242.09258	2.1
243.29550	2.0
251.06880	2.8
251.10625	14.0
253.04964	4.3
253.08517	13.2
255.06509	6.8
255.10176	3.2
266.77301	2.1
268.07285	41.5
268.10474	3.2
270.08807	24.0
279.10211	3.1
283.09598	100.0
283.13223	63.0
293.11819	2.1
296.10315	5.3
301.14230	16.0
311.09125	2.4
311.12711	51.3
329.13763	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1494
Annotation	H-Tyr-Phe-OH
Peak:m/z	Relative Intensity
50.74338	0.5
56.96556	0.7
67.87902	0.6
70.06583	3.6
72.08134	1.7
75.25706	0.6
78.67682	0.6
86.09701	1.9
91.05469	34.8
98.98454	25.5
100.83327	0.6
103.62548	0.6
107.04942	5.1
109.06483	0.9
118.06515	1.1
119.04929	18.9
120.08096	9.1
121.06467	2.4
136.07570	100.0
139.46832	0.7
140.01019	1.5
146.06015	1.9
150.73256	0.7
166.08588	3.4
167.06917	0.8
174.99213	2.5
176.98834	1.1
193.31013	0.7
206.07976	1.1
329.15295	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	329.1494
Annotation	phenylalanyltyrosine
Peak:m/z	Relative Intensity
53.61993	0.6
58.49856	0.5
69.03409	0.5
69.07055	1.1
70.06244	0.8
70.06586	8.3
71.06911	0.9
72.08146	7.1
73.08475	0.9
76.58285	0.6
81.07034	1.1
84.04499	1.0
84.08128	1.6
86.06068	1.5
86.09698	9.2
87.10037	1.0
89.34996	0.6
90.33653	0.6
91.05465	2.2
91.79619	0.6
93.07023	2.7
95.04983	1.0
98.98463	47.1
101.73368	0.7
103.05470	7.2
107.05000	0.6
108.01266	0.8
110.58845	0.7
116.07103	5.2
119.04996	1.4
120.08101	100.0
123.04424	1.0
127.03254	1.5
129.10185	0.8
130.04169	1.0
132.06573	1.7
136.07599	5.7
137.06003	1.0
140.01085	5.1
145.31812	0.8
165.05493	2.7
174.99265	3.4
176.98941	1.3
182.08147	4.2
185.16600	1.8
186.16827	1.0
247.61829	0.8
283.13992	1.2
329.15625	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	329.157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72950	1.4
53.39822	1.4
55.59151	1.5
56.96552	2.7
59.08521	1.4
64.99821	1.6
67.05490	1.6
69.07066	2.4
70.06587	13.6
72.08135	3.0
81.07059	2.4
84.08129	2.8
86.09698	3.6
91.05455	1.9
92.14649	1.8
98.98460	100.0
116.99530	1.6
128.78862	1.7
137.05946	8.8
139.03796	1.9
140.01036	9.0
169.13382	2.9
174.99232	6.1
175.07539	4.6
201.03690	1.7
201.48323	1.8
205.85002	1.8
208.28822	2.1
311.12607	2.0
328.21124	2.4
329.15671	70.3
329.21619	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	329.157
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31987	1.3
70.06596	3.3
84.04480	2.1
91.05435	2.7
91.71699	3.4
98.98463	100.0
101.61684	1.6
103.05544	1.9
109.06516	2.4
109.10151	3.3
116.99550	1.8
121.85144	1.7
137.05989	4.7
140.01102	10.5
174.99222	5.3
181.98921	1.8
207.47592	1.9
287.17099	2.1
329.11987	4.6
329.15677	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	329.1591
Annotation	Rhododendrin
Peak:m/z	Relative Intensity
53.03927	5.7
55.01860	13.9
55.05482	6.8
55.33481	4.6
57.03415	7.2
58.53585	4.0
60.21126	4.2
61.02568	4.6
61.02901	12.5
63.62502	4.1
63.99918	3.7
66.04696	4.7
69.03424	85.5
71.05005	8.6
73.02901	9.5
75.33476	5.0
79.05467	19.0
81.03413	36.9
81.07066	13.4
83.40799	5.3
85.02897	97.7
90.78675	5.0
91.05466	31.3
93.07043	27.9
93.50459	6.0
95.04980	25.6
97.02881	45.0
98.98451	55.2
99.04449	16.9
103.05458	8.4
105.07024	23.7
107.04948	100.0
107.08588	24.5
109.02874	5.4
109.06504	72.9
111.67220	5.4
115.05459	9.2
117.07021	12.0
119.04919	6.9
119.08601	11.5
121.06526	37.1
121.10120	23.4
127.03934	19.7
131.08513	9.4
133.06487	20.1
137.05962	66.1
137.09618	9.6
144.05710	5.8
145.05016	9.8
145.06537	13.8
147.08069	7.5
149.05949	10.0
149.09622	68.5
157.06444	5.7
160.05191	15.9
167.10693	21.6
175.07561	36.0
186.29642	5.3
187.07600	24.9
191.10835	6.4
212.75963	5.8
270.08908	6.0
293.13907	7.9
311.15091	8.8
329.15829	30.1
351.33328	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	329.1592
Annotation	Rhododendrin
Peak:m/z	Relative Intensity
53.59711	1.5
55.01874	5.4
57.03415	2.3
58.26752	1.5
59.04996	1.6
60.76081	1.6
61.02925	2.3
65.03929	2.7
65.66836	1.4
67.72549	1.4
68.51090	1.4
69.03415	10.2
79.05516	5.1
81.03427	4.4
81.07057	10.0
85.02879	19.4
91.05460	13.6
91.71727	1.9
93.07025	22.8
94.04195	2.0
95.04990	3.1
97.02908	5.6
98.98457	35.6
98.99055	2.5
105.04453	1.8
105.07045	5.3
107.04977	7.6
107.08597	10.0
109.06503	100.0
116.06346	1.7
121.06499	81.9
121.10137	17.5
127.03914	3.9
130.14769	2.1
131.08557	11.9
132.08910	2.9
137.94321	1.8
140.01073	2.6
145.05014	2.0
149.09602	70.5
149.10753	3.5
167.10643	51.8
171.51672	1.7
174.99294	2.1
176.98772	1.9
177.63074	1.8
186.23793	1.9
190.44289	1.6
195.72037	1.8
195.75681	1.6
280.42715	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1592
Annotation	Rhododendrin
Peak:m/z	Relative Intensity
55.01878	2.4
58.32318	1.1
65.03944	1.1
69.03442	3.4
79.05503	2.8
80.88019	1.0
81.07050	7.1
83.05005	2.1
85.02901	6.1
85.06562	5.6
85.53336	1.3
91.05479	10.9
93.07030	18.5
93.07551	1.2
94.04207	4.0
95.04953	2.0
97.02910	1.4
98.98455	35.2
99.28098	1.1
105.07056	2.9
107.04966	3.7
107.08572	15.1
109.06509	100.0
110.56863	1.1
121.06491	27.5
121.07283	1.5
121.10132	22.4
123.08066	1.6
126.82554	1.3
131.08568	7.9
137.05048	1.2
137.05956	6.5
140.01115	3.0
149.09608	24.8
149.10762	1.6
160.05148	1.4
164.07118	2.0
167.10658	53.4
174.99236	1.9
175.07603	2.7
187.07568	1.4
311.12845	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43299	4.2
55.05512	12.4
58.17606	4.1
67.05493	90.4
69.07060	7.2
70.31277	4.5
73.28800	4.2
79.05470	12.7
81.07047	100.0
83.08602	17.1
87.67923	5.1
91.05465	11.2
93.07038	26.8
95.08597	96.7
96.27796	4.9
98.98459	93.7
105.07038	11.7
107.08590	9.2
109.10149	44.8
121.10149	12.8
123.11673	11.8
133.10161	15.2
135.11713	15.6
137.09607	6.7
143.54871	5.0
151.11241	11.5
154.01013	5.1
155.98471	6.0
192.49815	5.7
215.17943	12.1
233.18915	7.0
237.95859	7.4
251.20052	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2473
Annotation	Uvarisesquiterpene A
Peak:m/z	Relative Intensity
55.05285	5.6
55.05506	51.5
57.07067	10.0
57.11338	3.8
63.69374	4.0
66.04638	3.7
66.82247	4.0
67.05492	41.2
69.07056	55.4
71.08620	9.1
79.05483	8.2
81.07045	30.0
83.08595	23.4
84.51061	3.8
91.05471	18.2
93.07066	4.5
95.04974	4.3
95.08595	35.6
97.10181	12.2
103.05499	5.0
105.07007	25.0
105.98517	6.1
107.04960	50.0
109.10150	7.9
115.05445	6.1
117.07019	6.5
119.08556	9.3
119.76872	4.8
121.06477	22.1
131.04926	10.5
131.08560	4.7
133.06493	100.0
135.04456	24.7
145.06480	59.4
147.08037	79.8
149.06006	11.1
157.06491	20.3
159.08018	31.1
161.05971	27.9
161.09644	22.9
171.08058	10.7
173.09663	14.4
175.07535	13.1
179.07030	10.7
185.09576	7.7
199.11240	5.2
311.23682	12.6
315.11890	4.9
329.24701	67.3
346.59756	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	329.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39447	5.1
54.55560	3.6
55.05497	37.9
57.07061	10.0
61.73441	4.4
67.05485	38.8
67.71953	4.6
69.07050	49.8
71.08590	7.4
74.96709	5.0
79.05495	7.4
81.07038	37.9
81.86301	4.4
83.08600	20.0
91.05477	19.1
93.07048	13.0
95.04967	6.5
95.08602	41.8
97.10169	12.4
98.98456	100.0
100.60417	5.0
105.07029	19.7
107.04953	42.1
109.10119	12.0
112.55894	6.0
117.07034	8.6
119.08601	9.2
121.06506	10.1
123.11725	9.4
127.19663	5.7
131.08575	8.2
132.05890	5.9
133.06494	64.7
135.04430	14.9
140.01064	12.0
145.06464	40.9
147.08040	70.2
157.06535	15.0
159.08047	24.6
161.05960	12.6
161.09570	12.4
162.21948	5.3
173.09644	10.5
185.09631	10.3
199.11163	5.8
237.00281	6.4
311.23761	10.5
329.24765	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	329.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02149	6.4
55.05504	57.2
57.03424	14.4
57.07061	32.1
58.26198	5.5
67.05501	84.5
69.07064	95.6
71.08616	19.9
73.53316	7.0
79.05490	49.5
81.07050	99.1
83.08620	77.1
91.05463	8.8
91.71000	18.0
93.07033	65.3
93.96194	9.0
95.08618	58.9
97.06539	25.1
97.10184	42.6
98.98450	100.0
104.14717	7.2
107.08609	45.8
109.10159	33.4
111.11741	11.3
121.10152	78.9
123.11707	18.9
125.09583	8.7
135.08644	7.8
135.11700	65.3
137.13213	12.8
147.51855	6.9
149.13246	24.3
174.99234	12.9
219.21045	71.2
237.22119	50.7
272.41861	9.2
285.11145	10.8
311.25781	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	329.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	66.4
57.03415	13.3
57.07063	35.1
58.72031	6.4
61.44509	6.2
67.05495	58.2
69.07056	76.5
71.04970	9.2
71.08604	20.1
79.05486	46.1
81.07040	76.7
83.08611	55.5
91.53461	7.0
93.07026	51.5
95.08586	52.8
97.06493	22.3
97.10149	46.9
98.98453	100.0
99.63744	8.4
105.26882	7.5
107.08559	37.1
109.10155	28.9
111.08057	11.0
111.11729	9.4
121.10136	80.7
122.44559	7.3
123.11709	17.7
135.11650	49.3
137.13234	13.5
149.13260	14.9
153.12759	8.8
154.96227	8.2
219.21071	53.7
237.22160	46.5
311.25867	36.0
329.22818	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	329.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99194	2.0
53.03933	2.2
55.01881	2.3
55.05509	19.8
57.03435	5.8
57.07071	14.3
62.97015	2.2
65.01343	2.4
67.05495	39.0
69.07054	27.6
71.04993	2.9
71.08619	4.4
75.04417	2.4
79.05498	19.1
81.06600	3.7
81.07047	42.4
83.08617	27.2
85.10163	3.2
91.05503	3.2
93.07027	24.9
95.08594	36.2
97.06527	11.2
97.10159	13.2
98.98462	100.0
103.03951	4.2
107.08578	17.5
109.10123	15.5
111.08093	8.6
111.11697	5.3
121.10138	36.8
123.11709	8.7
125.09597	4.9
129.05493	3.4
135.11656	23.5
135.34026	2.6
137.13246	8.6
140.01059	12.2
149.13300	8.6
160.00600	2.9
163.14734	4.1
174.99249	5.7
176.98932	4.8
219.21078	24.0
237.22125	16.9
255.22939	3.4
268.59946	3.6
277.19839	2.7
283.20563	3.2
311.25528	12.7
322.96204	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	329.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20856	2.2
51.40683	2.5
53.00309	3.6
55.05503	27.6
57.03426	5.1
57.07072	13.9
60.59583	2.3
67.05499	42.7
69.07059	27.6
71.08617	9.2
78.15887	2.8
79.05483	14.4
81.07052	48.9
83.08617	28.5
91.05460	4.0
93.07045	27.1
95.08602	32.3
97.06512	11.6
97.10162	18.8
98.98459	100.0
103.03912	3.1
107.08588	19.1
109.10146	10.4
111.11716	5.7
121.10142	34.8
121.32130	2.6
123.11669	5.6
135.11690	23.2
137.13271	7.9
140.01091	9.7
140.72517	3.3
149.13243	11.2
163.14865	4.3
174.99181	5.9
176.98978	5.7
188.21156	2.8
219.20979	24.4
237.22073	19.8
238.72961	3.1
311.25702	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	329.2684
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
50.75294	3.9
52.19468	4.3
55.05505	66.3
57.03430	38.8
57.07076	44.4
67.05495	62.3
67.05768	4.9
69.07061	100.0
71.08636	27.6
79.05517	19.5
81.07049	85.0
83.04989	5.9
83.08617	77.9
85.10193	9.4
91.05477	11.2
93.07043	27.4
95.08595	70.4
97.06564	15.7
97.10173	50.2
98.98459	73.8
98.99047	5.2
107.08586	25.5
109.10132	27.7
110.36507	4.5
111.08112	15.3
111.11758	7.7
111.50095	4.7
115.07634	10.2
116.61827	5.4
121.10207	17.1
123.11749	14.3
125.09659	10.8
133.10138	6.7
135.11760	21.0
137.13304	7.0
139.11217	9.0
148.20326	5.6
149.13313	10.8
151.11320	6.3
153.12834	6.2
163.14923	9.4
165.62650	6.0
174.99260	7.6
199.71324	5.4
215.17867	7.1
219.21144	12.7
237.22223	13.5
251.20102	7.5
311.25967	12.3
329.26862	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.9354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05233	14.5
54.41103	14.0
56.31828	17.3
70.01769	17.0
84.09255	16.3
86.30177	20.1
91.71678	17.4
98.98515	20.7
103.83838	18.7
108.38505	19.0
131.56818	20.1
138.11032	23.7
157.57703	19.7
222.89915	60.0
229.89743	35.6
234.98039	21.7
240.90829	92.4
245.91481	55.2
248.77328	20.7
252.11702	19.9
263.92532	35.9
270.92380	34.3
287.92413	26.5
305.93774	29.4
306.92044	47.7
329.93329	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0597
Annotation	3' 5'-cyclic AMP
Peak:m/z	Relative Intensity
55.05524	0.5
69.03421	5.6
70.06583	3.3
72.08126	0.7
75.22421	0.5
82.84608	0.6
85.02876	0.9
85.07641	1.4
94.04134	0.5
95.72053	0.5
97.02889	1.5
98.98460	12.1
101.86392	0.6
104.68977	0.6
116.07150	0.7
119.03550	1.6
120.90536	0.7
136.06180	100.0
137.04567	1.0
140.01045	1.6
150.05498	6.7
168.06523	1.7
202.07234	0.7
274.06088	0.6
293.15204	0.6
312.16266	1.1
320.91953	0.7
329.47382	0.6
330.05951	13.6
346.53790	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12983	2.8
55.05500	6.4
56.05029	4.5
56.96553	4.1
60.04533	3.5
70.06584	72.4
72.08147	57.2
73.98094	3.3
74.06081	4.8
80.04998	3.9
83.32038	3.1
84.04491	35.1
84.08118	10.7
85.04040	4.4
86.09691	21.8
89.07156	24.7
90.05567	5.7
95.12683	3.5
96.03532	3.2
98.98466	100.0
106.04958	3.6
107.08538	4.1
107.98647	3.7
110.06006	3.4
112.08719	5.6
115.08662	4.6
116.07076	33.5
121.02821	3.7
130.04962	5.8
138.73671	4.2
140.01059	14.6
142.08646	6.0
166.04903	5.7
176.98836	4.2
183.07652	7.3
183.11320	5.7
187.10753	4.7
196.81012	4.0
200.10364	11.9
239.15172	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	330.2387
Annotation	Leu Val Val
Peak:m/z	Relative Intensity
54.25977	0.6
55.05501	2.7
56.96552	1.2
58.05206	0.7
60.04508	1.2
64.16508	0.8
67.05495	0.9
69.07056	8.7
70.06570	3.5
72.08146	54.2
81.93195	0.8
84.04488	1.7
86.09698	100.0
94.69084	1.0
98.66754	0.8
98.98461	28.2
105.07019	0.9
116.10715	0.8
118.08670	2.1
122.91398	0.8
126.09083	1.0
130.06410	1.0
136.07602	1.5
137.05928	1.3
140.01067	2.2
145.39992	0.9
153.55777	0.9
157.05322	0.8
174.99272	1.8
176.98921	1.2
185.16495	33.8
213.15956	21.1
217.15520	5.0
224.09023	1.0
330.16083	3.0
341.11304	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2386
Annotation	Val Val Ile
Peak:m/z	Relative Intensity
53.03937	0.7
53.20409	0.5
55.05501	6.5
56.05040	0.5
57.05785	1.1
57.26795	0.5
60.04514	0.6
61.76986	0.6
65.43913	0.5
70.06558	0.6
72.08146	100.0
80.34973	0.6
86.09695	9.9
98.98457	8.0
101.37790	0.7
118.06410	0.7
132.10176	1.3
145.62173	0.6
171.14922	23.7
176.99001	0.9
185.16490	3.4
199.14398	12.7
213.16042	1.4
231.17010	3.3
235.48615	0.6
337.30579	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
55.01854	3.5
55.05254	5.3
55.05506	75.6
56.95864	3.5
56.96584	3.6
60.04278	4.3
60.04520	46.3
67.05499	33.5
69.03411	11.5
69.07041	18.9
71.08611	5.3
79.05488	17.4
81.07053	27.3
83.04980	7.3
83.08606	49.6
89.02240	3.5
91.05425	7.9
91.06387	3.2
93.07034	9.4
95.04966	5.9
95.08591	12.9
97.10162	100.0
98.98463	66.0
99.08097	5.3
105.07003	6.8
107.08589	23.7
109.10152	5.7
119.08578	5.5
121.10126	4.1
125.09632	76.4
126.12860	4.2
135.08043	9.0
135.11678	6.6
140.01123	10.8
147.11707	6.0
153.09113	4.3
161.13228	4.1
165.41347	3.9
171.10159	11.0
176.99081	6.0
189.11224	90.3
189.12546	3.2
277.21680	39.1
291.15656	4.5
295.22781	7.7
310.81934	4.3
342.13864	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	330.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92015	0.7
56.04998	0.6
60.04517	100.0
61.31282	0.7
66.27412	0.6
72.04524	0.9
75.67026	0.8
78.93621	0.7
87.49671	0.7
91.71600	1.2
98.98508	1.0
105.09818	0.8
105.38428	0.8
112.01637	0.6
114.82122	0.8
187.77173	0.7
223.46579	0.8
241.82333	0.9
277.51038	0.9
294.24411	3.2
301.86203	0.9
312.25275	1.4
330.26431	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	330.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04517	100.0
62.21412	0.8
65.32576	0.7
67.05480	0.8
81.07094	0.7
87.08295	0.7
98.98504	1.9
102.12965	0.7
110.45196	0.8
121.02126	0.8
130.07616	0.7
152.78429	0.7
160.02034	0.8
207.30049	0.8
289.10858	0.8
294.24335	2.1
312.25391	1.2
325.96164	0.8
330.26495	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	330.2636
Annotation	Morusimic acid B
Peak:m/z	Relative Intensity
52.34122	4.6
52.44916	4.5
53.03941	6.3
53.61061	4.3
54.00742	5.5
55.05500	23.2
56.05019	10.7
56.53263	4.9
57.07062	8.0
58.07375	6.2
60.04517	43.6
61.97969	6.3
67.05493	59.6
68.05009	8.9
69.03429	7.6
69.07050	22.5
71.01335	10.9
71.04961	10.2
72.04513	9.8
76.30739	5.6
79.05479	27.9
81.03409	100.0
81.07053	47.3
82.06553	6.6
83.08596	10.8
84.04486	10.7
85.06485	6.5
86.07144	6.2
91.05473	29.7
93.07031	31.3
94.06564	7.4
95.04965	26.1
95.08605	49.9
96.04472	34.3
97.02882	12.3
97.10165	7.1
98.98450	41.6
105.07041	14.5
107.04951	22.4
107.08614	18.3
109.10155	26.7
110.06043	24.1
117.07016	7.5
118.54948	6.0
119.08540	11.5
121.06521	18.3
121.10146	26.9
122.94470	5.5
123.11706	6.1
123.19464	6.7
131.08568	10.6
133.10106	7.7
135.11693	12.1
138.17561	5.8
149.09534	7.5
171.11771	7.8
176.99095	8.1
200.72131	6.7
249.04694	6.4
259.20532	11.9
259.42603	7.0
276.23215	10.6
277.21649	38.1
294.24225	88.1
295.22501	14.8
312.25305	65.5
330.26471	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	330.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35209	2.1
60.04515	3.8
62.33262	2.1
66.06621	2.1
69.29544	2.3
94.06579	4.4
97.01576	2.2
98.98412	2.8
105.07089	2.5
106.06547	100.0
119.62957	2.3
178.25253	2.7
256.09317	2.5
295.89041	2.8
320.03671	3.1
330.31381	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67898	1.0
53.36166	1.1
55.05494	3.7
57.07068	2.4
59.19439	1.2
60.04512	2.1
69.04974	1.2
69.07066	3.0
79.05494	2.2
94.06578	5.3
95.04951	1.3
96.08808	1.2
98.98438	2.1
102.39507	1.4
106.06550	100.0
120.08109	2.8
158.44354	1.3
165.23351	1.6
165.85684	1.4
167.91817	1.2
178.12825	1.3
288.86362	1.8
330.31439	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40294	0.8
55.05494	2.7
57.07065	1.9
58.68966	0.9
69.07042	3.0
75.84560	0.9
79.05469	1.6
81.94750	1.0
87.24323	1.0
91.71005	1.1
94.06561	4.9
95.04948	0.9
106.06547	100.0
107.07373	4.8
120.08104	9.5
134.09654	1.9
190.15956	1.1
205.01564	1.1
311.34415	1.1
330.31522	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	331.0809
Annotation	Dillenetin
Peak:m/z	Relative Intensity
54.06249	1.1
55.55774	1.2
56.96546	1.2
58.24044	1.6
60.04504	1.4
67.17394	1.4
70.37999	1.3
70.81368	1.2
84.35676	1.3
97.99229	1.3
98.98447	19.1
135.15228	1.4
137.05959	3.2
137.37292	1.4
140.01057	2.9
153.01816	1.7
178.29262	1.5
182.91154	1.6
185.69145	1.7
232.54845	1.5
242.05750	6.2
258.05206	4.7
270.05157	16.9
286.04712	3.4
287.05457	9.6
301.03488	3.0
302.04181	2.9
315.04965	63.9
316.05667	17.8
331.08078	100.0
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	(+)-Bisdechlorogeodin
Peak:m/z	Relative Intensity
56.81685	4.9
65.03932	4.9
68.99783	12.5
74.74128	4.2
85.02877	8.6
85.28807	4.8
91.05482	9.7
98.98463	83.1
101.37486	5.4
111.00809	17.8
119.04946	5.5
123.04425	15.1
131.04927	6.4
131.08499	6.1
137.05988	10.3
140.01151	7.5
149.02333	70.5
151.04013	6.2
153.01862	24.5
153.05469	16.3
158.03595	5.9
159.04399	7.9
161.06006	5.6
169.05019	11.9
176.99008	7.7
186.03090	7.6
213.05617	6.6
214.02582	7.8
215.07124	8.0
219.06551	12.0
221.08044	9.5
228.04198	9.3
232.03564	12.3
241.04918	11.6
242.05687	6.1
243.06548	12.5
247.05974	100.0
256.03711	11.6
271.06024	19.3
275.09207	28.2
299.05469	14.8
300.20071	6.8
303.08615	68.0
319.65643	6.2
331.08191	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0811
Annotation	Dillenetin
Peak:m/z	Relative Intensity
51.75795	1.3
55.01853	1.2
56.99268	1.1
61.91637	1.2
67.05485	5.8
69.07076	2.0
70.95394	1.2
71.92199	1.2
73.37927	1.2
79.05467	3.0
80.72890	1.3
81.07050	6.6
85.06504	1.2
85.10141	1.3
91.05480	3.2
91.71139	1.8
93.07027	3.4
95.08598	3.3
98.98463	23.9
105.07047	2.1
107.08595	2.7
109.10124	1.7
117.99564	1.4
121.10136	3.2
124.59145	1.4
129.67007	1.5
131.08478	1.6
133.86757	1.3
135.11734	2.3
137.05968	1.6
137.22668	1.3
140.01015	2.2
147.11711	1.5
153.01836	2.3
211.07582	2.9
214.06372	1.5
242.05711	4.2
258.05063	4.6
270.05185	13.7
273.03683	2.5
277.21674	2.6
286.04724	3.0
287.05432	8.6
289.14011	2.2
299.09073	7.6
301.03421	2.4
302.04327	3.4
315.04929	48.2
316.05786	8.0
331.08063	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1023
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
50.38256	3.7
55.01850	8.4
55.05503	4.8
56.05031	6.8
56.96570	4.7
57.25856	3.6
60.04504	4.5
67.01852	6.6
70.06584	41.5
71.06940	5.7
71.36016	4.4
72.08154	11.4
74.06070	6.0
81.07040	5.7
83.04958	6.6
84.04492	16.0
84.08131	7.6
85.02898	37.6
86.09696	51.1
87.10008	7.6
95.04973	10.9
97.02866	7.3
98.98466	93.6
101.07112	7.8
103.03962	10.3
105.07009	8.2
107.04948	11.8
109.02853	13.1
116.07102	27.3
117.88191	4.5
118.77657	5.2
119.04920	6.3
121.02883	6.9
123.04462	13.7
127.03208	9.3
127.04027	7.7
133.06541	7.4
134.06830	5.6
137.06003	5.7
139.03885	11.7
140.01015	6.8
143.11754	5.5
145.06493	6.2
147.04405	18.6
151.03893	39.9
161.05998	5.9
163.03870	31.3
165.05490	28.3
169.04971	34.3
173.05923	4.6
175.03931	17.8
181.04932	80.0
187.03894	11.5
187.14420	15.5
189.05449	11.1
193.04950	100.0
199.18011	6.1
205.04958	11.8
207.02800	6.3
207.06537	29.1
211.05983	71.1
215.61826	5.4
217.05070	6.5
229.04965	15.4
231.06624	7.4
235.05995	73.2
241.04967	7.0
247.05986	86.9
259.05948	45.8
265.07144	9.3
277.06912	22.3
295.08206	13.3
351.11606	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	331.1172
Annotation	Ficusal
Peak:m/z	Relative Intensity
52.27343	3.8
59.34071	3.7
63.94540	3.7
67.73893	4.8
73.80560	4.2
81.07085	8.4
91.05492	10.9
95.04994	11.1
98.98460	17.3
103.05500	10.7
109.06538	13.7
122.03684	10.7
126.61839	5.4
131.04964	12.9
133.06587	6.3
137.05978	100.0
137.06931	8.5
146.03691	17.8
149.05989	9.4
151.03969	6.1
153.06978	24.6
161.05974	62.4
161.07143	6.0
163.07642	14.0
165.06993	69.7
181.06456	37.9
182.07355	24.3
189.05536	9.7
193.06467	41.6
194.07278	8.6
209.06015	6.8
210.06746	54.2
213.09109	11.0
213.73163	5.5
220.05406	7.0
221.05913	46.5
222.06738	9.1
225.09074	72.9
235.07416	6.4
238.06329	15.1
239.07066	9.6
241.08720	8.3
253.08594	93.4
253.10966	6.5
254.09323	11.8
264.00476	5.3
265.54105	5.2
269.08310	7.2
270.08945	12.5
281.08231	16.7
281.23126	6.6
285.11176	53.8
301.10764	12.7
313.10623	90.3
313.13873	7.6
331.11758	15.4
333.49115	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	331.1174
Annotation	2'-Hydroxymatteucinol
Peak:m/z	Relative Intensity
50.37680	2.0
53.63599	1.6
66.96631	1.8
67.05497	1.9
79.05513	7.6
81.07084	6.1
83.82172	2.0
85.02941	3.5
85.11135	2.5
86.87360	1.8
91.05500	7.9
91.71007	2.7
94.04197	4.2
95.04979	4.6
95.71674	2.1
98.97917	3.3
98.98457	17.2
103.05498	6.6
107.04988	7.4
107.08587	4.0
109.06538	4.0
122.03728	5.3
123.04449	3.6
125.06033	5.5
131.04909	10.2
133.10104	2.2
135.04459	4.4
137.05974	78.6
138.03191	2.1
140.01173	2.1
143.66731	2.2
151.11229	3.8
153.05478	3.3
163.03947	3.3
163.07549	14.5
166.02675	5.3
177.05521	2.6
181.04945	100.0
184.03540	2.4
191.08072	2.3
207.06621	5.9
313.10608	17.1
331.11945	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	331.1174
Annotation	Ficusal
Peak:m/z	Relative Intensity
56.96544	4.9
57.07043	4.8
64.00883	4.7
67.05491	4.2
76.15606	4.0
79.05448	5.9
79.33354	3.8
81.07048	9.0
91.71606	6.8
92.46985	4.1
94.04132	4.4
95.04980	7.9
98.98463	47.5
103.05449	17.0
105.07015	6.5
107.90797	4.2
108.48044	5.1
122.03621	10.8
131.04933	21.5
134.22105	4.7
137.05963	92.0
140.97215	4.7
146.03575	5.2
151.03847	8.9
151.07538	10.5
161.05975	26.8
163.07538	18.4
165.07016	16.9
182.07259	7.8
189.05530	9.6
193.06529	13.8
207.08018	6.5
210.06754	18.0
215.65349	5.2
221.06029	20.2
225.09018	23.8
238.06262	13.8
239.07111	5.6
253.08488	44.3
263.07074	6.0
281.08066	25.3
285.08197	6.3
285.11072	36.4
313.10663	100.0
316.09006	7.7
331.11627	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	331.1287
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
67.05510	7.3
77.55374	2.8
79.05473	3.0
81.07053	4.6
94.06560	6.8
95.08549	3.6
98.98448	32.2
106.06564	6.3
107.08566	2.7
108.04504	7.3
110.06040	3.5
122.06036	4.8
129.27490	3.1
134.06007	3.7
136.03934	4.2
137.06017	4.0
140.01021	5.1
162.05515	10.4
176.06992	3.7
189.06606	14.0
201.10231	7.3
203.08076	4.8
214.07320	3.8
215.08046	15.5
215.11717	7.3
225.10101	3.8
229.09747	15.0
241.09621	4.6
241.19409	4.4
243.07719	4.9
243.11308	6.2
257.09094	9.7
257.12857	6.7
267.11322	5.4
271.10809	10.4
273.87411	4.1
275.14087	5.1
285.12390	13.0
295.10754	4.2
313.11731	19.7
331.12857	100.0
333.24390	3.7
333.58353	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58873	2.6
78.62980	2.9
80.26102	3.0
98.98457	29.2
104.32709	3.0
105.34009	3.8
138.06737	3.5
168.53064	3.3
238.33624	3.7
310.12717	4.4
331.13605	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66214	4.8
81.07050	6.6
85.43206	4.8
98.98460	74.9
107.46577	4.6
108.08686	4.0
119.17976	4.9
123.27119	4.8
137.06050	4.4
151.40909	4.8
176.98988	6.6
221.10770	4.6
237.05295	6.2
298.78854	4.9
308.44757	5.1
327.31479	5.4
331.13593	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70468	2.5
56.60164	2.8
58.21811	2.7
79.09962	3.8
81.07028	3.3
85.02883	5.6
94.94353	3.6
98.98462	56.8
131.04932	8.2
137.05954	40.7
138.06407	4.2
140.00159	4.7
143.51390	3.3
152.00240	4.3
158.26984	3.2
163.07533	18.6
169.08379	10.3
181.04964	10.2
185.04224	5.2
187.85922	3.6
203.05267	12.2
237.21272	3.5
247.87779	4.3
313.10376	4.2
331.13608	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31582	4.8
51.52640	4.7
53.82196	4.8
54.38752	5.5
57.85658	4.8
72.08154	5.6
72.33489	5.6
81.07099	6.1
84.04572	5.1
86.09730	17.4
87.96043	5.5
91.05510	26.3
96.31812	6.2
98.98487	31.5
102.81577	5.8
107.04966	10.9
119.04978	8.5
122.51556	6.7
128.06306	7.1
129.07074	5.8
134.29890	6.2
137.05997	29.0
140.01088	7.4
149.06084	9.0
151.07506	29.6
163.07600	13.0
183.75340	6.1
189.09219	11.5
195.08124	10.1
226.20943	6.3
227.10649	12.4
255.10368	11.4
256.00873	6.6
287.12915	13.8
300.02969	11.6
331.04678	11.6
331.13666	100.0
331.17480	10.1
333.11151	6.8
353.60165	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	331.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77406	0.8
57.03425	0.8
57.34523	0.7
61.02919	1.7
68.46049	0.9
69.03416	4.0
71.08683	0.7
80.01346	0.7
81.03394	1.9
85.02892	20.5
91.05487	0.8
95.04974	1.6
97.02885	2.8
98.98458	11.3
102.37980	0.8
107.04945	100.0
108.05264	1.1
109.02885	1.6
112.83943	0.8
127.03934	2.7
129.28549	0.9
131.04945	0.9
133.06480	1.6
140.01106	1.9
144.05756	1.1
145.04929	2.0
145.06459	2.0
149.05963	0.9
151.07521	2.8
151.71190	0.9
152.04327	1.3
157.15448	0.9
171.08107	1.2
173.05960	5.7
173.09087	1.0
199.07503	1.4
217.08551	1.0
222.44865	0.9
259.09787	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1385
Annotation	(1'S,2'R)-1'-(4-Hydroxyphenyl)propane-1',2'-diol 2'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03435	0.8
61.02906	1.8
65.62043	0.8
69.03425	5.0
74.38193	0.9
79.05505	1.1
81.03419	1.1
85.02894	19.3
85.03358	1.2
91.03921	0.9
97.02876	4.6
98.98455	15.5
98.99044	1.1
99.04445	1.0
102.68289	0.9
103.03972	1.3
103.95882	0.9
106.60871	1.0
107.04945	100.0
109.02868	1.6
115.20567	0.9
118.79823	0.9
121.06537	1.4
127.03968	3.8
131.04974	0.9
133.06581	2.6
139.05943	0.9
140.01163	1.0
141.06996	1.6
145.04968	1.8
145.06528	2.3
149.06017	1.5
151.07553	2.5
153.83134	1.0
157.06517	1.3
158.24919	1.0
169.06520	2.8
171.08096	2.1
173.06023	4.8
199.04012	1.3
199.07605	1.4
216.66301	0.9
217.08701	1.3
233.08012	1.1
337.25574	1.0
341.79218	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	331.1537
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
50.42797	1.7
52.36632	1.7
55.01871	1.7
55.16072	1.6
55.49007	2.1
56.76680	1.8
56.96548	2.3
71.61462	1.8
79.05490	3.8
89.03923	2.0
91.05464	36.0
94.04166	4.4
95.04955	6.9
98.98444	14.9
103.05460	4.4
105.06973	4.7
107.04958	7.4
109.06490	4.6
115.05434	2.6
117.06990	2.6
119.04925	21.7
120.13026	2.3
121.06508	9.0
122.03631	11.1
128.06200	6.8
129.06981	19.3
131.04930	7.5
135.04379	2.5
135.08015	4.8
137.05965	89.5
145.06467	3.3
146.03665	2.5
149.05942	14.5
151.03928	3.9
151.07526	100.0
152.06186	5.1
157.06461	12.6
161.05978	12.4
163.07489	20.4
165.06961	14.2
165.09077	5.1
166.07797	2.4
167.08542	20.3
169.06453	2.5
174.06746	7.8
175.07584	5.0
177.06917	4.0
177.09126	2.3
178.07794	7.1
181.06499	10.2
181.10066	2.8
182.07257	3.7
189.09076	30.0
193.06479	8.7
193.10124	6.6
195.08025	28.0
197.05962	4.6
197.09709	2.4
203.08621	3.5
207.10135	3.8
209.06023	2.7
209.09685	3.2
210.06657	10.9
212.08267	4.6
221.06026	7.8
221.09557	10.2
223.07524	7.6
225.09109	9.5
227.10590	22.6
231.07884	3.0
238.06229	5.0
239.06975	3.2
249.09036	4.4
253.08536	12.2
253.12134	17.2
255.10075	25.1
267.10001	4.7
269.07974	3.5
281.11591	3.4
285.11136	15.9
287.12729	34.6
313.14328	9.4
331.15546	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Dihydroconiferyl dihydro-p-coumarate
Peak:m/z	Relative Intensity
50.00279	3.3
51.40155	3.1
56.96551	5.8
57.94892	3.6
61.24715	3.3
67.05499	5.8
69.03423	6.5
71.79711	3.6
72.55898	3.9
80.80757	3.6
81.07050	37.7
91.05467	39.4
95.04954	9.7
95.08582	16.0
97.02888	8.6
98.97552	6.3
98.98463	40.9
103.05461	6.6
103.45618	3.7
107.04948	9.6
109.06503	6.2
117.06969	4.9
117.15268	3.8
119.04244	4.8
119.04897	22.8
121.06516	7.2
122.03605	8.7
128.06264	5.3
129.07002	22.9
131.04903	11.0
132.26482	4.2
132.52623	4.1
134.00771	4.3
135.08073	6.9
136.02556	4.1
137.05972	100.0
138.38216	4.0
140.29965	4.0
145.06505	7.6
149.05974	15.9
151.07535	95.1
152.06143	5.1
157.06519	12.8
161.05991	12.7
161.09668	5.6
163.07507	29.3
165.06931	8.8
165.09082	6.0
167.08572	19.0
174.06792	7.7
178.07837	8.1
181.06516	7.2
182.07289	6.4
189.09114	29.6
193.06532	6.4
194.07076	4.9
195.08005	28.6
197.05847	6.7
206.93881	4.5
209.09674	6.7
210.06761	11.8
219.01819	5.4
221.06018	5.5
221.09601	8.9
223.07536	12.7
225.09109	7.0
227.10733	20.9
238.06108	5.3
253.08522	14.9
253.12225	10.1
255.10165	17.9
267.10168	5.8
281.11887	5.8
285.11224	13.7
287.12744	35.3
313.14270	13.4
331.15436	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	331.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50989	1.5
66.37871	1.5
67.05496	1.7
75.51995	1.7
81.07037	2.6
82.95463	1.7
85.02882	2.7
85.71700	1.7
91.05479	1.6
93.07008	1.7
96.31382	1.5
98.98463	22.3
104.60744	1.8
106.53075	1.8
109.17447	1.9
119.04916	1.7
137.05948	2.1
151.07565	3.0
183.42131	1.7
216.52055	1.9
250.68668	2.9
331.17255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1748
Annotation	8-Epiiridodial glucoside
Peak:m/z	Relative Intensity
53.58151	1.2
54.32135	1.3
55.92429	1.5
61.02919	1.6
62.99712	1.4
67.05486	3.5
69.03412	4.3
70.44940	1.4
79.05492	1.6
81.07050	6.9
81.22179	1.5
85.02895	18.5
85.45167	1.7
93.07003	1.6
95.08585	7.5
97.02890	6.3
98.98460	2.2
101.94558	1.7
105.07034	2.5
107.08582	3.6
109.06533	4.4
109.10143	15.1
121.10130	51.2
121.53468	1.7
123.08057	9.2
123.11671	10.2
125.09626	4.8
127.03912	3.5
133.10172	2.2
145.04984	1.9
151.11165	16.7
164.15588	1.7
169.12225	100.0
198.91241	1.7
225.32425	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1747
Annotation	8-Epiiridodial glucoside
Peak:m/z	Relative Intensity
55.01833	3.9
57.07068	5.4
57.98282	2.6
59.04991	4.3
60.25367	2.6
61.02924	3.9
61.30728	2.3
63.01337	2.8
67.05497	20.9
69.03404	11.0
69.07066	5.8
71.04966	6.4
73.94591	2.5
79.05470	6.7
79.68924	3.4
81.03402	5.7
81.07042	45.0
85.02904	43.9
85.06552	3.5
91.05463	10.7
93.07035	8.2
95.04976	4.9
95.08592	5.2
97.02891	10.2
98.98456	23.0
105.07041	9.1
107.04986	3.2
107.08585	33.2
109.02846	4.7
109.10158	12.5
114.00966	3.3
121.10106	4.4
123.11685	35.0
125.09653	7.1
127.03937	3.9
130.10683	2.9
133.10121	13.4
133.66823	3.0
137.06007	4.3
145.04932	4.3
151.11153	17.7
169.12233	100.0
343.72873	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	8.7
56.05040	10.9
58.06609	10.2
61.02940	4.1
61.11570	2.1
66.86933	2.6
67.05505	4.1
68.08366	2.3
69.03417	2.6
69.07042	2.5
69.08186	2.2
70.06580	12.7
71.95544	2.0
72.08139	28.2
74.06057	2.3
81.07052	5.4
83.08609	14.8
84.04493	34.5
84.08132	100.0
85.02924	4.6
86.09696	63.9
95.04984	3.6
98.98455	46.3
98.99032	2.8
101.07188	10.6
107.04954	3.0
111.08127	4.6
112.11240	51.7
115.08702	3.4
128.10767	4.2
129.10233	81.4
130.05003	39.3
130.05853	4.0
140.01106	5.3
141.31245	2.9
147.07628	56.6
147.08687	3.5
152.07130	6.0
155.15405	54.9
155.16536	3.6
156.10312	8.7
157.13351	15.9
161.12854	2.9
167.08218	4.4
185.12971	5.3
200.13998	7.7
211.14484	4.5
215.10698	3.2
250.40591	2.9
252.69099	2.8
270.13470	6.6
288.14417	16.0
295.16489	15.8
313.17630	19.7
331.15222	3.3
331.19250	12.8
331.23019	14.1
332.13455	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	331.1901
Annotation	Citlalitrione
Peak:m/z	Relative Intensity
55.18995	6.4
57.07066	60.7
69.07031	11.6
71.08611	23.1
71.28506	7.6
74.54472	8.4
81.03395	21.8
81.07035	14.0
85.06533	18.0
85.10189	8.8
85.50755	6.8
94.45631	7.2
95.08630	14.9
98.98449	95.4
105.07046	10.7
109.10118	8.9
131.08502	8.8
140.01132	10.2
157.95558	10.3
232.05176	8.9
313.17957	10.9
313.27240	11.5
331.18994	100.0
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	3,4,3',4'-Tetrahydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl
Peak:m/z	Relative Intensity
53.57157	6.1
53.98674	7.2
57.07069	38.6
59.16186	6.8
66.29308	6.8
66.56657	7.4
69.07040	14.0
78.70795	7.4
81.06992	8.4
85.06546	13.3
85.25223	7.1
88.07590	10.2
91.05460	8.2
94.49990	7.0
95.25468	9.1
97.77995	7.3
98.98461	72.8
100.38992	7.1
105.07021	7.9
122.55016	7.3
140.01089	10.3
184.12053	8.7
203.85750	9.1
208.24413	8.6
229.12277	11.1
242.46866	10.0
330.33664	8.9
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	331.1902
Annotation	8alpha-Isovaleryloxygazaniolide
Peak:m/z	Relative Intensity
53.00325	6.5
53.03945	8.5
55.17742	3.9
57.07069	93.6
61.28414	3.7
67.05508	9.7
67.57359	4.7
69.07077	12.1
70.06591	19.7
72.82661	4.2
78.15783	4.7
81.03430	7.1
81.07064	4.8
84.32809	4.9
85.06556	24.3
88.07609	27.7
91.05463	7.0
91.71658	5.7
93.63921	5.6
95.05005	8.7
95.08586	5.5
96.80856	4.5
98.98454	32.2
101.39728	5.1
102.70171	5.4
105.07056	11.0
106.08700	11.5
107.08646	4.8
131.08577	8.0
146.25665	6.0
173.09657	6.0
183.11780	6.0
185.95032	5.9
201.12677	31.4
229.12230	13.6
247.13367	6.2
285.18588	8.4
330.33664	63.8
331.18991	100.0
331.22525	11.3
331.34039	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	331.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.0
56.05015	2.9
56.76476	0.8
56.96547	1.1
58.06578	1.0
63.18797	0.9
65.44163	0.9
67.05489	1.4
69.03433	1.5
69.07063	1.3
70.06576	3.8
70.10506	0.9
72.08146	24.7
81.03363	1.2
82.06559	1.3
84.04498	9.3
84.08133	100.0
85.02959	1.2
85.06527	1.2
86.09696	26.8
92.20196	1.1
98.98451	15.4
101.07165	1.2
101.10772	3.7
112.11268	3.0
116.07103	2.5
118.41358	1.0
129.10236	59.6
130.04988	11.3
136.06187	7.9
137.06534	3.8
143.11789	3.4
144.10184	4.2
147.07623	13.5
147.11159	1.1
155.11732	1.4
155.15388	2.1
156.10202	2.1
157.13351	4.3
161.12834	3.7
171.14952	2.6
197.16542	1.1
199.14388	2.6
200.13889	5.0
224.17577	1.7
242.18703	1.9
260.19720	2.0
313.17722	1.2
331.06268	1.6
331.23349	16.4
332.13287	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2478
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
52.31959	5.7
55.01859	10.0
55.05503	41.7
56.96556	6.4
57.03412	6.0
60.04505	9.2
63.06164	4.5
65.63501	5.3
67.05493	63.5
69.07059	64.9
71.04960	7.4
72.08147	7.3
76.31955	5.3
77.20280	5.7
79.05482	52.1
81.07040	77.1
83.04958	12.9
83.08633	28.3
85.06544	7.2
91.05475	26.4
93.07034	60.9
95.04973	9.7
95.08605	55.2
97.06544	16.6
97.10149	34.5
98.98458	100.0
102.69269	5.6
105.07038	16.1
107.08593	37.9
109.10143	30.5
111.08057	7.6
117.07029	7.2
119.08559	16.4
120.57076	5.2
121.10114	44.6
123.08097	28.0
125.09644	15.4
128.38420	6.2
133.10162	14.1
135.11693	25.8
137.09636	15.9
139.11168	21.3
140.01047	8.9
147.11693	7.0
149.13229	11.5
153.12756	17.8
209.97639	5.8
241.19446	10.1
249.22134	11.8
250.96211	6.4
252.99976	7.7
259.20587	17.0
277.21555	72.2
295.22638	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	331.2477
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
55.05504	54.3
55.27156	4.6
57.07078	13.9
60.43868	4.8
65.32872	4.7
66.03097	5.2
67.05497	66.9
69.07059	100.0
69.07409	5.6
77.93570	5.9
79.05512	19.2
81.07046	78.9
81.07471	5.7
83.04989	5.6
83.08613	61.7
85.06590	8.2
91.05499	16.8
93.07032	34.1
95.08609	66.9
97.06557	17.3
97.10163	63.5
98.98488	21.0
99.08122	8.9
105.07076	15.6
107.08578	11.7
109.10152	34.4
109.95776	6.6
111.08206	5.6
111.11770	23.6
119.08640	20.0
121.10126	28.7
123.11734	16.2
125.09694	5.6
133.10184	21.0
135.11723	28.7
137.13208	6.1
139.11230	7.4
147.11748	17.7
151.11188	7.1
151.14880	7.2
153.12839	9.0
161.13300	20.1
179.14354	6.1
191.18053	7.6
193.15941	7.0
217.19475	47.0
235.20537	36.2
253.21664	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2841
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
53.00299	2.0
55.05509	10.1
55.05709	1.4
57.03416	7.7
57.07069	100.0
60.23780	1.5
66.15982	2.0
67.05494	25.7
69.07054	20.4
70.61392	1.9
71.03575	1.8
71.08246	4.1
71.08621	65.7
74.53896	2.0
75.04447	1.8
79.05480	1.9
81.07054	33.4
81.07524	2.5
83.08610	29.5
85.06525	1.8
85.10168	35.0
89.06051	2.7
95.08600	54.6
97.10164	12.3
98.98451	6.4
99.11720	2.9
109.06325	1.7
109.10145	26.5
109.88230	1.9
111.11692	3.7
123.11699	11.6
137.13235	4.1
231.59068	2.2
239.23698	15.3
257.24582	4.1
313.27319	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	331.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88258	2.3
55.05505	14.6
56.73938	2.2
57.03420	4.4
57.07070	100.0
67.05491	22.1
69.07054	13.1
70.06550	3.0
71.08621	56.5
75.04459	3.0
78.70593	2.3
81.07047	28.2
83.08610	21.0
84.93954	3.0
85.10172	28.6
88.07636	5.8
95.08601	46.9
97.10158	9.7
98.98450	4.7
107.99755	2.3
109.10162	20.1
123.11716	9.6
126.71276	2.7
137.13272	5.7
145.72986	2.8
194.82603	3.1
239.23529	13.8
260.58337	2.9
288.08652	2.7
298.27338	4.0
313.27341	37.5
330.33557	4.4
331.33957	16.0
342.41446	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	331.284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56873	2.7
55.05493	13.6
55.37497	3.0
57.03426	7.3
57.06795	6.2
57.07067	100.0
58.35779	3.2
60.03878	2.8
67.05493	29.0
68.32300	3.2
69.07056	27.6
71.08624	79.1
78.72821	3.3
79.32468	3.5
81.07044	39.5
83.08604	25.0
85.10177	35.0
95.08597	60.3
97.10159	15.5
98.98453	11.5
109.10158	26.6
109.51458	4.0
123.11703	11.3
136.10815	3.9
137.13132	5.0
145.50450	4.1
163.30533	3.5
239.23679	17.6
298.27966	4.2
307.34860	5.8
313.27380	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	332.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12236	3.2
54.04656	3.2
55.02615	3.7
56.05016	4.8
70.06588	8.4
70.07445	3.4
72.08141	35.6
74.06063	12.8
84.04491	4.5
84.08157	7.3
84.32071	3.8
86.09704	29.4
87.10035	4.2
91.05461	10.6
95.04966	7.5
98.97660	3.8
98.98441	8.3
104.48573	4.6
107.04973	10.7
118.06553	20.1
119.07327	100.0
120.08150	5.0
120.83232	3.7
129.10286	6.9
173.12880	6.4
195.08031	9.3
199.07544	26.1
201.12340	6.9
220.03819	4.9
223.07516	40.0
225.09129	11.9
227.07025	50.9
240.10175	73.9
241.08549	9.6
251.07072	11.5
269.08069	38.1
273.07623	13.5
286.10703	92.3
315.08612	32.3
332.11319	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	332.1337
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
50.44798	2.7
57.48600	2.7
57.82555	3.2
59.28804	2.9
69.03419	8.1
70.06557	2.5
70.44163	2.5
72.08141	2.9
78.76488	2.9
81.03391	3.2
85.02864	8.1
87.04443	3.5
88.93390	3.2
89.06606	3.2
97.02890	3.5
106.06516	4.0
108.08108	100.0
124.07581	21.0
134.05974	16.2
136.07620	10.3
152.07066	76.2
154.08614	4.0
170.08141	9.6
176.48454	3.4
192.00327	3.5
241.24542	3.6
274.11771	4.6
314.12372	26.4
317.11496	3.7
317.46848	4.3
332.13382	44.6
338.47946	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75768	3.1
55.01860	4.0
61.02904	11.8
69.03418	24.6
71.34337	3.2
79.92802	3.4
81.03398	4.5
83.52871	3.4
85.02893	100.0
86.09681	3.8
97.02881	12.3
98.98464	14.6
101.76638	3.5
107.04948	18.3
117.92191	4.1
122.03681	4.5
127.03880	24.7
137.05975	88.9
145.04938	20.3
163.06033	16.5
180.08679	16.2
196.02934	4.2
201.12271	4.1
204.08722	6.2
255.53418	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	332.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01769	1.9
54.30779	1.9
59.04993	4.4
59.38882	1.9
68.97884	2.4
70.01504	2.5
74.91289	2.4
75.28030	2.2
79.54694	2.2
85.02895	7.6
91.05463	4.5
97.02932	2.9
98.98441	3.6
105.06955	2.9
107.04919	5.3
117.07009	8.4
121.06485	2.5
121.11270	2.8
131.04944	2.7
133.06464	3.4
135.04379	6.0
135.08038	8.2
137.02364	3.2
144.05713	9.2
145.06438	3.3
145.89371	3.0
161.05980	28.7
173.09526	3.5
189.09073	6.0
201.09114	7.5
203.07007	93.7
221.08089	100.0
242.73434	2.9
249.11256	4.6
303.62155	2.7
333.32092	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	332.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04755	1.4
57.03418	3.5
58.97426	1.4
59.47486	1.4
60.23863	1.5
61.02929	2.2
69.03415	7.2
79.05480	2.5
80.11777	2.1
81.03413	3.7
84.36996	1.6
85.02895	35.5
90.29888	1.6
97.02882	6.6
97.96069	1.7
98.98453	3.0
105.07037	10.3
105.07622	1.6
109.02858	1.9
127.03932	5.1
133.84067	2.1
135.08046	100.0
145.04948	6.3
169.12178	2.0
202.17448	2.2
229.42528	1.8
287.16586	1.9
333.06049	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	7.5
56.05030	2.3
56.96558	4.1
60.04516	2.7
70.06573	5.6
72.08147	100.0
79.05447	2.7
82.06579	3.3
84.04494	45.2
84.08129	28.6
85.02894	5.6
86.09699	54.6
88.03968	6.1
96.08118	3.6
98.97627	3.0
98.98470	10.6
102.05542	61.3
103.49794	2.5
104.07096	10.6
110.06041	6.6
118.08600	3.3
127.08676	7.3
128.07059	3.4
129.10199	3.2
132.10194	18.8
142.08638	8.4
155.08113	14.1
160.10822	3.7
173.09189	43.7
183.11330	4.8
187.10751	39.2
194.38185	2.5
201.08694	31.3
201.12271	6.0
215.10268	13.6
233.11371	5.1
277.58109	2.9
285.73398	3.4
291.21829	2.9
332.18005	4.3
332.25443	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2181
Annotation	Ser Leu Leu
Peak:m/z	Relative Intensity
50.06919	1.3
52.28199	1.3
56.96551	3.4
57.07079	1.4
57.97755	1.4
60.04519	62.6
61.80479	1.5
62.21057	1.4
64.92593	1.4
67.05489	2.1
69.07063	8.2
70.02962	2.7
70.06580	3.9
84.08141	2.6
85.02897	2.4
86.09698	100.0
87.05590	12.7
92.25527	2.0
98.98472	7.4
105.06622	3.0
106.29019	1.8
120.08118	2.1
128.10715	12.8
132.10233	5.3
148.24446	1.9
169.10269	1.9
173.12851	89.3
178.14642	1.7
201.12372	21.7
211.68889	1.8
218.49272	1.9
240.72301	1.8
271.62000	2.1
296.12033	2.8
333.06204	4.1
343.47015	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	332.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39898	1.2
59.42835	1.4
60.04234	2.6
60.04517	33.9
63.50040	1.5
70.02935	2.1
86.09698	100.0
87.05583	14.5
92.50344	1.7
98.98460	2.5
128.10707	7.1
132.10226	5.4
173.12843	83.4
201.12341	23.5
207.48947	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	332.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	6.7
55.25180	2.0
56.05028	14.2
58.06587	9.5
59.46392	2.0
69.07059	6.7
70.06583	4.2
72.08147	70.5
74.06069	54.4
78.95945	2.4
81.07061	2.8
84.04494	13.7
86.09696	63.1
87.86804	2.7
98.98466	3.5
101.07127	30.8
101.20289	2.3
110.09678	8.1
112.11251	2.7
126.89967	3.3
128.10713	17.3
129.10240	8.2
132.10222	2.7
138.09105	3.4
142.12267	5.5
146.82796	2.5
155.11798	2.8
173.12839	100.0
187.14415	18.2
193.65675	2.5
201.12329	36.5
215.13852	13.7
219.13327	13.4
333.05881	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	332.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.9
56.78742	0.9
59.62775	0.8
60.04276	0.9
60.04523	10.3
60.16772	0.7
67.05500	1.9
69.07045	3.8
70.06580	3.0
72.08149	16.7
72.20795	0.8
79.05494	1.4
81.03419	4.6
81.07052	2.2
82.93645	0.8
84.04492	4.3
84.04939	0.8
84.08128	1.7
86.09702	100.0
90.05541	4.2
91.05463	2.7
91.71727	1.6
93.07039	1.3
95.04953	0.9
97.02199	1.0
97.02909	1.1
98.98438	2.3
102.05528	2.9
105.06994	1.3
107.04957	1.5
120.06591	2.8
123.04388	1.3
133.10146	1.1
139.03894	1.4
145.06477	1.1
148.06091	1.5
157.13347	5.1
165.05417	1.4
185.12904	1.8
185.16504	11.8
197.12939	2.6
199.18059	11.1
201.12538	1.5
203.07179	1.2
213.15977	5.8
215.13943	2.3
219.13486	2.2
227.17551	4.7
240.36980	0.9
261.14749	1.9
279.15881	2.6
332.20999	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	332.2179
Annotation	Thr Val Ile
Peak:m/z	Relative Intensity
55.05490	5.9
56.05034	11.7
56.96560	2.1
57.03437	1.3
58.06580	5.3
60.04515	4.3
67.05503	2.4
70.06580	6.4
72.08148	61.4
74.06072	33.0
84.04501	11.9
84.08143	3.5
86.09705	15.4
98.98461	6.6
101.07143	23.5
103.10302	1.8
107.04950	3.0
110.09653	6.4
112.07639	2.5
112.11256	2.2
112.47649	1.9
128.10712	17.9
129.10246	9.0
132.10194	4.7
139.03882	2.2
144.36458	1.5
152.75839	1.7
153.05563	1.9
171.26918	2.0
173.12846	100.0
189.59288	1.8
201.12340	37.2
209.52707	1.8
215.75577	1.7
224.89439	1.8
229.94749	1.8
308.61539	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2179
Annotation	Ile Ile Ser
Peak:m/z	Relative Intensity
56.96555	2.0
58.36462	1.0
60.04510	2.2
61.22865	1.3
67.05508	1.3
69.07056	5.8
70.06580	2.9
71.93348	1.1
72.08150	12.2
74.13945	1.1
84.04501	1.1
84.08137	2.3
86.09700	100.0
98.98447	6.3
100.06298	1.3
128.56976	1.2
128.85628	1.2
139.03908	1.2
165.05453	4.8
179.87907	1.4
187.10757	2.0
199.18054	17.1
215.10271	2.1
219.13419	3.4
227.15544	1.4
227.17470	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	332.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63816	5.1
53.00321	5.5
55.05495	20.3
56.05016	10.1
56.96551	5.3
57.07058	19.7
58.00644	5.4
58.06573	12.6
66.86391	5.7
67.05490	96.4
69.07048	35.4
71.04950	6.5
71.08605	13.2
74.06058	10.1
79.05483	17.0
81.07045	100.0
83.05014	6.6
83.08607	11.0
83.45262	5.9
88.07613	44.0
91.05476	20.2
91.71687	7.9
93.07038	48.1
95.08595	81.7
96.67149	6.9
97.10143	8.9
98.98434	7.4
102.35213	6.4
105.07036	13.8
107.08571	32.1
109.10137	20.9
115.96431	6.7
119.08553	7.1
121.10129	19.2
123.11707	14.0
131.08556	14.8
133.10139	7.9
133.28961	6.1
135.11699	18.7
137.13170	7.1
141.31702	6.3
145.10234	6.3
149.13226	8.5
150.30264	8.7
161.13307	7.5
163.14828	9.8
177.16394	7.7
243.21045	17.4
250.01456	6.7
259.38956	8.6
261.22046	30.3
278.24945	13.3
284.29391	22.9
332.31512	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	6.7
56.05025	3.1
59.62167	2.3
60.04517	100.0
67.05501	19.0
69.07052	9.0
70.06576	12.9
79.05476	7.9
81.07043	28.8
81.56607	2.7
83.08592	5.6
90.15327	2.9
93.07004	5.6
94.26566	3.3
95.08584	23.0
97.10185	3.4
99.06265	2.6
109.10107	7.4
150.03882	3.2
155.91673	2.9
278.24759	3.3
296.25848	14.3
314.26895	38.4
332.28024	42.9
342.43164	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	332.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	3.8
56.04812	1.7
56.05028	21.8
57.07065	13.8
58.06582	9.6
58.49382	2.0
60.04512	3.5
60.57669	1.7
67.05474	6.7
69.07057	3.0
71.08619	6.6
74.05756	1.7
74.06074	17.2
81.07038	7.0
85.10174	3.4
88.07619	69.9
91.05439	2.8
93.07044	2.5
95.08606	4.2
98.98399	2.2
118.08637	9.7
121.10095	2.0
122.08143	9.7
140.18732	2.0
170.41025	2.0
170.89604	2.0
173.13257	2.2
248.58873	2.0
251.76834	2.4
261.21927	2.5
284.29440	41.7
332.31570	100.0
333.31815	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	46.9
56.96574	6.4
57.07060	50.1
58.06604	25.0
60.04524	6.0
63.20332	5.2
64.15198	5.0
69.32870	5.3
69.33269	5.0
71.08643	24.8
74.06077	44.1
74.80801	5.1
79.32726	6.1
84.44696	6.0
85.10184	7.8
86.06080	9.2
88.07628	7.4
98.98475	10.5
104.96171	6.4
107.56456	5.8
118.08714	13.0
121.03418	6.5
122.08134	56.4
126.00899	6.2
178.83281	6.7
184.70114	6.6
221.12100	6.2
332.31561	100.0
332.35016	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	333.024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88641	1.6
56.05022	2.6
56.70405	1.5
57.84620	1.5
60.04511	3.1
68.99760	2.2
69.05812	1.8
70.06570	6.3
72.08132	8.9
74.06054	9.5
79.01865	2.1
81.68262	2.0
84.04480	4.4
84.08144	2.6
84.23505	1.9
86.09691	15.4
87.10021	3.0
88.89520	1.8
95.01328	16.1
98.98457	4.1
101.07133	6.2
102.05517	1.9
105.35471	1.9
107.04939	2.3
121.02718	2.2
128.10747	2.4
129.10239	2.5
135.04498	2.0
139.03894	3.3
147.04472	2.9
153.01819	4.9
161.02269	2.4
163.03902	3.0
165.05470	4.2
173.12828	10.8
175.03865	1.9
187.14413	16.1
188.14742	3.7
193.01349	5.5
201.12257	4.6
203.03375	61.1
215.13832	2.9
219.02885	2.9
228.04002	2.2
231.02858	67.8
233.04468	4.6
259.02328	19.5
281.77734	2.1
287.01822	100.0
294.50159	2.6
305.02921	2.4
318.03598	6.2
333.02377	74.5
333.05960	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	333.0602
Annotation	Laricitrin
Peak:m/z	Relative Intensity
56.37857	0.6
57.41146	0.7
60.04506	1.8
68.99786	1.3
69.60664	0.9
81.03386	1.7
81.35477	1.4
93.93093	0.8
106.44511	0.8
108.02094	0.8
109.02872	4.7
111.00790	1.1
137.02339	2.2
139.03908	1.2
153.01820	13.3
165.01863	2.3
167.03416	1.0
205.04942	2.7
206.05743	3.6
208.03658	3.2
216.04070	1.5
217.04903	4.2
219.02895	17.3
233.04475	7.5
234.05128	1.7
242.39380	1.0
243.02837	2.2
244.03593	5.6
245.04402	5.0
259.06235	0.9
261.03973	3.4
273.03943	3.3
289.03360	4.8
290.04083	4.7
301.03360	7.6
318.03674	46.7
333.06015	100.0
334.06454	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0602
Annotation	Laricitrin
Peak:m/z	Relative Intensity
60.45613	1.4
78.56750	1.6
87.50489	1.9
111.00812	3.4
114.15051	1.6
119.73268	1.8
136.06267	1.8
139.03883	6.4
153.01816	15.4
165.01845	3.5
167.03389	4.1
179.03304	2.1
189.05544	2.1
204.34901	2.0
217.05002	4.3
219.02890	5.6
232.97130	2.1
233.04492	3.5
242.95306	1.7
243.98003	1.7
244.03584	4.3
245.04346	9.5
273.03925	6.3
277.06982	2.8
287.84445	1.8
289.03528	3.0
290.04333	3.5
301.03525	9.7
304.05334	2.0
308.54330	1.8
318.03653	13.7
333.06021	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0602
Annotation	Laricitrin
Peak:m/z	Relative Intensity
50.94007	0.5
55.01844	0.7
61.82548	0.7
63.06915	0.6
68.99760	2.0
69.02579	0.6
77.00588	0.7
79.15083	0.6
80.54429	0.6
81.03413	1.1
85.06554	0.8
109.02874	2.3
109.62657	0.8
111.00807	1.8
121.02817	1.1
137.02339	2.2
139.03918	5.5
153.01817	16.1
154.04878	0.7
157.02635	0.9
165.01807	4.7
166.02666	1.2
167.03378	3.0
167.07133	0.8
179.03392	1.7
183.02895	1.1
183.68779	0.8
189.05513	1.3
193.04898	1.0
205.04976	1.1
207.02818	0.9
208.03618	2.1
216.04149	1.9
217.04958	7.7
219.02870	8.8
233.04472	4.6
237.01524	0.8
243.02849	2.1
244.03574	5.2
245.04424	7.0
255.02834	1.1
259.06052	0.9
261.03925	2.4
272.03210	0.8
273.03867	7.5
277.06982	1.0
287.05499	2.1
289.03525	4.1
290.04166	3.4
301.03375	9.8
304.05682	1.4
315.04724	0.8
318.03735	16.0
333.06012	100.0
334.06308	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0602
Annotation	Laricitrin
Peak:m/z	Relative Intensity
55.05504	1.7
57.28686	1.2
60.04290	1.0
60.04516	12.3
63.57388	1.3
67.05496	4.2
68.99762	2.6
69.07033	3.0
70.06586	1.8
79.05473	3.0
81.03430	2.0
81.07021	5.7
91.05468	1.6
91.71622	1.5
93.07030	3.2
95.08591	5.1
96.09801	1.3
98.98466	3.4
99.99150	1.4
109.02863	3.4
109.10113	1.6
111.00744	1.6
119.08546	2.0
119.81220	1.4
121.10093	1.5
137.02304	2.1
138.03062	1.5
138.05525	1.8
139.03879	5.5
144.59023	1.5
151.57936	1.8
153.01805	16.2
165.01875	3.5
167.03374	3.7
179.03474	2.1
193.04964	2.0
200.25594	1.8
207.02866	1.6
217.04945	8.1
219.02893	8.4
233.04495	5.1
244.03708	3.4
245.04489	6.5
261.03830	2.9
273.03967	6.0
278.24680	2.0
287.05630	2.0
289.03583	4.0
290.04083	3.1
296.25455	2.0
301.03329	8.8
314.26862	3.8
317.73666	1.7
318.03687	14.7
332.27936	4.9
333.06012	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0964
Annotation	Dihydrotricetin 7,3'-dimethyl ether
Peak:m/z	Relative Intensity
55.05492	5.2
56.05030	3.2
56.96548	3.1
59.42627	2.3
60.04521	5.0
67.05487	3.3
69.03416	32.3
70.06596	14.7
70.61525	2.2
71.86935	2.2
72.08148	15.0
81.03387	4.2
81.07019	2.9
83.06092	14.3
84.04498	16.8
84.08142	6.9
86.09706	11.9
91.05473	3.7
93.07096	3.2
95.04977	2.7
98.98463	13.1
101.07143	3.2
107.04938	7.0
129.10226	3.0
130.06528	7.6
135.04407	6.7
137.05998	10.9
139.03908	71.2
141.05457	9.3
146.05992	4.4
153.05446	4.7
163.03902	13.0
165.05461	100.0
169.51669	2.9
170.01285	3.5
170.05991	4.0
177.05450	4.4
181.02956	3.0
181.04947	12.3
188.07069	10.6
192.24516	2.9
195.06616	4.8
270.12469	5.1
315.08453	3.0
315.14499	8.8
316.12933	5.5
333.09598	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	333.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
56.96548	6.1
65.03928	5.9
65.66226	2.3
67.05489	11.5
69.07040	7.5
70.06673	2.7
71.01328	8.9
79.05479	12.4
81.07048	35.9
83.93279	3.1
91.05473	20.8
91.71575	4.4
93.07024	4.7
94.04181	8.1
95.04977	13.5
95.08628	14.2
98.98431	3.7
105.07030	5.6
106.48782	2.4
107.04951	19.6
107.08616	3.5
109.06512	50.4
109.07206	4.8
109.10126	4.9
109.41991	3.1
111.04427	4.7
112.39673	2.6
118.04164	3.6
118.37848	2.9
121.06541	4.7
123.04470	6.9
124.05215	3.0
125.05975	5.1
133.02850	3.6
135.04414	12.5
135.08051	6.1
135.11697	3.4
137.05019	5.7
137.05980	67.4
138.06758	7.9
146.03586	4.6
147.04356	3.7
149.05989	6.4
150.06725	5.6
151.03909	100.0
151.05028	5.8
153.01811	4.3
153.05478	9.5
161.05948	3.6
163.03822	7.1
163.06305	3.7
163.07494	15.6
165.05426	5.3
167.07062	4.8
177.05482	9.0
178.06189	25.2
181.08554	7.5
191.06984	3.0
195.06532	8.7
196.07224	15.6
240.18297	3.4
258.57935	3.1
279.23087	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	333.1509
Annotation	1-Dehydro-9-fluoro-11-oxotestololactone
Peak:m/z	Relative Intensity
53.39235	6.1
55.93518	7.0
57.07074	6.0
62.89863	8.3
72.93766	11.8
76.26237	9.0
78.09691	7.2
91.05450	11.3
93.07070	8.3
93.31522	10.0
94.10098	7.6
113.96424	11.4
130.28175	8.3
134.73714	9.6
154.98985	10.9
155.14641	8.6
171.20442	9.9
192.35106	8.8
278.08316	10.8
333.15018	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1906
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
52.66357	2.4
55.05510	4.4
57.03432	3.1
58.83286	2.6
67.05473	4.6
69.07052	5.6
71.04977	14.7
73.06534	7.4
79.05487	8.6
81.07056	31.2
85.02890	8.2
91.05518	4.0
91.10842	2.6
93.07032	26.6
95.08610	6.5
107.08579	36.4
109.10160	8.1
135.11679	49.5
153.12732	100.0
173.09003	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	333.1905
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
53.98520	1.7
55.05507	2.5
57.07063	1.9
67.05481	4.2
69.03416	5.5
69.07045	6.4
79.05483	29.6
81.03420	2.3
81.07049	5.6
84.12450	2.3
85.02892	19.7
91.05471	10.2
93.07033	54.9
95.04962	5.1
95.08598	5.2
97.02857	6.0
97.06567	2.6
101.57155	2.2
102.51539	1.9
105.07014	3.9
107.08583	44.9
109.10158	2.2
121.10167	3.7
127.03917	4.1
133.10159	2.5
135.11684	100.0
142.31310	2.3
145.05005	4.4
153.12743	9.2
171.13779	4.7
173.28748	2.5
201.68391	2.2
261.14658	3.3
297.16620	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	333.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.5
57.07060	4.5
62.89045	3.0
63.05733	3.2
67.05490	6.7
69.03403	7.8
69.07052	14.6
73.86635	3.3
75.42005	3.2
79.05477	33.0
81.07051	10.2
84.21329	4.9
85.02899	30.6
85.77261	3.7
91.05476	12.4
92.97540	3.5
93.07037	55.1
95.04967	4.4
97.02896	6.7
105.04417	4.0
107.08573	40.7
109.10153	39.9
123.31010	3.5
127.03935	4.3
135.11684	100.0
137.06024	5.1
145.04932	4.6
153.12770	19.9
170.63322	4.7
172.27754	4.7
200.77798	3.9
250.16901	4.0
310.00873	4.1
331.73734	4.5
333.06107	6.2
346.16330	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	333.1906
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
53.69970	0.9
54.06174	0.9
55.05498	2.2
57.07049	1.2
67.05492	10.1
69.03415	3.7
69.07051	2.5
74.13396	1.1
79.05470	2.5
81.07041	3.5
85.02890	13.3
91.05467	6.8
91.63618	1.3
91.71713	1.3
93.07037	9.9
95.08598	3.6
97.02845	1.5
98.98466	1.6
105.07003	3.1
107.08588	22.5
109.02785	1.2
109.06492	1.4
109.10147	100.0
110.76324	1.3
119.08569	3.8
119.28864	1.2
127.03989	1.6
133.10121	1.6
135.11687	31.6
135.20609	1.1
137.05983	3.2
139.43600	1.3
141.29999	1.2
153.12727	58.9
157.54361	1.2
169.46841	1.3
171.13785	3.1
192.31686	1.4
199.45668	1.5
256.47000	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	333.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59601	2.2
54.25512	2.4
54.49186	1.9
55.05491	2.5
57.07042	2.2
60.62054	2.0
61.02925	3.9
61.36803	2.3
68.14404	2.1
69.03416	12.9
69.07062	6.5
73.02886	2.4
77.40622	2.2
79.05482	37.0
81.03410	3.1
81.07050	13.9
85.02895	45.6
86.03206	3.0
91.05476	11.0
93.07037	58.2
95.04945	8.3
95.08607	5.6
97.02889	7.6
102.15196	2.9
105.04522	3.0
105.07013	4.6
107.08579	42.3
109.06540	3.1
109.10162	4.8
116.43481	2.7
119.08562	3.5
127.03909	6.5
131.05031	3.0
133.10085	3.1
135.08069	11.5
135.11690	100.0
136.08380	10.0
137.44339	2.4
145.04956	4.6
153.12779	6.0
286.17703	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	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87767	3.3
55.90171	3.4
56.96560	5.4
60.04534	3.2
67.05507	4.4
68.63742	3.7
83.05466	4.4
98.97574	5.6
98.98452	5.6
104.39204	4.4
109.45229	3.7
116.98637	5.6
123.74667	4.0
183.65428	4.2
201.14227	4.7
237.11661	4.7
247.13078	4.4
252.04041	4.7
291.39685	5.1
293.05508	9.1
306.29379	4.8
315.19235	8.9
320.33618	4.8
333.20331	100.0
334.07956	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.0
56.96548	4.3
58.57067	2.5
60.04510	5.2
67.05491	4.3
69.07037	3.6
70.02715	4.0
81.07036	5.0
83.08632	3.7
88.39234	2.9
91.05474	6.0
98.98463	6.5
105.06982	4.0
139.85770	3.1
146.97456	3.1
178.98117	3.2
192.97826	3.3
235.13101	13.9
276.95288	3.7
333.16663	4.9
333.20306	100.0
334.07993	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	333.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44255	1.6
53.70753	1.7
54.21737	1.8
56.96549	4.0
60.04498	2.5
70.08600	2.0
118.33157	1.9
128.98505	2.3
129.45778	2.3
156.10292	2.4
207.69167	2.5
288.82510	2.5
289.03397	2.6
333.20313	100.0
334.08292	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	333.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57299	4.5
55.01851	5.3
56.96547	5.2
57.06836	5.0
57.07070	55.8
62.60531	5.1
65.18953	4.4
67.05489	8.5
70.25956	5.3
75.53963	5.2
79.05460	10.5
81.07041	9.9
91.05496	8.9
91.35066	4.9
95.04963	6.6
95.08605	6.6
98.98438	6.6
105.06995	5.1
107.04940	6.7
109.10151	7.3
117.05924	5.3
121.06554	5.8
123.04417	62.9
125.05978	5.5
135.04396	10.2
137.05934	12.5
137.56726	4.9
145.06462	6.9
147.08070	7.6
149.05981	7.1
152.64151	5.0
154.57031	5.3
160.05092	5.2
161.05907	9.3
161.09515	5.1
161.29910	5.3
165.09097	100.0
171.08014	6.8
173.05988	8.8
175.07536	51.0
178.16666	5.1
180.50395	5.0
189.09099	23.4
199.07506	8.0
217.08554	34.5
217.12195	11.0
219.21225	5.6
235.09550	5.8
282.33853	6.7
291.15869	75.9
333.12357	6.4
333.20517	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	333.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	7.3
57.07065	4.9
61.01310	1.7
67.05490	5.5
69.07060	10.6
73.22483	1.9
76.86764	1.5
79.05459	2.2
81.07044	5.5
83.08605	5.1
85.10174	1.9
87.85643	1.5
89.50793	1.6
91.05468	6.6
95.04965	3.4
95.08608	5.3
97.10139	2.4
98.42812	1.8
98.98475	2.7
100.10641	1.6
105.03367	3.6
105.07034	10.4
107.04927	17.9
109.10107	1.7
115.05569	1.8
117.07007	3.3
119.08568	3.6
123.04485	1.8
131.08612	4.2
133.06491	16.0
134.93318	1.9
135.04411	4.8
145.06494	6.7
147.08063	9.0
147.33884	2.1
151.03894	100.0
157.06439	2.3
161.05933	8.3
161.09607	2.6
175.07553	3.0
179.06989	10.8
193.08589	5.4
213.09149	2.2
279.00684	1.9
297.40210	2.1
315.23285	5.8
333.06070	2.9
333.24216	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	333.2634
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
50.28815	2.5
51.69771	2.2
54.11193	2.2
55.05500	20.3
57.07073	3.3
63.02367	2.4
67.05492	79.6
67.05822	4.5
68.90562	2.8
69.07052	36.0
69.07375	3.2
71.04988	7.9
77.55283	2.8
79.05473	18.7
81.07044	100.0
82.19232	2.6
83.04993	4.8
83.08639	10.9
85.06556	6.9
91.05448	16.4
93.07038	23.5
95.08599	81.1
97.06542	6.3
97.10194	9.2
105.07064	11.8
107.08578	19.1
109.10152	42.4
109.10850	3.1
119.08621	5.5
121.10162	20.2
123.11671	17.4
125.09684	3.2
131.08549	5.9
133.10208	8.4
135.11717	11.4
137.13304	8.7
138.44872	2.9
145.10170	6.6
147.11737	5.7
149.13226	3.5
151.11192	4.6
159.11703	4.4
161.13274	4.5
173.11716	3.6
173.13283	6.2
179.14198	3.5
187.14836	3.8
243.21188	7.7
261.22064	18.2
279.23129	60.4
297.24432	7.9
297.78650	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	333.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	100.0
70.50771	2.9
71.08620	80.1
78.02144	3.1
85.10168	39.3
89.06026	41.9
91.71700	3.7
116.27590	3.7
127.19669	3.6
130.08685	12.8
133.08655	8.8
151.09657	29.8
160.96390	4.0
165.50902	3.1
189.96233	3.5
203.93179	3.8
217.38716	3.8
284.52487	4.1
305.21921	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	333.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00706	4.5
55.01854	5.6
55.05497	26.6
57.07062	11.2
57.86838	4.8
57.91346	4.6
67.05493	81.8
68.84341	4.6
69.07060	35.3
69.62935	4.5
71.08621	11.1
72.59441	5.0
79.05481	23.4
79.79263	4.5
79.99805	5.5
81.07053	100.0
81.82014	5.4
83.08605	24.1
85.10156	6.0
89.05990	5.9
91.05472	10.9
91.71696	13.2
92.66872	6.1
93.07027	39.4
95.08599	86.5
97.10172	18.2
102.05582	6.0
105.07043	11.4
107.08619	18.6
109.10157	33.4
119.08634	15.3
121.10115	27.3
123.11704	15.1
132.59863	5.9
133.10118	8.6
135.11742	14.2
137.13269	6.1
149.13280	11.8
175.14824	6.5
191.87622	6.5
205.46138	6.5
264.00375	6.6
275.27258	13.1
315.30484	12.6
333.05951	7.1
333.31381	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0806
Annotation	(S)-bromazine
Peak:m/z	Relative Intensity
56.96555	31.3
84.96013	8.0
91.71580	3.9
93.80235	2.7
98.97584	31.1
99.92913	2.9
102.52229	3.3
104.21157	3.5
105.01093	3.1
105.08287	3.1
116.98619	21.7
128.98611	4.3
131.00148	3.3
134.99651	9.9
140.00197	25.5
146.99591	4.0
152.00125	4.1
158.01212	21.5
161.01172	5.9
166.01698	4.7
172.02776	4.4
175.02882	3.6
177.00688	3.9
181.02884	21.1
193.02921	4.7
198.04338	5.2
200.02383	3.7
212.28401	3.4
233.03464	4.3
269.05450	10.7
274.06039	22.8
292.07031	12.1
293.05380	24.9
311.06464	12.2
315.08560	26.5
334.08066	100.0
335.08524	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	334.0809
Annotation	(S)-bromazine
Peak:m/z	Relative Intensity
52.81018	4.2
56.96562	32.5
60.04506	6.1
70.06592	6.3
72.08158	6.6
84.08125	7.4
84.96019	10.2
85.86481	4.6
86.09700	16.2
91.26133	4.3
91.58822	4.6
98.97559	28.7
107.04972	8.9
116.07094	5.9
116.98610	23.3
134.99644	10.3
140.00200	28.1
143.00203	5.4
158.01241	26.5
166.01736	5.5
173.05002	4.6
181.02864	16.6
184.02789	9.2
189.72032	5.8
214.03970	7.2
237.02986	5.7
269.05423	10.3
274.05923	12.2
282.87900	4.7
292.07019	14.6
293.05542	16.3
311.06433	18.9
314.35785	5.7
315.08594	14.4
334.08069	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	4.3
81.07083	3.1
81.21634	3.1
84.04499	42.6
91.71010	3.3
111.31902	3.4
118.06573	20.6
130.05023	7.4
132.08113	10.3
137.05959	42.7
143.07526	4.4
144.08139	16.3
146.06013	67.4
146.07050	5.6
159.09236	15.5
170.06068	5.1
174.78593	3.5
180.16373	3.5
188.07048	100.0
205.09700	27.9
225.10274	9.7
334.08121	4.7
337.13116	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	334.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31425	0.6
61.02902	0.7
61.51906	0.5
61.79005	0.5
63.00420	0.5
66.29614	0.5
69.03405	1.0
81.03400	0.9
84.39916	0.7
85.02895	4.9
93.68120	0.6
94.04168	2.9
97.02842	1.0
122.03648	7.1
127.03903	0.8
137.05969	100.0
138.06355	1.2
145.04921	1.2
216.85628	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32108	0.4
63.25075	0.5
66.04700	0.7
81.07119	0.5
91.05475	0.8
94.04187	3.6
97.28190	0.7
101.41748	0.6
122.03646	6.2
134.10759	0.6
137.05972	100.0
234.70711	0.6
238.99382	0.6
243.59462	0.6
255.90034	0.7
270.35403	0.8
334.08865	1.3
350.12177	0.8
352.07016	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50361	0.9
54.63948	1.0
59.35675	1.0
76.29948	1.1
81.09647	1.2
91.71115	1.4
94.04190	3.5
113.18005	1.2
122.03616	6.4
130.77501	1.4
137.05971	100.0
234.85529	1.4
237.67091	1.2
272.85464	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39311	0.6
55.96972	0.6
56.08658	0.5
61.02899	0.8
62.09150	0.6
65.03952	0.7
69.03412	0.6
72.56780	0.6
74.02307	0.8
85.02882	2.4
91.05487	0.9
94.04175	1.6
94.76627	0.7
97.02900	0.7
111.65272	0.7
114.92818	0.7
122.03636	6.5
137.05972	100.0
138.06310	0.7
201.68332	0.7
222.74730	0.7
299.11221	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	334.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92219	0.6
55.05494	0.8
56.96558	1.9
60.04519	100.0
67.05491	2.5
68.32374	0.9
70.06581	2.1
72.04493	0.8
72.08126	0.9
78.43946	0.8
79.26317	0.7
81.03399	5.9
81.07037	3.0
83.04972	0.8
84.08154	0.9
85.33569	0.7
91.05457	1.9
93.07026	1.3
93.92318	0.7
95.08601	2.6
98.97585	1.4
107.04941	1.3
107.08566	0.8
109.06526	1.0
116.53542	0.8
127.75469	0.7
129.07002	0.8
131.08627	1.0
135.07991	1.1
140.00240	1.6
148.79922	0.9
161.09587	1.1
167.67462	0.9
185.08185	1.2
197.01083	0.9
202.10812	2.6
222.26089	0.9
245.15289	4.9
263.16409	7.5
274.06015	0.8
280.19040	1.5
281.17511	2.1
285.50446	0.9
298.20139	2.4
307.52292	0.9
316.21350	3.9
334.08209	2.4
342.52750	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72742	1.5
55.05500	9.7
56.05023	8.6
56.05239	1.4
60.04515	100.0
66.44669	1.6
67.05490	27.6
69.07054	10.9
70.06579	11.0
71.04971	4.6
71.19524	1.4
79.05476	9.8
79.48572	1.4
81.07046	28.3
83.08589	6.4
91.05462	5.4
93.07039	12.4
95.08598	24.0
97.10133	3.8
105.07008	3.5
107.08581	7.4
109.10130	9.1
114.27982	1.7
119.08598	2.3
121.10104	6.9
123.11670	3.9
125.16409	1.8
130.51794	1.7
133.10092	1.8
134.24724	1.7
135.11696	5.6
147.11578	2.0
149.13194	2.9
163.15520	1.8
182.38689	2.1
229.22528	2.1
254.24615	2.1
262.25394	2.3
268.26242	2.0
280.26230	14.3
298.27328	28.5
314.45673	1.8
316.28436	31.4
334.29459	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	334.295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34328	2.3
55.76133	2.1
56.96549	3.4
57.07051	9.7
58.06572	4.4
70.06581	32.0
71.08631	2.6
72.08138	3.4
79.99370	2.2
84.08128	4.9
86.09683	6.0
88.07630	12.9
91.71638	2.6
102.09160	5.8
106.62560	2.3
114.94617	2.3
130.19739	2.4
132.10188	10.1
146.11746	10.1
173.56873	2.8
184.20657	3.1
185.29492	2.8
192.93190	2.7
195.05281	2.5
203.91479	2.6
228.23204	19.6
272.25833	45.7
334.29471	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	11.5
56.05044	2.4
56.96553	12.4
57.07070	4.9
60.04518	100.0
67.05495	31.0
69.07051	13.0
70.06573	15.5
71.04991	3.6
73.73271	2.5
79.05485	6.6
81.07046	32.2
83.08619	4.9
84.96017	6.4
91.05481	7.8
93.07040	9.3
95.08587	31.3
97.10155	4.7
98.97562	12.5
107.08595	9.0
109.10155	9.9
109.19036	2.9
116.98598	7.9
121.10147	4.5
134.99654	3.2
140.00224	7.2
156.83980	3.1
158.01270	7.3
166.01694	3.1
180.33746	3.0
181.02846	6.8
227.97987	3.1
253.49477	3.2
268.26434	4.1
269.05521	2.9
274.06006	5.7
280.26370	9.5
292.06998	4.6
293.05383	8.3
298.27390	10.8
315.08798	7.8
316.28400	34.1
334.08109	28.6
334.29486	69.6
356.95901	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	335.0735
Annotation	GroPIns
Peak:m/z	Relative Intensity
69.03412	4.8
75.81665	4.7
82.09142	5.3
85.02882	6.3
91.71541	7.1
97.02885	7.0
112.52308	5.2
113.64852	6.1
116.48814	4.9
118.60619	5.6
130.62233	5.1
137.06013	33.5
138.06339	24.2
172.74657	5.5
173.02077	35.1
185.04280	13.9
185.94012	5.7
228.44563	6.1
335.07346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59898	0.9
55.01870	1.6
57.34991	0.9
65.03947	1.5
68.99753	1.4
78.04697	1.8
79.05495	1.2
91.05493	2.3
95.04964	2.6
98.19044	1.1
98.44656	1.1
103.05481	2.6
107.04948	4.0
111.04463	3.4
123.04423	4.8
124.05226	1.9
130.05742	1.3
131.04929	4.7
137.05954	4.4
139.03891	60.3
149.06009	3.3
163.03917	4.6
165.05440	2.2
167.07025	100.0
177.05434	7.4
191.07089	2.2
197.08069	1.9
209.08098	1.9
335.22922	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39029	0.9
55.01865	2.0
61.69490	0.9
67.05475	1.9
67.99760	1.1
69.03419	1.2
76.40522	1.2
78.04688	1.5
81.57799	1.1
83.04981	1.3
91.05466	2.6
95.04954	2.8
96.83063	1.1
107.04929	2.6
109.10191	1.4
111.04443	4.2
121.06483	3.0
123.04428	4.4
124.05211	2.8
131.04950	3.7
137.05972	2.1
139.03891	56.3
140.00237	1.2
148.91768	1.4
151.03978	1.6
152.04669	1.7
153.05473	1.6
156.37761	1.3
159.04419	1.6
163.03911	4.1
167.07016	100.0
174.36160	1.2
175.23915	1.3
177.05447	7.1
191.06956	1.7
197.08061	1.2
234.72379	1.5
266.31525	1.4
278.30750	1.5
294.79703	1.3
312.93307	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	335.127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04805	4.2
56.05034	48.8
56.96564	7.0
60.04520	8.1
61.01144	35.7
63.65583	2.3
63.78973	3.0
67.05495	4.9
70.06576	6.0
72.08145	14.3
75.82182	3.0
81.07053	5.0
84.04012	5.5
84.04501	100.0
86.09701	12.6
90.49451	3.2
91.05518	3.9
91.71009	3.9
93.07063	3.7
95.08630	5.1
97.15115	3.0
98.06051	18.5
102.05548	30.2
104.05331	58.6
108.69389	3.0
116.07089	8.7
120.08099	12.0
143.11801	5.2
144.06558	67.0
146.06355	24.7
162.07614	84.1
162.52231	4.0
174.05855	9.7
185.09297	3.7
214.58453	3.4
243.23062	3.2
318.01340	4.4
331.32117	4.3
335.08664	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	335.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50560	3.5
53.71319	3.0
60.04503	6.2
63.77235	4.1
67.05520	5.4
79.13798	3.9
81.07062	4.5
101.41660	4.7
122.03682	6.6
124.45156	5.6
137.05965	90.8
201.93507	5.8
224.78191	5.5
335.21915	100.0
354.64984	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	335.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37352	3.9
55.01412	3.3
55.05499	21.8
56.96557	8.6
57.03436	25.4
59.16798	4.2
62.21244	3.5
62.95490	3.5
67.05131	5.2
67.05495	100.0
69.07058	23.4
78.62432	4.6
79.05479	33.8
80.94147	4.4
81.07041	77.5
83.08606	8.6
90.36277	5.1
91.05493	25.1
93.07030	48.3
95.08595	61.1
105.07032	13.0
107.08595	28.3
108.40316	4.8
108.79251	4.5
109.10149	20.9
119.08596	13.1
121.10173	15.5
123.11713	9.9
131.08574	6.9
135.11650	4.8
190.34845	4.6
278.91312	4.8
282.98828	5.4
293.24185	5.1
324.18790	5.1
335.21899	66.4
335.25821	66.0
352.06381	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	335.2214
Annotation	Smardaesidin B
Peak:m/z	Relative Intensity
52.50395	3.7
55.01861	6.9
55.05500	19.4
56.26552	4.3
57.07062	4.5
60.04521	100.0
65.67535	3.9
67.05498	89.1
69.07052	18.1
70.06569	10.6
71.04982	8.5
79.05478	30.2
81.07049	84.7
82.07389	6.3
83.04983	4.9
83.08595	7.8
85.03748	4.9
86.46102	4.6
91.05462	38.6
91.70987	10.7
93.07041	37.5
93.83994	5.0
95.01322	5.5
95.04942	10.6
95.08604	60.6
97.06523	6.7
105.07038	33.1
107.04951	15.9
107.08600	19.4
109.10131	31.5
117.07021	12.8
119.08583	13.2
121.06501	11.1
121.10119	24.2
121.63166	5.1
123.11742	7.1
129.06995	8.1
131.08580	18.2
133.06497	16.9
133.10150	11.2
134.27437	4.8
135.08029	6.9
135.11705	8.8
140.07175	5.5
143.08591	6.5
145.06575	7.6
145.10127	9.4
147.08067	17.8
149.09633	7.2
155.08594	10.8
157.04976	9.2
157.10129	11.6
159.08099	5.9
159.11655	8.0
161.09621	8.2
167.08469	6.5
169.09998	9.1
173.13268	5.6
175.07655	5.8
183.11798	8.0
185.09514	8.3
189.09094	6.6
203.10504	5.9
213.12701	6.6
221.11766	14.2
263.17978	6.1
280.26065	6.3
281.19043	9.9
281.26657	9.0
298.27472	10.8
299.19937	34.6
299.27722	15.4
316.28256	26.7
317.21179	42.5
317.28714	25.3
334.29456	23.5
335.22034	19.7
335.29861	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	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
52.36308	16.3
52.65834	13.9
55.05500	42.4
67.03156	18.9
67.05492	91.4
69.07050	24.2
79.05480	34.2
81.07033	100.0
90.00809	15.3
91.05460	33.3
91.71596	19.8
93.07047	60.7
95.08602	76.5
102.52042	16.9
105.07001	27.1
107.08581	27.5
335.25864	99.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.66784	2.5
51.88836	2.5
53.03922	3.4
55.05498	19.3
56.94095	2.7
57.03432	18.2
65.03928	4.4
67.05496	100.0
69.07059	16.7
72.96235	3.2
73.06124	2.8
79.05484	28.1
81.06599	5.8
81.07048	84.9
83.08582	4.8
91.05459	15.7
93.07031	44.6
95.04966	5.2
95.08598	58.2
97.10165	4.3
105.07015	16.1
107.08588	15.5
109.10150	23.9
119.08593	6.0
121.10159	17.0
123.11666	8.5
123.19610	3.3
129.33777	3.9
131.08591	5.4
133.10109	4.6
135.11673	13.7
145.10092	5.3
159.11658	7.6
261.22040	6.5
278.22464	4.6
308.50366	4.2
335.25797	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	30.8
57.03426	40.4
67.05505	100.0
69.07063	34.9
70.11292	15.0
79.05478	34.5
81.07053	57.7
91.05473	29.5
92.87016	14.5
93.07040	51.1
95.08599	55.5
104.14568	15.0
107.08619	19.2
109.10133	27.8
119.08595	16.4
121.10181	22.7
142.38257	13.8
163.99834	13.6
173.22108	15.7
235.09546	15.6
335.25940	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	6.0
55.05490	20.7
57.03420	22.9
62.01102	4.9
63.40630	5.1
63.55651	4.3
67.05495	89.9
69.07058	19.4
71.20255	4.2
72.46975	4.9
78.00908	4.7
79.05474	35.7
81.07053	96.6
83.08607	11.7
84.92490	5.6
91.05460	30.3
93.07036	60.5
95.04963	9.1
95.08597	72.6
97.06509	5.6
97.10149	6.1
105.07045	17.3
107.08601	44.8
109.10137	31.7
109.40853	6.0
119.08587	15.9
121.10152	33.5
123.11708	21.2
128.81908	6.0
129.19623	6.4
131.08589	8.7
133.10129	9.5
135.11678	27.7
145.10127	10.2
147.11713	14.0
149.13228	15.3
159.11717	10.1
173.13251	13.0
198.92874	6.6
213.69263	5.5
216.55394	5.8
261.22165	18.8
263.13559	6.8
335.22076	5.3
335.25714	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	fusicocca-1,10(14)-diene-16-(hydroxymethyl)-3,8beta-diol
Peak:m/z	Relative Intensity
51.25011	5.0
51.71268	4.9
55.05496	19.2
57.03432	24.9
57.07064	12.3
67.05498	100.0
69.07047	23.4
71.04986	6.2
79.05485	38.9
81.07050	96.6
83.08628	5.8
85.06540	15.0
91.05468	24.0
93.07033	47.6
95.04974	10.9
95.08600	64.1
97.06575	5.0
105.07025	11.6
107.04948	25.2
107.08589	27.4
109.06488	5.2
109.10137	28.5
113.09648	13.2
117.07001	5.8
119.08542	12.1
121.06528	7.9
121.10137	20.0
123.11697	8.4
125.38844	4.6
131.08604	7.3
133.10089	12.0
135.11682	17.7
145.10027	8.5
149.13248	10.1
169.02750	5.2
178.01358	5.4
255.01929	5.9
261.22058	9.9
317.24713	15.0
335.22122	12.6
335.25735	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29151	2.8
53.76316	3.2
55.05136	2.6
55.05495	3.7
55.95695	2.6
57.07066	47.2
59.53714	3.0
62.58641	2.9
63.32665	3.0
64.23213	3.4
71.08621	36.8
78.77272	4.4
80.49226	3.0
82.60429	3.4
85.10173	26.6
85.57715	3.2
87.84785	3.5
89.06021	100.0
107.07073	5.4
123.94130	3.9
130.08643	13.8
133.08607	31.5
135.65385	4.1
139.18192	4.5
177.11156	5.4
195.12213	20.7
256.19122	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	335.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	2.0
53.03923	2.4
55.01852	2.9
55.05254	3.0
55.05503	39.5
57.07064	22.1
57.19286	1.5
62.34136	1.7
65.03931	1.7
65.19792	1.6
67.05495	71.7
69.07058	64.2
71.04977	7.7
71.08609	12.4
73.89822	1.6
79.05473	15.1
81.07046	100.0
83.08610	45.3
85.06525	8.8
85.10181	6.0
91.05458	4.1
93.07035	24.1
95.08597	93.3
97.10162	37.8
102.42025	2.0
103.37138	1.9
107.08562	12.9
109.10143	48.3
111.08076	7.6
111.11711	14.9
121.10151	13.3
123.11706	19.9
125.13266	3.9
135.11687	17.1
137.13239	6.7
145.14073	2.7
149.13211	10.3
151.14877	4.1
163.14873	3.4
165.16370	2.7
260.90732	2.4
261.25848	2.2
277.29062	3.1
317.31955	24.9
327.78406	2.0
335.33032	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	336.1914
Annotation	Gly Leu Phe
Peak:m/z	Relative Intensity
57.07055	1.6
58.06599	1.1
86.09696	100.0
93.07069	2.1
95.04959	1.3
103.05462	3.1
106.28669	1.3
120.08096	47.4
121.06499	11.4
131.04854	1.3
143.11787	65.1
166.08624	21.2
171.11282	10.3
187.53333	1.5
247.30356	1.4
300.23203	1.7
310.80161	1.4
334.33173	1.4
336.25491	3.4
355.81961	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95125	2.1
55.01870	2.5
55.05514	4.7
56.05045	4.8
60.04517	70.6
61.68428	2.2
67.05501	12.8
67.40788	2.2
69.07063	7.3
70.06579	21.0
71.04988	3.2
72.08163	7.9
79.05511	9.1
81.07063	17.5
82.06593	2.6
84.01157	2.1
84.04544	4.1
84.08154	6.6
86.09698	97.2
91.05504	11.4
93.07046	15.9
95.04990	3.3
95.08602	15.5
97.06555	4.0
100.07672	2.6
100.11834	2.6
103.05470	5.9
105.07076	11.2
107.08632	6.8
109.10212	6.2
110.13980	2.4
119.08627	8.6
120.08101	100.0
121.10175	6.9
129.05516	2.4
131.08543	5.9
133.10143	5.8
136.06178	4.7
139.07610	4.3
145.10165	4.5
165.95367	2.8
189.12471	3.5
223.29437	2.9
233.16534	36.8
261.16101	7.4
278.70209	2.6
282.20667	4.2
300.21796	16.2
305.85123	3.4
318.22672	26.5
336.23813	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2531
Annotation	Neovasipyridone C
Peak:m/z	Relative Intensity
55.22319	4.6
58.06591	26.3
58.73555	4.0
63.41688	3.8
67.05504	6.3
69.07079	18.8
79.05508	4.9
81.07056	11.7
85.02925	3.8
85.93842	4.6
88.62272	4.5
91.05482	6.1
93.07058	9.6
95.08604	9.9
105.06993	25.9
107.04986	5.2
107.08631	12.1
109.10159	9.8
117.07032	4.9
121.06545	10.7
121.10146	8.0
123.11742	5.8
133.06473	45.4
135.08034	48.4
135.11729	10.1
139.03915	5.6
143.08656	5.4
145.06503	8.0
147.08083	10.5
149.09645	4.9
151.07631	6.5
157.06573	8.2
161.09705	6.6
167.07182	9.0
168.07433	6.1
171.08179	8.0
178.12331	13.2
185.09673	6.4
199.11276	12.0
255.17516	15.2
273.18359	5.3
300.23254	10.1
318.24249	35.0
336.25305	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	336.2531
Annotation	Neovasipyridone C
Peak:m/z	Relative Intensity
53.54380	5.0
56.96534	6.7
57.03420	10.0
58.06586	23.5
58.59000	5.3
61.93812	6.2
62.37428	5.1
66.73088	5.4
67.05491	9.4
68.58843	5.6
68.96552	5.7
69.07056	7.5
79.05473	11.4
79.95437	6.0
81.07034	12.4
86.09715	7.7
93.07014	14.6
95.08591	14.8
105.07018	20.8
107.04945	11.3
107.08612	14.5
109.10161	19.7
111.34280	6.6
116.62214	8.2
117.07028	8.5
119.08575	8.6
121.06493	68.2
121.10136	8.8
125.43008	7.8
133.06467	52.5
133.10204	10.5
135.08051	57.0
139.11172	10.9
147.08015	10.5
166.12279	12.0
196.35075	7.7
199.11263	9.9
216.53615	7.0
220.91776	7.8
251.30695	7.3
255.17340	8.1
300.23291	16.0
318.24219	36.8
322.91229	8.1
336.25266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	27.8
56.96562	5.6
58.67592	4.3
60.08155	8.2
61.46923	4.1
65.03922	4.7
65.65018	4.6
67.05499	89.7
69.07051	15.8
69.11455	4.8
73.02897	7.3
79.05488	43.0
81.07052	56.1
83.08606	7.2
85.06495	4.9
91.05484	22.6
93.07032	42.3
95.04946	6.4
95.08596	34.2
95.88464	4.6
99.04457	23.4
103.79941	4.8
105.07009	16.6
107.08593	24.3
108.88217	5.0
109.10152	8.5
119.08595	13.1
121.10165	9.3
127.45366	5.0
130.36238	4.6
135.11722	7.3
160.33127	5.4
198.38611	5.9
205.71559	5.4
243.69933	5.7
253.69408	6.0
272.58942	5.9
277.21616	82.8
336.29068	100.0
354.47922	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	336.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68070	7.6
55.05499	52.1
56.91321	8.9
57.07066	30.6
67.05499	83.0
68.96079	8.9
69.07061	54.8
69.08481	9.6
71.08611	16.8
71.46191	9.0
72.34111	8.9
74.30566	11.1
79.05486	13.3
81.07050	100.0
83.08612	50.2
85.10179	11.5
91.05453	23.4
92.98448	11.2
93.07033	23.5
95.08588	78.4
97.06561	9.9
97.10174	32.9
107.08624	12.7
109.10160	43.8
111.08083	15.3
111.11707	22.4
119.08589	18.0
121.10154	22.5
123.11688	21.2
135.11758	18.1
147.11620	13.3
150.14668	10.1
161.13132	11.2
166.20940	12.1
178.71307	11.8
214.99408	10.0
247.37384	10.7
251.16623	10.6
283.63660	13.8
301.28958	25.8
319.29834	30.6
323.99384	11.4
336.32678	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16564	4.5
55.05509	57.2
56.24601	4.9
57.07059	28.5
67.05499	64.9
69.07055	77.3
70.76133	5.9
71.08642	8.3
72.04470	5.2
72.08147	5.7
79.05489	19.5
81.07047	100.0
83.08604	56.9
86.06073	7.7
91.05497	14.2
92.77489	5.9
93.07024	18.0
95.08592	86.7
97.06535	9.8
97.10174	39.9
100.07610	6.6
102.05872	7.0
105.07008	12.8
107.08607	14.5
109.10141	54.1
110.24726	7.3
111.08073	7.8
111.11721	8.5
114.09187	11.1
121.10164	20.1
123.11696	17.8
133.10158	15.8
135.11705	14.9
137.13316	12.0
147.11700	7.5
149.13243	9.1
161.13293	10.2
193.55414	6.8
294.83017	7.1
301.28912	12.1
319.29971	38.2
323.03870	7.5
336.32596	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	337.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11665	10.9
62.86359	11.1
70.06596	33.3
81.63797	12.5
84.08099	17.3
87.11001	13.4
99.04482	13.7
119.01907	33.3
124.93177	16.0
145.03482	13.1
157.03531	21.2
165.05046	29.1
175.04503	18.6
175.11900	18.4
184.04581	25.1
277.07785	29.1
295.08871	19.8
318.10486	44.9
337.09067	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0917
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
59.29554	0.6
63.02353	0.8
65.03927	1.4
67.05499	1.6
67.60091	0.8
79.05480	1.8
83.04958	2.3
83.25191	0.8
89.03907	11.0
93.03378	0.9
95.04945	4.7
107.04954	2.7
111.04463	1.6
117.03374	9.4
133.95576	0.9
135.04416	24.9
139.03882	3.4
145.02847	9.6
150.00044	0.9
158.05989	1.6
163.03894	100.0
181.04959	3.7
186.05478	5.7
198.91852	1.1
240.77330	0.9
265.59070	0.9
277.21793	1.0
304.13400	1.1
319.08234	1.5
337.12250	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29554	0.6
63.02353	0.8
65.03927	1.4
67.05499	1.6
67.60091	0.8
79.05480	1.8
83.04958	2.3
83.25191	0.8
89.03907	11.0
93.03378	0.9
95.04945	4.7
107.04954	2.7
111.04463	1.6
117.03374	9.4
133.95576	0.9
135.04416	24.9
139.03882	3.4
145.02847	9.6
150.00044	0.9
158.05989	1.6
163.03894	100.0
181.04959	3.7
186.05478	5.7
198.91852	1.1
240.77330	0.9
265.59070	0.9
277.21793	1.0
304.13400	1.1
319.08234	1.5
337.12250	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61195	3.2
51.13420	4.0
56.50810	3.6
68.18414	3.8
69.03424	4.8
70.06597	12.8
71.04989	4.7
85.02927	5.3
87.13596	4.6
93.45078	4.1
101.00906	10.3
109.02885	8.7
119.01930	32.0
124.02495	10.0
131.64764	4.5
133.03481	8.4
142.03549	19.7
143.01913	9.0
145.03537	7.4
153.45160	5.3
157.03526	16.0
161.03001	9.7
165.05188	9.3
168.05115	6.8
175.04591	12.8
180.05072	8.4
184.04630	17.7
185.02998	9.8
188.66798	4.6
199.04543	8.3
210.06177	7.7
245.05179	6.7
245.81599	5.1
277.07565	27.3
295.08774	32.2
318.10312	100.0
337.09003	18.2
337.17081	9.4
348.47174	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	337.098
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12601	5.7
70.06593	13.2
72.94303	6.1
91.71647	12.0
111.04611	7.9
119.01944	15.4
139.07326	6.8
142.03499	12.1
157.03519	8.7
165.05089	18.0
168.06435	7.3
175.04550	10.4
184.04619	10.8
198.06247	9.2
206.78011	8.4
269.50174	8.1
277.07727	29.0
295.08524	15.9
318.10361	100.0
336.94781	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	337.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12893	2.9
54.94959	3.1
55.62244	3.3
71.05009	3.6
72.20512	3.2
79.05505	4.5
112.81170	3.7
115.05482	4.8
129.07053	10.8
135.04408	100.0
135.05348	7.0
147.04402	4.7
157.06540	10.4
173.05989	11.3
185.05981	37.4
187.07622	10.7
202.07901	6.3
203.08504	23.5
209.06085	12.3
215.07112	14.6
231.08011	22.4
234.54562	4.1
237.05562	10.5
246.06850	9.2
249.09113	8.1
251.24446	4.5
257.06805	3.8
259.07559	5.8
261.09161	20.7
262.06393	7.1
266.05710	25.7
267.06448	28.4
272.42078	4.3
274.06290	4.8
277.08664	10.8
279.06549	8.7
285.81534	4.8
289.08511	35.0
291.06863	4.5
307.09628	7.9
319.09613	30.8
324.78125	3.9
337.10870	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1068
Annotation	(+)-Hatomarubigin A
Peak:m/z	Relative Intensity
71.04967	10.5
72.40223	5.1
83.11638	5.3
104.71555	5.7
114.02474	5.9
116.52664	6.7
129.07016	14.2
135.04410	100.0
139.43500	5.8
144.30855	6.1
152.60043	7.4
173.05994	16.1
185.05962	42.2
187.07545	15.8
203.08569	36.1
209.05977	19.3
215.07063	11.9
219.07977	10.2
231.08095	10.1
237.05426	7.5
246.06578	8.6
247.07475	7.6
259.07391	8.9
261.09067	24.7
266.05759	22.6
267.06522	26.8
277.08640	11.2
279.06567	18.1
289.08563	48.6
307.09540	8.8
319.09753	21.3
337.10675	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	337.1068
Annotation	(+)-Rubiginone A2
Peak:m/z	Relative Intensity
76.29470	2.6
79.05487	5.1
94.53724	2.4
95.00912	2.3
105.03402	4.0
106.10940	2.1
123.70480	2.3
129.06984	19.2
131.04955	4.8
135.04411	100.0
139.05450	2.5
149.05952	6.0
157.06522	11.5
173.05991	2.8
185.05946	30.7
187.07576	9.4
190.07661	2.7
191.08553	6.9
193.18925	2.4
197.05975	4.1
202.07846	4.6
203.08517	24.1
206.76694	2.4
215.06955	14.8
219.08128	8.1
231.08058	17.2
247.07568	5.1
249.09097	8.7
259.07434	4.4
261.09113	19.1
264.00323	2.9
277.08594	12.0
279.06335	2.4
289.08511	18.3
305.48837	2.7
307.09738	7.3
319.09570	18.0
337.10681	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	337.1069
Annotation	Antibiotic CJ 12372
Peak:m/z	Relative Intensity
65.30779	4.4
74.74680	4.3
91.05479	4.9
103.26022	4.8
124.27209	5.1
124.76864	4.5
129.07033	15.7
135.04398	60.0
147.04379	6.7
149.02415	8.2
149.05945	6.0
157.06476	7.2
159.04366	6.3
185.05960	7.0
187.07518	9.7
191.08553	8.2
202.07797	15.9
203.08542	56.1
215.06947	6.4
219.07957	9.8
231.08026	51.6
246.06732	12.6
259.07642	8.4
261.09088	51.9
277.08545	6.7
289.08545	100.0
295.96109	5.6
298.52075	6.6
298.76331	5.1
307.09622	12.2
319.09567	71.4
319.12967	4.9
337.10657	39.5
359.94028	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	337.1067
Annotation	Antibiotic CJ 12372
Peak:m/z	Relative Intensity
55.64772	28.9
56.96548	39.6
83.59725	36.3
85.64491	33.4
90.73401	36.4
99.14700	29.9
135.04462	61.2
143.49947	34.0
159.04437	55.9
164.26759	34.4
185.06042	38.0
189.06902	59.3
226.01671	38.4
249.09035	41.7
261.09039	80.2
270.71945	41.5
287.06952	44.8
289.08673	40.0
306.36972	37.2
319.09772	87.1
320.83826	41.7
337.10757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1433
Annotation	Erypoegin B
Peak:m/z	Relative Intensity
91.05437	11.6
103.05500	9.6
105.20271	8.9
107.04955	36.7
119.04955	9.2
131.04895	15.8
135.04414	25.3
145.12437	8.4
180.83066	9.1
187.07585	11.4
203.08635	19.0
213.09267	11.3
231.08087	18.9
232.08780	15.9
247.07576	10.5
247.11197	17.8
261.09045	23.1
277.09045	13.4
289.08621	26.8
305.32132	9.9
319.09671	15.7
337.10599	10.6
337.14249	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92108	1.5
56.05032	3.5
56.96543	2.6
60.05627	3.7
60.52075	1.3
61.28091	1.1
66.86246	1.1
69.03409	1.3
70.06576	7.0
78.83644	1.4
86.03545	23.7
97.02883	3.5
98.97623	2.7
100.09018	1.6
123.04420	4.7
139.03894	28.8
140.00204	1.7
140.04279	2.3
141.46996	1.5
150.05507	3.7
158.08936	1.8
179.08282	1.8
203.08144	1.9
211.64644	1.5
217.09572	1.6
234.12344	100.0
236.18349	1.5
237.02679	1.6
252.13342	4.2
345.51276	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	337.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16570	2.1
56.05033	22.1
60.04524	3.3
60.05633	5.6
60.36269	2.2
61.69259	2.4
68.05011	2.9
74.06072	5.4
85.02887	3.5
86.03542	31.9
97.07675	4.0
100.01144	2.7
115.08672	20.8
132.08115	10.3
139.07573	4.6
150.05487	20.9
150.12852	4.6
156.81674	3.1
164.07001	2.8
171.90141	3.1
176.07031	21.7
210.30196	3.0
213.72592	3.0
234.12349	100.0
252.13405	45.8
273.01828	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	337.1642
Annotation	8'-Hydroxyzearalanone
Peak:m/z	Relative Intensity
52.71064	1.6
57.07069	100.0
60.48260	1.7
60.61385	1.9
67.74125	1.6
78.32407	1.9
85.02931	2.2
86.09701	11.8
87.10054	2.8
91.71031	1.9
120.08096	5.8
121.08377	2.1
122.81031	2.1
123.66877	2.1
128.06267	3.8
129.06989	2.3
143.08566	3.4
143.11833	6.0
145.06488	4.1
149.05946	2.3
166.08565	2.6
167.09204	2.0
171.08098	3.0
189.09181	3.2
191.07074	9.1
217.08549	12.0
235.09669	7.1
319.15274	15.7
337.16397	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	337.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	6.4
53.70516	4.4
55.01868	7.3
55.05502	12.2
57.03423	21.8
60.04512	7.5
65.29578	4.8
65.70427	5.5
67.05496	41.0
69.03418	15.6
69.07061	100.0
73.65924	5.5
74.18183	5.1
77.82375	4.7
79.05500	37.6
81.03399	9.6
81.07053	40.9
83.04945	6.2
83.08620	6.1
91.05468	47.8
91.70908	9.4
93.07034	35.1
94.70403	4.7
95.04957	10.6
95.08596	19.9
97.02879	21.5
97.06516	13.8
99.08110	6.1
99.80736	5.2
105.07027	18.3
107.04961	15.7
107.08598	18.1
109.10167	12.3
109.47768	5.4
117.07007	8.4
119.03458	7.0
119.08577	26.6
121.10141	27.5
125.47630	5.2
129.06943	6.4
131.08543	32.9
133.10127	18.2
133.27890	5.5
137.09703	5.9
143.07068	7.4
143.08609	7.0
145.10156	10.1
147.08080	10.8
147.11652	6.1
149.09656	22.9
171.06569	6.6
199.14774	11.1
212.03784	6.2
217.15834	13.4
229.64003	5.7
245.15521	9.9
315.32571	5.6
336.30234	8.9
337.20096	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	7.6
57.03419	6.0
67.05495	24.4
69.07047	10.2
75.18759	2.5
77.76875	3.3
79.05487	5.0
79.24426	3.0
81.07044	19.0
83.08613	7.7
86.78445	2.7
91.05466	7.2
93.07040	5.4
95.08588	13.4
97.10220	2.9
109.10160	6.4
116.98780	3.4
124.55997	3.2
204.09425	3.2
249.02858	3.3
277.21420	11.7
279.91248	4.1
337.23462	100.0
337.27243	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	337.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45926	9.0
54.48147	10.4
55.05496	33.7
62.40090	10.6
67.05493	91.0
69.07050	29.3
73.66695	11.0
79.05469	21.8
80.29528	9.7
81.07061	77.1
91.05475	54.8
93.07020	22.5
95.04966	11.3
95.08594	66.4
105.07011	36.5
107.04955	19.6
107.08565	14.2
109.10163	26.6
113.78025	12.3
117.07000	15.3
119.08578	18.7
121.06500	73.8
121.10152	20.3
131.04942	42.8
133.06474	23.8
133.10068	17.3
145.06500	16.5
147.08034	23.0
157.06532	30.9
158.31187	13.7
171.08014	25.4
185.09627	12.0
225.39420	12.2
266.58698	14.4
337.24799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2733
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
52.35412	2.9
53.15924	3.1
54.40379	3.1
55.05507	27.8
57.03428	8.6
57.07067	48.8
67.05499	63.7
69.07061	36.7
71.57964	3.4
79.05476	15.8
81.07050	57.7
82.55184	3.3
83.08618	19.4
90.35429	3.4
91.05481	14.9
93.07037	14.5
95.04971	5.5
95.08595	62.6
97.06525	4.8
97.10158	12.4
102.68439	3.7
105.07021	6.4
107.04948	100.0
107.08580	12.8
109.10146	21.6
119.08591	8.2
120.86387	3.8
121.06509	4.5
123.11707	7.2
127.11176	5.3
130.18727	3.8
133.06476	19.5
147.08044	38.0
193.64490	4.6
210.91148	3.9
219.31604	3.7
244.66130	3.9
248.22046	4.0
248.50597	4.1
319.26285	59.5
325.07648	4.2
337.27344	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	337.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	2.3
55.05509	34.5
56.47752	1.8
56.55649	1.8
57.03197	2.7
57.03429	27.3
57.07052	8.9
60.66021	2.3
65.03915	4.9
67.05496	100.0
69.07061	46.3
79.05476	14.2
81.07047	98.3
83.08615	23.2
85.06512	2.4
91.05487	13.0
93.07031	21.6
95.04977	2.7
95.08597	73.8
97.06516	5.4
97.10170	10.9
105.07037	10.8
107.08578	12.0
109.10155	19.2
111.08018	4.7
112.63195	2.4
119.08565	8.8
121.10148	10.2
123.11729	11.8
124.02533	2.2
125.09601	2.4
133.10146	9.4
135.11725	5.0
137.13277	2.8
147.11682	4.1
149.13274	4.2
161.13237	4.3
163.14838	4.0
184.87918	2.2
263.23712	9.9
265.63901	2.5
337.27322	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	30.0
57.03436	26.4
57.07070	3.2
65.03955	6.7
67.05496	100.0
67.05822	6.9
69.07059	67.5
71.08632	3.0
79.05493	21.9
81.07045	84.9
83.04996	3.4
83.08604	24.5
89.75262	3.1
91.05498	15.6
91.71292	13.8
93.07015	18.6
93.90555	3.5
95.05010	4.5
95.08607	58.8
95.09168	5.9
97.06574	4.6
97.10178	6.5
99.08145	3.4
101.09676	4.2
105.07078	13.4
107.08636	12.5
109.10146	22.5
111.08118	5.6
119.08639	9.2
121.10164	8.5
123.11762	6.7
133.10165	4.1
135.11784	7.4
147.11763	6.0
161.87213	4.0
164.32317	3.9
168.71129	3.9
256.96085	4.5
275.39941	4.0
337.23428	6.2
337.27390	80.1
337.31320	7.1
353.00079	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	337.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	4.1
55.05508	21.7
57.07083	4.7
58.55538	3.1
60.14426	3.1
60.68458	3.4
65.03938	3.6
67.05495	69.4
67.05825	4.6
69.07063	38.4
71.04989	4.1
77.82397	3.7
79.05479	26.8
81.07050	78.6
83.04962	4.5
83.08629	19.2
89.53928	3.5
91.05464	25.0
93.07038	37.0
95.04992	13.1
95.08601	53.7
97.06553	11.1
97.10175	11.8
99.90238	4.0
105.07018	22.5
107.04948	100.0
107.08612	13.2
109.06551	8.2
109.10199	19.1
109.31699	3.9
117.07018	4.8
119.08602	11.2
121.06554	12.0
121.10187	11.5
123.08110	10.9
123.11756	9.6
131.08553	8.2
133.06467	33.4
133.10135	10.4
135.11690	9.0
145.10164	8.8
147.08049	76.8
147.11571	6.0
151.11290	4.8
159.11743	4.8
161.09569	6.1
178.80623	4.2
218.82411	4.6
277.21674	11.1
278.21982	12.4
283.24362	8.0
301.25381	13.8
304.01889	6.0
319.26358	7.5
337.23517	23.7
337.29440	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	337.2736
Annotation	Subamolide C
Peak:m/z	Relative Intensity
50.71826	3.8
55.05509	36.7
57.03433	23.6
57.07079	9.6
65.73429	4.6
67.05498	100.0
67.05829	7.3
69.07059	42.5
69.07375	4.5
71.08614	4.5
79.05508	13.5
81.07051	84.3
83.08642	14.9
91.05506	14.6
93.07081	17.2
95.08604	80.8
95.09157	6.7
97.06532	6.1
97.10181	8.3
105.42111	4.3
107.08630	12.4
109.10159	27.6
119.08582	7.2
121.10192	10.5
123.11716	6.9
133.10181	8.7
147.11707	5.4
153.12723	4.8
161.13307	5.3
223.04016	5.5
231.74864	5.2
337.27359	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60959	4.9
52.37570	3.8
53.00294	4.2
53.03904	4.5
55.05500	36.7
57.03429	29.8
57.07057	7.9
61.54663	3.6
62.19979	3.6
67.05138	5.7
67.05492	100.0
67.31558	4.9
69.07061	47.9
71.08606	5.0
77.37955	4.1
79.05492	18.2
81.07047	94.6
83.08607	27.0
91.05486	18.1
93.07040	30.6
95.08603	78.0
96.05592	4.5
97.10147	18.3
105.07020	13.7
107.08614	8.5
109.09523	4.9
109.10134	34.2
112.16966	4.5
119.08591	9.4
121.10149	11.7
123.11713	13.3
123.59772	5.1
133.10152	12.1
137.13313	6.2
184.53781	5.2
185.45456	5.6
216.98457	5.0
263.23596	6.0
286.48251	5.7
303.81372	5.6
337.27332	96.7
356.18909	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	337.2737
Annotation	2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta,17beta-diol
Peak:m/z	Relative Intensity
52.52023	7.8
55.05501	32.8
55.91437	7.8
57.07043	12.2
67.05499	57.2
69.07061	46.6
79.05488	18.8
81.07040	49.0
83.08598	25.4
91.05487	11.4
93.07024	11.3
95.04943	63.3
95.08604	32.1
97.10179	13.6
101.09898	9.0
107.04934	100.0
107.08591	12.8
109.10171	15.7
113.05976	10.4
119.08565	19.6
121.10137	9.2
133.06482	22.4
133.10159	16.9
147.08058	19.9
161.09642	18.4
265.82755	12.0
301.25275	12.6
319.26279	30.9
337.27267	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	39.8
57.03421	25.8
65.03907	10.4
67.05493	100.0
69.07063	58.6
79.05471	18.5
80.42439	8.1
81.07040	86.6
83.08634	21.7
89.21616	9.4
91.05473	16.1
91.71574	15.1
93.07036	18.2
95.08595	79.6
97.10164	14.1
105.07012	18.1
109.10155	23.5
111.37298	10.7
119.08566	14.7
121.10160	11.6
133.10071	11.3
161.13319	13.8
273.90189	13.0
337.27356	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	338.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29585	1.5
55.06493	1.3
57.41003	1.5
60.08153	35.5
67.04234	100.0
67.75941	1.7
68.05025	2.2
71.99098	1.7
76.27159	1.7
79.40661	1.6
81.28152	1.7
91.71037	2.3
98.00598	10.0
99.01435	2.3
125.01689	91.7
126.02441	11.6
127.03249	27.1
134.62611	1.8
135.90472	2.0
141.00046	4.2
167.01685	2.3
195.04916	2.0
200.03979	1.7
201.00922	1.8
202.07352	8.8
218.06612	4.3
235.05322	79.2
241.08424	2.3
241.47697	1.9
282.10663	2.4
294.12665	68.6
327.67230	1.8
338.11673	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1231
Annotation	Indole-3-acetyl-beta-1-D-glucoside
Peak:m/z	Relative Intensity
51.47118	0.7
57.03422	1.4
61.02908	1.9
69.03411	4.5
75.19795	0.7
81.03420	2.2
85.02892	14.9
91.71668	1.0
94.21201	0.8
97.02890	3.6
109.02892	2.0
117.24895	0.8
117.77419	1.0
127.03886	2.1
130.06522	100.0
136.55162	0.9
142.84341	0.8
144.08064	9.2
145.04967	1.0
154.27727	0.9
171.09152	1.8
172.07590	9.2
173.49632	0.8
176.07056	41.7
177.59596	1.0
188.07147	1.6
192.73219	0.8
218.08147	6.5
274.10599	1.1
293.75803	0.9
304.10034	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	4.9
56.96545	2.2
57.03424	3.5
62.44023	1.5
67.05498	12.1
67.05813	2.3
69.07057	31.7
70.06580	3.7
71.04984	18.9
81.03402	2.3
81.07054	3.0
85.02892	6.7
85.06526	12.7
87.04442	2.9
89.74632	1.9
93.07029	2.7
95.08596	100.0
97.02883	2.9
99.04449	41.9
115.07562	64.2
123.08066	9.7
123.38243	2.3
141.09091	80.2
147.69368	2.1
156.10258	2.6
158.11588	1.9
159.10156	82.8
180.59959	2.3
200.12807	2.2
214.47993	2.1
236.77948	2.0
301.95853	2.0
302.89639	2.0
309.69977	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	338.3415
Annotation	CHEBI:69545
Peak:m/z	Relative Intensity
55.05494	39.4
57.07070	59.7
67.05480	25.4
69.07066	100.0
71.08621	42.4
72.08122	9.5
78.87897	9.2
79.05530	9.8
81.07042	42.4
83.08629	86.6
85.10197	19.9
86.09689	8.8
93.07038	9.7
95.08617	46.7
97.06524	21.6
97.10168	56.7
100.07597	19.8
107.08598	14.8
109.10130	14.3
111.08047	14.8
111.11732	28.2
114.09180	13.1
121.10133	23.4
123.11787	13.7
135.11682	13.4
148.78908	9.0
149.13304	18.8
170.15237	11.0
297.84720	12.0
303.30521	29.5
321.31509	33.4
338.34348	57.7
339.66058	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0861
Annotation	Antibiotic WS 5995B
Peak:m/z	Relative Intensity
56.96544	1.5
63.13611	1.7
65.03931	2.9
67.07376	2.0
93.14491	2.1
98.97558	7.9
102.43916	2.4
107.04964	2.9
108.23840	1.8
111.04429	2.8
115.05539	2.4
116.98618	6.5
121.02863	25.1
124.37054	1.8
134.99681	2.8
135.04326	2.5
140.00224	7.7
158.01263	3.5
161.06035	2.1
165.07071	3.3
169.61140	2.4
176.06239	2.5
178.07799	2.9
181.06534	4.1
194.07256	12.7
195.08099	4.6
205.06458	15.0
206.07176	2.9
207.07982	3.0
213.09091	3.0
219.08038	4.0
221.06020	5.5
222.06734	16.6
223.07599	6.4
233.05844	11.3
234.06743	8.3
237.09123	8.4
249.05536	5.7
250.06261	21.8
251.06969	12.5
261.05560	6.0
265.08676	9.4
269.08047	2.5
274.97589	4.4
277.08658	3.0
278.05713	56.6
279.06375	10.6
283.09616	10.3
289.59845	2.1
292.98807	4.1
293.08057	100.0
297.99103	6.3
306.05264	3.2
307.06128	4.4
315.99881	3.5
319.06137	6.3
321.07541	32.9
339.02008	4.1
339.08588	58.0
339.12393	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	339.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34060	4.5
59.02882	3.5
62.33828	3.5
67.17987	3.7
99.30719	3.8
108.83698	4.0
109.32767	4.2
115.93100	4.2
185.04410	5.2
275.48260	5.3
280.78366	4.6
315.18842	5.1
339.10461	100.0
352.25375	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	339.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97697	2.5
61.99424	2.3
64.43675	3.2
64.62701	3.6
70.47423	2.7
74.31277	2.8
79.77119	3.3
90.47595	3.3
127.09987	3.3
151.79547	3.7
155.82224	3.7
171.41910	4.0
186.67628	3.8
208.95018	3.8
339.10461	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25898	4.6
64.10714	3.7
64.69341	4.1
69.97001	4.0
94.29491	5.2
96.08892	4.3
137.06091	5.1
152.43640	5.1
155.73015	4.8
165.13641	5.2
257.46252	6.1
331.89734	5.3
339.10489	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
52.30029	0.4
59.71042	0.5
63.50910	0.4
65.03922	2.2
65.04235	0.4
67.88270	0.4
69.03391	0.5
71.57088	0.5
83.04975	1.0
91.05479	12.4
95.04927	0.8
102.28710	0.5
118.03914	0.5
119.04939	29.7
128.89159	0.6
137.17342	0.5
147.04407	100.0
147.82973	0.6
148.04724	1.3
165.05438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1225
Annotation	2-formylporphine
Peak:m/z	Relative Intensity
50.07894	3.9
56.96550	20.5
60.04509	10.6
67.05511	8.3
73.93248	4.2
77.56360	4.8
79.05489	5.9
79.37762	4.8
91.05452	8.4
91.70970	5.2
94.78548	5.4
95.04978	6.8
98.97585	50.2
103.05487	14.8
110.74213	5.0
116.98615	40.4
131.05000	6.5
134.99677	16.5
135.04430	16.9
140.00194	45.0
147.04445	6.2
158.01236	26.7
159.04419	76.0
165.06973	5.7
173.06017	7.4
181.02853	19.5
191.08617	17.8
202.07829	18.8
203.08543	31.8
203.54527	6.4
205.06461	8.1
207.08055	15.6
211.14404	5.8
213.05525	6.9
218.07330	9.0
219.08182	15.1
220.08931	7.8
231.08064	34.2
232.08965	8.4
234.06845	11.4
235.07616	9.7
237.09129	11.3
247.07607	14.7
248.08411	16.0
249.09109	17.1
256.96432	14.2
259.07480	31.8
260.08392	8.6
261.08951	6.9
261.39828	5.2
263.07077	13.0
265.08658	8.3
274.97583	19.6
276.07700	5.8
277.08737	7.2
278.09686	5.5
279.10071	5.7
281.11734	5.7
289.08496	7.0
291.10080	12.4
292.98575	11.4
297.99130	69.4
298.27347	8.8
307.09702	11.1
309.11191	65.8
316.00122	37.7
321.11328	9.8
338.26736	16.8
339.01773	32.4
339.12173	100.0
339.26935	11.5
350.23691	5.9
356.92236	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	339.1225
Annotation	(-)-Glyceollin I
Peak:m/z	Relative Intensity
56.96550	26.9
60.16690	5.3
63.03583	5.5
63.72131	5.9
69.10761	5.7
69.90349	4.9
69.95723	5.5
71.04980	7.6
88.20293	6.1
91.05431	6.5
91.70930	14.6
95.04942	5.7
98.97576	70.5
101.29310	6.7
116.98623	56.1
129.07011	11.4
133.10968	6.6
133.87265	6.2
134.98706	5.9
134.99652	23.3
135.04391	100.0
137.05974	41.6
140.00201	49.1
144.81868	7.2
149.06041	6.6
150.22534	6.3
158.01242	35.6
161.87096	7.8
172.05168	7.4
173.05975	7.7
175.07573	10.2
177.05452	7.4
181.02879	25.6
185.06053	14.6
187.07527	51.5
199.04062	7.0
199.15433	6.8
203.08624	20.1
209.05942	16.0
211.07620	9.5
217.08595	17.7
219.08044	14.7
225.05521	23.6
231.08028	17.9
238.06244	9.5
239.06998	12.6
242.31715	8.5
248.08261	14.6
250.42845	6.9
253.05005	8.6
256.96542	8.1
261.09134	10.9
268.07321	29.8
269.08026	42.2
274.97626	25.9
277.08704	10.6
281.07855	8.0
289.08405	33.4
291.10086	20.2
292.98651	16.2
297.99017	77.2
316.00052	33.3
321.11050	37.8
339.01831	27.7
339.12259	16.1
348.95441	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	339.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39488	1.3
53.00226	1.3
56.94994	1.3
56.96544	7.5
56.96789	1.3
67.05521	1.7
68.35409	1.3
69.39691	1.5
70.22913	1.7
71.18999	1.7
73.66843	1.9
79.05484	6.1
81.83153	1.4
82.45070	1.4
83.97263	1.6
91.05477	3.7
95.04966	3.9
98.14201	1.8
98.97585	15.4
103.05462	3.0
104.85895	1.5
105.07021	6.5
115.05434	4.7
116.98602	10.3
117.07063	2.8
119.08663	1.7
132.05687	2.9
133.06500	5.6
134.99646	7.2
135.04410	100.0
140.00214	11.0
145.06412	2.1
147.04375	2.7
147.08025	2.1
150.64386	2.1
155.04858	1.8
158.01242	11.2
159.08113	2.8
160.05298	3.0
161.05962	4.7
161.55579	1.7
166.60889	1.6
175.07561	21.0
178.12306	3.7
181.02808	10.9
187.07587	5.9
189.07007	3.1
190.07750	4.3
191.08527	14.3
202.07802	6.9
203.08598	8.2
219.08003	13.0
231.08073	5.2
232.08823	1.7
240.49077	2.0
247.07480	7.7
249.09070	13.0
251.10718	2.7
254.05687	1.8
255.98132	2.2
256.96289	2.5
259.07523	3.7
261.09341	3.0
274.97479	4.5
277.08591	13.2
279.10083	3.7
289.08505	4.3
290.09564	2.1
292.98602	4.5
297.99109	18.0
309.11118	11.5
316.00119	7.3
321.11404	8.0
339.01807	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	339.1226
Annotation	Rubiginone A1
Peak:m/z	Relative Intensity
55.01846	3.8
79.05502	8.3
91.05470	12.6
95.04966	5.7
98.97610	6.7
103.05462	5.3
105.07044	13.2
111.60712	4.6
115.05457	11.1
122.03671	7.7
129.06973	26.3
133.06479	8.7
135.01346	4.5
135.04408	86.4
137.05960	100.0
138.05168	5.6
147.04410	9.4
149.05891	5.2
153.74216	4.6
157.06499	13.7
161.05991	16.2
172.05135	6.6
175.07516	13.6
185.05901	41.4
187.07568	19.8
189.90205	6.2
190.07820	7.0
191.08583	13.7
202.07745	9.9
203.06279	4.9
203.08539	33.0
215.07007	15.8
218.07283	7.8
219.08054	20.2
231.07953	26.0
247.07585	9.5
248.08278	10.0
249.09149	18.5
261.09128	14.9
263.10715	15.9
275.07040	6.5
277.08740	15.0
289.08600	28.6
291.07117	8.2
291.10275	19.4
294.08771	7.8
295.69736	6.0
309.11227	25.0
321.11121	41.5
339.12234	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1226
Annotation	Rubiginone A1
Peak:m/z	Relative Intensity
52.57471	8.8
56.96550	14.3
63.22486	7.9
70.52118	9.9
71.04974	21.0
73.30179	9.5
85.02902	12.2
86.55499	8.6
87.91734	8.7
90.91065	9.4
91.05473	12.0
96.71403	9.0
98.97599	19.6
105.07020	21.4
116.98718	9.3
129.07007	41.8
131.05002	9.8
135.04422	100.0
137.05952	96.3
140.00209	21.0
157.06410	11.9
160.05202	14.6
161.05988	19.4
175.07520	15.9
181.02814	16.5
185.05914	55.4
187.07504	19.8
191.08551	21.6
203.08585	39.1
215.07077	21.7
219.08017	27.4
221.50392	10.0
231.08083	27.6
247.07698	15.0
259.07504	11.6
261.08981	15.2
263.10837	13.3
277.08563	27.9
278.49927	10.4
289.08630	21.2
291.10016	12.4
294.08707	11.0
297.99026	28.1
309.11084	22.4
313.96069	12.1
321.11252	34.8
339.01633	17.6
339.12173	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	339.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34661	6.1
55.01860	24.9
55.05510	55.9
57.03426	22.7
60.83471	6.0
61.48620	5.5
67.05503	53.1
67.11639	5.9
69.07064	53.4
71.04982	7.8
79.05490	40.4
81.07059	51.6
83.04987	11.2
83.08617	100.0
91.05489	54.3
93.07034	82.2
95.04946	28.1
95.08612	30.3
97.06513	8.6
98.95673	8.6
98.97572	26.4
105.07037	29.3
107.04974	21.8
107.08601	81.5
108.14570	7.1
109.06546	13.4
109.10162	14.0
111.04494	10.0
111.08083	23.7
116.98667	10.2
117.07003	50.8
119.08549	23.5
121.10173	21.0
125.09651	11.6
131.08588	31.4
133.10123	13.9
135.08080	23.7
137.09593	11.7
139.11113	7.7
140.00198	23.2
145.10143	29.3
149.09628	37.6
153.09079	11.8
158.01245	18.2
159.11711	14.5
166.73985	8.4
181.02841	12.7
201.03793	10.4
201.16380	20.0
205.96010	8.1
219.17465	37.0
224.76147	7.5
247.17046	17.9
265.18109	9.7
266.16953	8.2
274.97421	13.6
297.99170	21.5
302.65656	8.1
316.00174	13.2
339.01929	14.8
339.17679	22.9
339.21701	42.4
342.95499	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73889	3.1
53.03946	4.9
55.01860	11.9
55.05490	20.2
57.03423	17.5
67.05496	69.1
69.07056	40.6
71.04962	6.9
79.05475	46.1
81.03395	7.7
81.07037	63.9
83.04962	16.3
83.08615	4.9
87.06575	4.0
91.05469	59.6
93.07034	65.7
95.04951	21.5
95.08586	32.4
97.06534	11.4
105.07027	54.8
107.04932	26.8
107.08587	54.7
109.06492	19.8
109.10150	16.2
113.37960	4.5
117.07020	31.9
119.08564	46.9
121.06512	17.3
121.10140	45.0
123.08033	11.1
129.06999	12.0
131.08556	55.1
133.10143	39.4
135.08054	13.6
135.11697	19.9
137.05984	5.3
137.09666	5.5
143.08598	13.0
145.06480	5.7
145.10115	71.4
147.11673	10.7
149.09602	56.8
151.11180	16.7
155.08582	7.7
157.10074	5.9
159.11670	27.8
161.09637	11.3
161.13246	5.9
163.11162	61.9
169.10152	9.4
171.52774	4.8
173.09601	13.7
173.13287	8.5
175.11192	6.2
176.56483	4.4
177.16364	6.7
179.10701	13.9
187.11218	12.0
187.14816	16.9
191.10674	17.5
201.16428	22.6
205.12206	7.2
209.11632	6.5
211.14810	13.0
219.17439	39.4
223.81151	4.6
229.15823	34.6
247.16919	70.7
265.17944	61.5
293.84381	5.3
299.20096	5.5
313.11426	4.9
321.20514	83.7
339.21591	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05596	5.9
55.01867	11.5
55.05494	19.4
56.96561	7.9
67.05499	50.4
69.03474	6.5
69.07061	34.3
69.09216	5.6
71.05009	6.1
79.05482	45.1
81.03408	6.3
81.07055	60.3
83.04963	10.1
91.05472	44.2
93.07033	43.8
95.04969	17.6
95.08602	31.4
97.06535	9.2
98.97569	28.6
103.23202	6.0
105.07036	45.1
107.04945	22.1
107.08604	37.0
109.06544	7.9
109.10168	11.4
116.20228	6.5
116.98615	20.8
117.07030	26.4
119.08593	31.0
121.06479	14.4
121.10139	24.5
123.08035	7.8
126.73266	7.1
131.08578	43.9
133.10130	24.9
134.99704	13.6
135.04465	7.9
135.08072	10.0
135.11699	20.7
140.00203	19.2
143.08557	8.6
145.10158	51.7
147.08037	11.7
147.11642	11.8
149.09645	30.9
151.11235	15.9
155.08511	7.6
159.11636	13.8
163.11122	55.6
166.90698	6.5
173.09541	9.1
177.12733	8.9
179.10707	10.5
187.11221	8.6
191.10681	10.5
194.79462	8.7
201.16396	18.4
211.14792	7.5
219.17415	36.7
224.12402	9.3
229.15892	16.7
241.08070	7.9
247.16899	56.7
265.17999	28.9
274.97464	9.6
297.99188	24.4
315.99899	11.5
321.20789	49.6
339.01962	12.9
339.21588	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	339.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	3.2
55.01862	10.2
55.05500	15.0
56.96565	4.8
57.03437	19.5
65.81763	2.7
66.76781	2.7
67.05499	42.2
67.25048	2.8
69.03430	6.0
69.07066	32.5
71.04990	6.8
79.05489	35.6
80.37246	2.9
81.03406	5.1
81.07050	100.0
83.04987	9.0
83.08615	15.7
91.05476	36.5
93.07037	41.8
95.04958	12.2
95.08601	40.4
97.06545	8.8
98.97588	9.8
99.08102	3.5
105.07035	17.0
107.04984	10.9
107.08585	15.1
109.06514	23.3
109.10164	19.0
111.08089	5.5
116.98619	8.9
117.07014	9.0
119.08582	23.3
121.10168	19.6
123.08073	9.0
125.09663	3.9
129.07024	5.5
131.08568	16.0
133.10173	7.1
134.99527	5.3
135.08069	16.7
135.11835	3.6
137.09630	20.2
139.11266	6.7
140.00159	7.5
145.10150	5.7
147.11693	3.9
149.09654	16.0
158.01181	4.9
163.11246	9.0
165.09113	3.9
166.03714	3.2
167.10794	3.7
187.14899	4.1
201.16379	5.2
247.16946	10.0
265.17950	4.9
274.97632	5.9
297.99124	8.2
316.00406	4.3
321.20703	4.8
339.21704	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2892
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
55.05283	7.1
55.05505	61.4
57.03423	23.1
57.07061	32.6
59.30549	7.3
67.05488	46.6
69.07054	64.6
71.08607	14.9
73.10600	8.8
79.05491	12.2
79.59447	9.7
81.07043	55.6
83.08604	55.7
93.07021	19.9
95.08600	50.8
97.10168	25.0
107.08546	11.8
109.10161	10.5
111.11723	9.8
121.10133	13.2
135.04375	10.1
135.11751	10.8
245.87149	9.3
247.23985	10.3
270.37634	12.2
297.98746	17.9
321.24496	10.0
339.01611	14.6
339.28925	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2894
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03952	5.2
55.05504	54.9
57.03444	30.1
57.07079	25.5
67.05493	38.7
69.07056	76.4
69.07372	6.9
71.08633	13.2
79.05509	16.1
81.07059	53.5
83.08609	57.6
85.10216	7.6
93.07071	20.4
94.28653	6.0
95.08597	40.7
97.06551	7.2
97.10195	20.4
107.08648	13.6
109.10207	18.2
111.11725	7.8
116.98680	9.3
120.76711	6.5
121.10206	24.5
123.05627	6.5
135.11752	17.5
140.00206	9.1
149.13292	6.9
158.01295	9.7
165.37213	7.1
181.02855	8.2
185.39784	6.6
222.02432	6.7
227.03815	7.3
256.96597	8.1
265.25275	9.5
274.97552	8.5
297.99240	12.7
316.00180	13.0
329.04895	6.9
339.01767	8.6
339.28943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63647	8.1
55.05494	67.8
57.03417	21.8
57.07058	43.3
62.65302	10.9
66.86995	11.8
67.05488	47.5
69.04499	9.9
69.07054	75.4
71.08611	25.4
77.97050	10.0
79.05486	15.1
79.47600	10.4
81.07050	59.4
83.08591	52.7
93.07035	40.6
94.11586	9.7
95.08572	52.6
97.10161	27.1
106.60976	10.1
107.08569	11.6
109.10172	22.3
121.06570	10.8
121.10162	20.3
122.33208	12.5
124.28660	12.8
125.04858	10.7
165.12724	19.4
198.41478	13.1
297.99039	13.6
315.99936	18.5
321.24246	14.3
339.01474	22.2
339.28879	100.0
360.54529	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	339.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	70.5
57.03436	38.2
57.07066	31.4
67.05501	52.5
67.24624	5.8
69.07066	87.5
71.08624	37.3
73.57812	7.3
73.69086	5.7
79.05492	18.3
81.07059	57.1
83.08609	52.5
87.55717	6.2
91.05485	7.3
91.71645	10.7
93.07050	19.6
95.08608	53.9
97.06516	11.6
97.10176	25.1
99.08083	19.7
107.08625	24.0
109.10159	23.7
111.08061	8.3
116.98658	7.1
121.10149	19.4
135.11708	23.4
140.56598	7.9
149.13274	14.0
197.97583	8.1
240.47209	8.2
278.24402	7.3
281.24643	8.1
317.23138	8.3
339.28943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.282
Annotation	N-Oleoyl Glycine
Peak:m/z	Relative Intensity
60.04490	2.8
69.76014	1.7
71.75159	1.5
72.81304	1.6
73.50452	1.7
81.07041	2.3
81.13254	1.8
117.36864	1.9
119.04958	2.0
175.93860	1.8
189.67760	1.8
207.19330	2.0
213.33229	1.9
221.86461	1.9
230.72430	2.3
277.83359	2.7
284.24765	2.2
340.28168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1019
Annotation	Cornigerone
Peak:m/z	Relative Intensity
55.01864	21.3
65.03941	3.1
68.99727	3.6
74.80133	3.1
79.05457	4.8
95.04972	6.3
103.05461	4.9
107.04919	4.6
108.13589	3.7
111.48871	3.7
115.05424	9.8
130.04225	7.5
131.04906	6.6
135.04398	53.8
137.05972	21.5
149.64198	3.8
151.03873	4.2
155.04887	12.4
159.04413	16.5
160.05219	18.0
163.03912	24.9
165.07002	6.1
173.06073	5.5
177.03146	4.6
178.07828	9.6
179.08569	16.2
187.07538	8.5
189.07007	27.7
190.07747	28.9
191.08565	56.8
197.11981	4.2
201.06992	6.1
202.07800	10.6
203.08545	11.6
205.06612	5.0
207.08006	33.8
217.06450	16.0
217.08408	4.7
218.07242	14.7
219.08049	77.3
220.08580	4.6
221.06049	5.2
229.06357	6.1
235.07455	44.1
237.08936	5.1
245.05879	4.9
247.07504	70.0
249.09125	6.0
250.06314	4.7
257.47409	5.9
259.07578	22.8
262.06299	8.0
263.07028	12.5
265.08609	53.5
268.07428	4.9
275.07056	48.8
277.08575	27.9
279.10330	5.3
287.06998	10.0
288.07602	8.3
291.10172	7.0
293.07990	49.6
303.06720	5.1
305.08005	100.0
311.09216	32.0
317.51630	5.5
323.09067	17.9
323.12537	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	341.1019
Annotation	Paxanthone
Peak:m/z	Relative Intensity
56.96553	4.9
65.76175	3.7
68.00607	4.4
70.11416	4.8
79.05473	7.1
83.30448	4.3
91.05470	6.0
94.04155	6.2
103.05481	5.7
107.04938	6.6
122.03638	11.1
127.84134	5.1
129.07033	9.3
131.04906	9.9
135.04457	5.9
137.05965	100.0
137.06950	8.1
151.03873	5.8
157.06485	5.6
174.06752	9.9
175.07585	6.4
187.07486	27.2
189.09108	15.3
199.25842	5.1
203.08615	10.8
205.06490	5.5
207.07971	5.3
210.06699	21.5
217.08607	14.5
218.97231	5.1
219.08098	13.0
225.09129	10.3
231.08040	10.2
240.33134	5.8
248.08292	17.6
251.90945	5.6
253.08563	82.0
263.10699	14.1
267.10114	10.2
276.07809	8.2
277.08447	5.6
278.81189	6.6
279.10126	9.7
280.50507	6.0
281.08072	29.0
291.10129	30.1
295.09753	16.8
311.12781	14.1
323.09079	83.5
323.12854	24.0
341.10144	12.8
341.13831	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	341.1019
Annotation	CHEMBL1801783
Peak:m/z	Relative Intensity
55.01857	3.8
59.71493	4.4
65.03908	4.1
65.83514	3.5
79.05478	4.8
81.45179	4.3
91.05469	12.9
107.04974	24.6
115.05436	6.7
119.04942	16.3
121.02905	6.1
122.03650	8.9
122.09466	4.7
123.04456	4.6
129.06969	9.7
131.04936	8.0
137.05968	100.0
145.06491	4.6
147.04407	10.7
151.07439	4.7
157.06660	4.4
172.05153	7.2
174.06735	10.1
175.03964	4.8
175.07471	6.3
178.07907	10.3
179.08499	8.3
187.07558	30.3
189.07037	8.5
189.09059	12.6
190.24878	5.1
191.08484	7.0
202.07776	7.3
203.08510	11.9
205.06459	8.5
207.08090	21.5
217.08630	14.0
218.07233	5.5
219.07991	9.5
220.08910	5.9
231.08064	10.8
234.06781	26.8
235.07526	19.5
236.93327	5.3
245.05890	6.7
247.07603	12.4
248.08382	13.5
249.08989	10.1
251.10532	6.4
253.08588	11.6
262.06235	7.9
263.04120	4.7
263.06915	9.6
263.10693	16.6
267.10129	8.7
275.20123	4.6
276.07904	8.8
277.08551	24.9
279.10147	8.9
281.07947	7.3
291.10114	12.8
293.08368	5.8
295.09518	26.9
305.08124	5.4
311.12659	8.4
316.20496	4.8
323.09052	20.9
323.12750	20.1
341.10162	35.9
341.13919	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54627	3.0
75.87835	3.4
81.07053	9.5
91.05470	12.3
94.04200	4.7
95.04973	4.8
104.13124	3.4
107.04944	19.6
113.21751	4.6
115.05486	4.7
119.04929	10.5
121.02847	6.6
122.03683	6.3
123.04450	5.2
123.43103	4.0
129.07007	9.4
131.04918	5.5
137.05974	100.0
144.05692	5.7
147.04395	8.6
150.01086	4.0
157.06488	5.7
165.07024	7.2
172.05151	6.4
174.06735	9.4
175.07523	6.0
179.08650	6.0
181.06439	4.8
183.75563	4.7
185.98102	3.8
187.07504	23.4
189.07027	4.3
189.09097	15.6
202.07800	5.8
203.08546	9.3
207.08034	18.3
217.08557	13.7
219.08060	13.2
229.31277	4.8
231.08000	5.9
234.06779	12.4
235.07556	19.4
240.07941	4.2
240.23193	4.0
247.07576	7.3
248.08414	11.1
249.09232	4.9
253.08553	10.5
259.07422	5.8
262.06223	13.6
263.06906	7.4
263.10681	8.2
264.07739	4.7
267.10150	5.2
276.07806	5.7
277.08502	20.7
279.09909	10.0
280.07272	5.4
281.08081	5.9
287.31393	4.4
291.10092	24.8
295.09619	18.1
296.10403	5.1
305.08212	4.7
308.10266	4.1
311.12881	8.7
323.09094	18.5
323.12827	21.8
341.10165	30.6
341.13855	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76288	2.2
56.87679	2.6
64.54733	3.0
81.07037	4.1
81.79089	2.7
88.43340	2.8
90.33595	3.2
94.04158	4.9
103.05450	2.8
105.37042	2.9
109.06500	3.1
122.03641	6.9
129.07011	3.9
134.58330	2.8
137.05969	100.0
172.05174	5.6
174.06760	11.4
175.07474	3.6
187.07538	26.7
189.01993	3.5
189.09117	9.3
203.08556	6.2
217.08562	16.2
219.08069	8.2
220.08826	3.7
227.61705	3.3
231.07982	12.2
234.16096	3.6
247.07526	5.7
248.08328	15.3
251.10612	4.7
263.10617	11.9
264.07797	4.1
265.08658	4.3
276.07840	5.0
279.10098	10.7
291.10077	24.5
293.07767	3.7
296.10391	7.2
308.10416	3.8
311.12711	12.0
323.12888	21.2
341.13620	21.5
341.17212	3.3
352.27960	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	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
51.51211	2.2
61.89459	2.5
64.74518	2.3
94.04162	4.7
101.84743	2.5
109.06543	2.4
112.77942	2.2
122.03658	6.2
129.06987	6.0
131.04939	2.5
137.05965	100.0
144.05855	3.2
145.06491	3.7
145.09988	2.6
151.07550	4.1
151.54167	2.4
157.06505	3.8
162.92476	2.8
165.05444	2.8
172.05092	4.9
174.06746	10.8
175.07587	3.3
187.07515	27.8
189.09106	12.0
203.08505	8.7
217.08575	9.9
219.08041	7.4
223.16260	2.5
227.07063	3.0
231.08044	10.4
232.08759	3.5
233.09633	3.8
247.07378	4.4
248.08374	12.2
261.09030	4.0
263.10675	9.0
264.07727	3.5
265.08807	4.0
270.08871	5.4
276.07739	3.7
277.08679	3.5
279.10110	4.5
291.10104	22.1
296.10541	4.5
311.12735	12.0
323.12808	18.6
341.13882	14.0
357.82242	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
51.69778	3.6
62.09473	3.9
65.69362	3.6
70.91478	4.3
81.81318	3.7
98.85649	4.6
109.06535	6.2
122.03653	5.2
129.06970	7.0
137.05972	100.0
144.04694	4.8
145.70740	5.6
157.06494	4.8
168.59935	4.7
172.05229	6.0
174.06747	8.7
175.07614	4.9
187.07509	34.3
189.09160	13.1
196.47574	4.2
202.06244	4.4
202.07968	5.4
203.08543	15.3
217.08667	18.5
219.08034	9.1
231.08038	15.5
232.08984	5.7
248.08391	13.9
253.08801	4.6
259.07614	6.1
263.07584	5.2
263.10675	14.7
276.07632	8.1
291.10025	26.1
291.17075	4.6
301.91458	5.3
307.38080	6.2
308.10522	6.1
311.12759	13.1
323.12665	23.2
341.13770	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	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
65.03930	2.6
66.13263	2.0
79.05495	3.7
81.61998	2.2
87.71718	2.5
91.05479	9.2
94.04151	2.1
103.05488	3.4
107.04941	4.0
107.47337	2.2
109.06525	2.6
122.03655	7.5
122.73928	2.6
129.06990	8.1
137.05971	100.0
144.05731	5.8
147.32327	2.4
151.07623	4.4
157.06490	4.1
163.07549	2.8
172.05199	5.5
174.06757	11.6
175.07596	7.9
187.07524	36.0
187.76204	2.5
189.09131	12.2
191.08577	3.7
199.07692	3.8
202.07823	2.8
203.08549	13.5
211.07628	5.2
217.08542	21.5
218.07094	2.7
219.07939	12.4
227.07018	5.9
231.08052	13.0
232.08797	3.2
237.09187	3.0
239.07051	2.6
247.07571	5.9
248.08333	10.4
251.10803	5.4
253.08620	4.2
255.06493	5.8
259.07492	7.5
263.10709	15.0
265.08646	3.8
270.08859	9.8
271.09698	5.7
276.07767	7.5
277.08536	3.3
278.09109	3.1
279.10089	12.8
283.09692	3.0
291.10153	23.9
293.08136	3.7
296.10483	10.2
299.79510	2.5
308.10138	3.6
311.12750	12.6
323.12735	29.9
341.13699	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
58.62250	3.3
59.86486	2.5
91.05480	2.7
111.87950	3.2
122.03615	9.1
129.07019	6.8
137.05968	100.0
151.07471	4.9
157.06500	7.4
174.06755	6.9
175.07565	6.0
176.07619	3.2
187.07477	26.5
189.09094	10.6
203.08582	9.2
217.08649	13.2
219.08141	4.7
231.08109	9.3
247.07552	6.3
248.08318	10.9
258.07227	3.6
259.07608	4.1
263.10617	12.6
270.08823	3.5
276.07816	6.6
279.10217	6.4
291.10080	22.6
293.08127	4.4
296.10382	6.2
311.12830	10.6
323.12650	22.5
341.13788	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
50.82944	2.3
94.04124	5.3
117.52519	3.1
120.02888	4.1
120.55202	3.1
122.03669	9.0
129.06996	9.1
137.05968	100.0
144.05710	3.9
174.06790	10.3
175.07599	3.9
187.07533	24.8
189.09067	15.7
199.07396	4.0
202.07719	4.8
203.08516	11.2
215.26038	3.3
217.08565	11.8
219.08183	5.8
231.08104	11.8
247.07466	5.1
248.08351	13.1
251.10564	4.9
263.10657	13.4
276.07715	4.4
279.10242	10.2
291.10141	22.0
292.03583	3.3
311.12723	12.0
323.12808	31.0
341.13806	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	341.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68115	2.6
60.76414	3.4
69.44188	2.4
107.88737	3.3
109.06541	3.1
122.03656	7.6
126.90724	2.7
128.06242	5.1
129.06981	10.1
137.05972	100.0
146.07397	3.2
151.07530	3.4
157.06419	5.0
172.05228	3.6
174.06754	11.4
175.07556	3.7
187.07506	28.1
189.09116	11.6
199.07614	8.4
202.07744	5.1
203.08556	13.2
217.06660	3.4
217.08492	17.8
219.08063	9.4
220.08734	3.9
231.08092	11.5
247.07556	6.5
248.08348	12.7
251.10732	8.1
263.10663	9.8
265.08630	3.7
268.07059	3.5
270.08896	6.6
276.07703	6.0
279.10199	9.6
291.10141	24.8
293.07935	5.4
296.10321	7.5
297.57126	3.5
311.12643	14.9
323.12744	25.0
336.52795	3.2
341.13809	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	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.05504	3.8
58.78133	2.9
59.76484	2.9
79.00298	4.0
85.71619	4.2
94.04160	5.5
103.05531	3.4
112.62160	3.6
121.87124	3.9
122.03642	10.4
129.07002	8.0
131.04964	7.1
133.14769	4.0
137.05975	100.0
147.08298	5.0
157.06563	4.6
159.04332	3.7
174.06734	10.1
175.07590	5.0
187.07523	26.4
189.09076	17.0
203.08568	12.0
217.08629	12.3
219.07996	10.0
220.08943	6.2
231.08087	8.6
231.41731	4.5
247.07596	6.5
248.08426	12.9
261.55753	4.5
263.10764	14.8
265.08569	4.5
276.07855	6.2
279.10349	10.9
291.10123	28.7
293.11780	5.0
296.10541	9.1
311.12799	13.6
312.80325	4.3
323.12744	26.8
341.13861	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	Crotin (chalcone)
Peak:m/z	Relative Intensity
55.03500	2.4
59.85551	2.7
81.07038	14.2
91.05473	3.3
91.95149	2.8
103.05480	3.6
122.03642	7.7
123.04420	100.0
126.20504	2.8
129.07004	6.3
135.04449	15.0
136.81747	3.7
137.05969	71.5
143.04950	4.1
149.02364	12.1
174.06734	7.7
175.07571	9.5
179.84235	4.0
187.07455	17.4
189.09091	8.2
203.08539	8.9
217.08609	11.6
219.08118	4.7
231.07993	10.9
248.08220	7.8
251.10512	3.6
263.10605	9.7
264.07892	3.9
266.05859	4.2
279.10190	7.7
291.10056	14.6
311.09351	5.2
311.12857	10.8
323.12744	17.7
341.10168	20.9
341.13947	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	341.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07718	2.3
58.20595	1.9
69.03455	2.5
79.05502	3.9
91.05455	3.5
94.04199	4.7
102.83895	3.1
105.07053	3.7
108.35487	2.6
109.06593	2.8
122.03677	6.7
123.04433	5.0
129.07036	4.2
135.04515	3.1
137.05972	100.0
161.05978	7.2
174.06822	6.0
175.07504	17.3
181.43387	2.9
187.07571	16.0
189.09184	5.9
190.07835	3.4
191.08673	6.8
199.07722	4.5
203.08582	6.1
217.08678	8.7
219.08185	10.3
220.08879	4.6
223.20468	3.1
231.08159	5.7
236.08505	3.7
247.07735	7.8
247.62172	2.9
248.08434	8.8
251.10796	6.7
261.26270	3.0
263.10715	5.1
276.07819	6.4
279.10281	8.0
291.10123	14.3
296.10474	5.1
311.12885	12.2
323.12851	11.3
341.14078	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.2
56.97890	2.2
67.78358	2.4
70.06569	3.5
72.38364	2.3
77.08691	2.6
81.07055	3.0
86.09712	3.0
91.05475	12.1
92.58994	2.9
94.04182	6.1
95.04955	4.5
103.05453	4.9
105.07040	26.7
106.52864	2.3
114.88622	2.7
115.05439	9.6
119.04923	3.3
119.08588	4.9
122.03662	9.9
128.06264	3.0
128.24776	3.2
129.07014	5.5
131.05003	3.4
132.05617	3.2
133.06514	15.7
137.05980	100.0
147.04410	10.2
147.08044	4.5
159.08055	4.1
160.01413	2.7
160.05203	3.2
161.05974	26.1
172.05202	5.6
175.07527	34.8
187.07463	23.5
191.08582	9.2
199.07631	5.0
203.08635	3.7
217.08528	4.1
219.08038	13.0
223.78271	2.8
231.08005	4.2
234.23727	2.8
251.10587	17.9
261.08969	3.1
279.10092	13.0
311.12814	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	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
56.96553	3.4
71.04978	5.2
73.11309	1.8
83.46710	1.8
85.02887	2.2
91.05471	2.7
94.04164	3.2
109.06473	3.3
111.04402	2.4
115.05393	1.9
122.03639	6.7
128.06288	2.6
129.07048	5.9
131.04932	5.8
133.02867	5.8
137.05971	100.0
144.05679	3.8
149.06001	1.9
149.73628	2.3
151.03860	2.7
151.07524	3.7
153.05484	2.8
157.06480	5.8
160.05199	3.8
163.07591	2.1
172.05202	5.9
174.06790	6.4
175.07553	15.2
187.07541	32.1
189.09036	11.6
191.08653	2.5
196.05217	4.9
197.06177	2.6
199.07513	2.6
202.07709	3.2
203.08455	9.1
211.07530	15.7
212.04762	3.4
217.08569	11.0
219.07912	10.4
220.08846	5.0
227.07068	13.3
231.08083	14.7
232.08798	3.8
239.07109	7.9
240.07741	6.0
247.07527	5.0
248.08279	18.7
251.10791	2.7
255.06482	15.1
256.07382	4.7
259.07425	3.2
263.10605	13.7
265.08755	3.3
270.08859	27.5
271.09625	21.6
276.07953	6.7
279.10272	9.0
283.09680	6.2
291.10071	37.2
292.10901	3.4
293.08185	4.9
296.10254	4.4
306.48297	2.3
308.10590	6.1
311.12738	7.6
323.12704	29.4
341.13770	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	341.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96532	3.0
63.23395	2.8
65.03924	3.2
70.06589	12.7
71.04978	3.7
81.07086	4.2
81.92431	3.4
84.04469	3.8
86.09706	5.0
95.04964	4.9
103.05489	5.0
107.04932	4.6
109.06597	3.8
122.03661	10.8
129.07021	8.7
129.10245	4.6
131.04947	6.9
137.05968	100.0
144.05713	4.1
147.04411	3.6
147.60341	4.1
151.07542	4.7
159.03137	3.9
172.05222	8.6
174.06789	11.6
175.07518	9.0
187.07544	39.4
189.09145	14.4
202.07764	4.9
203.08571	12.2
217.08612	14.9
219.08124	10.1
220.08803	3.9
227.07074	6.5
231.08089	7.6
233.06033	4.9
237.34375	4.1
242.70055	4.3
247.07448	8.2
248.08240	10.1
251.10660	6.9
255.06566	4.3
259.07553	7.9
263.10690	14.7
270.08963	12.5
276.07779	9.1
279.10275	12.8
281.08200	4.6
291.10101	27.5
293.08090	5.1
296.10538	5.2
296.71942	5.0
311.12854	15.9
323.12781	27.6
341.14032	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	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
54.05792	3.7
65.57536	4.5
77.71012	4.5
78.23827	4.6
80.23025	4.1
80.33069	5.1
91.71668	6.9
103.55998	4.8
122.03658	10.1
129.07040	5.6
137.05008	10.1
137.05966	100.0
149.02336	14.8
151.03896	5.3
151.07500	7.2
157.06511	6.9
172.05185	6.2
174.06743	7.3
175.07579	9.2
187.07526	43.2
189.09076	10.5
196.05264	6.5
199.96164	7.5
203.08618	13.1
211.07474	5.4
217.08617	17.9
219.08199	7.7
220.08861	7.9
227.07063	10.9
231.08017	12.6
234.77791	5.2
239.07033	6.1
240.07719	7.2
248.08325	16.5
255.06439	7.0
263.10696	18.5
265.08459	7.0
270.08896	23.2
271.09598	20.0
283.09293	6.2
291.10129	24.8
311.12741	8.3
323.12872	32.4
333.16129	8.0
341.13837	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34018	2.8
65.53183	3.4
84.88966	4.2
91.05479	8.0
93.41466	4.3
97.10228	4.2
107.04930	5.0
122.03642	10.6
129.06993	12.9
131.04919	4.9
131.62079	4.2
137.05980	100.0
137.06950	8.6
144.05719	8.7
144.11298	4.1
154.16284	4.2
159.01640	4.4
160.05229	9.6
165.07013	4.7
172.05231	5.3
174.06767	17.4
177.06976	9.2
178.04988	19.8
179.05286	27.2
181.06439	4.8
187.07518	39.9
189.09103	14.3
191.08604	5.8
194.34848	4.3
199.07475	4.3
203.08569	12.0
205.06453	17.4
213.33527	4.9
217.08638	18.1
219.08052	8.7
220.08812	5.9
221.05995	9.7
223.07576	40.8
227.07100	9.2
231.08171	12.9
233.06039	11.1
248.08299	9.1
249.05435	6.6
251.06947	27.3
253.08768	5.5
255.06581	5.1
263.10641	15.9
265.08673	10.4
269.07956	20.7
270.08914	12.8
271.09631	10.7
276.07825	9.8
279.10156	10.6
291.10062	32.6
293.08105	5.1
295.06161	10.4
311.12845	15.6
323.12720	38.0
341.13864	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	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
60.06220	2.6
73.36244	2.7
82.36118	3.0
94.04199	6.0
121.06451	2.9
122.03696	10.0
128.06252	3.5
129.07053	5.8
131.04982	3.5
137.05971	100.0
141.49765	3.3
145.94875	3.0
172.05212	4.6
174.06766	7.9
175.07574	4.8
179.03465	7.5
187.07643	15.4
189.09169	9.3
203.08629	10.3
217.08664	12.6
218.33932	3.5
219.08139	7.4
231.08096	7.7
233.09914	4.1
236.05356	3.7
247.07469	7.1
248.08459	11.0
259.07642	3.7
263.10840	10.3
276.07867	4.8
279.10272	9.6
281.08411	5.6
291.10034	26.5
296.10535	6.4
311.12854	8.0
323.12714	23.0
341.13885	20.0
362.02740	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	342.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88040	1.2
62.71589	1.4
66.98083	1.2
70.06580	2.6
82.22958	1.3
82.99749	1.2
104.84976	1.6
106.88371	1.5
110.07127	2.4
135.93359	1.5
180.06308	100.0
183.93335	1.5
221.08902	2.9
296.58521	1.5
306.71939	1.8
342.11636	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23078	0.6
51.36477	0.4
53.03936	0.5
53.80708	0.4
56.96549	0.6
57.03417	0.6
57.07065	0.6
60.05643	0.4
60.08142	1.7
69.03407	0.9
70.06580	0.6
81.03397	0.7
85.02887	2.5
91.05469	3.4
92.22660	0.5
93.07029	8.3
95.04939	2.2
97.02883	0.7
103.05464	4.1
118.06514	0.6
121.06493	100.0
122.06878	0.6
137.05963	0.8
138.06331	0.6
165.07834	5.5
176.85892	0.5
180.10190	11.7
180.13754	2.3
198.98445	0.9
219.04947	0.7
222.00108	2.6
254.76382	0.7
301.01617	1.3
302.04044	0.7
342.03906	1.3
342.15421	2.8
342.19073	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	342.191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04469	0.6
51.00953	0.7
52.34093	0.7
53.66805	0.6
60.08141	0.8
64.47663	0.7
69.03433	0.9
85.02908	1.1
86.07864	0.9
91.05500	3.5
93.07031	7.1
93.60272	0.7
95.04961	1.5
103.05472	5.2
115.04526	0.8
121.06497	100.0
165.07916	3.3
180.10233	6.1
180.13838	2.3
193.27126	0.8
342.15451	1.4
342.19070	27.3
342.23117	1.4
358.79077	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63194	0.8
60.08167	1.1
69.03407	1.2
85.02909	1.3
91.05434	4.8
93.07037	9.3
93.07471	1.0
94.72215	1.0
95.04990	3.0
98.14537	1.0
103.05499	4.2
118.06556	1.0
121.06493	100.0
180.10306	1.9
180.13855	2.5
342.19092	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	342.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07049	3.4
58.06594	100.0
60.04523	2.6
63.17431	1.3
65.03341	1.1
67.05486	2.9
67.49093	1.3
69.02590	1.4
69.07060	1.9
70.06579	1.6
79.05465	2.0
81.07054	18.8
84.08130	6.5
95.08620	2.5
100.62392	1.3
101.61845	1.3
104.30086	1.3
108.94036	1.2
115.15806	1.4
117.70818	1.4
119.35518	1.4
121.10057	1.6
123.11716	12.3
137.05949	3.2
140.14340	7.6
198.46655	1.7
238.67088	1.5
259.41455	1.6
342.26382	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	1.2
56.96548	1.7
57.07072	2.2
58.06594	100.0
67.05482	3.6
69.03419	1.2
69.07045	2.5
70.06569	4.2
77.21483	1.1
81.07047	16.2
84.08124	7.7
95.08595	4.3
123.11671	11.2
140.14339	6.2
163.55261	1.1
169.39236	1.3
184.35136	1.3
196.01161	1.2
196.17522	1.3
223.96982	1.5
230.94324	1.3
342.26364	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	342.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87909	0.8
56.96544	1.9
57.07069	12.8
57.55025	0.9
58.06586	2.2
62.06088	5.6
71.08624	6.6
72.08124	2.9
72.31773	1.0
78.03455	1.0
80.70585	1.0
82.97262	1.0
84.65562	0.9
85.10164	1.0
89.31321	0.9
91.71563	1.1
109.71388	1.1
113.23652	1.1
132.11227	1.0
173.79211	1.1
173.80666	1.0
174.18547	6.8
185.88918	1.0
201.06146	1.3
212.23747	1.9
230.24771	4.8
239.83749	1.1
265.47552	1.1
316.30728	1.1
324.36163	1.4
342.37271	100.0
343.37466	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	343.0811
Annotation	Platycarpanetin
Peak:m/z	Relative Intensity
50.93067	1.6
51.03701	1.7
51.40762	1.9
52.10958	1.6
67.57771	2.2
69.49366	2.1
83.86089	2.2
85.08577	2.4
87.00757	2.9
91.05484	2.5
121.06496	12.5
137.06010	3.7
139.05493	3.0
140.06230	2.8
151.03928	7.7
152.06230	6.1
153.06995	6.7
157.41206	2.8
159.01143	2.3
165.06911	4.0
168.05716	20.2
169.06538	2.9
175.03870	16.5
181.06465	4.1
182.07324	5.6
183.08025	43.5
185.05946	4.9
188.82849	2.5
196.05237	13.1
197.05931	5.8
200.08403	5.2
210.06757	5.8
211.07536	52.8
212.08292	4.6
213.05511	13.0
224.04654	8.4
225.09010	2.4
226.06224	3.6
227.07054	3.2
228.07782	6.2
239.06989	47.9
240.04094	2.5
240.07802	2.9
241.04947	4.1
243.10141	41.6
243.12523	3.6
252.04219	3.0
253.08557	5.5
255.06531	4.6
256.07230	13.5
267.06580	9.7
270.08939	2.6
271.09537	3.1
282.05200	4.7
283.05984	12.2
287.09091	2.7
297.07526	4.9
299.09088	66.4
310.04572	2.9
311.05463	4.8
325.07300	13.2
343.08102	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01940	1.7
64.31750	1.7
65.03929	1.9
67.05484	2.5
78.86646	1.8
106.66844	1.9
135.04402	3.1
137.05986	4.0
148.05173	7.3
151.03899	45.1
151.05074	4.8
177.05469	5.6
191.06985	5.0
241.05084	3.4
256.07233	4.1
267.06406	3.7
283.05832	2.7
283.09323	2.8
284.06802	9.5
298.08536	3.2
299.08978	4.4
311.09235	5.8
343.11713	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1175
Annotation	Cerrosillin
Peak:m/z	Relative Intensity
60.01940	1.7
64.31750	1.7
65.03929	1.9
67.05484	2.5
78.86646	1.8
106.66844	1.9
135.04402	3.1
137.05986	4.0
148.05173	7.3
151.03899	45.1
151.05074	4.8
177.05469	5.6
191.06985	5.0
241.05084	3.4
256.07233	4.1
267.06406	3.7
283.05832	2.7
283.09323	2.8
284.06802	9.5
298.08536	3.2
299.08978	4.4
311.09235	5.8
343.11713	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1175
Annotation	UWM6
Peak:m/z	Relative Intensity
50.75504	11.6
53.75164	11.2
53.87943	14.6
65.03931	13.3
76.47278	11.5
91.05426	18.9
115.05482	18.4
115.72366	13.3
121.02880	22.7
137.05940	86.8
151.03983	19.5
175.07582	15.8
177.06932	18.8
194.07300	31.2
201.05472	39.4
205.06505	39.9
218.76840	13.9
221.05992	19.8
222.06841	34.0
233.05974	31.0
237.09146	51.4
239.06990	15.9
250.06238	31.0
252.54250	14.1
265.08569	100.0
278.05908	14.6
292.07358	31.2
293.08136	76.3
297.11340	25.5
307.09625	71.1
325.10623	96.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51124	1.8
63.54048	2.1
66.65244	2.0
70.69557	1.9
70.93504	2.1
76.05592	1.9
82.03334	2.0
88.80482	2.0
109.32980	2.4
118.54728	2.6
123.00300	2.3
238.37146	2.1
343.13571	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	7.3
68.97051	2.0
70.36302	2.0
79.05467	4.6
81.03406	2.6
94.04169	4.8
95.04970	2.6
97.02868	3.3
101.77911	2.2
103.05489	5.0
105.07017	65.6
122.03637	7.5
133.06474	100.0
133.94115	2.3
137.05965	91.2
151.03877	4.5
164.01653	4.2
165.09106	43.0
181.04936	3.5
220.53796	2.3
241.85477	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2113
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
51.30801	10.8
55.05503	32.7
61.65498	14.3
62.30061	12.8
66.11105	13.2
67.05491	66.8
71.35141	12.8
79.05475	20.4
81.07031	36.2
83.08566	14.3
85.06535	17.0
90.36317	12.6
91.05453	24.1
92.42146	12.1
93.07051	19.2
95.08594	41.1
96.59926	13.7
97.10164	29.7
97.50259	12.8
107.08581	15.6
109.10170	17.7
115.31882	15.7
122.14544	14.7
125.09615	19.9
131.24763	14.0
168.29204	14.8
179.10625	37.0
189.35233	14.5
197.40233	16.8
202.47406	14.1
223.69348	14.5
243.17430	25.2
261.18439	42.1
289.17953	67.7
307.19049	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26692	8.4
53.26741	10.5
55.01881	13.2
55.05502	39.8
56.54487	9.4
57.03445	11.9
57.07060	37.0
62.16219	11.3
67.05498	99.1
67.72800	10.3
69.07064	22.4
79.05489	37.3
81.07044	97.3
85.10172	54.0
88.94956	10.0
93.07063	29.0
95.08607	100.0
96.49505	11.2
105.07031	23.8
107.04958	67.1
109.10159	47.1
113.09649	41.4
121.06515	25.3
128.06232	12.7
131.04880	13.1
133.06474	71.6
135.04381	17.7
139.44452	11.9
145.06479	73.3
147.08040	65.7
151.03922	34.1
157.06598	18.2
159.08025	23.6
161.05960	25.8
161.09612	24.2
171.08066	47.4
191.07031	13.9
197.09618	23.6
231.13815	23.0
251.86362	12.9
273.50275	13.3
291.42877	16.6
325.21594	33.9
343.22662	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.04014	2.2
54.15182	2.7
55.05497	7.9
57.07061	3.1
67.05496	94.6
69.07041	10.1
79.05484	13.9
81.07050	100.0
83.08617	6.5
87.62402	3.0
91.05471	13.2
93.07042	18.9
95.08600	75.6
97.10144	4.0
105.03396	7.1
105.07027	10.6
107.04971	7.6
107.08583	11.2
109.10152	42.6
117.06992	6.2
119.08567	8.2
121.10139	8.7
123.11694	19.2
133.06499	13.3
135.11714	7.6
137.13245	7.4
145.06506	9.2
147.08029	16.0
149.13210	4.9
151.03896	50.3
151.14818	3.8
153.89975	4.0
159.07970	3.4
161.09709	4.9
161.13206	4.4
165.12820	3.0
172.47356	3.2
175.07387	3.0
177.05498	7.6
191.07002	20.1
205.08667	6.5
212.25441	3.2
247.13248	3.9
251.68425	3.5
281.95132	3.1
307.20831	4.3
325.21655	20.3
343.22528	29.6
350.31885	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
55.05501	23.9
56.96553	18.9
57.03423	13.7
57.07060	34.6
67.05497	74.3
69.03411	13.4
69.07060	19.3
69.93404	8.7
71.04981	36.8
72.78015	8.7
74.53248	9.6
78.01962	8.8
79.05483	25.4
81.07050	57.9
85.06563	14.2
91.05468	34.0
93.07028	70.4
95.04955	61.5
95.08601	100.0
97.06521	13.7
105.07025	68.0
107.04957	33.1
107.08596	46.7
109.06548	12.8
109.10184	21.0
111.08043	12.5
117.07036	28.5
119.08578	23.8
121.10146	23.3
123.08022	14.7
123.11720	16.0
133.06496	42.8
133.10135	11.9
135.08084	18.8
143.08543	14.3
145.06465	33.4
145.10077	50.1
147.08067	25.3
151.07567	37.0
159.11702	11.7
163.11174	32.6
173.09561	12.1
225.12959	9.9
280.27960	11.3
280.70251	11.8
292.90384	12.5
325.21643	13.4
343.22501	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	343.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64504	7.9
55.05503	12.0
57.03421	13.0
57.07068	17.4
67.05489	44.5
69.03410	9.2
71.04974	16.8
79.05497	13.2
81.07034	49.4
83.08599	11.7
91.05472	34.5
93.07040	70.9
95.04945	62.2
95.08600	100.0
97.06519	13.7
105.07025	90.2
107.04924	15.1
107.08614	53.3
109.06536	18.3
109.10161	11.8
113.68712	9.5
117.07017	25.6
119.08619	19.8
121.06454	21.5
121.10139	20.0
123.08089	18.4
133.10136	17.3
135.08052	28.3
135.11737	13.7
143.08540	12.0
145.10095	58.7
147.07999	13.9
151.07530	37.3
163.11195	60.6
165.09036	14.8
221.15480	26.6
233.18341	11.4
255.50604	12.1
311.69095	12.6
343.22754	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	343.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	10.1
55.05507	17.2
57.03444	10.9
57.07074	8.7
67.05492	58.9
69.03436	14.0
69.07066	16.9
71.04997	16.4
72.48483	7.2
72.86268	7.7
73.03974	7.7
79.05523	29.2
81.07044	62.9
91.05472	40.8
91.71139	17.1
91.71605	11.8
93.07030	97.3
95.04948	56.6
95.08596	100.0
97.06544	14.2
105.07024	79.1
107.04999	16.6
107.08594	58.3
109.06509	13.6
109.10183	10.9
117.07060	26.2
119.08616	30.9
121.06544	16.9
121.10185	39.4
123.08103	29.8
130.07849	15.8
131.08612	11.8
133.06531	13.6
133.10118	21.5
133.73741	10.3
135.08098	23.6
135.11745	26.2
143.21823	8.9
145.10143	67.4
147.08023	10.7
147.11768	9.2
149.13365	10.1
151.07584	40.3
157.10249	9.9
159.01888	8.0
159.11771	9.6
163.11212	41.3
165.09123	19.9
175.64714	8.7
221.15431	24.9
325.25082	14.4
332.01459	12.7
343.19202	12.4
343.22733	57.6
343.26431	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	343.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	40.1
55.80472	9.0
56.96575	9.4
57.03438	39.7
57.06832	8.0
57.07067	50.2
62.37471	8.4
67.05513	45.7
69.07056	71.5
71.08639	21.3
76.10860	10.5
79.05505	22.9
81.07045	64.9
83.08628	40.5
91.05521	11.5
93.07057	36.8
95.08598	61.1
97.06563	17.6
97.10209	34.5
107.08606	23.6
109.10181	29.4
111.08116	15.4
121.10176	38.2
129.29193	10.8
135.11711	23.8
137.06010	19.9
139.11206	10.6
149.13316	18.0
171.06621	9.6
179.10893	11.6
205.19659	17.3
223.20679	17.4
266.05032	13.2
287.22296	46.9
343.24777	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90749	10.0
55.05499	45.8
56.96562	11.0
57.03421	29.9
57.07057	41.2
67.05481	48.0
68.35229	9.4
69.06779	8.3
69.07063	90.0
71.04951	8.8
71.08605	18.9
79.05486	23.0
81.07029	73.8
83.04981	10.6
83.08593	52.3
85.10155	9.9
93.07041	35.6
95.08599	48.2
97.06541	20.0
97.10162	21.4
104.68462	10.2
107.08591	20.5
108.34811	10.8
109.10147	31.1
110.06767	9.4
111.08075	15.5
116.98604	10.2
121.10156	21.5
121.41652	10.4
123.11669	15.0
133.10083	13.1
135.11678	30.8
139.11189	15.0
152.28062	11.1
195.72896	12.7
205.19626	12.0
223.20477	19.2
257.10715	11.9
287.22256	56.9
317.92380	11.7
343.00873	16.8
343.24774	100.0
354.62424	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.1
57.06799	1.0
57.07066	14.0
58.06584	3.9
59.78746	0.7
67.05497	2.1
67.39317	0.8
69.07051	0.9
71.08621	8.5
81.07049	3.2
83.08623	2.0
85.10184	5.2
95.08593	6.7
95.39025	0.9
97.10152	1.3
99.98370	0.8
109.10152	3.9
160.33983	0.9
183.17438	2.6
240.23189	100.0
290.88489	1.0
337.95538	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65703	13.1
55.05490	31.2
55.11068	15.9
61.89055	14.5
62.79266	14.2
67.05484	62.8
69.07069	22.2
71.04970	19.6
81.07036	85.7
81.21291	16.0
83.08587	29.7
91.71604	16.0
93.07003	18.4
95.08592	100.0
97.10165	25.0
109.10157	39.8
123.11657	17.7
201.26031	16.6
214.32489	20.7
225.25165	18.3
231.23000	20.4
273.30167	18.6
279.34875	19.6
280.76865	20.1
343.22446	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	343.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	3.5
55.05503	35.5
57.07062	10.5
67.05494	78.7
69.07059	66.2
70.67381	2.1
71.04988	10.2
71.08633	5.3
79.05469	13.1
81.07047	100.0
83.08607	40.6
85.06550	7.6
89.06026	3.2
89.73331	2.4
91.70940	4.2
93.07042	19.3
95.04992	2.9
95.08597	95.8
95.26661	2.9
97.10164	32.5
100.04087	2.3
105.40342	2.4
107.08578	14.3
109.10149	46.8
111.11725	11.6
114.71931	2.3
121.10133	20.9
123.11691	20.6
125.13279	2.8
135.11665	15.5
137.13252	5.0
143.77049	2.7
149.13274	8.8
151.14818	5.2
179.18056	3.3
247.24313	6.6
265.25217	3.5
289.28906	8.9
307.29718	5.0
343.25909	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	344.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	48.0
62.44817	23.3
72.10798	29.2
119.41876	26.2
129.65659	25.0
170.80522	28.2
208.04568	31.5
217.07571	33.5
240.09164	30.9
273.73792	29.6
277.10916	40.1
318.13861	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66586	1.0
53.66866	0.9
55.01841	1.7
56.05023	2.4
61.02907	2.1
69.03417	3.8
70.06583	17.5
72.08144	5.2
74.06059	4.8
75.45878	1.1
81.03406	1.2
84.04501	2.0
84.08130	4.5
85.02904	18.7
86.09705	8.9
91.05460	9.2
97.02898	1.4
98.06099	1.3
115.57654	1.1
116.07085	12.5
118.41640	1.2
119.04939	12.9
127.03925	5.5
129.10257	2.3
141.09283	1.2
145.04965	2.9
147.04402	100.0
160.43051	1.3
165.05479	13.9
180.08646	1.6
181.53857	1.2
201.12331	3.2
355.58478	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	344.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60198	1.1
55.82336	1.2
61.02904	1.8
69.03408	3.8
69.25279	1.4
70.13837	1.3
79.07155	1.5
80.41004	1.2
85.02896	19.0
91.05470	7.5
97.02885	4.4
119.04923	18.0
123.04397	1.7
127.03931	3.5
145.04852	3.3
147.04404	100.0
148.04733	2.4
164.60352	1.3
165.05452	43.5
181.85910	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	344.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07858	1.2
52.97298	1.3
56.08801	1.4
56.96302	1.8
56.96561	20.9
60.04497	1.5
60.70208	1.4
64.44286	1.3
65.66016	1.4
66.55287	1.2
67.05499	1.7
77.15359	1.3
77.62818	1.3
77.97263	1.3
79.05434	1.5
80.46593	1.5
83.08624	1.6
90.50746	1.4
90.75883	1.3
90.76475	1.3
97.99197	2.1
100.86084	1.5
104.16148	1.4
104.99274	2.9
116.98653	2.1
139.01765	1.9
139.84151	1.6
175.02769	2.7
185.04857	2.0
185.28847	1.8
194.04930	2.3
211.06390	1.8
234.05901	2.1
252.06635	2.4
275.08319	3.4
302.14151	2.5
303.12662	10.3
310.45020	1.7
321.13730	22.5
333.75677	1.9
344.15286	100.0
345.15582	4.1
362.16403	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	344.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89085	3.2
56.96564	5.0
60.08162	33.3
67.04228	17.6
68.05005	14.9
69.05801	4.6
70.06571	15.1
74.17319	3.9
83.06089	9.8
84.49416	3.8
94.18344	3.9
95.06087	7.6
97.06509	7.1
107.06070	73.3
108.06848	8.1
111.05547	34.9
125.01717	36.5
126.02475	34.1
127.03268	61.8
141.04799	18.6
153.04820	6.0
158.21686	5.0
161.10789	11.0
162.11545	7.1
169.04289	76.2
169.05646	6.4
174.94612	4.8
182.05011	15.2
185.03873	5.8
185.09834	9.5
223.08994	20.0
228.11624	29.9
241.10030	64.5
244.57834	4.5
249.97845	5.0
300.17368	100.0
344.16449	20.9
354.99387	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38616	3.5
52.68130	3.4
56.05021	3.9
58.99558	3.3
60.08155	30.1
63.57015	3.2
65.35135	3.9
65.92244	3.3
67.04244	18.9
68.05023	10.6
69.05793	4.2
70.06569	18.1
74.24239	3.1
80.82230	4.1
92.40025	3.7
95.06102	7.2
100.02176	4.6
107.06066	58.5
108.06847	7.5
111.05561	22.6
125.01698	37.6
126.02448	29.6
127.03256	56.5
141.04802	8.5
155.91605	4.3
161.10742	5.4
169.04305	49.8
183.71010	4.8
204.69270	4.0
223.08977	19.9
228.11664	26.9
241.10039	65.5
248.20743	4.3
256.70041	4.5
257.09601	5.1
261.67706	4.7
300.17398	100.0
344.16364	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	344.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21793	0.2
57.30268	0.3
58.06578	0.9
61.02922	0.3
65.03922	0.2
69.03420	0.9
71.58231	0.2
77.03912	0.3
81.03413	0.3
85.02908	1.3
91.05467	7.8
93.07034	8.4
93.07637	0.4
95.04959	2.7
97.02867	0.5
101.13916	0.2
102.59765	0.2
102.92361	0.2
103.04759	0.3
103.05453	5.5
105.04494	0.5
116.87811	0.2
118.06509	0.4
119.04925	2.7
121.06494	100.0
122.06823	0.6
136.05135	0.5
137.05940	1.7
151.07526	10.3
182.11736	3.3
211.90816	0.2
344.17007	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	344.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21338	1.4
51.92631	1.5
52.22934	1.3
54.92555	1.5
56.05019	3.7
60.04494	1.4
63.19067	1.8
66.25404	1.6
69.03428	5.5
70.06583	8.0
72.08169	3.6
74.06072	3.4
74.56186	1.4
75.43309	1.4
81.45027	1.7
84.04494	2.1
84.08140	6.0
85.02902	17.6
86.09703	6.9
89.73331	1.7
91.05475	2.9
97.02879	3.9
107.04953	100.0
110.07175	3.2
116.07098	3.4
120.08033	2.4
129.10265	4.6
136.07616	3.0
145.05034	2.5
150.34219	1.9
155.40100	1.8
165.09100	16.9
180.08662	3.0
210.55771	2.0
216.12563	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	344.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07040	1.2
67.16223	1.3
69.03404	3.0
69.07089	3.1
70.06581	71.0
72.08141	7.3
73.02908	2.7
81.03384	2.1
84.04482	2.6
84.08118	3.2
85.02899	13.0
86.09696	38.1
88.03976	6.7
91.05479	5.4
96.08123	1.8
97.02881	3.7
98.02409	2.5
100.03950	3.5
116.07085	100.0
119.04936	9.6
127.03996	1.8
129.10237	4.1
138.09128	2.7
141.10214	6.7
147.04402	57.4
156.10193	5.7
165.05457	28.8
183.11299	3.0
201.12335	32.3
208.55269	1.9
229.11873	4.2
232.19992	1.6
264.25708	1.6
338.66409	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1856
Annotation	Crassifoline methine
Peak:m/z	Relative Intensity
58.06573	5.4
70.56338	2.9
76.87783	2.9
117.06999	4.4
121.52479	3.2
131.04886	20.3
137.05948	23.6
139.22618	3.8
145.06503	13.9
161.05945	5.0
178.07803	16.8
193.10077	9.6
202.07751	10.6
203.08568	16.2
206.07266	8.4
220.08665	6.0
221.09604	22.1
231.08055	6.8
249.09039	39.9
266.09372	8.5
269.11737	13.2
281.11703	100.0
299.12759	15.6
301.89758	4.0
344.18521	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	344.2429
Annotation	Broussonetine V
Peak:m/z	Relative Intensity
55.05486	17.1
56.04755	5.4
56.05018	9.6
58.56525	5.5
59.66021	5.6
60.04522	59.7
66.32885	6.2
67.05493	42.1
68.15715	6.1
69.07072	7.1
72.04516	9.5
77.48608	7.6
79.05482	33.5
80.04995	6.8
81.03404	100.0
81.07044	38.5
82.06548	10.7
83.08626	10.2
91.05415	17.6
91.71044	15.3
93.07020	35.6
95.04978	16.7
95.08596	33.3
96.04485	20.1
103.29494	6.5
105.07036	14.3
107.04942	21.7
107.08601	16.5
109.10131	9.9
110.06075	15.4
117.07058	10.6
119.08569	16.8
121.06510	14.8
121.10155	16.7
122.09456	7.1
123.08007	9.5
131.08591	22.5
133.10127	9.6
135.08047	9.0
145.10130	14.0
147.11667	11.4
149.91141	7.4
155.06703	8.0
157.10193	7.8
158.94878	8.1
171.11818	13.0
179.69724	7.8
209.18007	8.0
273.18280	11.7
284.25641	8.0
291.19455	72.0
308.22238	45.5
326.23224	39.3
344.24249	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	344.2543
Annotation	Val Ile Leu
Peak:m/z	Relative Intensity
55.05513	5.4
57.36421	0.8
59.42386	0.8
65.41206	0.9
68.29733	1.0
69.07060	2.7
70.06574	2.6
72.08149	67.7
84.08134	1.1
86.09701	100.0
91.05403	1.0
91.70957	1.1
107.11324	1.2
132.10207	3.1
142.24251	1.2
185.16487	34.4
213.15987	20.3
231.16983	1.5
245.18678	4.6
307.41510	1.2
315.94394	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2541
Annotation	Ile Val Ile
Peak:m/z	Relative Intensity
50.96700	0.8
55.05499	4.4
57.07070	2.8
61.51315	0.9
63.38735	0.9
70.06578	4.7
71.04975	3.1
72.08144	77.3
83.04977	0.9
83.99343	1.1
85.02889	3.3
86.09695	100.0
107.04893	2.5
125.81410	1.1
131.04924	1.7
132.10208	3.1
137.05969	3.8
147.04431	1.4
185.16473	46.7
213.15959	25.6
215.07054	2.8
231.16937	5.4
309.11099	1.7
326.13873	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	344.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50798	2.0
55.05488	5.8
55.36307	2.3
58.41751	2.0
58.71089	2.6
59.02408	1.9
59.79195	2.4
60.99567	2.1
67.05479	4.6
69.07064	4.2
83.08572	2.3
86.21532	2.3
89.06075	2.3
94.06561	34.1
94.43117	2.6
95.04939	2.6
122.06026	100.0
136.07533	3.8
148.07535	5.8
162.09135	5.0
234.29131	3.0
251.34375	2.8
344.29541	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	344.3159
Annotation	C2-dihydroceramide
Peak:m/z	Relative Intensity
55.05511	19.2
56.05027	7.8
56.93447	2.4
57.07053	4.5
58.99430	2.7
60.04516	100.0
63.36206	2.5
67.05489	31.0
69.07056	12.1
69.36054	3.2
70.06586	4.3
79.05490	8.2
81.07056	24.8
83.08607	10.8
91.05492	7.8
91.71107	5.0
91.71585	4.8
93.07039	10.1
95.08593	19.8
97.10152	4.1
100.27585	3.0
104.43816	3.1
104.99294	7.4
105.07066	3.7
107.08579	5.3
109.10159	8.9
121.10139	7.5
161.88716	3.3
179.72408	3.2
219.76387	3.7
281.10580	4.8
304.12177	5.6
308.29419	32.4
326.30466	37.9
344.31689	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	345.0967
Annotation	5,7-Dihydroxy-8,3',4'-trimethoxyisoflavone
Peak:m/z	Relative Intensity
51.73166	1.0
69.68492	1.2
70.08337	1.2
72.15325	1.5
79.05464	5.4
87.18610	1.3
91.05477	1.5
92.02619	2.8
94.04170	2.9
94.83401	1.5
105.03364	3.1
107.04974	2.6
108.08097	2.2
122.03625	9.7
135.04408	8.1
137.05969	100.0
149.05988	5.7
153.06963	2.0
163.03883	23.2
168.05711	4.1
177.05444	2.4
181.04951	16.3
181.06418	2.2
183.06477	1.7
183.07973	1.8
185.06004	2.4
191.03377	73.1
196.05156	5.7
197.05984	2.1
204.06543	7.4
211.07555	7.9
213.05515	3.8
228.07643	2.3
234.80946	1.7
239.07004	5.0
256.07294	1.8
271.09741	1.8
298.04782	1.7
299.09088	9.2
309.07458	3.8
326.92377	1.5
327.08603	43.4
327.12460	2.8
345.09650	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	345.0967
Annotation	Agestricin B
Peak:m/z	Relative Intensity
56.96547	6.3
63.19472	4.7
65.03923	13.0
89.03899	5.3
91.05460	13.8
95.04945	20.3
118.04160	20.0
118.65360	6.2
119.04942	23.9
121.06474	13.8
121.74874	6.5
134.03633	14.2
135.04413	100.0
137.05992	16.8
146.03630	10.1
146.11272	5.4
147.04417	8.9
148.05153	8.1
149.05959	27.6
151.03943	11.3
152.04686	7.4
153.01793	9.7
153.07036	12.0
159.04462	8.5
160.05244	5.9
161.02324	11.2
168.04185	10.2
169.06433	9.9
177.05441	62.1
178.02563	35.5
178.06177	7.7
181.04993	11.8
181.06483	15.7
193.04892	11.2
197.06076	10.5
209.05989	26.1
221.04431	10.2
225.05435	8.4
237.05446	10.8
265.04919	19.9
268.36267	6.6
269.08102	6.4
283.06058	39.8
283.60983	7.9
295.05978	8.8
297.07736	10.8
313.06976	80.0
315.08643	18.3
327.08508	10.7
345.09634	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	345.0968
Annotation	Hyperxanthone A
Peak:m/z	Relative Intensity
57.07064	14.2
76.84792	6.2
79.30548	6.3
92.41742	5.6
96.62579	6.5
98.49911	7.9
117.03345	11.7
121.06519	13.8
131.04903	8.1
132.00661	7.1
137.06010	23.3
143.01666	6.0
149.06003	7.5
152.06128	8.8
153.06967	11.6
165.06995	12.9
168.05719	14.3
171.77502	6.8
178.02626	8.7
180.05641	6.9
181.06493	19.6
181.27037	6.6
185.06007	8.9
195.08075	10.2
196.05196	31.5
197.06039	8.7
198.06853	7.1
209.06027	10.5
211.07576	27.9
223.07544	9.7
224.04611	11.0
227.10394	8.6
237.05457	11.3
239.07050	20.2
240.07648	11.7
251.06975	9.3
252.04178	21.1
253.04916	8.0
266.05469	7.6
267.06573	17.5
268.07428	7.5
269.08261	10.1
280.03738	10.3
283.09552	15.0
294.05054	9.4
295.05972	70.3
296.06686	8.4
299.09033	62.4
309.07504	13.9
313.07016	11.0
327.08606	100.0
331.93839	7.8
337.85168	9.6
345.09613	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	2.8
62.31413	2.6
78.76489	3.4
79.05479	4.8
81.07042	15.5
91.05424	4.2
95.04938	4.5
95.08575	5.4
98.97592	3.3
105.03362	5.1
123.04491	4.1
134.03694	3.1
135.04407	100.0
137.05983	12.7
141.07010	4.7
148.05199	4.7
148.15788	3.2
148.84644	3.1
151.03934	7.1
152.06189	4.9
153.06982	7.9
160.05150	6.6
161.02405	4.1
169.06502	7.2
181.04936	15.0
181.06529	17.4
182.77803	3.5
183.20450	3.2
193.04858	4.7
197.05959	11.5
209.05927	22.1
210.06830	4.8
225.05455	10.0
227.07170	4.6
237.05482	16.4
239.07127	3.8
253.04918	3.7
255.06456	6.3
256.07373	4.8
265.04865	21.5
283.05969	38.1
295.05884	9.7
297.07498	12.6
313.06927	6.8
315.08676	16.3
327.08517	10.6
353.43066	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54133	23.3
56.55682	27.2
56.96554	33.9
57.50397	25.3
57.95273	20.9
79.79938	24.7
83.50818	29.2
104.99258	100.0
151.07234	24.5
262.98218	34.9
345.27936	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	345.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	2.6
57.36105	1.3
61.63460	1.4
67.05505	1.9
68.99792	2.0
79.05455	1.8
81.07047	3.7
85.02862	1.4
85.04181	1.6
85.18874	1.6
91.05495	3.5
91.71703	2.0
95.04938	4.1
102.81750	1.3
108.08141	2.2
109.06500	5.3
112.69342	1.4
119.04935	4.6
131.19803	1.6
135.04376	1.6
135.31387	1.6
137.05957	27.7
141.05464	3.2
151.03836	1.8
165.05457	38.4
183.06517	100.0
196.49612	1.7
215.31276	1.7
219.00589	1.6
259.24368	1.7
299.01895	1.7
309.09805	2.1
327.11304	1.8
364.87686	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	345.1178
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
55.65684	2.3
57.07067	100.0
60.39693	2.2
67.05521	3.1
67.99652	2.6
79.05484	3.7
81.03432	5.0
91.05503	6.4
93.07049	6.5
95.04981	4.3
95.08626	6.7
105.07062	4.9
105.56712	2.5
107.04988	5.7
107.08634	4.4
109.06528	4.4
111.08068	38.4
111.08727	3.1
117.07011	3.1
119.08583	6.4
123.04454	3.6
125.02423	3.1
129.09164	7.2
131.08531	3.1
135.04504	4.0
137.05972	18.9
139.03873	3.2
145.10135	6.9
147.08049	7.0
151.03960	5.2
153.01846	8.6
155.08650	3.6
159.08095	3.2
161.09662	3.2
163.11272	3.3
165.05479	20.4
171.08124	3.9
173.09666	5.7
175.07509	3.4
177.09074	3.5
183.06523	49.4
189.09196	5.9
191.10725	8.3
198.79543	2.8
199.07593	5.6
201.09129	11.5
207.10219	4.4
217.08633	5.3
219.10194	4.6
245.08195	7.9
247.09773	3.2
263.09036	3.9
265.10983	4.0
273.07672	3.6
281.10242	4.6
289.14084	3.1
291.08710	8.2
309.09558	20.1
327.10880	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	345.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91554	2.8
65.03939	7.0
69.03421	6.0
71.68893	2.7
73.79478	2.9
77.03938	2.8
81.03401	25.1
81.07069	3.3
91.05497	5.0
95.04984	7.7
97.02929	4.7
107.04935	36.3
108.08140	5.9
111.04422	7.0
121.02834	23.5
123.04481	4.0
129.07082	4.2
131.04958	6.3
131.08595	6.0
133.02931	5.6
135.04478	10.5
137.05963	46.5
141.05496	6.2
144.05713	5.7
145.06497	5.2
147.04472	6.6
148.05168	4.0
149.05981	4.8
149.78786	3.2
151.03906	100.0
151.05020	11.9
159.08049	31.3
160.05249	9.2
161.06039	3.3
175.03972	3.7
176.04628	4.0
191.07103	7.8
203.07069	9.6
205.08644	7.5
206.84546	3.2
242.65602	3.6
255.06323	4.1
256.07434	7.6
295.06079	3.8
297.07526	3.6
297.11273	10.3
309.10901	3.7
327.12344	7.0
345.09744	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	345.1332
Annotation	Carpinontriol B
Peak:m/z	Relative Intensity
55.05510	7.6
57.07033	7.5
61.45565	7.7
67.05501	12.4
69.03417	9.7
71.26574	6.8
79.05491	8.0
81.04440	6.6
83.01317	19.0
91.05468	19.8
92.81860	9.7
95.04930	11.1
96.75190	8.2
105.07042	31.5
107.03349	9.5
115.05489	12.4
117.07014	11.5
119.08578	9.2
123.21821	7.3
126.56905	9.5
128.06204	10.8
129.07010	14.3
131.08549	10.8
137.05962	44.0
141.06985	16.9
142.07837	22.7
143.08588	23.1
145.06465	13.3
145.10101	19.3
147.08063	9.0
155.08545	11.8
156.09352	10.1
157.10181	26.8
159.11694	11.9
165.06966	15.1
167.08588	15.0
169.06306	9.4
169.10101	18.4
170.46886	8.1
171.08040	19.1
173.09663	16.7
179.08574	21.3
181.10092	10.6
183.07982	12.1
185.09648	25.2
187.07591	18.8
187.11166	28.2
197.09595	27.6
197.13216	13.0
199.07530	8.7
199.11169	11.5
201.09120	12.3
203.10709	10.9
207.11609	9.9
213.09018	9.8
215.10600	9.4
225.12778	19.7
227.10744	15.9
227.14189	10.4
237.12688	14.9
241.08496	9.9
243.10179	12.8
243.13747	9.5
253.12251	25.0
255.13713	15.8
259.09677	10.8
271.13300	16.7
279.98944	9.5
281.11801	25.5
283.13223	23.0
299.12692	45.0
301.14270	13.6
315.12662	10.0
317.13583	9.8
327.12277	31.6
333.92105	9.9
345.13269	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
60.73318	0.5
66.04714	0.9
76.62027	0.6
79.05472	1.2
83.20290	0.6
91.05474	1.2
94.04172	4.3
103.05455	1.5
109.06510	1.2
115.05440	1.5
119.04929	0.7
121.06461	1.0
122.03638	10.0
131.04878	1.1
137.05968	100.0
143.04927	1.1
149.05968	0.9
151.03778	0.8
160.05145	1.0
161.05983	2.6
163.03893	1.1
163.07648	1.0
165.06992	1.9
166.07863	0.8
175.07495	3.4
178.07884	0.8
179.08501	1.7
181.06302	0.9
191.06979	3.3
193.06418	1.4
194.07135	0.7
203.06958	1.3
205.06618	1.0
206.07504	0.7
207.07993	1.2
210.06750	1.7
221.05951	1.2
222.06670	1.3
224.08202	0.9
233.05969	0.8
234.06740	1.0
235.07568	1.0
249.08974	1.3
253.08647	2.3
256.79108	0.8
265.08524	2.4
267.00668	0.8
267.10101	3.1
277.08536	1.2
285.11111	3.3
294.08801	1.0
297.11194	1.5
309.11218	1.8
327.12109	0.8
345.09567	0.9
345.14890	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84158	0.6
56.27688	0.8
57.07038	0.8
61.02916	0.7
69.03406	2.3
69.33584	0.7
71.25330	0.8
72.64235	0.8
74.97838	0.7
84.65247	1.0
85.02897	4.9
93.04510	3.2
95.06074	5.6
97.02889	1.6
100.30112	0.8
101.65323	0.9
105.07024	1.5
108.08104	2.0
109.02890	1.1
117.12241	0.8
118.05302	1.5
121.06538	1.2
123.05549	14.5
124.06355	1.7
133.07602	4.8
134.08403	0.8
135.97551	0.8
137.06013	1.8
137.07083	1.7
141.05486	0.9
141.06573	1.9
164.08202	2.2
165.10213	100.0
166.10562	2.1
183.11278	27.3
204.56529	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16687	1.0
60.04520	1.6
60.99031	0.9
61.53842	1.0
65.77843	1.0
71.92311	0.9
72.11935	1.2
72.24873	1.0
75.83176	0.9
81.07025	1.5
91.05469	3.9
91.71019	1.1
94.04180	4.0
100.44730	1.1
103.05450	9.4
105.07032	5.0
107.04951	2.6
109.06508	1.7
117.07032	1.9
121.06494	2.2
122.03645	10.7
131.04927	12.2
133.06476	16.8
135.08047	7.5
137.05972	100.0
143.08513	1.9
145.06459	3.6
150.79768	1.1
151.07518	4.2
153.30164	1.5
157.06522	1.9
163.07535	27.1
200.79852	1.4
214.91510	1.5
260.34055	1.2
295.13348	2.5
314.27811	1.2
320.52045	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	345.1695
Annotation	Anastreptin
Peak:m/z	Relative Intensity
55.01872	5.7
55.05490	9.4
57.07053	25.0
67.05451	5.9
69.76766	5.2
81.07056	6.0
85.02866	4.8
93.07010	6.3
100.44902	5.4
103.05450	10.0
104.99288	10.4
123.36618	5.3
131.04922	19.8
148.73402	5.9
182.28130	6.7
197.09509	7.2
215.10678	7.0
243.10133	8.3
251.93509	7.1
295.92645	6.9
341.99741	7.3
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	345.1695
Annotation	Anastreptin
Peak:m/z	Relative Intensity
50.24614	2.5
55.05495	4.6
57.07071	24.8
62.97716	2.2
63.10011	2.5
63.64039	2.4
70.92843	2.9
75.01109	2.6
79.05491	3.3
81.07045	5.5
83.08588	5.0
104.99281	10.4
124.98347	3.0
128.01735	3.2
133.94902	3.1
155.08514	3.8
159.11659	3.9
161.06029	3.7
187.11215	3.8
197.09679	4.8
198.16072	4.0
201.09013	4.1
225.09158	7.1
229.08905	3.6
230.33507	3.5
243.10219	4.2
262.98199	4.7
267.00864	3.7
271.09683	3.6
294.88705	4.1
327.16098	5.7
345.16919	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	7.7
56.88468	1.9
56.91913	2.1
56.96533	2.2
57.07066	4.7
68.55242	2.4
69.07044	5.9
70.02943	4.6
70.06573	13.6
72.08146	100.0
79.93671	2.7
81.07071	2.6
82.06573	3.7
82.96252	2.5
83.06101	8.2
84.04492	17.0
84.08112	4.1
84.57115	2.3
85.02888	11.4
85.04011	3.5
86.02400	2.1
86.09698	74.2
87.05582	16.1
88.03974	3.6
91.05469	3.9
95.75021	2.4
96.08106	4.4
98.02396	10.7
99.08078	3.6
99.09205	2.7
104.07115	8.9
109.46393	2.5
110.02387	7.9
113.10764	3.3
116.07113	3.8
118.08617	4.9
119.04940	5.0
121.06545	3.3
127.03978	3.9
127.08682	13.7
130.04977	4.0
132.10226	4.9
137.05968	10.4
138.09091	3.4
141.10207	30.4
147.04382	12.6
148.04774	15.5
149.05969	4.5
152.07079	6.1
153.46399	2.5
155.11833	11.1
166.08691	4.0
169.09702	12.5
179.99399	2.6
183.11295	7.5
186.12367	52.5
191.51402	2.9
196.14513	6.2
197.12949	4.0
200.13913	31.3
214.11830	18.9
221.19899	2.9
224.13969	3.4
228.13483	10.8
229.16576	2.7
246.14455	2.9
262.44083	2.7
311.16104	3.8
345.15033	13.2
345.22177	4.8
355.64429	3.0
361.61044	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	345.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07927	1.4
51.89691	1.4
52.30039	1.7
53.98946	1.4
55.05503	8.4
56.69187	1.5
57.07063	1.8
69.07057	5.8
70.02952	1.7
70.06585	16.8
71.06924	4.8
72.08150	100.0
82.06582	4.4
83.85893	2.1
84.04501	4.4
84.08143	4.0
86.09701	57.3
87.05603	9.4
87.10036	3.2
88.03992	2.3
95.08591	2.8
96.08144	5.9
97.46320	2.0
98.02418	9.7
99.09196	5.1
110.02415	5.7
115.86424	1.9
116.07078	14.7
117.07412	7.4
119.41334	2.0
124.07571	2.3
127.08675	17.7
131.04999	1.9
132.10231	4.8
137.05968	2.7
141.10254	20.6
148.04759	2.9
152.07071	5.3
169.09702	10.6
170.39040	2.0
186.12366	50.2
200.14000	5.5
202.12720	5.3
214.11859	26.9
228.13567	2.7
246.14713	3.8
282.18192	3.1
285.82153	2.1
345.15302	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	345.227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	35.3
66.88085	17.9
67.05491	78.6
69.03442	18.0
69.07039	19.5
71.39185	15.6
72.57906	13.0
75.00423	13.2
76.00373	15.6
77.42820	13.6
78.74898	15.3
79.05485	79.4
81.07046	73.1
83.04977	21.4
83.08614	21.4
88.57803	13.9
89.32981	16.5
91.05466	50.9
93.07034	59.2
95.08615	32.0
97.10175	25.2
105.07031	40.2
107.08590	96.2
108.08104	32.0
117.06859	19.4
119.08576	31.8
121.10123	75.5
123.08044	29.8
125.09661	43.3
131.08548	21.9
133.10179	21.3
135.04510	17.4
137.06026	19.8
137.33441	19.5
145.10164	25.6
171.11621	25.5
189.11317	20.3
214.81760	17.5
273.18405	100.0
291.19589	76.1
309.20599	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.227
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
55.01611	5.9
55.01874	17.7
55.05500	49.1
57.03424	6.4
64.14122	4.8
67.05494	53.2
69.07050	29.5
79.05476	44.2
81.07043	47.6
82.47961	6.2
83.04978	8.1
83.08610	30.4
91.05497	20.2
93.07021	58.9
94.43018	6.0
95.04929	5.9
95.08585	30.4
97.06527	7.7
97.10160	53.8
105.07076	9.4
107.08626	16.4
108.08171	6.6
109.06522	11.1
109.10184	11.1
110.25535	6.4
119.08607	19.3
121.10143	68.4
123.08033	29.6
125.09585	29.4
131.08604	8.8
137.09683	20.1
139.11198	12.2
147.08124	7.0
149.09641	6.0
153.09076	6.9
171.10214	13.1
179.10744	7.7
188.51740	6.3
189.11194	34.6
189.12813	6.9
218.41325	6.5
218.44064	7.3
240.96538	6.0
256.45911	6.2
263.20032	7.8
273.18542	21.0
291.19485	76.3
309.20551	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	345.2272
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
51.21141	5.8
55.05515	7.6
56.96562	10.6
67.05521	25.9
69.07076	9.2
71.59679	5.9
79.05492	23.8
81.07046	44.5
83.08635	13.1
91.05495	23.4
93.07043	48.2
94.21983	6.2
95.08617	19.3
104.99264	47.3
105.07030	9.5
107.08641	23.0
109.10207	8.9
119.08609	10.1
121.10157	40.2
133.10179	18.9
135.11772	18.0
137.09663	9.4
147.11685	8.9
197.19891	6.9
231.17804	8.4
249.18483	100.0
250.96336	7.2
262.98239	22.5
267.19611	12.7
344.47119	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	345.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.5
55.05505	18.5
57.07053	4.2
59.23716	1.4
67.05495	17.3
69.07063	20.2
71.33493	1.4
72.84917	1.6
76.08276	1.5
77.99939	1.5
79.05517	2.3
81.07054	18.7
83.08596	10.9
91.05475	6.5
93.07048	3.8
95.01954	1.6
95.08600	17.9
97.10173	7.5
99.91631	1.7
104.99283	3.7
105.03404	6.6
105.06989	9.3
107.04938	15.3
109.10164	8.6
111.11713	2.8
115.05469	1.6
117.07014	4.1
119.08580	3.3
121.06503	3.0
121.10155	3.3
131.04927	2.5
131.08519	3.0
133.06482	23.3
135.04329	2.4
145.06458	7.8
147.04376	2.7
147.08052	19.6
151.03896	100.0
157.06520	3.1
159.08037	4.3
161.05949	12.4
165.05386	2.3
173.09674	2.0
174.10881	1.8
175.07584	5.6
177.05475	5.6
179.07043	9.5
183.08038	2.7
191.07063	7.2
193.08563	2.9
201.09094	3.4
219.10135	2.5
309.21994	3.1
327.23190	8.0
344.16248	1.8
345.24146	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	345.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	13.9
57.07067	4.4
65.03960	2.6
67.05503	17.3
69.07056	12.7
77.03903	2.7
79.05502	6.5
81.07037	19.1
83.08606	9.9
91.05524	5.7
93.07037	3.5
95.08611	17.8
97.10184	5.7
99.71198	2.6
105.03413	5.3
105.07035	10.8
107.04966	20.0
109.10167	5.7
115.05520	3.4
117.07018	4.3
119.08561	3.7
121.06499	4.6
133.06512	20.0
135.04454	3.4
139.23669	2.8
145.06544	11.6
147.04401	3.3
147.08069	14.4
151.03902	100.0
159.08052	6.0
161.05965	12.7
161.09633	4.0
164.77168	2.7
167.55101	2.6
173.09605	3.4
175.07518	7.1
179.07054	10.2
188.22661	2.9
212.22467	2.7
220.84285	3.0
309.22150	3.7
311.40997	3.4
327.23254	11.3
340.45615	2.7
345.24283	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	345.2423
Annotation	Medrysone
Peak:m/z	Relative Intensity
54.53230	4.1
55.05495	12.7
67.05485	9.4
67.32359	5.3
69.07057	7.8
71.08629	5.4
86.54404	5.5
88.03079	4.7
91.05442	7.7
91.70994	10.3
95.08607	7.6
104.99269	31.8
107.04953	14.6
109.10140	5.2
117.07011	9.6
131.08575	10.6
133.06497	10.5
145.06427	32.7
151.03923	35.6
154.53252	6.3
157.06410	5.5
158.07222	6.2
159.08005	9.1
161.05980	6.9
173.06056	18.6
174.56366	5.7
191.07057	6.8
238.15166	6.3
262.98151	11.9
302.22726	6.8
327.23132	100.0
345.24249	22.4
349.53699	6.1
364.46884	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2423
Annotation	11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
55.05501	10.0
57.07060	5.1
61.25185	2.4
61.99596	2.4
67.05499	4.1
69.07050	12.1
77.30166	2.8
81.07034	7.8
83.08606	4.2
87.78633	2.4
91.05470	2.8
95.08589	6.1
96.86219	2.4
97.10146	3.3
105.03381	3.3
105.07044	7.1
107.04960	9.4
109.10185	3.0
115.05422	3.9
117.07019	10.0
121.06528	7.1
129.07004	3.5
131.08582	8.5
132.05647	3.4
133.06526	14.8
144.57646	3.1
145.06491	32.8
147.08073	5.3
149.05986	3.0
151.03899	46.6
159.08022	7.4
161.06001	10.5
169.06442	4.6
173.05939	22.6
173.09633	11.5
173.13266	11.1
177.05458	7.7
187.07581	11.5
191.06993	9.8
201.09184	5.7
203.07205	2.9
208.05331	3.5
231.42636	2.7
239.48151	2.6
324.86993	2.7
327.23154	100.0
342.91125	2.8
345.24255	20.1
354.75778	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	345.2422
Annotation	11-HDOHE
Peak:m/z	Relative Intensity
50.86683	2.1
55.05511	15.0
57.07054	5.4
67.05476	7.8
69.07054	16.3
73.55553	2.2
79.69638	2.4
81.07043	9.8
83.08592	8.8
91.05457	4.0
93.07028	4.2
95.08595	9.8
97.10184	5.0
102.28189	2.3
103.05457	2.7
105.03381	7.7
105.05952	2.3
105.07034	4.9
107.04952	5.6
109.10144	2.7
117.07004	7.4
123.11618	3.2
131.04915	3.0
131.08635	3.0
133.06483	8.5
135.04457	3.6
145.06494	13.9
147.08090	9.0
151.03888	100.0
157.06456	4.4
158.44916	2.7
159.08057	5.6
161.06013	7.8
173.05963	8.1
173.09659	5.1
175.07492	4.5
175.65543	2.8
176.24500	2.5
177.05539	4.6
179.07091	4.9
183.08067	3.0
184.09302	2.8
187.07567	2.9
191.07010	12.8
214.33781	2.6
327.23145	41.8
345.24200	21.2
355.66031	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	345.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	22.0
57.07060	20.8
64.40721	5.1
67.05486	27.9
69.07056	15.3
71.08619	92.6
79.05463	17.5
80.34982	5.7
81.07046	38.5
83.08605	14.1
85.06546	14.1
85.30692	5.6
87.89235	7.8
91.05488	6.8
93.07038	7.7
95.08614	24.1
99.08075	73.6
105.07022	15.4
107.04955	100.0
109.10154	12.4
117.06989	6.8
117.91640	5.9
119.08546	8.7
121.06485	9.9
129.07146	6.0
131.08568	16.7
133.06470	76.2
135.04417	16.6
145.06487	80.5
147.08063	56.9
149.05989	10.2
149.26476	8.7
151.03922	12.7
157.06471	15.3
159.08041	37.5
161.06006	8.7
161.09488	8.8
162.88971	7.4
172.64970	7.1
173.09618	7.1
187.11211	7.8
197.09512	8.3
202.38181	8.3
211.46465	6.9
219.07642	7.2
247.16983	23.2
294.36502	6.6
345.24216	66.2
350.71051	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	345.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09393	6.4
53.00278	8.8
53.00552	6.3
55.05496	35.8
57.07070	98.1
67.05498	42.5
69.07047	27.3
71.08616	36.6
71.90451	7.1
76.97399	8.1
77.58193	7.4
79.05466	17.2
81.07047	40.4
83.08598	12.6
85.06552	57.8
91.05462	14.8
93.07056	15.7
95.04955	13.5
95.08597	47.2
99.08090	22.5
104.99242	14.0
105.07041	23.9
107.04955	97.2
109.10119	12.0
111.46404	8.0
117.07006	14.7
121.06496	13.1
121.15079	8.1
125.85284	8.3
131.08553	8.1
133.06505	100.0
135.04431	23.5
145.06483	80.7
147.08037	57.2
151.03941	46.4
157.06499	15.0
159.08009	40.4
161.05942	21.8
161.09625	19.2
173.09561	12.8
224.58267	8.9
228.97446	8.3
261.18414	20.2
262.98273	13.2
274.71555	8.5
317.24725	13.0
327.23132	12.3
345.24161	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86075	6.3
53.00303	8.5
53.57262	6.0
55.05496	37.0
55.17468	6.8
56.63088	6.9
57.07069	66.9
66.59984	7.3
66.86463	7.9
67.05502	63.8
69.07048	41.5
71.08616	10.2
79.05470	20.0
81.07028	51.8
83.08617	25.5
85.10167	41.1
88.04131	8.3
91.05444	17.5
93.07037	16.0
95.08595	54.6
104.99274	28.5
105.07018	27.6
107.04944	85.3
109.10150	16.0
113.09650	27.9
116.86084	9.5
117.07040	20.1
121.06494	11.1
121.10135	10.8
123.11691	10.9
133.06485	100.0
135.04460	11.9
142.49557	9.0
145.06479	80.0
147.08041	62.0
149.05981	14.8
151.03947	56.0
157.06470	34.3
159.08063	39.1
161.05962	26.0
173.09627	17.8
184.98170	9.3
185.09685	25.0
262.98337	18.0
327.23169	11.8
341.34052	9.6
345.24097	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	345.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25230	1.9
57.07066	100.0
57.87009	1.7
65.19009	2.2
67.65234	2.1
100.07608	6.0
108.08148	2.5
116.19426	2.3
118.08649	3.1
156.13829	55.0
172.11566	3.2
266.04391	2.3
288.89832	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	345.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.0
57.03157	3.5
57.03428	52.7
60.04507	8.7
61.02911	9.3
67.05488	8.7
69.07050	6.5
69.22166	1.6
70.18472	1.7
71.30817	1.6
72.07088	1.7
74.83365	1.7
75.04424	1.7
77.30161	1.6
81.07050	12.2
82.40144	1.9
83.08614	2.8
91.71587	2.5
95.08592	12.5
97.10158	3.6
101.63028	1.9
104.99286	5.0
109.10145	4.5
117.05486	100.0
123.11688	2.7
151.03891	4.9
165.30630	2.1
267.92520	2.1
327.25378	3.2
356.88153	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	345.2633
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
55.05496	3.5
57.03430	57.4
60.10140	0.9
61.02629	1.7
61.02915	13.6
62.17107	1.0
67.05486	8.0
69.07056	5.5
81.07039	11.7
83.08611	3.4
95.08598	10.5
96.71764	1.1
97.10155	2.0
104.99252	1.6
109.10149	4.7
111.11645	1.4
117.05486	100.0
189.40483	1.3
212.88580	1.5
258.86356	1.4
304.62289	1.3
327.25558	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	345.2635
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
54.26427	5.7
55.05300	5.0
55.05508	58.7
57.03423	31.9
57.07057	7.7
60.04498	19.0
67.05500	78.4
69.07065	93.6
71.04977	9.4
71.70797	5.7
75.72601	5.8
79.04831	6.3
79.05486	29.9
81.07056	100.0
83.04974	7.7
83.08614	54.0
91.05486	14.8
93.07043	33.2
95.08600	83.1
95.09156	8.3
97.06536	11.7
97.10166	39.2
99.08117	6.4
105.07013	19.8
107.08591	15.4
109.10165	47.5
111.11671	9.7
119.08598	17.7
121.10130	26.9
123.11694	17.7
125.09632	10.9
128.86110	7.7
131.08536	6.5
133.10118	15.9
135.11711	22.2
137.05917	7.9
137.13251	8.6
139.11082	6.9
161.13335	12.1
197.17235	6.3
217.19533	13.0
218.19867	6.6
223.42195	7.1
226.03937	7.7
228.37421	6.2
235.20692	22.4
249.44019	7.9
251.13751	7.6
269.08023	7.0
299.09113	12.8
309.24103	11.4
313.31412	7.5
327.25400	40.1
345.26309	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2786
Annotation	5-(8Z,11Z-Heptadecadienyl)-1,3-benzenediol
Peak:m/z	Relative Intensity
50.81208	2.7
55.05488	14.5
57.07058	17.5
65.03924	3.1
67.05494	100.0
69.07041	15.7
70.64465	3.5
79.05487	22.4
81.07047	97.8
83.08611	9.2
91.05490	20.4
91.71662	4.0
93.07031	30.7
95.04958	14.5
95.08030	6.8
95.08598	77.3
97.06504	6.7
97.10139	6.1
105.07024	15.1
107.04956	30.0
107.08591	12.1
109.10153	45.3
117.06996	7.1
119.08579	10.6
121.06502	9.1
121.10108	11.0
123.11713	15.5
131.08560	6.4
133.06473	21.1
133.10170	6.5
135.08054	4.1
135.11696	8.5
137.13246	4.6
143.08478	4.0
145.06470	13.2
145.10168	6.9
147.08037	10.3
147.11703	7.6
149.13237	7.9
151.03906	6.4
157.06509	5.4
159.08131	6.4
175.14726	4.7
200.13326	4.1
212.76849	4.1
327.26776	15.1
345.27930	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	23.8
57.07065	10.0
67.05502	96.8
69.07052	48.8
69.90954	8.8
79.05493	24.8
81.07044	89.3
83.08624	20.4
91.05496	20.1
91.71067	12.4
93.07055	32.1
95.04967	28.6
95.08595	100.0
95.66239	9.2
103.25286	9.3
104.99281	13.7
105.07030	35.9
107.04948	59.5
107.08601	24.2
109.10159	33.5
117.07066	10.6
119.08604	22.7
121.06549	37.2
121.10168	19.3
123.11710	24.2
130.21103	9.5
131.08617	11.8
131.66919	10.3
133.06517	31.7
135.11714	14.1
145.06517	18.6
145.10213	13.8
147.08075	17.1
147.99678	11.5
149.06119	15.1
151.03893	31.3
167.73428	9.8
226.47815	11.3
227.71208	11.8
237.31763	11.7
263.11923	11.5
327.23129	51.5
327.26578	17.7
345.24167	14.7
345.27908	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03176	4.3
54.30923	4.3
55.05499	15.2
57.07050	9.5
67.05174	6.9
67.05499	82.0
69.07066	26.7
69.86723	4.8
72.19945	5.0
79.05487	22.1
81.07056	100.0
81.22518	4.8
83.08583	12.4
84.14075	5.8
87.71323	6.1
91.05460	15.6
93.07027	26.1
95.04986	11.8
95.08595	78.7
95.94424	5.3
97.06528	13.2
97.10142	10.0
99.08079	7.5
104.99276	21.6
105.07035	16.2
107.04924	27.9
107.08611	8.9
109.10181	41.2
119.08566	19.2
121.10152	12.5
123.11721	17.4
133.06509	12.5
133.10120	12.7
135.11682	12.9
135.72635	6.0
137.13252	5.7
147.08047	15.2
147.11696	6.9
151.03935	7.6
166.36511	6.4
193.31979	5.6
204.73119	5.7
242.97479	6.7
327.26837	10.3
345.24252	7.8
345.27960	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	345.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41285	8.3
55.05494	35.8
57.07071	20.7
67.05491	51.7
69.07059	68.1
71.08633	25.4
81.07054	60.7
83.08601	44.3
84.53391	7.4
85.06546	11.4
90.42489	7.4
95.08598	100.0
97.10170	63.1
109.10148	36.5
111.11745	19.8
264.85654	10.4
271.46716	9.6
295.53290	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	346.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	1.3
64.56490	1.1
65.03926	1.5
67.05488	1.4
69.03409	4.5
74.87791	1.1
79.05488	1.0
85.02905	7.5
85.24310	1.2
87.04456	1.4
97.02895	2.6
106.06585	1.3
108.08108	44.6
109.02885	1.4
111.04446	4.8
116.56947	1.2
121.02838	4.6
123.06807	2.2
124.07557	5.5
125.76583	1.3
127.03867	1.6
134.06038	3.2
136.07567	6.7
152.07071	16.8
167.03380	100.0
184.09773	1.5
314.12302	8.2
346.14963	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	346.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
57.03424	1.3
57.97526	0.4
61.02906	1.3
65.03926	1.2
67.05488	4.2
69.03419	6.8
70.81658	0.4
73.02900	1.0
73.73006	0.4
79.05482	1.3
81.03412	1.9
81.07032	1.5
82.94213	0.4
85.02891	6.2
87.04443	0.9
91.05473	0.7
93.05771	1.2
96.08125	0.9
97.02885	3.2
99.04446	0.8
106.06554	2.9
108.08108	100.0
109.02878	0.7
109.08463	0.6
118.00761	0.4
121.06508	0.5
123.06783	3.7
124.07577	13.7
126.05420	0.4
127.03909	1.1
134.06003	8.9
136.07570	19.0
137.08348	0.5
152.07053	52.7
154.08618	1.3
157.59076	0.4
161.13115	0.5
161.57361	0.4
166.08612	0.7
177.10289	1.1
184.09694	3.5
202.26997	0.4
208.66571	0.5
278.95871	0.4
314.09265	0.4
314.12292	19.5
346.14926	29.0
347.15298	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.3
65.88034	1.2
67.05486	4.7
69.03417	6.6
72.08136	1.7
76.41813	1.5
85.02904	4.8
96.43295	1.4
97.02894	3.5
104.97606	1.4
106.06528	2.4
108.08111	100.0
108.22751	1.7
123.06822	2.6
124.07579	12.0
134.05989	8.5
136.07571	18.9
142.15173	2.0
152.07065	54.0
184.09758	2.9
240.83740	1.6
241.73343	1.9
283.33948	1.7
314.12305	22.1
346.14978	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	346.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05009	8.4
57.07069	100.0
58.06587	2.9
60.04513	4.2
66.84888	3.1
67.05484	2.7
69.07052	9.2
69.48282	2.5
70.06587	29.7
71.04983	3.6
74.06076	25.9
79.05486	9.3
81.07032	5.1
84.04488	12.6
85.02915	4.0
86.09698	86.8
91.05471	10.9
92.58454	2.6
93.07027	3.9
95.04970	5.2
101.07130	12.0
105.07033	6.8
107.04943	24.7
121.10068	4.6
122.86499	2.9
126.12766	3.3
132.10217	4.8
133.06493	8.8
133.10123	9.7
135.04413	38.3
138.05489	3.4
142.12274	8.2
143.11852	4.1
143.58490	3.3
145.10060	3.6
146.11707	4.0
149.09612	4.4
153.05457	6.6
177.09111	6.2
179.07056	4.4
181.04956	5.0
187.14404	57.3
187.15999	5.2
205.08650	3.6
209.04532	9.5
215.13893	22.0
227.05460	53.4
251.09207	3.6
265.10751	3.9
283.11725	26.0
311.11359	12.0
329.12341	18.6
346.16565	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	346.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	8.0
72.27627	3.1
75.83401	3.5
82.59425	3.1
85.02892	7.0
108.08112	100.0
124.07599	9.2
134.06032	5.3
136.07564	17.6
148.99950	3.2
152.07072	50.8
157.67133	3.1
166.83220	3.5
230.90900	3.6
304.90613	3.5
314.12283	17.2
346.14960	25.6
346.91605	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	346.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88746	1.7
52.91936	2.1
53.90856	1.7
61.02919	2.3
64.17101	2.0
69.03414	4.2
71.97501	2.5
79.05466	17.7
85.02897	17.4
88.40639	2.6
91.05479	6.0
94.19470	2.0
97.02868	3.8
103.05448	7.4
107.04947	100.0
107.96476	2.3
108.08120	20.2
131.04910	27.0
131.08568	89.2
136.07578	5.5
149.05974	46.8
152.07039	12.0
159.83572	2.3
164.07076	4.5
165.07376	3.6
254.95679	2.9
263.37012	2.6
283.30322	2.7
346.14890	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	346.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69280	1.8
67.05470	2.1
69.03415	6.1
72.10990	1.8
81.03393	2.6
85.02892	13.5
91.05460	21.9
93.07045	2.0
93.47805	1.7
95.80170	2.1
97.02898	3.9
101.72449	2.1
105.07005	2.0
107.04948	3.1
108.08102	30.7
117.07024	4.5
119.08567	67.3
123.06736	2.7
124.07626	3.4
125.06012	11.0
131.03828	1.9
131.08572	13.1
134.06046	3.0
136.00418	2.3
136.07590	7.1
136.22136	2.3
149.09601	100.0
152.07045	15.2
167.10715	5.6
173.21872	2.1
279.08966	2.1
310.23306	2.3
314.12378	5.1
320.43253	2.4
346.14929	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	346.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17851	0.2
53.03929	0.3
59.78725	0.3
61.02927	0.4
62.46924	0.2
63.11348	0.3
69.03432	2.2
72.08150	0.6
75.00846	0.3
79.05486	0.3
81.03381	0.8
83.01167	0.3
85.02892	3.8
86.09705	0.3
87.04377	0.3
91.05471	6.5
97.02871	1.3
103.05415	0.4
107.04929	0.4
108.08104	2.0
109.02829	0.5
115.05423	0.8
116.06215	1.5
127.03938	0.5
129.06967	1.1
131.08560	100.0
132.08905	0.7
133.10161	0.5
134.06065	0.3
145.10127	0.5
148.11185	0.5
149.09596	3.2
152.06984	1.3
173.09589	0.9
174.04837	0.3
176.62457	0.3
184.42204	0.3
187.36284	0.3
196.58000	0.3
270.98782	0.3
346.14883	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1974
Annotation	Leu-Val-Asp
Peak:m/z	Relative Intensity
52.67987	1.2
55.05510	11.3
55.05732	1.5
57.05824	1.3
60.04529	2.1
65.23547	1.2
65.72949	1.2
69.07085	1.6
70.06579	7.3
70.43993	1.3
72.08147	100.0
73.08509	2.3
75.67848	1.3
84.04523	3.2
85.02924	5.8
86.09697	27.0
88.04028	6.7
104.07129	4.6
107.04942	15.1
114.42540	1.5
124.07642	1.7
131.07724	1.7
131.08537	8.3
132.10211	8.2
141.10236	1.8
142.08633	2.2
149.09683	5.0
149.65883	1.3
163.71121	1.6
166.08638	1.8
169.09787	6.4
185.40939	1.5
187.10754	15.1
197.12823	1.9
201.12369	3.6
215.10257	15.7
215.13828	2.5
229.11874	1.8
247.12805	9.6
271.72397	1.7
288.68417	1.7
323.86694	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	346.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	7.2
56.96555	2.3
60.04507	12.6
61.54334	2.2
67.05492	3.5
70.06572	7.1
72.08147	100.0
73.08502	2.4
79.05479	3.0
82.06576	6.8
86.09695	72.3
88.03969	16.1
94.06554	3.3
96.08116	5.4
98.02441	4.4
99.09149	2.7
118.08659	3.3
122.06030	4.2
124.07597	3.7
127.08691	17.6
129.10252	3.8
132.10205	8.7
141.10204	3.5
142.08636	24.0
156.10271	3.3
169.09720	8.4
170.08054	2.9
187.10774	91.0
193.13309	4.6
201.12311	19.2
215.10292	25.4
227.17390	2.7
229.11867	4.6
317.64545	2.9
325.45502	2.9
347.07376	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1973
Annotation	Glu-Val-Val
Peak:m/z	Relative Intensity
55.05507	7.9
56.05024	1.7
63.96362	0.9
65.17986	0.9
69.07060	7.5
70.06581	7.1
72.08146	95.6
84.04492	12.8
84.08140	1.1
85.12043	1.0
86.09698	100.0
99.90701	0.9
102.05532	12.4
106.30562	1.3
108.08133	1.3
109.35777	1.0
109.97932	1.1
113.71545	1.0
116.07111	1.5
118.08694	5.3
120.08060	1.3
130.04990	1.2
144.32047	1.2
183.11290	9.2
199.18045	20.8
201.12340	19.5
227.17479	9.0
229.11823	31.6
233.14998	2.2
247.12909	1.6
258.82455	1.1
346.15271	1.7
351.16037	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2336
Annotation	Thr Leu Ile
Peak:m/z	Relative Intensity
56.05028	12.9
56.96552	1.8
57.03407	1.8
57.83624	1.4
58.06584	7.0
60.04522	3.4
67.05461	1.7
67.63557	1.2
69.07052	4.9
70.06587	9.1
70.06894	1.3
72.08147	2.7
74.06073	37.9
81.07048	3.1
84.04497	7.4
85.63517	1.5
86.06053	3.3
86.09701	100.0
91.05488	2.0
98.09649	1.7
101.07134	23.1
116.07053	1.6
123.64634	1.6
126.12793	4.0
128.99568	1.8
132.10175	5.6
140.00212	1.9
142.12263	14.8
143.11792	6.6
187.14415	94.5
215.13905	31.5
233.14992	5.3
245.18582	2.0
303.74274	1.5
312.90933	1.6
339.00171	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	346.2586
Annotation	Broussonetine D
Peak:m/z	Relative Intensity
53.49276	0.7
57.69413	0.7
60.04517	100.0
62.18721	0.7
65.24628	0.7
67.05502	2.4
69.07078	1.5
81.07066	2.5
83.04978	0.9
83.08659	1.2
91.05482	1.1
93.07072	1.5
95.08636	3.3
109.10188	1.1
121.10149	1.0
123.78202	0.8
129.55014	0.9
131.07051	0.9
135.16139	0.8
202.75310	1.0
293.21078	1.8
310.23837	6.1
328.25195	1.4
346.26569	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2587
Annotation	Broussonetine D
Peak:m/z	Relative Intensity
50.20602	4.1
55.05488	9.2
58.06607	4.9
59.67239	3.4
60.04234	7.6
60.04517	100.0
62.06073	4.3
67.05487	13.6
68.76004	3.9
69.07056	15.9
70.06585	8.7
79.05520	8.7
81.07051	26.6
83.08614	5.7
84.26236	3.9
84.78938	4.4
91.05463	28.8
91.71574	6.6
93.07035	58.9
95.04964	16.4
95.08611	19.6
97.06527	5.8
97.10151	6.6
101.65669	4.1
102.43765	3.9
105.07055	6.8
105.83533	4.1
107.08593	12.7
108.08184	4.4
109.10133	7.4
117.92120	4.0
119.08598	8.7
121.10144	14.9
131.08553	10.0
139.11223	10.4
147.11682	4.4
275.20087	10.0
292.22681	5.7
310.23801	19.8
328.24899	32.9
346.25919	64.6
347.07706	8.5
348.06680	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	346.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03380	2.8
55.05497	10.9
60.10630	3.3
67.05498	90.1
69.07063	12.2
77.31499	3.0
79.05473	12.9
81.07051	100.0
83.08624	17.4
85.23281	3.4
91.05473	13.6
93.07044	25.2
95.08598	96.3
97.06486	4.1
97.10189	11.5
97.92225	3.1
105.07021	6.5
107.08615	11.4
109.10150	47.9
111.08084	7.0
113.56271	3.6
119.08598	9.7
121.10175	19.0
123.11670	19.2
125.96040	3.3
131.08614	4.8
131.84579	3.5
133.10143	18.2
135.11694	15.6
137.09615	6.0
137.13277	9.2
145.10095	7.4
149.13254	10.7
151.11223	14.3
169.12280	5.4
190.29103	3.6
195.13777	5.3
215.17975	25.0
233.19064	14.1
251.20055	60.4
274.64236	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	346.3102
Annotation	Funtumafrine C
Peak:m/z	Relative Intensity
55.05494	9.0
57.07066	3.5
58.40743	3.0
60.47077	2.8
61.54194	2.6
69.07058	7.6
73.12924	3.0
75.10152	2.7
88.49902	2.8
91.05465	8.5
94.06584	5.6
100.54150	3.0
105.86036	3.1
106.06551	37.5
107.07346	15.7
118.06558	6.0
119.07348	4.2
120.08103	20.0
120.29359	3.6
132.08081	50.1
133.08810	4.2
134.09660	6.9
146.09679	12.7
150.09171	16.1
160.11194	5.3
189.09119	3.3
219.47639	3.9
244.02341	3.2
254.65997	3.5
259.02951	3.3
274.86731	3.1
294.30136	3.3
297.69318	3.2
303.60806	3.1
328.30078	10.3
334.82507	3.4
346.31009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10596	1.4
56.02210	1.5
57.06844	1.6
57.07063	13.5
58.06584	3.0
63.06335	1.9
63.06739	1.7
69.13751	1.8
70.06583	25.1
71.08617	6.4
73.64416	1.8
87.91888	2.2
88.07623	35.5
102.09180	19.6
121.16912	2.2
210.20828	2.3
224.28552	2.4
243.74077	2.7
284.29471	42.7
293.14349	2.4
328.32291	3.3
346.33136	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.076
Annotation	Myricetin 3',4'-dimethyl ether
Peak:m/z	Relative Intensity
55.94505	1.9
57.09442	1.9
60.04519	12.7
72.49895	2.0
89.70497	2.3
110.09451	2.5
137.02325	6.0
153.01814	19.1
153.05449	6.3
165.01807	2.9
170.73267	2.3
213.72054	2.6
216.04185	2.7
229.05022	4.9
229.79811	2.4
242.45528	2.5
244.03708	3.3
257.04407	4.5
258.05151	12.9
259.05988	6.6
285.03879	3.4
286.04532	11.5
287.05475	10.3
291.08713	2.5
303.04950	6.0
314.04230	4.3
315.04880	3.2
331.04550	10.9
332.05447	5.2
335.23016	2.8
347.07565	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0757
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
60.04498	1.6
79.25225	1.6
79.75188	1.4
82.45729	1.6
99.99993	1.4
101.06486	1.6
137.02319	2.2
139.03903	2.5
147.04395	2.2
150.03149	2.7
153.01817	10.8
165.01773	2.0
191.84439	1.8
193.04926	1.6
194.02158	2.5
197.26189	1.5
216.04218	1.7
229.04950	5.4
230.05804	4.3
244.03712	4.4
257.04477	3.4
258.05209	19.9
259.06046	4.3
261.03998	2.8
267.61127	2.0
276.04700	2.0
285.03885	1.9
286.04675	10.9
287.05472	7.1
289.03525	3.5
302.04089	2.7
303.05075	10.5
313.03552	4.9
314.04166	3.7
315.04984	4.4
331.04459	22.0
332.05203	6.6
347.07596	100.0
348.08258	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	347.0758
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
63.60950	1.2
65.03913	1.5
68.99772	2.0
70.12480	1.4
76.26891	1.2
91.74374	1.1
101.41862	1.2
110.07382	1.2
116.99166	1.3
121.02840	3.2
133.02873	1.3
137.02318	2.4
139.03941	7.4
153.01822	16.1
153.05472	9.2
154.06316	1.5
165.01830	5.1
181.04977	2.0
201.05580	1.6
229.04897	4.7
230.05733	2.7
231.06476	2.8
233.23962	1.5
243.02779	1.9
244.03636	3.0
249.62926	1.3
257.04568	2.4
258.05127	12.0
259.05969	3.7
269.04465	2.8
285.03860	3.7
286.04779	9.8
287.05457	15.5
289.03131	2.6
291.08557	3.0
303.05011	7.2
314.04187	3.0
315.04883	5.7
331.04459	10.7
332.05115	4.2
347.07568	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0759
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
51.00837	0.6
61.56958	0.8
67.53215	0.9
76.47226	1.1
77.70556	0.9
92.02610	1.0
93.49780	0.9
132.08226	1.0
135.64706	1.0
137.02342	2.1
139.03883	1.9
151.03970	1.3
153.01817	13.6
153.05492	1.5
165.01810	1.3
178.02629	1.4
179.03375	1.1
183.02907	1.5
193.04861	1.4
194.02173	2.3
201.05479	1.8
216.04082	1.9
229.04903	4.6
230.05713	3.5
231.06573	1.5
244.03613	3.2
257.04486	3.2
258.05194	15.4
259.06027	3.1
269.04214	1.4
279.65787	1.1
285.03882	2.5
286.04712	9.2
287.05490	5.3
289.03360	2.2
302.04260	2.7
302.40671	1.0
303.05002	8.6
313.03403	3.1
314.04120	4.2
315.04880	5.5
318.07004	1.2
331.04465	19.7
332.05127	8.7
347.07599	100.0
348.07785	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	347.0761
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
56.62402	2.2
56.92595	2.3
80.07536	2.3
82.94221	2.9
91.05470	3.2
105.59766	3.3
107.04974	3.7
108.08103	4.5
121.01261	2.3
133.02792	6.0
133.19917	2.6
134.64522	2.5
137.05992	29.2
139.03880	3.2
149.05882	3.5
151.03909	8.7
152.07066	3.0
153.01794	12.7
177.05461	3.5
195.10091	4.3
229.05008	4.0
231.13565	2.7
233.79878	2.8
250.60461	3.0
257.04422	4.6
258.05240	12.5
259.06149	4.6
270.08789	2.9
283.09619	3.4
286.04749	11.4
287.05557	5.2
303.05060	8.8
331.04446	20.0
332.05206	9.9
347.07596	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	1.0
53.03926	0.7
55.01860	1.8
55.05476	0.7
57.03422	3.4
57.75085	0.7
61.02910	3.4
69.03423	10.7
72.08138	3.6
73.02888	1.6
73.79935	0.8
79.52817	0.7
81.03365	1.2
85.02900	46.4
91.03950	1.3
91.71564	1.5
92.42493	0.8
97.02868	2.6
99.04449	1.4
104.52416	0.9
109.02845	1.1
121.02848	1.1
127.03931	8.9
137.05962	0.9
139.03902	100.0
145.04990	4.2
145.98364	0.8
147.07684	1.4
147.20572	0.8
169.45412	0.8
183.60744	0.8
185.04436	19.6
214.02576	0.9
269.29471	0.8
347.16617	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	347.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00815	45.3
56.96559	75.3
59.84145	40.8
66.61842	35.3
68.14392	39.8
85.02924	58.5
86.09678	50.3
106.72888	41.6
108.08142	100.0
108.88117	37.8
109.08428	48.5
170.49902	48.3
181.43892	42.8
226.07675	78.5
235.50746	44.7
347.10159	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66570	3.8
52.75204	3.7
57.07052	15.8
59.72785	4.7
62.73661	4.5
69.03429	5.3
75.98112	4.5
78.51521	4.6
78.79816	4.8
79.05503	6.5
85.02888	10.6
86.09708	5.2
91.05467	5.0
93.07040	6.7
105.07023	7.3
108.08108	17.0
109.08434	8.0
121.06501	17.4
122.38712	6.1
135.04424	6.8
137.05969	100.0
145.10133	5.4
149.09656	7.2
152.07159	6.1
153.07288	5.0
165.10204	14.4
166.10495	9.2
167.10773	12.3
241.31602	5.6
251.14862	6.3
299.09027	40.7
317.10062	8.2
329.10101	7.6
347.16919	44.4
353.82208	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	347.1125
Annotation	5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone
Peak:m/z	Relative Intensity
72.02799	1.7
72.94620	2.1
76.45382	1.7
78.93745	1.8
87.11670	1.8
91.05473	3.3
94.04192	4.5
107.04915	2.2
108.08109	3.4
110.36367	2.0
112.39523	2.0
121.06438	5.0
122.03656	8.9
123.94778	1.9
135.04367	4.9
137.05968	100.0
149.05960	5.0
151.03998	2.8
152.06181	2.3
153.06987	10.4
156.18112	2.0
163.03979	2.5
165.05498	2.2
165.06998	3.9
177.05547	4.2
181.04932	3.9
181.06468	8.0
193.05023	3.3
196.05069	4.9
198.06775	2.3
207.04404	2.5
209.05984	4.4
211.07520	6.4
213.09230	3.2
239.07042	2.7
241.08556	3.0
256.07288	3.8
285.07504	2.6
297.07587	4.2
299.09143	31.4
317.10178	9.7
329.10138	15.1
347.07501	2.8
349.28290	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	347.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33052	6.3
63.75040	6.9
69.33726	7.3
75.06725	7.2
87.33499	8.0
91.05459	14.7
95.91026	8.1
96.61926	8.2
102.04694	37.2
108.08128	19.7
108.50369	6.5
110.87842	7.4
115.08162	9.2
119.04955	18.1
121.06525	8.6
125.19017	7.9
130.04160	25.9
131.04878	17.1
133.02898	8.8
137.02306	12.1
137.05980	29.6
137.24702	8.2
139.03865	10.7
147.04402	39.6
149.05981	12.0
150.06752	28.6
151.03955	16.1
152.07152	12.8
155.88921	7.3
161.05980	13.4
162.06717	49.9
177.05405	10.4
183.70639	7.1
210.06807	9.8
237.05504	16.4
265.05002	9.8
285.07764	10.0
285.90161	9.9
297.07523	100.0
347.14832	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	347.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73692	28.1
56.57696	26.5
56.96550	100.0
79.54666	31.6
91.05424	28.1
97.26287	28.4
106.66242	25.7
111.28996	27.9
123.14014	29.7
275.09683	44.4
328.12402	53.0
347.11652	71.6
356.70181	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45749	6.8
56.96562	100.0
57.73820	7.2
64.99869	7.2
70.87261	7.2
78.71655	8.3
80.67941	7.4
82.48923	9.2
90.12730	8.0
98.97568	53.0
104.82240	10.3
116.98611	40.1
131.08130	9.5
134.99669	22.8
140.00195	39.7
143.19014	10.0
158.01210	14.3
168.87973	8.4
181.02834	19.1
195.08615	8.2
202.01027	8.9
210.55812	9.6
247.06482	34.3
265.07480	46.4
270.07883	10.2
288.09076	71.2
307.08450	12.1
330.10095	31.6
347.11679	72.2
361.42902	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	4.5
55.43771	1.2
59.52975	1.5
62.58395	1.4
69.62317	1.4
72.41872	1.4
93.01611	1.4
93.39593	1.4
138.05522	2.2
156.21265	1.6
157.49457	1.6
160.03876	2.2
168.08023	2.1
178.04982	3.6
185.06985	2.0
185.10683	2.2
187.05049	4.1
192.79001	1.7
194.61681	1.8
199.08699	4.8
201.06575	3.5
205.06078	2.2
211.08583	1.8
213.06615	5.6
213.10207	4.4
227.08069	8.6
227.11700	2.3
229.09593	4.3
231.07629	3.2
237.10132	3.7
238.08707	2.6
239.08217	2.7
241.09700	4.5
255.07620	9.6
255.11240	7.3
257.09128	2.6
257.54092	1.9
266.57315	2.1
267.07571	3.4
269.09155	8.4
273.08630	3.9
283.10760	20.1
287.10388	2.1
293.09201	7.4
301.11774	4.6
311.10223	42.9
319.12830	3.0
329.11292	68.0
347.12338	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1238
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
50.02422	1.2
55.01848	7.6
84.04429	1.6
85.56435	1.4
98.74991	1.6
110.06001	2.1
117.04255	2.0
121.70346	2.0
138.05496	2.8
139.20337	1.9
152.03380	2.1
156.08075	1.9
171.09125	2.2
176.06892	2.0
178.04980	5.0
184.07666	2.2
185.07039	2.8
185.10770	1.9
186.09146	2.1
187.05046	3.9
197.07152	2.2
199.08687	8.8
201.06583	6.0
209.10602	2.2
210.09193	2.9
211.08531	2.9
213.06686	9.2
213.10159	9.2
214.08765	2.0
224.07155	2.4
227.08104	11.6
227.11743	2.4
229.09743	3.7
231.07675	4.0
234.25887	1.9
237.10236	3.4
238.08669	2.5
241.09613	10.0
255.07626	11.8
255.11238	9.3
259.07056	2.3
265.09598	4.2
267.07635	2.6
269.09210	12.9
273.08688	7.5
283.10767	31.2
287.10260	3.2
293.08905	4.1
293.38046	1.7
301.11758	4.1
311.10239	46.1
319.12616	2.0
329.11279	84.4
347.12354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63414	2.1
55.05494	3.7
55.43184	2.2
56.05026	8.1
56.96554	7.8
60.04264	3.0
60.04515	25.9
69.03413	5.5
69.07055	3.7
70.06569	8.5
72.07745	5.1
72.08148	100.0
73.08464	12.4
74.06072	13.1
81.57796	2.3
83.06094	17.5
84.04495	61.2
84.08134	19.0
85.02895	5.3
86.06063	4.0
86.09701	76.1
86.27912	2.4
87.05579	12.1
88.03995	4.2
90.05522	2.4
96.04490	7.2
97.02880	4.4
101.07133	9.8
102.05531	2.9
106.05025	13.6
108.08090	14.1
109.08457	9.0
113.03485	78.3
114.09196	2.6
115.96034	2.4
116.07029	2.6
118.08667	6.1
123.04404	2.8
124.07555	3.3
125.08014	3.1
126.05513	4.9
128.10696	5.7
129.06621	5.2
129.10197	15.1
130.04994	36.0
131.08177	7.2
134.06024	9.8
135.06351	5.4
136.06175	43.1
136.07260	4.1
136.07440	3.2
137.07877	3.1
138.05495	23.0
140.03503	2.6
140.07066	3.0
143.11798	5.6
144.06529	3.4
147.07640	48.5
152.07040	25.7
153.07401	23.3
159.07657	6.7
159.11293	4.3
161.09163	3.3
169.06099	21.2
171.11284	2.9
171.14943	5.2
173.12856	28.8
175.10751	3.3
180.57483	2.7
184.09628	7.5
185.10030	11.4
187.14374	5.0
189.12415	3.4
196.14514	8.6
197.12871	8.9
199.14265	2.8
201.12376	4.7
214.15549	4.3
215.06612	23.5
215.13901	4.6
216.09801	3.3
224.13977	5.4
228.13347	4.5
275.93893	3.5
315.12726	3.8
329.18042	10.4
334.77130	3.3
346.56805	2.9
347.15506	5.6
347.22845	3.4
348.07159	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	347.2426
Annotation	oscr#20
Peak:m/z	Relative Intensity
52.96131	2.7
55.01876	4.1
55.05505	22.6
63.86807	3.4
67.05494	60.9
69.07044	26.3
69.85793	3.1
70.83669	3.4
71.04974	14.4
71.23055	3.5
79.05480	33.9
81.07046	77.6
83.04964	8.3
83.08594	11.8
85.06535	6.8
91.05463	26.5
93.07038	37.9
95.04939	4.3
95.08587	49.8
97.06524	11.7
97.10148	12.3
105.07027	21.2
107.04900	3.6
107.08590	19.4
109.10119	26.4
111.08057	5.5
114.68907	3.9
119.08577	14.8
121.10135	27.9
123.11713	10.5
125.09603	4.3
131.08548	16.5
133.10135	15.3
135.11656	8.6
137.09596	5.6
138.14305	3.7
138.65547	4.0
139.11169	4.9
145.10133	15.8
147.11705	10.9
149.09625	5.1
149.13240	5.7
153.09109	11.1
159.11717	13.6
163.11169	4.9
167.10669	10.5
173.11749	6.8
173.13203	7.8
177.12729	7.9
191.14229	4.2
200.62097	4.0
205.84250	3.7
214.50516	3.7
229.19528	5.5
231.42906	3.6
239.17924	6.7
257.13367	4.6
257.18970	9.9
265.21487	7.7
275.20001	63.2
293.21091	100.0
311.22031	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	347.2578
Annotation	Ginkgoic acid
Peak:m/z	Relative Intensity
55.05495	3.6
55.89234	1.8
57.07059	3.2
58.62912	1.7
58.92309	1.6
66.30797	1.8
69.07053	7.6
71.08638	2.9
77.59966	1.8
83.08591	3.5
85.73687	2.4
91.05477	17.5
92.05799	4.9
93.07052	2.2
105.03416	3.9
105.07013	4.9
107.04959	9.1
125.95510	2.6
131.15968	2.4
133.06494	7.7
135.04408	4.2
145.06508	3.3
147.08087	7.7
151.02689	5.8
151.03897	100.0
161.05986	6.8
163.15714	2.1
165.69115	2.2
168.56830	2.3
175.07460	5.0
177.58250	2.5
179.07069	8.4
219.50983	2.4
329.24741	7.9
347.25677	15.9
347.31378	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	347.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	3.1
57.07060	3.3
66.48390	1.2
67.05506	1.3
67.61017	1.1
69.07050	5.3
71.08614	2.4
79.05486	2.0
83.08607	2.4
84.16180	1.4
91.05479	2.7
91.71071	2.5
93.07032	2.0
95.04943	1.8
97.10177	1.8
105.03384	4.7
105.07008	9.3
107.04944	9.1
117.07069	1.8
119.08598	2.6
122.40337	1.3
126.02116	1.4
131.08557	2.5
133.02884	2.3
133.06502	8.2
135.04427	3.3
145.06531	1.8
147.08040	7.7
151.03897	100.0
155.75235	1.4
161.05978	7.4
173.09534	1.4
175.07545	4.0
179.07021	8.6
193.08636	2.6
197.54866	1.6
329.24774	5.2
347.25757	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	347.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00569	0.7
51.36055	0.7
53.38570	0.6
55.05506	4.5
57.07059	2.8
59.58775	0.7
67.05478	2.4
69.07047	6.1
71.08614	1.8
79.05470	2.2
80.45467	0.7
81.07030	2.3
83.08598	2.4
85.10172	1.0
86.62823	0.9
91.05466	3.2
93.07027	1.9
95.04927	1.2
95.08598	2.0
100.53902	0.8
105.03368	5.2
105.06998	7.3
107.04945	10.0
107.08609	1.4
109.05447	0.9
111.11691	1.2
117.07034	1.7
119.08592	2.7
131.05002	0.8
131.08559	1.4
133.02838	1.0
133.06487	6.5
135.04414	3.6
142.92310	0.8
145.06468	2.8
147.08037	5.3
151.03893	100.0
159.08018	1.3
161.05948	4.3
161.09578	1.4
165.05528	1.1
175.07533	3.3
179.07022	11.6
185.09674	1.1
189.09125	0.9
193.08580	3.3
198.61443	0.9
329.24652	7.9
347.25787	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2578
Annotation	Ginkgoic acid
Peak:m/z	Relative Intensity
54.74836	1.1
55.05500	3.3
57.07060	3.6
59.43838	1.1
63.28739	1.1
66.79771	1.1
68.62630	1.2
69.07047	6.1
71.08639	1.8
73.97227	1.3
78.53258	1.5
83.08595	3.1
91.05464	2.8
93.07011	3.0
95.08574	1.6
97.10154	2.3
105.03381	7.6
105.07024	6.5
107.04956	9.6
117.07019	2.4
119.08585	2.8
121.06575	2.5
131.08554	1.6
133.02826	2.6
133.06476	9.6
135.04480	2.3
145.06442	3.3
147.08037	7.2
151.03899	100.0
161.05971	5.0
161.09656	1.6
165.05499	3.2
175.07567	3.5
179.06987	7.4
191.54474	1.5
193.08653	3.3
329.21051	1.7
329.24490	7.9
347.25635	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29047	3.9
55.00255	4.0
55.05496	15.4
57.07056	6.0
57.82988	3.9
65.44372	3.6
67.05497	72.7
69.03448	3.8
69.07048	30.9
69.76622	5.4
71.04972	5.0
72.09538	5.1
73.34093	4.5
77.42574	4.4
78.65501	4.9
79.05484	11.5
81.07043	100.0
83.08604	14.3
85.06515	4.3
91.05456	12.9
93.07026	24.9
95.04976	5.4
95.08034	7.4
95.08594	64.6
95.81453	4.2
97.10159	10.4
102.88336	5.1
105.06996	5.6
107.08588	16.5
108.08121	5.2
109.08378	4.8
109.10136	38.3
119.08591	10.7
121.10130	17.4
123.11663	20.9
131.08574	6.7
133.10118	7.5
135.11674	8.3
145.10130	4.5
147.11691	7.3
149.13252	9.3
151.03923	8.1
172.88248	4.6
173.13196	5.9
243.21085	8.1
261.22159	16.1
264.13504	5.1
279.23166	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2942
Annotation	5-(Heptadec-12-enyl)resorcinol
Peak:m/z	Relative Intensity
53.00294	2.2
55.05503	21.9
57.07061	12.0
59.67052	2.3
60.20285	2.2
61.69123	2.5
67.05499	31.3
69.07056	32.2
71.08595	4.7
79.05479	7.4
81.07046	25.9
81.40910	2.5
83.08601	21.8
89.25121	3.2
91.05462	13.3
91.71659	4.0
93.07066	13.9
95.04964	30.8
95.08590	30.5
97.10168	7.7
105.07021	9.6
107.04946	100.0
107.08597	8.2
109.10163	12.5
109.10966	2.7
111.11689	4.7
117.07007	3.7
117.61488	2.6
119.08614	6.1
121.06519	7.2
121.10129	4.1
121.88139	2.8
123.51682	2.7
125.13317	3.3
133.06479	25.5
133.10158	4.2
135.08052	4.2
135.11678	3.5
147.07996	20.3
151.03925	3.9
157.63680	3.2
161.09671	5.0
161.13316	3.1
177.12897	3.4
207.62291	3.5
258.13531	3.8
329.28433	6.7
347.29547	10.7
350.35587	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	347.2941
Annotation	5-(8Z-Heptadecenyl)-1,3-benzenediol
Peak:m/z	Relative Intensity
53.00296	2.6
53.03926	1.6
55.01857	3.8
55.05503	28.4
57.03445	1.5
57.07074	10.2
65.03938	4.9
67.05493	96.9
67.77308	1.7
69.03436	1.9
69.07057	52.3
70.90735	1.7
71.08615	3.2
79.05485	32.1
79.95499	1.6
81.03436	1.9
81.07047	100.0
83.04964	4.1
83.08606	27.8
85.06514	1.9
85.10137	2.7
91.05471	28.1
93.07034	39.4
95.04964	21.3
95.08598	82.1
97.06522	14.3
97.10162	18.9
101.10251	1.5
102.28860	1.7
105.07040	21.1
107.04946	47.7
107.08591	23.6
108.67986	1.7
109.06502	12.8
109.10139	33.1
111.11719	6.8
113.06010	7.2
117.07010	11.1
117.91896	1.8
119.08570	14.0
121.06488	9.1
121.10136	24.0
123.08076	16.0
123.11696	12.3
129.07004	5.8
131.08563	18.2
133.10144	17.1
135.08058	4.5
135.11688	15.1
137.09630	3.1
137.13258	5.4
139.07574	4.3
143.08604	2.7
145.10097	11.8
147.08043	5.4
147.11670	5.7
149.09590	10.7
149.13264	6.2
151.14848	3.8
157.10089	4.1
159.11707	5.8
161.13272	6.5
163.11177	3.1
163.14830	2.4
165.16252	2.1
167.10692	2.5
171.11734	3.5
173.13254	6.2
175.14801	6.3
177.12770	2.4
177.16237	2.3
185.13210	4.1
189.16220	2.4
199.14803	3.6
201.16356	3.2
235.99327	2.1
237.18533	3.2
251.19923	2.4
311.27219	18.8
329.28436	20.2
347.29309	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	347.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06210	3.6
55.01882	4.1
55.05503	35.2
55.23811	3.8
57.07055	6.0
58.13479	3.8
61.19323	5.2
67.05495	76.8
68.17393	4.1
69.07064	42.4
69.98784	4.1
70.39901	4.3
72.50646	4.4
72.91067	4.5
74.74113	4.4
79.05485	28.6
79.35236	4.6
81.06604	6.8
81.07050	100.0
83.04972	5.1
83.08603	17.3
88.81184	5.1
91.05456	36.7
92.61905	4.8
93.07040	38.1
95.04971	19.6
95.08591	67.7
97.06529	8.6
97.10177	16.7
100.62889	4.7
102.86407	5.8
105.07012	21.4
107.04964	40.9
107.08585	14.9
109.06525	9.9
109.10154	30.9
113.06084	5.3
117.07052	11.8
119.08589	14.3
121.06522	7.0
121.10132	20.5
123.08049	11.3
123.11713	9.7
124.48463	4.8
131.08540	12.8
132.99217	4.8
133.06462	6.6
133.10141	12.3
135.11700	16.6
136.12798	5.2
143.08549	6.8
145.10170	14.4
145.15286	5.1
147.08055	7.0
147.11708	8.4
149.09583	7.8
159.11690	8.9
161.63509	5.9
171.11668	6.0
216.60411	6.0
252.82588	6.0
311.27246	14.7
329.28476	15.1
347.29358	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	348.165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25490	3.6
57.07067	49.9
69.03399	4.1
83.78542	4.2
84.11248	4.2
85.02934	5.6
91.05511	6.8
91.33028	4.3
91.71065	5.6
93.07038	12.4
95.08552	5.8
104.73562	4.8
105.07033	10.6
107.04964	7.0
107.08594	38.8
109.06487	4.7
117.06959	7.3
119.08609	10.3
121.10156	8.9
131.08476	5.1
133.10149	19.4
147.04437	7.2
147.11667	10.3
149.05981	14.1
151.07520	11.4
151.11197	34.4
157.10220	8.4
161.09674	7.2
165.05501	6.6
175.11241	10.9
181.44737	6.3
185.09628	8.7
193.49263	5.2
203.10709	17.4
221.11703	8.6
231.10110	8.2
249.11220	13.7
262.37372	6.2
267.12219	29.3
277.10745	8.4
295.11737	100.0
313.12820	60.4
331.13870	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	348.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95230	1.4
68.22456	1.6
69.03419	4.6
73.02872	1.6
81.03392	2.0
85.02895	23.4
91.05459	16.5
95.04976	4.0
97.02898	5.0
107.04909	2.0
109.02888	2.1
119.04900	10.6
122.17883	1.9
127.03923	5.0
137.05977	2.5
143.13370	2.0
145.04868	3.4
151.07535	100.0
151.46106	2.2
169.08591	6.3
248.26726	2.2
288.96964	2.0
297.65469	2.4
320.78024	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.2
56.96567	0.2
63.44551	0.2
65.03922	0.4
76.80554	0.2
78.04681	0.5
79.05471	0.7
80.06261	0.8
84.61723	0.2
85.02882	0.6
90.04674	0.5
91.05473	2.4
93.03410	0.2
95.04938	0.3
96.16153	0.2
98.97555	0.4
105.03386	0.6
106.04156	0.7
107.04943	6.6
107.08588	0.2
108.05730	3.2
131.08559	2.1
132.08888	1.1
133.09221	0.6
135.04414	1.4
136.05197	1.6
149.09630	0.9
151.07530	100.0
152.07889	0.7
210.91533	0.3
270.54099	0.2
270.57397	0.2
367.10452	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48809	1.7
57.03435	2.4
61.02952	1.7
61.80754	1.5
69.03436	7.6
78.62493	1.6
81.03430	3.6
85.02895	26.4
85.03375	2.4
91.05476	15.6
97.02880	4.2
107.05012	2.5
119.04936	10.3
127.03970	3.7
136.05273	2.8
139.03879	9.9
140.04298	7.5
145.04970	4.9
151.07529	100.0
152.48470	2.1
169.08673	6.2
306.32416	2.0
326.02878	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87266	1.0
56.09727	1.0
62.50853	1.3
67.05496	4.0
67.64559	1.4
69.03413	1.7
69.07019	1.7
69.67508	1.2
72.90607	1.4
79.05495	2.2
81.07043	16.0
85.02901	4.1
93.07043	8.2
95.04967	3.6
95.08582	1.7
105.07061	1.9
107.08590	15.6
108.84034	1.4
109.10152	19.1
122.51405	1.5
123.11701	26.1
133.10133	5.6
151.07423	1.6
151.11177	14.9
153.28479	1.8
169.12224	100.0
249.12082	1.4
318.23816	1.6
348.08212	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87266	1.0
56.09727	1.0
62.50853	1.3
67.05496	4.0
67.64559	1.4
69.03413	1.7
69.07019	1.7
69.67508	1.2
72.90607	1.4
79.05495	2.2
81.07043	16.0
85.02901	4.1
93.07043	8.2
95.04967	3.6
95.08582	1.7
105.07061	1.9
107.08590	15.6
108.84034	1.4
109.10152	19.1
122.51405	1.5
123.11701	26.1
133.10133	5.6
151.07423	1.6
151.11177	14.9
153.28479	1.8
169.12224	100.0
249.12082	1.4
318.23816	1.6
348.08212	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48725	0.7
56.11801	0.5
56.69784	0.5
57.03419	0.6
57.07064	0.9
59.04994	1.0
67.05487	1.1
69.03412	2.3
73.02896	0.6
79.05461	0.9
81.03394	0.9
81.07042	1.9
82.33303	0.6
82.82059	0.6
83.04980	0.5
85.02451	0.6
85.02901	7.6
91.05470	6.0
93.07005	1.3
97.02887	2.5
104.72855	0.6
105.07028	5.3
107.08586	100.0
108.08940	1.1
109.06528	3.1
109.10150	4.2
119.06022	1.0
123.08046	2.2
123.11709	1.4
127.03925	0.9
133.10100	4.4
137.05876	0.9
145.04950	1.1
151.07605	1.3
151.11172	43.5
169.12215	2.1
212.32898	0.8
212.89554	0.6
258.41711	0.6
277.43500	0.6
284.97235	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2743
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
55.05495	6.5
55.47889	3.0
56.05017	7.0
60.04518	100.0
64.79874	2.6
67.05498	22.7
69.07067	7.8
69.97607	2.7
70.06583	10.4
75.82549	2.7
79.05482	11.1
81.07056	22.7
82.06515	3.5
83.08611	9.3
91.05462	9.3
91.71585	4.4
93.07031	21.8
95.04940	3.2
95.08600	20.1
100.07610	3.4
107.08595	11.5
109.10167	8.9
121.10086	9.3
121.60083	3.8
121.61144	3.4
125.54166	3.6
130.95253	3.5
133.10117	4.4
135.11775	7.8
136.06178	35.8
149.13237	4.2
193.16696	3.7
216.47639	3.3
277.21701	5.1
288.05737	4.0
294.24249	9.6
312.25284	18.0
330.26300	30.6
348.07974	18.0
348.20358	9.8
348.27383	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46866	2.5
55.05499	7.3
55.50465	2.6
56.05023	4.5
56.54480	2.5
60.04519	100.0
66.26639	3.2
67.05501	30.7
69.07058	12.6
70.06578	8.2
72.23194	3.2
79.05479	12.7
79.72363	3.4
81.07054	34.1
82.06583	4.3
83.08614	6.4
83.25404	2.9
85.49162	2.8
91.05470	9.3
93.07036	20.8
95.08611	29.3
101.75677	3.5
105.06989	5.6
107.08595	15.1
109.10164	7.7
110.66020	3.2
111.08088	4.2
121.10098	9.6
133.10168	4.5
135.11655	5.0
136.06189	43.7
154.77988	3.4
167.16739	3.7
181.06125	3.8
276.23245	5.7
294.24390	11.1
312.25143	21.7
330.26413	54.1
348.20374	14.4
348.27386	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2743
Annotation	Broussonetine M
Peak:m/z	Relative Intensity
60.04517	100.0
61.31185	1.1
67.05508	3.2
69.07071	2.1
71.01360	1.2
71.04984	1.3
79.05489	0.9
81.03432	4.0
81.07059	3.9
83.08640	1.0
91.05505	1.2
93.07037	1.8
95.04964	0.8
95.08623	2.9
96.04507	1.1
97.02888	1.3
105.07027	1.3
111.36588	0.8
112.73141	0.9
121.10175	2.0
135.11803	1.2
136.06189	1.2
176.33571	0.9
215.20377	0.9
259.20609	1.9
277.21634	5.4
294.24167	6.1
295.22784	4.0
312.25250	6.8
318.63449	1.0
320.10632	1.2
330.26630	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67982	5.8
53.00290	5.9
53.96843	6.6
55.05493	23.9
56.05031	6.8
56.96554	12.8
57.03432	6.0
58.92841	7.1
60.04521	90.6
66.76151	6.0
67.05496	100.0
69.07043	17.7
71.08618	10.3
73.56966	6.1
75.50733	7.0
78.15588	7.1
78.21674	6.7
79.05485	19.9
80.83312	6.5
81.07053	57.4
83.08607	25.3
91.05464	18.2
93.07033	42.2
95.08577	28.4
97.10173	18.0
99.08102	11.6
105.07022	13.7
105.53827	7.0
107.08583	17.4
108.05243	8.3
109.10161	71.4
119.08579	17.1
121.10168	8.7
125.09600	9.1
131.08592	11.6
149.13231	9.2
151.11072	14.6
155.10669	21.9
159.11655	10.5
173.11746	81.6
189.11258	10.2
213.14861	13.1
241.11092	7.7
253.19417	9.3
277.21591	28.8
295.22699	17.2
299.19946	9.4
342.00476	8.4
353.37399	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	348.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	5.7
67.91135	4.8
75.60795	5.0
79.44424	5.2
79.46831	5.6
93.71556	6.9
106.06548	18.6
107.07333	66.2
119.19958	6.5
120.08087	27.3
134.09613	12.1
151.03903	17.9
204.69223	6.6
288.26947	8.0
302.28418	100.0
319.24118	7.0
348.29044	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	349.0705
Annotation	Justicidin E
Peak:m/z	Relative Intensity
53.10443	2.9
58.46579	2.6
59.52711	2.3
59.59628	2.8
92.47660	2.8
98.43642	2.8
102.83321	2.7
124.30077	2.6
135.04442	7.9
137.05972	5.5
141.34059	3.2
149.02335	9.9
166.40883	3.2
176.06232	3.4
177.06926	11.4
189.07024	6.6
205.06479	33.2
233.05942	30.3
235.07541	7.4
236.44896	3.3
261.05374	13.3
263.06985	25.6
271.73047	3.4
273.05563	4.5
275.06985	4.4
291.06448	63.1
303.06451	4.1
319.06052	12.8
320.06766	3.8
321.07571	5.0
331.05893	15.4
332.06699	4.1
348.30582	4.0
349.06992	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04513	2.5
81.07027	3.5
83.71569	2.0
96.24564	2.0
97.41477	2.3
97.86720	2.1
115.51852	2.9
122.02687	2.3
202.08966	3.9
250.06030	2.5
349.08896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0917
Annotation	1,7-Dihydroxy-2,3,4,5-tetramethoxy-xanthone
Peak:m/z	Relative Intensity
54.58633	6.0
58.01027	6.1
59.04999	6.6
67.05498	17.5
68.99787	6.6
69.03435	12.5
69.07054	6.9
71.05006	9.6
73.50195	6.6
79.05509	13.4
81.07050	45.8
85.02911	17.3
85.06562	20.2
91.05497	23.7
93.07069	26.4
95.04974	15.0
95.08612	11.4
103.64938	7.5
105.07027	16.9
107.08580	48.9
109.06548	8.8
109.10188	33.9
111.00846	18.4
121.02859	9.5
123.04498	17.9
123.11726	17.9
123.96375	7.0
133.06480	11.4
133.10162	29.3
147.08157	8.3
149.02322	54.3
151.11183	64.9
153.01877	25.5
153.05508	15.3
161.06003	9.0
163.98605	7.5
167.07039	50.3
169.12199	36.8
177.05577	7.7
180.68256	9.6
195.02878	17.7
195.81325	7.9
204.90161	8.5
213.05412	12.7
219.06564	11.5
228.04419	11.1
232.03896	15.4
241.04971	10.2
247.06023	100.0
247.08246	10.2
271.06131	22.2
275.09253	27.8
289.07257	8.1
299.05475	12.6
303.08615	85.1
330.94290	10.2
331.08044	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	349.128
Annotation	Syringopicrogenin B
Peak:m/z	Relative Intensity
56.74614	5.9
65.03947	29.5
66.48503	5.3
67.05508	11.9
69.07106	5.4
71.01355	9.4
79.05499	9.3
81.07066	10.4
85.02913	8.5
91.05495	6.1
93.03421	22.5
93.07085	10.8
95.04976	26.8
95.07755	6.0
97.06562	13.0
100.11284	11.6
107.05020	13.2
107.08592	11.4
109.10204	11.6
111.04490	11.0
121.02878	9.9
121.06522	14.3
125.06021	11.1
125.23596	7.0
135.04453	11.8
137.06015	29.5
147.04312	7.8
149.06032	28.4
151.03903	100.0
151.04988	7.7
153.05525	25.6
165.05524	7.1
167.07066	17.4
177.05528	16.0
178.06319	19.5
195.06560	12.0
196.07373	17.5
211.79886	7.9
237.12657	6.8
271.02457	22.7
290.07053	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	349.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67546	2.4
53.94087	2.8
56.96558	100.0
57.07071	3.2
59.23031	2.9
59.65327	2.9
63.82249	3.0
65.08553	2.6
65.22090	2.5
67.05518	3.5
74.96944	3.1
81.07060	4.9
93.07038	4.7
95.08665	3.4
97.99197	3.6
98.97575	35.7
113.06737	3.1
116.98598	36.6
133.10133	3.3
134.99654	16.7
140.00194	32.0
147.08087	4.3
157.01834	4.9
158.01215	26.8
171.03360	3.8
180.03384	4.1
181.02794	24.3
198.04417	6.3
205.05434	3.7
216.18410	3.9
223.06448	6.9
246.08083	10.4
249.07927	22.0
264.09348	3.7
267.09091	26.6
272.09698	15.3
275.20172	5.2
278.48901	4.0
290.10577	44.0
307.12131	6.4
309.10226	7.1
313.12402	9.4
330.14001	6.2
332.11777	19.5
348.14600	3.8
349.13168	88.8
355.30307	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	349.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05642	30.9
63.26073	3.0
69.81147	2.5
70.06578	100.0
70.06944	6.7
71.04980	10.8
72.05447	3.0
72.08139	6.6
88.84185	2.7
95.06068	4.5
98.91973	2.6
107.04944	5.3
112.00964	2.7
112.08705	10.8
115.08698	6.2
116.07085	21.2
120.87956	3.2
125.86281	2.9
130.09752	9.2
138.55820	3.1
152.35393	3.0
158.09288	11.1
175.11884	90.3
181.41093	3.1
236.05440	4.6
349.13541	48.9
363.66891	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	349.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.5
55.05508	4.0
56.05035	6.4
56.96553	6.1
57.03423	9.5
58.99572	12.1
61.37318	3.7
69.07044	4.0
70.06581	20.9
70.21608	3.1
72.08146	15.7
73.95738	3.2
76.02213	14.4
79.05484	6.1
81.03397	4.1
81.07046	100.0
84.04501	83.3
84.08112	5.9
86.00639	6.1
86.09698	16.0
86.99055	8.8
87.02682	50.5
91.05474	6.8
93.07011	4.8
97.89290	3.9
99.08096	7.2
102.05496	4.2
105.00069	9.9
110.07159	6.7
116.07058	5.3
119.08529	4.0
120.08081	5.4
122.02721	62.5
122.65704	4.0
130.05019	11.3
132.01143	16.3
139.03882	6.6
159.04753	12.3
202.08951	64.7
203.07370	16.5
220.10025	5.3
233.15154	4.3
251.06969	6.7
318.66736	4.6
331.13162	6.9
349.08978	15.6
349.14282	13.4
349.22122	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	349.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26662	0.5
56.45086	0.7
66.04710	0.7
68.53511	0.8
77.52758	0.7
81.07018	0.9
81.33234	0.7
94.04177	3.9
103.05441	0.8
112.11981	0.8
120.38620	0.7
122.03622	5.3
137.05968	100.0
163.07510	1.1
184.73399	0.8
193.15417	0.7
195.35794	0.9
233.87242	0.9
267.27124	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53784	5.1
56.38221	4.4
56.75357	4.5
59.04976	8.7
67.05491	16.9
69.03400	7.7
69.07063	6.8
70.06591	6.6
81.07037	52.5
85.02854	10.0
91.05467	29.2
91.71012	6.4
93.07030	100.0
95.04932	8.5
95.08590	14.7
95.55059	6.3
97.02927	8.0
105.04620	5.7
105.07018	19.0
107.08579	96.8
109.06538	7.3
109.10178	9.7
123.11723	31.3
127.03915	6.6
132.23984	7.4
133.10155	34.6
139.03951	7.5
147.31117	6.7
151.11169	76.8
155.07091	7.9
178.45134	6.5
335.13239	7.7
371.05481	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	349.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47391	9.1
59.04977	22.9
67.05480	13.7
79.05500	14.7
81.07050	52.6
82.42720	9.8
85.02902	18.1
87.91184	10.6
89.92799	10.0
91.05478	35.8
93.07032	71.5
95.04945	12.8
95.08572	11.0
105.07037	21.4
107.08585	100.0
109.06490	11.6
109.10164	10.9
123.11706	44.3
133.10126	42.7
145.04935	11.9
151.11168	69.6
155.07111	15.3
181.27435	10.8
198.02303	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	349.1984
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
53.55334	1.9
54.00473	2.1
57.29949	2.3
60.04518	22.0
65.93973	2.0
72.11868	2.3
78.35450	2.4
81.07050	5.3
84.72960	2.5
91.05445	3.9
95.08620	3.9
105.06993	3.3
107.51010	2.8
122.04713	2.7
147.08067	3.2
157.27916	2.6
173.61369	3.1
321.90912	3.2
349.19824	100.0
350.77841	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	6.9
55.05501	14.8
57.03420	23.1
60.04484	5.4
67.05500	36.5
69.07053	21.1
79.05517	27.4
79.05915	7.1
81.07051	59.7
83.04972	11.3
83.08615	6.1
86.14232	5.0
89.79152	5.2
90.92796	4.9
91.05496	34.9
93.07030	35.4
95.04946	9.6
95.08609	24.9
97.06514	6.0
101.63793	4.8
105.07003	35.1
107.04951	11.5
107.08614	27.8
109.06506	13.5
109.10130	13.8
116.08865	5.9
117.07022	7.0
119.08582	20.8
119.16008	5.5
121.06490	13.9
123.08047	5.8
131.08578	20.1
133.06509	6.0
133.10124	26.2
135.08113	6.6
135.11655	7.7
141.59410	5.6
145.10130	21.6
147.11636	11.3
149.13232	5.8
159.11685	12.2
161.09515	7.0
163.11215	8.7
169.89017	5.5
173.09621	6.8
185.13222	5.6
224.38109	5.4
257.19128	15.5
275.20041	100.0
286.42349	5.9
293.21097	9.9
349.23706	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57975	3.0
53.00288	4.8
55.01859	5.9
55.05503	22.8
57.03428	21.6
57.07061	6.7
57.10278	3.6
58.77649	3.1
67.05501	56.6
68.00430	3.5
69.07059	28.5
79.05481	27.7
81.07050	55.2
83.04964	14.0
83.08618	10.5
91.05479	41.4
93.07041	56.4
95.04962	20.6
95.08595	30.3
97.06517	6.8
105.07017	48.5
107.04940	16.2
107.08597	26.8
109.06515	16.8
109.10147	14.9
111.08022	4.0
117.07027	13.0
119.08566	22.7
119.23099	3.5
121.06499	17.8
121.10143	12.0
123.08092	10.2
129.06984	4.3
131.08563	26.1
133.06483	4.8
133.10130	21.0
135.08119	5.6
135.11716	9.0
143.08562	5.0
145.10110	20.2
147.08046	7.6
147.11670	20.0
149.09636	14.3
149.13171	4.4
151.11192	7.1
159.11719	9.4
161.09573	4.6
161.13196	4.0
163.11185	5.6
173.09505	4.8
173.13272	7.0
183.11731	4.5
187.22833	3.8
201.12741	5.6
239.17909	6.6
247.20549	5.3
257.19061	17.8
275.20041	100.0
293.21075	7.5
349.23737	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	20.1
55.01863	19.3
55.05509	32.6
57.03429	23.7
67.05495	94.5
69.07062	76.8
77.00887	9.0
79.05490	38.0
81.03418	39.7
81.07044	100.0
83.04972	23.2
87.37167	7.5
91.05471	83.6
93.07031	67.7
95.01334	28.8
95.04977	32.1
95.08612	69.1
97.06537	20.1
97.94610	7.6
105.07022	72.8
107.04955	48.3
107.08613	28.9
109.06502	11.3
109.10130	15.4
116.67778	7.9
117.07038	25.8
119.08575	58.5
121.06568	10.6
121.10210	10.0
127.98792	7.7
131.08578	32.7
133.10152	44.4
135.11717	10.7
136.54918	8.9
145.06497	10.4
145.10147	20.6
147.11705	16.0
149.09601	9.2
149.13295	9.2
159.11691	15.6
163.11125	8.9
177.12706	11.0
179.14351	21.0
275.19855	51.1
349.19821	13.8
349.23746	33.6
360.96643	10.2
362.31137	9.6
373.08484	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04224	5.9
54.85423	5.1
55.05497	12.3
57.03434	5.6
59.63058	5.7
60.01859	6.3
67.05486	27.8
69.07063	9.5
79.05489	22.0
81.07049	100.0
84.18057	6.5
91.05479	21.7
93.07024	19.7
95.08569	15.9
102.08546	6.6
105.07043	31.8
107.08579	6.7
107.79031	6.6
109.06523	28.0
113.34410	7.9
117.07036	8.6
119.08568	20.1
121.10172	12.0
130.01295	6.5
131.08585	8.0
133.10147	14.0
145.10185	18.8
149.13222	10.6
187.11472	7.6
247.20853	8.7
275.20193	14.0
282.92380	9.1
286.82880	7.5
349.23807	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59519	11.5
55.01860	10.9
55.05499	11.2
56.96560	14.3
57.03415	25.4
58.36509	9.1
67.05488	46.8
69.07050	38.3
79.05479	36.0
79.79259	10.3
81.07044	60.3
83.04943	14.3
91.05471	49.0
93.07042	41.6
95.04991	14.9
95.08580	30.9
102.19511	10.6
105.07041	36.7
107.04958	13.2
107.08600	26.6
109.06475	13.8
119.08583	38.6
121.06506	14.9
131.08556	21.2
133.10144	28.4
145.10074	18.7
147.08134	17.3
151.11198	15.1
211.43864	11.7
245.55777	13.4
261.34766	11.9
275.19983	100.0
349.20020	16.5
349.23776	30.3
350.69247	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	20.1
55.01863	19.3
55.05509	32.6
57.03429	23.7
67.05495	94.5
69.07062	76.8
77.00887	9.0
79.05490	38.0
81.03418	39.7
81.07044	100.0
83.04972	23.2
87.37167	7.5
91.05471	83.6
93.07031	67.7
95.01334	28.8
95.04977	32.1
95.08612	69.1
97.06537	20.1
97.94610	7.6
105.07022	72.8
107.04955	48.3
107.08613	28.9
109.06502	11.3
109.10130	15.4
116.67778	7.9
117.07038	25.8
119.08575	58.5
121.06568	10.6
121.10210	10.0
127.98792	7.7
131.08578	32.7
133.10152	44.4
135.11717	10.7
136.54918	8.9
145.06497	10.4
145.10147	20.6
147.11705	16.0
149.09601	9.2
149.13295	9.2
159.11691	15.6
163.11125	8.9
177.12706	11.0
179.14351	21.0
275.19855	51.1
349.19821	13.8
349.23746	33.6
360.96643	10.2
362.31137	9.6
373.08484	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73099	7.4
51.73343	7.9
55.05496	15.9
57.03429	9.3
57.07061	8.7
67.05494	49.1
69.07047	33.1
69.07413	8.0
79.05481	41.2
81.07049	70.2
83.04946	11.5
89.15792	8.4
91.05469	45.2
91.16564	8.8
93.07021	52.0
95.04964	21.7
95.08607	46.1
105.07037	46.1
107.08585	30.6
109.06517	20.3
109.10089	14.1
114.75563	8.7
117.07084	10.2
119.08571	28.6
121.06512	16.3
121.10143	14.2
131.08594	28.2
133.10124	32.1
135.08095	10.6
145.10149	32.1
147.08179	11.5
147.11699	17.8
151.11166	13.7
159.11681	11.9
163.11115	21.4
214.29047	10.6
257.19025	23.8
275.20065	100.0
349.23792	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48037	2.1
57.06803	4.0
57.07067	58.2
71.08622	36.6
73.06547	4.1
85.10168	21.0
89.06019	100.0
94.89711	3.4
96.72758	2.6
97.10217	2.6
104.54493	2.5
107.07069	6.7
130.08662	21.3
133.08606	34.9
139.07991	2.9
145.11789	3.3
151.09621	4.6
168.38155	3.8
177.11133	3.9
195.12267	15.1
209.91547	2.9
240.23276	3.4
349.29657	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	349.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26698	20.3
54.79184	26.1
55.05501	44.6
55.31375	23.8
57.80741	22.2
63.21193	23.7
67.05497	79.3
69.07037	54.6
70.38446	27.6
79.05499	40.0
81.07045	85.1
91.05463	69.5
93.07012	38.5
95.04985	47.6
95.08593	74.1
107.04947	100.0
109.06552	41.5
119.08549	41.4
121.10139	41.5
123.08047	34.4
131.08505	38.6
349.30890	97.8
358.29852	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.3101
Annotation	Resorcinin
Peak:m/z	Relative Intensity
51.94908	1.9
55.05495	9.7
57.07058	3.5
67.05508	10.3
69.07063	12.5
71.04941	2.2
79.05518	2.5
81.07059	11.5
83.08611	7.0
84.11321	2.2
85.02897	100.0
93.07037	4.1
95.08614	8.1
97.01292	2.5
97.10182	6.3
107.08587	2.8
109.10196	4.4
113.05993	3.9
118.97794	2.3
119.08675	2.8
123.11732	2.9
148.32079	2.9
173.46199	2.5
312.41995	2.9
328.64737	2.9
340.78357	3.1
349.30991	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	350.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	5.1
56.00145	2.2
57.03415	3.3
57.03722	2.1
59.04989	2.9
61.02898	4.3
67.05493	22.0
67.54594	3.0
69.03412	11.7
69.07059	20.2
75.46860	2.5
79.05492	16.9
81.03403	2.8
81.07044	13.0
83.08604	5.5
85.02889	32.5
86.09705	6.8
91.05450	8.4
93.07025	40.5
95.03366	2.5
95.04955	3.1
95.08597	22.7
97.02868	8.6
97.06537	3.4
105.07030	4.7
107.08585	47.0
109.10144	100.0
111.11728	5.5
112.74544	2.5
116.15005	3.0
119.08646	3.9
120.08116	13.6
123.11601	3.1
127.03942	5.4
130.41733	2.6
135.11684	83.3
143.11789	6.1
145.04955	4.4
153.12727	15.4
154.70468	3.1
171.13806	5.2
180.10225	10.2
308.37036	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	350.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.8
55.01846	4.1
55.05496	7.1
57.03418	8.0
57.07058	8.2
61.02916	6.1
67.05492	7.7
69.03423	23.9
69.07054	57.7
73.02915	4.1
79.05480	27.3
81.03397	7.3
81.07030	8.2
82.11721	2.8
83.08618	10.2
85.02895	89.2
86.09692	3.5
86.31321	2.6
91.03967	4.4
91.05476	16.3
93.07032	67.0
95.04960	4.0
95.08604	22.2
97.02885	15.0
97.06509	9.5
99.04443	4.5
105.07028	7.6
107.08589	66.0
107.09279	5.1
109.02851	4.9
109.10152	7.7
117.07038	3.4
119.08559	16.6
125.13214	6.0
127.03900	13.2
135.11690	100.0
135.48045	2.7
145.04994	18.4
148.73933	2.8
149.35072	2.6
153.12746	13.5
163.05933	2.8
298.68381	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	350.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97939	0.9
52.62572	1.0
55.05489	1.5
57.03426	1.4
61.02898	3.1
67.05488	1.7
69.03429	7.9
69.07049	4.2
71.04982	1.2
79.05028	1.7
79.05478	23.2
81.03385	2.0
81.07041	5.7
85.02894	37.6
91.03941	1.6
91.05472	5.9
91.43526	1.2
93.07032	44.1
93.63180	1.3
95.04954	1.9
95.08530	1.6
97.02879	8.7
97.06554	2.5
98.97577	2.7
99.04450	1.6
105.07037	1.8
107.08583	30.6
109.02856	2.1
115.80537	1.2
127.03909	6.5
132.18961	1.3
133.10123	1.6
134.15044	1.2
134.85027	1.2
135.11681	100.0
135.46638	1.3
137.13225	2.7
141.82170	1.4
145.04945	8.6
153.12730	4.1
158.99519	1.4
163.05972	1.8
191.96303	1.3
193.66911	1.2
236.41492	1.6
241.89241	1.4
288.99762	1.3
366.42633	1.5
372.41357	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	2.9
56.78720	2.5
57.03419	8.9
61.02908	4.8
63.89798	2.7
64.96397	2.8
69.03416	19.9
73.02901	4.5
79.05497	7.7
81.03397	6.7
81.07039	9.9
83.04976	5.2
84.85567	2.8
85.02898	100.0
89.44368	3.0
93.07008	19.7
93.79530	3.1
95.08601	6.1
97.02877	21.4
107.08611	28.1
109.02893	9.8
109.10149	14.6
123.11694	5.2
127.03066	3.4
127.03880	21.4
128.73502	3.4
130.33504	3.2
135.11685	40.2
145.04945	43.9
153.12708	25.0
163.06020	14.1
176.64554	3.8
194.15384	3.5
242.65120	3.4
289.75964	4.1
297.17099	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.2
55.05493	2.6
57.03414	6.5
58.81216	1.7
61.02905	7.6
67.05471	4.5
69.03415	20.5
69.07063	2.4
71.04981	3.9
73.02914	3.9
74.43771	2.3
79.05477	8.8
81.03406	7.3
81.07044	11.2
83.04970	2.8
85.02892	100.0
87.04453	2.2
91.03941	8.7
91.05492	2.2
91.71621	2.4
93.07044	22.4
95.08612	6.7
97.02884	21.2
97.06508	2.1
97.10149	2.3
99.04426	4.0
104.13235	2.0
107.08592	30.1
109.02894	5.5
109.10153	17.5
123.11686	3.3
124.59394	2.2
127.03911	24.9
135.11678	44.6
141.08621	2.2
145.04947	38.9
153.12759	33.9
157.24190	2.0
163.06070	12.0
166.30753	2.1
193.78421	2.0
194.15376	5.4
206.60062	2.1
207.06065	2.1
276.70572	2.3
297.16882	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89857	2.8
52.55090	2.3
61.02908	4.0
66.38984	2.8
67.05505	17.7
69.03407	7.8
69.07048	9.3
78.50675	2.9
81.03384	3.5
81.07039	8.8
81.58473	3.2
83.04937	3.9
85.02887	35.8
86.09709	4.0
93.07034	9.4
95.08578	6.2
97.02858	7.0
107.08553	20.6
109.10147	100.0
110.10450	3.3
122.01381	3.1
127.03889	3.9
128.80237	3.3
135.11673	23.7
145.04898	5.7
153.12727	93.0
183.08324	3.6
194.15396	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	350.3051
Annotation	8,11,14-Eicosatrienoylethanolamide
Peak:m/z	Relative Intensity
55.05489	8.3
57.07065	8.4
57.80036	3.7
62.05780	7.9
62.06083	100.0
67.05489	22.0
69.07053	6.3
71.08631	5.7
79.05481	6.7
81.07050	18.1
89.06002	5.2
93.07050	12.6
95.08595	15.8
106.88194	4.9
107.08598	10.2
131.08548	5.1
140.54610	5.3
144.55678	5.7
151.09630	9.3
317.36053	8.1
347.41373	5.8
350.30389	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	350.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57541	2.3
57.06800	6.1
57.07069	100.0
61.93208	2.6
67.60069	2.7
67.64415	2.4
71.08243	5.5
71.08623	71.3
73.46329	3.2
83.06863	2.8
85.10175	40.6
89.06023	50.0
91.71071	5.2
99.11734	5.2
106.21760	3.0
130.08647	7.9
130.20277	2.8
133.08621	14.3
141.87811	3.8
151.09665	58.2
154.90871	3.9
157.58795	3.4
164.04822	3.1
246.00337	3.3
275.94647	3.0
333.29907	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	351.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08049	11.6
55.16977	12.8
55.88359	14.8
57.97271	13.8
66.14373	12.6
67.26776	11.6
84.62698	13.9
91.80030	14.0
119.01958	21.0
127.16638	15.0
157.03444	16.2
246.92566	34.4
258.08322	26.8
262.89777	16.9
316.94409	19.4
330.10223	21.1
351.06973	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	3.4
76.49490	3.0
85.02892	6.5
97.02942	2.9
138.71915	3.0
161.41481	3.2
185.04213	11.2
189.01590	32.3
262.12622	3.1
301.11273	3.2
351.06857	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0862
Annotation	Tetracenomycin B1
Peak:m/z	Relative Intensity
50.50035	0.9
52.05151	0.8
55.01845	1.2
65.03939	8.5
68.71491	1.0
70.58803	1.0
72.39574	1.0
79.05484	4.9
95.01300	1.3
95.04940	1.8
109.02863	2.0
115.05462	7.3
115.06223	1.4
121.02877	4.2
125.73660	1.0
129.57396	0.9
135.04414	100.0
139.03917	3.3
143.04893	8.3
149.02338	93.2
149.03372	4.7
153.57283	1.2
171.04419	8.9
173.05992	3.5
201.05473	10.0
217.06648	1.4
235.07491	2.3
237.09140	2.1
247.07544	2.7
251.07146	2.0
265.08661	1.2
275.07074	2.6
281.08121	1.3
323.09100	36.6
351.08606	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	351.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68427	4.1
60.04521	4.1
70.80609	4.5
85.02844	4.2
89.22452	4.1
177.05434	8.5
233.29434	5.2
270.56485	5.0
351.10471	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.105
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07056	6.9
77.32997	5.9
89.31493	5.2
93.07050	6.8
95.08662	6.5
103.87861	5.6
105.07003	6.0
107.08621	10.8
138.47197	7.0
148.92722	5.8
153.12776	9.6
203.05252	42.4
246.40518	7.8
351.10571	100.0
351.14334	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	351.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72454	1.1
54.94515	1.2
56.09745	1.0
67.29642	1.0
71.73900	1.0
75.28492	1.0
77.03918	1.8
79.05488	4.3
81.92822	1.1
95.04959	4.4
102.04720	5.4
103.05494	5.6
105.03381	2.9
115.05449	2.5
130.04128	7.8
131.04956	3.1
135.04413	100.0
141.06989	3.1
145.06485	2.4
157.48358	1.3
159.04410	8.9
160.05167	17.7
169.06467	16.0
178.07866	1.1
189.05504	1.2
189.06924	5.5
190.07716	11.4
202.07777	2.5
203.08496	7.2
204.09276	2.7
205.06462	1.4
205.10153	7.6
215.08554	17.0
218.07289	9.2
219.08141	1.5
231.08000	2.7
232.08853	3.7
233.09579	23.7
243.08020	2.5
244.08936	1.4
260.08234	2.1
261.09076	30.8
263.10648	3.3
291.10123	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91985	2.1
55.05508	2.3
55.17622	2.2
57.07061	2.9
60.81039	2.0
89.43816	2.5
96.34258	2.5
98.97564	3.0
99.27997	2.3
100.11248	5.7
112.15479	2.5
125.49516	2.4
134.72066	2.8
151.28316	3.1
162.12566	2.7
172.28629	2.8
185.04185	14.6
351.14117	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.61914	1.2
68.24944	1.4
81.07059	1.3
85.02861	2.1
90.10444	1.4
106.99386	1.5
108.15329	1.5
216.57007	1.6
351.14105	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46115	5.0
57.07058	6.2
64.81018	5.6
69.91058	5.2
85.06523	7.1
91.05493	7.5
95.08630	5.9
109.06468	7.6
115.05455	6.4
121.06524	10.4
129.07028	7.4
130.45403	5.9
132.98485	5.5
133.06482	6.4
135.08049	33.6
139.56303	5.2
148.89195	6.7
155.08545	22.9
165.06978	10.0
169.06444	10.9
172.08806	7.2
182.07246	12.1
183.08026	20.6
185.05965	9.7
189.09093	16.8
195.08022	12.0
201.09125	25.3
210.06778	25.1
211.07550	19.1
215.06998	22.7
217.08566	11.4
225.09088	100.0
227.07005	50.4
228.07858	8.6
242.09375	62.2
243.10165	90.2
277.12311	8.8
281.14807	7.7
301.12265	11.7
304.10907	5.9
333.14890	28.8
344.67392	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23782	1.8
56.05023	7.3
58.06573	5.5
58.29142	1.7
60.04523	2.0
60.05639	16.0
61.58923	1.7
65.94484	1.6
70.06241	3.4
70.06586	43.6
74.06052	4.3
86.03539	16.7
117.05685	2.9
129.10228	40.1
132.08067	14.9
150.05534	8.3
155.08128	10.4
176.07013	16.2
190.81259	2.2
217.09792	2.8
248.13908	100.0
249.12270	12.2
266.14978	36.6
270.36859	2.7
335.55844	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	351.2012
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
54.10854	3.3
55.05505	6.4
55.07769	3.1
57.07089	4.0
59.04998	4.7
67.05502	26.3
69.03421	7.2
69.07060	38.5
75.63676	3.5
79.05510	17.4
81.07065	18.0
82.30112	3.6
83.08649	5.5
85.02892	20.0
91.05495	8.5
93.07039	45.5
95.05083	4.3
95.08598	40.0
95.09068	3.8
97.06573	5.6
104.67073	4.1
105.07100	4.4
107.08588	49.4
109.10152	100.0
121.20899	4.7
126.42422	3.8
127.03884	3.9
135.11682	75.5
136.74208	4.5
150.18153	4.4
152.79028	3.9
153.12794	18.1
171.13768	9.0
192.30318	4.8
196.46153	5.0
302.38864	4.9
303.38608	4.2
306.22870	4.5
353.88458	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	351.214
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
51.75459	5.7
78.66755	7.1
87.91315	8.2
227.03410	11.1
228.03780	8.3
252.13071	9.3
281.47662	8.8
333.20377	48.6
351.21335	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23401	3.5
54.92209	3.6
55.05495	14.2
58.66410	3.7
60.16163	3.1
61.85793	3.2
64.95972	3.7
67.05499	32.0
69.07056	10.0
76.88114	3.3
79.05487	29.7
81.07059	23.2
91.05470	35.0
93.07047	48.7
95.08612	22.6
105.07027	35.5
107.08582	28.8
109.10122	7.0
117.07031	9.3
117.87304	4.2
119.08570	32.2
119.09317	5.0
121.10115	23.6
129.07021	5.2
131.08572	8.6
133.10117	26.6
135.11700	20.4
138.16138	3.6
143.08604	5.7
145.10179	5.0
147.11714	24.2
149.13258	7.0
159.11671	11.3
161.13242	16.4
170.37270	4.5
175.14735	5.2
185.13231	7.1
192.78725	4.8
217.27838	4.1
231.21231	6.8
241.19553	10.8
259.20535	34.8
260.47668	4.4
291.19318	8.5
324.32065	4.4
351.21417	100.0
351.25412	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31369	4.3
53.03955	4.8
55.05496	16.7
57.03417	11.4
57.07066	6.7
65.28669	4.9
67.05496	69.2
69.07050	18.5
79.05484	76.7
81.07050	70.0
83.08613	11.2
85.06551	6.3
91.05481	67.3
91.71020	6.1
92.32062	4.9
93.07039	100.0
95.04965	11.6
95.08612	52.9
97.10265	5.4
105.07017	57.6
107.08587	59.7
109.10134	16.2
109.92441	5.7
117.07027	13.2
119.08562	56.9
120.57459	6.0
121.10130	45.0
129.07002	7.9
131.08597	18.1
133.10124	48.9
135.11716	47.5
143.08627	11.9
145.10117	19.4
147.11691	41.5
149.13248	24.6
157.10146	9.0
159.11652	12.7
161.13235	41.3
163.11125	6.8
163.14822	10.0
171.11789	13.7
173.13393	7.5
175.14830	18.2
231.21104	7.4
241.19548	23.5
259.20612	86.4
346.77762	7.6
351.25269	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50859	3.9
55.05495	15.9
57.03423	5.5
64.74037	4.6
67.05497	50.8
69.07057	24.6
72.36462	5.9
74.32316	4.9
79.05488	61.5
81.07048	65.6
83.08611	11.4
91.05469	81.9
93.07027	100.0
95.04965	16.3
95.08605	40.1
105.07030	74.8
107.07926	8.0
107.08587	52.3
109.10177	9.8
117.07022	15.7
119.08579	70.8
121.10123	39.5
123.11668	6.4
129.06981	9.4
131.08574	27.7
133.10136	53.8
135.11716	29.3
143.08577	15.5
145.10153	20.6
147.11694	52.5
149.13274	16.7
159.11700	16.5
161.13264	37.7
163.14841	8.2
171.11688	12.7
173.13280	8.0
175.14713	13.2
185.13261	13.4
241.19592	27.1
242.44382	6.8
259.20575	82.7
302.85071	6.4
351.25305	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	13,14-dihydroxy-11-mulinen-20-oic acid
Peak:m/z	Relative Intensity
54.25636	2.2
57.07059	10.6
67.05491	5.2
68.42420	2.8
81.07019	3.4
95.04960	11.3
135.11661	2.8
137.05971	10.5
145.10155	4.2
152.01199	2.5
157.51523	2.6
165.47453	2.5
178.67706	2.9
219.74664	3.4
249.18495	100.0
302.94092	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67095	3.7
55.05497	15.5
57.03428	8.8
57.07053	5.1
58.88582	3.2
63.85732	3.8
67.05493	57.4
69.07053	22.7
79.05488	55.1
81.07050	63.8
82.77063	4.0
83.08594	9.5
85.06525	4.7
90.83858	4.2
91.05469	73.5
93.06477	8.2
93.07042	100.0
95.04954	5.8
95.08601	34.9
96.80759	4.1
97.06531	4.9
97.10149	4.2
97.90944	3.6
105.07027	62.2
107.08582	63.9
109.10152	13.8
111.11690	4.5
116.35081	4.3
117.07005	14.9
117.14091	4.4
118.31857	4.0
119.08569	54.9
121.10145	49.7
128.68839	4.3
129.07005	8.1
131.08571	21.3
133.10104	41.7
135.11696	37.1
139.56441	4.4
143.08517	7.4
145.10104	23.0
147.11673	49.1
149.13242	28.1
154.36069	4.5
157.10204	5.1
159.11708	16.2
161.13260	31.3
163.14743	5.6
171.11688	14.6
173.13213	9.6
175.14874	21.7
176.19102	4.8
185.13235	8.6
199.14955	9.8
217.19502	6.7
228.85240	4.9
241.19461	25.0
247.92896	4.8
259.20523	76.3
268.09232	5.1
277.21564	9.4
333.24149	9.0
351.25266	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.1
55.05512	15.7
57.03422	9.3
57.07061	4.1
67.05497	58.6
69.07050	24.4
71.04970	3.4
79.05486	58.2
81.06593	5.5
81.07049	70.4
83.08607	10.6
89.47341	2.7
91.05470	63.6
91.71111	11.0
92.51114	2.3
93.07038	100.0
95.04967	11.1
95.08610	41.6
95.65715	2.4
99.08074	3.8
105.07022	64.9
106.68924	2.6
107.08595	59.9
109.10139	14.1
111.11755	2.9
117.06999	13.1
119.07794	5.2
119.08579	61.8
120.09133	2.8
121.10152	39.1
123.07980	3.5
123.11735	4.6
129.06990	9.4
131.08554	20.5
133.10129	44.0
135.08145	4.0
135.11694	43.8
137.09679	4.2
142.89709	2.7
143.08595	7.7
145.10123	20.1
147.11676	48.0
149.09666	3.9
149.13257	23.2
157.10149	10.4
159.11676	19.8
161.13231	27.0
163.14803	8.8
171.11711	11.6
173.13264	11.2
175.14786	17.1
177.12801	3.6
185.13213	13.4
199.14859	4.2
213.16356	3.6
215.17902	3.0
231.21114	7.1
241.19519	25.3
259.20538	64.5
277.21646	12.4
333.24243	6.2
351.21179	4.3
351.25323	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17922	12.1
55.05490	47.3
57.03420	20.4
57.07052	22.6
61.02919	16.3
67.05493	100.0
69.07045	50.9
71.08615	82.1
71.48025	15.1
79.05477	42.1
81.07033	84.9
83.08601	22.6
85.02908	21.2
85.06536	17.8
91.05481	34.4
93.07040	73.4
95.04953	14.5
95.08600	62.9
97.02879	30.6
99.08088	33.0
105.00695	15.7
105.07028	18.5
107.04917	22.3
107.08574	36.8
108.27144	16.1
109.10143	34.3
119.08555	17.5
119.83000	19.9
123.17784	13.7
133.10046	24.4
135.11697	24.8
156.05070	26.5
179.14288	89.2
271.33029	19.2
277.21487	26.6
304.00391	16.4
344.24283	25.7
351.25378	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83271	4.1
53.00299	4.3
55.05495	21.0
57.03424	16.0
60.92889	3.5
67.05495	58.5
69.07050	18.1
69.88551	4.4
71.08623	60.8
75.87679	4.2
79.05480	37.7
81.03377	7.9
81.07042	51.6
83.04958	11.4
83.08633	11.6
91.05457	32.9
93.07032	56.9
95.04957	13.5
95.08595	42.6
97.10161	6.1
99.08102	34.9
105.07033	26.7
105.77197	5.0
107.04945	7.7
107.08587	37.5
109.10146	13.0
111.08059	6.6
113.09554	4.9
119.08545	17.3
119.50557	4.5
121.10114	24.0
133.10152	14.1
135.11653	33.4
147.11681	7.3
148.08369	10.4
149.13243	14.0
151.11182	21.6
161.13257	12.7
163.11172	10.9
172.39162	5.7
179.14302	100.0
179.15840	8.3
181.91644	5.3
184.02858	4.7
211.81224	5.4
259.20789	5.1
277.21585	36.7
335.38419	6.7
351.25290	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14749	11.3
55.05490	13.5
57.03434	13.6
67.05482	49.1
67.44196	12.3
69.07043	23.6
74.13134	12.0
76.84483	18.3
79.05482	45.7
81.07051	77.3
83.08617	18.2
85.61468	13.5
91.05470	41.3
93.07033	100.0
95.08614	23.2
102.32607	17.6
105.07026	62.5
107.08582	58.7
119.08570	49.2
121.10135	61.1
133.10141	31.2
135.11617	43.4
145.10181	15.6
147.11688	34.6
161.13248	19.8
171.11749	19.0
184.56459	15.2
199.14987	18.9
241.19611	22.7
259.20541	75.6
311.38876	19.1
351.25174	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47517	1.2
53.03942	1.9
55.05510	10.1
57.03435	2.5
57.07070	2.0
65.49545	1.3
67.05497	30.0
67.05829	2.3
69.07066	10.3
74.12383	1.6
75.04483	2.2
79.05032	1.8
79.05490	37.3
79.05927	2.8
81.07049	27.9
83.08629	4.7
91.05470	39.4
91.71007	1.7
93.07038	52.3
95.04992	6.8
95.08607	20.0
99.08166	1.9
103.05494	2.0
105.07027	41.0
105.07680	2.4
107.08584	27.2
109.06537	1.6
109.10143	7.3
109.80392	1.3
115.26417	1.5
117.07026	11.4
119.08582	34.6
121.10147	19.4
123.11747	2.2
128.06290	1.7
129.07043	4.8
131.08557	12.9
133.10133	32.2
133.11095	1.8
135.08101	1.6
135.11682	20.9
143.08598	5.0
145.10112	9.4
147.11676	28.4
149.09671	1.7
149.13251	8.0
157.10181	5.8
159.11679	9.7
161.13258	16.6
163.14885	4.4
171.11728	7.1
173.13333	5.6
175.14882	6.8
185.13361	6.0
187.14792	1.8
199.14867	3.0
213.16576	2.5
231.17516	1.8
231.21095	2.3
241.19469	15.4
248.70802	1.6
259.20563	46.6
277.21667	1.9
291.19235	12.2
351.21503	100.0
351.25464	25.0
352.21878	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25380	2.8
55.01851	3.2
55.05508	29.0
57.07074	8.9
67.05495	87.5
69.07057	36.6
71.04993	9.3
71.08640	3.5
71.34294	2.9
75.53808	3.6
79.05484	24.1
81.07048	100.0
83.08610	21.8
85.06528	10.2
85.26283	3.9
85.27443	3.3
90.51581	3.4
91.05486	14.1
93.07034	42.8
95.08598	76.8
95.09165	7.4
95.19202	3.2
97.06529	6.7
97.10172	11.9
105.07049	10.5
107.08590	23.2
109.10158	32.1
111.11702	3.8
119.08581	8.1
121.10119	33.4
123.11699	15.0
126.79491	4.0
133.10153	12.3
135.11703	23.0
137.13252	6.2
147.11661	5.2
149.13242	9.4
151.14821	6.0
161.13281	5.6
163.14861	5.4
164.30585	3.6
170.60599	3.9
175.14880	4.3
177.16319	4.2
182.13457	3.7
191.17952	5.3
224.33278	3.9
235.57635	4.4
291.26651	8.5
315.30515	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	22.4
57.07075	12.8
67.05496	91.5
69.05299	3.9
69.07059	29.9
71.04984	8.7
78.67299	4.8
79.05470	27.9
81.07045	100.0
81.07471	7.0
82.91018	4.4
83.08633	20.4
85.06552	12.4
91.05495	12.5
93.07025	35.1
95.08603	83.3
95.09152	6.8
97.06581	5.3
97.10194	19.7
101.15179	4.6
105.07065	14.5
107.08632	21.7
109.10156	34.5
114.97310	5.0
119.08610	10.0
121.10144	34.8
123.11759	14.9
133.10233	7.9
135.11739	18.4
137.13249	6.2
149.13290	11.5
161.13297	9.9
175.14851	5.8
179.62325	5.2
273.26010	7.1
291.26794	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	351.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56834	5.7
51.91602	4.8
55.05502	14.2
57.06835	8.5
57.07069	100.0
67.05496	40.8
69.07063	16.1
71.08628	64.5
81.07047	48.1
83.08611	31.4
83.23242	6.3
85.10168	29.4
91.40290	6.4
95.04942	6.4
95.08601	62.6
97.06532	30.7
97.10177	13.6
103.30244	6.2
106.59232	6.9
109.10165	28.4
111.11783	6.9
122.41672	8.2
123.11674	11.4
237.32329	9.7
239.23798	15.0
251.70020	7.7
309.31415	73.8
312.04495	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	352.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46539	2.7
55.90818	2.6
60.08152	29.3
67.04238	93.8
85.28165	3.5
95.04966	6.5
98.00620	11.5
99.01410	3.4
109.02861	3.8
124.05206	11.8
125.01691	100.0
126.02484	22.1
155.01605	7.5
173.07066	5.3
174.07947	3.6
191.94467	3.1
204.36507	3.4
216.08913	3.7
234.04504	17.6
249.06905	78.5
280.33783	3.4
308.14243	81.1
346.15662	3.9
352.07495	3.9
352.13214	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	352.139
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04507	12.3
69.03419	11.4
71.04972	3.5
79.05477	3.8
81.03396	2.9
85.02901	7.8
103.05463	23.9
106.06548	39.7
107.04948	13.9
109.02816	2.9
109.10168	5.2
115.77799	2.4
121.06506	3.8
127.03915	3.4
131.04918	100.0
148.07547	25.2
155.10715	5.9
190.08669	12.2
205.36177	3.0
208.09845	4.9
293.10306	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	352.139
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04507	12.3
69.03419	11.4
71.04972	3.5
79.05477	3.8
81.03396	2.9
85.02901	7.8
103.05463	23.9
106.06548	39.7
107.04948	13.9
109.02816	2.9
109.10168	5.2
115.77799	2.4
121.06506	3.8
127.03915	3.4
131.04918	100.0
148.07547	25.2
155.10715	5.9
190.08669	12.2
205.36177	3.0
208.09845	4.9
293.10306	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	352.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63702	1.2
53.81331	1.1
55.05513	1.4
56.89533	1.1
56.96553	1.7
58.85190	1.4
60.04506	5.1
68.55985	1.3
70.06581	4.4
72.08147	5.6
83.82314	1.4
84.04501	1.7
86.09692	17.1
87.05577	3.2
90.92802	1.3
91.04951	2.5
91.05452	12.3
93.07019	4.4
116.71922	1.6
117.07043	1.8
118.06504	1.4
119.04923	10.2
120.08095	28.1
123.04374	2.2
132.10194	6.7
136.07571	100.0
138.60837	1.8
139.03894	15.9
140.04208	2.3
144.08090	5.3
162.09183	4.6
181.16165	1.7
193.09712	38.6
207.11264	17.1
221.09209	10.6
235.10701	4.8
311.05106	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	352.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63702	1.2
53.81331	1.1
55.05513	1.4
56.89533	1.1
56.96553	1.7
58.85190	1.4
60.04506	5.1
68.55985	1.3
70.06581	4.4
72.08147	5.6
83.82314	1.4
84.04501	1.7
86.09692	17.1
87.05577	3.2
90.92802	1.3
91.04951	2.5
91.05452	12.3
93.07019	4.4
116.71922	1.6
117.07043	1.8
118.06504	1.4
119.04923	10.2
120.08095	28.1
123.04374	2.2
132.10194	6.7
136.07571	100.0
138.60837	1.8
139.03894	15.9
140.04208	2.3
144.08090	5.3
162.09183	4.6
181.16165	1.7
193.09712	38.6
207.11264	17.1
221.09209	10.6
235.10701	4.8
311.05106	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	352.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.8
61.02921	1.7
67.05501	9.6
69.03420	6.8
70.06570	1.1
71.04968	2.2
73.05177	0.9
81.07034	1.7
85.02898	9.1
91.05489	3.4
93.07040	20.9
95.05014	1.1
95.08598	100.0
97.02877	2.0
109.02795	1.1
109.10144	11.1
119.08581	15.9
127.03944	1.2
137.09612	30.5
144.92871	1.2
155.10675	22.5
173.11661	4.4
183.74649	1.0
206.72371	1.0
210.53038	1.1
280.13876	1.2
287.44366	1.0
334.07675	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	6.0
56.96556	5.6
59.57896	2.2
62.27768	2.3
64.88991	2.3
67.05486	4.4
68.05027	3.3
68.12777	2.6
69.03412	7.0
69.05813	6.8
69.07049	4.8
70.06583	57.6
71.04972	3.0
81.07007	2.7
83.04985	2.7
83.07357	11.8
83.08618	10.0
84.08157	3.8
85.02893	6.1
88.15015	2.6
91.05466	4.3
91.71011	5.0
93.07040	5.5
95.04996	4.4
95.08563	4.7
104.47382	2.5
105.07034	5.0
107.04937	3.4
107.08589	4.9
109.06674	2.6
118.23692	3.0
132.05640	3.0
133.06468	14.2
134.06842	7.4
139.89772	3.1
140.00224	3.8
163.12903	2.7
170.40721	2.9
175.15712	3.1
198.14830	4.0
203.40605	3.3
217.54237	3.4
226.14371	100.0
334.15622	3.2
352.24817	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42237	5.8
55.01865	33.7
55.05505	38.4
57.07084	11.4
57.46053	6.6
67.05501	79.5
67.05785	7.0
69.07055	60.7
79.05484	17.3
81.07059	98.8
83.04996	21.1
83.08617	51.9
91.71638	12.8
93.07073	20.3
95.08606	100.0
97.06561	8.6
97.10194	20.1
100.70014	6.8
107.08586	10.8
107.17574	7.1
109.10165	50.5
119.08582	10.0
121.10206	18.9
123.11774	19.3
135.11690	9.9
152.99242	7.1
307.29919	10.6
335.29401	87.7
339.94217	9.5
352.32233	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	353.0842
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
54.48004	9.3
69.02802	11.2
77.69955	12.4
79.59242	12.5
88.57869	11.6
106.59834	13.4
144.70775	13.2
146.96461	13.5
160.91150	13.8
175.82590	13.1
180.47485	14.4
215.57031	14.8
353.08353	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1018
Annotation	Erysubin A
Peak:m/z	Relative Intensity
51.93587	2.1
55.01861	11.1
67.78525	2.1
75.41759	2.3
80.37104	2.4
86.48922	2.6
118.55079	2.7
135.04393	35.4
149.02351	9.8
151.03923	5.0
171.01123	2.9
173.05914	3.2
176.06081	3.0
182.31363	2.9
189.06976	4.6
190.07765	4.5
191.08524	5.3
201.05574	6.6
204.05736	4.6
217.12579	3.4
219.08067	7.6
221.06061	9.1
232.05246	3.3
236.08232	3.9
249.05525	4.4
260.04654	9.0
264.07864	13.6
275.07068	7.9
283.09662	3.3
288.04187	14.6
292.07272	11.4
297.10956	3.4
303.06427	23.4
307.09766	9.5
320.06760	11.1
323.09262	4.2
335.09048	100.0
353.09973	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	353.1018
Annotation	Anagyroidisoflavone B
Peak:m/z	Relative Intensity
65.03928	1.5
77.03938	1.3
78.38888	0.8
78.67536	0.8
79.05464	2.5
95.04947	1.6
103.67616	0.8
104.53458	0.8
105.03403	2.1
111.67751	0.9
115.05455	1.0
115.11458	0.9
120.51823	0.9
135.04402	100.0
137.16129	0.9
143.04900	3.8
149.02328	21.7
149.03447	1.2
153.79460	0.9
173.05962	2.6
201.05463	1.3
203.06973	2.0
204.21616	1.0
274.97525	1.0
303.79333	1.0
310.30524	1.1
323.09116	6.2
335.09143	7.0
353.10141	17.9
362.12155	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80514	0.9
52.60122	1.1
55.05506	1.5
56.68111	1.0
57.07077	7.4
64.36607	1.1
71.08640	3.2
72.04502	6.1
78.60860	1.1
85.10196	2.2
91.71569	2.2
95.19653	1.3
96.80047	1.2
102.09196	2.6
116.10786	4.5
134.99615	1.2
135.04410	31.2
149.02432	2.5
261.53650	1.4
312.32565	100.0
323.09067	2.0
353.10349	5.4
372.41644	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	353.1018
Annotation	(E)-Gadain
Peak:m/z	Relative Intensity
55.01854	7.7
56.96553	2.3
57.07038	1.8
63.82832	2.2
67.16621	2.0
79.05463	4.1
80.39220	2.0
82.10252	1.7
82.16464	2.4
86.46787	1.8
91.05448	2.3
93.82550	2.3
95.04909	2.6
103.05465	7.9
104.94372	2.3
111.05750	2.5
115.05450	3.8
131.04897	14.3
135.04404	100.0
137.94154	2.1
143.04955	7.1
145.06438	3.5
147.04445	7.4
149.02301	11.8
155.04907	4.5
159.04428	9.9
161.05923	5.8
173.05995	9.3
183.04500	2.4
185.05954	3.3
191.08618	4.2
201.05432	30.8
205.06541	3.4
219.08025	5.3
222.06752	2.8
223.07632	3.0
247.07588	5.7
249.09097	3.9
250.06218	3.3
257.78781	2.6
273.54825	2.5
277.08435	2.6
280.07257	9.5
293.08075	3.1
305.07968	4.7
307.09558	6.3
322.90787	2.6
323.09177	5.1
335.09061	20.1
353.10037	17.5
353.23013	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	353.1019
Annotation	Picropolygamain
Peak:m/z	Relative Intensity
60.16786	1.3
64.19791	1.4
66.15260	1.4
78.82176	1.8
79.05486	3.7
95.04939	1.9
110.26380	1.7
115.05396	1.8
127.42926	1.6
135.04410	100.0
140.00233	2.9
143.04953	3.2
143.14670	1.9
149.02319	9.4
183.89722	1.8
203.07045	2.5
275.09668	1.9
280.31708	2.0
311.96997	2.6
323.09207	6.4
353.10205	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	353.1018
Annotation	Candidusin A
Peak:m/z	Relative Intensity
56.96579	1.2
69.74648	1.4
75.52432	1.3
79.05498	3.4
81.07073	2.1
94.13161	1.4
95.04967	1.9
107.05007	1.8
115.05508	2.5
135.04407	100.0
143.04997	2.5
149.02321	12.7
155.84143	1.6
171.52959	1.8
203.07030	2.8
205.42009	1.6
232.20561	1.7
323.09290	7.3
353.10144	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	353.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91222	2.5
65.06354	2.7
72.08131	2.5
72.98146	2.5
105.66380	2.7
110.24091	2.7
144.11243	3.6
149.79866	3.1
151.07561	14.4
188.80363	3.0
315.07678	3.1
342.16077	3.2
353.11975	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83218	2.3
66.75690	2.6
84.04208	2.7
88.93710	2.9
92.57220	2.5
102.32983	3.1
163.24590	3.0
203.51857	3.5
267.41476	3.1
353.11993	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26199	3.8
68.38253	5.2
70.06595	10.9
71.82330	4.8
80.78838	4.8
81.08923	6.0
120.08128	5.1
137.05997	9.2
245.29057	5.8
264.04388	6.6
325.17291	7.2
335.15677	6.1
353.11978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
67.34969	1.8
77.70688	1.6
89.79786	1.5
91.71107	1.8
95.46115	1.7
114.53307	1.7
129.05632	1.5
193.11952	2.4
201.03735	2.4
235.98015	1.7
353.15668	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2319
Annotation	Isograyanotoxin II
Peak:m/z	Relative Intensity
55.05494	17.3
59.30315	5.9
67.05492	99.7
69.07058	17.9
71.04984	6.1
74.48996	5.1
79.05502	36.0
81.07044	100.0
83.08591	10.5
91.05466	43.3
93.07037	55.7
95.04974	12.2
95.08591	75.0
97.02889	8.8
97.06490	9.1
101.99889	7.1
105.07003	40.2
107.04971	24.2
107.08602	15.7
109.06528	7.9
109.10153	29.2
117.07024	20.7
119.08597	29.9
121.02818	8.3
121.06495	9.3
121.10110	16.6
129.07066	12.0
129.57507	6.2
131.08571	23.7
133.06512	24.5
133.10098	9.6
135.08073	12.5
135.11668	9.3
142.07819	10.2
143.08514	9.8
145.06548	8.3
145.10117	15.3
147.08061	36.9
147.11786	8.4
149.09592	13.8
151.03923	20.5
151.11311	6.2
155.08627	11.5
157.05023	11.5
157.10126	14.5
159.08029	14.7
161.09642	12.6
168.26253	7.5
169.10118	7.2
171.08128	7.1
171.11703	10.4
173.09724	11.5
173.13176	8.5
185.09758	7.8
187.11232	13.6
199.11031	10.9
199.14890	7.3
203.10672	7.7
205.66278	7.4
208.09613	8.2
209.11841	9.5
221.11716	8.2
235.13239	12.1
263.17953	11.8
281.19098	19.2
299.20007	57.8
317.21078	79.2
335.22363	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
54.02739	2.2
54.46049	2.6
55.05499	13.9
57.07076	3.6
65.03937	4.1
67.05498	98.6
69.07062	10.9
70.88380	2.4
71.08622	6.3
76.77495	3.6
79.05481	50.2
81.07047	100.0
83.04979	3.2
83.08607	8.8
85.06548	4.0
91.05469	32.7
93.07039	77.2
95.04950	7.8
95.08597	82.9
95.09151	6.3
97.06551	5.8
97.10225	4.2
99.08038	3.6
105.07025	21.8
107.08587	44.5
109.10137	26.4
117.07043	8.1
119.08588	12.7
121.10142	42.2
123.11719	13.0
131.08572	23.9
133.10149	12.3
135.11685	27.8
137.13255	5.7
139.18071	3.0
145.10097	22.5
147.11728	8.5
149.13251	26.7
151.14857	4.4
159.11713	11.5
161.13292	9.7
163.14815	14.2
173.13210	15.5
176.13387	3.2
177.16383	7.0
178.69571	3.4
187.14851	10.7
233.22618	4.2
243.21011	23.9
261.22119	69.7
261.84839	3.7
342.95322	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	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	12.7
56.34814	3.0
57.03433	5.7
57.07059	6.0
67.05130	4.8
67.05492	100.0
68.43964	3.5
68.90420	2.8
69.07043	16.0
72.50185	3.2
79.05479	35.5
81.07047	93.5
83.08606	7.4
91.05457	27.2
91.71656	8.4
93.07036	65.2
95.04958	6.6
95.08596	64.7
97.10184	5.8
105.07029	16.8
107.08578	43.1
109.10158	35.5
117.07034	11.5
119.08575	11.7
121.10124	34.4
121.83729	4.0
123.11707	15.7
131.08553	21.3
133.10100	8.4
135.04393	8.7
135.11691	33.5
137.13283	4.7
143.75046	4.1
145.10138	11.4
147.11659	9.5
149.13283	10.6
159.11717	14.0
161.13194	9.2
163.14850	7.7
173.13272	14.7
177.65562	4.0
187.14793	5.0
209.74016	3.8
243.21161	19.9
259.64011	4.1
261.22104	63.7
335.25790	5.4
353.26834	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.05494	9.4
57.03423	5.3
57.07076	6.8
59.13390	1.9
59.71615	2.1
67.05492	90.1
69.07063	13.9
71.04992	4.3
71.08623	2.9
79.05476	40.0
81.07045	100.0
83.08597	8.7
85.06532	3.1
88.91745	2.4
91.05479	26.3
91.71564	5.2
93.06497	1.9
93.07031	58.0
95.04954	5.9
95.08594	67.1
97.06529	3.6
97.10138	2.8
105.07019	17.9
106.70834	2.8
107.04989	2.5
107.08585	42.0
109.06523	3.0
109.10149	29.8
111.08037	2.8
117.07018	10.6
119.08582	12.7
119.43001	2.1
121.10131	35.3
123.11703	18.2
131.08556	20.9
133.10129	11.1
135.04396	29.3
135.11676	26.3
137.13283	5.6
145.10095	13.0
147.11693	10.7
149.13220	17.3
158.48677	2.6
159.11705	12.2
161.13251	6.7
163.14803	13.3
165.12788	2.4
167.51816	2.4
173.06155	2.4
173.13269	10.7
177.16409	3.5
187.14813	8.9
223.37903	2.8
233.22630	2.6
243.21014	18.0
261.22104	68.9
309.80490	2.8
335.26004	5.0
353.10245	6.4
353.26834	14.8
356.53995	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03929	1.6
55.05502	9.5
56.71186	1.5
57.03426	5.7
57.07061	5.3
58.87045	1.2
59.31290	1.2
65.03919	2.1
67.05496	98.0
67.70470	1.5
69.07059	11.7
71.04970	3.2
71.08625	1.8
71.94044	1.2
79.05482	34.3
79.05929	2.4
79.52769	1.3
81.07047	100.0
83.04977	1.3
83.08613	9.5
91.05460	19.7
93.07033	46.7
95.04936	3.4
95.08598	74.9
95.96588	1.4
97.06533	3.0
97.10179	2.9
97.88574	1.4
99.08032	2.2
100.07201	1.6
100.24496	1.5
105.07034	15.4
107.08585	34.8
109.06540	1.6
109.10150	32.7
111.08094	1.5
113.09605	2.3
117.07023	6.0
119.08575	12.0
121.10130	27.7
123.11682	17.7
129.67596	1.3
131.08568	13.5
133.10107	13.4
135.04424	2.5
135.11694	23.1
137.13260	5.0
145.10124	10.7
147.11639	10.4
149.13258	18.0
151.14784	1.5
159.11661	11.4
161.13234	7.9
163.14822	10.6
173.13184	9.3
175.14896	2.4
177.16400	4.3
187.14798	5.6
191.14342	1.9
201.16431	2.8
215.18167	1.7
230.42320	1.6
233.22739	2.2
243.21037	17.0
261.22104	54.1
279.23138	3.8
335.25595	7.2
353.26810	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.74400	1.6
54.51549	1.5
54.81535	1.3
55.05502	11.2
57.03437	4.5
57.07078	5.0
59.33875	1.3
65.03925	2.7
67.05492	98.9
69.07058	13.6
71.04990	3.7
79.05480	31.1
80.82967	1.6
81.07043	100.0
83.08625	7.2
88.86652	1.5
91.05472	20.5
93.07027	57.5
95.04982	5.6
95.08593	68.3
97.06548	2.4
97.10191	3.0
99.08098	2.6
105.07020	16.6
107.08577	28.6
109.06448	2.2
109.10151	36.8
109.10861	2.8
113.09600	1.8
117.07047	7.6
119.08570	12.1
121.10138	26.9
123.11694	18.0
131.08580	19.2
133.10112	11.0
135.11685	19.2
135.12483	1.8
137.13319	5.1
145.10115	11.3
147.11693	9.8
149.13235	15.2
159.11710	10.0
161.13307	7.9
163.14764	8.9
165.12830	2.0
173.13237	11.0
175.14888	3.4
177.16403	2.5
187.14896	5.5
196.83197	1.8
201.16438	2.4
233.22757	2.5
243.21072	19.8
259.22708	1.8
261.22089	52.6
279.23297	2.9
305.56870	1.7
334.82394	1.9
335.25876	7.7
353.26871	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05497	12.5
57.03428	4.1
57.07071	2.8
59.33016	2.7
65.70476	2.9
66.23330	2.8
67.05494	95.1
69.07057	15.1
79.05484	24.7
81.07041	100.0
83.08609	6.3
89.49450	2.9
91.05471	24.9
93.07034	45.2
95.04986	4.7
95.08597	60.6
95.09159	4.9
97.06483	3.2
105.07029	13.8
107.08581	32.3
107.96425	3.3
109.10150	30.7
117.07030	7.5
119.08581	8.0
119.45460	3.2
121.10131	29.3
123.11652	18.0
131.08554	12.2
133.10150	5.7
135.04434	11.3
135.11670	20.3
137.13243	5.4
145.10106	12.2
147.11656	7.2
149.13261	13.1
159.11758	8.1
161.13248	5.8
163.14824	8.4
173.13277	6.1
177.16216	3.7
187.14801	8.7
189.65396	4.1
189.84108	3.5
243.21022	12.8
261.22107	54.6
335.25824	6.1
353.26834	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	353.2685
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
57.07047	26.9
67.05485	100.0
68.66722	21.9
69.07045	23.7
71.04975	26.5
75.80670	18.4
76.24496	21.6
79.05486	35.9
81.07051	76.5
84.40935	21.4
95.08590	59.9
105.76338	23.9
107.08650	33.9
121.10226	22.7
124.96732	23.1
131.08565	35.9
135.04422	69.5
135.11710	28.1
243.21156	36.3
261.22177	67.1
263.36554	30.7
273.33444	23.1
371.17606	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.70189	2.8
52.35925	3.3
55.05495	14.0
57.03412	4.9
57.07076	9.8
59.29890	3.8
67.05492	100.0
67.40095	3.8
69.07049	14.7
69.38251	3.9
71.08585	7.1
72.39542	3.9
74.93583	3.9
79.05475	43.5
81.06599	8.1
81.07046	94.7
81.88830	3.8
83.08630	8.5
91.05470	18.9
91.71085	4.7
93.07037	61.2
95.04974	8.1
95.08600	68.8
98.97612	4.4
102.21217	4.9
104.22435	4.1
105.06994	21.8
107.08580	38.0
109.10156	29.1
117.07050	5.6
119.08581	8.7
121.10151	26.0
123.11749	13.5
125.09482	4.4
128.49063	4.3
131.08557	13.8
135.04471	12.9
135.11687	22.2
137.13190	4.4
145.10118	11.1
147.11690	12.1
149.13257	17.5
159.11687	5.6
161.13206	8.6
163.14842	12.6
167.10927	4.5
173.13239	13.6
187.14774	6.7
221.01677	4.6
243.21092	16.5
261.22092	44.4
335.25787	9.2
353.26556	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	353.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00270	1.5
55.05507	27.3
57.07067	13.3
60.10897	1.4
62.69783	1.2
67.05496	84.5
69.07060	45.2
71.04990	3.7
71.08619	6.0
73.83563	1.4
79.05480	12.8
81.07049	100.0
82.20283	1.5
83.08144	3.2
83.08608	36.6
85.06534	10.5
85.10168	4.0
86.39006	1.5
86.95568	1.7
91.05483	2.0
93.07037	19.4
95.04974	2.7
95.08601	89.0
97.10158	25.3
101.32976	1.8
103.90411	1.8
103.91164	1.6
107.08607	8.7
109.10149	41.5
110.23284	1.8
111.11742	8.9
121.10132	17.4
123.11687	19.7
125.13280	3.4
135.11691	13.4
137.13280	6.9
149.13275	4.7
151.14851	3.4
154.79097	1.9
163.14845	2.9
183.11411	2.0
275.27374	7.0
293.28314	12.3
317.31985	5.1
335.32932	2.7
375.58344	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02821	1.3
67.05484	3.2
69.03422	26.9
82.32297	1.7
85.02902	6.6
85.06548	1.9
87.04452	4.5
95.04954	4.4
97.02922	3.7
97.06513	3.6
111.08100	2.4
113.05994	100.0
115.03951	9.5
129.09116	32.1
131.07068	5.2
139.07532	22.9
145.89731	1.8
154.08630	4.3
157.08592	42.1
163.03824	2.1
175.09645	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	354.24
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	97.2
60.04483	55.7
68.59936	54.1
69.07066	67.3
81.07049	78.3
95.13288	56.5
98.97585	65.3
99.38909	48.5
101.59139	50.8
107.98997	59.1
157.65814	55.3
185.03615	56.0
221.58971	60.3
354.23831	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30844	48.9
54.14217	51.8
55.59447	63.9
56.96552	100.0
58.84488	68.3
62.54375	54.9
233.60541	75.7
314.68094	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	355.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78719	22.5
69.74956	20.7
107.86909	28.4
163.03946	100.0
183.57736	28.6
198.27829	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98597	68.4
58.10698	63.4
58.75144	59.2
60.44548	57.3
62.01148	64.5
80.53324	72.9
81.24609	74.2
81.31862	78.3
86.12639	69.6
92.75576	91.2
111.81321	71.0
117.38410	73.6
144.72054	71.8
161.49001	76.5
199.97562	76.1
242.16426	79.2
246.23703	91.0
251.77660	100.0
263.44803	83.9
279.77274	92.3
343.19186	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54642	4.9
71.06309	4.9
73.08339	4.8
76.71046	4.8
85.02895	10.0
85.80127	5.1
91.71532	6.4
93.60533	5.1
107.28373	5.4
107.65363	5.3
108.98003	5.9
143.83679	6.1
158.25281	5.2
189.05476	16.1
203.07039	7.1
205.04961	100.0
206.05658	7.2
217.05052	18.6
231.06494	20.1
235.05977	65.6
235.08070	5.9
245.08142	10.8
259.06113	21.1
265.71286	5.8
271.05884	7.7
283.06024	10.6
289.07092	23.2
301.06982	15.6
316.88474	7.1
319.08163	7.7
337.08948	10.1
355.13751	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	355.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75791	2.2
55.01873	2.6
56.96533	2.7
65.03910	7.5
79.05479	3.3
91.05474	2.6
99.74141	2.4
103.05463	4.5
111.04453	3.7
119.04965	5.3
128.06253	3.2
129.06992	14.9
131.04922	6.9
135.04402	50.2
147.04436	5.4
147.71217	2.4
149.02328	100.0
149.03368	5.1
149.05992	7.5
151.03905	8.1
157.06451	12.1
160.05191	4.1
161.05934	6.5
173.05896	4.8
185.06007	3.4
187.07570	17.0
190.92503	2.7
197.25206	2.7
203.08557	6.3
215.07053	3.7
231.08031	7.9
259.59744	2.8
261.09109	8.7
289.08621	5.0
337.10672	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	355.1175
Annotation	Seitomycin
Peak:m/z	Relative Intensity
50.75594	2.7
55.01643	2.9
55.01863	28.0
55.81154	2.7
58.84685	2.7
60.42947	2.5
65.03916	7.3
65.24561	3.2
79.05489	14.1
79.36567	2.6
89.75980	3.8
91.05468	4.4
91.23226	3.0
95.04964	9.7
103.05469	16.0
105.03391	4.7
111.04459	10.7
115.05421	4.4
123.04420	4.9
131.04855	7.7
135.03374	5.1
135.04404	100.0
135.25034	3.4
136.04770	12.2
137.04976	3.5
137.05960	8.4
149.02409	5.5
149.05905	5.0
151.03920	5.7
152.06303	4.1
154.53883	3.6
155.04939	7.7
159.04384	28.3
160.05215	15.0
161.06033	4.1
163.03888	49.6
165.06975	3.6
177.05450	12.4
178.07803	3.8
179.08429	4.1
183.04419	5.5
188.50984	3.9
189.05481	3.6
189.07013	13.6
190.07770	19.2
191.08572	14.1
199.42892	4.2
201.06920	3.9
202.07710	6.4
203.08554	3.6
203.66280	3.5
205.06516	4.4
207.08151	7.7
215.07008	9.2
217.06610	8.1
218.07285	20.4
219.08029	25.2
229.06470	6.9
230.07309	3.8
231.08008	4.9
234.06709	7.3
235.07553	11.2
236.08315	5.9
246.06746	13.8
247.07483	30.5
249.09212	9.8
253.08702	4.0
257.05869	16.1
259.07535	19.2
261.09103	32.8
263.07059	6.9
264.07727	9.3
265.08533	8.2
274.06326	6.7
275.07031	24.0
276.07901	6.7
277.08527	14.2
279.10196	5.5
287.06992	10.9
288.07828	7.1
289.08612	24.0
291.10126	5.4
292.07275	9.6
293.08176	5.2
304.07263	6.6
304.68689	4.2
305.07959	10.1
307.09558	34.5
319.09625	76.7
320.52142	4.0
325.10687	20.8
337.10635	22.5
355.10855	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1176
Annotation	Viridiol
Peak:m/z	Relative Intensity
53.80062	1.1
55.01867	1.5
61.46626	1.4
65.03946	4.7
67.05509	4.0
67.35323	1.1
70.53631	1.4
72.63120	1.5
78.62119	1.2
82.47833	1.5
94.04212	3.7
95.04983	1.9
107.58324	1.4
108.02115	4.0
109.06533	3.2
115.05498	5.9
115.34547	1.4
122.03674	6.6
132.18025	1.6
137.05975	100.0
141.05441	8.2
143.04982	4.5
151.03912	84.1
151.05028	10.6
171.04391	15.5
175.07639	4.7
178.66119	1.5
203.07047	8.2
221.88699	1.5
239.10724	1.8
249.09184	4.3
267.10162	1.9
277.08557	3.5
291.14786	1.9
293.31259	1.7
295.09515	1.9
327.12241	39.5
355.11935	10.4
355.17380	39.7
378.83151	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	355.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81411	2.3
60.22404	2.1
61.28921	2.4
67.05473	2.4
70.14029	2.2
101.49152	2.6
115.05457	4.3
115.43503	2.8
137.05951	6.0
148.04857	2.9
148.43549	3.5
151.03906	23.8
154.88069	2.7
165.07019	5.5
193.06479	2.8
194.07278	5.7
201.05510	8.8
201.46715	3.0
211.07518	4.2
213.05363	3.9
234.06644	3.2
237.09175	5.6
239.07170	3.6
240.07674	16.0
249.05444	12.9
264.07813	11.3
265.08533	4.1
268.07257	22.9
269.11966	3.8
277.04919	13.4
283.09732	14.5
292.07278	45.4
293.08179	6.4
307.09604	73.2
307.12936	5.9
311.09055	8.9
325.10687	100.0
337.10596	11.0
355.17401	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.117
Annotation	Castillene C
Peak:m/z	Relative Intensity
51.81742	2.0
55.01828	2.5
67.89973	2.0
68.88261	2.3
69.11252	2.2
69.65421	2.0
69.90571	2.0
79.05482	3.8
82.12850	2.3
95.04961	5.0
99.61039	2.0
103.05492	2.9
105.07039	7.2
106.04156	6.0
115.05460	4.3
121.06487	3.6
130.04094	2.9
131.04947	3.2
133.02840	3.5
133.06477	17.3
135.04398	100.0
137.05960	12.0
143.04907	2.9
146.16464	2.4
147.04373	5.4
149.05908	12.2
151.03906	43.7
160.04932	15.9
161.05946	4.2
177.05399	12.4
179.07188	2.7
183.72293	2.2
218.07306	3.3
244.51007	3.2
250.62601	3.0
293.68893	2.9
325.10724	7.3
355.11630	41.2
355.24573	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	355.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40132	5.3
55.24647	6.5
63.02170	5.1
67.05473	9.0
70.06580	9.0
71.64899	5.9
72.08140	6.3
75.33079	6.2
75.64861	5.5
77.67061	7.4
84.08115	11.1
86.09698	6.2
102.92999	6.0
123.02871	8.0
130.06898	6.6
156.62079	6.9
159.22102	7.4
167.04196	6.5
175.07257	13.0
176.33522	6.4
197.38908	8.2
203.05263	82.7
244.07941	11.6
355.13574	100.0
355.17346	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	355.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12041	4.5
60.29239	4.5
63.20288	4.7
67.05483	16.6
69.03414	24.9
70.06583	5.0
74.18929	4.5
75.47832	5.8
81.03422	9.4
81.07076	5.7
85.02876	11.1
91.05463	75.4
93.07043	12.3
95.04967	5.8
95.08597	13.0
97.02889	57.6
97.06518	9.4
109.02886	11.7
109.10155	44.1
117.07053	9.1
119.08573	100.0
121.10134	6.2
127.03873	7.6
137.09630	16.6
147.08041	36.7
165.09093	51.8
192.90479	5.8
193.08627	8.4
211.09657	17.5
227.66891	6.6
355.13385	10.4
355.17249	80.1
355.52179	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	355.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99993	4.9
58.78362	5.0
59.00130	4.9
62.31943	4.9
67.05488	16.7
69.03412	24.0
70.06557	7.1
81.03409	8.1
81.07043	7.7
85.02905	8.7
91.05470	92.7
93.07040	14.4
95.04931	11.0
95.08615	13.5
97.02873	49.1
97.06523	8.3
109.02867	11.6
109.10144	49.4
115.31042	5.5
118.10497	6.6
119.08575	100.0
119.73473	5.7
121.10155	6.0
123.57678	6.3
127.03929	16.0
137.09595	13.2
146.57713	5.7
147.08032	31.3
165.09094	64.5
193.08627	16.8
211.09694	22.3
214.35649	7.0
254.08366	7.9
295.19012	7.0
355.17188	62.8
370.33643	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	355.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.5
56.96558	100.0
67.05480	15.7
69.07035	12.7
81.07043	25.9
81.85736	5.6
83.08611	16.4
84.96041	7.9
93.06999	9.5
95.08593	18.9
97.99200	6.4
98.97603	10.7
100.42548	6.0
109.10145	9.4
112.99187	6.8
121.10169	7.5
132.07587	5.5
140.00243	14.6
140.98576	9.2
145.02109	7.6
154.01781	7.2
155.00250	8.4
158.99664	24.9
162.00288	5.8
173.01193	17.6
177.00739	18.9
178.01784	7.4
180.03404	7.9
182.01253	55.1
191.02281	8.2
196.02847	26.0
198.15311	6.4
200.02362	26.1
214.03905	7.6
218.49501	7.7
219.04428	7.4
223.03894	32.8
224.02269	8.3
237.05548	12.4
265.55286	7.9
278.87457	6.4
295.12259	6.4
336.14798	13.7
354.15671	9.3
355.14438	14.8
355.28656	7.6
373.15622	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	355.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	100.0
56.96819	8.3
61.13449	7.6
66.70088	7.1
67.05498	9.1
75.80921	6.9
79.05498	8.1
81.07065	15.0
95.08631	11.3
97.99183	9.6
107.04994	9.8
147.03362	12.4
153.46956	7.9
170.04945	9.9
173.01279	8.6
187.25217	8.1
196.02882	30.0
201.03110	7.7
214.03798	13.7
237.05443	10.9
318.13730	13.4
336.14908	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43119	0.9
60.63616	0.9
67.80013	1.0
70.13985	1.0
91.71030	2.5
120.13657	1.2
154.64107	1.3
194.74919	1.4
287.66037	1.3
346.76535	1.5
355.17230	100.0
378.49371	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	355.1724
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
51.71221	0.5
53.28410	0.5
59.55365	0.6
60.48117	0.5
92.50507	0.7
101.19592	0.7
115.92265	0.7
188.55540	0.7
355.17230	100.0
356.17773	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	355.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30687	0.8
64.61597	0.7
76.50266	0.8
78.71176	0.8
89.99011	0.8
148.21910	0.9
173.03610	1.0
192.16022	0.8
213.83214	1.0
298.07355	0.9
355.17227	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1727
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
69.47405	2.1
85.31213	2.4
203.05244	5.5
355.17249	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49216	1.7
64.52006	1.7
66.35570	1.4
108.45661	1.7
164.91672	1.7
186.42854	2.1
355.17224	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39227	1.6
55.37705	1.6
87.74397	1.8
87.84700	1.8
91.71055	3.2
110.97482	2.2
119.42725	1.9
128.62532	2.4
189.06197	2.2
211.79477	2.1
302.88000	2.4
355.17215	100.0
363.29230	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	355.1725
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
58.48216	2.1
70.79396	2.2
108.31407	2.7
120.00801	2.6
143.50772	2.5
262.44547	2.7
297.13080	3.9
302.03699	2.7
344.77655	3.0
355.17249	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1725
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
54.64140	1.6
59.97437	1.5
60.71009	1.7
65.29575	1.7
65.98937	1.8
76.76108	1.7
114.80503	2.1
122.45753	1.8
149.10773	2.1
199.34235	2.1
201.03699	4.8
223.32593	2.2
246.25290	2.1
305.69449	2.5
355.17236	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	16.9
57.07057	6.2
58.21785	3.4
64.23103	3.2
67.05498	100.0
69.06721	3.9
69.07053	21.7
79.05469	15.2
81.06598	6.5
81.07050	100.0
83.08601	10.3
91.05473	14.1
93.07040	17.3
95.08599	85.2
97.10168	6.4
98.84219	3.4
100.07293	4.2
105.07024	7.0
107.04963	15.4
107.08588	8.7
109.10152	47.7
117.26315	3.6
119.08674	5.2
121.06516	17.1
121.10149	7.0
123.11703	15.7
131.04877	6.6
132.36462	3.8
133.06511	28.6
133.10138	5.6
135.04468	4.3
135.11711	8.2
137.13301	5.4
145.06487	18.4
147.08025	28.3
147.11795	4.4
149.13248	4.7
159.08061	10.3
161.06021	5.8
161.09592	5.9
171.08080	4.3
173.09595	5.9
245.22690	11.3
247.12929	4.0
250.45074	3.8
263.23672	15.6
304.68271	4.4
337.25363	15.9
355.26205	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2628
Annotation	Erythrophloin D
Peak:m/z	Relative Intensity
53.03916	4.5
55.01868	6.0
55.05497	18.2
57.07063	6.9
63.15396	4.8
65.03920	5.4
67.05497	96.6
69.07047	13.0
70.79107	4.7
75.21468	4.4
79.05478	10.2
81.06603	6.8
81.07050	100.0
83.08585	5.4
85.65141	4.6
90.53509	5.4
91.05473	11.3
93.07038	14.2
95.08603	73.9
97.10158	7.3
105.07011	11.1
107.04962	12.9
107.08569	13.7
109.10145	38.9
111.08109	4.5
117.07070	7.6
121.06524	15.5
123.11749	10.1
130.48494	4.4
133.06503	27.1
137.13261	7.3
145.06534	25.6
147.08020	39.5
151.14841	5.4
153.98105	4.8
154.15556	5.2
157.06555	6.6
159.08116	12.4
160.11211	4.7
161.05986	8.6
161.09628	7.5
167.07306	4.9
173.05908	7.6
173.09575	7.9
177.16376	8.3
244.54814	5.6
253.71140	5.6
337.25189	17.1
351.64011	6.0
355.26263	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	355.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	19.8
58.43400	13.5
65.90560	13.4
67.05497	100.0
68.96881	11.9
79.05487	14.4
81.07047	85.7
93.07085	18.6
95.08619	80.8
101.99585	14.5
106.11027	15.4
109.10180	44.0
112.07954	13.6
116.96285	17.2
123.11758	18.0
133.06505	26.9
145.06560	35.4
147.08105	44.5
159.08127	16.7
175.66891	16.1
314.30765	18.2
355.26230	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	355.2831
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
55.05497	30.9
57.03427	8.8
57.07061	29.1
67.05491	70.4
69.07047	33.7
71.08621	12.8
79.05473	18.0
81.07046	69.8
83.08599	26.9
85.16052	6.7
91.05468	27.8
91.64628	6.3
93.07026	23.3
95.04968	10.9
95.08595	52.3
97.10172	10.3
98.97553	11.5
105.07013	16.5
107.08604	19.4
109.10165	29.6
116.98672	7.2
119.08581	28.4
121.10154	18.5
123.11703	11.0
129.05461	13.5
133.10132	27.6
135.11740	13.8
147.11684	12.2
149.13330	8.7
160.80435	7.4
161.13187	10.6
181.02853	10.9
245.22659	41.1
263.23593	41.2
313.96262	12.5
355.28128	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	16.8
57.03419	3.8
57.07055	9.4
57.17351	2.4
58.04821	2.8
59.92641	2.5
67.05493	78.1
69.07056	25.3
71.08601	3.2
73.69023	2.3
79.05497	17.8
79.98762	2.7
81.07046	100.0
83.08624	17.1
83.26215	3.2
91.05470	11.4
93.06559	2.8
93.07030	19.2
95.04954	3.5
95.08598	79.8
97.06508	4.2
97.10159	7.7
105.07034	8.8
107.04949	9.2
107.08600	11.0
109.10146	31.0
111.08009	3.7
111.11709	3.8
119.08586	13.9
121.06473	6.8
121.10139	13.7
123.11708	19.7
132.38322	3.0
133.06485	20.3
133.10115	9.8
135.04466	4.3
135.11685	11.5
137.13232	3.4
145.06491	20.4
147.08017	16.0
147.11653	3.5
149.13286	4.1
151.08273	3.5
151.14873	4.0
157.06490	5.2
159.08092	11.9
161.13254	6.9
163.14803	4.6
173.09622	3.5
188.44205	3.3
242.73015	3.2
245.22621	15.9
263.23804	11.8
337.27170	12.4
355.26181	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	355.2841
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
50.80644	2.3
55.05493	20.7
57.03419	5.2
57.07061	14.7
59.07129	3.1
64.12831	2.8
67.05493	90.9
69.07059	37.0
70.25282	2.8
71.08608	7.9
79.05476	20.6
81.07044	100.0
83.08604	22.6
85.06551	4.8
91.05461	20.8
91.44818	3.0
93.07031	29.6
95.08591	90.1
97.06499	7.8
97.10133	18.6
98.97571	10.4
99.91827	3.4
105.07034	8.6
107.08597	15.9
109.10143	37.2
115.49837	3.2
116.98619	6.0
119.08567	16.5
121.10133	21.6
123.11689	18.7
133.10144	13.0
135.11705	13.6
137.05980	5.3
137.13292	9.3
140.00121	4.5
147.11688	8.8
149.13275	13.8
151.14827	6.3
161.13254	10.4
163.14809	8.5
165.16325	7.2
175.14842	9.5
245.22597	35.7
263.23642	32.2
313.96384	7.4
337.27298	22.2
354.06387	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	355.2842
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
51.62237	3.2
53.28662	3.0
55.05506	26.8
57.03416	8.7
57.07065	8.8
57.11734	3.1
67.05495	99.5
69.07061	42.0
71.08620	8.4
79.05470	19.0
81.06595	7.8
81.07046	100.0
83.08624	26.7
83.52606	3.8
85.06550	4.3
91.05470	19.4
93.07046	26.9
95.04942	3.2
95.08601	92.0
95.64999	3.2
97.06542	5.2
97.10164	14.1
99.08099	5.6
100.00091	3.8
105.07025	13.0
107.08592	21.4
109.10139	40.3
111.08047	7.3
117.07068	4.0
119.08581	13.7
121.10138	16.8
123.11703	17.5
133.10117	13.6
135.11674	11.9
137.13269	5.8
143.10661	4.1
147.11681	8.2
149.13293	10.5
153.12779	4.4
161.13257	14.9
163.14804	7.6
175.14832	6.2
181.44916	4.3
189.16400	4.7
242.31752	4.4
244.59305	4.3
245.22664	27.4
251.24414	4.4
263.23679	29.3
329.46796	4.3
337.27243	24.3
355.28424	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	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65949	3.7
55.05511	26.4
56.96553	10.4
57.03418	6.2
57.07056	12.7
58.04068	4.6
60.25497	4.7
65.03094	4.7
65.49712	4.3
67.05492	92.2
68.94830	4.8
69.07063	28.6
75.57932	4.4
79.05487	15.3
81.07046	100.0
83.08598	16.2
83.92106	4.4
85.10142	5.4
91.05476	24.3
93.07021	26.0
95.08598	79.8
95.09625	4.5
97.06532	8.0
97.10182	15.7
98.97577	21.4
99.08046	4.7
105.07037	14.2
107.08607	17.0
109.10149	32.8
109.66432	6.3
116.98649	24.4
119.08572	14.1
121.10141	24.9
123.11713	21.0
133.10120	12.9
134.99646	5.7
135.11670	10.2
137.05954	6.7
140.00189	22.9
147.11653	6.3
149.13249	8.2
158.01225	20.3
161.13290	10.6
163.14833	7.2
165.16415	7.8
175.14786	7.9
181.02870	18.7
208.36388	4.8
245.22501	29.0
263.23575	31.2
290.94687	7.4
296.68222	6.0
313.96246	25.5
313.99777	5.0
337.27310	18.9
354.99173	12.8
356.35095	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	356.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66175	1.1
57.15064	1.2
65.31141	1.1
69.40289	1.4
71.08566	1.1
72.08146	3.0
80.35535	1.2
85.02962	1.4
86.09698	1.3
106.55965	1.3
110.76826	1.4
111.96362	1.3
138.28024	1.3
164.07120	8.9
179.09393	100.0
194.11749	96.9
203.06958	1.7
211.10391	1.4
249.99625	1.4
255.10533	1.5
356.16980	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	357.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	47.3
57.42611	21.1
58.74332	18.3
69.03433	27.9
70.06586	40.0
71.12560	21.9
74.43317	24.4
75.67902	23.6
81.03400	23.1
84.08115	33.9
85.02873	60.3
113.08685	27.2
127.03936	43.3
142.08658	28.5
177.00952	54.1
200.02583	45.6
203.04726	27.4
219.02042	63.6
222.06548	31.4
223.04193	61.0
240.05725	73.3
242.03706	41.9
245.03571	100.0
268.05292	44.8
271.01456	31.0
291.06885	39.7
294.03000	45.9
317.04593	35.6
338.02097	73.2
356.03131	51.4
379.04568	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1329
Annotation	Afzeliixanthone B
Peak:m/z	Relative Intensity
50.23012	3.3
52.53813	3.4
55.01866	4.6
55.19332	3.5
60.17698	3.4
70.47128	3.5
93.73320	4.9
95.13138	4.2
105.06952	5.3
122.40708	4.3
126.31134	4.3
137.05981	8.9
141.05472	5.1
151.03896	43.0
151.04977	7.8
161.72945	4.9
193.06415	5.3
201.67633	5.0
215.07014	12.4
216.19543	4.9
219.08041	6.7
237.09096	5.5
240.07843	29.8
247.07494	5.0
251.07033	10.3
251.10547	10.0
263.06949	11.1
268.07291	53.4
270.08551	6.0
279.06534	7.1
279.10168	11.5
283.09647	64.1
283.13260	17.5
296.10440	6.7
298.08255	7.8
306.08817	13.3
307.09625	8.1
311.09109	55.7
311.12506	10.0
321.11145	17.3
339.12259	100.0
357.13229	32.4
370.34171	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	357.1331
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
51.32996	0.8
55.01857	3.5
63.25224	1.0
65.03922	1.0
79.05474	2.6
91.04993	1.0
91.05457	5.6
95.04955	2.1
103.05439	1.5
105.03380	1.9
105.07021	1.7
110.18685	1.0
118.04174	1.1
119.04974	5.3
119.92905	1.0
133.06458	1.5
135.04408	100.0
135.71461	1.0
137.05977	3.2
140.00261	1.1
142.09758	1.1
146.03600	1.8
147.04402	9.8
149.14825	1.1
151.03900	3.6
151.29790	1.2
161.05968	6.6
179.07034	25.8
240.07828	2.3
251.10370	1.7
263.07034	1.8
268.07263	4.0
279.10083	1.7
283.09579	4.3
283.13062	1.1
283.66647	1.3
284.09888	1.3
311.09146	5.2
311.12726	1.2
339.12222	7.1
357.13309	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	357.1331
Annotation	(+)-EI 1507-2
Peak:m/z	Relative Intensity
55.01884	31.4
57.45662	11.1
64.66673	12.4
67.65890	11.2
78.68933	12.2
111.04472	17.3
115.05477	15.5
122.03639	18.6
137.05991	100.0
161.06029	29.6
165.05545	56.4
166.71068	14.8
177.05455	19.7
184.11830	16.0
218.07365	30.4
219.08153	36.4
235.07574	14.2
236.08067	15.0
246.06757	32.0
247.07539	20.5
247.61281	14.8
258.90823	14.9
261.09103	24.0
264.07907	25.0
275.06894	22.9
277.08655	24.5
279.10138	19.8
283.86810	17.2
289.08527	34.8
307.09579	74.4
321.11349	59.6
327.12363	30.0
339.12231	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	357.133
Annotation	Coniferyl ferulate
Peak:m/z	Relative Intensity
51.22324	1.7
55.01869	1.9
57.57473	1.8
61.98397	1.9
65.03932	2.6
67.32530	1.9
67.36473	1.8
77.31268	1.9
77.83360	1.8
78.04702	3.6
79.05472	9.0
80.36941	2.0
89.03899	4.7
90.04682	2.9
91.05470	18.7
95.04950	6.7
103.05462	20.1
105.03365	11.5
105.06322	3.4
105.07014	38.8
106.04165	52.1
107.04994	5.2
115.05440	13.0
117.03386	4.3
118.04140	13.0
119.04913	8.6
121.06507	24.8
122.03603	2.3
125.05966	2.4
128.06233	2.1
130.04129	7.3
131.04915	18.2
133.02832	23.2
133.06483	85.5
134.03610	3.5
135.04430	7.7
137.05972	25.4
143.06017	3.5
147.03333	4.0
147.04401	25.5
149.05965	100.0
150.06725	7.4
153.05339	2.3
159.08072	6.6
161.05960	56.6
162.06731	14.3
163.07509	10.0
165.05460	5.7
175.07506	5.0
177.05450	92.4
179.07062	4.4
187.07559	6.5
200.09874	2.4
215.07013	13.2
234.45087	2.0
287.43073	2.9
299.77521	2.6
307.09531	6.8
339.12314	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04860	2.0
54.08249	1.9
54.21447	2.0
55.01856	6.7
64.73979	2.2
69.06252	2.4
92.56027	2.2
94.04170	2.4
122.03645	6.9
137.05966	100.0
149.05966	3.9
157.77136	2.9
165.05609	4.2
177.05423	4.0
177.07323	2.2
178.66814	2.3
191.06996	5.2
191.08493	3.2
219.08069	6.0
240.07976	3.5
241.08580	3.0
247.07529	2.6
251.10683	5.4
255.06305	3.5
264.07932	3.5
265.08582	3.2
279.10226	6.4
283.09766	3.2
284.10455	3.8
311.12775	10.2
339.12271	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1332
Annotation	Horsfieldin
Peak:m/z	Relative Intensity
50.50950	0.6
53.21374	0.6
56.42154	0.6
60.02991	0.6
67.05473	0.8
80.58259	0.6
88.24293	0.6
94.04174	3.3
104.75533	0.7
105.76389	0.6
113.36132	0.6
115.05484	1.7
117.07063	0.9
122.03638	7.7
125.48724	0.8
137.05975	100.0
143.04906	7.6
149.06018	0.7
151.03900	13.2
151.05055	1.4
152.21461	0.7
175.07623	0.9
203.07138	1.2
205.08600	2.5
231.64058	0.7
241.56209	0.7
327.12250	8.2
357.13284	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	357.1331
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
52.04860	2.0
54.08249	1.9
54.21447	2.0
55.01856	6.7
64.73979	2.2
69.06252	2.4
92.56027	2.2
94.04170	2.4
122.03645	6.9
137.05966	100.0
149.05966	3.9
157.77136	2.9
165.05609	4.2
177.05423	4.0
177.07323	2.2
178.66814	2.3
191.06996	5.2
191.08493	3.2
219.08069	6.0
240.07976	3.5
241.08580	3.0
247.07529	2.6
251.10683	5.4
255.06305	3.5
264.07932	3.5
265.08582	3.2
279.10226	6.4
283.09766	3.2
284.10455	3.8
311.12775	10.2
339.12271	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.133
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
50.68992	1.5
55.01847	4.0
55.49598	1.4
61.46602	1.4
65.05674	1.5
90.30447	1.4
94.04175	3.5
99.04441	3.2
122.03632	7.4
129.06992	2.1
131.04921	2.1
137.05972	100.0
149.05968	4.1
151.03867	1.7
161.06061	1.7
165.05443	3.0
175.07547	2.9
177.05420	3.0
187.07495	4.7
191.06979	2.8
191.08586	3.9
217.06541	1.9
219.08049	8.7
223.34496	1.8
236.08417	2.0
237.09221	3.2
241.08591	2.5
247.07507	6.0
249.09096	2.9
251.10541	2.5
265.08575	3.4
269.08353	2.1
269.37515	1.9
277.08575	3.8
279.10110	7.3
283.09705	4.3
284.10452	2.4
297.11160	3.5
307.09824	3.6
311.12793	10.2
321.11172	3.9
339.12222	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	357.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46474	1.6
55.01866	5.3
78.69270	1.9
83.36728	1.8
91.05513	4.4
94.04224	4.5
96.71829	1.9
111.48389	2.5
122.03664	7.5
129.06973	3.3
131.05006	2.3
131.08592	2.9
137.05971	100.0
141.16878	2.1
145.06479	3.0
149.06017	7.6
151.03941	2.4
151.07649	2.4
151.47578	2.6
153.05547	8.2
153.28088	2.4
154.30228	2.5
159.08002	2.4
160.05310	2.6
164.07143	7.9
164.77333	2.4
165.05569	3.0
171.63341	2.6
175.07564	4.3
177.05496	2.8
187.07631	5.3
191.07118	3.6
203.07091	6.2
219.08128	6.0
235.07626	3.1
247.07487	3.7
249.09148	3.4
251.10780	3.2
261.09210	3.0
264.07916	3.7
265.08643	4.6
277.08505	2.4
279.10297	8.9
297.11099	3.7
307.09714	3.4
311.12845	10.0
339.12180	20.9
357.14371	3.1
358.16711	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	357.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	2.9
57.98122	2.9
60.04529	4.7
61.18594	2.6
67.05485	2.8
69.03401	2.8
69.52020	2.5
70.06588	5.4
70.95859	2.4
72.08153	3.5
73.54118	2.9
79.05483	2.7
80.36092	3.0
83.08579	2.8
86.09686	6.4
91.05514	8.0
92.69065	3.0
93.07043	4.6
95.08572	6.2
95.92204	3.4
96.98983	2.9
105.06995	3.7
119.08587	5.3
137.05971	4.7
137.09618	7.4
142.03366	3.4
150.08069	3.4
172.44998	3.3
201.11250	7.1
344.83682	3.9
357.15247	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
71.29613	2.7
86.99191	2.5
104.61604	2.5
128.28050	2.7
132.14061	2.6
137.05962	26.5
186.85925	3.0
203.05251	21.3
280.62308	3.2
311.12796	3.3
357.18787	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00525	1.0
56.23233	0.9
60.58752	1.0
64.97165	1.2
80.52847	1.1
86.09644	1.2
87.91992	1.2
91.71599	1.3
93.07037	1.3
97.31552	1.3
103.41530	1.1
169.92570	1.2
214.95279	1.3
247.42197	1.3
324.91943	1.2
343.50977	1.8
357.18793	100.0
358.19122	1.5
374.70734	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	357.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.87461	2.9
61.61581	2.5
63.31242	3.1
71.67770	2.8
81.07048	4.5
102.91472	3.8
120.36191	3.5
143.10414	3.4
190.56186	4.2
211.60132	3.6
294.18317	3.4
357.18811	100.0
368.16458	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	357.2058
Annotation	Liphagal
Peak:m/z	Relative Intensity
53.62152	4.7
55.05507	8.8
56.96524	5.4
57.07054	25.4
57.85603	5.9
58.95017	4.7
59.04980	15.6
64.89481	4.6
69.07048	12.2
70.02628	4.9
71.16272	5.0
79.05495	5.9
81.07034	9.9
85.06532	6.8
91.05450	6.9
93.07020	6.6
95.08620	7.9
100.33363	6.1
109.10143	7.4
120.19486	5.4
126.72277	5.6
137.05974	16.6
153.05452	12.6
189.09103	9.5
199.93289	6.3
273.14752	39.0
287.21994	9.3
299.16373	47.1
339.18829	7.0
357.13739	12.5
357.20563	100.0
357.25092	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	357.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	49.2
56.18916	11.5
57.03424	31.5
57.07064	21.2
58.79284	13.1
65.25889	13.5
67.05482	88.6
69.07072	100.0
79.05483	22.9
81.07040	62.4
83.08606	52.0
93.07041	40.7
95.08595	62.9
95.71014	17.4
97.10150	35.8
107.08608	44.4
109.10143	32.7
121.10158	31.3
123.11742	19.0
135.11702	30.9
287.22229	34.1
301.23709	38.6
310.18152	17.8
357.26318	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76621	10.7
55.05491	63.7
57.07047	17.6
62.06338	12.0
67.05492	29.4
68.97040	12.0
69.07047	83.1
70.18999	11.5
81.07047	31.3
83.08587	41.4
95.08600	27.9
97.10158	15.5
97.60326	14.0
107.04942	57.9
109.10109	20.3
111.92471	15.1
115.67921	15.0
121.06470	34.8
123.46748	14.8
131.04979	14.1
133.06477	100.0
135.04471	18.5
145.06488	67.7
147.08054	64.8
149.05997	14.8
159.08067	42.3
161.09572	31.9
185.09628	21.6
238.67941	17.0
310.70581	16.0
320.07437	17.3
339.27029	29.6
357.27939	70.4
381.26746	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63215	4.9
55.05502	64.1
57.03421	21.4
57.07067	44.3
60.39960	5.4
60.64829	5.9
67.05492	79.6
69.07056	100.0
71.08590	15.5
79.05470	30.7
81.07043	84.9
83.04960	7.3
83.08607	83.3
85.10157	11.5
88.07616	8.4
91.05425	7.0
93.07024	47.8
95.08587	75.4
97.06524	21.8
97.10159	49.0
107.08587	31.5
109.10152	30.4
111.08041	9.7
112.95446	6.1
113.57405	6.8
121.10144	73.4
123.11704	15.8
135.11659	51.0
149.13277	21.4
151.14809	10.1
163.14819	10.6
165.16367	7.5
177.16388	7.7
205.19534	11.4
247.24150	34.2
265.25266	50.8
339.28964	25.7
357.26190	12.3
357.35526	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	357.2997
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.09241	4.2
55.05304	4.2
55.05505	55.2
56.68189	4.5
57.03419	14.1
57.07070	40.5
67.05491	74.8
69.07059	100.0
71.08612	20.9
75.77476	4.5
79.05490	33.1
81.07047	91.0
83.08608	66.1
85.10188	11.0
93.07022	48.1
95.08599	82.8
97.06520	22.8
97.10159	35.0
99.08073	5.6
102.90652	4.8
107.08578	47.0
109.10149	39.6
111.08075	12.7
111.11720	6.1
121.10148	56.5
121.76858	5.4
123.11732	14.5
124.84264	5.2
135.11681	43.1
147.53485	6.2
149.13243	25.0
151.14818	7.3
165.16331	5.9
247.24237	55.8
265.25223	44.8
339.28955	34.1
345.38370	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	357.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	66.4
55.67820	6.0
57.03423	7.1
57.07064	37.1
65.64363	5.7
66.19343	5.2
67.05494	84.0
69.06728	10.1
69.07061	100.0
71.04965	5.6
71.08614	22.5
73.71999	6.1
79.05476	35.5
81.07047	90.7
83.08611	83.1
85.10162	12.8
91.05473	8.4
93.07040	52.8
95.08595	88.5
96.34250	5.9
97.06523	26.1
97.10150	37.7
103.18436	6.6
107.08591	39.2
109.10145	41.5
111.08095	8.7
111.11704	17.8
121.10135	76.8
123.11681	12.7
135.11688	50.7
137.13342	6.9
149.01166	5.7
149.13280	18.2
163.14848	7.7
178.41264	6.1
218.09782	6.1
224.36908	6.8
236.83635	7.2
247.24213	46.1
265.25229	58.9
338.62930	8.3
339.28970	41.9
358.36646	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	357.2998
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
54.63215	4.9
55.05502	64.1
57.03421	21.4
57.07067	44.3
60.39960	5.4
60.64829	5.9
67.05492	79.6
69.07056	100.0
71.08590	15.5
79.05470	30.7
81.07043	84.9
83.04960	7.3
83.08607	83.3
85.10157	11.5
88.07616	8.4
91.05425	7.0
93.07024	47.8
95.08587	75.4
97.06524	21.8
97.10159	49.0
107.08587	31.5
109.10152	30.4
111.08041	9.7
112.95446	6.1
113.57405	6.8
121.10144	73.4
123.11704	15.8
135.11659	51.0
149.13277	21.4
151.14809	10.1
163.14819	10.6
165.16367	7.5
177.16388	7.7
205.19534	11.4
247.24150	34.2
265.25266	50.8
339.28964	25.7
357.26190	12.3
357.35526	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	357.2996
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.57778	6.7
55.05505	72.3
57.03425	11.2
57.07055	51.8
59.61052	8.3
62.06942	8.1
67.05490	87.7
67.50482	6.8
69.07056	97.9
71.08625	17.0
72.15612	9.3
79.05479	32.1
81.07044	98.0
83.08601	62.9
87.47555	9.0
87.63232	11.1
93.07040	68.2
95.08601	100.0
97.06518	29.6
97.10159	38.6
107.08588	44.8
109.10159	36.9
111.08106	11.2
111.11682	12.5
121.10114	74.3
123.11677	10.6
134.02051	9.2
135.11673	64.8
149.13197	22.5
163.14816	12.3
165.16426	10.3
247.24033	49.7
265.25204	54.0
339.28806	47.0
358.36841	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06576	16.5
75.04435	5.9
78.45611	4.4
84.04519	6.5
85.02872	6.3
86.06069	7.6
86.09720	6.2
121.70920	4.7
126.65282	5.2
147.77141	5.9
196.03711	100.0
319.87491	6.9
358.08813	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1647
Annotation	Discretine N-oxide
Peak:m/z	Relative Intensity
52.25477	2.1
65.84225	2.9
86.28711	2.7
124.05191	14.7
136.07584	13.0
137.05968	21.3
147.04391	2.8
150.09087	5.3
151.07501	4.4
151.43254	3.0
152.08321	2.9
162.06766	6.2
164.07050	95.5
164.08371	6.0
178.08574	4.4
206.08118	10.5
325.12964	5.9
343.14099	29.2
358.16434	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28688	2.7
55.05509	11.6
57.07074	14.8
60.04505	20.9
60.08157	24.0
67.04259	8.2
67.05486	6.6
69.07073	5.5
70.06583	32.6
74.16609	3.8
84.04490	6.8
84.08156	4.2
86.09731	6.4
87.08103	60.4
87.11111	4.3
91.05466	3.7
91.99892	3.6
95.06104	9.3
107.06066	32.1
108.06915	4.1
110.42641	3.4
112.07609	4.8
120.08223	4.5
125.01691	20.3
126.01711	4.0
126.02453	21.8
127.03259	37.3
130.66252	4.0
141.04860	12.2
152.10623	3.3
161.10814	10.9
169.04309	65.5
172.05307	4.4
184.08960	4.3
185.09892	11.6
192.42989	4.1
195.09520	6.6
223.08971	24.4
234.08182	5.3
255.11574	47.4
282.16422	4.7
314.18948	100.0
314.22375	6.9
358.07278	5.0
358.18033	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	358.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	10.3
56.05011	5.0
57.07058	15.9
60.04519	52.3
60.08167	22.7
67.04209	11.8
67.05478	3.6
68.05016	4.6
69.05816	4.7
69.07056	6.4
70.06572	15.4
71.17575	3.6
74.31629	3.7
75.33442	3.9
78.97736	3.9
79.05478	6.4
81.07059	5.8
86.09676	6.1
87.08093	58.3
90.89607	4.2
93.07001	4.5
95.04961	5.4
95.06068	5.1
97.06541	5.1
97.51266	3.7
99.01414	4.9
103.62351	4.8
107.06062	30.6
109.64062	4.0
121.06457	6.9
123.04431	7.3
125.01681	16.2
126.02483	24.3
127.03256	31.7
137.05962	6.4
137.22217	3.9
153.04881	6.6
161.10693	12.3
169.04300	62.2
185.09845	14.3
187.07726	4.8
191.07094	13.5
205.07922	5.9
223.09029	26.2
255.11632	38.5
265.20383	5.4
288.39807	4.7
314.18927	100.0
340.21112	5.7
353.53137	4.5
358.13052	8.5
358.17776	7.1
363.64990	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	358.197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04117	0.9
53.22143	0.9
56.05015	1.7
62.99702	1.0
69.07053	1.3
70.06585	100.0
71.06914	1.3
71.47339	1.1
72.08145	4.8
80.23351	1.3
84.04498	16.5
84.08147	2.7
86.09699	32.6
92.25581	1.2
94.16940	1.3
102.05534	8.7
116.07093	48.7
129.06635	2.1
132.10220	1.5
137.05962	7.7
138.06340	7.1
141.06564	1.7
173.87845	1.3
197.12833	6.0
199.10747	6.5
215.13916	12.4
225.12340	1.5
227.10263	7.7
243.13446	6.4
358.19437	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	358.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50762	2.3
53.55702	2.3
53.57599	2.6
57.07054	13.5
60.16246	2.5
60.48531	3.7
65.01349	2.5
70.06587	17.9
88.07639	21.6
91.71576	5.1
94.39806	2.7
94.55277	2.9
102.09146	5.9
106.08658	8.1
154.97214	3.1
158.12062	3.2
193.49216	4.1
222.15994	3.1
223.13982	3.9
276.39429	3.3
355.25833	3.6
358.36734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	6.9
61.02902	5.7
66.22004	2.3
67.53131	2.4
69.03423	13.2
72.32658	2.9
73.41808	2.4
85.02895	66.3
86.09705	6.4
91.98567	2.5
95.89198	2.6
97.02881	3.8
102.10628	2.5
104.65121	2.5
105.43794	2.7
123.04430	45.2
127.03912	10.5
128.08167	3.0
137.06038	2.9
145.04990	5.5
151.03896	100.0
169.04950	8.4
179.03433	3.9
197.04453	71.7
214.07034	3.4
238.07085	6.2
359.13141	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	359.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25840	0.9
53.48614	0.9
54.42358	0.9
54.99975	0.9
58.46754	0.9
60.33256	1.1
60.40400	0.9
65.03911	1.2
66.00571	0.8
72.08125	1.2
74.28428	0.9
79.05494	1.4
81.07030	2.1
84.60027	1.0
86.09710	1.3
91.05466	2.8
92.50241	1.0
92.81200	1.2
94.04179	4.9
95.04984	2.4
101.71108	1.0
103.05480	6.6
107.04942	2.2
109.06540	3.4
111.04440	1.8
115.05453	5.1
117.07005	3.4
119.04946	2.1
122.03635	9.2
125.06019	1.5
128.06219	3.9
128.51122	1.2
129.06984	9.9
131.04918	8.3
131.08636	1.3
137.05971	100.0
138.06348	2.3
143.05048	1.2
144.05684	12.0
145.06477	2.4
147.04434	2.2
149.05974	1.8
151.03903	4.4
151.07515	4.3
153.05482	2.2
157.06491	6.1
158.07343	1.4
160.05194	11.5
161.05948	2.2
163.07544	5.1
165.05489	1.3
171.08058	1.7
172.05171	13.2
174.06732	9.5
175.07532	42.8
187.07523	71.0
189.09068	15.4
191.08528	5.5
199.07562	3.3
203.08496	8.5
205.06543	1.7
211.07675	1.4
212.04723	1.9
217.08562	17.8
219.08044	10.3
220.08832	4.1
227.07127	3.9
231.08025	7.5
232.08669	1.3
235.07626	2.9
236.08417	2.2
237.08983	2.7
247.07481	6.3
248.08282	9.3
249.05278	1.3
251.10649	5.2
253.08662	2.2
255.06473	1.5
259.07614	2.8
260.08337	2.3
261.09097	2.8
263.10712	7.5
265.08582	3.8
270.08749	6.1
271.09436	2.3
275.06952	1.2
276.07843	4.7
277.08575	2.0
279.10147	9.5
281.08151	2.5
283.09668	2.3
291.10120	15.1
292.10983	1.8
293.08038	2.9
296.10306	6.7
308.10495	1.9
309.11099	1.4
311.12744	14.5
323.12698	21.6
341.13727	10.8
359.10574	6.2
366.82083	1.4
379.74710	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	359.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61909	2.0
52.50750	2.0
55.01866	4.3
57.07059	5.8
67.58821	2.3
69.03777	2.4
69.07052	2.8
73.02815	2.2
79.05457	5.2
86.09672	2.4
91.05468	17.0
91.29776	2.4
94.04161	5.1
95.05000	2.8
103.05460	31.6
104.14803	2.4
105.07027	7.5
107.04942	6.3
109.06440	3.5
111.27125	3.0
114.70788	2.6
115.05462	5.3
117.03290	2.6
119.04943	18.0
121.06474	3.8
122.03675	8.0
128.90091	2.6
129.07034	5.3
131.04915	47.1
133.02831	4.5
135.04402	7.7
137.04904	4.8
137.05971	100.0
144.05711	5.5
145.06525	3.9
146.03529	3.9
147.04413	12.0
149.05936	5.5
150.06836	3.8
151.03928	10.4
151.07550	3.5
157.06430	3.0
160.05238	10.2
161.05988	10.5
162.06772	8.1
163.03908	6.4
163.07495	14.7
165.05449	3.6
172.05269	6.7
174.06804	5.6
175.07513	33.6
177.05438	3.0
179.07053	7.4
187.03893	11.7
187.07549	42.4
189.09128	12.7
191.08621	4.1
205.08588	4.8
217.08604	6.9
219.07970	5.9
227.06911	4.5
231.08020	6.1
247.07574	5.0
248.08308	5.3
251.07259	3.3
251.10658	3.2
263.10654	8.0
270.08923	4.0
271.09653	5.1
277.08823	2.9
279.10120	7.1
291.10141	10.1
293.08112	2.9
296.10309	3.8
311.09390	3.5
311.12662	10.8
323.09354	3.7
323.12784	12.1
341.14020	7.4
359.14816	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	359.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
67.50182	2.2
69.03412	3.3
85.02900	5.9
96.33150	2.4
97.02866	2.6
102.24230	2.8
113.23145	2.8
122.08058	2.5
122.74477	2.6
137.02341	18.1
137.05937	2.9
179.07018	30.0
197.07997	12.1
202.36430	3.4
204.24873	3.4
227.17366	3.2
235.40575	3.3
260.11411	3.6
349.67093	3.0
359.13058	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51179	6.7
57.07070	100.0
61.30407	6.1
61.55726	6.2
61.62127	6.1
63.46375	7.1
66.04778	10.0
67.14559	6.2
69.03399	7.5
69.82429	5.5
70.66338	6.8
71.29100	7.7
72.17833	6.1
79.05487	8.4
79.14086	6.6
86.09706	14.3
89.93773	6.9
105.07030	8.9
107.04974	12.4
111.08098	22.2
122.03633	9.9
125.02337	28.5
126.57247	7.8
129.09122	7.7
131.04933	17.2
135.11646	7.1
137.05977	67.1
138.12706	8.8
144.05760	9.2
145.10115	8.2
145.54669	7.6
151.03954	11.1
153.01816	64.9
160.05087	7.2
161.05980	8.0
167.03340	12.6
175.07558	19.0
181.01328	21.7
183.12968	7.1
185.04562	9.7
187.07581	27.2
189.09312	7.9
191.10638	17.0
213.03958	20.2
217.08549	12.2
219.08275	9.8
253.10902	10.1
265.08615	11.1
279.10095	17.5
297.11343	10.4
311.12820	18.9
341.13794	9.2
353.10394	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	359.1335
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
59.51880	4.9
68.50987	5.1
70.77480	5.1
72.08126	5.9
73.02913	29.8
84.04536	7.8
85.02891	10.3
86.09684	9.1
90.84666	5.6
95.04950	4.9
95.39071	6.7
119.17513	5.3
121.49329	6.5
125.05972	29.9
127.03996	6.2
137.05965	21.5
149.07140	8.6
151.03889	100.0
156.31509	6.6
175.07585	6.6
179.07039	20.7
193.23006	6.8
197.08051	76.8
220.99301	6.3
299.12466	7.2
313.92010	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	359.1484
Annotation	Negundin B
Peak:m/z	Relative Intensity
50.02046	2.3
50.06346	2.2
63.48984	2.9
78.97144	2.7
86.79027	2.8
91.05476	4.5
94.04212	4.0
101.94167	2.9
103.05455	7.7
103.74818	3.0
115.05444	6.1
122.03661	8.7
129.07018	8.9
131.04912	8.4
137.05969	100.0
144.05705	7.5
153.05426	3.7
157.06528	6.1
160.05226	10.2
172.05228	12.3
174.06764	6.7
175.07530	36.1
177.05540	3.2
179.07068	3.4
187.07556	71.3
189.09012	16.4
190.62523	3.0
191.08478	5.6
203.08501	6.3
217.08592	20.8
219.08072	4.7
227.07091	4.3
231.07956	7.0
247.07718	7.1
248.08342	7.8
263.10654	5.8
265.08829	4.5
270.08926	5.3
271.09314	3.3
276.07715	4.6
279.10196	10.1
281.08185	4.2
283.09656	3.0
291.10068	20.1
296.10492	4.2
311.12643	20.9
323.12781	23.9
341.13809	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	359.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56566	5.6
74.37968	5.7
78.14928	5.7
85.94662	7.3
93.38062	7.3
102.63382	5.7
103.05480	8.5
104.05057	6.3
105.00317	6.8
120.53475	6.8
120.54295	6.5
121.06607	7.2
121.65645	6.9
131.04903	12.6
137.05980	100.0
149.05966	9.6
149.74512	8.3
151.03978	14.1
163.07625	8.3
175.07547	16.9
187.07555	26.7
189.09015	14.8
218.17879	7.8
240.01689	6.6
241.96483	6.8
247.07788	7.6
263.10284	6.9
291.10193	19.7
311.12793	18.3
323.12732	10.0
329.13699	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	359.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42085	4.1
52.20990	4.5
54.26280	4.3
68.96838	4.5
81.07040	6.4
91.05486	10.1
98.53434	4.9
105.06999	6.3
105.69701	4.9
109.06495	6.7
115.05457	10.9
115.75949	4.5
122.03638	6.4
132.86107	4.8
137.05971	100.0
143.04887	7.4
146.03571	6.4
149.05994	6.4
161.06000	40.2
163.07607	7.8
165.07024	17.5
166.07825	7.2
167.69342	4.8
175.07510	15.6
177.06912	7.3
178.07755	9.4
179.08522	10.7
181.06473	6.2
186.40283	5.3
187.07500	12.3
190.07820	8.8
191.08560	24.1
194.07327	18.1
205.06520	9.0
207.08069	15.5
219.08064	41.5
220.08641	6.5
221.05977	14.1
221.09459	6.1
222.06795	16.4
231.08072	6.2
235.07600	16.0
236.08353	15.7
237.09102	17.9
239.10635	9.1
247.07529	21.9
249.08925	7.2
250.60936	5.1
251.10690	21.5
253.08577	8.5
264.07953	14.0
265.08658	45.4
267.10150	8.0
279.10168	66.5
280.10748	10.3
295.09628	24.1
296.10718	6.1
297.11191	70.9
299.12671	28.9
309.11392	6.8
310.11905	17.4
311.12695	74.9
341.13828	39.7
344.43619	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	359.1485
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
50.61956	4.2
53.68399	4.0
63.85464	5.3
91.05442	6.6
99.58786	5.0
100.74751	5.4
102.34111	6.4
103.05433	7.0
112.05149	5.0
122.03704	6.4
129.06993	7.4
130.77379	5.9
131.04924	20.2
137.05972	100.0
160.05199	8.0
172.05148	7.8
174.06743	12.0
175.07512	33.8
187.07518	65.8
189.09138	12.6
191.08527	6.6
203.08464	8.6
213.64598	5.7
217.08652	16.9
219.08032	9.7
231.07947	7.0
248.08409	14.0
259.08127	6.1
263.10605	8.1
279.10150	14.0
291.10037	19.6
311.12753	11.6
323.12836	16.7
341.13831	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	359.1486
Annotation	Negundin B
Peak:m/z	Relative Intensity
55.01853	3.6
57.07064	8.6
64.82158	2.6
65.34705	2.7
73.10944	3.0
89.03911	2.9
91.05480	7.5
91.71035	3.1
94.04164	3.8
103.05451	9.3
107.04936	5.8
115.05450	4.0
119.04919	5.4
122.03601	6.1
123.04457	3.1
129.06996	8.0
131.04916	19.5
133.02899	5.1
135.04382	4.2
137.05966	100.0
144.05750	3.7
147.04414	9.7
149.05975	3.3
151.03906	11.5
157.06540	4.8
160.05205	8.8
161.06036	3.2
162.06738	3.5
163.03824	3.7
163.07561	6.5
167.03844	2.8
172.05206	3.9
174.06747	8.4
175.07512	33.7
179.06987	5.6
187.03917	11.4
187.07533	48.5
189.09119	6.6
199.07431	3.0
203.08553	7.3
217.08592	12.6
219.08113	10.0
227.07033	9.3
231.08098	5.1
247.07545	5.5
248.08362	5.0
263.10779	6.5
270.08853	10.3
271.09650	5.9
279.10126	8.6
283.09552	4.7
291.10190	15.3
311.12817	10.6
318.90067	3.5
323.12692	18.7
341.13934	7.0
359.14905	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	359.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.4
65.03934	2.2
69.60236	1.8
91.05485	3.9
94.04162	4.0
98.32617	2.2
103.05442	2.9
107.05025	2.5
115.05431	5.4
117.07013	3.6
119.04914	2.6
122.03643	8.2
129.07014	7.6
131.04915	8.4
137.05963	100.0
139.78897	2.2
140.19414	2.3
141.06892	2.2
144.05704	11.1
149.65405	2.1
150.98624	2.5
151.03929	2.8
151.07576	2.6
157.06511	4.9
158.07254	2.8
160.05194	7.0
163.07523	5.6
167.85413	2.4
172.05197	7.9
174.06732	11.9
175.07520	44.0
187.07532	71.4
187.09201	4.4
189.09093	16.6
191.08496	3.8
199.07477	4.3
199.21004	2.5
203.08571	10.4
217.08580	16.3
219.08102	8.5
220.08643	2.8
227.07033	3.8
231.08005	6.5
232.08856	3.3
233.09538	2.4
237.09125	2.7
247.07512	3.6
248.08290	7.7
261.08975	4.2
263.10672	7.5
264.07874	3.2
265.08713	3.1
270.08942	3.2
271.09698	3.4
276.07709	2.9
277.08548	2.5
279.10205	8.7
291.10162	12.9
296.10284	3.8
311.12808	19.8
323.12671	21.3
325.98795	2.9
341.13593	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	359.1486
Annotation	Negundin B
Peak:m/z	Relative Intensity
54.25417	2.7
61.22225	2.8
69.89845	2.8
73.02906	9.1
79.76205	3.5
91.05471	20.4
94.55055	3.2
95.04958	5.4
101.33544	3.2
103.05481	4.6
107.04951	10.1
109.06552	5.4
121.06494	5.0
122.03627	8.8
128.06261	5.0
129.06982	17.3
131.04980	10.6
134.88573	3.3
137.05962	100.0
137.06940	6.9
138.06714	5.0
145.06508	8.3
149.05934	16.8
151.03938	6.2
151.07515	26.5
157.06490	11.5
161.05971	14.3
163.07510	8.6
164.08295	10.6
165.06990	13.0
167.08617	4.7
171.64218	3.5
174.06805	10.7
175.07544	6.8
177.05476	9.9
178.07793	5.7
181.06430	5.6
182.09444	4.4
189.09126	15.8
193.06525	4.5
193.10158	6.3
194.07225	4.0
203.08560	8.1
205.06384	4.4
209.09700	5.3
210.06799	10.0
211.07521	5.5
221.05942	12.0
221.09570	11.3
224.08438	4.3
225.09163	12.2
232.95619	3.6
235.07620	4.7
237.09184	5.4
238.06339	4.5
239.06976	5.5
247.07437	4.1
249.09056	7.4
251.07021	6.6
253.08607	12.6
253.12140	10.0
254.09322	6.2
259.07504	7.3
263.10580	6.3
265.08856	4.7
267.10196	8.6
269.08057	6.4
277.08609	5.3
280.07336	7.8
280.10541	5.3
281.08142	10.5
281.11700	9.7
285.11230	13.6
291.10248	8.8
295.09613	8.0
297.11163	5.8
302.88586	3.9
309.11136	23.0
313.14319	21.2
323.12775	15.4
327.12463	5.0
341.13788	54.0
359.14880	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1697
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.19579	1.6
55.73217	1.6
57.07045	2.0
66.44228	1.4
67.05472	1.4
68.96503	2.1
69.03422	4.6
77.21711	1.5
79.05498	2.8
81.03402	1.8
81.07045	2.9
85.02888	12.7
91.05486	6.3
93.07028	9.5
97.02903	3.7
105.07023	6.6
107.08581	21.4
109.10091	2.0
119.08566	3.1
120.76543	1.8
121.06485	3.0
127.03909	2.4
133.10109	21.1
135.11676	25.8
137.05977	3.9
141.01935	1.8
151.11189	2.3
161.09610	12.2
179.10652	35.7
187.90347	1.7
197.11717	100.0
198.12122	2.2
214.14322	2.3
216.59357	1.8
222.15735	1.8
238.14488	2.7
271.82251	1.9
354.49960	1.9
371.01889	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	359.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	2.3
53.03932	2.5
55.05500	11.8
59.25583	2.0
60.04511	4.7
67.05492	2.8
69.03426	19.7
69.07062	100.0
70.06606	1.8
70.31049	1.8
71.04971	3.4
75.08295	2.3
81.03411	8.9
84.04525	2.3
85.02910	8.1
87.00797	2.2
91.71644	2.8
99.04433	9.1
100.60987	2.5
109.02866	4.0
111.04456	3.2
111.11723	10.6
127.03928	11.1
129.12721	5.4
145.10161	2.4
147.11688	2.7
157.12280	5.4
186.19655	2.5
213.03862	10.8
231.05035	4.5
272.29941	2.4
277.50220	2.6
284.70291	2.7
341.16205	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	359.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60033	1.6
55.05487	4.2
56.05015	6.3
60.51195	1.9
69.03419	2.3
69.07059	3.9
70.06570	8.5
72.08145	80.0
73.02888	2.6
83.06094	61.6
83.15109	2.4
84.04012	4.5
84.04494	62.4
84.08145	4.4
85.02904	6.1
86.09698	100.0
91.05490	3.0
91.66432	1.9
97.02854	2.0
101.07137	10.4
102.05529	6.1
103.05456	14.7
105.07089	2.0
109.02863	2.1
110.09679	2.4
110.81528	1.9
118.08653	4.3
121.06425	2.4
129.06601	4.2
129.10254	5.0
131.04922	36.7
132.10199	57.0
137.06003	13.8
138.09131	25.4
151.03860	5.7
155.11778	9.0
163.07600	10.9
173.96732	2.0
175.07515	5.8
179.06999	2.1
182.12871	46.5
183.11285	42.0
187.07463	2.7
191.07071	4.0
197.08138	5.2
197.12845	3.6
200.13902	15.6
210.12355	12.6
211.10722	5.1
211.16183	2.1
224.09445	2.7
228.13466	9.9
231.17090	5.0
242.14986	4.3
265.08783	2.8
279.10104	3.0
311.12723	4.0
341.21835	24.8
359.16809	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	359.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30783	1.0
55.05496	4.6
55.43535	1.0
55.95300	0.9
67.05466	1.1
69.07045	2.1
70.06573	4.9
72.08150	74.2
74.85191	1.2
84.04506	1.8
84.08137	17.9
85.02868	1.1
86.09702	100.0
87.05565	1.1
90.05544	6.6
92.56570	1.2
93.27995	1.2
101.07150	1.3
124.62495	1.1
125.97070	1.4
129.10249	14.8
147.07634	11.6
157.09731	3.4
158.01015	1.5
185.16486	43.1
185.18164	2.4
186.10808	1.3
199.17993	2.5
213.15979	24.5
228.17168	1.4
246.14452	4.1
256.12302	1.5
270.18137	1.5
359.13062	3.0
359.22995	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	359.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.6
56.59293	1.5
56.96541	1.7
60.05643	10.1
68.04982	1.6
69.03403	4.6
69.07044	1.9
70.06582	100.0
71.04969	5.4
72.08145	43.9
72.25511	1.3
75.54183	1.4
81.03426	1.7
84.04473	5.9
84.08123	5.6
85.02889	8.4
86.09692	26.5
88.07600	2.3
95.06063	2.2
97.02857	3.4
98.06036	3.4
104.60258	1.8
112.08719	17.3
115.08686	4.4
116.07083	12.1
127.03893	6.3
129.10220	3.0
130.04991	11.1
130.08678	3.4
132.10242	2.1
138.05522	1.6
138.06543	1.8
140.08195	2.4
143.11801	6.0
145.04985	3.3
147.07611	11.2
157.10776	2.1
159.67534	1.7
168.11327	2.8
169.09857	1.6
172.10756	3.9
175.11981	3.5
183.12395	3.7
183.14897	2.6
185.16454	2.1
187.10667	1.8
211.11841	2.8
225.16983	4.0
246.15674	9.9
271.17615	2.9
342.21396	2.8
359.13950	2.4
359.19046	2.1
359.23932	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	359.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	13.9
55.05497	47.5
56.96560	13.1
57.03418	36.9
57.07062	13.5
63.69578	10.5
67.05492	93.0
69.07051	46.1
79.05487	47.9
81.07052	100.0
83.04964	12.2
83.08616	36.2
85.02882	13.6
85.71564	12.0
91.05466	57.3
93.07045	93.3
95.08587	61.2
97.03786	13.4
97.10165	19.2
105.07024	40.3
107.08581	54.4
109.10130	27.9
111.08139	19.7
119.08556	30.6
121.10148	82.1
131.08565	23.8
133.10132	30.3
137.09642	20.2
145.02966	13.8
147.11688	25.0
149.09471	15.5
151.11139	20.1
204.43454	13.0
213.16495	21.0
231.17500	20.6
249.18474	94.5
252.05141	14.0
258.75516	15.1
341.23199	38.0
342.51523	15.7
359.24387	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	360.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.6
55.05495	5.3
56.05023	2.2
57.03440	1.4
57.95144	1.2
60.04519	11.3
61.01139	1.2
67.05500	2.4
69.03410	2.9
69.07049	3.7
70.06584	32.9
72.08147	100.0
73.08473	4.3
75.31353	1.5
79.05482	2.5
81.03427	1.6
81.07058	2.9
83.06087	2.2
84.04494	17.3
84.08140	3.2
85.02911	7.9
85.76287	1.5
86.09698	38.7
91.05482	6.9
92.89365	1.6
93.07035	2.7
95.04959	5.7
95.08588	1.8
97.02870	2.5
102.05547	13.7
103.05453	3.7
104.05325	1.9
105.07020	3.1
107.04939	2.7
107.08611	2.4
109.06495	1.8
116.07086	6.2
117.07011	4.9
117.10252	3.2
118.08653	2.4
119.04936	9.3
119.08611	1.4
121.06487	4.6
123.04424	56.0
124.11282	2.2
127.03920	4.9
129.06607	3.7
129.10237	2.4
131.04927	8.1
131.08586	2.0
132.10220	8.5
133.06494	1.6
135.04437	4.1
135.08086	3.9
136.07607	2.4
137.05968	8.7
145.02785	2.2
145.05064	2.7
145.06487	4.6
147.04402	23.1
151.03912	3.1
161.05986	4.7
163.03902	18.1
163.06311	1.9
163.07521	13.8
165.05473	14.8
172.11423	1.9
173.05946	7.8
175.07452	3.2
177.05527	2.0
179.07057	4.2
181.04863	2.7
181.79578	1.6
183.11276	3.2
190.08736	10.1
191.07016	50.1
191.08676	3.1
195.75974	1.7
197.12799	8.0
201.12331	17.6
203.06976	4.1
208.09677	14.6
211.10713	1.9
215.13907	4.3
217.13634	1.4
219.01491	1.4
219.21503	1.8
220.09622	2.1
223.07442	2.0
228.13464	4.3
229.11816	20.2
229.13847	2.7
235.07584	1.8
243.13342	8.3
284.12720	2.6
289.17990	1.9
311.19702	1.7
313.10760	4.6
325.10379	8.9
330.13455	4.3
342.13330	2.8
343.11752	12.5
360.14346	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	360.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99089	0.9
54.54983	0.9
55.05508	6.2
56.05022	2.2
60.04519	10.8
67.05491	3.4
69.03417	1.9
69.07061	2.8
70.06581	15.6
72.08147	100.0
73.08475	2.4
79.05470	1.3
81.03394	1.5
81.07047	2.0
84.04496	15.3
84.08167	1.0
85.02901	4.4
86.09699	29.8
91.05494	6.7
93.07054	2.9
94.90253	1.2
95.04964	3.2
95.08624	1.5
97.02905	3.1
102.05527	14.4
102.06120	1.6
103.05471	2.7
105.07016	1.9
107.04924	2.7
107.08585	1.7
109.06475	1.4
116.07070	4.7
117.07010	1.4
119.04917	4.7
119.08566	1.7
120.08088	2.2
121.06507	4.1
123.04424	35.3
127.03925	2.4
129.06639	1.5
131.04924	6.1
132.10228	5.9
135.04417	3.6
136.07593	1.7
137.05957	7.6
145.02856	1.4
145.06430	1.8
147.04398	15.3
147.70004	1.3
149.06004	3.0
151.03917	2.5
159.40517	1.2
161.06006	2.5
163.03896	17.2
163.06250	1.1
163.07477	7.8
165.05444	6.8
170.41393	1.5
173.05902	2.9
175.07501	1.5
179.07004	1.8
181.04980	5.5
183.11320	2.1
190.08618	6.4
191.07027	28.8
195.08003	1.5
197.12877	8.4
197.65939	1.2
201.12358	23.6
203.07063	2.0
208.09753	9.8
215.13774	1.8
229.11801	17.7
235.07477	1.4
242.14885	1.5
243.13376	7.9
267.10107	1.9
283.09668	1.5
283.19168	1.5
289.17911	1.5
307.18973	2.3
313.10632	2.7
325.10715	4.6
330.13358	2.9
342.13364	2.5
343.11725	9.4
360.14307	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	360.144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.5
60.04517	6.8
67.05486	1.9
70.06577	5.9
71.01343	1.5
79.09938	1.2
81.03396	1.8
81.07015	2.0
83.01323	1.6
91.05451	2.3
93.07025	2.9
95.03163	1.4
95.04971	2.4
95.08613	1.6
98.71982	1.3
105.07018	2.8
107.04916	1.5
109.06482	1.3
112.46626	1.3
113.06657	1.3
117.07011	5.9
119.04916	2.5
121.06489	4.7
123.04424	22.3
131.04947	1.7
135.04425	2.0
135.08070	3.6
136.07608	1.5
137.05954	2.8
142.31804	1.6
145.06476	3.0
147.04366	7.7
149.06032	2.0
151.03856	1.6
163.07533	16.9
165.05515	3.9
170.38074	1.4
173.06015	5.5
175.07635	1.6
179.07034	4.7
189.52405	1.3
190.08597	11.7
191.07013	59.9
203.07071	3.0
208.09669	100.0
307.18854	1.8
325.10654	4.7
342.13260	2.2
360.14325	21.0
363.93045	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	360.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46226	1.6
52.87218	1.4
55.01866	11.5
56.05027	4.8
57.03431	11.1
61.02917	5.3
63.70054	1.6
67.10281	1.5
69.03421	42.8
73.02902	4.1
81.03418	4.3
85.02895	100.0
94.27049	1.7
97.02890	29.9
99.04425	9.2
101.02367	7.1
109.02876	6.3
110.57175	1.9
115.03922	3.4
127.03912	66.4
145.04944	42.8
163.06039	8.1
191.86902	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	360.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
69.03411	9.0
77.03914	3.2
79.05487	2.4
79.61271	2.0
80.83389	1.8
81.03394	4.0
85.02897	13.9
87.04435	1.9
91.05461	8.1
93.07030	28.5
94.46461	2.0
95.04938	7.2
95.69850	2.0
97.02887	4.6
103.05488	2.5
105.04512	2.4
120.08091	85.6
121.08884	2.7
123.06805	8.4
127.03900	7.0
133.50610	2.3
135.06876	1.9
136.07564	8.8
137.05966	14.2
137.08359	10.9
138.05495	3.5
138.09128	91.1
144.10185	2.2
145.05014	2.7
148.07497	2.5
150.09128	59.1
152.07098	9.3
161.10722	52.6
165.07272	1.9
166.08661	8.8
167.09409	3.8
168.06429	1.7
168.30515	2.0
180.01065	3.4
180.10184	12.8
182.11769	1.8
191.11806	16.2
198.02147	2.7
198.11232	89.4
263.00894	2.3
348.78662	2.4
360.16547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.8
57.03425	4.2
57.21022	2.8
61.02910	4.2
61.84946	2.6
69.03418	22.5
70.06574	5.0
70.79881	3.2
81.03393	5.4
84.16391	3.4
85.02895	73.0
85.53157	3.4
86.09702	4.2
87.41840	3.0
91.05476	20.1
97.02877	19.2
98.49509	3.5
99.04429	6.6
101.02367	3.2
107.04968	4.0
113.63309	3.0
127.03894	27.8
135.04404	54.1
145.04961	18.2
154.12061	3.6
163.06061	10.7
163.07553	47.8
176.06956	8.7
181.08585	100.0
198.11414	4.6
222.11363	8.9
325.12924	4.7
342.22806	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	360.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35649	1.3
58.79992	1.5
72.08156	2.3
84.04478	1.6
85.02930	6.2
86.09734	2.6
87.79043	1.6
94.64722	1.4
95.05032	1.4
97.02931	2.1
97.64450	1.3
98.55202	1.4
103.05455	43.2
117.57333	1.6
131.04924	100.0
145.04959	2.3
163.07509	34.3
163.08687	2.2
167.26202	1.7
174.28537	1.7
200.87204	1.7
236.81126	1.5
342.92929	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	360.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
56.05013	2.0
57.03432	1.2
57.06265	1.2
60.04501	2.1
61.18509	1.0
61.66357	1.1
62.78326	1.0
64.02162	1.1
69.03416	3.6
69.07043	1.3
70.06573	11.1
72.08145	18.2
73.08475	1.8
79.05482	1.1
83.06089	4.6
84.04494	14.4
84.08124	1.6
85.02895	12.6
86.09695	23.3
87.10020	2.6
91.05460	1.5
91.25312	1.2
93.07047	1.3
95.04939	1.9
95.08556	1.2
97.02882	2.3
97.44331	1.2
102.05527	1.4
103.05461	39.9
116.07033	2.0
118.08704	1.4
123.04420	5.9
127.03905	3.7
131.04919	100.0
132.10226	7.6
135.08057	1.4
137.06010	2.4
138.09122	4.0
145.04973	2.4
147.04427	2.2
163.07526	34.8
173.05843	1.7
182.12970	1.5
183.11319	7.1
184.11739	2.1
190.08559	2.4
191.07048	10.9
200.13887	1.7
201.12343	2.0
208.09665	22.8
211.10738	1.7
264.79156	1.4
341.21838	2.5
360.14511	4.4
360.20172	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	360.2128
Annotation	Asp Ile Leu
Peak:m/z	Relative Intensity
50.43797	1.0
50.61246	1.0
51.26560	1.0
60.04517	19.8
69.03409	1.4
69.07063	12.3
70.02961	1.5
70.06580	2.9
77.96593	1.2
86.09698	100.0
87.10048	2.0
88.03979	16.0
93.07043	1.8
96.08132	5.4
98.02402	5.2
110.09700	1.8
113.10760	1.9
115.05033	1.5
129.04156	1.5
129.42874	1.5
131.04927	1.7
132.10193	5.5
133.06126	1.7
136.06248	1.6
138.09116	1.6
141.10210	13.9
143.52052	1.4
156.10208	23.9
163.07626	1.4
183.11308	5.8
201.12329	93.6
229.11818	16.3
307.19083	1.5
308.11295	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	360.2126
Annotation	Asp Leu Leu
Peak:m/z	Relative Intensity
50.97968	1.3
57.03431	1.7
57.74687	1.5
60.04520	14.2
64.89180	1.4
65.86672	1.4
66.63113	1.5
69.07066	2.3
71.04967	1.7
73.02901	5.5
85.02887	4.2
86.09695	100.0
88.03957	13.8
91.71714	2.0
94.70316	1.4
96.08122	4.0
98.02414	3.8
99.47932	1.5
100.03988	4.0
108.58091	1.5
110.99007	1.9
113.10756	4.1
127.03878	1.5
132.10199	5.3
138.09120	4.6
138.20113	1.8
141.10202	8.8
141.19505	1.8
156.09145	2.2
156.10207	13.6
183.11273	6.2
184.09738	2.4
201.12329	79.8
229.11823	18.4
273.23611	2.1
334.38080	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	360.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75138	0.9
55.05502	7.0
56.05021	2.4
57.47123	0.8
60.04237	1.5
60.04516	21.3
65.65972	1.1
67.05500	1.9
70.06579	11.3
71.05013	0.9
72.08145	100.0
76.21743	1.2
76.24564	0.8
78.47142	1.1
79.05473	1.6
81.03409	4.1
81.07056	3.5
84.04500	17.0
85.02899	1.6
85.08374	0.9
86.09698	21.9
91.05477	2.9
91.71020	1.2
93.07083	1.5
95.04960	1.2
95.08619	1.7
97.02851	1.1
98.51427	0.9
102.05539	14.5
103.05435	1.4
105.07005	1.9
107.04931	1.6
107.08585	1.4
116.07105	4.6
117.07018	2.2
119.08600	1.7
120.08080	1.3
121.10134	1.5
131.04941	4.8
131.08559	2.3
132.10185	8.8
137.05977	1.3
156.10170	1.1
157.10033	1.4
163.07576	2.5
183.11314	1.5
197.12828	5.4
201.12326	27.4
213.29039	1.2
229.11803	23.1
243.13358	6.9
247.16978	1.7
261.14578	2.3
265.17947	1.3
271.17059	1.2
283.19150	1.5
289.17929	3.5
307.19061	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	360.2128
Annotation	Glu-Ile-Val
Peak:m/z	Relative Intensity
56.05019	1.2
69.03416	0.7
69.07056	3.2
70.06577	3.8
72.08149	21.0
82.03895	0.7
84.04499	14.8
84.08131	1.9
85.02911	2.9
86.09699	100.0
95.87305	0.7
102.05544	5.7
103.05455	1.4
106.18073	0.8
118.08646	17.2
127.03879	0.9
129.06572	5.6
131.04938	3.4
137.06004	3.1
152.10727	0.9
163.07494	1.4
170.11792	2.6
186.42969	0.7
197.12837	7.0
199.18040	15.8
199.19670	1.2
215.13892	10.3
225.12341	1.9
227.17558	6.1
235.22621	0.8
243.13394	3.0
247.12955	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	360.2128
Annotation	Glu-Ile-Val
Peak:m/z	Relative Intensity
55.05502	4.4
56.05012	3.8
56.59574	1.6
60.04516	2.6
62.01876	1.5
62.06095	3.7
69.07043	3.6
70.06586	12.6
72.08144	88.7
73.08497	4.3
76.22053	2.1
84.04499	37.7
84.08159	2.8
86.09697	100.0
93.07059	1.9
96.12635	1.9
102.05541	14.3
106.59644	2.0
116.07133	3.2
117.10268	3.4
118.08656	18.5
127.03972	2.6
129.10277	2.7
131.04930	4.7
132.10179	22.7
138.09117	5.3
141.06676	2.7
156.10220	2.6
163.07446	2.5
183.11304	17.4
197.12811	4.6
201.12350	16.2
211.10774	4.6
215.13896	17.3
229.11821	10.5
243.13261	14.0
244.63391	2.4
252.26439	2.2
307.47205	2.4
357.51260	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	360.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	0.3
52.89666	0.3
53.03923	0.4
55.05483	0.3
57.03434	0.4
61.02919	0.6
63.52166	0.3
69.03436	1.8
70.06577	0.9
72.08152	2.9
73.02895	0.3
74.39146	0.3
77.03922	0.4
81.03427	0.7
81.86668	0.3
84.04488	0.9
85.02898	7.4
86.09698	3.5
95.04967	1.4
97.02876	1.5
99.04417	0.3
103.05463	45.3
105.04559	0.4
107.60721	0.5
112.39990	0.4
127.03912	1.3
131.04926	100.0
132.05264	1.1
137.05969	0.6
138.05560	0.4
145.04929	0.9
151.07553	0.5
162.07639	0.5
163.07535	32.3
164.07840	0.4
171.14917	0.5
172.21503	0.4
180.08684	0.8
181.08696	0.6
183.17113	0.4
184.06071	0.7
198.07608	1.0
199.18030	0.7
227.17493	0.6
307.34311	0.4
314.72943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	8.6
57.07066	7.9
62.40416	3.3
69.07046	13.2
71.08607	4.1
81.07034	6.1
83.08570	6.4
91.05486	6.7
95.08592	5.4
99.74047	3.3
105.28870	4.0
106.06562	33.1
106.74480	3.5
107.07322	13.4
118.06528	50.9
119.07309	7.3
120.08099	100.0
132.08102	20.0
134.09642	4.5
146.09644	31.4
160.11186	14.6
164.07050	33.5
167.82321	4.0
258.40964	4.1
314.28354	59.2
360.28976	81.0
360.36017	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	360.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99499	2.3
55.05495	9.3
56.05021	5.6
56.91656	2.5
56.96552	2.6
57.07071	2.6
60.04519	100.0
61.02900	4.1
67.05501	22.2
69.07050	12.9
70.06580	15.8
75.74488	2.7
79.05486	3.4
81.07037	24.9
83.08601	7.0
84.08089	2.6
93.07043	9.4
95.08600	25.2
97.10155	3.8
107.08576	4.7
109.10150	9.0
120.78457	2.5
121.10138	4.9
127.03889	2.9
155.55812	3.3
212.90404	2.7
264.26828	5.6
282.27954	5.8
298.27393	4.8
312.29111	4.3
324.28891	11.9
342.30063	34.6
355.48618	3.2
360.31018	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	361.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87792	3.0
58.72657	3.5
65.32047	3.8
67.69177	3.5
71.05009	3.8
86.09721	15.9
106.24438	3.9
137.05988	8.9
151.04031	4.9
153.06952	4.3
168.05699	9.3
181.06575	7.2
183.08051	19.0
196.05257	4.1
199.07448	3.7
211.07576	12.8
212.04712	12.8
239.07129	6.4
240.04135	6.6
243.10164	14.8
255.06474	44.5
256.07047	6.0
257.04413	10.3
283.05969	100.0
285.03973	8.6
297.07538	5.1
299.09177	10.2
300.06299	28.0
311.05389	5.3
315.08594	39.8
342.84311	5.5
343.08066	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	100.0
63.85597	19.6
87.68312	22.6
102.57195	23.8
140.00211	23.2
141.56075	21.9
203.30557	25.7
249.85023	26.0
298.11130	35.0
342.10037	27.0
361.09662	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	361.128
Annotation	Vernodalin
Peak:m/z	Relative Intensity
51.45857	3.9
53.95776	3.6
55.01854	16.2
57.53743	4.3
67.05508	4.7
67.49891	4.6
73.02909	100.0
80.46789	4.8
85.02887	5.8
91.03932	5.0
95.08620	4.9
103.05471	8.3
105.06998	5.8
114.05528	9.0
135.04407	8.9
137.05988	34.1
147.04431	11.9
152.06209	5.8
153.07010	15.5
161.06030	22.2
161.07227	5.7
162.06702	7.5
165.07001	7.0
169.06529	10.6
181.06511	32.4
183.08083	7.1
197.05942	6.7
198.06816	7.9
209.05934	13.8
211.07564	20.9
213.09131	6.3
213.80638	4.8
237.05443	6.5
239.07022	39.5
256.07306	37.0
259.09695	22.6
265.04846	8.8
271.09604	40.6
283.09705	9.0
285.07562	31.3
293.08069	6.1
297.07523	36.5
301.07086	13.3
311.09216	8.2
325.10751	15.9
331.11719	29.3
343.11731	47.5
361.12814	10.0
361.18439	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	361.1394
Annotation	3-Methoxytyramine-betaxanthin
Peak:m/z	Relative Intensity
50.64635	3.4
56.05014	4.0
63.56956	3.4
70.06584	9.0
72.08147	45.5
73.36962	3.2
74.06065	8.8
79.05493	4.6
84.04500	13.2
84.08131	75.1
84.62888	3.5
85.02879	5.3
86.06042	4.2
86.09703	34.1
87.05569	6.2
88.03986	5.3
91.05486	13.6
98.62095	3.7
101.07118	4.9
106.06512	4.5
107.04944	16.7
116.07124	7.6
118.06548	15.4
119.04926	16.4
119.07317	100.0
120.05759	10.8
120.08075	5.2
122.06100	4.4
129.10233	32.1
130.05019	9.0
134.06024	27.9
135.06790	51.4
136.06259	4.3
147.07642	9.2
150.05580	4.8
187.14429	4.7
189.43510	4.2
201.12393	6.8
207.08043	7.0
221.05768	3.8
223.07460	4.7
225.08992	4.4
235.07549	4.4
237.09108	14.8
239.06964	5.5
241.08551	28.9
252.10190	17.3
253.08556	12.2
254.11713	29.8
256.09836	9.0
257.08075	4.7
269.12869	29.5
270.11264	23.8
283.09674	14.9
298.10831	14.3
299.09326	5.0
300.12082	8.7
315.13361	98.7
316.11752	14.5
324.59711	4.0
361.13916	54.1
361.24500	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	361.212
Annotation	O-Acetylcypholophine
Peak:m/z	Relative Intensity
57.07065	11.6
57.11658	1.6
59.04974	2.5
69.07062	2.0
73.66341	1.8
74.74190	1.8
75.46676	1.9
76.50558	2.4
79.05492	2.9
81.07040	3.9
84.04483	23.6
85.02897	8.5
85.06536	3.8
86.06065	2.9
91.05474	8.4
93.07044	4.0
95.08585	2.6
98.38729	1.7
101.07160	2.4
104.47552	2.0
105.07010	6.0
108.01471	2.1
119.04939	10.5
128.57605	2.4
129.06973	4.4
130.05020	13.3
131.08557	23.4
135.04362	2.8
137.05949	4.9
145.10080	2.6
151.03928	2.4
159.08070	6.3
162.34039	2.7
173.09604	2.2
173.29742	2.2
174.09175	2.1
215.14320	35.9
216.13919	3.3
232.16920	23.8
234.51155	2.5
270.18680	4.2
281.52069	2.4
298.17871	3.6
344.18378	10.3
361.21158	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73953	2.3
51.99232	2.6
54.11579	2.6
67.05508	3.9
69.23581	2.7
70.06565	2.7
79.27203	2.7
104.99261	7.6
107.61418	2.6
112.24259	2.8
112.31394	2.6
173.90170	3.3
296.74496	3.2
332.47720	3.6
361.23422	100.0
377.79242	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	361.2371
Annotation	22-Deacetylyanuthone A
Peak:m/z	Relative Intensity
53.81411	11.7
55.05491	27.2
60.53708	10.8
65.39863	13.6
67.05503	38.9
69.07052	46.8
70.98190	14.8
71.04982	20.4
75.21284	11.2
81.07034	45.0
81.29253	14.2
87.65855	14.2
91.71140	29.8
91.71613	13.7
93.07043	25.9
95.08597	54.7
99.47367	13.0
105.07018	17.2
107.04942	76.2
109.10153	23.2
111.08022	16.2
120.88904	13.1
131.39178	13.7
133.06508	72.0
135.11656	14.3
139.70573	14.1
145.06473	49.8
147.08055	65.4
151.03868	27.5
151.62820	15.0
159.08121	20.2
161.05962	27.3
173.09552	15.4
175.07397	17.9
343.22733	100.0
361.23917	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.237
Annotation	22-Deacetylyanuthone A
Peak:m/z	Relative Intensity
55.05504	59.1
55.26741	14.1
60.04481	14.5
67.05492	69.5
69.07050	56.5
71.04966	14.8
79.05473	24.4
81.07063	85.0
83.08597	30.3
91.05485	16.8
91.71482	33.4
93.07032	43.4
95.08596	74.1
97.06556	18.9
104.99255	79.8
105.07040	16.3
106.48666	12.6
107.04943	44.2
107.08615	21.0
107.22064	15.4
109.10149	18.7
116.31651	11.9
121.06487	15.8
122.35612	13.2
126.21703	12.2
129.44940	16.0
133.06454	76.7
133.10152	15.2
143.33377	16.3
145.06490	77.7
147.08049	57.0
151.03914	48.2
157.06584	20.0
159.08046	25.7
171.08029	16.6
184.90483	14.5
210.78030	13.8
279.15710	37.9
282.09155	15.8
298.17236	16.1
325.21646	64.1
343.22638	100.0
361.23804	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.237
Annotation	22-Deacetylyanuthone A
Peak:m/z	Relative Intensity
51.00592	4.1
52.45805	4.4
52.64359	4.1
55.01862	10.0
55.05511	15.9
55.05764	4.5
56.97428	4.2
57.03424	7.2
57.07070	12.5
60.55489	4.2
67.05494	56.0
67.05779	4.5
69.07068	8.9
69.77740	5.5
79.05495	11.9
81.07045	52.8
83.08644	8.7
85.10180	37.9
91.05543	7.4
93.07056	9.9
95.08601	45.6
97.10204	4.8
105.07072	15.3
107.04951	27.4
109.10199	14.7
111.08120	9.1
113.09688	24.5
121.06519	11.6
123.11752	7.9
133.06461	38.3
133.13928	5.5
135.04445	6.8
144.05768	6.6
144.10449	5.4
145.06511	20.1
147.08049	29.2
151.03938	16.7
157.06563	14.4
159.08073	13.0
161.06036	13.4
161.09671	9.8
171.08101	18.2
173.09724	9.0
175.07582	6.2
185.09595	5.7
196.12296	6.6
201.12915	8.2
213.12605	7.0
215.14374	5.8
230.12169	6.2
231.13866	18.3
238.10962	5.6
265.99927	6.7
307.20438	7.6
325.21683	15.8
343.22623	100.0
377.25357	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2372
Annotation	Cannabigerolate
Peak:m/z	Relative Intensity
55.01871	58.5
55.05494	9.9
55.20002	4.7
57.07080	5.0
57.42785	4.7
59.86308	4.3
61.81262	4.5
67.05499	37.6
69.07054	19.1
79.05484	19.7
81.07035	34.7
83.08598	8.5
91.05482	14.4
93.06998	10.5
95.04979	7.1
95.05746	5.5
95.08607	25.4
97.06525	68.9
101.91500	6.2
105.07044	13.1
107.04953	34.6
109.10172	13.0
111.38393	6.0
117.07082	4.8
126.29379	6.0
133.06488	59.9
135.04396	6.5
145.06514	55.8
147.08069	25.9
157.06483	15.9
159.08076	18.9
161.06006	16.8
161.09698	8.8
171.08099	8.1
181.15700	6.2
185.09605	7.3
188.10191	6.4
247.13327	23.7
265.14386	8.4
275.26117	5.9
343.22675	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2371
Annotation	Beilschmiedic acid B
Peak:m/z	Relative Intensity
55.01656	4.1
55.01868	49.1
55.05508	32.2
57.03432	5.4
61.98831	4.2
63.05120	3.9
63.05485	4.1
67.05489	22.9
68.93288	3.9
69.07046	15.0
71.05006	6.1
79.05487	13.4
81.07046	15.9
83.04970	6.3
83.08617	4.5
91.05461	9.8
91.16097	5.1
93.07037	7.7
95.04967	5.8
95.08605	15.6
97.10155	11.3
105.07027	8.4
107.04967	15.9
107.08622	5.3
109.10197	5.0
113.91834	4.9
117.06956	5.4
121.48763	4.5
125.09618	46.1
129.06940	5.8
131.04958	5.0
131.21362	4.8
133.06477	40.8
135.04440	6.7
144.05731	12.4
145.06487	32.8
147.08064	10.9
157.06482	31.5
159.08075	10.4
161.06021	12.1
173.09656	12.9
183.07985	7.5
185.09581	30.8
199.11198	13.1
227.10730	7.4
282.32077	5.2
315.23077	5.8
325.21396	8.0
343.22659	100.0
361.23657	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	361.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96546	1.6
55.05500	2.6
57.03431	35.2
61.02914	8.2
67.05497	18.0
69.07062	5.2
69.67567	1.5
71.04988	1.6
75.04469	2.3
75.97158	1.6
76.12009	1.6
79.05468	2.6
81.07045	12.0
83.08598	2.6
84.08132	15.1
93.07032	9.2
95.08592	20.8
97.06527	2.3
99.08108	1.9
107.08598	5.5
109.10146	15.5
117.05488	100.0
121.10130	8.6
123.11676	2.7
135.11671	4.4
149.13287	1.9
150.10106	1.8
178.87428	2.1
191.18004	2.4
234.45796	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	361.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.4
57.03167	2.8
57.03433	48.1
60.04485	3.5
61.02909	10.2
61.32835	2.6
67.05498	20.2
69.07059	6.5
71.04983	3.4
77.51986	2.3
79.05491	6.0
80.00619	2.4
81.07057	15.5
83.08622	4.8
84.08134	30.1
84.34451	2.7
91.05460	5.3
93.07037	12.0
95.08599	19.4
107.04980	3.0
107.08583	3.8
109.10175	13.1
117.05489	100.0
121.10157	11.6
123.11716	3.7
125.09575	2.5
134.49728	2.5
135.11688	9.3
140.45575	2.4
142.04912	3.0
145.10153	2.6
149.13200	4.5
191.18085	2.6
232.91216	2.5
235.24800	3.3
361.24799	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	361.2735
Annotation	O-Arachidonoyl Glycidol
Peak:m/z	Relative Intensity
53.81678	3.9
55.01858	11.0
55.05496	18.6
57.03429	29.7
65.03918	4.5
66.28322	3.7
67.05499	100.0
69.07054	14.8
71.08623	4.6
73.02917	4.4
78.37431	3.7
79.05490	36.3
81.07051	77.8
83.08603	7.9
83.87643	3.8
86.60410	4.3
91.05462	36.9
93.07040	56.9
95.04977	6.8
95.08598	49.1
97.06518	7.0
105.07037	26.1
107.04933	5.5
107.08582	26.2
109.10131	23.7
117.07020	8.2
119.08591	19.0
120.51417	4.1
121.10137	26.7
123.11731	5.7
129.05524	20.0
131.08562	17.7
132.32088	4.5
132.52629	4.4
133.06410	5.5
133.10129	17.6
135.11700	20.7
145.10089	12.8
147.08061	4.5
147.11700	9.3
149.13306	8.1
159.11726	12.4
161.13185	9.7
171.11652	4.8
187.14867	4.7
203.17924	6.7
269.22617	13.2
287.23599	5.1
317.98355	4.7
361.27328	60.1
362.30527	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20893	8.6
55.05502	67.4
57.07074	74.7
64.09255	7.7
67.05506	68.4
69.07057	78.2
71.08624	35.5
72.61504	9.6
75.47909	8.7
79.05484	18.8
79.69252	8.7
81.03397	15.1
81.07043	39.8
83.04970	18.5
83.08630	51.7
85.10177	15.0
88.01522	9.5
91.05465	63.0
93.07044	32.3
93.97514	11.5
95.01308	74.2
95.04972	44.4
95.08612	31.0
97.02873	11.0
97.10177	32.3
97.58143	9.9
105.07025	65.9
107.08611	16.3
109.10193	12.5
111.04436	43.5
119.08588	100.0
121.10191	15.0
123.04462	53.8
133.10103	79.5
147.08035	17.2
147.11650	59.9
151.07544	13.9
161.13240	39.5
165.09116	40.5
175.14798	21.8
179.10670	34.3
189.16428	14.0
193.12294	31.0
207.13753	25.5
216.16240	10.9
221.15359	20.0
235.16962	19.9
249.18507	16.8
263.19922	27.9
277.21558	19.1
315.30710	10.7
361.30917	22.8
370.81665	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	362.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76870	2.1
57.06799	5.7
57.07067	89.9
67.69643	2.4
73.30399	2.4
73.53862	2.8
77.47664	2.6
79.05500	3.3
91.05455	6.4
91.71616	5.9
92.86919	2.8
93.07024	3.9
102.64082	2.9
105.07017	6.6
107.04947	5.0
111.08075	60.0
119.08572	7.7
123.04435	3.8
131.08607	5.8
133.06519	5.9
137.06001	4.4
145.10104	4.7
147.08067	9.1
149.09612	3.6
159.08066	3.8
161.09583	5.6
165.09120	15.5
169.97614	3.1
173.09634	3.3
175.07576	15.3
177.09116	5.8
189.09085	4.3
191.07043	5.4
193.08589	5.1
217.08595	10.7
219.10187	4.5
221.08063	8.1
235.09689	6.6
245.08128	5.8
263.09070	5.4
267.08817	4.2
291.08542	10.0
309.09595	28.5
327.10699	100.0
389.30072	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47318	1.6
53.93906	1.5
57.07068	100.0
57.07352	4.9
73.93269	2.1
79.88821	1.9
103.24526	1.9
111.08076	39.7
129.09123	7.3
135.04443	4.5
145.10069	2.5
147.07979	2.5
151.03972	2.6
153.01828	3.7
165.09143	2.5
201.09195	3.3
225.03976	2.4
253.08423	2.9
291.08322	2.7
309.09644	50.7
327.10724	21.0
350.12451	3.9
367.11459	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	362.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	4.1
56.05025	3.0
57.03428	8.7
57.73828	2.2
61.02913	11.0
63.95405	2.0
69.03414	19.3
70.06580	9.3
70.84602	2.1
71.04948	2.7
72.08144	4.3
74.06074	4.7
81.03417	6.3
81.16103	2.5
82.13206	2.2
84.04476	6.1
84.08147	5.0
85.02899	91.0
86.09692	5.5
91.03970	5.6
97.02863	11.2
99.04446	4.5
107.04955	4.2
109.02869	2.4
127.03920	26.0
132.10181	3.6
135.06824	7.8
137.05978	100.0
140.07016	3.4
145.04948	21.4
163.05997	12.5
180.08694	4.6
183.06516	22.3
203.10231	4.4
210.06650	3.2
247.24829	2.8
299.09161	4.7
316.11911	8.4
316.35995	2.3
362.12271	4.9
366.21991	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	362.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08797	3.6
53.03937	30.3
55.05509	4.4
55.11294	3.3
61.26897	3.6
63.91417	4.0
67.05476	4.3
77.46964	3.9
79.05481	26.3
81.03405	33.2
81.07054	7.6
83.04967	39.2
85.25996	4.9
91.05490	7.5
93.07020	6.6
95.04946	5.1
105.07024	8.5
107.04942	49.2
107.08583	10.6
109.06583	5.8
111.04312	4.9
117.07018	9.3
129.06972	10.3
131.08588	22.0
135.08049	20.2
141.06923	4.4
143.08591	5.6
145.06494	10.9
145.10109	12.9
157.10179	4.5
159.07935	4.6
165.74916	4.3
173.13191	21.1
201.12726	82.5
216.29552	5.4
229.12234	100.0
261.77991	4.7
308.72833	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	362.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.7
57.03424	1.5
57.64228	0.9
61.02916	1.9
69.03419	6.2
71.09839	1.0
73.02932	1.0
79.05468	1.6
81.03409	3.2
84.63672	1.1
85.02901	26.0
91.03942	1.2
97.02881	7.6
99.04418	1.3
103.05449	1.4
104.54596	1.0
105.07017	19.1
109.02849	2.9
112.24944	1.1
113.79147	1.1
118.28387	1.2
122.03623	1.6
126.68504	1.3
127.03926	3.4
133.06485	42.2
137.05972	100.0
145.04973	4.4
165.09097	31.2
170.17464	1.6
180.08640	2.0
183.10159	28.0
188.52008	1.4
284.33411	1.3
304.99765	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	362.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98450	3.8
53.04909	3.5
55.76634	4.2
57.07069	57.0
67.05496	8.6
67.42369	4.7
81.07046	7.0
82.12628	5.2
85.02925	19.9
91.05507	11.0
93.07027	49.4
93.77032	4.7
95.08589	40.3
97.02912	6.3
103.64418	5.0
105.07057	10.3
107.05008	4.9
107.08595	42.3
109.10146	33.1
111.08113	13.0
119.08568	53.9
119.09369	6.0
121.10130	30.2
137.06050	8.2
137.09621	55.9
139.05324	4.3
140.37679	4.4
147.08067	11.9
163.07600	4.6
165.09096	100.0
179.03427	5.8
183.10152	66.3
201.09334	5.2
207.28108	4.8
224.12836	8.7
309.09814	12.0
327.10748	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	362.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75839	2.0
53.69004	1.8
55.01866	2.2
55.03432	1.9
55.83460	1.9
57.03430	2.5
57.07061	7.7
61.02910	2.1
67.05499	4.2
69.03413	11.1
70.21218	2.2
74.97788	2.0
81.03413	3.4
81.07045	3.3
85.02888	26.1
91.05474	31.3
91.71624	3.2
93.07024	5.5
95.08590	7.5
97.02882	29.5
97.80183	3.1
105.07015	18.9
107.08631	3.2
109.06483	3.4
109.10155	19.8
117.06998	4.0
119.08570	33.3
122.03653	2.8
123.00932	2.8
124.95513	2.6
129.01033	3.4
133.06482	40.9
135.24449	2.7
137.05968	100.0
137.09595	4.9
139.03885	5.6
147.08057	12.3
158.65889	3.0
165.09103	62.0
181.09695	3.8
183.10164	34.8
248.84659	3.2
281.62119	2.8
296.49316	3.3
327.10849	3.8
342.85159	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	362.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98450	3.8
53.04909	3.5
55.76634	4.2
57.07069	57.0
67.05496	8.6
67.42369	4.7
81.07046	7.0
82.12628	5.2
85.02925	19.9
91.05507	11.0
93.07027	49.4
93.77032	4.7
95.08589	40.3
97.02912	6.3
103.64418	5.0
105.07057	10.3
107.05008	4.9
107.08595	42.3
109.10146	33.1
111.08113	13.0
119.08568	53.9
119.09369	6.0
121.10130	30.2
137.06050	8.2
137.09621	55.9
139.05324	4.3
140.37679	4.4
147.08067	11.9
163.07600	4.6
165.09096	100.0
179.03427	5.8
183.10152	66.3
201.09334	5.2
207.28108	4.8
224.12836	8.7
309.09814	12.0
327.10748	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	362.2535
Annotation	Broussonetine F
Peak:m/z	Relative Intensity
60.04519	100.0
61.69625	0.7
66.02151	0.7
67.05489	1.5
74.04414	0.9
79.05485	1.1
81.03399	4.8
81.07044	2.3
81.10381	0.8
89.75287	0.8
91.05469	0.9
95.08604	2.6
107.08600	1.0
117.06995	1.3
121.10144	1.6
131.08611	1.1
137.83740	0.9
142.27255	0.9
159.17155	1.0
168.99791	0.8
190.04164	0.9
209.11369	0.9
230.87978	1.0
273.18585	1.9
289.18826	0.9
291.19516	9.5
308.22107	4.1
309.20212	1.1
326.23132	6.2
344.24313	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	363.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79561	0.7
53.03934	1.0
55.01859	1.4
57.24256	0.7
63.02328	0.8
65.03949	4.6
67.05489	3.0
67.69784	0.8
69.51216	0.9
70.44969	0.8
70.45365	0.9
71.01340	3.7
77.03909	1.3
79.05489	7.6
89.03917	0.9
91.05470	3.6
93.03416	0.9
95.04964	9.9
105.04517	1.4
107.04940	11.4
108.02089	3.2
109.02876	1.3
109.06557	1.4
111.04442	2.4
117.03416	1.1
118.04163	3.4
118.06554	1.2
119.04916	2.2
120.47017	0.9
121.06496	14.2
122.03654	1.9
123.04435	4.0
124.05218	1.8
124.54977	1.0
125.05960	6.2
129.13158	1.0
133.02834	7.0
134.05983	1.3
135.04417	11.1
137.05954	6.8
141.05519	4.6
146.03636	3.2
147.04399	4.8
149.05966	31.5
150.06775	5.7
151.03900	100.0
151.04979	6.7
153.05453	6.4
154.02589	1.1
161.05910	1.7
163.03909	5.4
165.05528	4.8
165.36914	1.1
166.02734	1.4
166.06271	4.1
167.07030	6.9
169.04948	1.6
177.05450	7.5
178.02657	2.2
178.06241	25.3
193.04971	3.6
195.06448	5.5
196.07274	17.9
210.91228	0.9
211.05933	1.2
220.16611	0.9
244.68050	1.1
283.06107	1.4
313.07089	3.2
315.08633	1.8
319.07874	1.1
335.55099	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68826	65.6
56.72498	65.9
56.96554	100.0
62.57908	60.8
63.25825	54.9
65.55191	59.8
73.37090	58.8
94.56796	61.4
101.22485	93.8
138.83353	80.5
173.33133	71.4
195.43599	80.5
206.25053	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09146	14.0
56.96557	53.8
62.53906	15.6
66.85049	18.1
69.70879	18.9
73.16739	17.5
84.96020	48.1
98.97587	28.2
121.80090	20.8
181.02904	22.3
303.09464	23.9
321.09998	31.9
344.11670	100.0
367.13220	63.1
386.12741	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	363.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37282	15.0
53.94390	14.4
55.01885	13.5
56.96559	100.0
98.97470	19.7
105.06993	17.0
117.53537	17.8
133.23705	17.5
137.06058	18.5
140.00209	27.8
147.14040	20.1
168.09682	19.8
174.64398	19.0
179.90891	19.4
181.02878	24.2
193.32968	20.0
193.35648	20.2
233.04910	29.7
274.07361	46.5
281.06894	25.0
286.07599	63.4
304.08453	24.3
347.62357	21.7
354.07971	22.0
363.11255	98.8
363.17792	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	363.1436
Annotation	Gibberellin A21
Peak:m/z	Relative Intensity
52.42894	10.0
55.01870	17.5
55.05490	27.8
57.03423	20.2
57.07072	37.9
60.04512	24.4
61.97948	10.7
67.05499	42.5
69.03401	34.4
69.07043	34.7
71.04978	27.8
75.79804	11.7
79.05493	47.0
81.07036	44.0
83.01308	28.1
83.08578	34.0
91.05473	59.9
93.07026	33.5
95.04998	18.0
95.08586	28.9
97.06563	14.4
103.05443	18.8
105.07031	57.4
106.00390	12.9
107.04943	26.9
107.08587	17.7
107.72305	13.4
111.08096	56.0
111.54242	13.3
117.06966	35.5
119.04961	21.4
119.08604	48.3
121.06473	20.2
128.06268	21.5
131.04901	20.1
131.08609	29.3
133.06517	17.8
133.10153	29.1
136.06186	20.6
141.06993	22.7
142.07742	17.4
143.08534	40.2
145.06525	21.4
145.10173	23.2
147.11789	25.9
155.08513	18.6
157.10103	37.2
159.08070	21.6
159.11687	31.4
171.08150	23.5
171.11641	30.0
173.05975	15.6
173.09694	31.7
175.03854	16.4
175.07594	21.9
175.11249	18.6
179.08546	24.6
183.08141	25.8
183.11743	17.3
185.09650	30.7
187.07565	22.2
187.11153	33.9
197.13263	19.5
199.11108	20.4
201.09183	18.8
203.07098	34.7
215.10551	21.5
227.10724	19.3
227.14478	26.1
229.08481	20.3
234.03195	15.4
237.12978	15.6
243.13907	22.5
245.12001	19.8
245.15192	16.2
249.07550	84.5
249.86609	15.3
253.12317	37.0
255.13777	34.5
257.11646	17.7
268.07108	15.6
271.13214	40.1
273.14902	16.4
281.11639	27.3
289.10992	24.9
289.14313	33.8
299.12851	68.8
307.11560	17.4
312.18106	30.5
317.13736	77.8
327.12241	49.6
335.14996	26.1
345.13339	63.0
362.21826	46.4
363.14505	88.0
363.22168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1801
Annotation	Gibberellin A115
Peak:m/z	Relative Intensity
55.01850	2.5
55.05484	3.7
56.74187	2.1
57.06798	4.8
57.07065	72.2
57.74995	2.4
60.02191	2.3
62.52687	2.0
64.89838	2.4
67.05489	8.5
69.07057	2.3
74.95177	2.3
79.05460	6.6
81.07026	6.4
82.67581	3.2
83.04981	5.8
83.08598	2.8
88.07598	3.6
91.05469	16.6
93.07031	12.3
95.04964	13.5
97.06528	4.0
105.03424	5.9
105.07020	13.3
106.61974	3.0
107.04963	6.5
107.08583	8.3
109.06514	6.6
109.10186	3.2
111.04411	3.3
111.08074	3.1
111.71787	3.0
117.07006	10.6
119.04906	2.8
119.08524	7.2
121.02857	3.8
121.06509	17.5
121.10142	2.9
123.04437	13.4
129.06979	10.4
131.04929	4.1
131.08557	9.9
132.10176	4.1
133.06480	41.8
133.10123	10.5
135.04399	3.8
135.08046	6.2
137.06023	4.5
141.06995	12.1
142.07732	2.8
143.08557	9.6
145.06523	7.3
145.10074	5.0
147.08037	3.6
149.05952	2.9
149.09525	3.4
151.03902	4.9
153.07037	5.6
154.07761	7.7
155.07312	2.9
155.08502	12.5
157.06520	4.5
157.10202	4.3
159.07974	15.4
159.11691	6.2
161.05975	6.3
161.09555	4.9
169.05132	3.1
169.06586	6.4
169.10114	22.5
170.07263	4.3
171.08067	8.8
171.11627	5.2
173.09599	13.4
175.11148	4.1
179.08609	10.3
179.10709	5.5
182.07237	4.8
183.08093	13.7
185.09608	10.5
187.07503	5.2
187.11168	6.3
197.09593	53.1
199.11169	15.6
201.09088	6.6
204.97896	2.7
207.08104	3.2
211.11203	5.6
215.10623	14.4
225.09071	36.0
227.10608	19.4
229.08473	4.3
235.33749	3.2
239.14366	4.3
243.10143	39.1
245.11868	3.6
253.08751	3.9
253.15878	7.9
261.11154	3.3
271.09686	9.5
271.16931	14.7
281.15363	13.2
283.17108	3.4
289.10718	13.4
299.16388	100.0
301.17914	13.7
317.17447	36.3
327.15802	16.7
340.18845	4.5
345.16824	15.7
362.32800	9.1
363.17972	13.3
363.32996	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	363.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49459	1.0
58.03066	0.9
80.56441	1.2
85.02904	1.5
91.05471	3.3
93.07053	5.3
95.04986	2.6
95.86076	1.0
98.33921	1.1
103.05516	2.3
107.04967	1.7
109.58952	1.2
121.06497	100.0
122.06044	1.9
123.06338	2.2
137.05968	2.5
141.03690	1.1
145.84203	1.1
150.05530	2.3
151.05913	2.9
182.08237	2.5
182.11754	43.5
183.08557	2.7
278.11566	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2527
Annotation	Maesanin
Peak:m/z	Relative Intensity
50.62253	1.0
53.69893	1.0
54.28032	0.8
55.05499	5.5
57.07061	4.0
62.27423	1.1
65.03934	7.9
67.05496	1.5
69.07055	6.2
71.08617	1.5
74.64993	1.1
78.04343	1.1
81.07060	2.8
83.08600	4.7
93.03388	4.7
95.08626	1.9
97.10139	1.7
107.04940	4.4
107.46983	1.3
119.74871	1.1
121.02871	29.7
121.06512	2.1
123.04417	8.0
138.10010	1.2
149.02316	19.4
149.05968	5.8
161.06003	4.1
163.07576	4.4
167.03381	100.0
175.07512	3.0
177.05447	7.3
177.08986	1.8
184.06047	1.9
184.58247	1.4
187.07559	2.1
189.09142	2.5
190.04997	1.6
191.06952	2.3
201.09096	1.7
203.14616	1.2
214.14458	1.2
327.23102	2.0
345.24359	7.4
363.25266	12.3
364.31400	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	363.2527
Annotation	Cespihypotin Q
Peak:m/z	Relative Intensity
55.05495	17.7
56.31670	5.2
56.56188	5.3
57.07071	100.0
67.05495	24.3
69.07051	13.4
81.07058	13.5
91.52483	5.3
95.08597	14.1
105.07011	6.3
107.04974	22.8
109.10168	18.6
127.11198	28.4
133.06482	54.0
135.04463	10.4
141.43011	5.9
145.06494	51.6
147.08018	15.1
151.01709	7.9
151.03911	9.2
155.67319	6.2
157.06453	37.1
157.10115	8.3
159.08029	15.8
161.05952	8.0
173.09665	10.3
179.03603	6.0
185.09608	37.1
201.12766	15.5
219.14021	9.0
223.05951	7.7
314.16129	6.7
337.60742	7.8
345.24213	86.6
363.25189	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	363.2529
Annotation	Aglatomin B
Peak:m/z	Relative Intensity
51.36324	4.5
55.05499	37.1
57.03425	15.2
57.07058	17.8
58.87559	4.3
63.32620	4.1
64.39005	4.6
65.03882	4.6
65.83453	5.3
67.05170	9.7
67.05495	96.9
69.07070	38.2
69.12413	5.3
71.08611	10.0
77.76058	5.2
79.05479	21.5
81.07048	100.0
83.08615	30.0
85.06544	8.6
85.10139	7.0
91.05462	21.5
93.07030	35.9
95.04937	5.9
95.08598	63.8
97.10134	11.9
100.68719	5.0
105.07024	31.1
107.04957	43.6
107.08611	22.8
109.06428	6.9
109.10166	33.4
112.92257	5.2
117.07010	11.4
119.08582	11.7
121.06525	6.7
121.10168	19.6
123.11726	7.9
129.05464	9.2
131.08542	9.5
133.06462	39.2
133.10095	7.5
135.04465	7.1
135.11697	11.4
145.06497	35.9
145.10071	10.4
147.08054	32.2
149.13251	7.4
149.17123	6.6
151.03903	87.4
157.27946	5.4
159.07980	13.2
159.11731	6.5
161.05943	9.9
179.07027	14.1
249.15068	5.9
271.24298	12.2
309.22092	6.7
327.23151	19.9
345.24237	29.4
363.24960	7.4
363.28970	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	21.3
57.03413	10.4
57.07064	16.8
67.05492	78.3
69.07066	39.7
71.04967	7.0
71.08609	6.0
79.05489	25.4
81.06585	8.4
81.07047	85.5
83.08616	19.6
85.06514	5.3
87.03278	3.9
91.05488	14.1
91.70942	8.6
93.07066	24.1
95.08595	66.4
97.10162	13.5
105.07039	19.1
107.04955	39.7
107.08576	12.1
109.10154	25.2
111.11779	6.8
115.16169	4.5
117.07052	6.6
119.08573	9.2
121.06493	7.4
121.10148	19.4
123.11703	11.4
129.05475	5.9
131.08562	20.5
133.06480	35.7
133.10173	5.5
135.04427	11.3
135.11717	10.4
145.06503	20.2
145.10139	10.4
147.08052	40.4
151.03886	100.0
159.08095	14.7
159.11748	7.1
161.05952	14.2
161.09691	11.4
171.08040	8.7
172.42081	5.5
173.09647	6.8
173.13290	4.6
175.07584	5.7
179.07063	7.9
191.07150	8.0
309.22113	19.9
327.23068	31.1
345.24017	25.4
363.28967	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	363.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06722	2.4
55.05507	35.9
57.03440	9.3
57.07079	10.6
57.55316	2.1
67.05497	59.2
67.05826	3.1
69.07057	64.6
71.04995	6.1
71.08636	3.1
77.54967	2.5
79.05487	18.5
80.28093	2.4
81.07049	70.7
82.70349	2.4
83.04990	4.7
83.08607	42.3
83.09058	4.2
85.06548	3.4
91.05484	15.5
93.07033	25.6
94.06602	3.4
95.08601	62.3
97.06540	14.3
97.10178	29.8
99.08124	6.2
105.07018	16.4
107.07354	4.2
107.08585	18.7
109.06533	3.2
109.10152	27.0
109.35265	2.9
111.08039	2.9
111.11758	8.9
113.09631	3.7
119.08618	13.4
121.10158	23.2
122.06061	12.9
122.08887	3.9
122.09710	13.6
123.11760	8.9
125.09653	5.0
128.77959	3.0
129.08247	3.3
129.71118	2.9
133.10117	17.2
135.11665	24.1
136.07622	7.9
137.07889	3.0
137.09679	5.9
137.13309	8.1
139.11217	5.7
147.11739	11.4
149.13345	4.1
150.09125	17.5
151.09734	3.1
151.11191	4.5
151.14803	2.9
161.13324	9.9
164.07117	6.0
165.12828	3.6
206.02605	3.4
215.53934	3.2
217.19556	18.9
235.20580	14.4
253.21732	9.0
265.49542	3.2
277.56393	3.5
309.24213	5.8
327.25269	100.0
345.26569	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	363.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00482	2.8
50.22244	2.6
55.05290	3.2
55.05505	36.3
57.03428	7.1
57.07065	7.3
60.45263	2.5
67.05173	4.8
67.05494	56.9
67.11198	2.7
67.64426	2.8
69.07055	58.2
71.04971	4.0
72.29771	2.7
73.54412	2.9
79.05479	16.7
81.07050	69.8
83.04979	3.1
83.08607	36.9
85.06516	3.6
91.05486	25.3
93.07034	27.0
93.39438	2.9
94.06549	4.2
95.08593	58.9
97.06525	11.9
97.10152	33.0
99.08085	3.5
105.07014	13.0
107.07363	5.1
107.08585	17.7
109.10155	29.6
111.08086	3.5
111.11739	10.6
119.08572	12.1
121.10130	25.5
122.06016	9.9
122.09669	13.3
123.11707	10.5
129.09229	3.2
133.10118	17.3
135.11694	21.2
136.07626	5.8
147.11694	9.6
149.13237	3.6
150.09088	17.8
151.14792	3.9
152.10689	4.8
153.12779	3.6
161.13268	10.7
164.07208	3.3
165.12701	5.5
175.14880	5.8
193.19499	4.5
217.19539	14.3
220.40359	4.0
235.20482	16.3
244.12244	3.9
253.21600	9.8
269.24716	3.8
327.25278	100.0
345.26328	11.6
347.30597	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	363.289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.8
55.05518	32.1
56.96554	17.6
57.03424	26.5
57.07059	14.6
65.03918	7.3
67.05495	87.3
69.00475	4.3
69.07060	28.1
76.00517	5.8
79.05466	33.6
81.07053	100.0
83.08595	9.9
91.05469	34.2
91.96642	4.9
93.07033	48.4
95.04975	7.2
95.08599	68.3
97.02855	5.8
97.06509	16.7
105.07027	23.4
107.08577	25.6
109.06465	6.1
109.10151	23.3
119.08579	18.6
119.26280	5.1
121.10144	35.9
123.11711	10.2
129.05481	28.0
129.06976	6.1
130.21294	5.6
131.08510	13.5
135.04401	43.0
135.11713	16.7
136.04710	6.5
147.11699	6.9
153.41389	6.2
159.11739	8.9
167.39845	6.2
173.13185	7.9
277.82291	8.0
335.27133	6.3
339.59863	8.6
363.28903	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	15.1
55.05488	21.2
57.03416	18.5
57.07072	89.1
60.53373	8.0
61.32830	7.7
67.05492	100.0
67.47861	8.3
69.07050	23.7
71.08624	65.6
77.74429	10.5
79.05469	35.3
81.03388	13.9
81.07035	86.7
83.08596	12.5
85.10155	37.8
89.06025	62.6
91.05459	29.9
93.07036	45.0
95.08598	64.6
105.07024	23.8
107.08567	30.2
109.10142	31.5
119.08651	10.9
121.10132	61.7
129.05467	30.4
130.08620	13.4
131.08589	13.2
133.08582	23.5
133.10103	22.8
135.11668	27.1
143.87115	9.9
145.10098	13.7
155.85172	11.5
159.11661	18.3
173.13255	12.4
185.80351	11.2
195.12335	30.6
247.24197	10.2
271.24136	39.6
308.33414	10.5
363.28693	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62243	1.9
55.01873	2.7
55.05495	7.0
57.03421	6.5
57.07051	11.5
57.25465	2.1
62.84838	1.9
67.05499	25.8
69.07038	9.1
71.08627	3.8
73.02892	3.3
74.11381	2.2
79.05477	6.3
80.60274	2.6
81.07050	17.8
83.08584	4.6
85.06529	6.9
91.05442	9.1
93.07011	9.9
93.91201	2.7
95.08591	21.7
97.06516	3.5
105.00067	2.6
105.06997	5.9
107.04955	16.0
107.08573	7.2
109.10143	6.3
112.42258	2.3
113.09647	7.0
119.08556	4.0
121.10113	7.8
123.08084	2.7
129.05447	5.1
131.08575	3.2
135.11690	5.7
149.13327	3.0
182.53778	2.8
294.58160	3.3
305.24594	6.9
345.27655	4.5
363.28662	100.0
363.33209	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56979	3.7
52.97915	3.8
55.01855	11.4
55.05503	36.1
57.03426	24.4
57.07060	19.7
66.64233	4.4
67.05496	98.7
69.07061	44.3
71.04941	5.0
71.08624	6.7
79.05480	33.1
81.07048	100.0
83.04974	5.7
83.08614	19.1
85.10184	7.3
85.55607	4.2
91.05466	38.3
93.07030	59.3
95.04971	5.8
95.08600	96.3
97.06519	9.1
97.10175	11.3
105.07030	17.6
107.04946	40.9
107.08574	23.9
107.89497	4.8
109.10165	23.5
119.08594	18.2
121.06509	9.5
121.10175	30.8
123.11724	11.3
129.05482	19.4
131.08574	18.1
133.06487	30.6
133.10156	13.4
135.04469	6.0
135.08113	5.1
135.11696	22.7
145.06491	14.6
145.10152	15.0
147.08023	24.4
147.11655	5.5
149.13213	6.7
151.03899	46.4
159.11703	9.3
161.05859	7.0
162.65140	4.9
163.14784	6.6
171.08113	5.9
173.13219	9.3
179.07140	5.3
182.18097	5.0
192.54352	5.1
201.95970	6.0
271.24219	17.9
278.03610	5.6
327.23083	12.9
345.24207	14.6
363.28870	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2892
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
55.01853	13.3
55.05511	18.0
57.03416	14.1
57.07055	9.7
57.24173	5.9
67.05501	93.2
68.45673	6.9
69.07042	31.6
71.08620	39.2
79.05480	30.0
81.07047	80.2
83.08604	26.2
91.05487	23.6
93.07043	40.3
95.04989	9.8
95.08585	62.3
99.08085	24.9
104.99319	9.9
105.07024	15.5
107.04932	78.2
107.08578	18.5
109.10155	27.1
114.99623	6.6
117.07053	8.3
117.55408	8.0
119.08547	9.6
121.10129	16.7
123.04438	13.0
123.11692	14.2
127.11144	8.6
128.16942	8.0
129.05469	20.0
131.08565	18.3
133.06407	8.4
133.10089	9.4
133.50728	7.6
135.11713	15.5
138.74692	8.6
147.08041	16.1
187.14882	11.7
203.12888	8.4
216.09296	9.1
271.24084	13.2
345.27802	23.7
363.28815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01382	3.7
55.05505	27.6
56.50966	3.9
57.07077	11.2
57.23350	4.1
58.83234	4.0
67.05500	91.3
69.07063	37.5
71.08650	10.7
79.05485	24.4
81.03397	4.7
81.07049	100.0
83.08630	18.7
91.05486	28.5
93.07057	34.5
95.04959	47.4
95.08602	86.3
97.06587	6.8
97.10165	9.8
97.12122	6.1
102.52516	4.6
105.07073	21.6
107.04948	78.6
107.05570	7.1
107.08608	22.9
109.10143	53.0
113.05994	6.0
117.07057	14.2
119.08610	11.0
121.06551	19.7
121.10192	19.2
123.11752	15.3
131.08601	14.3
133.06511	28.2
133.10149	12.1
135.11739	20.6
137.13304	14.8
145.10159	13.9
147.08046	28.3
147.11687	7.0
151.07593	12.0
157.10168	6.4
163.14865	6.7
173.13210	6.6
183.34296	5.3
187.14899	7.3
203.14453	5.7
237.42468	5.0
267.07407	5.6
267.27075	5.7
287.23624	6.8
309.25861	5.7
327.27020	15.3
345.24118	5.9
345.28018	20.8
353.05392	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	363.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99255	4.7
55.05506	4.4
57.03399	3.4
57.06800	7.0
57.07067	100.0
58.89742	3.7
66.93147	4.2
67.05492	12.5
69.07068	10.9
71.08616	73.7
81.07053	21.4
84.02467	4.8
85.10172	32.5
89.06020	74.2
93.07020	8.4
95.08588	7.3
121.10088	6.6
130.08647	13.4
133.08585	40.2
135.04445	8.0
151.09575	5.3
187.07599	6.2
187.99222	6.3
195.12274	32.9
250.11368	5.5
363.29117	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	363.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44508	13.9
55.05518	12.1
57.07070	75.0
65.65026	10.8
67.05492	14.4
71.08625	72.4
71.37831	9.8
81.07056	15.1
85.10191	28.7
85.98050	11.2
89.06020	100.0
95.08572	15.2
113.94041	11.5
120.71673	11.5
130.08606	19.9
133.08636	35.7
151.49237	12.2
195.12215	34.7
216.25879	13.8
235.78746	12.6
261.84903	12.7
327.30490	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	364.096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03463	1.4
60.08142	3.2
67.04230	3.2
77.88815	1.1
81.40529	1.0
85.02871	1.1
91.71021	2.9
93.04520	2.0
93.77561	1.1
95.06087	5.3
107.01311	2.0
110.99009	2.5
125.01662	2.0
126.02496	4.5
129.02094	1.4
137.02325	10.8
138.98488	5.3
139.05035	3.7
166.97983	3.3
168.99518	9.7
177.04840	3.7
180.53117	1.2
205.04352	4.7
228.05266	1.8
234.02264	1.3
249.03250	2.9
259.01660	1.6
261.03265	100.0
277.02731	1.9
320.10605	39.9
343.85373	1.7
364.09537	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	364.114
Annotation	Rufloxacin
Peak:m/z	Relative Intensity
53.03938	2.7
56.05021	2.2
56.96541	1.5
57.03434	10.3
61.02911	3.6
69.03421	22.9
69.61919	1.8
70.06586	21.6
71.01349	3.4
71.04974	4.7
72.08123	1.7
74.06059	4.4
75.04459	5.4
81.03400	4.1
84.04492	3.1
84.08132	3.8
85.41431	1.7
86.09683	4.4
88.04031	1.5
91.71074	2.1
96.32893	1.8
99.04419	7.1
109.06436	1.6
116.06372	2.0
116.07104	22.9
120.08101	25.5
132.04453	14.6
136.07516	2.0
140.78221	2.1
157.03987	2.1
176.10690	9.8
187.05034	35.2
193.46004	1.7
205.06084	8.2
213.02963	4.8
216.96808	2.1
221.12846	4.4
226.98518	2.0
227.56171	2.1
230.05606	70.5
230.07893	4.1
249.12401	3.4
346.10449	3.7
364.11371	100.0
364.26648	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	364.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19546	1.1
60.49368	1.1
61.02909	2.0
67.57027	1.1
69.03409	2.7
79.05488	1.6
81.03427	2.0
85.02893	18.5
91.05440	2.0
93.07040	3.4
95.04958	1.5
97.02887	3.6
103.05455	1.3
107.04939	14.0
109.02845	1.5
121.06497	5.1
127.03932	2.7
133.80318	1.4
135.04401	17.1
139.03928	6.1
145.04941	3.2
149.05962	2.5
152.04665	7.0
167.07016	100.0
185.04526	2.9
185.08067	47.4
333.12741	1.8
382.25961	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	364.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.9
55.05507	3.8
57.03440	6.2
60.04529	9.8
61.02914	4.4
67.05507	5.4
69.03421	18.2
70.06604	8.8
72.08166	5.4
81.03437	7.6
81.07062	6.8
84.04512	4.3
85.02895	65.7
85.65382	2.0
86.09717	3.9
91.05499	4.7
93.07060	7.6
95.04973	2.4
95.08632	5.1
97.02911	9.5
99.04492	5.8
101.02354	2.1
103.03968	4.2
109.02895	4.8
116.07067	2.4
121.06535	10.6
125.02341	32.8
125.06026	2.3
125.48724	2.2
127.03915	25.6
128.26472	2.3
139.03943	3.0
145.04941	14.9
149.06036	8.4
163.06009	27.4
167.07027	100.0
180.08736	8.1
185.08173	5.2
204.08728	4.5
213.14096	2.3
245.91074	2.6
249.10524	2.7
331.68484	2.5
346.25952	3.5
364.27029	6.1
375.72162	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	364.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59026	1.4
53.46682	1.2
54.84235	1.5
55.05480	2.4
57.07067	1.8
67.05492	2.4
69.03407	6.0
69.07050	4.0
71.04977	3.2
79.05462	3.7
81.07034	8.9
81.29462	2.0
83.04996	1.5
85.02888	4.8
85.06532	27.9
91.05463	1.8
93.07030	14.0
95.08577	6.5
97.02874	28.8
97.06526	16.4
105.07026	5.1
107.04953	3.6
107.08588	8.8
109.06495	3.3
109.10157	4.4
111.04434	3.2
113.06030	1.7
121.06533	2.9
121.10143	19.8
123.08025	7.8
123.11679	5.0
131.08578	6.3
133.10170	2.0
137.09666	2.0
139.11179	6.9
149.09608	19.6
151.11166	6.2
167.10660	100.0
185.11708	45.6
266.94138	1.7
290.57339	1.9
295.00311	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	364.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72520	1.1
53.03929	1.3
55.47217	1.1
57.07059	1.5
59.04981	2.3
67.05494	3.7
69.03407	4.4
69.07071	1.8
72.97178	1.3
73.02918	1.9
79.05097	1.4
79.05468	8.3
81.07047	30.2
85.02893	5.5
91.05447	2.5
93.07038	13.6
95.04948	2.1
95.08596	17.4
97.02872	2.1
99.04426	1.7
105.07027	6.3
107.08595	6.0
119.08611	1.8
121.10134	100.0
123.08089	2.0
123.11704	22.5
125.05962	7.0
127.03870	1.4
136.80800	1.3
139.11166	13.9
145.05022	1.8
149.09601	8.2
167.10658	41.6
173.54391	1.3
173.57414	1.4
190.20363	1.5
200.25250	1.5
203.46965	1.6
323.11035	2.7
342.12405	1.6
364.13547	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	364.2691
Annotation	Broussonetine S
Peak:m/z	Relative Intensity
52.58836	2.7
55.05500	8.0
56.05024	3.4
60.04518	100.0
66.75741	2.8
67.05494	31.1
69.07035	6.1
70.06582	12.9
70.29056	4.3
72.08152	8.1
77.91830	3.7
79.05492	17.8
81.07053	30.0
82.06561	6.8
83.04978	3.2
84.40149	3.7
91.05493	23.9
93.07043	23.5
95.04984	4.1
95.08601	28.1
96.08107	3.7
97.06517	3.7
105.07018	13.2
107.08577	17.2
109.10144	8.2
119.08598	10.5
120.08094	24.0
121.10142	11.4
131.08589	6.9
133.10167	10.7
135.11684	9.6
145.10126	4.2
145.87231	4.3
219.14848	7.2
226.47038	3.9
271.84906	3.8
278.08575	4.4
310.23886	13.1
328.24924	23.0
346.25800	40.6
364.26877	90.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.269
Annotation	Broussonetine S
Peak:m/z	Relative Intensity
55.05502	6.2
56.05027	9.0
58.48962	2.5
58.92260	2.7
60.04521	100.0
67.05498	21.5
69.07043	4.6
70.06585	13.8
71.04992	5.4
74.06069	3.0
79.05482	19.7
81.07056	25.6
83.08626	5.5
84.04488	3.4
86.09683	3.1
91.05009	3.2
91.05490	23.5
93.07040	23.9
95.04941	3.4
95.08603	20.9
96.08160	3.6
97.06542	4.2
97.07135	3.3
105.07025	15.6
107.04953	2.9
107.08612	16.8
109.10146	4.7
114.41223	3.9
119.08581	10.4
121.10151	15.8
123.98970	3.0
131.08614	6.0
133.09155	3.7
133.10153	9.9
135.11690	7.6
145.10196	4.1
147.11641	5.2
167.10628	3.9
181.12352	3.8
189.15050	4.7
275.20096	5.2
292.22791	10.4
310.23846	19.9
328.24780	26.5
342.25372	4.5
346.25772	41.3
364.26956	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.8
56.05024	7.2
60.04517	100.0
67.05487	34.7
69.07059	3.6
70.06598	12.9
71.10220	3.2
72.08157	11.8
74.83195	2.9
79.05489	16.8
81.07053	33.5
84.08152	3.3
91.05468	24.8
93.07036	27.9
95.04969	4.5
95.08589	22.7
96.08136	7.1
105.07059	12.8
107.08598	17.2
109.10183	8.2
117.07085	3.4
119.08595	10.3
120.08088	27.3
121.10182	13.6
123.08079	4.2
131.08504	4.0
133.10170	8.0
135.11694	8.4
145.10161	10.4
147.11702	6.6
173.13206	4.5
185.04256	4.9
188.71487	3.7
203.03133	33.2
203.04971	4.3
232.41190	3.8
235.19923	4.0
239.15584	4.3
292.22742	8.8
304.78369	4.4
310.23889	9.9
328.24893	21.3
346.25830	43.9
364.26926	84.8
365.08771	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	364.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	4.4
55.05512	33.4
57.07081	4.9
60.08161	4.3
67.05495	92.2
69.07058	37.2
73.02898	6.1
79.05500	33.7
81.07047	77.7
83.08605	8.2
91.05488	16.3
91.71647	9.4
93.07041	58.4
95.04954	11.1
95.08606	52.9
99.04443	5.6
101.00066	4.8
105.07003	11.8
107.08582	31.5
109.06511	5.2
109.10163	11.7
110.19363	4.4
115.45697	4.8
119.08592	5.5
121.10153	16.1
135.11702	9.1
145.10124	4.7
149.13206	5.5
161.13322	5.3
161.32553	5.6
182.87119	4.9
305.24637	70.1
316.51389	5.9
364.32025	100.0
372.96597	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	365.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16875	11.1
56.96552	36.1
70.06592	33.0
84.04446	13.5
84.08170	12.7
85.10233	11.5
86.09679	33.0
87.05505	13.2
98.97559	47.1
116.98660	25.5
117.07025	33.9
123.04406	17.0
140.00191	15.1
151.03897	30.0
152.00092	16.5
161.01311	15.9
239.02264	18.3
240.48643	15.5
262.70764	16.7
283.05774	22.3
303.08633	25.4
365.05826	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39520	1.6
51.61105	1.8
52.05854	1.8
52.53903	1.8
53.57298	1.8
54.16019	2.0
55.05499	4.4
56.05021	4.8
59.19077	2.0
60.04243	4.2
60.04524	64.3
60.34430	1.8
67.05495	18.2
67.44858	2.2
69.03442	2.7
69.07043	2.2
70.06586	8.9
72.08147	5.6
79.05490	14.2
81.07053	23.1
82.06594	2.5
83.04927	2.5
83.08570	2.4
84.08120	3.1
84.60780	2.2
91.05482	18.5
93.07031	16.4
95.04955	3.0
95.08584	14.8
101.14352	2.6
105.07031	9.3
107.08596	11.4
109.10117	4.3
119.08578	6.7
120.08121	7.6
121.10148	6.8
127.39804	2.2
131.08554	3.5
133.10115	6.1
135.11658	3.9
135.89616	2.8
147.11607	2.8
185.04242	10.8
203.03165	100.0
203.05190	9.3
244.05867	7.3
250.23994	3.4
292.22717	4.5
310.23798	3.5
311.23932	3.1
328.24838	11.9
329.25223	6.3
338.17441	2.8
346.25891	25.6
347.26361	9.5
364.26862	48.4
365.08011	26.3
365.27350	14.7
379.64697	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07177	2.6
55.33245	2.5
64.03433	3.0
69.69665	3.1
79.01591	3.1
85.60328	3.2
88.38698	3.2
90.03721	3.4
100.98498	3.2
112.02222	3.4
138.41013	3.3
142.59691	3.9
185.04189	18.9
203.05222	50.8
250.14127	4.0
315.57037	4.0
365.10709	100.0
371.80344	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	365.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67070	2.0
64.67535	2.4
70.06558	2.9
70.70749	2.1
73.34231	2.4
73.93021	2.3
85.38203	2.9
89.63821	2.5
93.13454	2.6
97.29555	2.9
107.04914	5.9
108.05257	4.4
109.21056	2.8
110.72672	2.9
114.57735	2.7
116.04350	2.7
136.79332	2.6
138.45609	2.5
150.77461	2.8
151.76711	2.6
166.47470	2.9
185.04153	22.1
203.05260	51.8
244.07848	3.8
306.87259	3.7
365.10471	100.0
369.96530	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	365.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
72.63667	2.4
76.29162	2.5
86.69591	2.8
107.04951	12.6
108.05273	5.9
111.88976	3.4
119.95990	2.6
131.83067	3.1
149.05943	6.7
150.06364	4.3
184.64017	3.2
185.04228	22.8
201.31172	3.3
203.05260	47.5
236.24567	2.7
244.07938	3.8
253.59286	3.4
312.06979	3.1
313.58896	3.7
338.38095	3.1
365.10498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78001	2.1
61.10532	2.8
62.60102	2.1
65.82552	2.4
69.07062	2.5
72.42102	2.1
80.98647	2.8
96.86758	2.7
107.04894	2.7
110.24849	2.9
135.32396	2.9
141.09293	3.4
145.10962	2.9
198.17476	3.1
239.35846	3.0
365.11987	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62826	5.1
55.05497	5.7
56.96560	6.9
60.75733	5.0
64.99247	5.2
67.05491	11.2
67.45064	7.3
69.03407	8.8
79.05480	9.2
81.03385	9.1
81.07027	10.0
91.05478	20.1
105.07025	15.7
107.04974	8.0
108.40178	6.0
110.92801	6.6
113.02287	5.3
117.06998	8.6
119.04952	20.4
128.06241	7.7
129.06961	8.1
131.08592	16.1
133.06516	10.6
135.04456	6.7
145.06528	13.4
147.08049	6.9
149.71468	6.4
161.09668	6.2
171.08066	10.8
173.05988	6.9
187.11229	8.1
189.09119	100.0
189.10773	8.5
215.10818	13.6
217.12233	12.5
233.11757	9.3
236.06610	7.0
243.10220	17.0
261.11206	57.4
279.12250	55.4
321.13251	9.9
347.11017	10.4
365.12158	45.0
365.19357	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	365.127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	100.0
79.59412	13.1
82.05600	11.3
84.94773	10.7
97.99190	18.4
98.89949	11.9
111.88385	11.9
113.05615	13.0
128.37070	11.7
145.01736	18.2
159.29169	14.3
210.79057	14.1
217.69824	12.3
253.07384	22.3
271.08652	17.9
276.09079	50.2
294.10196	16.8
346.13245	24.2
360.07608	15.6
364.33289	35.0
365.12772	19.8
369.15210	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	365.127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36024	14.3
56.44816	15.4
56.96564	100.0
56.96791	15.7
57.95568	14.2
64.78343	15.3
71.64639	18.2
81.07056	18.4
84.96027	17.6
85.90335	16.8
91.66855	18.0
98.97568	27.3
102.70015	17.1
104.00692	18.9
116.98647	27.9
127.00758	19.0
137.05949	22.0
140.00197	37.4
143.77393	19.2
158.01337	42.7
181.02847	38.3
247.34782	21.3
275.09488	24.4
302.79672	22.7
305.10583	30.7
310.42908	20.0
316.12219	26.8
328.12274	49.5
346.13199	65.7
365.12759	84.0
365.19089	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	78.8
57.07063	59.9
65.29898	52.0
65.67318	50.1
67.33413	49.1
92.06312	64.5
95.63422	47.4
108.65851	61.1
114.76379	65.3
141.69856	56.0
147.97969	62.2
152.41647	56.6
156.18953	78.0
203.14360	100.0
231.13904	64.0
245.15152	78.8
374.88062	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95702	1.5
55.32630	1.4
56.05022	6.5
58.06591	3.2
60.05644	20.5
66.60658	1.5
70.06584	37.6
73.27504	1.6
74.06064	5.6
86.03535	11.3
86.09703	13.6
86.78669	1.6
113.07079	1.9
129.10239	43.7
130.06555	4.2
131.07278	4.7
134.48708	2.0
149.92342	1.8
155.08154	16.4
155.40822	1.8
158.06017	5.6
162.05429	2.6
164.06993	8.9
190.08656	17.0
214.12930	2.4
231.11330	3.7
232.10716	3.0
258.32382	1.9
262.15500	100.0
263.13736	5.6
280.16541	28.7
341.03952	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	365.211
Annotation	Chiricanine E
Peak:m/z	Relative Intensity
55.48383	5.1
57.07071	35.1
57.59338	5.5
68.02425	5.9
77.78204	5.7
78.54909	6.4
87.96140	6.7
91.05481	11.3
93.07041	10.0
94.83595	6.2
95.04945	6.0
103.05418	7.5
104.14579	6.7
129.06171	6.9
137.05977	83.6
169.34109	7.9
187.11278	9.3
291.13754	8.0
304.93155	6.9
324.81400	7.0
365.21057	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19979	5.4
55.05518	8.2
65.37140	6.1
66.67624	5.9
67.05506	17.1
67.93053	6.3
76.00974	6.1
81.07059	10.3
83.57389	6.7
86.34142	6.7
91.05495	8.2
93.07043	10.1
95.08620	10.0
107.08619	7.4
119.08600	7.8
133.79771	6.8
171.72615	7.8
225.67715	7.4
276.85382	7.2
293.27963	6.8
299.58844	6.9
329.24899	8.2
347.26257	9.8
365.22989	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19979	5.4
55.05518	8.2
65.37140	6.1
66.67624	5.9
67.05506	17.1
67.93053	6.3
76.00974	6.1
81.07059	10.3
83.57389	6.7
86.34142	6.7
91.05495	8.2
93.07043	10.1
95.08620	10.0
107.08619	7.4
119.08600	7.8
133.79771	6.8
171.72615	7.8
225.67715	7.4
276.85382	7.2
293.27963	6.8
299.58844	6.9
329.24899	8.2
347.26257	9.8
365.22989	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15381	8.6
55.01857	16.7
55.05511	56.4
56.96553	25.1
65.03937	9.1
66.82775	7.8
67.05494	74.6
69.03411	30.3
69.07064	72.1
79.05487	35.3
81.03421	15.9
81.07069	68.3
83.08595	18.3
91.05472	39.8
91.71014	20.8
93.07030	42.9
95.04960	29.4
95.08582	31.3
97.02884	29.7
97.10165	22.0
98.97572	11.0
105.07042	26.0
107.04980	11.6
107.08613	26.7
109.10185	21.9
111.08118	12.8
119.08614	17.6
121.10117	13.0
123.08018	13.3
125.09647	12.9
127.07658	10.1
133.10124	28.1
135.08047	12.3
138.92720	10.2
147.08061	13.0
158.53867	11.0
172.02852	12.5
189.11542	12.3
190.35313	11.3
201.18788	10.9
223.13342	32.8
228.79773	10.5
235.26653	10.9
250.06061	11.4
291.19485	100.0
365.23380	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2685
Annotation	6-Acetylandalusol
Peak:m/z	Relative Intensity
50.22753	2.3
54.00703	2.5
55.01868	5.7
55.05508	20.4
57.07074	5.8
57.50366	2.5
59.18559	2.4
60.61924	2.0
67.05495	35.2
69.07060	25.8
70.08216	2.5
71.64987	2.8
79.05501	11.8
81.07046	32.2
83.08624	10.1
89.24517	2.7
91.05457	20.1
91.71535	4.4
93.07037	19.7
95.04987	8.0
95.08603	28.3
95.09042	2.4
97.02917	3.8
105.07020	13.8
107.04962	12.2
107.08585	14.3
109.10201	9.1
117.07048	10.6
119.08610	9.5
121.06528	4.9
121.10139	5.8
129.07076	6.1
131.08638	11.0
133.06514	5.0
133.10150	6.3
135.08121	7.3
135.11691	5.9
141.07001	3.6
143.08575	5.0
145.06445	3.0
145.10147	6.6
147.08127	11.5
149.13336	4.2
157.05013	5.7
157.10176	5.7
157.26346	3.1
159.08069	6.6
161.09564	4.2
163.07561	5.1
165.09120	3.2
171.11694	5.7
175.11302	3.0
181.10175	3.9
185.09677	3.3
185.13365	4.0
187.11264	4.0
193.12097	3.0
199.11284	4.6
201.12811	3.0
229.15909	3.0
235.13170	3.9
311.23685	8.8
329.24716	23.2
347.25787	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2685
Annotation	Austroinulin 6-O-acetate
Peak:m/z	Relative Intensity
50.52518	6.0
54.20808	5.7
55.01844	5.9
55.05503	49.2
57.03432	5.1
57.07071	9.9
61.81221	5.1
67.05491	81.1
68.97050	5.9
68.99810	16.1
69.07059	61.9
71.08602	8.9
71.15621	5.7
79.05479	12.1
81.07043	100.0
83.08608	49.1
87.21712	5.6
91.05472	26.4
91.71017	15.0
93.07036	24.6
95.04979	10.7
95.08593	92.9
97.02868	9.5
97.06497	8.9
97.10168	21.6
105.07029	10.1
107.08564	6.3
109.06477	8.1
109.10171	46.2
109.30912	6.6
111.04469	10.2
111.11743	8.6
119.08569	8.9
121.10135	7.2
123.08090	6.8
123.11721	17.7
129.01796	36.6
133.10107	13.6
135.11661	9.1
137.13336	7.1
147.11610	8.0
163.14912	8.1
174.09669	8.2
179.10863	6.2
245.22554	14.6
263.23773	10.1
268.25467	8.6
285.53311	7.3
305.24817	19.1
342.16754	7.7
365.26773	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	365.3048
Annotation	Isomahubanolide 23
Peak:m/z	Relative Intensity
53.03941	2.1
55.01866	2.4
55.05505	25.7
55.05749	2.5
57.03427	2.3
57.07066	11.8
65.03938	2.4
67.05493	41.0
67.05827	2.8
69.07059	42.7
69.07415	3.4
71.04991	3.3
71.08617	8.7
79.05482	12.9
81.07043	37.8
83.04996	1.6
83.08609	29.8
83.09050	1.7
85.10207	4.8
91.05466	14.4
93.07040	12.2
95.04961	51.9
95.08602	32.4
95.09152	2.5
95.11660	1.5
97.06549	4.1
97.10162	19.8
105.07015	17.1
107.04947	100.0
107.08561	7.6
108.05341	1.8
109.06536	3.9
109.10130	16.0
111.04465	2.6
111.08117	1.5
111.11749	6.1
113.06042	3.0
117.07048	4.7
119.08577	11.8
121.06512	11.2
121.10155	7.7
123.04412	8.7
123.08131	3.3
123.11739	3.6
123.68526	1.6
125.06121	1.7
131.08623	5.3
133.06477	27.2
133.10069	8.2
135.08086	2.6
135.11748	6.3
137.06013	3.1
137.13297	2.8
139.07521	2.4
141.05550	1.9
145.10155	3.3
147.08046	24.8
147.11743	5.0
151.07541	8.4
159.11717	3.0
161.09657	5.2
161.13275	2.9
171.11736	1.7
173.13022	1.5
175.11180	2.9
175.14908	2.0
183.21649	1.5
189.12831	1.6
235.24319	2.3
238.87408	1.6
271.24225	3.8
289.25427	3.7
303.79745	1.7
309.88126	1.8
311.27490	3.4
319.29996	3.7
329.28439	6.6
347.29404	23.3
365.30582	3.9
375.22400	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	35.6
57.07068	8.6
67.05499	70.0
68.19104	7.0
69.07062	52.2
72.27790	7.0
77.44844	7.2
79.05482	30.4
80.70098	6.3
81.07044	87.7
83.08611	34.7
91.05470	28.8
93.07023	32.0
94.17036	7.8
95.04952	22.7
95.08580	60.9
97.06515	13.0
97.10181	13.5
105.07012	16.3
107.04950	100.0
107.08580	23.7
109.06459	13.0
109.10151	28.3
109.96719	8.8
117.07032	10.0
119.08529	15.9
121.06520	17.9
121.10155	18.1
122.31756	7.4
131.08604	10.2
133.06520	37.2
133.10139	13.6
145.10179	10.7
147.08060	77.1
147.11620	7.8
203.37166	10.1
235.68205	9.1
313.18686	8.3
329.28448	26.6
347.29364	25.7
351.77817	7.6
380.27380	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	366.195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	100.0
66.21417	31.1
70.23829	39.6
74.01156	37.5
79.70256	29.5
85.36709	38.7
91.71674	70.5
131.66245	35.1
133.28979	39.4
194.85645	37.8
195.50406	39.9
197.41515	37.5
217.30278	42.3
315.24292	40.6
348.18558	65.9
366.19687	62.3
377.87552	45.8
384.20630	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	366.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67974	1.4
55.05504	5.0
56.05026	12.0
57.03414	2.3
58.06580	6.0
60.04279	1.7
60.04523	18.7
67.05482	5.9
70.06590	7.2
71.04971	3.4
71.05337	1.5
71.10360	1.8
72.08148	100.0
74.06075	38.3
78.22272	1.9
79.05493	2.3
81.07044	6.4
84.04504	8.9
84.08114	3.8
86.09718	8.8
91.05467	9.4
93.07041	5.4
95.08617	4.1
97.06535	3.3
101.07150	22.1
105.07030	1.9
107.08586	2.7
108.08028	2.3
110.09670	4.6
112.11123	2.0
117.06989	2.0
120.08099	35.1
123.11708	2.2
128.10716	25.5
129.10233	7.7
132.10211	2.2
136.07573	23.9
136.17712	2.0
138.09106	1.9
139.03882	3.4
149.26115	2.1
151.11250	2.2
166.08580	11.3
169.12268	2.7
173.12842	91.9
201.12326	38.7
207.11302	8.7
221.12822	4.2
235.11012	3.0
267.13400	7.8
269.67365	2.5
297.33307	2.1
330.26099	2.8
359.26553	2.4
366.28488	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2025
Annotation	Ser Ile Phe
Peak:m/z	Relative Intensity
60.04235	2.4
60.04517	31.4
61.03288	1.1
66.75430	1.1
70.02956	2.0
71.84158	1.2
78.36006	1.2
81.07049	2.9
85.02876	2.2
86.09698	94.8
87.05582	21.8
88.34371	1.3
93.07068	1.7
95.08608	2.1
101.34995	1.1
103.05489	2.0
115.79312	1.4
120.08099	39.5
123.11702	1.6
128.10690	13.4
154.60042	1.7
166.08635	15.4
169.12196	2.5
173.12849	100.0
176.23093	1.3
201.12334	26.9
207.11354	6.8
235.10951	2.2
382.57104	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	1.7
54.10889	1.5
55.05524	2.7
57.07080	2.8
59.04990	5.1
61.02923	1.6
62.82198	1.8
67.05497	13.2
69.03436	4.7
69.07083	4.7
71.04977	15.6
79.05509	4.1
81.03432	2.3
81.07050	44.0
83.04991	3.8
85.02894	10.7
91.05458	9.8
93.07034	20.9
95.04992	3.2
95.08604	12.7
104.00252	1.9
105.07044	13.3
107.08588	62.3
109.06550	5.0
109.10149	24.5
123.11703	38.1
133.10117	40.2
151.11176	58.8
169.12224	100.0
187.13382	6.4
220.70216	2.3
234.52214	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	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87361	1.7
55.01845	1.9
55.05479	2.4
57.03425	3.8
57.80909	1.9
58.14150	1.8
59.04981	6.7
60.22763	1.9
61.59016	1.8
67.05490	9.7
68.81232	2.4
68.84671	1.8
69.03416	7.3
69.07066	4.9
71.04976	15.4
71.24471	2.0
79.05480	2.7
81.03423	3.9
81.07047	31.8
85.02897	21.3
91.05479	6.8
93.07035	21.2
95.04966	5.6
95.08604	11.8
97.02889	4.4
105.07021	13.5
107.08588	59.8
109.06500	5.8
109.10144	25.2
112.03464	2.0
113.06009	2.7
120.68649	2.1
123.11691	36.2
133.10127	31.5
143.64604	2.6
145.04993	3.3
151.11180	60.6
169.10777	4.9
169.12221	100.0
172.14687	2.2
323.82220	2.7
331.17331	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	366.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05069	4.1
57.07065	4.8
59.04991	5.9
60.04502	4.7
65.26830	3.8
67.05487	18.6
69.03412	9.5
71.04974	22.5
76.08783	3.5
80.01315	4.1
81.07056	51.9
85.02904	29.5
85.06526	6.1
91.05476	14.5
93.07033	28.0
95.04958	6.1
95.08598	16.1
97.02885	7.2
98.84226	3.8
102.81450	4.3
105.07050	16.4
107.08588	78.2
109.06501	6.8
109.10138	31.0
123.11682	37.3
133.10129	49.3
137.05991	10.5
141.07011	4.3
151.11177	94.1
160.08423	4.6
169.12227	100.0
169.13597	8.6
305.10071	9.2
367.09891	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	3.6
55.01867	2.3
55.05516	3.0
59.04985	6.1
67.05500	12.3
67.82784	2.2
69.03436	3.8
69.07038	3.6
71.04981	18.6
75.07873	1.9
76.27647	1.9
77.33909	2.1
79.05494	5.6
81.03410	1.8
81.07046	45.1
81.07484	4.1
83.04968	3.3
85.02894	9.6
87.28699	2.2
91.05491	9.1
93.07028	17.2
95.04940	3.6
95.08596	11.7
95.13913	2.0
97.02879	2.3
103.19807	2.1
105.07004	10.6
107.08588	65.6
109.06529	4.9
109.10155	25.3
120.43517	2.1
123.08080	2.0
123.11687	36.7
133.10136	35.7
151.11180	62.5
163.60684	2.2
169.12230	100.0
187.13365	7.5
260.06390	2.4
265.47250	2.3
290.10852	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48700	3.6
55.01855	3.7
55.05503	5.2
57.38605	3.7
59.04982	18.3
63.82083	3.7
67.05492	7.0
67.41313	3.8
69.03432	8.8
71.04962	5.2
75.69254	4.5
76.18457	4.0
79.05482	6.2
79.92537	3.9
81.07037	45.5
85.02901	15.5
87.04475	10.1
91.05470	18.3
93.07034	100.0
95.04957	6.5
95.08591	5.6
105.07016	18.0
107.08578	11.7
109.06520	7.7
109.10165	14.2
111.08060	59.6
121.10066	7.9
123.11720	25.0
128.28534	4.5
133.10146	20.9
137.37915	4.9
146.23346	4.5
151.11157	41.8
169.12242	99.4
169.13602	9.1
187.13300	29.5
283.64493	5.0
288.06454	6.0
318.74335	4.7
343.38409	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	366.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84945	2.1
55.05504	4.1
55.08219	2.3
57.03416	4.0
57.07038	1.9
59.04994	4.8
67.05495	13.7
69.03403	4.3
69.07037	3.8
71.04981	17.9
75.67168	2.2
79.05466	5.8
81.07048	44.2
83.04951	3.4
85.02374	2.3
85.02889	10.5
91.05467	10.8
91.71712	3.0
93.07038	20.2
95.04971	6.2
95.08606	13.0
97.02919	4.5
97.72218	2.8
99.04410	2.9
105.07023	9.7
107.08587	58.1
109.06520	8.3
109.10124	20.4
120.92035	2.9
123.11691	37.6
133.10097	34.0
137.06018	3.6
137.93668	2.8
139.11148	3.3
147.13669	2.8
151.11179	66.2
169.12233	100.0
196.75043	2.7
245.13963	3.7
249.19237	3.1
330.03430	2.9
367.08890	2.8
367.13541	16.8
385.13864	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	366.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30737	2.8
55.24862	2.8
56.08422	2.4
59.05005	15.0
61.58267	3.4
62.02293	3.6
65.95397	2.9
67.05503	5.5
69.03435	7.2
70.67277	3.1
72.79360	3.4
79.92724	3.6
81.07045	25.6
85.02912	15.5
85.77943	3.2
87.60249	3.5
91.05455	17.0
93.07030	31.0
95.04964	4.9
105.07066	14.2
107.08585	100.0
109.06532	7.5
109.10184	9.0
118.81454	3.4
121.10201	5.0
123.08101	6.1
123.11688	27.1
127.03918	4.5
133.10120	39.0
151.11171	93.0
166.40759	3.6
169.12318	16.1
179.80661	3.7
367.07748	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	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14644	0.9
51.95607	0.9
53.03931	1.5
55.01859	2.5
55.05492	2.4
56.19701	0.9
57.03437	5.6
61.02921	9.2
67.05499	11.2
69.03087	1.9
69.03426	21.4
69.07074	1.0
71.04986	3.4
73.02892	3.2
79.05503	1.3
79.44644	1.1
81.03409	9.0
81.06596	1.8
81.07048	24.0
85.02898	100.0
87.04463	2.4
91.03941	4.1
97.02882	24.7
97.03471	1.7
98.97786	1.0
99.04439	3.9
109.02877	7.4
120.68249	1.0
123.11703	25.7
127.03911	16.6
132.20457	1.2
141.12744	28.2
145.04959	23.9
161.60219	1.1
163.06021	4.3
187.15688	1.5
219.26717	1.1
245.12936	1.3
365.11279	1.1
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
51.63164	3.1
55.53029	3.3
57.07077	11.0
62.10721	4.2
65.03951	8.1
70.06569	24.7
71.08625	4.9
73.83082	3.9
74.17749	4.2
83.29281	4.1
88.07613	27.0
102.09159	25.2
126.54109	4.8
136.94801	4.6
149.02321	99.2
193.04950	100.0
200.20053	58.6
242.54012	4.9
366.22760	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	4.3
60.04518	68.4
60.04829	3.3
63.17866	1.2
66.36797	1.3
67.05499	11.5
69.07069	3.1
79.05495	7.9
81.07046	11.6
88.03984	39.8
91.05463	6.4
93.07035	13.2
95.04973	1.8
95.08597	6.7
103.27362	1.4
105.06985	2.6
106.05022	100.0
107.08578	6.5
109.10142	2.3
118.91531	1.8
121.10114	5.1
123.11670	1.7
131.08545	2.6
133.10104	3.0
135.11723	2.7
149.13295	1.5
210.87062	1.5
261.22247	4.4
313.63907	1.9
342.02185	1.6
357.76645	1.7
366.26059	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	366.9601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68507	3.2
55.66227	3.2
151.46796	4.2
171.14622	4.6
268.98215	100.0
286.99481	4.8
318.10455	6.7
325.19818	4.6
367.10028	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	366.9601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67518	4.1
82.98529	5.7
88.93343	5.1
89.14097	6.3
100.02927	5.9
141.38115	5.8
192.98506	6.2
218.14098	6.2
234.63191	6.2
264.21576	6.4
268.98233	100.0
319.63379	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	367.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82663	10.0
56.96552	16.6
60.04509	41.8
70.02945	10.1
70.06582	27.7
75.25506	9.6
84.04478	14.8
85.02901	21.2
87.05615	14.6
99.86037	10.7
103.05522	10.2
115.05024	16.2
116.07079	32.7
116.98479	10.4
120.08085	51.1
202.08220	14.6
223.10728	14.6
227.17261	12.8
268.89813	12.4
367.04221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96582	13.3
63.17826	13.5
69.84479	13.4
81.07050	17.0
81.38159	14.6
85.02876	20.5
91.05476	16.3
93.07027	25.8
105.07042	34.5
107.08572	62.1
121.10110	27.9
133.10095	19.3
151.11189	48.2
152.11513	20.9
169.12146	25.0
170.12807	16.1
244.77655	18.1
247.09824	21.4
260.10703	20.9
305.53500	18.9
367.07877	100.0
367.12512	31.7
384.63678	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	367.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22312	2.7
67.05497	5.3
72.39453	3.4
78.45219	2.9
80.16852	3.3
81.07030	7.6
85.02923	5.0
91.05480	14.5
93.07062	9.1
94.99128	3.4
95.04966	7.0
95.08589	6.7
97.02872	12.0
105.07040	7.0
107.08586	20.2
109.06480	3.8
109.10155	11.4
119.08554	16.9
123.11736	6.5
133.10167	7.0
133.99120	3.4
147.08060	4.4
151.07307	4.8
151.11189	12.2
165.09187	7.3
169.12225	27.1
170.12560	7.1
211.09682	7.2
261.73596	4.4
302.21838	3.8
305.09973	31.8
339.74896	3.6
367.09930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21096	9.5
77.83559	8.9
81.07059	12.1
84.08118	11.5
93.80284	10.8
100.72174	9.9
129.68878	11.9
169.89278	11.1
216.15701	11.7
223.05139	10.8
263.35107	13.1
297.23581	14.0
305.09927	100.0
318.18884	13.6
349.09146	20.3
367.09958	78.6
367.13589	18.6
381.38541	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80761	2.6
56.05048	3.5
69.03396	6.0
70.06577	13.1
70.88614	3.2
72.08141	9.2
74.06073	3.7
84.04507	7.2
84.08133	7.5
85.02869	4.6
86.09686	12.7
110.07159	10.6
120.08101	6.1
136.07591	7.7
295.64865	5.3
352.31097	4.6
367.09973	100.0
367.14136	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	367.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	11.1
55.58356	1.0
57.07054	3.2
79.05482	5.1
84.31371	1.4
89.53307	1.3
91.05474	2.6
95.04951	4.9
103.05454	5.3
104.66586	1.4
105.03384	1.9
105.06989	2.6
107.04943	5.1
114.95049	1.2
115.05564	1.5
121.06509	2.7
123.04415	1.8
129.06982	2.2
130.04181	3.7
131.04916	2.2
133.06480	1.5
135.04407	100.0
137.06015	1.8
147.04401	5.8
157.06506	2.9
159.04413	21.8
160.05159	5.8
161.05997	2.2
163.03877	3.2
165.06993	2.5
178.07816	3.9
185.05962	7.6
193.10141	3.4
198.04944	1.3
202.07706	10.3
203.08559	11.8
205.06450	3.7
206.07358	2.1
207.08066	2.3
219.08009	3.1
219.39951	1.5
220.08969	1.9
221.09627	4.1
222.06766	2.0
225.09215	2.5
227.07143	3.0
231.08040	18.8
234.06734	1.7
235.07510	2.3
242.09470	2.1
243.10141	3.2
247.07584	3.1
249.09148	7.7
259.07465	16.8
263.07397	1.6
275.10382	1.7
277.08566	21.4
279.10162	2.6
289.08578	5.2
303.13724	3.0
307.09619	23.9
321.14844	2.8
331.13065	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	367.1362
Annotation	(+)-Trehazolin
Peak:m/z	Relative Intensity
51.63774	3.3
53.85232	2.0
57.10922	2.2
65.24048	2.4
88.36099	2.7
89.00645	2.5
92.83853	2.6
93.36543	2.9
116.17212	3.2
116.86384	3.1
131.00801	3.2
157.12239	3.0
208.34706	2.8
260.46356	3.8
367.13611	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17364	3.4
58.58775	3.1
67.05495	4.0
69.07043	4.0
69.31564	3.8
81.07061	4.0
91.05455	6.7
119.04931	10.6
123.11658	4.6
125.37119	3.7
135.60779	4.1
147.04398	36.9
203.08116	5.0
239.01474	3.6
367.13583	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	367.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	25.4
60.84333	6.6
70.96425	6.8
78.46063	9.1
85.80357	6.9
91.05459	11.0
98.97580	10.8
107.04927	67.5
121.06496	25.8
129.07047	10.7
131.04912	11.5
137.05954	10.7
140.22215	8.8
143.17076	7.6
159.07999	19.2
168.48839	9.0
168.72185	7.6
224.17699	10.5
274.83435	8.8
291.13031	9.5
318.13724	11.2
367.15359	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63845	4.2
60.90672	3.6
85.02903	12.5
92.66845	5.1
118.06534	12.6
121.06512	9.3
126.95304	4.7
130.06549	9.3
132.08099	7.8
139.90436	5.2
142.06430	5.3
144.08080	18.8
146.05998	46.9
156.08110	11.6
158.10774	4.6
166.12279	6.9
186.09363	4.8
188.07036	100.0
205.09689	25.2
217.09557	5.9
230.08101	22.1
247.10774	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	367.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.9
55.05507	4.1
57.07075	28.6
57.17080	3.1
65.60203	4.0
66.19998	3.7
67.05495	5.5
69.07058	3.6
72.62313	3.3
73.74444	3.9
79.05495	9.1
81.07049	13.2
85.06539	14.2
91.05493	7.0
95.08596	14.5
105.07031	45.5
109.06505	10.9
117.07019	5.5
119.08577	15.1
121.06534	7.1
129.07008	5.9
131.08556	5.2
133.06526	11.4
134.81792	4.1
135.04427	6.0
137.02342	100.0
137.03346	6.1
143.08546	8.2
147.08043	43.5
175.07568	9.8
189.12808	15.1
203.14378	12.7
231.13788	62.4
259.09512	4.7
279.51144	4.0
334.46048	4.8
367.15631	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	367.1539
Annotation	7-Prenyloxy-3',4'-dimethoxyisoflavone
Peak:m/z	Relative Intensity
52.72220	3.2
57.07053	5.6
91.05448	7.8
92.01849	4.1
94.96423	4.8
104.75918	4.5
107.87819	4.2
117.17729	4.9
121.06496	8.8
134.11639	4.3
137.05975	52.1
142.49783	5.0
149.05960	8.8
159.76288	4.5
167.48439	5.0
183.08051	4.6
202.07729	6.4
213.09233	9.9
217.10143	12.0
244.08810	6.7
245.09641	8.8
247.07549	8.0
262.09937	7.1
277.12076	8.0
290.09088	5.1
293.11935	6.7
321.11264	9.7
367.15372	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1539
Annotation	Pongamone A
Peak:m/z	Relative Intensity
51.02397	2.4
53.16438	2.5
57.07070	3.2
59.04993	3.0
70.00552	2.7
78.09605	2.8
78.90775	2.8
91.05482	5.2
95.04937	4.8
95.26315	3.1
105.07020	5.0
107.04946	92.4
109.06534	3.8
110.67442	3.4
116.06214	3.2
121.06501	9.6
128.06201	5.0
129.06987	6.7
131.04947	13.2
133.06529	5.1
137.05954	16.6
139.51309	3.7
149.06033	5.2
155.08517	3.9
157.06467	4.5
159.08076	4.4
165.07053	6.2
171.08018	5.0
201.09032	6.5
203.10683	5.5
212.08441	3.7
213.09145	11.2
215.08562	5.0
231.08055	9.5
231.10197	4.9
232.08804	4.5
244.08842	6.3
245.09560	8.7
247.11179	8.6
258.10394	3.6
259.11417	5.5
260.08514	4.5
271.11148	3.7
273.09030	4.0
287.10593	4.7
319.13315	4.2
337.14346	7.4
349.14264	8.6
367.15384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1539
Annotation	Ponganone III
Peak:m/z	Relative Intensity
63.86201	2.0
67.53214	2.2
77.03898	3.2
79.75408	2.1
89.03897	4.2
91.05452	9.0
93.06994	2.3
94.04144	2.9
95.04924	3.1
103.05447	6.9
105.03366	7.5
107.04945	17.7
115.05432	4.6
117.07001	2.9
121.06483	10.8
122.03602	4.6
128.06194	6.0
129.06993	13.6
131.04890	4.3
131.08551	13.5
133.02835	80.2
133.06520	3.2
135.04355	4.2
137.05989	26.0
141.06955	7.3
143.08516	4.3
144.05652	5.4
145.06529	3.9
146.07277	3.5
147.04424	3.6
149.05956	10.9
150.06754	4.6
153.07005	3.1
157.06464	4.8
158.07181	2.8
159.08028	16.3
161.09550	4.5
164.08324	4.3
165.05424	3.9
172.08844	3.6
185.09642	3.8
187.07550	8.0
189.08998	4.6
196.36052	2.9
198.06746	4.9
213.09106	11.8
217.08595	7.1
243.09868	4.2
243.72351	2.7
245.09467	3.3
261.09009	3.6
275.75186	3.1
307.17090	2.4
309.09415	2.5
349.14258	4.2
367.15326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82573	22.2
55.05510	52.5
56.96553	44.8
62.69878	26.9
65.01196	28.1
65.82343	28.2
67.05499	68.8
69.07061	36.2
71.08616	46.1
75.24799	29.1
77.55958	21.9
79.05498	38.7
79.57135	28.0
81.07041	76.0
83.04998	27.3
84.63367	25.1
91.05463	42.6
93.07030	50.5
95.08575	27.7
105.06992	29.2
107.08575	32.3
293.21173	88.9
307.15829	36.5
313.75021	32.9
348.18423	89.5
359.50165	33.4
367.18936	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2086
Annotation	6alpha,9-Difluoro-11beta-hydroxypregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
69.28550	8.5
104.92087	9.4
107.75476	10.3
137.25589	10.3
254.60236	11.5
260.37723	10.7
367.20856	100.0
381.79272	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	367.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96047	0.5
58.06584	0.5
72.57546	0.4
74.80621	0.4
77.03916	0.7
89.32830	0.4
91.05470	3.8
92.13055	0.7
93.07034	7.1
95.04932	2.5
103.05476	4.8
105.34424	0.4
121.06500	100.0
122.06852	0.5
128.13361	0.4
166.12267	78.2
167.12631	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	24.9
55.05490	65.4
57.03419	29.5
58.32620	11.7
58.34133	13.0
60.04576	12.0
67.05496	100.0
69.07052	42.4
71.04993	20.5
74.06556	13.1
79.05480	72.6
79.20491	11.7
81.07048	83.3
83.04965	36.1
83.08607	51.3
91.05463	42.1
93.07029	61.0
95.04933	72.7
95.08596	45.4
97.06528	24.7
97.10175	18.0
99.04421	17.7
105.07014	45.1
107.08583	60.9
109.06470	19.0
109.10176	16.7
111.04432	50.7
111.08157	19.7
117.06989	21.5
119.08578	41.2
121.10146	39.4
126.18471	13.6
131.08577	21.2
133.10126	19.1
135.11710	17.8
143.08582	18.4
145.10156	38.6
149.09613	41.7
160.56274	13.5
163.11195	23.8
173.58438	17.2
176.36929	15.7
210.09995	18.6
218.02869	16.3
223.13293	53.9
257.18939	27.2
275.20062	69.5
293.20999	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	367.2478
Annotation	Betaenone A
Peak:m/z	Relative Intensity
52.24327	3.7
55.01861	8.2
55.05493	19.0
57.03444	5.5
57.07075	3.4
57.14234	3.3
57.46400	3.4
59.02100	3.3
67.05502	35.9
69.07054	23.6
78.28025	3.8
79.05496	24.1
81.07049	40.6
83.04978	10.2
83.08587	4.9
89.51790	3.8
91.05479	33.2
93.07041	33.8
95.04960	18.7
95.08594	24.4
97.06516	5.8
105.07029	30.7
105.91473	3.7
107.04929	12.5
107.08565	26.0
109.06538	5.9
109.10158	7.5
110.88938	3.7
117.07021	13.5
119.08576	18.3
121.06503	15.7
121.10155	10.1
131.08540	21.1
133.10156	16.3
135.08098	7.8
135.11765	7.9
145.06456	4.6
145.10162	19.1
147.08072	4.2
147.11685	13.1
149.09651	8.2
151.11067	6.8
159.11703	9.2
161.13164	6.0
163.11208	9.3
173.13181	6.8
201.12889	5.2
215.17863	5.5
257.19070	9.1
275.20035	100.0
285.53537	5.5
293.21112	8.0
349.23642	41.5
367.24902	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83804	9.0
55.01866	14.6
55.05502	17.4
57.03421	25.7
67.05489	60.8
69.07056	33.3
73.13105	8.8
74.22897	8.8
79.05479	30.0
81.07041	100.0
91.05467	29.2
93.07040	51.5
95.04925	16.6
95.08607	43.0
105.07047	45.5
107.04973	14.4
107.08598	32.7
109.06527	21.4
109.10152	17.3
112.54599	9.3
119.08576	28.5
121.10151	26.4
123.08009	13.1
123.11722	15.4
131.08568	19.0
135.11635	13.2
142.31190	10.1
147.11665	36.7
165.12828	10.5
190.75473	9.8
225.62904	10.5
240.06624	9.5
275.19928	50.1
293.21002	10.9
299.28281	11.0
347.40552	12.1
349.23444	12.7
367.24832	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	367.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	17.4
57.07064	8.7
58.06592	4.6
58.22994	5.4
63.37625	4.9
67.05497	38.3
69.07070	25.2
75.10416	5.4
76.49632	4.6
79.05470	37.1
81.07054	45.6
82.62923	5.2
83.08633	6.9
91.05467	58.7
91.71665	13.2
93.07041	76.7
95.04948	43.3
95.08595	57.6
95.09054	4.8
97.06544	15.5
99.83750	5.9
103.05447	7.6
103.53330	5.4
105.07025	85.2
107.08591	58.0
107.09141	5.2
109.06525	13.2
109.10139	35.1
111.08061	8.2
116.22108	7.2
117.07069	22.3
119.08575	100.0
121.06505	10.3
121.10142	48.7
122.86080	6.4
123.08125	7.4
123.11721	13.7
128.06224	6.3
129.07050	17.1
130.07771	6.5
131.08577	53.2
133.10118	42.0
135.08113	22.0
135.11742	23.0
142.07832	21.8
143.08551	35.4
144.09387	11.8
145.10103	59.1
147.08086	13.6
147.11725	13.8
149.09604	14.4
155.08604	18.1
156.09431	9.2
157.10127	41.8
157.31119	6.3
159.11638	30.4
161.09625	28.8
161.13245	7.9
163.11269	8.7
169.10199	17.2
171.11757	21.4
173.13350	22.2
175.11243	10.0
175.14836	8.4
181.10216	13.2
183.11786	15.2
183.62784	7.7
185.13263	10.7
187.14783	9.2
195.11827	9.6
197.13327	15.4
199.14929	10.5
209.13239	14.0
211.60704	7.5
227.14395	16.1
255.17619	9.4
349.25592	8.6
367.26428	9.3
390.88226	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69239	3.4
51.79672	2.9
53.03926	4.9
55.01857	8.9
61.69156	3.4
62.44244	3.0
69.03423	36.0
73.02921	7.8
81.03403	21.1
85.02899	100.0
87.00817	37.0
91.71669	6.0
97.02890	24.7
99.04446	10.0
100.08790	3.5
105.01866	57.2
109.02877	17.9
127.03903	58.0
145.04956	23.0
159.02867	10.8
231.04971	17.4
325.63049	5.4
357.33826	4.6
368.21384	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	368.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	2.9
55.05491	6.5
57.03425	2.7
61.02929	3.0
67.05490	7.9
67.86844	1.8
69.03423	10.9
69.07058	8.6
71.04982	8.2
71.08250	3.6
71.08624	60.1
78.73905	1.8
79.05476	5.7
81.03412	6.2
81.07050	4.4
83.04982	5.3
83.08586	3.7
85.02895	40.0
91.05449	2.4
93.06995	5.0
95.04972	2.5
95.23080	1.8
97.02885	7.8
99.04499	2.5
99.08086	100.0
107.08598	3.2
109.02843	3.7
109.10143	6.5
126.25165	2.0
127.03909	9.9
135.11693	8.1
136.41872	2.1
142.04163	2.2
145.04944	9.6
153.12743	13.9
166.68073	2.0
244.97694	2.8
291.79041	2.6
328.29688	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52221	1.5
51.23776	1.7
51.52759	1.7
53.03904	1.9
57.03482	1.6
57.07068	2.0
59.04990	2.6
65.13355	1.8
67.05506	2.6
69.03438	5.4
69.07076	8.8
71.05019	3.2
81.07043	4.0
85.02892	27.9
89.90771	2.0
91.05489	3.1
93.07025	26.8
93.07558	2.2
95.08596	12.5
97.02902	6.5
97.06533	17.1
100.86403	2.1
105.07028	2.9
105.20810	1.9
107.08583	35.3
109.02970	2.7
109.10152	18.3
114.41696	2.0
127.03958	6.6
135.11691	80.6
139.03992	3.2
145.05011	8.8
153.12735	100.0
163.06100	3.8
171.13863	6.5
194.15457	4.8
204.08876	2.4
223.78952	2.0
369.11679	6.2
384.35840	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54590	2.1
55.05508	2.8
59.04980	3.2
62.75024	2.2
67.05490	2.7
69.03415	9.5
69.07051	12.3
71.01405	2.7
81.07040	5.0
82.39101	2.9
83.08595	3.6
85.02893	26.9
91.05473	3.8
93.07033	22.7
94.42939	2.5
95.08584	17.4
97.02875	8.3
97.06523	21.4
105.07027	3.1
107.08587	37.6
109.10152	14.9
118.75935	2.7
127.03904	6.7
135.11688	79.0
145.04973	6.7
153.12737	100.0
163.05980	3.5
171.13777	3.4
194.15402	9.0
211.58698	2.9
369.11691	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	368.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53453	1.9
52.68903	2.3
53.66170	2.0
57.07051	7.7
60.07898	3.4
60.08157	35.8
71.08593	4.5
77.09690	2.2
89.16293	2.3
103.94720	2.3
122.55157	2.6
186.75226	2.8
368.42484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48174	3.4
63.92646	3.5
65.70497	4.1
75.19483	4.2
81.43913	4.6
92.90741	4.2
95.54649	4.5
150.85602	4.0
158.74147	4.2
165.69707	4.4
185.04243	8.5
188.70329	5.1
249.90341	5.5
250.41284	4.4
369.07800	100.0
369.15329	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	369.0967
Annotation	3,4-Methylenedioxy-2'-hydroxy-3',6'-dimethoxy-[2'',3'':4',5']-furanochalcone
Peak:m/z	Relative Intensity
51.00538	1.8
55.01878	6.6
56.96559	2.1
60.18676	1.8
63.64247	2.1
63.89057	1.7
65.03951	7.1
68.99779	2.9
69.70982	1.7
74.21331	1.7
79.05505	2.2
86.47026	2.0
87.89157	1.9
91.05499	2.0
91.97251	2.1
93.84273	2.0
95.04968	2.8
99.55777	2.3
103.05521	2.6
109.02929	2.4
111.04465	10.8
119.04973	3.5
123.04458	7.2
131.04979	5.8
135.04404	70.5
139.03940	2.7
139.34164	2.5
145.02908	3.7
147.04459	4.4
149.02335	100.0
151.03877	16.1
161.06003	4.2
163.03899	2.8
173.06094	3.6
175.03870	28.1
177.05482	5.2
189.05426	3.1
217.05029	8.7
219.06551	3.2
226.01936	1.9
257.03250	2.4
297.26190	2.6
339.08710	9.7
353.12723	2.4
369.09665	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	369.0968
Annotation	3,4-Methylenedioxy-2'-hydroxy-3',6'-dimethoxy-[2'',3'':4',5']-furanochalcone
Peak:m/z	Relative Intensity
50.81682	1.4
53.45264	1.5
55.01615	2.6
55.01865	38.6
65.03925	4.5
79.05488	3.5
95.04929	2.0
103.05434	11.3
105.07024	2.2
111.04411	2.5
115.05453	9.9
119.04905	4.1
131.04922	14.1
133.06525	2.5
135.04410	100.0
143.04927	8.3
147.04413	4.5
149.02345	45.8
149.03549	3.0
151.03989	2.8
159.04410	5.1
161.05998	8.2
173.05899	18.2
175.03854	2.0
177.05518	6.6
184.07651	2.3
189.05502	6.0
191.07030	6.8
201.05492	2.1
219.06519	24.0
255.06601	4.2
286.31796	1.9
299.51462	2.2
304.45132	2.2
339.08524	5.6
369.09598	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88963	0.8
56.90874	0.6
57.33022	0.6
61.05775	0.7
65.03923	5.6
88.69033	0.7
93.03425	0.8
95.01310	1.5
103.05453	1.0
107.69245	0.6
109.02869	1.1
111.04440	4.2
121.02848	2.0
123.04422	3.2
131.04945	3.5
134.06050	1.0
135.04393	7.5
137.05972	1.1
139.03885	2.6
149.02328	100.0
150.02658	1.0
151.03876	10.1
151.82516	0.7
161.05956	5.4
162.08650	0.8
187.66139	0.7
189.05435	6.9
205.06398	1.0
217.04906	2.5
235.07507	0.8
239.04561	0.9
251.06963	2.0
263.07126	0.8
272.11819	0.9
279.24338	0.8
295.14642	0.8
308.51843	0.7
309.07599	2.2
339.08585	36.3
368.21259	1.0
369.09488	1.4
369.21451	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0967
Annotation	Deoxynogalonate
Peak:m/z	Relative Intensity
57.07738	1.5
60.87628	1.5
67.18102	1.5
69.39530	1.6
86.23709	1.7
93.07035	1.8
108.02077	2.6
108.45548	1.7
111.47393	1.8
115.05453	2.6
128.86076	1.8
131.04942	1.9
135.04303	2.5
149.02350	5.0
151.03923	15.3
151.05011	2.3
161.05894	2.4
164.89818	1.7
165.07027	2.9
166.07874	2.1
178.39224	1.8
179.08627	2.2
181.06473	3.1
189.05501	2.8
192.05672	4.4
193.06421	3.4
205.06438	3.2
206.07271	2.4
207.08055	3.1
209.05951	5.7
210.06778	4.2
220.05212	6.0
221.05949	7.3
223.07510	3.0
224.08289	4.0
234.06779	2.1
235.07506	11.3
237.05447	17.9
239.07114	2.3
245.04427	11.9
248.04601	4.3
249.05493	9.3
251.06966	6.3
252.07870	10.8
253.08592	2.5
262.06171	2.5
263.07083	15.3
264.07690	2.3
265.04941	16.3
266.05688	3.2
272.14679	1.9
276.04010	3.3
277.04984	4.0
278.05719	3.0
279.06424	3.5
280.07324	11.6
281.08102	8.2
291.06592	7.3
292.07211	4.0
293.04434	10.8
295.09741	6.1
298.70117	1.9
299.09152	2.2
307.05899	5.1
308.06735	57.1
308.10144	4.1
309.07443	9.9
313.10590	3.5
323.09113	100.0
327.08517	2.8
336.06116	2.3
349.07040	2.7
351.08630	30.9
369.09619	73.5
370.10376	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96182	1.2
57.52901	1.1
58.48775	1.1
59.12413	1.1
59.70169	1.0
71.07290	1.2
84.17481	1.3
91.35579	1.2
99.04418	1.7
203.05318	3.3
207.09897	11.1
369.15240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.133
Annotation	Curcumin
Peak:m/z	Relative Intensity
51.91471	2.1
55.11417	2.0
57.07055	3.2
64.15913	2.5
65.79138	2.8
78.04709	6.8
79.05473	7.2
81.07036	3.4
88.96778	2.9
89.03886	6.1
90.04667	5.1
91.05479	18.2
93.07029	3.6
95.04937	7.3
101.43344	3.2
103.05463	44.7
104.06264	4.5
105.03381	8.4
105.07029	27.8
106.04163	50.9
107.04943	5.4
107.08538	2.8
115.05456	12.3
117.03400	11.2
118.04123	14.9
119.04930	8.2
121.06483	18.6
123.04471	3.5
130.04137	3.5
131.03970	5.6
131.04910	50.9
132.05711	26.9
133.06480	59.7
134.03600	4.1
135.04420	4.1
145.06532	4.6
147.04433	4.0
149.05974	79.2
151.07556	5.1
159.08087	5.3
160.05243	8.6
161.05957	43.9
162.06776	6.7
163.07584	5.0
165.05428	6.8
167.06853	2.8
175.07474	5.5
176.04446	13.5
177.05452	100.0
179.07027	25.5
180.07855	4.8
187.07491	6.6
191.07008	16.5
192.07796	28.0
199.03719	3.9
207.06548	27.1
215.07036	14.9
263.17575	3.4
277.08453	3.0
328.11346	3.9
337.10623	43.8
369.09406	47.2
369.13452	15.4
382.81177	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1518
Annotation	Drosopterin
Peak:m/z	Relative Intensity
52.76728	1.7
53.31942	1.9
61.27406	1.8
81.33929	2.4
90.23325	2.4
91.81202	2.0
93.85059	2.1
129.51273	2.5
144.93715	2.0
166.16547	2.5
183.95766	2.6
196.58646	2.5
196.69533	2.2
210.39310	2.7
235.99377	2.4
242.04871	2.6
319.34192	2.8
355.46194	2.4
369.15192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1517
Annotation	Drosopterin
Peak:m/z	Relative Intensity
71.57957	1.9
72.08133	1.9
73.37565	1.9
98.76409	2.0
127.39968	2.3
182.79419	2.5
195.19722	2.4
258.64182	3.5
268.67975	2.7
312.58835	2.5
334.24954	2.7
369.15369	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39885	1.7
52.61403	2.0
53.00283	2.4
56.96548	1.9
57.07068	43.8
71.40595	2.1
85.06525	17.9
91.05476	44.7
93.07036	22.1
95.04963	5.8
103.53625	2.0
115.05392	2.2
116.06232	8.3
117.07030	3.7
129.07024	10.1
131.08560	100.0
137.02333	10.9
165.01816	5.3
175.03897	20.0
254.99268	3.3
267.10172	38.0
277.10791	8.4
277.39090	2.5
323.08908	3.7
369.09540	5.2
369.16919	6.9
393.22989	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	369.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74884	1.9
55.01867	5.7
55.05491	6.5
56.83426	1.5
56.96549	1.6
57.03420	4.9
57.07047	2.0
66.88380	1.6
67.05503	9.6
69.03379	2.5
69.07049	8.2
75.83439	1.7
79.05482	7.5
79.96936	1.9
81.06602	2.4
81.07050	35.0
83.04963	3.2
83.08599	3.5
90.43919	2.0
91.05483	4.8
93.07036	6.8
95.04932	3.3
95.08609	8.7
105.07026	5.0
107.04967	2.6
107.08578	6.2
107.19496	1.7
109.06532	11.8
109.10162	3.5
111.04400	17.3
111.08080	3.0
113.40525	2.0
119.08567	4.5
121.10151	4.2
123.08028	3.8
125.05993	6.4
131.08652	2.0
133.10162	5.4
135.08093	2.5
135.11682	5.0
137.05969	100.0
145.10132	2.0
147.08022	3.5
147.11678	6.2
149.09590	3.9
149.13275	2.0
151.07631	2.4
157.10130	2.7
161.09656	4.1
161.13249	3.2
163.11177	4.9
165.09113	3.5
175.11229	4.5
177.03284	1.9
177.12685	2.0
186.97388	2.2
195.97551	1.9
203.17970	5.3
213.16368	2.6
225.81274	1.8
231.17493	10.1
241.15787	2.4
249.18527	8.3
277.17932	39.6
295.19125	13.8
351.21790	8.4
369.22577	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	369.242
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
50.41378	14.8
53.03922	11.9
55.05492	16.3
57.09536	12.2
67.05495	95.3
78.88287	15.2
79.05472	41.1
79.88592	13.3
81.07048	100.0
88.07713	13.9
91.05466	68.4
91.71042	31.1
93.07040	80.7
95.04964	23.9
95.08614	71.7
105.07024	60.6
107.04945	66.9
107.08580	29.4
109.10168	30.8
121.10126	37.8
131.08545	20.6
133.06485	67.8
135.11728	23.1
145.06500	45.0
147.08066	58.7
157.06462	34.9
159.08035	19.3
161.09721	16.7
344.11700	19.3
351.23151	35.2
369.24158	91.8
377.87814	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	369.2423
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
55.05497	15.8
57.01929	4.5
67.05500	45.1
69.07047	10.3
79.05483	52.5
81.07034	54.3
85.92298	4.3
91.05470	41.1
93.07030	100.0
95.04946	10.7
95.08616	38.1
95.09177	6.8
96.85275	4.7
103.42618	4.7
105.07019	44.1
107.04965	21.5
107.08597	53.3
109.10179	13.2
111.33285	4.9
117.07027	7.5
119.08570	25.9
121.06486	8.3
121.10144	43.6
131.08575	21.4
133.06496	27.9
133.10118	13.6
135.04382	4.9
135.11694	41.0
145.06505	17.0
145.10150	5.3
147.04503	6.1
147.08046	16.0
147.11673	11.1
149.13239	31.7
151.03896	27.6
157.06467	7.1
159.08057	7.5
159.11681	9.8
161.09625	11.1
163.14819	14.1
177.05510	6.6
191.06979	14.4
191.47684	5.4
199.14511	6.2
224.76410	4.9
229.58662	5.4
351.23151	29.6
369.24258	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	8.7
67.05168	4.1
67.05492	40.9
69.07054	9.2
79.05486	58.3
81.07050	50.5
83.08593	3.9
85.62079	2.9
91.05470	48.5
91.71725	7.2
93.07033	100.0
95.04958	13.4
95.08609	33.4
105.07027	49.7
107.04926	17.8
107.08588	51.5
109.10152	14.0
110.19538	3.0
112.83021	3.4
114.91475	4.1
117.07014	7.6
119.08586	22.3
121.06490	9.3
121.10139	36.1
123.11725	7.2
131.08583	12.0
133.06505	14.1
133.10121	14.8
135.04395	4.0
135.07973	3.5
135.11685	49.0
145.06511	14.2
145.10129	7.5
147.08047	20.9
147.11694	11.6
149.13242	25.3
151.03914	24.6
157.06509	5.7
159.08064	5.6
159.11716	4.2
161.05995	7.4
161.09622	9.5
161.13235	7.3
163.14850	8.8
175.07510	4.5
177.05405	4.6
178.14413	3.5
191.06987	8.8
221.94295	3.8
248.20952	3.7
277.70383	4.1
351.23135	28.6
369.24164	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2424
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
55.05497	14.8
57.07040	6.3
61.48656	4.1
62.28541	4.4
62.48126	4.3
63.83444	4.0
64.10611	4.5
65.85293	4.4
67.05499	81.4
69.07067	14.4
71.12446	4.7
79.05486	72.5
81.07051	83.6
83.08633	7.0
91.05470	64.4
93.07039	100.0
94.51370	4.4
95.04958	16.6
95.08601	54.8
97.06485	4.5
97.10185	5.4
105.03415	6.4
105.07040	45.7
107.04937	33.9
107.08591	50.7
109.10148	13.1
117.07025	13.7
119.08583	26.5
121.06536	15.5
121.10146	94.1
123.11700	7.8
129.06999	5.4
131.08554	14.9
133.06480	37.5
133.10135	25.1
133.87057	4.9
135.11697	85.0
140.04936	4.4
143.08578	5.9
144.05719	5.4
145.06483	18.6
145.10124	12.6
147.08023	28.1
147.11676	8.4
149.13298	23.6
151.03891	32.5
157.06538	6.8
159.08084	13.1
159.11707	8.0
161.05995	8.2
161.09538	5.5
163.07573	6.5
170.88972	5.1
171.95560	5.9
177.05460	12.6
191.07045	20.3
245.88832	6.3
308.30685	6.0
351.23218	43.7
369.24207	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	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	20.7
55.49386	19.5
59.12304	19.0
67.05489	74.9
79.05478	34.2
81.07052	81.6
85.10126	24.9
91.05499	37.8
93.07053	56.8
95.04943	27.1
95.08589	57.2
95.29532	22.1
105.07045	27.0
107.08574	39.1
109.10156	49.3
113.09668	28.2
120.40792	21.7
121.10064	29.9
121.72987	20.9
133.10165	31.1
164.33519	24.3
165.12807	26.3
277.21640	49.1
295.22720	100.0
331.83566	29.4
355.12711	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	369.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36813	2.4
55.05511	23.5
57.07073	7.0
57.43806	1.9
60.57856	2.0
67.05494	84.0
69.07062	31.1
69.69556	2.3
71.04989	7.3
73.50997	2.2
79.05483	19.8
81.07048	100.0
83.08621	14.0
85.06552	9.0
89.06050	2.7
91.05501	9.6
91.71033	5.2
93.07029	30.9
94.65079	2.4
95.05013	2.9
95.08595	78.9
97.06567	2.6
97.10194	10.6
105.07065	10.8
107.08600	19.6
109.10149	32.6
109.10738	2.4
111.11768	2.5
119.08612	8.6
120.84017	2.5
121.10133	25.1
123.11740	13.5
133.10193	5.9
135.11690	15.5
137.13284	4.9
147.11780	3.4
149.13304	8.5
161.13332	2.9
163.14864	5.0
244.27074	3.6
251.19279	3.1
315.30560	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	370.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87266	1.9
52.47979	2.1
55.01871	3.7
57.03445	3.9
59.16829	2.4
61.02900	5.2
69.03417	18.0
70.06577	6.7
76.69032	3.0
81.03407	6.3
85.02900	63.2
86.09718	3.4
91.62070	2.9
97.02900	15.5
99.04499	3.9
109.02856	3.3
127.03931	8.7
130.06561	9.4
144.08072	12.8
145.05014	6.7
146.06050	4.7
147.27101	3.0
153.18082	2.9
154.06516	26.9
172.07565	38.0
190.08632	37.6
208.09686	100.0
282.38382	2.8
282.56064	3.3
382.16019	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	370.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47722	1.4
54.82380	1.2
60.04519	100.0
60.07487	1.5
66.68056	1.5
67.05489	4.0
69.03402	2.3
69.07056	1.7
70.06583	45.8
71.04960	2.8
72.08133	2.3
76.43593	1.7
79.05488	12.7
80.58344	1.4
83.03909	1.4
84.04479	2.3
84.08125	2.3
85.02898	3.8
86.09654	2.7
95.04958	3.6
97.02917	1.7
103.05477	4.9
105.07024	2.7
106.05888	2.6
106.06546	36.7
106.07197	2.7
107.04950	83.9
107.05686	4.0
109.10115	1.8
110.07195	1.9
110.94468	1.5
112.07590	4.4
115.16584	1.6
131.04916	36.5
136.07559	2.6
145.08624	2.0
148.07555	25.5
149.05978	10.7
152.31100	1.6
179.07040	2.1
190.08606	20.4
195.63297	1.8
200.48608	1.6
208.09660	30.8
208.11459	2.2
326.16077	2.6
345.60074	1.9
370.11914	4.2
382.12372	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31726	0.7
52.63976	0.7
58.06559	0.8
60.35817	0.7
64.19234	0.7
69.07064	4.8
70.06581	4.5
71.07618	0.7
72.08128	0.9
74.06068	2.0
74.09706	1.2
74.28667	0.7
83.54464	0.8
84.04504	0.9
84.08118	1.0
86.09699	100.0
95.06008	0.8
110.07156	13.4
112.77006	1.0
116.07131	3.6
132.10197	57.6
146.77347	1.0
150.05490	1.1
156.07680	6.8
187.14413	1.3
223.15642	1.2
251.14970	1.5
370.20688	1.5
385.23987	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	0.8
61.69850	0.8
69.03419	2.0
70.06586	1.5
71.04611	2.0
71.04984	34.6
81.03423	1.1
85.02892	6.8
85.06532	4.7
91.71702	1.1
93.42331	0.9
95.04990	1.3
97.02905	3.1
113.05982	5.7
127.07560	17.2
131.07042	19.9
142.47101	1.1
145.08589	100.0
162.11330	1.5
173.08110	3.9
180.08691	1.5
191.09102	15.5
208.11801	2.7
261.54794	1.2
284.38715	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94192	3.2
62.41451	2.7
68.99448	3.3
74.06091	4.5
86.09731	6.3
93.07056	5.6
110.07153	26.9
119.16063	3.5
121.06501	100.0
122.06843	61.4
122.07632	4.6
134.15129	3.7
156.07677	27.3
166.12253	67.1
167.12622	63.1
187.14362	3.8
237.68866	3.9
238.72099	3.8
243.99493	3.7
248.43539	4.1
338.53247	4.4
342.75647	3.6
355.89749	4.5
370.20901	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	370.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33726	0.9
55.86535	0.8
56.37260	0.9
58.98331	1.0
65.03928	5.1
67.05488	2.7
69.07040	3.1
79.05500	1.4
81.07061	2.3
83.08604	1.7
86.06060	0.9
91.05468	100.0
95.08607	2.1
106.06542	2.4
108.08089	9.0
109.10146	1.1
123.11668	1.3
198.57715	1.2
219.14421	1.2
245.22575	1.2
245.91512	1.5
263.92386	1.6
268.97913	1.5
270.92264	1.8
286.94183	2.0
328.95123	1.6
329.93549	5.2
370.30615	10.0
370.96228	3.5
385.39627	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	370.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	3.2
66.24582	3.0
69.07058	4.0
70.06577	22.8
73.46825	2.7
83.08579	3.1
84.55249	3.0
88.07624	58.9
89.56516	2.7
91.05801	2.7
106.08662	100.0
106.09377	6.3
114.07372	11.7
147.73592	2.9
152.86813	3.3
164.70900	3.3
196.08676	3.1
240.90979	6.1
263.92603	5.3
270.92007	3.7
286.94043	4.6
309.27805	7.5
310.64743	3.5
329.93582	9.6
370.33011	10.3
370.96161	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	370.9621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93530	1.7
56.97240	1.4
67.50128	1.6
70.95847	3.9
132.95834	5.1
150.96886	2.7
155.97351	2.8
172.76602	1.8
203.90463	2.4
216.95023	2.1
222.89859	37.9
229.89590	27.2
240.90910	70.5
245.91449	33.6
246.89769	3.1
247.90694	14.0
263.92487	34.1
264.90909	16.1
268.93137	2.5
270.92218	21.0
279.89603	5.3
282.91949	18.6
286.94092	21.4
287.92499	19.1
287.95087	2.1
288.90674	15.7
302.91122	2.0
305.93539	18.3
306.91934	54.2
311.95099	2.8
324.92993	13.8
328.95074	16.4
329.93524	100.0
345.51230	2.3
346.96069	3.2
347.94604	18.3
370.96228	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	371.1124
Annotation	Sesaminone
Peak:m/z	Relative Intensity
54.02183	0.6
55.01859	1.9
61.02922	0.8
65.03931	6.3
68.99760	1.0
69.60897	0.8
72.50134	0.9
74.08057	0.7
77.03937	0.8
79.05463	2.0
81.03423	5.5
95.01290	1.4
95.04976	1.8
103.05478	1.5
109.02852	1.0
111.04437	1.9
115.05433	3.0
121.02857	3.8
123.04400	1.4
128.06248	1.6
129.06984	6.2
130.04086	0.9
131.04935	1.2
135.04411	49.0
139.03928	2.2
143.04929	3.3
145.06529	1.4
149.02335	100.0
149.03392	5.9
151.03828	5.1
155.05038	0.9
157.06485	6.5
159.04391	1.8
163.03905	2.6
165.05472	1.1
171.04437	1.8
173.05997	3.1
174.34520	1.0
175.03918	2.1
185.05981	1.0
187.07574	5.4
189.05510	4.9
189.06982	1.7
201.05453	12.7
203.06940	1.8
219.06482	3.8
219.08257	2.2
231.06487	2.6
235.07567	1.0
247.07431	2.7
259.07584	2.7
263.07053	1.0
265.08655	1.6
277.08640	2.3
281.04446	1.3
281.07816	0.9
282.05185	1.8
287.07001	1.2
293.08130	2.0
295.09464	0.9
305.08078	3.5
307.09625	1.1
317.08099	3.9
323.09180	7.9
335.09195	5.3
353.10306	5.0
390.97675	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	9.6
61.94055	5.2
62.65884	4.9
79.05492	9.9
81.07046	6.9
91.05470	6.5
95.04970	11.0
103.05456	31.0
106.04160	16.1
107.04945	13.6
111.04491	8.5
117.03339	6.9
121.06501	18.7
124.32296	6.5
131.04906	15.4
135.04420	20.3
137.05978	11.5
139.07562	7.7
147.04413	9.7
149.02307	10.4
149.05988	40.5
151.03902	7.7
163.03877	8.9
166.19972	6.7
166.57822	6.6
167.07028	8.8
177.05457	100.0
189.05490	11.7
219.06435	15.7
276.25967	7.7
276.29254	9.4
281.08121	10.2
293.08081	8.6
378.20053	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	371.1123
Annotation	Sesaminone
Peak:m/z	Relative Intensity
55.01856	3.2
57.47163	1.1
65.03918	5.6
78.85860	1.1
79.05463	3.1
81.03406	4.1
92.34585	1.2
103.05455	1.4
105.03386	1.7
105.07013	1.2
109.02819	1.7
111.04424	1.3
115.05454	3.1
128.06194	1.4
129.07002	8.2
135.04401	47.0
139.03972	2.1
143.04985	3.6
145.06509	1.3
149.02327	100.0
151.03920	4.7
157.06526	6.6
159.04335	2.3
163.03899	2.2
171.04408	2.8
173.05949	3.6
187.07544	6.3
189.05461	4.4
189.07034	1.6
201.05438	12.9
202.39835	1.2
203.07077	3.3
219.06468	4.0
219.08224	1.4
247.07372	1.6
259.07562	1.5
264.62341	1.2
265.08823	1.5
275.07001	1.7
277.08572	2.4
281.04465	1.5
287.06998	1.4
293.08179	2.6
305.08124	3.5
315.19495	1.3
317.08035	3.9
320.98938	1.2
323.08862	5.8
335.09125	4.9
341.10248	1.6
353.10184	4.4
371.11337	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1126
Annotation	(+)-DCA-CL
Peak:m/z	Relative Intensity
63.95896	9.4
102.49706	16.5
136.64342	12.6
151.03903	71.3
167.18048	13.3
240.07823	37.9
241.91219	13.4
268.07358	56.3
283.09549	96.9
293.08356	15.9
297.11169	19.1
311.09201	76.7
325.10779	38.5
353.10181	100.0
371.11072	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1124
Annotation	Chaetoxanthone A
Peak:m/z	Relative Intensity
69.64067	7.4
69.79659	6.0
80.30617	6.7
91.05466	18.6
95.04926	14.5
103.05495	16.9
107.05000	8.3
123.04414	10.2
131.04930	16.7
133.02788	8.6
137.05978	39.0
149.06001	10.3
151.03949	11.1
177.05559	15.2
179.03412	26.0
182.16469	7.5
193.04990	37.4
193.06577	12.6
194.05727	100.0
194.07265	12.9
201.05418	12.8
204.04166	8.4
205.06505	26.9
206.07211	11.9
207.06445	10.8
217.06519	9.4
218.07260	11.3
219.08076	14.7
222.06763	10.2
233.06032	21.6
234.06700	9.5
235.07564	15.3
237.09129	13.7
241.96191	7.5
247.07520	10.1
249.05341	11.2
249.09190	10.8
250.06313	16.7
251.07126	13.9
260.04596	7.5
261.05466	8.6
263.07153	9.6
264.07687	10.4
265.08640	25.9
275.07071	16.8
278.53876	7.5
292.07355	35.8
293.07996	40.6
303.06738	11.5
307.09647	21.0
321.07635	46.2
325.10706	36.9
335.09158	27.0
353.10150	93.3
359.61600	8.9
371.11172	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1123
Annotation	(+)-DCA-CL
Peak:m/z	Relative Intensity
55.01862	0.8
59.51150	0.6
60.31282	0.7
63.83878	0.6
65.03917	0.7
67.04015	0.6
71.42388	0.7
78.80107	0.9
79.05496	1.0
79.85813	0.7
82.29762	0.8
91.05466	1.4
99.75275	0.6
103.05450	0.8
111.04401	1.0
115.27872	0.7
119.04910	0.8
135.04427	2.3
137.05939	1.7
142.34549	0.8
145.06497	1.2
149.05940	1.3
151.03932	2.7
165.07050	1.0
167.07037	1.4
177.05484	1.0
181.06525	1.2
194.07246	1.4
195.08032	1.1
197.05919	1.7
211.07437	0.8
221.05925	1.1
222.06789	0.8
223.07523	3.0
224.08316	1.0
225.05478	1.7
229.04813	1.0
236.08220	1.1
237.09140	2.6
239.07050	2.9
240.07782	19.1
247.06009	0.9
251.07043	2.2
253.08554	1.5
254.09431	0.9
255.10159	1.0
264.07852	1.3
265.08661	2.6
267.06537	2.4
268.07269	50.8
279.06589	1.2
281.08038	2.2
282.08905	2.6
283.09610	52.2
291.06641	0.9
292.07248	3.5
293.08069	3.0
295.05978	1.5
296.06754	1.2
297.11203	6.4
307.09680	1.9
310.08325	12.5
311.09082	23.2
325.10651	24.5
338.07791	4.5
351.08563	2.8
353.10144	100.0
354.10449	1.6
371.11252	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1124
Annotation	(+)-DCA-CL
Peak:m/z	Relative Intensity
55.01848	4.3
71.34309	3.0
73.02905	16.8
79.05450	4.0
80.28027	2.7
85.50374	2.8
89.74477	3.5
101.44468	3.3
103.05444	3.9
107.04964	4.7
131.04924	12.4
135.04411	39.8
137.05974	11.6
145.02818	3.7
147.04327	3.8
149.02338	10.0
151.03870	13.7
152.06192	4.1
153.07068	4.7
161.05975	10.9
165.05484	3.7
168.05681	3.7
172.79227	3.6
175.03915	6.4
175.44829	3.7
181.06461	6.4
183.08057	12.3
189.05414	4.3
192.62790	3.6
197.06009	3.6
209.05963	6.2
211.07538	18.5
239.03362	5.2
239.06921	17.7
243.10170	19.7
267.03000	5.3
280.07294	4.1
299.09082	100.0
311.09058	3.8
315.08746	7.1
325.07056	52.4
325.10681	7.7
353.10233	10.1
371.10895	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	371.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31308	11.2
89.25101	12.8
90.87319	13.6
93.07027	16.3
116.17767	17.1
255.37636	15.8
276.44849	17.3
371.14227	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38824	4.4
62.42138	5.2
66.72956	4.8
107.72631	5.7
124.98293	6.1
133.10194	13.4
138.16028	6.4
161.34731	6.4
173.20021	6.5
199.26877	6.2
266.54456	6.8
312.09781	10.5
371.14539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11664	3.8
59.39710	3.9
65.03921	4.5
80.24689	4.1
94.04414	4.3
102.53641	5.6
108.73112	5.0
119.73586	5.0
132.53902	4.9
133.06540	4.9
133.97812	5.4
134.36902	5.3
137.05954	9.4
149.02371	17.9
151.03906	67.7
151.05074	6.7
168.58830	5.6
173.05969	11.2
194.07156	6.2
201.05518	8.2
214.92885	5.1
222.06696	6.4
229.05045	14.1
239.06950	9.2
240.07745	38.3
251.07072	12.2
254.09521	9.3
264.03992	5.5
264.07846	5.8
265.08701	13.6
268.07239	63.9
282.08829	7.9
283.09656	75.2
292.07349	13.7
293.08163	14.8
297.11102	22.6
307.09564	11.0
311.09174	70.3
322.08197	5.5
325.10672	31.8
341.10324	14.5
353.05759	4.6
353.10126	100.0
371.10419	38.7
371.15167	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	371.1465
Annotation	Fargesin
Peak:m/z	Relative Intensity
53.66311	17.8
55.05489	37.3
56.38460	18.5
58.10925	19.0
59.79106	16.1
61.52459	20.5
70.37817	18.4
97.58416	20.4
100.11246	66.5
102.37786	20.0
163.20679	21.9
167.06860	20.4
182.15442	28.3
214.21939	24.0
305.98099	24.6
371.14954	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20457	3.4
53.23896	3.9
54.08134	2.8
55.01863	6.9
58.65603	3.3
66.68238	3.2
71.10499	3.8
79.05475	6.5
80.11756	4.1
80.41482	3.4
80.81168	3.5
91.05458	9.2
94.04176	5.0
97.02893	4.2
107.04977	14.1
109.06637	4.5
115.05463	9.4
122.03671	6.0
129.06969	8.8
131.04941	5.9
131.08606	11.7
133.06546	9.3
135.04430	19.3
137.05975	100.0
141.07004	5.0
144.05710	6.7
147.04430	5.0
149.02371	11.6
151.03922	8.2
156.05655	24.3
157.06544	8.7
159.08086	19.4
167.07048	23.3
173.05972	9.0
175.07596	10.5
177.05484	7.2
181.06465	5.4
184.87497	5.0
187.07596	18.4
189.07104	6.1
189.09087	4.2
202.06256	6.3
203.08485	5.2
205.08461	4.6
217.08563	52.7
218.07298	8.6
219.06349	5.8
219.08217	4.7
221.09695	8.1
231.08061	7.5
233.09583	9.5
234.06775	7.5
235.07552	10.4
239.07092	13.6
241.08669	5.4
242.05728	5.9
246.06790	5.0
247.09679	19.2
248.08414	5.2
249.09096	15.7
252.07808	9.8
257.08066	8.9
261.09103	9.0
263.06973	8.8
271.06012	7.1
277.08643	14.0
278.09366	9.8
279.06485	5.4
281.11627	5.9
283.09918	6.7
285.07535	45.3
289.08447	9.8
293.08289	6.8
293.11719	17.1
300.09885	47.3
301.10825	11.9
307.09753	7.4
309.11221	16.3
321.11154	17.2
326.11420	15.1
341.13727	8.5
353.13718	36.1
371.15167	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	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15760	4.2
55.01857	12.5
60.27076	4.8
67.05450	6.4
68.13461	5.7
71.07434	4.7
71.54495	4.5
72.30183	4.7
73.12987	6.5
79.05498	8.5
91.05459	12.4
91.71629	7.0
107.04946	22.4
122.03628	10.8
128.06235	7.7
129.06978	11.1
131.04921	12.5
131.08537	13.4
137.05965	100.0
144.05702	7.1
147.10750	6.0
151.03905	12.8
156.05743	26.0
157.06596	7.2
159.08063	13.0
161.05983	7.3
167.07034	47.9
174.06738	11.3
175.07458	12.7
177.05429	12.4
178.07872	7.3
187.07613	26.3
189.06969	6.0
189.09163	11.2
190.07857	9.1
190.94261	6.5
194.05739	9.9
198.26164	5.7
202.07823	7.2
206.07298	8.7
215.08621	12.0
217.08569	75.8
218.07283	10.1
219.08160	13.1
219.10184	7.1
223.07544	8.1
231.07959	12.7
233.06003	11.4
233.09695	16.8
234.06764	9.3
235.07712	18.0
239.07028	24.8
241.08635	11.3
246.06721	9.1
247.07437	9.8
247.09703	18.3
249.09114	24.8
250.80830	5.6
251.06966	13.0
257.08005	13.3
260.08194	7.8
261.08994	10.8
263.07034	13.6
266.09128	7.6
271.06213	11.6
277.08670	15.5
278.09473	12.5
285.07532	54.1
289.08658	9.1
291.06439	8.1
293.08246	9.7
293.11716	15.6
300.09958	58.9
301.10736	10.8
307.09723	7.9
309.11121	17.2
321.11145	21.9
326.11444	20.8
338.11780	8.4
341.13770	14.0
353.10132	10.4
353.13864	42.6
371.11047	12.0
371.15134	10.8
394.16425	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	371.1675
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
55.87431	0.9
75.19600	1.2
80.75304	1.0
90.65555	0.9
96.37006	1.1
125.24062	1.1
125.26765	1.1
130.61563	1.2
168.15807	1.1
209.11478	1.8
228.67613	1.3
371.16730	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1675
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
51.19511	1.1
52.96647	1.3
55.01992	1.1
57.07054	1.9
58.40609	1.3
60.76274	1.3
70.06583	2.2
82.18457	1.3
128.89766	1.6
137.06036	1.6
158.38469	1.5
164.85052	1.7
209.11511	2.3
239.49191	1.7
277.26364	1.7
344.06210	1.8
371.16733	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1676
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
53.65368	1.9
54.59919	1.8
55.46238	1.9
68.60020	2.0
72.43102	2.3
74.13813	1.8
95.04932	2.9
105.56422	2.4
185.73871	2.9
211.58186	2.6
371.16711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99257	2.1
57.07037	2.4
60.86316	2.1
70.06574	22.9
72.08134	6.5
73.43415	2.1
84.04522	3.8
84.08113	3.3
85.02852	3.2
86.09686	9.8
86.86066	2.4
91.05471	6.6
93.92326	2.6
101.06026	3.0
109.36021	2.5
119.04944	12.5
121.06459	2.5
140.36086	2.6
147.04388	30.0
172.05180	3.2
196.20415	2.5
203.05177	3.5
209.11577	2.5
215.13890	3.7
280.70389	3.1
286.65445	2.9
371.16696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
52.64396	1.5
53.03934	2.1
53.62257	1.7
54.17417	1.6
57.03421	2.9
57.07067	1.6
61.02919	4.7
67.05502	3.4
69.03422	18.7
69.56088	1.5
79.69632	1.9
80.25320	1.8
81.03387	9.5
81.07034	5.2
83.04950	3.2
85.02895	45.1
87.04465	2.1
87.55611	1.8
91.05493	1.9
93.07060	3.0
95.04953	1.9
95.08566	4.0
97.02869	11.4
99.04444	3.2
107.08569	5.5
109.02866	4.2
109.06491	5.0
109.10153	3.5
119.08525	3.4
121.10123	6.5
123.08043	3.6
123.11680	2.7
123.22861	1.6
127.03909	6.3
137.09608	6.8
145.04991	8.8
149.09590	8.4
149.13254	4.6
151.11163	34.3
165.12741	40.2
191.14310	6.3
193.15839	4.0
200.07959	1.9
209.15344	100.0
241.95805	2.0
284.00330	2.2
332.88562	1.8
371.16714	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	371.2065
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03954	5.4
55.05507	36.5
57.03429	6.5
57.07058	17.8
59.04984	13.4
61.02926	8.1
67.05489	19.7
69.03419	33.2
69.07056	25.6
70.06575	20.4
71.05000	7.6
79.05474	9.9
81.03394	16.9
81.07048	21.6
83.04974	17.2
83.08627	11.4
85.02892	76.5
85.06541	27.9
86.09706	16.0
91.05461	16.0
91.71600	5.6
92.91405	5.5
93.07021	34.7
95.04932	7.9
95.08617	14.7
97.02882	24.3
97.06532	7.8
99.04433	9.6
99.08102	14.7
101.06013	90.6
105.07011	16.0
107.04952	11.6
107.08582	43.5
109.02873	5.5
109.06499	18.3
109.10146	31.6
118.25602	5.9
119.08595	21.6
121.06509	13.5
121.10137	48.6
123.08105	7.3
123.11688	6.4
127.03933	15.0
128.22220	6.2
131.08554	33.7
133.10127	30.6
135.08057	12.0
135.11729	9.8
137.09605	47.0
137.33646	5.8
143.08556	9.2
145.04961	7.1
147.04453	7.5
147.11717	7.2
149.09598	36.4
149.13225	10.9
151.03909	16.0
151.11221	19.6
151.92148	5.8
163.14832	36.2
173.13242	35.3
191.14311	100.0
209.15337	41.4
310.72449	6.3
371.16721	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	371.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86172	4.5
56.96548	20.9
60.43336	3.9
64.66738	3.9
84.13522	4.9
103.05415	5.7
105.37965	5.8
109.38524	4.9
118.54482	6.7
131.04915	8.1
135.04436	17.6
149.02417	7.7
206.91258	5.5
250.16922	7.1
278.24304	5.2
335.19003	13.0
353.19934	29.5
363.30914	7.6
371.21011	100.0
376.21509	14.0
394.22598	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	371.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49283	7.3
54.40105	8.4
55.29076	7.9
56.93450	7.6
59.04986	22.9
64.13979	7.2
65.41068	7.3
67.05493	15.0
67.13565	7.8
69.07054	8.4
81.07030	14.2
86.74154	7.9
88.71240	9.6
91.05473	100.0
94.50684	8.8
103.05482	9.2
105.07028	36.9
117.07014	36.6
125.56213	8.9
133.06541	13.2
145.10083	18.2
149.09639	10.5
150.06781	9.9
159.06369	10.3
163.07520	13.2
165.09160	18.6
175.94749	10.4
193.08531	48.9
225.11189	11.8
240.90866	14.6
263.92664	18.2
280.86447	9.8
307.16785	11.7
321.98541	9.9
329.93527	37.5
370.96259	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2424
Annotation	Kalmanol
Peak:m/z	Relative Intensity
55.05495	14.6
55.18135	5.1
56.13888	6.2
59.11053	6.3
62.94207	6.0
67.05495	76.8
69.07052	12.1
71.04919	7.7
79.05491	27.3
81.07043	80.1
83.08596	13.9
91.05467	31.5
93.07025	36.5
95.04980	12.4
95.08604	41.9
97.06509	8.4
105.07035	30.4
107.04943	26.8
107.08587	18.8
109.06464	7.2
109.10155	22.2
116.97597	6.9
117.07007	16.8
119.08578	22.8
121.06448	9.1
121.10162	17.4
129.07045	10.2
131.08554	20.2
133.06474	13.1
133.10132	14.9
135.08031	9.9
135.11662	14.1
145.06488	12.9
147.04385	12.8
147.08054	32.1
149.05978	7.9
151.03893	12.1
157.10075	10.3
159.11624	13.1
161.09631	14.4
171.07968	11.2
171.11687	12.1
175.11217	10.6
203.10809	10.2
221.11662	11.2
225.12866	9.1
259.66870	8.7
263.17865	13.9
267.56271	8.3
281.19119	13.9
299.19983	40.2
317.21085	100.0
335.22159	75.8
353.23074	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33436	3.2
55.05503	12.0
63.39397	3.7
64.98614	3.5
65.03968	5.1
67.05498	100.0
69.07082	11.6
79.05509	14.7
81.07047	96.4
81.07465	6.1
83.08631	5.4
91.05495	7.6
93.07069	16.7
95.05032	5.6
95.08604	83.7
95.09167	7.0
97.03419	4.1
97.53858	4.7
105.07066	11.9
107.04992	14.3
109.10178	31.9
117.07092	5.1
119.08693	6.5
123.11736	16.4
127.02665	4.6
133.06548	16.7
135.11777	9.5
137.13298	5.3
145.06551	10.6
147.08055	10.3
151.03894	50.2
151.04857	4.2
151.14862	7.4
156.04225	4.4
157.06529	5.7
161.05945	6.7
177.05579	6.4
185.09595	5.2
191.07153	18.6
268.27548	5.4
301.04950	5.0
353.24603	13.0
371.25797	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	371.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	15.6
55.05505	44.8
57.07059	10.0
62.83796	4.5
63.53596	4.3
67.05496	93.4
69.07066	79.3
71.05002	6.6
71.08637	7.3
73.29467	3.9
76.88403	4.8
79.05489	28.4
81.07047	100.0
83.08607	17.7
91.05458	19.0
93.07037	31.6
94.24420	4.5
95.04928	6.9
95.08600	73.7
97.06530	6.7
97.10155	12.1
105.07013	26.3
107.04960	52.0
107.08601	9.5
109.10134	23.3
111.11695	5.6
117.07019	8.3
119.08593	11.8
121.06561	11.8
121.10144	15.2
123.11743	10.9
129.06989	8.0
131.04927	10.5
131.08612	7.7
133.06482	79.4
135.04398	15.3
135.11711	13.1
137.13271	9.9
139.11200	15.7
140.55128	6.3
145.06456	66.4
147.08051	64.0
149.06003	10.7
151.03929	22.7
157.06487	38.9
159.08063	18.1
161.05980	21.5
161.09653	11.0
171.08023	10.8
173.09569	8.9
175.07553	8.7
185.09615	7.6
191.06956	9.3
199.11255	10.2
204.08624	5.2
215.14471	5.8
283.17059	8.1
325.25250	7.9
343.26559	11.8
353.24493	24.6
371.25949	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	371.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	20.1
55.05727	3.1
57.07072	4.6
61.03504	3.0
65.03923	5.0
67.05495	100.0
68.24870	3.2
69.07055	22.8
71.04948	3.2
79.05482	14.8
81.06602	5.8
81.07046	81.2
83.08596	13.8
85.82758	4.4
91.05477	14.2
93.07045	25.0
95.04967	5.2
95.08592	86.7
95.09164	7.5
97.10184	4.3
105.03397	7.6
105.07009	16.5
107.04964	17.6
107.08583	12.2
109.10149	40.2
116.75124	4.2
117.06989	7.2
119.08515	6.2
121.06538	5.6
121.10143	15.9
123.11707	14.5
130.59192	4.1
131.04895	5.8
131.08603	7.8
133.06473	25.6
135.04376	9.6
135.11658	6.5
137.13240	5.5
145.06532	19.9
147.08058	30.6
149.05952	4.7
149.13278	8.4
151.03889	96.3
152.71652	3.9
157.06502	5.3
159.08023	8.5
161.05992	10.6
161.09665	5.1
165.08754	4.1
171.08096	5.7
173.06029	9.6
173.09641	6.7
175.07463	5.4
177.05519	12.1
179.07004	6.0
185.09650	5.0
187.11072	5.4
189.16292	4.1
191.07024	22.4
201.09152	5.5
205.08640	6.7
265.77087	4.7
294.36560	4.2
335.23624	6.1
353.24854	25.7
353.28384	4.9
371.25604	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	371.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	5.2
57.10033	4.5
58.90550	4.8
67.05494	100.0
69.07059	14.8
79.02461	4.9
79.05480	12.6
81.07046	99.2
86.78119	5.2
91.05484	9.0
93.07052	23.1
93.90326	4.7
95.08601	83.2
97.81392	4.9
101.54967	5.0
105.06969	7.0
107.04939	10.1
107.08603	10.6
109.10144	38.3
119.08546	6.5
121.10152	13.4
123.11715	15.1
133.06499	15.5
135.11702	6.2
137.13293	7.0
145.06470	14.3
147.08092	12.7
151.03914	55.0
151.14650	5.7
159.07982	5.8
174.95610	6.2
179.07086	8.2
191.07028	15.1
239.00958	8.6
304.30963	6.7
353.24829	20.7
371.25943	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	371.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91418	2.1
55.05491	10.3
57.07045	3.7
65.03917	7.3
67.05495	95.0
69.07050	9.7
79.05479	12.1
81.07048	100.0
83.08598	6.4
84.80659	2.3
85.94345	2.4
88.82747	3.2
91.05480	11.3
93.07034	16.7
95.08595	80.4
105.07027	8.4
107.04951	9.5
107.08598	10.1
109.10149	38.1
119.08572	4.7
121.06546	3.2
121.10124	6.9
123.11709	15.2
127.99770	2.7
133.06511	12.1
133.10097	5.0
135.11681	7.1
137.13277	8.0
145.06467	7.8
147.08051	13.2
149.13235	4.9
150.53635	3.0
151.03889	37.6
159.08118	4.9
161.05919	5.5
161.09615	4.7
162.91206	3.1
177.05501	5.0
191.07068	9.3
219.10066	3.5
289.97446	3.1
353.24774	17.9
371.25766	12.6
392.47644	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	371.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	9.7
57.07063	3.4
58.94884	3.0
60.27546	3.5
67.05493	80.7
67.05836	7.8
69.07043	13.7
72.24084	3.6
79.05485	16.7
81.07047	100.0
82.86930	4.0
89.81903	3.7
91.05471	8.5
91.71013	8.7
93.07036	15.8
95.04980	5.7
95.08598	79.0
97.10127	4.6
105.07030	10.6
107.04958	10.8
107.08604	5.0
109.10159	20.8
121.06557	4.4
121.10143	4.1
123.11729	13.8
129.76262	3.9
133.06497	11.5
135.11653	5.6
137.13249	8.6
145.06499	5.3
147.08081	9.7
150.71370	4.1
151.03888	44.6
161.06013	8.1
173.09650	6.1
177.05717	4.1
179.06889	5.0
179.25182	4.2
182.53783	4.3
191.07103	8.3
257.07626	3.9
353.24802	13.6
371.25998	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	371.2579
Annotation	3-Oxochola-4,6-dien-24-oic Acid
Peak:m/z	Relative Intensity
51.86297	3.7
54.24267	3.6
55.05489	9.9
57.07056	4.0
59.89736	4.0
62.50321	4.3
67.05137	5.1
67.05497	98.3
69.07053	13.9
71.14774	3.8
71.48364	3.4
71.95096	4.2
79.05482	12.8
81.06594	8.3
81.07044	100.0
83.08618	9.4
91.05457	8.8
93.07041	19.4
95.08588	64.0
105.07017	9.1
107.04955	8.4
107.08593	12.2
109.10135	47.5
111.16534	4.8
119.08600	4.8
121.10193	7.2
123.10915	4.0
123.11685	21.1
133.06499	14.6
135.11638	5.6
137.13254	8.7
141.62921	4.7
147.04401	4.7
147.08064	10.4
151.03889	40.9
151.14790	4.8
157.06557	6.3
159.07968	4.6
161.05946	8.0
167.64041	4.9
174.29456	3.7
191.07089	9.5
270.86444	4.5
318.18188	4.4
326.37512	4.7
353.24704	20.9
371.25620	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	371.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42263	6.7
50.55779	6.8
55.01866	67.3
55.05499	25.4
57.03428	12.6
57.07064	92.3
67.05489	79.3
69.07057	36.3
71.04984	11.0
71.08620	19.3
73.30107	6.9
77.16809	9.8
79.05486	21.9
81.07061	52.5
83.04974	13.0
85.06538	43.7
87.86134	8.7
91.05468	20.1
92.97878	8.4
93.07047	11.7
95.04969	9.1
95.08595	58.7
96.03828	11.2
97.06515	74.9
99.08073	15.4
101.88391	9.6
102.67728	8.2
105.07037	19.3
107.04940	49.4
107.08577	16.0
109.10173	17.7
113.09628	14.7
116.48383	10.2
119.08611	11.2
131.08505	10.7
133.06473	100.0
144.05656	10.8
145.06464	61.9
147.08041	59.5
149.06017	10.8
157.06522	27.1
159.08025	24.1
161.06038	30.9
161.09686	17.8
173.09534	11.7
185.09630	14.7
287.20236	15.0
289.10739	11.2
319.89511	9.5
343.26288	10.2
353.24872	15.9
371.25931	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05304	3.6
55.05504	35.2
57.07058	8.7
60.04521	6.8
69.03419	6.4
69.46590	4.2
70.06578	60.1
72.08140	46.3
82.06557	12.0
83.04967	45.0
83.08601	11.8
84.04500	7.6
84.08117	12.7
85.02898	12.1
86.09693	37.0
86.42593	5.0
100.07606	41.8
100.11253	73.9
103.05447	7.3
105.07013	5.8
106.06550	17.3
110.07153	5.7
111.04427	48.6
115.08713	6.6
116.07083	15.1
120.08173	6.8
126.09099	6.2
128.07056	34.2
129.05455	6.9
129.10220	20.8
131.04918	32.4
140.07037	11.8
141.01845	14.6
147.04420	22.2
147.11632	5.3
179.95763	5.5
182.15384	75.9
210.14865	100.0
227.17537	18.6
241.90440	6.2
244.20280	12.8
295.11655	9.1
337.21323	35.4
354.23807	42.3
371.16699	40.1
371.26544	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	371.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16750	4.0
52.14703	4.7
52.80835	4.6
55.05275	4.4
55.05503	31.2
56.43929	4.4
56.78760	4.1
57.07076	13.0
63.30140	4.5
67.05500	66.9
68.90744	5.0
69.07053	56.5
71.05011	8.2
71.08625	7.3
79.05492	11.8
81.07046	85.2
83.08611	40.7
85.06557	7.4
91.71046	8.7
93.07055	12.9
95.08595	100.0
96.50876	5.5
97.10210	24.9
106.06526	30.4
106.53834	6.0
109.10144	36.0
111.11705	11.2
121.10188	11.0
123.11776	22.2
132.34447	5.6
135.11739	13.5
137.13312	7.1
149.13284	9.8
175.57346	6.2
192.28586	5.6
275.27408	7.8
317.32010	8.4
330.31592	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	19.6
59.04995	2.7
63.04494	2.4
66.75481	2.2
67.05482	7.1
78.95875	2.4
79.05501	3.6
81.07066	3.8
84.63367	2.5
85.06529	6.0
86.75377	2.3
91.05472	8.4
94.71478	2.7
95.04936	2.7
95.08607	7.6
99.95697	2.6
105.07030	8.9
115.35400	2.6
117.07064	2.9
119.01945	8.5
119.08592	9.9
124.02529	2.5
128.06284	4.7
129.06934	4.3
133.10124	2.8
135.04417	5.6
135.22507	2.9
136.04817	5.8
140.21928	2.7
142.03499	6.6
143.08574	8.6
147.08054	8.9
165.05058	5.0
170.70639	2.9
193.38892	2.6
203.14305	22.3
222.06122	6.5
231.13809	12.4
312.14420	9.1
328.31613	3.3
331.13913	11.0
349.14923	19.3
354.15485	6.2
372.16541	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18525	3.3
53.03940	26.1
57.07064	10.9
59.20330	2.6
67.05491	4.3
79.05489	5.8
81.03400	29.9
91.05480	4.3
91.55315	2.8
95.04952	13.2
102.71980	2.9
102.73839	2.8
105.07024	8.6
107.04962	6.0
129.06996	8.4
137.09599	10.3
142.03471	7.2
144.86092	3.3
145.48590	3.5
147.08049	8.7
165.05130	4.4
165.99445	3.4
203.14250	5.7
231.13739	11.6
276.27426	3.3
298.09103	15.3
300.14426	4.2
312.14438	15.2
330.15332	3.6
331.13892	15.3
332.31467	3.7
349.14859	15.3
354.15735	7.2
372.16562	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02378	4.3
64.95700	4.7
66.71230	4.1
68.30987	4.2
71.04611	6.9
71.04983	100.0
71.47208	4.4
76.00546	4.3
106.06541	28.9
221.16690	5.5
293.54800	5.6
302.28470	6.5
354.31305	32.6
372.32614	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1282
Annotation	3',4'-Methylenedioxy-2,4,6,beta-tetramethoxychalcone
Peak:m/z	Relative Intensity
55.01852	4.0
61.06345	3.3
64.12218	3.4
65.03941	9.7
79.05480	4.5
81.03413	9.7
91.05472	3.9
94.04146	3.9
94.45626	3.4
95.04918	4.2
103.05442	5.4
111.04423	3.8
115.05415	4.3
119.49160	3.5
129.07008	13.7
131.04933	4.6
135.04395	24.1
137.05972	42.0
139.03917	5.7
141.55743	4.0
143.04874	4.2
149.02324	100.0
149.03352	5.2
149.05876	4.1
151.03903	34.7
157.06454	12.3
161.05992	7.5
164.49573	3.8
166.67366	4.0
167.15141	4.9
173.05966	5.0
189.05464	7.3
189.09200	5.0
201.05443	16.2
251.07008	5.5
268.07272	5.8
279.06558	13.1
281.11588	5.1
283.09518	8.0
323.09299	4.5
325.10748	8.4
327.08392	7.5
337.10663	11.6
355.11725	71.7
355.15887	3.0
360.21951	4.0
373.12671	12.0
386.73447	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	373.128
Annotation	3',4'-Methylenedioxy-2,4,6,beta-tetramethoxychalcone
Peak:m/z	Relative Intensity
55.01861	16.6
57.01856	1.8
57.26998	1.6
60.04142	1.5
60.24165	1.8
65.03925	5.7
65.75879	1.7
91.05480	5.2
91.86614	2.0
103.05472	7.8
107.04964	2.8
117.07071	2.9
119.04958	14.9
121.02922	2.7
124.01324	2.0
129.07016	6.3
131.04936	11.6
131.08487	2.4
135.04405	49.8
137.05986	16.5
138.20940	1.9
139.03918	2.3
145.06477	2.9
147.04398	28.4
149.02342	100.0
149.03358	3.9
151.03889	5.9
157.06493	4.1
161.05975	5.3
173.05983	7.9
177.05457	44.1
187.07587	4.6
203.06984	2.9
219.08141	3.2
227.40851	2.4
233.08031	3.1
277.08636	2.8
281.01498	2.3
286.07904	2.2
337.10596	5.6
355.11752	28.9
373.21902	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	373.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62496	10.0
57.48965	8.2
58.27604	8.2
62.05350	9.4
69.82734	10.0
73.12069	10.1
88.01984	10.2
115.05424	12.6
119.04962	14.6
136.84453	9.0
137.05951	55.2
153.05389	10.1
173.06017	38.3
201.05383	100.0
265.08688	17.6
307.09747	24.1
325.10745	35.8
355.11719	14.4
373.18488	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	373.1279
Annotation	Glycosmisic acid
Peak:m/z	Relative Intensity
50.13848	4.6
55.81989	4.8
56.96215	4.8
68.45663	5.3
91.05508	6.4
93.07060	7.1
96.20521	6.2
105.07074	7.2
131.04910	11.1
132.87289	6.1
135.04446	13.9
137.05942	35.9
149.06026	12.0
151.03897	13.8
153.15106	5.9
160.26193	6.3
161.05981	21.0
167.06946	6.4
188.04730	20.9
193.06435	8.9
203.07053	26.5
221.06067	23.4
225.09120	15.0
235.07523	10.7
253.08667	18.7
261.18405	7.3
267.10220	17.9
277.08444	7.8
285.10938	10.1
293.27097	8.3
295.09634	19.3
304.92093	7.0
309.11169	18.5
322.08438	19.3
327.12216	100.0
337.10535	56.6
373.13074	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	373.1279
Annotation	Cerosilin B
Peak:m/z	Relative Intensity
55.01869	9.1
57.07072	3.4
57.82402	3.3
57.94358	3.2
59.05016	3.9
64.94917	4.2
65.03947	8.6
70.84383	3.7
73.99053	3.6
79.05499	7.2
83.70790	3.8
87.77300	3.9
89.81911	4.3
91.05462	81.9
93.43891	4.2
95.04938	7.0
96.70292	3.8
103.05502	4.9
105.03381	22.0
105.07034	7.7
107.04974	12.8
109.06528	13.3
117.20432	3.6
118.04168	7.7
119.04923	100.0
121.06503	5.7
121.84508	3.7
123.08057	8.5
124.05267	8.4
125.38841	3.8
133.06535	12.4
135.04446	6.7
137.06026	17.1
146.03642	6.5
147.04367	27.6
148.05283	4.9
149.02351	48.4
149.03419	6.2
151.03969	9.9
151.07526	51.7
161.06009	10.1
165.05444	9.5
176.04738	14.1
176.51283	5.5
179.07034	38.1
180.07794	5.6
193.04962	4.7
194.05786	5.8
200.59363	4.0
225.11392	4.7
331.24399	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	373.1281
Annotation	8-Hydroxypluviatolide
Peak:m/z	Relative Intensity
55.01853	8.0
65.03948	5.0
65.93300	3.5
67.15115	3.9
78.04659	4.6
79.05502	5.5
81.03401	3.9
83.81821	3.9
89.03940	7.9
91.05478	45.6
94.04185	10.1
95.04949	12.1
99.64800	3.8
102.04687	13.7
103.05470	23.1
105.03382	19.5
105.07027	12.2
107.04960	10.2
109.06487	7.8
115.05479	5.6
117.03329	10.6
119.04906	22.2
121.06477	13.2
122.03651	14.2
130.04138	31.2
131.04932	37.8
132.05649	5.2
133.02852	49.6
133.06485	6.3
134.03619	8.0
135.04443	14.1
137.02269	4.0
137.05971	100.0
145.02774	4.7
146.03659	7.8
147.04414	66.2
149.05974	30.2
150.06743	16.2
151.03946	8.9
161.02391	11.2
161.05981	24.5
162.06750	80.3
163.03922	6.1
163.07570	18.8
165.05463	95.2
165.06877	6.1
175.03841	5.5
177.05508	19.9
179.08624	6.4
193.04956	45.6
193.06493	5.7
206.07272	5.8
207.08093	9.3
235.07402	9.8
265.08627	6.4
323.09021	41.5
325.10620	7.4
355.11758	21.4
373.12906	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	373.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92842	1.4
53.40560	1.3
55.01846	2.3
65.03928	5.1
67.05484	4.0
79.05478	2.9
81.03399	6.2
91.05460	2.4
95.04968	4.1
108.02111	2.2
109.02888	2.1
111.04477	2.9
115.05450	3.3
117.06989	1.9
125.05991	1.9
127.53071	2.0
128.06255	3.1
129.07033	9.1
133.02821	1.8
135.04410	35.3
137.05960	16.4
141.05473	4.7
143.04915	4.1
147.04375	2.0
149.02306	11.4
149.06013	2.0
151.03906	100.0
151.04997	6.8
157.06509	9.2
165.05388	3.1
171.04395	5.4
173.05972	2.4
175.07539	2.8
177.05418	2.2
187.07574	6.1
189.05518	2.9
191.07021	4.5
198.15349	1.7
201.05568	4.3
203.07066	10.7
205.08472	2.5
213.05438	2.0
221.08092	3.5
243.32030	1.7
309.10974	2.3
322.56055	2.0
325.10742	6.8
337.10657	5.9
355.11798	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	373.1279
Annotation	8-Hydroxypluviatolide
Peak:m/z	Relative Intensity
51.60807	4.5
59.29011	4.9
59.61044	4.2
65.03937	5.2
70.14981	5.2
73.99599	4.6
76.68771	4.4
78.26126	4.8
79.05472	29.1
81.07038	9.5
89.03894	13.0
91.05475	27.0
91.70989	9.0
95.04959	17.4
95.08584	9.2
102.04675	10.8
103.05476	28.8
105.07039	18.0
106.04189	10.2
106.89982	4.9
107.04940	45.7
115.05478	7.7
117.03334	9.9
119.04922	20.4
121.06509	20.7
122.03629	6.6
124.05225	9.5
130.04143	25.6
131.04927	85.6
133.02843	31.9
133.06497	22.0
135.04433	50.8
137.05980	100.0
146.03664	15.3
147.04402	52.9
149.05960	53.0
150.06775	29.4
151.03925	9.0
153.05453	12.0
159.04391	8.2
161.05948	33.9
162.06769	73.3
163.03825	13.8
163.07523	31.0
164.78432	5.7
165.05487	12.6
167.07031	42.0
177.05515	22.7
178.06210	7.6
179.07069	5.9
187.03862	53.3
189.07069	8.3
193.04874	7.3
204.81326	6.4
207.08047	10.6
233.06018	9.0
235.07439	9.6
263.07053	8.9
277.08328	5.9
291.06607	8.6
293.08093	9.6
311.09164	19.8
323.09039	32.8
327.08688	15.0
341.10175	21.4
355.11807	12.8
373.19870	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	373.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82111	5.3
79.03818	5.2
81.07085	6.5
91.05470	17.1
91.71015	12.2
97.53294	5.0
107.20406	6.3
113.71602	5.4
119.04901	8.0
122.03619	11.1
122.21778	5.9
131.04958	9.0
137.06004	52.3
143.04875	6.2
147.04324	7.0
150.06761	11.4
151.03880	10.0
153.05508	12.4
173.05922	14.4
175.07591	6.4
182.07253	6.7
195.61969	7.1
201.05450	100.0
205.06461	7.9
219.06496	13.6
250.06207	10.0
265.08606	7.8
293.08240	9.0
307.09845	10.0
325.10553	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	373.1282
Annotation	8-Hydroxypluviatolide
Peak:m/z	Relative Intensity
55.01859	4.1
56.61721	2.4
79.05469	2.8
80.98064	2.9
81.07047	4.0
85.81935	3.1
91.05475	5.3
95.04932	2.9
96.29565	3.2
103.05458	5.4
105.07032	8.1
106.04144	4.4
115.05447	5.3
117.06914	3.5
119.04910	3.0
121.06494	4.4
122.03642	8.8
131.04938	6.1
133.06531	14.3
137.05975	100.0
146.03651	4.7
147.04349	5.1
149.02362	4.9
149.05965	13.8
153.05423	3.4
160.05135	3.5
161.05998	12.0
175.03996	3.8
176.23528	3.4
177.05486	17.8
177.06839	3.4
179.08479	3.8
184.15271	3.8
189.05478	3.8
201.05374	5.5
207.06590	4.7
211.30492	3.4
220.27394	3.1
222.06772	3.5
231.06589	5.4
250.06189	5.8
265.08563	4.3
276.71817	3.3
301.21649	4.1
307.09616	6.1
325.10770	11.5
337.10812	4.3
343.11719	7.4
355.11655	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31098	0.7
51.47773	0.7
52.20577	0.7
53.03924	1.3
54.65137	0.7
54.76334	0.8
55.01863	4.5
55.05518	0.7
57.07054	1.4
58.04012	0.8
59.85908	0.7
65.03932	5.0
67.05489	4.0
69.03408	1.5
69.07047	1.9
69.16872	0.8
71.01349	8.2
79.05489	4.5
83.01339	5.9
83.04980	1.6
91.05472	11.7
93.07032	5.1
95.04954	12.8
95.08597	2.0
103.05454	9.0
105.04472	1.1
105.07013	4.6
107.04932	10.1
108.02094	2.4
109.02851	1.7
109.06528	1.0
110.03670	1.2
111.04437	4.6
115.05453	2.1
117.07011	2.3
118.04168	5.5
118.06496	1.0
119.04912	4.0
119.08578	3.0
121.06490	8.7
123.04405	5.0
123.08050	1.4
124.05201	1.9
125.05991	8.6
128.06216	2.6
129.07042	2.6
130.07758	0.9
131.04915	5.6
131.08623	2.8
132.05664	1.2
133.02856	1.4
133.06493	2.6
134.06030	1.2
135.04399	13.5
137.05975	5.8
141.05479	3.2
141.06990	2.3
142.07773	4.3
143.08562	3.8
144.09346	1.2
145.06496	2.9
145.10101	3.9
146.03595	5.8
147.04398	14.9
147.07994	1.1
149.05986	5.7
150.06750	7.3
151.03899	100.0
151.04941	5.7
153.05450	9.3
153.06688	1.1
154.07825	1.4
155.08592	2.2
156.09259	1.3
157.06424	1.6
157.10126	4.3
159.08104	1.8
159.11711	2.6
160.05214	1.5
161.05963	8.2
161.09616	1.0
163.03851	6.5
163.07518	1.3
164.04631	1.2
165.05479	3.3
165.06822	1.6
166.06245	1.9
166.07718	1.0
167.06979	3.1
167.08481	2.1
169.06390	1.3
169.10118	3.3
171.08078	2.3
173.06010	1.6
173.09642	4.3
175.07527	2.1
175.11177	1.3
177.05461	18.3
178.06239	44.3
179.07028	6.7
179.08574	2.6
181.10168	1.5
183.08011	1.4
185.09572	4.9
187.03851	0.9
187.11156	3.4
189.09105	1.1
192.09337	1.2
193.10063	1.2
194.10954	1.6
195.06511	7.4
195.08076	2.1
196.07286	31.0
197.09634	3.9
197.13237	1.1
197.71230	0.9
199.07574	2.2
199.11108	1.2
201.09103	5.9
203.07028	7.2
205.04979	1.7
207.11749	1.6
209.09625	2.8
211.07544	2.2
211.11189	1.3
213.09195	2.2
215.10687	2.6
217.08559	2.0
221.07993	2.2
222.06844	1.0
222.10165	1.1
225.09100	4.9
225.12733	2.2
227.10632	3.5
227.14247	1.3
229.08644	2.0
235.11159	2.0
236.14365	1.0
237.08917	1.4
237.12672	2.4
238.09973	1.0
243.10202	1.9
253.08612	2.9
253.12225	3.5
255.10201	2.4
255.13795	1.5
265.08640	1.0
265.12161	2.6
271.09451	1.4
271.13300	2.9
281.11755	4.5
283.13281	2.5
285.10904	1.2
291.10278	1.6
299.12747	5.4
301.14133	1.1
309.08121	1.2
309.11258	4.3
311.12671	1.9
317.13739	2.2
323.09219	2.1
327.12262	7.4
337.10721	1.4
345.13361	2.8
355.11780	3.9
373.12750	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	373.128
Annotation	3',4'-Methylenedioxy-2,4,6,beta-tetramethoxychalcone
Peak:m/z	Relative Intensity
55.01885	1.6
65.03922	7.0
65.21685	1.3
70.29198	1.1
75.01469	1.1
79.05502	1.5
81.03409	12.7
91.05495	1.9
95.04991	1.8
103.05505	1.9
104.08885	1.5
109.06586	2.3
111.04459	1.6
113.87931	1.3
115.05489	4.1
121.02939	3.4
122.03663	1.9
128.06248	3.2
129.06996	12.4
131.04993	2.5
133.06552	1.8
135.04398	20.1
137.05965	27.7
139.03952	3.9
143.04921	2.4
145.06522	3.1
147.04428	2.3
149.02335	100.0
151.03902	14.9
157.06480	7.9
161.06010	4.0
163.03894	2.6
171.04436	3.7
175.07721	1.8
189.05571	6.5
189.09140	4.5
201.05417	13.0
203.06961	9.1
205.08650	1.9
207.07976	2.0
217.78969	1.5
219.06601	4.7
247.07478	1.8
259.07620	1.7
277.08844	1.6
307.09781	2.5
319.09808	2.8
325.10873	5.6
337.10880	4.2
355.11874	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	373.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80556	0.9
55.01854	3.4
65.03918	1.6
67.05485	1.9
78.04707	5.7
79.05490	5.9
86.19836	1.2
87.05008	1.3
89.03903	4.2
90.04681	2.2
90.92052	1.2
91.05479	15.7
93.07035	1.3
95.04961	13.1
102.04683	1.2
103.05464	25.4
103.06103	2.1
105.03390	14.1
105.07028	31.7
106.04167	52.5
107.04976	6.5
109.02866	3.0
109.06516	1.5
110.03697	1.3
111.53320	1.2
115.05457	9.1
117.03329	7.4
118.04160	14.3
119.04906	6.8
121.02872	1.4
121.06494	19.4
123.04431	4.9
128.06253	1.6
129.06989	3.7
130.04160	1.5
131.04918	22.6
131.35603	1.1
132.05746	1.8
133.02847	4.0
133.06482	57.8
134.03592	2.4
135.04402	6.6
137.05981	6.0
138.03120	2.5
141.05440	1.4
143.06070	1.7
145.06487	2.4
146.03638	7.7
147.04408	15.8
149.02332	12.9
149.05972	74.4
150.03087	3.6
151.03902	5.0
153.05458	14.7
159.08060	4.8
161.05959	35.7
162.06746	5.0
162.39658	1.3
163.03899	9.5
163.07520	9.9
165.05452	17.9
166.02560	1.5
166.06279	5.1
167.07005	1.8
175.07649	1.8
177.05464	100.0
178.06213	10.8
179.03439	2.2
179.07027	7.8
181.04932	7.5
183.06627	3.2
187.07527	4.2
189.05502	2.2
193.04976	18.7
195.06499	2.2
203.07043	1.6
207.08052	1.3
211.06055	4.3
215.07040	11.7
248.36026	1.4
277.08423	2.2
289.29654	1.5
323.09134	3.9
343.11792	2.4
355.11798	8.3
373.13510	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23972	7.5
53.31665	6.2
55.05527	7.5
56.96557	7.2
61.76061	6.3
63.46918	7.1
64.85058	7.1
67.05527	11.0
69.07067	26.5
81.07060	15.6
86.09716	10.3
88.95113	8.8
95.08620	14.6
100.58115	7.3
107.26887	7.7
119.01927	17.5
136.71138	9.3
142.03529	16.2
143.01938	38.2
161.03052	27.0
165.05209	10.9
176.61800	8.1
184.04567	100.0
189.56035	9.3
203.04001	32.6
244.06900	16.6
244.12193	10.1
250.58655	9.1
303.13474	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	373.1832
Annotation	17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate
Peak:m/z	Relative Intensity
56.46998	1.4
63.23025	1.2
84.08145	1.9
86.08845	1.2
88.40258	1.5
108.75928	1.5
128.87047	1.5
130.03140	1.4
135.47452	1.5
136.69276	1.4
165.65457	1.4
203.05211	2.0
345.88913	1.6
373.18323	100.0
374.18820	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1832
Annotation	17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate
Peak:m/z	Relative Intensity
81.32559	1.3
86.04524	1.3
119.74592	1.6
134.13174	1.6
142.79550	1.8
181.04907	2.7
193.86089	1.5
242.35489	1.3
373.18295	100.0
374.18451	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	373.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86652	1.6
60.40360	1.5
60.51287	1.5
61.76842	1.5
67.38270	1.7
69.87467	1.7
99.00573	1.9
113.61165	2.4
122.60792	1.9
123.04291	2.4
128.23001	2.1
134.04478	2.5
146.59973	2.0
155.17281	2.2
167.14879	2.0
174.90038	1.9
219.23050	2.1
285.05835	2.2
321.60522	2.6
373.14868	4.4
373.18335	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.9
56.05008	4.8
60.04501	1.4
69.07040	2.5
70.06584	6.9
72.08147	17.9
84.04492	9.8
84.08135	100.0
85.06479	1.3
86.09175	2.2
86.09696	38.8
101.10764	4.7
129.10237	68.5
130.15906	2.0
135.11557	1.5
143.11778	2.7
144.06561	7.6
147.04370	1.8
147.08031	1.6
148.04720	1.7
152.14331	2.0
161.09187	11.8
177.05447	2.1
185.16492	1.9
193.08620	1.8
193.12024	3.1
195.13551	15.1
197.16499	5.8
201.03680	18.7
203.03583	1.7
203.05252	6.5
203.13931	2.8
208.15919	1.4
223.11919	1.7
241.12807	2.2
242.06313	3.5
242.18625	5.4
244.14503	1.9
260.19580	1.6
269.15710	1.3
281.53860	1.4
292.78610	1.5
293.00400	1.3
295.02252	1.5
373.18307	92.8
373.28033	16.2
374.11981	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	373.183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54485	2.3
57.04158	2.3
58.00524	2.4
71.33085	2.1
71.52205	2.4
85.02906	3.5
91.71027	2.6
102.89867	2.6
123.82920	2.8
194.02748	10.4
212.03674	7.3
326.48160	4.3
373.18317	100.0
384.11719	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	373.2008
Annotation	ganschisandrine
Peak:m/z	Relative Intensity
53.00293	3.7
57.07067	100.0
58.06578	2.3
58.74801	2.0
60.37774	1.8
81.07018	3.1
85.06531	31.0
88.07600	3.9
97.02879	7.1
137.05975	3.1
139.07576	4.2
145.06447	6.4
166.89096	2.7
177.09126	4.2
178.53519	2.7
205.08578	3.6
229.12257	6.6
232.70410	2.6
237.70282	2.6
245.37253	2.6
247.13245	3.7
278.17474	2.9
289.14322	35.6
313.18097	2.6
338.90671	2.7
373.20016	37.4
373.24048	4.0
373.35159	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	373.2008
Annotation	ganschisandrine
Peak:m/z	Relative Intensity
51.77228	1.6
57.07067	100.0
67.49047	2.1
85.06528	36.1
87.58257	2.4
97.02895	5.9
107.17376	2.1
125.09615	2.3
137.05942	3.6
142.11339	2.6
145.06424	3.8
161.05988	2.2
187.07578	2.8
203.07106	2.4
205.08652	4.2
219.01494	2.5
229.12256	4.4
243.13647	2.3
247.13385	2.5
271.13254	3.6
287.57214	2.5
289.14349	27.0
355.19077	3.1
373.20084	47.1
374.36145	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	373.222
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
52.72295	2.3
54.86852	2.3
55.05497	3.8
57.07070	2.7
67.05489	7.7
69.03417	8.4
69.07037	5.0
69.99381	2.4
71.04990	4.2
79.05499	6.6
81.03394	3.4
81.07050	6.7
83.08604	4.2
85.02894	19.2
85.06551	6.8
91.05508	3.3
93.07046	12.0
93.18559	3.1
95.04936	4.3
95.08601	18.9
97.02902	4.0
99.04430	6.1
99.08090	100.0
101.46005	3.0
107.08613	8.3
109.10163	16.7
114.21065	2.7
119.08597	8.1
123.08054	5.7
125.09676	4.5
133.10149	4.7
135.11722	13.2
137.09624	9.5
139.57022	3.2
151.11148	3.4
155.10667	10.4
175.14836	6.8
193.15892	20.8
211.16917	33.8
343.79910	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	373.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00264	2.1
55.01863	2.2
55.05498	3.2
62.48863	2.0
62.60574	1.8
67.05487	2.7
69.03411	4.7
69.07054	6.7
70.06583	3.6
71.05000	2.1
72.08138	4.5
76.03377	1.9
79.05475	4.3
81.03384	2.5
81.07046	13.5
83.08633	2.4
85.02895	20.0
86.09678	4.4
91.05483	5.1
93.07045	8.9
93.35220	2.1
95.08607	20.7
97.02900	3.6
99.08060	5.7
105.07016	17.8
107.08587	13.5
109.10172	3.8
113.09617	4.2
116.27019	2.1
119.08572	56.5
121.10138	2.3
123.11720	2.9
133.10120	80.6
135.08046	4.0
135.11723	13.1
145.05035	2.9
147.11687	4.1
175.14807	100.0
188.22403	2.4
193.15906	9.0
211.16910	3.1
271.36008	2.5
360.90311	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	373.222
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
51.21200	2.0
55.05495	6.6
64.96024	1.7
65.07081	1.9
67.05492	7.9
69.03411	11.3
69.07059	5.0
70.06580	7.0
71.04989	7.8
72.08139	8.1
81.03412	4.2
81.07054	7.0
81.72756	2.0
83.04968	2.5
83.06100	4.8
83.08610	3.2
84.04517	5.3
84.08135	2.7
85.02901	22.6
85.06551	5.8
86.09709	20.0
91.05479	2.7
93.07030	7.5
95.04969	6.1
95.08607	19.3
97.02885	7.1
99.04460	6.8
99.08090	100.0
101.07223	2.3
105.07030	2.7
107.08572	6.9
109.10151	22.4
111.61310	2.3
119.08558	5.7
127.03920	3.3
129.06656	2.9
132.10208	4.4
133.10152	6.3
135.11684	13.3
137.09589	10.6
155.10652	17.2
175.14847	9.3
177.05537	4.6
193.15860	19.0
196.14392	2.5
197.13002	3.0
202.44727	2.3
211.16925	45.7
216.92590	2.4
274.55148	2.7
293.91504	2.1
373.18219	8.9
373.22287	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	373.226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	16.4
59.73938	3.1
70.43427	3.4
78.82056	3.3
93.19184	4.0
98.97585	17.2
116.98621	16.7
134.81007	3.6
134.99719	6.0
140.00226	13.0
149.64702	3.6
158.01277	7.6
181.02863	8.4
227.09622	11.5
238.10988	4.6
268.12244	6.2
270.13776	10.2
291.16095	5.2
307.15833	8.5
309.17502	18.9
311.18854	9.7
313.20450	8.4
316.10489	4.5
325.16812	11.9
327.18375	57.8
329.19919	19.6
331.21420	8.7
348.18460	7.1
350.20035	53.2
352.21527	26.0
354.23160	35.8
373.22595	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	36.8
55.05715	4.7
58.13129	6.0
66.74247	5.5
66.87383	5.8
69.07063	9.6
70.06568	6.0
79.28810	6.4
82.06589	6.7
83.04981	11.9
83.08592	30.0
86.09708	10.8
90.87719	6.2
100.07609	17.8
100.11250	75.0
102.75001	6.4
105.38801	6.6
111.04451	28.8
112.07635	7.5
118.75911	6.2
128.07072	18.6
128.15186	7.5
129.05507	8.4
137.05956	8.4
140.07083	12.0
155.09653	7.3
165.87369	9.1
167.23654	7.5
182.15388	90.1
210.14886	100.0
228.15887	39.5
337.21207	41.3
355.22330	43.4
373.18112	18.2
373.23145	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	373.2372
Annotation	Pelorol
Peak:m/z	Relative Intensity
55.05510	1.6
57.07072	1.3
65.03931	1.8
66.04691	0.7
66.36360	0.8
67.05496	4.8
69.07080	2.3
71.08624	1.3
81.06660	0.7
81.07045	4.2
83.08632	1.1
91.05476	11.4
93.07056	1.7
95.08601	4.7
96.75278	0.7
99.08170	0.7
107.08624	0.9
109.10194	3.6
119.04931	23.6
121.10169	1.4
123.04499	1.1
133.06541	1.5
147.04404	100.0
151.03983	1.0
165.05463	36.3
188.46796	0.9
211.30247	0.9
243.48570	0.8
373.27759	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	373.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.3
56.05014	3.3
56.05830	1.4
63.97097	1.4
69.07050	8.9
70.06572	9.8
72.08143	3.7
83.06097	45.0
84.04005	3.7
84.04494	52.8
84.08146	1.8
84.49413	1.4
86.09695	100.0
99.05582	2.5
100.11259	3.5
101.07146	7.5
109.58997	1.8
111.04427	3.1
116.07076	2.1
129.06583	26.2
129.07420	2.4
132.08133	1.9
132.10187	40.9
135.04486	2.1
137.05968	2.2
140.29420	1.9
141.06592	2.1
152.10719	5.3
157.13445	2.1
159.09180	2.6
169.13342	3.7
177.98511	2.0
182.15448	3.9
183.15788	2.3
187.08701	2.8
196.14450	31.8
197.12840	23.1
210.14902	2.3
211.15283	3.6
214.15515	13.1
224.13959	7.5
225.12384	3.9
242.14983	6.2
292.65015	2.1
335.72076	1.9
355.23407	17.2
356.22415	2.3
373.13269	8.3
373.18201	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	373.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33969	1.1
51.97423	0.8
56.05023	2.4
56.64587	1.0
56.96558	6.3
67.05492	2.1
69.07064	4.0
70.06582	15.4
71.06899	2.3
72.08142	9.0
79.05441	1.1
81.07037	1.5
83.06094	25.7
84.04497	29.9
85.02902	1.4
86.09698	100.0
91.05472	1.4
93.07019	1.2
95.08669	1.1
96.04497	1.5
98.97594	1.9
101.07133	4.3
102.05482	1.3
111.05528	1.0
116.98595	1.7
120.08049	2.2
121.37379	1.1
127.47702	1.0
129.06606	5.9
129.10255	1.3
131.11841	3.3
132.10199	23.1
137.05942	1.4
140.00212	1.7
141.06598	3.8
141.96974	1.1
143.11786	2.2
152.10719	3.4
169.13231	2.6
196.14438	16.7
197.12842	11.5
213.24023	1.1
214.15448	5.6
215.13919	2.7
215.93581	1.2
224.13997	5.4
225.12358	3.6
242.14967	9.1
243.13443	2.1
245.18631	1.5
252.09230	1.4
263.43915	1.3
288.95959	1.2
311.51282	1.3
353.84097	1.2
355.23563	8.1
356.22031	1.1
373.11838	4.6
373.18243	7.5
384.04266	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70592	2.5
55.05492	14.8
57.04664	2.4
57.07058	6.9
62.21473	2.4
67.05492	10.4
69.07052	19.0
79.05486	5.1
81.07055	18.1
83.08596	11.9
95.08590	13.4
97.10165	6.0
101.74989	3.1
105.03369	5.7
105.07020	8.0
107.04938	16.0
109.10145	4.0
111.11679	3.7
117.07063	3.6
133.06500	16.5
135.04462	5.2
140.30772	3.5
145.06482	9.6
147.08061	16.1
151.03899	100.0
157.06477	3.9
161.05969	13.5
173.09756	4.2
175.07567	5.5
179.07048	7.4
187.66425	3.3
216.68779	3.6
225.85370	3.6
337.25183	5.7
353.72104	3.3
355.26321	20.8
373.27386	7.7
374.30472	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	373.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	12.7
56.39830	2.1
57.07044	3.8
58.14455	2.2
61.75505	2.3
62.28606	2.2
66.61226	2.3
66.93828	2.2
67.05479	5.0
69.07050	9.5
78.74307	2.7
81.07037	9.4
83.08616	5.8
91.05465	2.8
91.14556	2.6
95.08581	5.4
97.10159	4.2
103.05436	4.3
105.07004	7.1
107.04981	6.6
109.10146	2.5
117.07016	14.1
131.04877	7.8
131.08594	3.0
133.06505	12.5
141.07019	3.9
144.05685	3.1
145.06461	46.6
147.08022	10.1
151.03902	43.4
155.05981	3.2
157.06456	3.1
158.26201	2.8
159.08046	6.2
161.05977	12.7
173.06017	25.9
173.09631	12.4
175.07611	8.3
177.05437	7.5
179.07014	2.8
187.07500	6.5
187.11154	3.6
191.07022	13.5
201.08975	6.0
249.35153	3.2
321.95291	3.3
355.26245	100.0
373.27283	23.4
377.40140	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	373.2736
Annotation	3-Oxo-chol-4-en-24-oic acid
Peak:m/z	Relative Intensity
51.67884	3.1
53.01405	3.2
55.05516	11.5
57.07064	3.8
67.05511	11.7
69.06770	3.1
69.07066	22.8
69.08362	3.7
71.98346	3.7
80.42867	3.9
81.07062	11.0
83.08643	12.6
93.07067	4.2
95.08611	11.0
103.05428	3.8
105.03419	4.6
105.07059	8.2
107.04969	13.4
109.10186	5.7
113.70744	4.5
117.07049	9.7
125.00691	3.8
131.04875	4.8
131.08592	4.9
133.06541	14.6
145.06560	17.7
145.22269	4.8
147.08101	9.2
151.03896	100.0
151.05029	6.2
159.08089	5.0
161.06035	7.2
162.08635	5.0
173.06085	15.6
173.09703	11.5
175.07603	10.2
177.05478	10.2
179.07057	6.4
191.07137	12.9
355.26270	57.4
373.27328	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	373.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20839	6.6
55.05498	23.6
57.06850	7.3
57.07069	88.8
61.79274	6.6
67.05478	37.4
69.07056	19.8
71.08613	11.4
79.05487	9.6
81.07054	33.8
83.08615	9.7
85.06537	55.9
85.10153	12.5
88.69917	6.0
91.05456	13.4
91.71687	15.7
95.08598	20.1
105.07042	12.0
107.04961	100.0
109.10151	12.4
113.09631	7.9
121.06480	16.6
131.05006	8.0
131.08580	11.5
133.06456	73.1
135.04405	16.1
135.17799	6.7
144.05688	7.8
145.06493	62.6
147.08031	32.4
151.03876	16.8
159.08046	32.9
173.09569	15.9
188.73491	7.0
289.21671	21.9
306.48376	7.4
355.26089	15.9
358.02518	8.0
373.27347	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2735
Annotation	3-Oxo-chol-4-en-24-oic acid
Peak:m/z	Relative Intensity
55.05501	10.6
56.65432	1.3
57.07066	4.0
62.73162	1.5
67.05493	11.5
69.07058	16.9
71.08627	2.4
81.07045	10.5
83.08615	12.3
91.05472	12.6
92.05820	3.1
93.07092	1.6
95.04958	1.5
95.08604	7.8
97.10164	8.0
103.05473	2.1
105.03417	5.5
105.07058	4.3
107.04966	7.8
109.10205	4.8
111.11784	1.6
111.90504	1.7
117.07019	5.6
119.08575	2.3
123.11740	2.0
131.08614	2.5
133.06491	8.6
134.53001	1.4
135.04466	2.6
145.06445	13.8
147.04436	2.9
147.08041	8.7
149.05972	1.6
151.03893	100.0
159.08121	5.8
161.05969	8.0
165.05484	2.6
171.08182	2.2
173.05960	7.5
173.09700	5.1
175.07616	6.9
177.05536	5.6
179.07077	6.5
180.47389	1.6
182.04564	1.6
183.08125	2.0
187.07591	2.9
191.06990	10.1
193.08658	2.7
199.11154	2.0
201.09230	2.1
201.67343	1.5
337.25128	2.4
355.26315	44.1
373.27353	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	5.0
55.05516	27.2
57.07071	75.7
67.05499	44.1
69.07049	43.1
70.92254	4.4
71.08620	39.6
71.57825	4.2
79.05477	12.8
81.07044	36.1
83.08604	24.4
85.06524	34.6
91.05467	25.5
93.07050	13.6
95.04980	6.3
95.08592	37.7
97.10158	7.1
99.08096	28.8
105.07034	28.9
107.04947	100.0
107.08602	6.2
109.10159	18.9
111.11725	7.0
113.09636	6.6
117.07030	11.0
119.04952	25.3
119.08549	6.9
121.06504	16.5
121.10126	7.6
131.04958	9.3
131.08601	12.6
133.06482	94.2
135.04451	15.7
143.77548	5.2
144.05814	7.1
145.06474	80.8
147.04398	91.2
147.05478	6.2
147.08063	51.4
151.03888	46.6
157.06444	7.8
159.08066	41.7
161.06012	15.5
161.09648	14.7
165.05438	34.0
173.09633	11.4
187.11111	6.8
245.62251	5.9
275.20078	7.2
289.21481	7.9
296.03467	6.8
345.27658	7.0
352.83994	5.4
355.26370	18.4
373.27402	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	373.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52135	0.7
55.05506	1.3
56.05036	2.9
60.04519	1.0
60.55441	0.6
67.05522	1.0
69.03420	0.8
70.06586	5.9
72.08157	8.4
79.05504	0.9
82.06586	1.8
84.04539	1.4
84.08132	100.0
85.08469	1.0
85.65767	0.8
85.92149	0.8
86.09699	16.9
91.05519	1.7
95.04986	1.0
101.10802	3.6
106.85676	0.8
110.07181	0.8
111.09226	1.3
123.04465	1.3
127.03920	0.9
129.10234	53.7
132.29219	1.0
144.06635	1.4
146.11783	0.8
147.04462	2.3
148.04852	1.2
152.14397	1.5
153.01884	1.0
173.06088	1.0
178.05266	1.1
179.03383	0.8
183.15067	1.1
191.07027	2.2
194.08171	2.0
197.16580	2.9
222.07555	4.7
225.16164	1.0
228.17096	1.1
236.45212	0.9
242.18544	5.1
245.18646	1.5
251.11003	0.8
300.24774	0.8
365.20850	1.0
373.14154	1.1
373.18317	19.7
373.28009	16.2
374.12247	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	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.9
57.03427	2.0
58.09894	1.0
61.02899	1.2
69.03426	7.2
70.06580	1.1
72.08140	3.1
72.81480	1.0
81.03407	1.7
84.04514	1.7
84.08141	2.8
85.02895	22.5
86.09695	8.8
89.03902	7.5
91.03951	1.5
93.07343	1.0
97.02888	4.9
99.04493	1.5
109.02922	1.4
117.03383	13.7
123.03415	1.0
127.03943	3.6
129.10254	2.2
134.03664	2.4
135.04439	1.7
145.02841	30.2
145.03958	1.7
145.04941	3.2
149.05974	8.3
153.05478	1.2
153.14566	1.0
158.06039	3.0
158.46291	1.0
161.58624	1.2
162.03221	1.5
162.07607	2.5
163.03876	3.2
167.83421	1.1
177.05461	100.0
180.08676	2.1
185.16574	2.9
185.20111	1.1
186.05515	12.8
195.06517	46.0
213.16011	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Prochlorperazine
Peak:m/z	Relative Intensity
50.38322	1.3
52.64713	1.2
53.80852	1.3
56.05025	1.5
57.37232	1.9
67.05476	1.8
69.03418	8.6
69.07044	3.8
70.06580	9.0
71.06888	2.3
72.08148	2.5
76.02225	3.2
84.04472	4.3
84.08119	6.0
86.06049	2.6
86.09701	73.0
87.04458	44.0
91.71695	2.0
94.05977	3.8
94.06557	61.3
95.04960	3.9
95.90759	1.8
98.06003	1.8
112.07587	20.0
122.02700	2.8
130.04977	4.7
130.12111	1.9
138.05396	2.0
147.07669	4.4
148.05998	2.3
153.05582	2.0
161.06015	1.9
162.09160	2.7
163.07510	3.0
180.10168	19.5
189.03934	2.0
189.05490	3.4
189.09068	3.2
198.11250	38.2
198.33273	1.9
199.18028	14.9
207.10135	3.7
227.17606	5.3
235.09647	2.7
240.71297	1.8
244.09576	2.6
261.14471	3.4
276.60965	2.2
333.62717	2.3
353.30865	2.2
356.13345	5.1
374.14420	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
61.02930	0.9
67.02559	0.6
69.03420	3.4
69.27682	0.6
70.06607	0.8
81.03401	1.0
83.22097	0.7
84.04498	1.0
85.02896	10.1
86.09697	4.5
94.04156	0.9
97.02861	3.6
106.24883	0.9
121.50161	0.7
122.03644	2.3
127.03896	1.4
137.05975	100.0
138.06346	1.0
145.04948	2.3
186.36479	0.9
195.10208	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	374.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	49.4
65.03108	3.1
71.95245	4.1
79.16602	4.0
79.43140	3.5
81.07027	3.6
91.57367	3.4
97.99142	5.1
109.83780	3.4
110.97535	6.9
128.98647	12.8
146.99670	11.1
152.00153	6.4
170.01277	10.3
184.02850	5.0
193.02922	9.9
194.61400	4.8
209.46132	3.9
214.48012	4.2
251.24220	4.4
315.16327	34.1
333.17285	35.5
351.18362	12.9
356.18954	100.0
374.20007	28.9
397.21671	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2284
Annotation	Ile Leu Glu
Peak:m/z	Relative Intensity
52.07313	0.6
53.64412	0.7
56.05026	0.8
56.96560	1.1
60.04506	2.1
66.52686	0.7
69.07063	4.3
70.06583	22.8
72.08150	2.0
78.97292	0.6
81.88055	0.6
84.04498	3.5
84.08124	1.1
86.09698	100.0
87.10104	0.7
92.13483	0.6
92.47807	0.7
102.05523	1.6
113.22179	0.8
115.37657	0.8
121.67959	0.7
130.05043	1.9
139.03908	1.2
148.06042	6.7
161.09209	1.2
199.18036	20.3
227.17493	11.1
261.14365	3.6
331.15784	0.7
374.12714	1.0
374.18060	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	374.2286
Annotation	Glu Ile Leu
Peak:m/z	Relative Intensity
56.05015	1.6
69.07057	6.7
70.06568	1.2
71.85761	0.8
84.04496	27.5
84.05005	1.5
85.04856	0.9
86.09699	100.0
87.10034	3.4
88.04006	0.9
93.07050	0.9
102.05534	10.2
129.06599	9.5
132.10202	27.8
141.06535	1.1
141.91612	0.9
167.79997	0.9
170.11784	3.4
197.12856	13.9
197.14575	1.2
215.13910	22.8
225.12344	3.4
243.13161	5.5
243.15607	1.4
245.18742	1.0
303.24661	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10779	2.7
55.05497	10.0
55.44365	2.7
56.05021	10.4
56.96535	4.4
60.04519	100.0
60.04828	5.2
61.02948	3.0
66.16462	3.6
67.05503	36.8
69.03379	4.4
69.07068	6.2
69.11950	2.7
70.06575	11.2
71.04973	4.3
79.05476	13.6
81.07045	36.4
83.08610	8.3
84.96024	3.2
86.09570	3.5
89.41410	2.8
91.05466	7.6
93.07019	18.9
95.08599	25.6
98.97588	4.2
99.39486	4.2
100.97541	3.1
103.95100	3.0
105.07023	4.1
107.08645	5.8
109.10152	9.1
121.10139	13.0
133.10181	4.0
135.11658	5.1
165.84618	3.4
221.73900	3.5
252.23239	5.9
266.24667	5.4
278.24780	15.0
296.25845	36.1
314.26801	20.6
334.08014	9.2
353.87241	3.7
356.27914	20.5
374.28961	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	374.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	1.7
70.04623	1.5
70.35874	1.6
71.54441	1.9
83.94685	2.2
91.05367	2.0
91.71761	2.4
95.59644	2.2
99.58376	2.4
106.93868	2.0
137.26608	2.0
173.23409	1.9
183.66193	2.3
277.58038	2.1
280.80127	2.1
374.30264	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22341	3.0
83.82180	2.9
96.68483	3.3
108.96771	3.2
130.11009	3.4
160.59337	4.2
181.88028	3.7
221.58965	3.5
238.49214	4.0
291.24249	3.4
374.30280	100.0
386.77817	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.5
57.07051	2.9
60.34157	2.7
69.07073	3.8
77.26187	2.9
91.05474	18.8
92.05840	3.4
101.14967	2.7
104.38486	2.9
106.06546	40.0
107.07330	86.8
107.07986	5.8
120.08101	21.7
130.26923	3.5
132.08086	65.5
133.08929	7.6
134.09644	22.3
146.09637	31.5
160.11247	9.2
174.12785	7.2
178.08644	4.0
301.27728	9.8
314.28476	4.8
328.29938	100.0
343.96780	3.8
366.41492	3.5
374.30472	71.5
374.34982	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92281	4.4
55.05508	9.5
57.07087	5.2
58.54284	5.3
59.23800	4.4
89.48685	6.7
91.05500	15.9
94.06598	9.0
103.38932	6.3
106.06552	39.1
107.07361	16.8
118.06585	8.2
119.07359	9.3
120.08101	31.2
132.08095	50.4
133.08940	6.4
134.09692	18.2
139.09544	6.8
146.09714	9.9
150.09186	8.4
221.13950	7.2
237.83429	6.7
244.67851	7.6
306.84659	7.8
356.33063	19.1
374.34122	100.0
385.00275	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	375.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38317	3.8
56.05022	5.7
56.96553	4.3
58.50108	3.3
60.04512	6.7
69.07043	5.4
69.83479	3.9
70.06572	12.2
72.08145	39.7
74.14773	3.8
84.04489	22.3
84.08141	10.2
85.02875	5.8
86.09694	100.0
87.04453	13.8
87.10033	9.4
88.04010	5.3
90.05590	5.2
91.05460	8.7
94.06564	16.8
101.07108	4.7
102.05502	8.3
112.07619	10.2
113.07895	4.2
113.20459	4.4
116.07049	5.1
122.93855	4.9
127.07578	5.2
132.10211	5.7
137.05966	71.1
141.06570	4.8
142.03519	6.2
143.11765	6.0
145.07155	4.9
151.03949	5.6
159.07648	13.6
161.05986	17.0
168.08659	6.7
173.06549	22.2
175.07558	8.7
178.07166	4.8
180.10274	6.4
189.12300	9.2
191.07397	7.1
196.08127	24.1
199.11571	6.7
199.18036	12.1
200.18404	5.8
203.07054	17.1
210.09792	7.4
219.09807	16.4
221.08162	9.0
227.17603	7.9
241.12943	9.3
251.11197	13.0
257.45837	5.3
264.14539	22.7
269.12326	7.1
280.13968	14.6
292.13922	36.9
308.13376	6.1
313.11340	14.4
336.12943	11.0
354.14059	10.4
374.14368	14.7
375.14905	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04498	6.0
68.82014	2.3
69.07046	2.1
70.06581	6.2
72.08153	8.6
80.33087	2.0
84.04488	5.2
85.02903	4.1
86.09698	14.3
95.25204	2.2
124.03069	2.6
126.84801	2.5
128.81737	2.5
129.52176	2.5
132.47992	2.4
136.12035	2.8
146.73778	2.2
163.03027	2.2
183.11116	2.9
213.07326	100.0
218.53026	2.6
243.73372	3.0
294.58182	2.9
375.12540	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04464	2.8
53.41384	2.9
56.96552	3.3
57.03421	13.9
59.50560	3.8
63.87455	2.7
79.05483	5.3
95.04961	8.0
100.40720	3.5
107.04926	10.3
118.04150	4.2
118.06529	3.7
121.06481	9.0
123.02635	4.6
125.05946	5.2
133.02863	5.2
133.98836	4.2
135.04434	9.6
137.05974	12.6
146.03664	5.5
147.84717	4.1
149.05994	17.0
150.06740	7.0
151.03906	100.0
151.05029	7.0
163.03893	4.6
165.05519	5.8
167.07036	8.9
168.37521	3.6
177.05452	6.3
178.06169	22.4
181.08461	4.7
195.06508	4.8
196.02837	4.4
196.07291	16.4
239.68649	3.7
261.48431	3.8
274.30872	4.2
325.10486	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	375.1437
Annotation	Vladinol D
Peak:m/z	Relative Intensity
63.42033	1.1
65.03929	2.8
67.05490	3.2
68.95966	1.5
81.03408	10.9
87.61646	1.4
91.05473	2.2
95.04967	1.9
108.02086	3.6
111.04454	1.9
115.05516	2.3
115.52348	1.5
119.69473	1.5
122.03599	2.4
123.04402	1.7
125.06002	1.8
128.06213	1.9
129.06966	8.7
129.60750	1.5
130.45847	1.4
131.04929	2.1
137.05971	39.2
137.06956	2.8
139.78214	1.5
141.05473	4.9
143.04903	3.7
147.08130	2.0
151.03899	100.0
151.04997	8.1
153.05437	2.7
157.06445	7.2
160.05141	1.9
161.06027	2.2
161.09697	2.3
165.05522	1.6
171.04417	3.6
174.06839	2.9
175.07564	2.6
184.93097	1.6
187.07579	2.0
189.09109	7.6
191.07040	4.6
203.07007	17.0
205.08475	2.7
206.83128	1.3
221.08157	3.7
224.84169	2.2
233.08121	4.6
262.13058	1.6
286.08472	2.0
307.09610	1.9
327.12234	5.4
339.12253	4.9
357.13330	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	375.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68734	0.6
70.98110	0.7
72.97297	0.7
79.05492	0.7
81.07068	1.1
89.79378	0.7
91.05495	1.5
94.04192	3.9
95.05050	0.7
96.21515	0.8
100.80415	0.8
103.05443	1.3
109.06588	0.8
115.05470	1.8
121.06494	1.1
122.03634	8.8
124.85702	0.8
131.04918	1.8
137.05966	100.0
143.04872	1.3
149.06009	0.8
151.03931	0.9
151.07574	1.5
161.05969	4.1
165.07008	1.7
175.07584	2.3
179.08591	1.0
191.07126	2.0
195.09267	5.3
203.07101	2.2
205.06541	1.4
207.08199	1.2
209.08049	1.1
213.10283	2.2
221.06100	1.8
235.07642	1.6
237.09056	1.2
238.06296	1.1
249.09062	1.2
253.08661	1.7
263.07108	0.9
265.08701	2.2
277.08502	1.9
285.11270	2.3
286.88513	1.0
294.08875	1.4
297.11307	2.5
309.11282	2.9
327.12543	1.0
345.13474	2.1
375.15375	1.1
375.19858	2.9
377.97168	0.9
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	Unknow
Peak:m/z	Relative Intensity
53.16793	3.0
61.96511	2.7
63.14236	2.9
76.71226	3.7
85.02925	4.1
87.37800	3.1
93.38754	3.5
94.04164	3.4
99.24905	2.9
107.84011	3.2
122.03659	7.5
137.05966	100.0
190.89780	4.0
259.43341	3.7
277.08633	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	375.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81631	4.7
55.01876	4.5
69.84120	4.5
76.71013	5.7
80.78674	5.0
101.00806	5.8
102.88002	6.1
114.21629	5.0
117.90807	5.0
160.38982	5.0
163.04047	5.3
167.03493	8.5
174.91624	5.9
175.34262	5.1
194.07399	5.9
195.06552	15.4
214.42603	6.3
375.15634	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49597	1.0
55.05497	5.1
56.05013	1.4
57.41748	0.9
60.04510	7.3
70.06577	3.0
72.08147	62.1
84.04482	2.2
84.08123	3.8
86.06136	1.2
86.09697	100.0
87.05582	4.1
87.10053	1.6
91.71117	2.1
100.07713	1.3
100.75747	1.1
111.09199	1.5
128.10718	2.0
129.10234	3.4
130.38011	1.5
156.22194	1.4
159.11234	5.8
169.09761	2.3
173.12845	20.1
187.10808	5.3
189.12341	23.1
191.07158	2.2
201.12369	7.7
208.09615	2.3
222.74150	1.4
276.15543	4.2
282.18127	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	375.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
79.82223	5.8
102.59606	6.0
129.73070	5.7
151.03938	13.7
164.85170	6.8
184.64243	6.4
229.06970	6.7
242.80006	8.9
258.51245	6.2
375.25043	100.0
387.06317	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	375.2891
Annotation	Irisquinone A
Peak:m/z	Relative Intensity
50.63285	2.4
55.05476	2.7
57.07046	4.5
69.07055	9.1
71.08612	3.1
75.60320	2.8
79.05437	3.5
81.03262	3.2
81.07081	2.9
83.08596	2.9
85.10202	3.4
85.58951	3.2
91.05464	34.5
92.05815	4.9
97.10178	4.2
105.03390	6.7
105.07038	7.9
107.04954	7.9
124.94895	2.9
133.06477	6.9
145.06444	5.5
147.08060	8.3
151.03893	100.0
151.05072	5.3
161.05965	7.2
179.07001	8.0
214.31366	3.6
357.27841	13.0
375.28827	12.2
375.33926	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	375.289
Annotation	Irisquinone A
Peak:m/z	Relative Intensity
51.61244	1.4
54.96916	1.3
55.05490	2.9
55.98383	1.4
57.07059	3.6
65.53568	1.3
67.05474	1.6
69.07054	4.1
71.08617	1.8
74.13946	1.6
79.05423	2.0
83.08598	2.5
91.05463	4.0
95.04977	1.6
105.03386	6.9
105.07012	5.2
107.04929	7.9
109.74757	1.7
110.22214	1.4
113.10729	1.7
115.05406	1.7
117.07019	3.2
121.06585	1.8
131.08563	2.8
133.06476	10.0
135.04430	2.6
145.06502	2.1
147.08080	8.9
151.03897	100.0
159.08055	2.2
159.56908	2.2
161.06015	3.8
165.05496	1.8
175.07570	6.1
179.06998	8.8
179.12427	1.6
279.82043	1.9
322.04581	1.7
357.27905	8.5
375.28864	12.0
385.98199	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	375.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	34.5
65.21165	6.3
67.05498	98.5
69.07057	35.3
71.22034	6.7
79.05492	26.2
81.07040	97.6
83.08606	19.0
91.05476	28.0
93.07035	18.7
95.01331	25.6
95.04993	10.0
95.08599	100.0
97.10178	10.5
105.07048	27.7
107.08572	13.5
109.09355	6.2
109.10158	32.6
117.07038	12.7
119.08583	38.1
121.10160	18.6
123.04420	25.5
123.11726	14.0
131.08571	12.5
133.10133	29.5
137.13292	11.6
145.10037	12.4
147.11684	23.5
151.03867	20.4
161.13211	12.8
165.09093	8.5
253.82108	8.1
375.28580	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	27.0
57.07066	10.4
67.05498	100.0
69.07056	58.7
70.20094	4.9
71.81924	4.9
74.84498	4.6
75.24950	4.6
77.60171	5.2
79.05481	25.4
81.07045	92.6
83.08604	26.0
91.05473	19.4
93.07041	33.2
95.08610	88.0
97.06519	28.7
97.10172	17.0
105.07024	16.0
107.08593	16.6
109.10120	31.8
119.08578	15.4
121.10097	29.3
123.11708	19.0
133.10158	11.8
135.11694	16.9
135.23393	6.6
147.11691	7.8
149.13315	8.3
151.14757	6.3
161.13298	7.0
322.81366	6.3
333.31494	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61184	2.0
54.45214	1.9
59.87239	2.2
70.06586	5.1
72.83766	2.8
85.02892	4.7
90.45140	2.4
91.03436	2.1
91.05407	2.4
94.50089	2.4
95.04919	2.7
110.37262	2.3
117.07025	4.3
121.06526	4.0
131.43324	2.3
135.04399	6.6
135.08032	6.3
136.07590	3.8
136.61304	2.6
137.05971	6.5
139.03886	30.8
143.73624	2.8
151.03932	4.4
163.03905	11.0
163.07535	13.7
173.05978	8.8
179.07018	8.3
190.08588	14.5
191.07039	60.5
192.11008	2.7
203.07095	4.6
208.09662	100.0
209.10091	2.9
341.10349	5.2
358.13251	3.7
359.11264	3.0
376.13873	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	376.139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61819	1.7
52.75131	1.5
54.11685	1.6
55.01873	2.3
61.67085	1.8
61.73660	1.9
65.83735	1.7
67.05469	2.1
68.99788	2.8
70.06580	5.0
74.35118	2.0
81.07089	2.4
91.05431	2.4
95.04987	2.7
97.42443	2.1
100.24610	1.9
100.99584	1.9
103.15452	2.0
105.07028	2.4
107.04961	5.4
107.69880	1.9
108.14406	2.5
117.07005	4.3
117.63626	1.9
121.06482	5.7
131.87592	2.0
135.04417	2.6
135.08092	3.7
139.03899	24.3
145.06499	3.8
149.05943	2.8
151.03853	2.6
163.03909	10.6
163.07535	12.4
173.05998	9.7
179.06963	5.9
180.13914	2.7
190.08588	14.4
191.07031	62.1
203.07082	5.3
208.09682	100.0
215.54868	2.5
222.11143	2.6
341.10294	3.4
358.12656	2.8
376.13818	26.5
386.24963	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	376.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87067	7.8
59.03995	7.7
60.04495	6.9
66.36444	8.1
71.24230	8.2
85.02899	18.9
86.09631	10.1
91.05482	20.1
95.04967	13.2
102.04707	17.1
107.04922	13.4
111.04496	10.9
119.04952	29.4
121.06510	24.6
123.04427	26.2
130.04141	34.8
131.04918	69.7
133.02808	18.7
133.06432	18.9
135.04445	27.4
137.05988	100.0
146.08559	10.1
147.04399	77.9
149.06020	27.6
150.05603	13.5
150.06783	44.2
151.03914	11.0
161.05962	53.9
162.06703	97.4
163.07564	45.4
176.07062	11.9
179.07016	24.5
180.07803	13.5
181.79941	10.5
184.56902	9.7
195.08118	9.9
197.08022	18.3
205.04932	19.3
207.07996	11.2
248.94595	10.1
283.09421	16.1
299.09357	11.9
309.07489	15.3
326.10437	14.9
330.13385	47.7
341.10135	18.9
359.11292	17.3
376.13855	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75284	2.3
66.81322	2.2
70.06605	5.6
73.28757	2.4
75.39336	2.4
76.65703	2.5
80.56828	2.3
81.07042	2.8
85.12443	2.3
89.99216	2.2
91.71084	2.6
93.07053	3.1
95.04984	3.4
100.92249	2.8
104.44243	2.6
105.06993	2.4
107.04951	4.1
115.05474	2.7
117.07011	5.7
135.04427	6.1
135.08029	4.2
139.03889	33.9
145.06404	3.0
149.05966	2.8
151.03926	2.8
163.03891	10.5
163.07552	14.8
168.74699	2.5
173.05977	10.5
179.07027	6.6
181.04927	3.2
190.08624	15.6
191.07024	67.6
203.07059	3.5
208.09674	100.0
341.10156	4.6
359.11411	4.5
376.13815	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22620	1.2
52.98681	1.2
53.03942	1.4
53.62995	1.3
55.01854	2.4
57.03420	1.8
60.04512	2.2
61.02903	3.0
61.72320	1.4
69.03410	7.5
70.06574	2.8
79.05475	1.4
81.03419	2.4
85.02893	26.1
86.09699	3.6
87.21788	1.4
89.71421	1.5
91.19074	1.4
94.14389	1.6
97.02887	7.3
103.02072	1.6
109.02853	3.0
109.31999	1.5
127.03930	4.7
127.05077	1.7
132.88901	1.5
137.05971	100.0
139.03891	6.1
145.04968	4.7
163.03865	1.9
163.07550	3.0
179.07002	36.8
180.08687	3.1
190.08714	3.0
191.06990	15.8
197.08057	3.7
203.07216	1.8
208.09651	24.6
364.53067	1.9
376.13983	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	376.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43147	1.4
55.83930	1.3
60.40356	1.4
62.54944	1.4
73.69962	1.6
81.07075	4.7
84.55479	2.0
85.02943	2.8
85.06533	100.0
93.07044	2.2
97.02894	1.9
97.06588	1.9
105.07078	5.6
109.06548	4.8
122.66086	1.7
133.10178	6.6
148.48987	1.9
151.38828	1.9
161.09714	7.1
179.10706	5.1
180.39838	1.7
197.11728	17.0
312.55038	2.0
321.89108	1.8
389.52905	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	376.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10086	9.6
55.44444	11.1
60.04502	11.2
67.05482	19.8
69.07065	27.0
77.80488	10.5
79.05479	15.9
81.07041	39.8
82.06559	13.9
84.04507	11.3
86.13763	13.5
91.05489	19.4
91.71629	12.7
92.23226	10.6
93.07038	17.7
94.60876	10.6
95.08575	14.1
98.62483	11.8
105.07018	69.7
105.82313	12.6
108.03044	11.0
114.01901	20.7
119.08579	55.9
131.08563	21.6
133.10130	28.5
145.10156	34.8
159.11731	26.3
175.14812	51.3
201.16379	74.0
376.21234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45563	3.3
54.10255	3.6
55.71521	3.6
56.96341	3.5
56.96561	39.2
63.40779	3.6
67.05486	6.4
78.44889	4.4
81.07021	6.6
97.99180	4.7
111.94402	4.7
119.01514	4.6
128.98628	9.9
132.30951	4.6
146.99666	9.9
157.67616	6.1
170.01309	6.3
192.06616	4.6
193.02835	5.8
194.04810	4.8
209.38533	4.8
230.35780	4.7
317.17926	18.2
335.19009	33.3
353.19974	10.1
358.20447	100.0
359.20825	5.9
376.21616	27.8
399.23163	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	376.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62257	0.8
57.07071	59.1
58.89183	0.7
59.69645	0.8
102.57081	1.0
108.04475	1.3
124.08732	1.8
125.07108	6.3
126.05492	6.1
153.09848	1.1
153.10954	1.2
163.80600	1.2
164.58568	1.0
191.11803	1.6
208.14438	3.6
209.12837	12.5
218.12878	5.4
219.11382	2.6
243.13722	1.1
275.17590	8.6
292.20111	10.3
293.18430	5.9
302.18561	19.9
358.24829	1.7
376.25912	100.0
377.26151	2.0
394.26968	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	376.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04838	2.8
55.05514	13.6
56.05031	7.5
57.07077	3.9
60.04516	100.0
67.05496	33.3
69.07069	12.8
70.06598	16.0
79.05505	12.4
81.07043	45.7
82.06575	4.5
83.08624	10.0
91.05511	10.7
92.80460	3.2
93.07037	17.4
95.05024	3.7
95.08600	39.9
96.08129	3.9
97.10165	4.5
105.07030	6.7
107.08615	9.8
109.10172	12.1
112.19507	3.4
119.08664	4.0
121.10183	12.4
122.23410	3.0
135.11703	4.4
147.11842	3.6
250.25351	4.4
262.89844	5.0
280.26376	8.4
287.51489	3.8
296.25842	5.0
298.27734	4.9
322.27478	12.0
340.28430	17.9
358.29492	36.5
376.25592	7.2
376.30499	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03444	4.5
51.77013	3.5
52.32927	3.9
55.05513	14.2
56.05033	5.1
57.07069	4.9
58.17442	3.6
60.04521	100.0
64.88684	3.7
67.05493	37.6
69.07052	22.4
70.06601	14.0
76.20966	3.9
79.00404	4.3
79.05490	8.1
81.07043	40.1
83.08625	5.8
91.05489	10.0
93.07062	16.5
95.08585	30.5
107.08607	6.7
109.10185	13.7
119.22580	4.2
121.10173	11.7
135.11707	9.2
189.35898	5.3
268.26169	5.7
280.26416	14.6
281.02423	4.9
298.27380	29.3
298.30368	5.0
316.28476	20.4
358.29764	17.6
376.30560	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03254	11.7
67.05422	10.0
67.32716	12.5
101.62720	13.1
104.07870	15.4
115.02500	13.9
132.74615	14.5
152.61490	14.0
181.41829	14.4
307.64993	15.4
376.31772	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12006	3.4
78.81751	3.4
117.14787	3.0
148.32373	3.8
306.94226	4.3
376.31851	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13676	1.8
65.03914	6.4
67.05473	2.6
71.01344	5.6
79.05475	9.5
81.07056	4.5
91.05457	3.9
94.04169	3.3
95.04938	7.9
102.55989	1.9
105.07041	2.2
107.04953	13.2
108.02068	2.0
111.04412	3.0
118.04144	3.8
121.06491	5.6
123.04414	2.9
124.05197	4.6
125.05981	4.5
126.26422	2.1
133.02878	5.4
135.04430	12.5
135.08054	3.0
137.05981	9.6
141.05524	3.6
146.03621	3.0
147.04390	5.1
148.05133	2.2
149.05966	7.0
150.06746	5.0
151.03888	100.0
151.04964	7.2
153.05493	5.5
155.37158	2.0
161.05888	3.5
163.03934	4.0
165.05470	5.1
166.06300	5.7
167.07039	8.0
175.03920	8.4
177.05470	7.6
178.06223	21.6
193.04924	6.1
195.06566	8.8
196.07320	13.6
207.06519	7.8
225.07501	9.9
327.08508	3.0
389.35172	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	377.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73800	29.0
56.96541	100.0
63.98570	36.6
65.25039	28.6
88.84526	36.5
95.95614	36.0
103.96144	39.2
124.38100	37.2
142.73691	43.1
169.98273	41.3
201.30141	44.9
219.17096	41.7
241.09721	46.3
285.76654	53.7
306.51822	42.5
321.68402	48.6
353.53986	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	377.1455
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
51.17048	2.6
56.16990	2.9
57.03423	14.1
57.21582	3.0
61.02931	3.3
66.97038	3.1
69.03417	21.8
70.06573	3.8
71.04978	7.4
75.04466	5.4
81.03420	6.2
85.02882	3.8
88.32773	3.2
88.33375	3.2
89.59260	3.4
91.05470	5.7
98.77786	4.0
99.04462	8.9
117.05441	3.5
137.05978	6.2
139.34314	3.6
163.54120	3.5
172.08647	45.7
197.93819	4.6
197.95535	4.9
198.06689	8.6
216.05843	4.7
216.07652	18.1
243.08728	89.4
377.14554	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	100.0
57.71590	14.8
65.03935	14.1
66.02360	13.9
67.05507	34.2
77.25965	17.2
83.04983	15.5
85.02907	22.9
85.15762	17.3
95.08647	62.6
105.07058	24.5
117.80898	20.5
137.05981	31.3
145.06567	24.2
183.08083	31.3
201.05533	20.9
201.26295	20.7
215.14325	20.9
257.08130	26.2
257.15582	38.8
275.05484	27.6
331.15366	24.6
377.15958	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1593
Annotation	Triptolidenol
Peak:m/z	Relative Intensity
50.42205	2.6
56.96556	4.6
57.06842	2.8
57.07071	33.9
61.83880	2.9
71.57710	2.8
75.99312	3.2
81.07024	4.3
83.08609	3.8
83.15778	3.3
91.05501	6.5
95.08586	6.4
96.81632	3.9
105.07071	5.0
105.86111	2.9
111.08054	4.8
117.72354	3.7
118.65374	3.4
133.06462	4.1
145.06462	8.6
155.08574	7.4
155.44792	3.9
157.10098	3.8
161.06015	5.0
177.05487	11.9
183.07988	5.5
186.62068	3.7
211.07520	7.8
229.08485	20.5
239.07066	7.6
239.14311	6.8
248.26848	3.8
267.13806	9.3
273.03442	3.4
295.13403	6.9
313.14261	7.2
331.15488	5.8
335.40515	3.9
359.14664	10.5
377.15933	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	100.0
57.71590	14.8
65.03935	14.1
66.02360	13.9
67.05507	34.2
77.25965	17.2
83.04983	15.5
85.02907	22.9
85.15762	17.3
95.08647	62.6
105.07058	24.5
117.80898	20.5
137.05981	31.3
145.06567	24.2
183.08083	31.3
201.05533	20.9
201.26295	20.7
215.14325	20.9
257.08130	26.2
257.15582	38.8
275.05484	27.6
331.15366	24.6
377.15958	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1597
Annotation	Sculponin H
Peak:m/z	Relative Intensity
57.07072	100.0
57.19497	11.5
67.05501	23.5
74.48631	11.9
74.56067	15.9
81.33315	13.5
88.15319	14.8
95.08119	14.2
95.08611	78.2
105.48312	14.3
117.07037	20.6
121.06549	18.2
135.04466	23.1
140.76411	14.4
151.03934	22.1
173.06073	25.9
173.09648	19.1
179.34364	16.8
183.08176	29.4
201.09154	19.5
206.61951	17.0
211.07574	21.0
229.08600	28.9
233.15932	15.2
239.75911	16.0
248.53273	15.8
259.13281	32.5
285.14789	20.0
318.28571	18.8
331.15518	22.4
349.16782	20.9
359.14825	76.1
360.92105	18.2
377.16049	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1594
Annotation	Triptolidenol
Peak:m/z	Relative Intensity
55.05480	4.4
56.80385	2.9
57.07067	32.6
67.05483	3.3
74.92896	3.0
91.05454	5.7
95.04978	3.9
95.08601	6.4
96.72723	3.4
96.74281	2.9
98.49252	3.8
105.07070	3.3
107.08517	3.8
117.07030	4.1
123.04428	3.7
131.08511	4.2
140.46649	3.8
141.07014	4.6
145.06480	8.3
147.04553	3.2
155.08554	4.6
161.05968	4.9
177.05496	10.5
183.08084	6.3
211.07520	6.1
229.08603	26.9
239.07065	5.6
267.13770	11.3
285.14767	5.7
295.13199	6.1
313.14188	7.3
331.15381	7.9
359.14865	7.6
377.11096	5.1
377.15909	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1594
Annotation	(7R)-7-Hydroxylariciresinol
Peak:m/z	Relative Intensity
53.00316	4.1
53.03932	4.8
53.18942	3.3
55.05494	14.0
57.06804	5.8
57.07067	100.0
64.07510	3.9
66.54059	3.9
67.05487	26.0
67.19021	4.1
79.05473	4.4
80.53033	4.4
81.07034	5.9
83.08601	17.7
85.02883	4.8
91.05463	20.6
93.07033	11.9
95.08599	86.5
95.41335	4.1
105.07017	8.1
107.04952	9.0
107.08602	8.8
109.06509	5.9
109.88128	4.6
111.08098	4.5
113.09634	18.5
115.05411	5.4
117.07010	17.3
119.08581	8.0
121.06496	5.2
128.06258	7.1
129.06995	6.5
130.58269	4.4
131.08521	8.8
132.59903	5.2
133.06488	7.9
133.10081	6.2
137.05948	7.7
141.06963	7.2
142.07838	6.1
143.08536	9.1
145.06468	22.0
145.10146	8.1
147.08022	5.3
149.05997	6.1
150.94023	5.2
154.07655	5.3
155.08519	14.4
157.06534	6.0
157.10146	4.4
159.08081	14.8
161.05951	10.5
169.10104	4.9
171.08105	10.0
173.05946	26.8
173.09598	20.2
175.07474	7.7
177.05511	4.8
183.08028	32.3
185.06023	6.1
185.09694	5.4
187.07486	12.9
189.09062	5.5
195.08151	12.8
197.09447	5.1
199.07559	5.7
199.11043	7.7
200.49738	5.5
201.05450	25.8
201.09091	22.7
203.07057	10.9
203.10664	8.3
211.04086	6.3
211.07581	29.3
213.09074	8.2
213.12669	16.7
215.06964	8.7
215.14314	22.7
217.08676	9.1
219.10291	5.7
227.07060	12.8
229.04956	17.7
229.08633	21.1
229.12346	6.0
229.15793	8.3
239.07033	8.8
239.14389	7.3
239.77257	6.0
241.08440	6.2
247.05881	31.5
247.09793	6.3
248.74814	5.4
257.08075	21.1
257.15353	41.8
259.09482	7.7
259.13260	21.6
269.26157	4.7
275.05496	63.6
275.08667	7.5
275.16360	9.4
285.07468	10.5
285.14877	17.0
295.13647	5.3
303.08612	15.5
303.16058	17.2
313.14648	6.2
331.15372	32.5
349.16406	8.5
359.14926	18.8
377.15921	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1593
Annotation	Sculponin H
Peak:m/z	Relative Intensity
55.05511	5.7
57.07066	43.6
67.05496	8.6
71.46538	3.4
75.14919	3.6
91.05517	6.2
94.40642	4.6
95.08598	29.1
107.04975	3.9
113.09680	4.4
117.07009	5.2
129.07022	4.9
135.08055	5.8
140.22902	4.7
145.06471	6.4
155.08595	8.1
161.06039	6.3
173.05998	5.0
177.64671	4.7
183.08121	16.6
185.06064	7.0
199.07674	5.3
201.09154	9.7
211.07654	14.1
218.95050	4.7
229.08659	10.8
239.07181	13.9
241.08647	7.7
241.12344	18.5
250.41928	5.2
257.08237	7.7
259.13330	5.8
285.07672	15.3
285.14795	7.0
303.16022	11.9
312.47214	5.0
331.15466	9.3
340.17679	4.6
359.14819	100.0
360.14981	5.0
377.15933	56.9
377.19620	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	377.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07051	25.2
61.88690	19.7
67.05494	50.4
71.08621	100.0
76.62985	18.8
79.05470	21.9
81.07037	54.4
82.43664	17.0
91.05466	46.5
93.07026	34.2
95.04945	18.5
95.08569	20.7
99.08069	52.8
100.47000	17.4
105.07036	42.3
117.07064	19.6
119.08555	20.3
120.34500	15.5
121.86403	24.0
131.08542	23.6
145.10110	31.9
153.73828	18.7
171.11682	36.1
226.36989	25.1
231.21199	19.5
340.90506	24.4
355.06601	21.3
377.27109	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	377.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	11.1
55.05495	28.2
57.03418	17.0
67.05225	8.6
67.05501	100.0
69.07047	19.6
79.05477	64.4
81.07045	74.6
84.04571	10.5
85.06522	15.4
91.01121	8.6
91.05477	81.7
93.07048	79.7
95.04967	13.6
95.08615	50.9
101.92046	8.6
105.07030	48.9
106.12812	8.6
107.08596	34.8
109.10154	24.5
117.07016	27.4
119.08567	38.5
121.10135	52.9
129.05461	18.1
129.07014	18.5
131.08582	41.5
133.10130	35.5
135.11708	45.4
143.08612	13.2
145.10127	40.2
147.11671	35.7
149.20547	9.4
151.11082	11.0
159.11699	37.0
161.13266	18.6
163.11234	15.7
169.10164	10.7
171.11713	27.8
175.14827	12.3
177.12759	12.7
183.11691	14.8
185.13208	22.5
187.14758	17.1
189.12712	14.1
201.16402	29.2
203.14259	10.7
203.36543	10.9
211.14807	13.2
243.21169	16.0
257.19214	13.5
257.22626	15.8
267.21091	30.7
285.22089	63.3
377.22568	22.2
377.27051	46.7
394.11890	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	377.2687
Annotation	2-eicosapentaenoyl-glycerol
Peak:m/z	Relative Intensity
55.01856	9.5
55.05492	31.0
57.03417	20.8
57.13686	7.4
61.00660	6.8
66.82162	7.0
67.05496	100.0
69.07045	22.9
71.04984	13.6
76.30176	6.8
79.05475	63.8
81.07047	85.5
85.06510	15.1
91.05468	66.1
92.25085	7.2
93.07040	79.8
93.81331	7.5
95.04958	18.7
95.08607	58.0
105.07034	47.2
105.77321	8.8
107.08578	44.3
109.10136	31.9
117.07010	22.7
119.08566	38.0
121.10119	57.1
125.73936	7.3
128.88135	8.1
129.05446	17.7
129.06999	18.0
130.99196	9.2
131.08536	47.7
133.10107	39.5
133.17729	8.2
135.11670	35.5
141.07004	12.1
143.08521	11.1
145.10123	50.8
147.11688	27.0
149.09535	13.4
149.54138	8.5
151.11235	13.8
159.11703	26.1
161.13280	18.7
166.93779	7.4
169.10147	11.4
171.11732	18.5
173.13203	11.9
175.14871	12.4
183.11566	10.3
185.13277	10.7
187.14919	13.7
197.13223	17.5
201.16328	14.1
211.14964	12.0
220.57524	7.9
225.16460	9.1
225.27713	8.9
241.19701	11.4
243.21115	26.2
262.50961	11.3
267.21039	38.8
269.70551	9.2
285.22198	56.1
377.22824	20.5
377.26877	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.05499	15.8
57.07074	6.9
67.05482	20.1
69.07063	23.8
71.04979	7.5
71.08631	12.2
73.47522	2.7
79.05486	4.6
81.07046	40.5
83.04982	4.7
83.08604	20.3
85.10202	4.1
86.84714	3.3
88.11249	21.8
89.06050	3.8
93.07048	6.1
95.08595	34.9
97.10185	12.5
107.08668	3.6
109.10142	25.1
111.04485	4.6
111.11740	6.2
123.04444	4.1
123.11759	9.6
135.11624	3.3
228.16402	3.8
259.07825	3.5
260.18500	3.8
280.17123	4.3
282.53757	3.8
319.18542	3.7
377.30435	100.0
377.34888	5.6
378.33771	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	377.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	19.8
57.07062	10.7
65.03927	2.7
67.05501	23.9
69.03411	4.0
69.07056	32.0
79.05483	11.9
81.03397	3.9
81.07036	25.7
83.04965	4.2
83.08608	22.4
91.05470	6.8
91.71011	5.1
93.07034	6.7
95.01306	7.4
95.04958	3.3
95.08588	30.2
97.02869	6.2
97.10163	11.0
105.07029	4.6
107.08583	4.7
109.10161	12.0
111.04478	3.3
111.11737	3.4
112.22717	2.9
114.23118	2.9
114.79623	2.8
119.08593	7.7
121.10122	3.1
123.04444	7.7
123.11774	3.2
131.08612	3.7
133.10152	7.5
147.11711	5.9
161.13208	2.8
164.01378	3.0
286.15189	3.3
344.12631	3.1
377.25577	5.1
377.30457	100.0
388.66992	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	377.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66401	4.2
56.76789	5.0
57.06805	5.9
57.07068	100.0
59.29189	4.7
69.07040	7.2
71.08620	86.8
85.10168	46.3
89.06019	82.9
107.07069	5.6
113.13271	6.0
114.04772	4.4
125.63503	4.8
129.90842	6.1
130.08640	21.3
133.08620	35.8
151.09702	6.3
162.15886	5.9
177.11212	8.2
193.21771	5.4
195.12260	47.8
294.94531	5.2
315.39572	5.7
332.42639	6.1
377.32413	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	377.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	8.0
55.99495	4.7
57.06797	8.1
57.07068	100.0
62.02480	3.9
62.89705	4.7
64.76598	4.5
69.07070	9.8
71.08624	86.9
85.10174	39.7
89.06023	85.6
91.71679	5.7
94.01447	5.0
99.11758	5.8
102.47219	4.4
107.07046	8.8
107.76374	4.8
127.86243	5.9
130.08647	16.3
133.08618	23.1
139.59749	5.1
151.09734	7.6
169.61972	5.9
177.11227	11.7
195.12309	38.4
210.60437	5.1
289.58405	6.0
377.32440	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	377.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46585	5.8
52.33490	7.9
55.05504	64.7
57.07081	29.7
66.43568	6.8
67.05484	66.0
69.07059	100.0
69.07378	10.1
71.08624	13.7
75.27924	7.2
76.61208	7.8
79.05506	14.4
79.42461	7.5
81.07050	83.7
83.04984	9.5
83.08607	56.0
85.06558	13.2
91.05511	25.3
93.07067	29.8
95.08594	94.0
97.06492	52.5
97.10187	39.5
107.08588	14.4
109.10181	23.3
111.08102	7.6
111.11745	14.8
113.63097	8.4
121.10178	25.3
133.10211	11.9
135.11671	19.1
149.13269	12.2
164.43057	10.9
257.40082	8.5
265.18326	8.9
265.25317	10.3
335.33057	47.8
377.34128	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	378.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03408	1.6
61.02900	2.4
69.03428	8.0
78.77869	1.6
85.02892	27.5
97.02889	1.7
107.94460	1.7
109.20296	1.4
125.02316	1.5
127.03885	5.1
129.55025	1.7
136.55952	1.5
138.03125	3.5
141.91760	1.7
145.05051	2.6
150.61905	1.7
153.05460	100.0
181.08658	2.1
183.60590	1.9
199.06003	38.8
216.42674	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	378.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78793	0.6
54.14444	0.6
61.02914	2.1
69.03410	3.5
81.03399	2.3
85.02898	13.0
97.02897	3.2
97.44505	0.9
122.03643	2.5
127.03909	2.3
137.05975	100.0
145.04962	2.0
157.43823	0.9
163.07478	1.2
181.08588	12.4
213.64479	1.0
247.42880	0.9
326.57849	1.1
370.32269	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.8
61.02924	1.5
69.03430	4.9
81.03436	2.8
85.02895	14.1
85.03350	0.9
91.05499	0.9
97.02925	3.0
100.68151	0.9
116.45902	1.0
122.03671	2.0
127.03968	3.0
137.05975	100.0
145.04970	2.3
148.75618	1.1
163.07567	1.8
167.98775	1.0
180.08652	1.1
181.08571	11.3
181.09767	1.0
296.70245	1.0
393.75360	1.2
399.54755	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06931	1.0
50.60060	0.8
57.56099	0.8
59.72976	0.8
60.04518	100.0
67.05488	1.5
67.28148	1.1
71.01363	0.9
72.04517	1.1
79.05463	1.5
81.03406	5.0
81.07034	3.5
90.89037	1.0
91.05464	1.8
93.07067	1.4
94.70122	1.1
95.08611	1.5
97.02889	1.8
107.04918	1.5
119.08606	1.2
131.08495	1.4
163.03288	1.1
195.55644	1.2
199.30022	1.4
234.39639	1.2
258.62170	1.3
271.16986	1.6
289.17938	5.3
291.54953	1.4
307.19086	3.4
324.21799	1.5
342.22772	3.6
360.23743	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	378.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30182	6.0
55.05507	7.1
60.04539	7.2
61.60435	6.5
64.90479	6.3
76.10263	7.9
76.74961	8.1
81.07039	10.0
91.05475	10.6
111.73085	7.2
116.12912	7.4
137.05957	15.9
144.86095	7.6
181.08438	8.2
241.34332	9.8
337.86725	8.0
378.26093	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03237	2.2
60.04522	15.1
69.07057	2.1
70.06586	9.5
71.32468	1.9
72.08149	8.7
81.07025	2.6
84.04536	2.7
86.09715	6.0
88.27618	2.4
101.93026	2.3
106.79058	2.2
120.08127	9.3
124.75166	2.4
130.73170	2.3
234.24025	2.8
241.73026	3.0
262.02487	2.9
291.04471	2.8
313.62796	3.5
337.37167	2.8
379.09976	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75186	2.4
55.24316	2.2
80.35145	2.7
107.71366	2.6
127.46382	2.7
137.09547	3.6
204.08830	7.1
216.08798	100.0
217.09561	5.7
218.10396	9.8
223.82330	4.0
225.06454	6.4
230.10400	9.0
240.08859	19.6
240.11041	4.4
242.10367	6.8
246.09883	13.3
247.37387	3.0
258.09860	10.9
286.09360	27.5
333.13257	3.4
379.13510	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30224	4.5
55.05498	6.0
57.07067	46.6
65.36818	4.8
67.05486	6.2
81.07030	6.2
83.01314	11.9
91.05521	6.7
93.07076	9.1
95.04954	9.6
97.16485	5.0
100.11242	7.9
105.07083	7.5
107.04926	5.7
107.08630	7.6
121.10139	4.9
137.06065	6.9
149.06015	10.4
157.06450	5.3
163.65450	5.7
165.05490	12.6
175.07613	7.5
203.07104	12.4
203.10660	6.7
213.09192	14.9
231.06387	6.8
231.10240	9.7
241.08675	10.2
259.09692	17.0
265.62735	5.8
269.07956	10.1
287.09192	8.3
302.60678	5.6
315.15799	10.2
333.17041	18.3
343.15561	10.4
361.16428	24.3
379.17453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1747
Annotation	15-Hydroxyeremantholide B
Peak:m/z	Relative Intensity
53.30224	4.5
55.05498	6.0
57.07067	46.6
65.36818	4.8
67.05486	6.2
81.07030	6.2
83.01314	11.9
91.05521	6.7
93.07076	9.1
95.04954	9.6
97.16485	5.0
100.11242	7.9
105.07083	7.5
107.04926	5.7
107.08630	7.6
121.10139	4.9
137.06065	6.9
149.06015	10.4
157.06450	5.3
163.65450	5.7
165.05490	12.6
175.07613	7.5
203.07104	12.4
203.10660	6.7
213.09192	14.9
231.06387	6.8
231.10240	9.7
241.08675	10.2
259.09692	17.0
265.62735	5.8
269.07956	10.1
287.09192	8.3
302.60678	5.6
315.15799	10.2
333.17041	18.3
343.15561	10.4
361.16428	24.3
379.17453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1748
Annotation	15-Hydroxyeremantholide B
Peak:m/z	Relative Intensity
51.56927	3.4
57.06836	5.6
57.07071	59.1
58.13012	3.8
60.79404	4.1
67.05467	5.3
69.03416	6.2
76.30833	4.5
79.05488	7.4
81.23969	5.3
83.01338	12.3
91.05492	6.9
93.07018	5.4
95.04953	12.7
105.07046	5.0
107.08562	10.9
109.10150	5.8
111.04472	8.5
111.67264	4.7
117.07009	5.7
121.10145	13.7
129.06992	9.5
131.08595	6.0
133.06522	5.8
137.02327	5.1
137.06000	8.1
143.08571	6.2
145.06485	7.2
147.01181	4.3
147.04422	7.4
147.08104	8.3
149.06000	6.6
157.06531	6.2
157.10165	9.4
161.05972	5.2
165.05496	5.5
169.02350	4.5
175.03867	8.7
175.07530	7.8
185.05942	7.6
185.09605	12.8
199.07446	6.0
203.07011	11.2
213.05536	7.7
213.09137	13.1
217.08588	6.4
223.07434	5.4
227.07213	6.3
231.06471	5.6
231.10156	10.7
241.08597	18.3
259.09641	17.6
261.14877	6.1
269.08197	5.6
284.46625	4.9
287.09171	15.9
333.17047	15.3
343.15323	20.8
361.16409	20.7
379.17462	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36062	1.7
55.05495	9.3
56.05023	2.9
57.07056	4.8
58.99566	2.0
59.14868	2.6
62.26183	2.0
62.26887	1.9
62.99067	11.0
65.13421	2.1
67.05486	8.2
69.07060	100.0
81.07050	3.9
84.04496	42.1
87.02690	18.4
88.03974	13.8
95.08629	3.2
98.83371	2.3
109.10145	3.7
111.11708	26.9
116.85424	2.4
129.06636	3.1
130.05003	7.7
143.08864	10.0
161.09947	46.6
215.11009	12.8
232.13676	10.2
233.12093	26.2
249.05438	3.9
250.14684	18.0
296.42508	2.5
361.17957	3.9
362.15747	3.1
379.18958	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	379.1901
Annotation	Mulberrofuran V
Peak:m/z	Relative Intensity
50.80416	8.0
51.71857	7.6
53.03960	12.8
53.28284	7.7
57.07083	37.0
58.88487	7.9
67.89390	9.3
83.01183	9.5
85.06546	14.1
91.05503	34.8
91.71607	10.6
104.94534	8.8
105.07080	13.5
113.87321	10.8
119.05001	20.5
129.55246	9.8
131.04927	14.7
137.06009	29.8
145.10121	11.5
163.11255	17.0
175.11250	26.1
253.78278	12.8
279.10419	14.2
347.16528	17.1
379.19064	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1902
Annotation	Mulberrofuran V
Peak:m/z	Relative Intensity
50.97484	4.5
51.73705	4.7
52.90504	4.2
53.03933	15.0
56.96542	7.1
57.07063	45.8
59.36501	4.5
79.05494	11.4
79.38946	5.4
81.03433	9.8
81.07046	6.5
83.04974	6.5
83.93042	5.0
85.06541	18.4
91.05463	51.3
91.71640	12.8
105.07038	9.2
119.04958	16.6
119.08597	8.5
129.06976	9.0
131.04883	10.5
137.05989	29.5
145.10094	7.0
159.92053	5.7
161.05960	6.4
163.07535	13.1
163.11160	14.9
175.11234	19.6
187.07503	12.4
187.11150	8.8
187.34224	7.2
206.01314	6.4
261.38748	6.5
277.12366	6.8
319.16730	7.9
337.17868	9.1
347.16293	7.0
361.17670	13.2
379.18994	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	16.7
59.62970	10.1
61.27766	9.6
66.46709	10.2
67.05498	83.0
69.07048	25.6
79.05492	44.6
81.07051	75.6
85.43593	10.8
91.05470	44.4
93.07043	50.7
95.08596	62.6
97.02907	16.0
99.78663	11.1
105.07023	35.9
107.04969	20.2
107.08597	41.3
109.10164	18.8
119.08596	26.7
121.06470	11.2
121.10155	31.6
131.08556	27.8
133.06526	28.3
133.10088	13.5
135.11668	11.5
145.06462	25.2
147.04240	12.5
147.08052	31.7
161.09708	17.0
274.63391	12.5
283.61673	11.8
307.20667	23.2
325.21536	56.3
343.22522	100.0
351.35492	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	379.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	15.7
67.05495	67.3
69.07046	21.4
79.05482	52.4
81.07042	85.8
89.82953	14.9
91.05461	30.5
93.07057	59.7
95.04980	17.9
95.08595	54.1
104.99333	18.4
105.07032	41.1
107.04967	29.1
107.08569	29.7
109.10154	27.0
110.67036	19.0
117.33951	17.4
121.06473	23.6
121.10131	31.9
123.23526	17.2
131.08539	20.7
133.06468	48.5
135.11787	20.0
145.06503	33.0
147.07991	41.0
226.42570	19.8
228.46873	19.8
307.82007	17.2
325.21710	42.2
343.22797	100.0
365.19940	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	379.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68518	5.2
55.05499	21.7
57.07055	7.6
64.73058	5.3
67.05497	65.8
69.07047	17.3
71.04963	9.4
77.15593	6.6
79.05489	36.0
81.07044	66.7
83.08609	8.5
85.06519	7.6
91.05474	57.0
93.07023	55.9
95.04986	13.2
95.08611	56.7
105.07034	40.3
107.04895	16.4
107.08597	31.0
109.02895	7.9
109.10133	17.6
117.07021	23.9
119.08547	15.3
121.06495	16.0
121.10114	19.5
123.11704	6.5
125.09693	8.3
129.07004	12.9
131.08586	21.8
133.06519	30.0
133.10117	16.9
143.08528	8.5
145.06493	19.9
145.10071	14.0
147.08092	24.8
147.11638	9.1
151.03961	9.4
157.06508	11.9
159.08058	11.4
159.11806	8.5
161.06056	8.9
169.52592	8.7
173.09637	7.7
181.10240	7.9
183.11705	8.2
199.11151	8.0
270.00919	6.8
279.20883	8.8
307.20465	15.9
325.21664	46.0
343.22632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88283	4.3
55.05499	10.1
57.49240	5.1
67.05496	100.0
69.07059	15.3
72.18719	4.7
79.05484	24.9
81.03426	12.0
81.07050	85.4
82.94304	4.8
83.08599	9.2
85.06509	5.3
91.05472	39.6
93.07047	52.3
95.08593	38.7
97.06571	6.0
101.53426	5.4
105.07019	21.8
107.08589	25.5
109.10164	26.7
111.08031	6.3
117.07050	6.4
119.08572	24.5
121.09410	6.4
121.10118	35.2
123.11693	33.1
129.05482	5.3
131.08577	20.6
133.10110	27.0
135.11717	22.5
137.13281	6.3
145.10100	15.6
146.31906	5.7
147.11693	13.9
149.09584	7.5
149.13306	11.1
153.58296	5.5
159.11781	5.5
171.11678	9.2
173.13293	12.7
175.14819	7.8
185.13318	9.9
187.14783	9.4
203.17979	12.7
219.61967	5.8
245.22646	7.1
262.71036	6.4
263.71246	6.0
269.22662	25.6
273.73816	5.4
275.98102	5.8
282.62155	7.3
287.23602	30.4
295.80188	7.8
361.03549	7.6
379.28607	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.284
Annotation	Plakinic acid F
Peak:m/z	Relative Intensity
51.27515	4.2
53.03912	5.4
55.05492	11.9
56.38501	4.2
57.03416	10.1
57.07056	5.9
57.42075	4.1
58.42087	4.6
61.56549	4.8
67.05495	100.0
69.07063	14.4
71.04967	9.1
79.05482	21.6
81.07050	96.8
83.08592	6.7
85.06541	5.5
91.05479	33.7
93.07039	47.4
95.04930	4.5
95.08601	46.7
105.07032	18.0
107.08608	21.8
109.10155	30.2
117.07011	8.0
117.23206	6.2
119.08588	17.9
121.10148	39.3
123.11706	31.4
129.05414	6.4
131.08559	19.4
133.10143	21.3
134.23619	5.4
135.11710	20.9
137.13258	6.5
145.10133	15.8
147.11702	16.0
149.09587	7.9
159.11717	9.7
161.13202	8.4
171.11700	5.4
173.13280	11.2
175.14923	7.0
183.51283	6.3
185.13327	10.3
203.17999	8.5
217.46962	6.5
229.31931	5.4
269.22647	31.7
287.23672	22.4
379.28354	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	379.284
Annotation	CHEMBL262560
Peak:m/z	Relative Intensity
51.87899	3.7
53.03925	3.5
55.01850	7.9
55.05507	30.1
57.03434	3.6
57.07059	12.3
59.93563	3.4
64.72906	4.0
67.00325	3.6
67.05493	100.0
69.03395	12.0
69.07060	33.0
79.05477	29.2
81.06596	8.2
81.07047	93.3
83.01331	12.1
83.04996	4.6
83.08602	15.1
85.06544	6.8
90.30795	4.5
91.05486	28.2
91.05948	4.6
91.71696	8.9
92.74714	4.1
93.07026	39.6
95.04964	5.8
95.08603	51.1
97.06534	11.5
97.10165	6.9
105.07028	26.8
107.08560	22.4
109.10142	30.8
117.06999	10.1
119.08560	22.3
121.10126	32.1
123.11721	27.5
125.02332	17.1
131.08545	15.8
133.10101	21.4
135.11705	18.7
137.13271	13.2
141.05478	18.5
145.10158	12.8
147.08052	5.0
147.11662	20.6
149.13258	12.3
153.05476	14.7
153.64651	4.4
159.11696	9.5
163.11177	6.2
165.12669	6.5
171.11699	4.7
173.13318	10.6
175.12424	4.9
175.14760	6.6
185.13229	10.9
187.14830	9.5
195.98859	4.4
199.14836	6.3
203.17932	8.9
226.51692	5.4
269.22598	27.6
287.23700	31.8
318.72717	4.9
361.27335	17.9
379.28696	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	379.2842
Annotation	CHEMBL262560
Peak:m/z	Relative Intensity
53.45228	12.9
55.05503	24.9
55.72420	12.2
56.10409	11.6
56.23820	12.0
57.03436	16.6
57.07060	28.0
59.11315	11.8
65.60566	11.7
67.05495	100.0
69.07065	33.3
70.53469	14.2
71.04983	37.1
74.49709	12.2
79.05490	49.4
81.07047	77.0
85.11871	13.5
91.05475	80.7
91.71095	17.0
92.51269	13.6
93.07040	73.0
95.08595	51.5
100.13302	14.1
105.07034	74.7
107.08583	27.4
107.64825	16.2
109.10205	19.4
117.07019	16.1
119.08601	44.6
121.10136	55.3
123.11726	16.9
129.05437	37.7
129.06995	22.2
131.08571	55.1
133.10138	55.0
143.08598	31.5
145.10155	40.2
146.29916	14.9
147.11691	55.7
159.11682	23.2
161.13249	19.1
171.11647	18.4
185.13306	27.5
186.27011	15.0
199.14783	18.4
203.18025	29.6
205.14293	17.6
212.26895	18.0
231.11504	15.9
245.22697	42.5
269.22400	34.2
287.23703	86.6
316.00113	19.5
351.65234	17.9
379.28549	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	379.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	6.5
56.25807	5.6
57.03434	5.8
57.07068	60.8
67.05494	88.2
67.34008	5.2
69.07046	14.7
71.04989	6.6
71.08629	45.9
73.06535	7.3
79.05488	18.3
81.07041	71.2
83.08613	8.1
83.33826	6.4
85.10164	28.2
89.06023	100.0
91.05476	19.1
93.07040	30.2
95.08596	52.1
98.98445	7.2
105.07014	14.4
107.08588	27.6
109.10147	26.2
109.90301	6.3
117.07015	10.2
119.08574	13.7
121.10162	18.8
123.11715	18.5
130.08667	27.2
131.08572	17.4
133.08618	45.8
133.10133	22.0
135.11687	16.4
145.10123	14.9
147.11671	11.6
159.11684	9.3
161.13297	8.6
171.11632	7.3
177.11186	12.8
187.14757	10.8
214.21545	6.8
229.21750	8.2
239.14825	6.9
269.22647	21.3
287.01675	7.1
287.23724	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	379.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45228	12.9
55.05503	24.9
55.72420	12.2
56.10409	11.6
56.23820	12.0
57.03436	16.6
57.07060	28.0
59.11315	11.8
65.60566	11.7
67.05495	100.0
69.07065	33.3
70.53469	14.2
71.04983	37.1
74.49709	12.2
79.05490	49.4
81.07047	77.0
85.11871	13.5
91.05475	80.7
91.71095	17.0
92.51269	13.6
93.07040	73.0
95.08595	51.5
100.13302	14.1
105.07034	74.7
107.08583	27.4
107.64825	16.2
109.10205	19.4
117.07019	16.1
119.08601	44.6
121.10136	55.3
123.11726	16.9
129.05437	37.7
129.06995	22.2
131.08571	55.1
133.10138	55.0
143.08598	31.5
145.10155	40.2
146.29916	14.9
147.11691	55.7
159.11682	23.2
161.13249	19.1
171.11647	18.4
185.13306	27.5
186.27011	15.0
199.14783	18.4
203.18025	29.6
205.14293	17.6
212.26895	18.0
231.11504	15.9
245.22697	42.5
269.22400	34.2
287.23703	86.6
316.00113	19.5
351.65234	17.9
379.28549	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	379.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18064	3.4
53.00309	4.5
55.05503	13.6
55.84703	4.8
55.96643	4.4
57.06823	6.9
57.07067	56.2
60.01848	3.9
67.05491	58.4
68.92217	4.2
69.07063	13.0
70.52883	4.7
71.04974	5.1
71.08614	43.0
79.05490	15.2
81.07047	53.4
83.08605	7.2
85.10175	30.7
87.66545	4.5
89.06014	100.0
91.05466	21.3
93.07028	29.8
95.08595	35.4
98.97601	5.2
98.98483	12.2
107.08568	11.1
109.10150	19.6
114.09064	6.0
117.07011	5.3
119.08582	12.2
121.10160	19.3
123.11723	19.9
130.08632	28.7
131.08575	5.5
133.08595	41.0
133.10097	12.7
135.08081	5.3
135.11754	7.2
145.10074	9.4
153.35214	5.4
155.01068	13.8
159.11732	7.8
166.55801	5.3
171.11664	6.4
173.13316	7.7
189.16377	6.9
239.14990	11.5
242.20151	5.6
250.34872	7.6
259.69910	5.7
269.22662	13.7
287.23730	9.0
320.77121	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	379.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22176	3.9
54.39855	4.7
55.05507	63.3
56.82911	5.5
57.07065	85.3
65.03922	6.6
67.05493	47.7
69.03417	5.2
69.07059	100.0
71.08629	35.6
79.05479	21.0
79.64898	4.7
81.03408	12.4
81.07050	45.1
83.04989	27.3
83.08618	39.0
85.10169	9.7
91.05473	48.5
93.07035	31.5
93.44147	5.4
94.81773	5.1
95.01319	90.8
95.04953	38.7
95.08605	31.2
97.02892	10.2
97.10161	32.7
105.07032	66.1
107.04907	5.5
107.08590	25.7
109.02888	7.6
109.06501	9.2
109.10138	14.3
111.04441	40.6
111.11721	13.8
118.21975	4.8
119.08569	93.9
121.10130	20.6
121.57278	6.2
123.04404	62.7
123.08066	5.6
133.06459	7.6
133.10121	80.8
135.11673	9.4
137.05959	8.2
137.09552	9.4
146.97070	6.8
147.08041	13.5
147.11688	49.8
149.13274	6.9
151.07544	25.7
161.09616	14.1
161.13229	40.6
165.09125	26.5
165.12730	6.0
175.11243	7.5
175.14821	35.1
179.10684	26.4
181.63130	5.8
189.16415	12.6
193.12265	24.1
203.17996	13.0
207.13831	20.5
219.68192	6.5
221.15370	21.7
235.16916	29.6
249.18474	21.2
252.21587	6.1
263.20132	24.7
277.21674	8.7
291.23203	11.6
297.54276	6.4
301.49313	8.1
308.92267	6.9
315.30463	14.3
329.20996	7.0
345.65009	6.3
361.31128	27.0
379.32202	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	380.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98806	1.8
70.75357	1.9
75.33910	1.8
79.05465	1.8
80.13564	2.0
84.09058	1.9
94.04180	2.4
121.06451	2.6
122.03644	5.3
137.05969	94.6
149.06010	5.1
153.06975	5.6
157.99998	2.1
163.03912	9.8
163.55721	2.1
177.05447	4.8
181.05066	3.0
181.06491	8.5
191.03369	51.6
196.05156	3.4
204.06468	2.8
211.07625	10.8
220.36726	2.2
239.06990	4.6
241.08510	2.6
242.86055	2.7
249.09921	2.1
256.07367	2.2
299.09076	33.3
304.98273	2.3
309.07501	4.1
317.10208	10.5
327.08600	31.9
345.09674	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26517	1.8
55.01852	4.8
55.57445	1.9
56.05026	2.9
56.96558	3.5
60.04515	5.6
63.42387	2.1
69.03406	2.4
70.06575	7.1
72.08129	2.9
72.84161	2.2
79.46159	2.1
84.04497	3.5
84.08141	5.1
85.02927	2.7
86.09689	4.7
86.27516	2.2
95.04952	4.4
105.79252	2.3
107.04928	4.6
109.02747	2.6
123.04420	10.1
127.04030	3.4
133.02878	6.7
135.04436	9.7
137.02844	2.3
139.03903	51.9
147.04350	2.3
151.03902	100.0
151.05083	5.0
152.04478	2.5
153.05458	4.6
163.03870	22.1
165.05478	3.1
169.04948	6.5
181.04958	9.3
189.05478	8.0
193.04997	5.2
209.05809	2.6
209.75432	2.6
233.08099	3.0
277.76828	2.3
301.07101	4.4
319.08099	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25674	3.4
55.01870	4.7
55.05497	5.9
57.03432	3.8
60.04536	4.9
63.85425	3.6
64.36150	3.2
67.05170	7.5
67.05497	82.7
67.25052	3.5
69.03413	9.8
71.04974	6.0
79.05490	12.6
81.03414	4.7
81.07050	31.6
85.02900	22.1
85.34322	4.7
86.09779	3.8
87.17787	3.7
89.95177	4.0
90.41764	4.0
90.58694	3.7
91.05463	45.6
91.71649	7.3
93.07037	77.8
95.04952	27.4
95.08587	21.4
97.02906	9.0
105.07027	10.0
107.04976	9.8
107.08537	22.4
109.06505	15.4
109.10149	100.0
119.08566	67.2
121.06509	11.8
121.10120	21.3
137.09612	74.0
147.08064	18.9
153.09096	20.0
165.09103	74.4
171.10094	6.8
183.10167	31.4
201.11276	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	380.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	16.8
57.07059	16.8
59.60600	3.3
73.97192	3.1
74.67511	3.2
85.35923	3.6
90.88608	3.5
91.05479	5.0
93.07055	4.2
97.10154	15.6
98.97591	5.6
111.73307	4.7
118.25980	3.8
121.10170	4.2
128.21786	3.6
137.06000	5.2
161.05965	4.9
173.05986	5.1
173.09656	7.0
175.07597	4.1
183.07993	5.1
191.07007	7.2
201.09024	4.7
243.10211	5.9
247.09695	16.2
261.14771	5.1
271.09897	4.4
289.14304	23.1
297.99399	7.4
299.16336	7.6
307.15451	8.6
317.17438	4.8
345.16910	100.0
363.18057	38.8
380.20508	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62245	0.7
66.16881	0.7
69.07047	2.4
69.45398	0.7
73.06516	1.2
81.07072	0.7
91.05454	1.2
91.71015	1.0
94.04166	1.4
105.06986	0.9
109.10148	6.5
119.84457	0.7
121.13986	0.8
122.03683	4.0
123.11707	0.9
124.95415	0.7
137.05971	100.0
151.07396	0.7
163.07568	1.5
181.08644	4.0
183.13831	2.3
213.03331	0.8
231.93102	0.7
270.66629	0.8
334.17297	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	380.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11826	2.6
55.05516	5.6
58.66864	2.7
68.05035	5.2
69.05824	6.3
70.06584	61.8
74.80372	2.9
81.07073	4.1
83.06934	3.6
83.07375	14.4
84.08145	8.9
91.71057	6.2
95.08575	4.8
116.98666	6.0
121.10207	5.4
121.33116	4.5
141.03993	4.0
159.54768	4.4
226.18024	5.3
233.22461	4.1
236.16367	5.2
249.35950	4.1
254.17488	100.0
261.89810	3.9
274.97531	5.0
297.99146	8.2
315.70294	4.7
316.00534	6.1
338.96967	5.6
380.27917	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	380.316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	12.4
55.05498	17.8
56.96559	11.0
66.07234	9.6
66.54379	9.5
67.05489	43.8
78.17773	11.4
79.05473	34.1
81.07038	48.2
91.05479	24.5
93.07036	33.9
93.96510	11.4
95.08601	25.8
96.22498	9.3
96.63182	9.8
98.97583	12.7
99.04445	43.0
105.07021	20.8
112.67314	11.3
119.08555	25.3
121.10154	16.6
125.99294	12.1
133.10193	14.2
135.11693	17.0
140.00179	12.2
147.11690	15.5
148.35986	11.8
182.46133	12.8
192.24039	11.2
284.10229	13.1
297.98981	32.3
300.56473	12.5
303.23178	12.2
338.97025	14.8
380.31601	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30031	3.7
57.06802	6.1
57.07067	100.0
69.07040	7.8
69.89642	4.8
71.08620	65.7
77.45652	4.2
83.43397	4.6
85.10153	42.1
89.06018	79.6
95.98673	4.8
96.39446	4.0
107.07055	8.3
111.11685	6.2
127.54395	4.6
130.08650	21.6
133.08586	37.6
157.75740	5.5
177.11296	6.0
195.12296	44.0
289.47467	6.4
363.30994	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	380.337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	81.1
59.26185	4.2
69.79093	4.2
71.08620	59.8
85.10162	32.3
89.06021	100.0
89.14216	3.8
107.07070	5.2
111.11701	4.9
111.63815	5.1
130.08655	20.1
133.08611	36.8
137.06055	4.6
138.36839	4.1
151.09723	6.3
154.12843	4.6
156.34708	5.6
177.11238	14.2
195.12263	51.2
201.98688	4.6
250.99463	6.0
363.30893	37.5
372.94275	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	381.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	100.0
70.43310	15.7
81.07050	20.8
117.39014	18.5
138.63557	17.8
183.10149	19.1
184.48589	18.8
262.38055	23.5
294.85449	17.5
315.06558	27.5
318.06488	33.6
336.07150	27.8
341.08035	32.4
359.09064	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96386	6.7
53.30107	6.4
53.58942	7.6
54.94614	6.9
55.01859	9.4
58.89821	6.3
60.04510	38.1
65.77655	6.9
67.05474	10.9
69.03419	11.1
72.08141	61.9
73.08437	10.6
83.56388	8.6
84.08094	8.1
84.58388	8.9
85.02857	8.9
85.49162	7.2
91.05470	11.2
91.71043	10.2
93.07040	11.3
95.02644	7.5
95.08602	13.7
101.02319	10.1
119.08581	50.6
119.51739	8.7
120.08083	28.4
120.08908	15.4
121.08510	8.9
137.09622	35.7
142.08604	10.9
147.07985	12.4
187.10732	49.4
188.11168	10.1
201.11194	100.0
202.11600	26.2
210.15921	9.4
210.68745	11.9
215.10263	10.7
219.00584	52.3
381.06104	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.079
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05635	31.0
63.74545	7.8
70.06584	72.1
80.70943	11.4
112.08718	19.0
116.07126	19.8
137.61447	10.4
175.11858	100.0
194.77577	11.3
223.24977	11.6
241.57532	11.6
256.76740	9.9
258.13785	10.9
275.61798	12.6
276.48358	12.1
279.25375	11.3
314.61261	11.6
317.02722	10.9
329.84198	10.5
332.22614	11.7
370.21640	11.7
381.07907	41.2
381.12503	26.3
395.69666	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21903	14.6
53.35685	14.3
79.21347	18.5
96.85517	20.2
100.96576	17.4
101.17682	15.6
133.67458	20.3
137.50876	19.7
147.13818	17.9
195.51082	19.0
225.37570	18.4
233.66669	20.5
247.06419	19.8
264.67239	19.0
381.07669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46128	6.8
53.18934	7.5
75.19802	8.4
80.55116	8.2
91.71085	13.1
127.54545	9.0
128.32355	10.9
200.42928	10.9
215.13779	11.3
227.12823	11.4
295.70993	12.2
305.35703	11.5
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	381.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	19.0
60.04517	32.5
60.45033	11.3
65.98223	14.3
67.05497	18.0
70.06583	21.1
72.08138	100.0
84.04439	17.5
84.08147	21.6
84.51683	16.0
86.09714	20.4
91.05368	15.9
118.09772	17.6
120.08070	24.3
124.81893	14.5
134.59825	17.4
136.06186	19.6
142.31544	20.5
171.14925	33.4
184.33830	17.2
232.71849	19.1
245.84528	16.6
380.26416	27.7
398.73373	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24070	1.2
51.45462	1.4
54.08525	1.3
60.87884	1.3
65.29981	1.4
67.05489	1.4
74.94272	1.5
75.60369	1.5
79.05450	1.8
81.41100	1.6
86.24590	1.5
92.15199	1.8
109.10146	1.9
127.95369	1.7
137.09593	1.8
147.87932	1.9
163.00665	1.9
163.23586	1.9
165.09090	2.6
170.05824	1.8
173.06305	1.8
173.90884	2.0
303.91006	2.2
381.11526	100.0
402.98465	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	381.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85530	15.1
55.05505	18.3
57.07083	36.0
61.94696	16.0
71.18600	17.4
74.97836	17.1
76.30455	18.5
97.02963	17.2
103.84782	18.8
116.31297	20.9
116.98611	22.7
137.05966	100.0
194.44051	20.9
229.08292	20.4
259.24460	20.1
321.10385	28.1
344.11783	25.9
381.20718	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	381.1307
Annotation	Robustic acid
Peak:m/z	Relative Intensity
51.84938	3.6
62.00179	4.8
62.96394	3.8
65.52762	4.3
70.82217	5.2
170.23485	5.3
212.78682	6.2
243.80548	7.3
381.13049	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	3.1
66.33772	2.4
75.73637	2.5
80.56698	2.5
121.78311	2.8
129.06982	3.6
137.05986	8.2
138.07756	3.2
202.07758	10.9
203.08557	46.4
231.08058	33.9
232.08766	5.1
246.06667	14.5
248.08282	6.3
259.07416	8.5
260.08243	6.8
261.09036	21.8
263.10620	5.2
273.74173	3.0
275.07077	5.4
278.09445	3.2
289.08578	37.0
290.09348	3.8
291.06512	19.2
291.09998	7.9
306.08868	4.6
311.76950	3.9
321.11179	100.0
381.20837	5.5
401.64929	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	381.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08427	1.4
54.77257	1.3
54.78722	1.3
57.07061	4.1
63.71754	1.7
74.33878	1.4
77.03939	2.3
79.05488	6.5
81.07057	1.8
81.22096	1.7
85.06543	2.4
91.05479	2.9
91.71083	2.0
95.04957	5.2
103.05469	3.4
105.03401	2.2
105.07055	3.5
106.27013	1.7
110.51022	1.9
111.71539	1.6
128.06270	2.1
131.04880	2.0
133.06525	3.5
135.04414	100.0
137.05983	10.6
140.02861	1.9
145.06499	2.2
151.03903	2.5
159.04378	14.6
161.05969	5.6
175.07532	4.1
190.07808	2.3
191.08539	3.0
199.07561	12.0
202.07739	15.2
203.08527	26.3
215.08606	2.7
219.08122	5.1
220.08786	3.1
231.08044	27.0
232.08835	6.1
235.10907	2.0
247.07530	2.7
248.08327	6.6
257.11807	3.3
259.07574	19.8
260.08350	7.1
261.09021	10.2
263.10593	3.4
276.07800	4.0
289.08548	21.9
290.09476	5.1
291.10159	17.9
293.11707	2.2
321.11163	25.9
363.66971	2.0
381.20969	6.1
398.86493	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	381.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	3.3
59.06110	1.5
60.04507	6.8
60.05636	6.0
67.05496	2.1
69.07040	0.9
70.06577	11.9
72.08146	3.6
77.19212	0.9
79.05490	2.4
81.07043	2.5
83.06107	1.9
84.04494	2.4
84.71396	1.1
85.02888	1.1
85.07661	2.0
86.03547	30.7
86.04066	1.6
86.09691	3.8
91.05486	2.0
91.71077	1.7
93.07027	2.7
94.06493	1.0
95.08569	1.4
97.07651	3.8
105.07037	2.2
105.11871	1.0
107.08549	1.8
110.07156	1.3
115.08646	1.0
117.05804	1.3
120.08169	1.3
120.42431	1.1
132.08080	1.3
141.06606	2.4
150.05473	5.0
153.70683	1.2
172.77245	1.0
176.07082	3.1
203.08130	5.4
216.11308	1.2
234.12349	100.0
235.12604	2.5
241.01781	1.1
260.10217	13.3
278.11172	5.3
344.24274	1.6
380.26425	4.2
381.20956	2.5
381.26929	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	381.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23178	2.0
53.80315	1.9
54.67730	1.8
74.91459	2.2
82.48406	1.8
127.71091	2.3
381.15186	100.0
393.57263	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	381.152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19915	1.2
54.68474	1.2
66.35576	1.4
69.95608	1.3
76.22026	1.4
86.94032	1.8
98.82315	1.7
123.45131	2.1
141.78319	1.9
144.81821	1.7
175.12251	1.8
197.35143	1.6
381.15170	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32195	2.4
50.96443	2.3
55.56185	2.5
63.76921	2.3
67.05501	3.2
76.29040	2.5
80.08492	2.4
81.07067	2.9
85.02898	3.4
89.23649	2.4
91.05468	11.4
93.07067	3.1
94.04166	4.0
95.04945	4.7
95.08530	2.7
115.05444	6.7
117.06995	5.7
122.03611	8.5
123.04405	5.9
131.04904	4.5
132.05714	7.9
133.10086	3.2
135.04411	13.8
136.06186	9.9
137.05972	100.0
147.08055	3.0
151.07535	5.8
160.05125	4.6
175.07536	84.0
187.07607	3.8
189.09108	11.8
199.07405	2.9
201.09123	6.5
213.09116	10.3
217.04205	2.6
227.10446	4.8
239.10555	6.5
363.16104	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	381.1885
Annotation	Pro Gln His
Peak:m/z	Relative Intensity
53.54662	3.5
57.07058	5.3
57.89428	3.6
59.42525	3.3
59.96375	3.8
67.05474	6.7
137.83525	5.1
141.47139	5.2
220.97159	5.3
300.85419	6.7
381.18799	100.0
381.23099	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2059
Annotation	CHEBI:69294
Peak:m/z	Relative Intensity
54.60109	2.7
56.83181	2.2
57.07069	59.3
58.67290	2.4
67.42879	2.2
67.67535	2.5
79.05506	5.0
81.07050	19.7
85.06524	26.8
91.05475	15.3
95.04978	3.9
105.99543	2.8
109.06519	14.0
119.04928	4.9
121.06501	4.8
122.03647	6.8
131.08568	5.1
137.05975	100.0
151.07553	14.3
153.05472	6.6
165.06984	3.9
182.59302	3.4
187.07639	5.7
189.09160	5.2
213.09018	5.2
215.10699	3.9
221.09747	3.7
229.08661	5.7
279.98938	3.5
297.14954	15.3
381.20541	56.2
404.00201	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	381.2058
Annotation	CHEBI:69294
Peak:m/z	Relative Intensity
50.89463	1.9
52.27480	2.1
53.08535	2.2
57.07070	47.0
58.33243	2.3
61.09609	2.1
61.97190	2.5
67.05497	3.0
67.32468	2.4
68.75798	2.3
68.88159	2.1
69.07057	1.9
70.79610	1.8
79.05495	4.8
81.07051	15.4
81.74074	2.5
84.10229	2.3
85.06541	22.0
91.05469	15.2
94.04212	2.7
109.06527	10.1
111.04458	2.4
111.26890	2.5
119.04946	2.8
122.03661	5.4
129.06975	4.1
131.08578	5.0
137.05975	100.0
151.07524	16.0
153.05521	3.8
157.06456	3.5
159.08067	4.2
173.09637	5.3
175.07631	3.0
175.11171	4.8
189.09070	5.8
194.94604	2.9
199.07506	2.9
201.09059	2.8
228.37448	2.8
229.08569	4.5
243.13916	4.8
245.15471	3.8
246.92470	2.9
280.84686	3.1
297.14709	18.9
303.08243	3.1
381.20535	60.3
390.43604	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	381.2058
Annotation	CHEBI:69294
Peak:m/z	Relative Intensity
50.46957	2.6
57.06844	4.9
57.07070	55.1
58.46028	3.2
60.91159	3.2
73.75263	3.1
79.05503	4.9
81.07050	23.3
81.95735	3.7
85.06535	24.8
89.92627	3.4
91.05459	13.3
94.04203	4.8
109.06514	13.0
121.06580	5.2
122.03671	6.9
127.70240	3.8
131.04959	3.7
137.05975	100.0
147.07962	4.7
151.07529	11.1
159.65912	4.2
187.07483	5.0
207.83360	4.2
213.09242	7.4
229.08595	4.1
297.14774	14.5
321.67676	4.3
381.20618	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	381.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33816	2.8
57.07069	63.9
57.07323	6.5
58.60713	4.3
67.11637	3.0
73.61118	3.2
79.05501	8.0
81.07047	19.0
84.98051	4.1
85.06530	29.1
86.95325	3.9
91.05517	15.5
94.04128	3.9
95.04958	5.0
109.06548	14.7
119.05010	5.6
122.03679	6.1
129.07126	4.3
131.08604	5.7
133.34520	3.8
135.60606	4.1
137.05977	100.0
137.06924	6.8
151.07605	16.3
175.11256	6.3
203.41515	3.8
229.08723	4.8
257.15332	5.6
277.81714	3.9
284.36960	4.6
297.14758	21.6
381.20670	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	381.2057
Annotation	CHEBI:69294
Peak:m/z	Relative Intensity
57.06804	3.4
57.07066	55.5
67.05457	3.8
81.07047	18.9
83.04964	3.7
85.06528	23.4
91.05476	11.4
91.71082	4.7
101.69318	3.4
102.69198	3.3
105.06998	5.7
109.06533	17.4
119.04923	6.3
122.03628	7.1
131.08563	7.3
137.05968	100.0
142.27936	4.0
151.07573	15.4
154.35248	4.7
158.29680	3.4
180.87979	3.8
187.07556	6.3
297.14810	16.7
381.20609	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2057
Annotation	CHEBI:69294
Peak:m/z	Relative Intensity
51.56546	3.2
53.71233	3.4
54.23530	3.4
55.16761	3.8
57.07069	56.6
67.84510	3.9
74.51309	3.6
75.23830	3.7
81.07073	21.9
85.06535	28.1
91.05485	12.4
91.42699	3.7
94.04164	4.2
98.20102	4.2
105.07066	4.5
107.04985	3.9
109.06501	14.8
119.04977	5.6
122.03635	9.4
129.19730	4.5
137.05968	100.0
151.07500	10.0
175.11171	4.5
183.08015	5.7
189.09105	5.8
201.09036	4.7
215.10826	5.1
229.08603	5.6
261.19089	4.7
264.37738	5.1
272.94025	4.5
273.46371	4.0
281.11511	5.0
297.14893	19.7
336.27365	5.2
381.20587	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2058
Annotation	CHEBI:69294
Peak:m/z	Relative Intensity
53.00298	2.8
55.11843	2.5
55.26548	2.7
57.06801	4.4
57.07066	64.4
65.07816	2.5
78.43962	2.5
79.05492	4.0
81.07040	29.0
83.04973	3.3
85.06536	20.0
91.05458	14.6
91.71623	7.3
94.04151	2.9
99.90807	3.4
105.13535	2.6
109.06496	22.8
119.04932	5.2
122.03651	6.0
129.07014	5.8
131.08551	6.9
137.05969	100.0
151.07550	21.0
157.06444	3.1
159.08054	4.8
173.09636	4.7
175.11246	4.1
189.09079	6.0
201.09125	5.5
213.09178	3.9
229.08757	3.9
253.12294	5.0
271.29718	3.5
273.14832	5.1
281.11768	5.0
297.14801	18.1
381.20630	61.8
403.20258	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	381.2058
Annotation	CHEBI:69294
Peak:m/z	Relative Intensity
53.00292	3.9
57.06799	3.6
57.07067	50.9
62.29160	3.1
70.01994	2.6
75.97867	3.0
79.05457	3.6
81.07045	20.3
85.06530	20.9
91.05459	14.1
93.07033	3.3
94.04187	4.8
95.04958	4.5
109.06510	11.8
119.04987	4.6
122.03671	9.1
129.07040	6.4
131.04958	2.9
131.08504	4.6
137.05969	100.0
147.04347	4.4
151.07550	12.2
153.05418	3.1
161.76445	3.0
166.59256	3.5
175.11197	4.0
178.51665	3.0
182.39624	3.4
189.09154	5.9
213.09120	4.7
221.09605	4.8
229.08644	6.2
231.13736	4.5
243.13828	5.4
257.15485	3.5
281.12000	4.2
294.69156	3.0
297.14871	10.2
381.20636	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	381.2636
Annotation	Divaricatic acid (Pteronia)
Peak:m/z	Relative Intensity
53.00304	14.2
55.01855	35.1
55.05283	7.8
55.05502	59.5
57.07062	39.7
67.05502	100.0
69.07057	75.0
71.04982	22.5
71.08640	18.3
71.15780	9.4
75.66446	11.0
78.73217	9.0
79.05497	38.9
79.10735	8.5
81.03419	21.0
81.07052	89.6
82.88038	10.4
83.01347	20.6
83.04972	8.8
83.08613	56.1
91.05513	49.5
91.71027	10.5
93.07034	53.4
95.04961	26.1
95.08610	95.7
97.06553	13.1
97.10172	28.2
105.07028	36.1
107.08600	37.2
109.02892	11.4
109.10144	40.8
112.79890	10.4
117.07047	22.5
119.05012	12.6
119.08566	28.3
121.06490	13.0
121.10165	32.3
123.11671	10.9
127.03899	18.8
128.64574	10.2
129.01854	35.9
129.64374	9.6
131.08577	15.5
133.06555	12.9
133.10109	20.2
135.08025	11.0
137.13284	20.6
145.10236	12.0
230.82628	10.6
345.24191	13.7
381.26300	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	381.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	24.3
57.03413	8.7
57.07064	52.4
67.05492	93.5
69.07050	31.9
71.04993	6.6
71.08610	22.7
79.05471	43.8
81.07045	100.0
83.05032	6.0
83.08605	16.4
85.06536	13.0
85.10157	12.6
89.06015	15.7
91.05473	45.3
93.07028	60.0
95.08601	65.4
97.06515	8.5
97.10181	10.0
105.07030	25.8
107.08585	32.5
109.10169	33.7
117.07017	11.6
119.08568	18.9
121.10140	35.1
123.11712	12.3
129.05467	6.1
131.08569	28.2
133.10118	23.4
135.11708	31.9
136.74319	5.1
137.13167	6.7
142.36096	6.5
145.10139	32.3
147.11681	11.5
149.13263	12.6
159.11710	13.6
163.11162	6.7
163.14780	7.6
163.30119	6.6
163.31512	6.1
173.13251	17.8
175.14676	6.2
187.14819	9.5
189.16386	14.4
191.18008	7.6
195.12315	11.2
205.19482	12.5
271.24136	64.0
276.05981	6.0
285.21371	6.9
289.25244	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	381.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.4
55.05516	22.6
55.46893	5.8
57.03442	13.0
57.07085	17.8
57.72923	5.9
58.00373	6.7
67.05495	88.6
69.07073	21.6
71.05004	8.0
71.08632	11.2
79.05493	38.0
81.02843	6.9
81.07050	100.0
83.08628	11.0
85.06535	12.6
91.05493	35.5
93.07032	61.3
95.08588	65.3
95.09096	6.7
97.06528	9.2
97.10207	9.6
105.07063	24.1
107.08576	36.0
107.73505	7.7
109.10146	47.5
112.00208	8.2
117.07048	13.0
119.08616	27.1
121.10125	45.6
121.52863	8.0
123.11732	17.5
126.30190	7.2
129.05565	8.6
131.08606	30.0
133.10172	27.2
135.11708	40.4
137.13315	9.1
145.10181	29.2
147.09180	8.2
147.11726	13.2
149.13304	14.1
150.24965	6.7
156.12514	7.8
159.11716	14.6
161.13319	9.6
173.13264	24.6
187.14748	8.3
189.16545	8.5
205.19623	7.9
260.02545	7.2
260.55829	8.5
271.24179	54.6
279.80746	8.3
289.25293	58.2
359.93466	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	381.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	19.9
57.07071	29.7
60.47739	12.4
61.80987	9.4
67.05489	100.0
69.07067	23.6
71.08625	18.7
76.47331	11.8
79.05500	35.2
81.07050	99.6
83.08611	13.9
84.10481	11.5
85.06561	19.1
85.34464	12.3
91.05506	43.7
93.07070	43.5
95.08590	75.8
97.06548	16.2
97.10154	14.1
105.07023	14.5
107.08595	22.4
109.10191	23.1
119.08556	21.9
121.10191	52.1
131.08603	36.1
133.10194	20.2
135.11784	31.2
137.06023	13.2
145.10162	37.4
149.13312	13.7
159.11723	13.5
159.82462	12.3
161.13290	18.6
173.13281	25.0
187.14937	19.6
205.19583	17.3
213.98865	14.2
218.68660	14.4
219.36116	15.1
221.99879	15.3
233.65276	13.4
252.80962	14.4
271.24173	78.3
289.25168	59.9
301.86282	14.3
325.86105	13.9
354.24088	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	382.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56510	1.6
54.60197	1.5
60.04528	5.9
65.03947	2.5
70.27997	1.7
79.05489	2.5
81.07093	2.4
81.58841	1.7
83.04988	2.4
91.05489	1.8
95.05000	7.6
103.05452	18.8
106.06546	69.1
107.04957	5.0
107.08581	2.3
111.04464	4.6
111.23010	1.7
121.10159	3.2
127.78349	1.8
131.04918	100.0
139.03967	2.4
146.48207	2.6
148.07562	39.0
167.10707	2.6
168.98395	2.0
185.11745	2.1
190.08609	21.5
223.86218	1.9
305.10162	41.8
309.17249	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	382.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04519	13.8
62.11274	1.6
69.03417	4.1
70.06564	4.8
70.09745	1.4
72.08128	1.5
76.08539	1.4
79.05470	4.4
79.28911	1.5
83.04976	2.6
85.02892	4.4
86.09704	4.4
87.05576	3.8
91.05473	3.9
93.07069	2.1
97.02914	1.8
103.05457	20.6
105.07051	2.3
106.06543	56.4
107.04950	7.0
110.07186	2.4
111.04444	3.9
119.04963	2.2
131.04918	100.0
135.06816	1.9
136.06552	2.2
136.07564	20.4
148.07570	33.0
153.05516	1.7
160.07617	3.2
178.08640	4.8
190.08615	27.5
223.10741	21.9
251.10248	3.4
305.10327	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	382.1707
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
57.03432	2.1
57.07067	3.2
59.04980	2.2
60.04496	2.1
60.23735	1.6
60.68903	1.7
61.02902	2.2
67.05515	2.0
69.03416	4.8
69.07047	3.9
70.02940	4.0
70.06583	2.9
70.45938	2.0
72.04519	11.1
73.12827	1.8
74.87202	1.9
81.03397	3.1
85.02883	6.0
85.06524	7.7
86.09707	6.1
87.08101	2.1
90.05547	94.7
95.04945	4.8
97.02890	2.4
98.02420	7.6
103.07580	6.1
109.43148	2.0
110.07188	2.1
113.05994	2.8
116.03459	11.8
120.08118	2.0
124.07572	12.9
129.65784	2.0
136.07559	5.7
142.08630	8.0
160.09720	2.5
171.90099	2.0
174.11253	2.6
184.09682	12.2
189.43414	2.6
202.10741	25.1
207.11357	2.3
220.11789	100.0
250.22839	2.3
261.98077	2.7
345.27487	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	382.1719
Annotation	O-beta-D-Glucopyranosyl-cis-zeatin
Peak:m/z	Relative Intensity
55.08080	1.5
57.03428	2.3
60.04512	2.6
60.23129	2.1
61.02933	3.3
67.05502	2.9
67.66676	2.0
69.03415	13.6
81.03415	3.7
85.02902	16.2
90.03191	1.8
97.02908	5.9
109.02886	2.3
118.05527	1.9
118.70512	1.8
119.03629	2.0
119.08601	3.9
119.95020	1.9
120.01195	2.3
121.48688	2.3
127.03939	3.9
131.50743	2.0
136.06180	100.0
137.04666	2.2
148.06227	5.1
153.99248	2.6
185.08252	9.1
195.25955	2.5
202.10846	14.5
209.58147	2.0
220.11931	66.3
220.14012	3.8
230.34088	2.2
364.13812	2.7
382.17233	31.0
383.13300	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	382.1856
Annotation	Petasitenine
Peak:m/z	Relative Intensity
53.35540	4.3
55.05493	10.0
67.05486	31.4
67.27251	4.8
69.07037	9.4
71.50790	4.8
76.88296	5.1
79.05097	6.5
79.05470	37.9
80.04999	29.5
81.07045	13.1
91.05479	32.6
93.07037	29.3
94.06568	17.5
95.04989	11.9
95.08602	14.2
96.04485	25.7
102.01872	6.6
105.07022	17.6
106.06514	8.9
106.92371	5.0
107.04900	8.0
107.08576	7.5
112.03943	8.3
118.06560	8.2
119.08563	7.6
120.08067	7.8
122.06046	14.9
124.03925	33.2
128.03447	17.5
129.07028	12.0
130.06509	6.7
134.06058	10.9
134.31383	6.3
140.03421	19.8
147.11671	13.3
148.03935	7.8
148.07738	6.1
158.04492	16.0
171.11714	18.5
176.05566	10.4
189.12712	18.5
207.13828	23.8
244.13371	14.2
246.14975	10.3
363.76477	7.0
364.17618	15.1
375.04727	6.4
382.18634	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14248	2.1
52.09153	2.2
59.04984	5.1
60.04517	3.6
64.90415	2.2
69.07077	4.6
71.04974	12.8
77.14954	2.1
78.72701	2.3
79.05482	6.6
81.07052	13.4
85.02887	4.5
91.05468	3.8
93.07024	9.7
95.08607	7.9
97.06511	4.0
104.91009	2.9
107.04911	4.6
107.08556	6.4
115.03952	2.4
119.04970	2.7
119.71637	2.5
121.10132	45.9
123.11653	12.8
125.05984	4.0
125.09702	2.7
125.69943	2.4
135.04379	3.1
137.05969	4.3
139.11168	19.4
147.04361	4.0
149.09621	4.3
157.12245	2.6
161.06044	3.9
162.06763	3.4
165.24869	2.8
167.10655	21.6
185.11708	100.0
203.12773	11.1
220.11339	2.7
276.56857	2.8
298.51535	3.2
302.18686	2.8
308.80511	3.7
324.56937	2.8
327.58539	2.8
382.15677	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	4.1
60.04507	5.8
62.53631	3.2
67.05500	3.7
69.03424	6.5
69.07042	7.9
70.28592	2.9
70.57581	3.3
71.04974	12.4
72.27394	3.4
79.05486	5.6
81.07049	17.2
83.04896	3.9
85.02888	6.9
91.05482	9.8
93.07050	19.4
95.05006	3.6
95.08617	8.1
97.06533	4.9
105.07051	5.1
107.08575	9.4
109.10213	3.5
121.10136	44.6
123.11716	14.4
130.60799	4.5
137.05981	19.8
139.11171	19.0
147.04419	4.7
150.06676	5.4
161.06018	7.2
162.06796	9.3
166.76318	4.0
167.10628	29.3
185.11714	100.0
185.13365	5.1
196.69464	5.2
200.02396	3.8
201.06427	4.0
203.12827	10.4
285.74915	4.4
297.07428	4.4
350.00168	4.4
374.48904	3.7
404.72437	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	382.3467
Annotation	veratraman
Peak:m/z	Relative Intensity
63.89860	1.5
64.91667	1.3
65.39268	1.7
67.82502	1.4
71.34404	1.4
72.96243	1.5
73.18700	1.5
81.14302	1.5
88.04053	1.7
90.01369	1.7
91.71614	2.2
110.22898	1.9
159.10428	14.5
172.11194	16.3
173.12067	2.5
186.12654	2.2
214.16003	2.6
242.19232	2.0
256.20471	2.2
382.34659	100.0
383.34879	2.5
396.09967	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	383.0946
Annotation	Resorcinolnaphthalein
Peak:m/z	Relative Intensity
61.74782	2.3
64.42820	2.0
83.44006	2.8
99.49062	2.9
151.41292	2.6
185.04184	7.7
221.04172	3.7
258.82346	3.1
264.74991	2.9
383.09354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05973	2.2
69.18439	2.7
69.91251	2.5
77.53830	2.7
81.02847	2.5
89.71481	2.4
106.27222	2.9
185.04233	4.1
203.98628	2.6
219.04816	2.7
252.07321	3.3
383.09225	13.9
383.13287	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12268	1.4
52.56943	1.6
54.80999	1.5
55.01833	1.8
62.72300	1.6
63.24443	1.4
71.75623	1.6
73.38828	1.8
74.44788	1.6
79.12225	1.7
80.56087	1.8
106.33758	2.4
115.52581	1.9
117.37292	1.8
137.05978	8.1
189.09128	2.4
192.09337	2.3
202.07761	10.1
203.08527	24.0
205.06503	3.6
217.08705	2.2
219.08015	4.8
220.08865	9.2
221.09695	2.6
229.99048	2.6
231.08054	24.9
232.08862	7.6
245.09532	3.0
247.07542	6.7
248.08218	26.7
249.09161	4.8
259.07669	9.4
260.08353	6.9
261.09195	4.7
262.10010	3.6
263.10641	21.4
265.08658	6.6
276.07758	12.7
277.08551	8.2
278.05786	2.9
280.10818	3.3
290.09415	3.6
291.10123	46.9
292.10913	5.8
293.08084	17.7
308.10516	8.9
323.12726	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57742	1.7
57.49181	1.8
67.05472	2.1
71.26858	2.1
79.05483	5.3
81.07038	3.1
91.05459	3.8
91.71062	2.5
94.04179	4.4
102.18422	1.9
103.05453	2.2
105.07041	12.3
109.06522	4.2
115.05441	2.5
118.25965	2.4
122.03654	12.3
128.06233	2.5
133.06508	7.1
137.05977	100.0
148.37617	2.6
161.05971	30.6
184.05220	3.4
191.08575	4.1
199.07541	27.2
202.07791	13.2
203.08539	18.3
219.08104	6.3
220.08853	8.4
228.42998	2.2
230.07245	2.8
231.08015	24.3
232.08777	3.1
246.10541	2.3
247.07545	3.2
248.06087	2.6
248.08313	12.7
259.07510	19.9
260.08261	9.0
263.10608	12.0
276.07831	9.1
277.08432	3.3
291.10144	54.3
292.10895	6.6
295.13321	2.4
323.12775	16.4
383.24008	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	383.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
61.52153	9.0
84.94906	9.8
85.02856	15.9
112.28240	9.5
116.14297	9.3
128.30673	11.5
132.21814	12.8
137.05974	25.5
143.12120	12.4
184.70018	10.7
197.14333	11.2
203.08476	20.8
231.08009	14.1
239.36079	11.5
248.08412	11.7
263.10681	29.3
276.07855	16.8
291.10220	42.5
292.11127	12.2
323.12714	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87767	3.2
56.42961	3.4
104.58280	5.2
112.37843	5.1
123.64915	4.6
130.75737	4.6
132.28812	4.5
209.76357	4.9
214.89342	5.3
323.93161	6.2
383.16647	100.0
383.20911	7.8
400.52036	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72880	13.1
54.52082	13.6
55.05503	21.7
55.85518	13.1
57.03446	14.4
57.07069	36.1
57.71045	12.9
67.05511	22.8
69.07059	17.6
79.05497	21.0
81.07083	22.2
81.78086	12.5
83.04996	42.8
91.05471	22.4
93.07072	41.6
95.08622	24.9
101.06008	18.1
105.07050	46.2
107.08643	19.2
107.99603	14.6
117.07023	21.3
119.08616	24.7
143.08635	35.9
145.06522	27.5
145.10187	29.1
157.10109	20.7
161.05969	16.1
171.08130	27.1
173.09721	35.8
183.08009	17.2
187.11111	17.0
188.07149	19.3
189.09149	35.1
255.13908	21.3
273.14847	20.7
301.14597	30.7
319.15417	27.2
337.16470	25.0
347.15045	34.6
365.15707	100.0
383.21237	17.7
406.18793	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2062
Annotation	Cinncassiol C3
Peak:m/z	Relative Intensity
50.61050	2.9
55.05487	6.2
55.26885	2.6
56.96566	4.0
57.07068	51.0
62.14304	3.0
67.05499	7.1
69.03415	4.1
69.07056	4.2
79.05482	6.9
81.07048	7.0
83.01302	4.2
83.04977	6.0
83.08617	3.2
84.27139	2.9
91.05474	13.8
93.07043	10.4
95.04980	9.7
95.08605	4.6
105.07019	13.1
107.04913	4.4
107.08578	8.0
109.06507	8.1
109.10149	4.5
110.61725	3.0
111.04456	5.9
117.07009	6.4
119.08597	12.5
121.06536	5.4
121.10165	5.2
125.06058	5.0
129.06987	10.9
131.08536	4.5
133.06474	7.5
133.10121	7.9
135.08113	4.3
137.06017	8.3
143.08557	14.0
144.13263	3.3
145.06461	6.5
145.10089	8.2
147.08084	6.5
147.11670	3.8
149.05988	4.7
157.10098	7.8
161.05933	4.7
161.09554	4.6
171.08058	6.9
171.11710	11.1
173.09709	4.9
173.13316	5.6
173.41336	3.4
181.55283	3.3
185.09656	7.0
199.11192	14.0
212.59845	3.7
217.12288	13.0
227.10567	8.8
245.11705	4.7
273.18372	6.3
291.19571	11.0
299.17435	3.6
319.19055	16.9
323.12817	9.0
347.18533	32.2
365.19781	15.4
383.20581	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.24
Annotation	Lys Val His
Peak:m/z	Relative Intensity
55.71490	2.7
57.07060	3.9
57.60815	2.2
63.24162	2.4
71.57479	2.7
86.35294	2.5
98.95146	2.7
125.96533	3.1
136.44159	2.8
137.05954	23.7
149.05946	3.5
173.06531	3.4
184.50298	2.8
294.26712	4.3
383.24020	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2403
Annotation	Lys Val His
Peak:m/z	Relative Intensity
51.60906	1.7
81.07048	3.1
90.27025	2.6
107.89465	2.6
116.91839	2.6
139.45959	2.9
184.65916	3.1
211.44026	2.9
329.49377	3.1
383.24030	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37598	3.9
53.95586	3.7
55.05495	13.7
57.07727	3.8
59.53016	3.8
62.85634	4.1
67.05492	47.1
69.07040	11.9
79.05470	21.0
81.07039	51.8
82.96655	4.0
83.08595	9.1
91.05467	37.6
93.07034	29.7
95.04960	6.0
95.08578	31.7
95.71822	4.4
97.10149	4.8
105.07013	15.0
107.04947	65.4
107.08570	9.9
109.10135	11.6
117.06982	8.6
119.04928	28.9
119.08568	18.1
121.06436	5.3
121.10126	20.2
123.11665	13.4
131.08534	10.0
133.06462	14.8
133.10121	19.3
135.11691	12.3
137.62305	5.0
145.06494	6.3
145.10110	8.5
147.04399	100.0
147.08083	6.4
147.11737	9.1
157.06532	13.3
161.05940	5.8
165.05423	21.3
165.09058	7.8
170.12654	5.4
183.08081	10.3
185.09619	7.0
188.65532	4.8
197.09578	5.8
199.34500	5.1
232.53447	5.2
261.22052	10.5
268.61725	4.8
289.21567	19.9
355.26343	15.5
368.37726	4.9
383.25784	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	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58011	4.5
55.05498	11.6
67.05493	37.1
69.07053	5.8
79.05475	20.3
81.07039	46.5
91.05461	31.1
93.07028	20.6
95.08600	22.8
105.07021	9.3
107.04948	40.9
113.98192	5.1
117.06984	5.6
117.71403	5.0
119.04957	19.6
119.08557	12.0
121.10152	15.0
131.08611	10.7
133.06483	6.4
139.25247	6.2
147.04411	100.0
153.10725	5.4
157.06531	9.3
165.05470	19.0
261.22025	9.5
271.82880	6.4
289.21432	6.9
355.26169	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.4
55.05491	19.8
57.07063	28.2
64.90535	12.4
67.05484	51.6
69.03416	19.8
69.07041	21.3
74.44648	11.5
74.73937	11.4
75.32509	10.7
79.05490	31.5
81.07039	60.4
91.05492	54.9
93.07037	100.0
95.04958	41.4
95.08591	53.9
104.29265	14.5
105.07030	63.3
107.08605	37.8
109.06503	23.9
109.84973	12.3
111.08144	15.1
117.06999	17.5
118.40859	12.0
118.91547	12.6
119.08601	54.0
121.06523	21.3
121.10151	55.5
123.08077	31.7
129.06985	17.8
131.08577	32.4
133.10135	53.9
136.50087	13.5
143.08556	20.6
145.10130	47.6
147.08093	23.3
151.07582	35.4
157.10164	38.7
159.11685	18.9
161.09628	22.7
161.13374	13.5
165.09087	33.6
175.11296	20.3
203.14333	17.5
207.13565	16.1
221.15378	66.2
313.82895	13.5
344.31665	18.4
383.25900	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	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
54.22229	4.5
55.05496	19.6
57.07064	13.7
59.04999	6.8
67.05496	40.1
69.03416	17.2
69.07066	16.8
70.88510	4.8
71.04993	5.7
72.03153	4.6
72.38934	5.2
77.68993	4.9
79.05482	26.9
81.07054	39.0
83.04969	7.7
85.06531	6.6
91.05463	45.1
93.07038	100.0
95.04982	35.3
95.08599	45.4
97.06517	12.4
105.07019	91.3
107.08582	47.1
109.06520	31.6
109.10153	17.6
111.08106	11.8
117.07001	16.7
119.08575	51.1
121.06523	17.0
121.10158	43.0
122.69189	5.4
123.08070	32.6
128.06247	13.5
129.06995	14.7
131.08548	29.3
133.06482	8.6
133.10120	29.8
135.08058	19.9
140.27715	5.9
142.07773	20.1
143.08582	24.8
144.19171	5.7
145.10086	32.7
147.08066	24.3
147.11667	10.4
149.09627	22.7
151.07497	35.5
151.90701	5.7
155.08571	9.3
156.09312	8.1
157.10158	26.2
159.11748	17.3
161.09601	16.2
161.13239	9.9
165.09143	31.3
171.11653	14.2
173.09650	8.4
173.13348	8.1
175.11209	16.7
175.14758	8.1
177.09151	10.6
185.13292	10.6
189.12759	7.4
195.11754	7.6
197.13210	7.1
201.12778	9.0
203.14272	27.4
207.13715	7.3
215.14478	7.0
221.15318	58.9
285.18661	8.3
287.20074	7.5
372.32111	6.9
383.25620	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	383.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	17.5
55.89825	12.0
57.07064	14.6
65.03926	11.9
67.05492	53.1
69.03417	27.2
69.07066	14.6
71.05040	11.5
77.34865	11.6
79.05482	51.6
81.07043	45.7
91.05456	67.1
93.07034	100.0
95.04955	28.8
95.08611	42.1
105.07032	87.7
107.08600	59.3
109.06519	22.2
109.10165	27.0
117.07059	15.5
119.08588	64.9
121.10159	43.7
123.08086	33.3
129.07037	18.3
131.08543	26.5
133.06444	15.5
133.10179	31.1
135.08017	33.8
142.07834	18.7
143.08556	29.2
145.10152	30.4
147.08038	17.1
147.11700	20.5
149.09579	21.7
151.07547	39.7
154.06638	12.9
157.10161	23.0
159.11694	20.0
161.09637	23.3
165.09116	43.0
173.09628	17.9
175.11118	15.0
177.09135	16.4
185.13313	16.6
201.41891	14.4
203.14380	34.0
213.12753	15.9
220.58850	14.3
221.15439	81.0
295.08029	16.7
337.92447	19.8
383.25812	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	383.3305
Annotation	17-(4-cyclopropylidene-1-methyl-butyl)-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Peak:m/z	Relative Intensity
55.03564	5.5
55.05497	16.5
57.07064	19.4
59.96175	5.7
63.34232	5.1
65.15110	6.1
67.05488	38.3
69.07069	38.0
71.08626	12.3
78.37907	6.1
79.05474	15.7
81.07054	52.1
83.08618	20.6
84.66975	5.9
91.05468	24.9
91.71638	14.5
93.07044	25.7
95.04941	6.1
95.08600	100.0
97.10204	7.0
105.07024	41.9
107.08588	26.4
109.10150	37.9
117.07008	15.3
119.08591	29.8
121.10143	15.9
123.11695	17.0
129.07034	7.7
131.08582	18.9
133.10127	29.4
135.11684	14.7
142.07791	8.9
143.08548	14.1
145.10124	35.8
147.11699	28.3
151.59122	7.0
155.08653	7.7
157.10124	34.6
159.11696	27.4
161.13245	14.6
161.41684	7.1
171.11719	13.3
173.13300	15.3
175.11151	31.0
177.12622	7.0
189.12659	7.0
211.14639	8.3
211.26672	7.6
253.19383	11.1
365.32043	44.6
383.33038	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84327	2.8
60.04813	2.8
60.50262	2.6
78.06645	3.2
81.44673	3.0
88.12316	3.6
91.71542	3.3
108.49184	3.3
116.48692	3.0
117.07015	4.6
130.06525	4.7
133.25127	3.3
143.07343	5.5
145.09300	3.2
173.42966	4.2
178.77580	3.4
206.09631	3.7
232.11273	5.7
233.08368	4.6
234.09160	20.1
235.10020	4.7
236.10803	10.4
246.09244	6.4
247.09959	6.7
248.10756	25.6
260.10791	12.4
264.10269	10.5
277.13391	16.6
278.11774	5.9
289.56589	3.8
306.11154	5.2
323.14050	6.0
338.14923	5.2
367.12845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1876
Annotation	dihydrozeatin-9-N-glucoside
Peak:m/z	Relative Intensity
58.48529	2.6
69.03425	8.1
69.07057	8.0
70.67197	2.5
85.02894	8.2
93.13072	4.0
97.02906	8.0
119.04186	3.4
136.06186	40.5
148.06194	13.7
165.49973	4.4
187.81972	3.6
204.12419	8.5
222.13490	100.0
384.18768	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	384.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91642	2.6
55.05449	3.0
58.65868	3.2
67.05484	6.6
69.03432	3.5
69.07047	10.6
78.10406	3.0
81.03426	3.4
81.07037	23.7
85.02852	4.2
95.08572	4.1
109.10149	24.9
123.11695	100.0
137.05923	4.0
151.11198	7.6
169.12241	32.1
184.18567	4.4
187.07541	7.2
187.13268	23.9
227.10663	8.5
272.06116	3.8
275.93387	3.5
326.10303	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	384.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91642	2.6
55.05449	3.0
58.65868	3.2
67.05484	6.6
69.03432	3.5
69.07047	10.6
78.10406	3.0
81.03426	3.4
81.07037	23.7
85.02852	4.2
95.08572	4.1
109.10149	24.9
123.11695	100.0
137.05923	4.0
151.11198	7.6
169.12241	32.1
184.18567	4.4
187.07541	7.2
187.13268	23.9
227.10663	8.5
272.06116	3.8
275.93387	3.5
326.10303	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	385.0313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04333	2.6
64.26864	2.7
98.97592	4.5
114.60992	3.4
119.01918	11.8
134.99715	5.8
137.02867	3.5
139.28725	3.5
140.00130	5.4
142.03514	11.0
158.01288	7.9
165.05122	4.2
169.22546	3.7
169.91211	4.7
177.00949	24.4
181.02847	5.9
187.17314	4.3
200.02504	16.5
219.02017	31.9
223.04204	5.1
225.00935	7.3
242.03546	29.3
242.38313	3.2
243.01891	4.4
261.03021	77.7
265.05194	16.9
266.03540	26.5
284.00107	9.7
284.04611	88.6
285.04770	6.8
300.02438	4.7
301.01077	7.5
302.01242	15.4
307.06204	100.0
308.06430	6.9
323.03986	4.9
324.02747	8.9
325.02777	20.8
344.02213	5.3
367.03885	4.7
385.03195	6.4
403.04242	7.8
408.04660	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	385.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50024	40.6
53.77947	40.3
54.15395	46.3
60.84059	41.2
63.86829	36.8
79.69059	44.1
80.33134	47.2
80.48602	40.9
81.43262	39.7
97.37351	47.5
111.12015	47.5
112.66934	44.4
127.63323	45.6
160.60205	55.3
221.63281	48.6
242.53053	51.7
243.78485	53.6
385.08740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0918
Annotation	Nidurufin
Peak:m/z	Relative Intensity
51.96584	1.5
55.01853	6.5
60.96590	1.2
62.13014	1.2
65.03919	5.8
68.99784	2.2
69.18992	1.2
69.56000	1.4
70.17757	1.4
77.01793	1.4
83.71696	1.5
87.10740	1.3
91.05468	2.6
105.07020	2.1
109.02858	2.1
115.05479	3.8
119.04914	9.7
121.02866	2.3
122.42612	1.6
131.04974	1.6
133.06512	3.7
135.04388	18.6
137.06018	2.7
139.03920	3.0
143.04936	4.8
147.04398	14.3
149.02332	100.0
161.05927	4.3
167.03439	2.1
173.06004	3.8
173.71803	1.8
177.05452	16.7
191.03406	8.3
191.06984	10.4
215.03392	2.1
327.08456	1.9
355.08221	2.3
385.09039	11.9
385.20840	2.2
387.00220	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	385.128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	31.7
64.50463	32.2
76.26653	30.7
81.79445	37.6
91.00173	34.4
91.05466	32.6
93.07085	36.3
95.04987	37.4
107.04996	35.7
126.78680	32.6
163.16118	35.7
165.05565	94.8
166.15689	38.5
181.25833	32.0
189.05415	67.1
193.05038	41.6
277.08771	46.4
337.10855	76.4
349.10806	100.0
355.11981	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	385.128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	31.7
64.50463	32.2
76.26653	30.7
81.79445	37.6
91.00173	34.4
91.05466	32.6
93.07085	36.3
95.04987	37.4
107.04996	35.7
126.78680	32.6
163.16118	35.7
165.05565	94.8
166.15689	38.5
181.25833	32.0
189.05415	67.1
193.05038	41.6
277.08771	46.4
337.10855	76.4
349.10806	100.0
355.11981	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	385.128
Annotation	Calebin A
Peak:m/z	Relative Intensity
58.29327	0.7
60.98589	0.8
61.48027	0.6
64.95724	0.6
65.01696	0.7
65.03928	1.6
66.41098	0.6
67.05480	0.7
67.35883	0.7
69.93458	0.8
77.03945	0.8
79.05485	3.6
91.05450	1.2
95.04968	3.5
96.41938	0.8
97.87900	0.8
105.03400	2.7
115.05447	1.6
115.15162	0.9
115.41743	0.8
135.04410	100.0
137.06030	1.4
138.73969	1.0
145.06487	1.8
147.04398	1.0
149.02341	2.6
167.07021	7.8
173.06027	3.0
181.04935	12.5
201.05492	1.5
205.08585	1.5
235.09634	2.5
283.83496	1.1
355.11581	7.3
385.09146	2.1
385.12964	19.8
389.26376	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1287
Annotation	S-Adenosyl-L-homocysteine
Peak:m/z	Relative Intensity
70.06596	1.5
79.49081	0.9
86.09708	1.1
88.02209	64.5
97.02930	3.2
99.04474	1.5
102.05570	1.0
107.53770	0.7
109.22913	0.7
132.42111	0.9
134.02716	67.3
136.06186	100.0
137.04565	1.5
141.93762	0.9
146.59657	0.9
148.04382	1.1
250.07426	5.2
271.74637	0.9
279.07043	1.1
378.15347	1.0
385.12943	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	385.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52506	6.6
56.96558	97.0
66.58595	5.9
85.36681	8.3
91.71085	8.2
97.99201	11.0
114.86077	7.4
177.04333	12.3
183.31013	7.0
185.22234	7.9
195.05365	9.3
200.05978	18.9
209.04836	11.6
217.07468	10.2
223.07739	8.9
234.08058	8.1
236.35826	8.8
250.18912	8.0
250.22115	6.9
259.10257	10.6
277.11139	42.5
295.12177	31.9
300.12643	96.2
304.47144	7.8
318.13770	100.0
341.15378	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46722	1.7
70.06571	5.5
71.93343	2.1
72.08144	6.9
76.03992	5.0
81.44527	1.7
85.02894	2.1
107.04952	4.8
116.07075	2.8
119.26399	1.6
125.28294	1.9
129.14075	1.8
142.42647	1.9
164.52303	1.9
177.08858	6.5
185.04202	2.8
205.08371	7.7
223.09399	83.9
254.19044	2.5
266.25198	1.9
356.75589	2.2
385.14664	100.0
385.62003	1.9
386.14914	3.7
390.03229	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	385.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16994	1.1
59.74819	1.3
62.46838	1.4
64.78049	1.4
70.06581	8.3
71.93343	1.6
72.08125	4.5
76.03983	3.6
84.04500	2.0
85.02868	2.2
86.09687	1.7
91.61722	1.5
91.71126	1.9
100.11185	2.0
107.04952	1.9
131.04936	2.2
133.70659	1.6
147.71613	1.5
175.93854	1.6
177.08875	6.4
205.08334	6.2
223.09393	82.8
252.24649	1.8
261.19141	1.7
385.14658	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99857	0.8
55.05497	1.4
65.54278	0.8
67.05495	1.0
68.99783	1.6
71.01205	0.8
73.56248	1.0
83.04968	3.3
91.71069	1.3
109.99186	0.9
111.04360	1.0
117.07044	2.1
123.04424	1.1
153.05447	3.1
163.03781	1.6
166.64587	1.1
167.03381	100.0
170.02167	1.5
177.05461	1.4
190.06245	1.3
205.08615	4.1
223.09631	54.2
265.22327	1.2
281.11386	1.0
361.03809	1.2
407.90164	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58671	6.4
55.08589	6.3
57.07051	6.8
60.35769	6.7
60.40764	5.8
66.73616	7.2
74.56692	7.9
79.05461	8.8
81.07034	9.9
85.58916	6.6
89.16863	7.0
91.05497	8.2
95.04940	9.7
103.05460	14.2
105.07050	9.7
109.06544	7.8
131.04933	30.4
131.08578	9.2
135.04419	47.6
137.02339	15.6
137.06010	9.4
139.04750	8.2
153.38545	9.0
162.63170	7.8
163.07532	12.3
219.17418	12.5
221.09134	9.1
232.41075	8.6
385.12045	14.2
385.16440	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31493	2.9
57.48483	2.5
60.07729	2.8
65.61514	3.0
67.05486	3.9
67.40990	2.6
70.76993	3.3
79.16008	3.0
79.23563	3.1
86.36111	3.2
91.05470	6.7
95.04981	3.6
121.02842	11.3
131.04816	3.6
133.15077	3.4
135.04417	13.1
137.05945	5.4
147.04385	6.7
149.02307	6.2
149.12053	3.1
153.05623	3.9
158.67735	3.8
191.07193	3.9
245.15390	6.5
385.11267	5.7
385.16205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17360	2.1
69.60936	2.5
80.66097	2.3
94.20362	3.0
128.60007	3.5
159.34435	2.9
232.64128	3.7
240.03543	4.2
241.61981	3.0
357.85864	3.4
385.16129	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06805	6.0
57.07069	100.0
68.31299	5.6
79.05502	7.2
81.07027	8.5
83.04985	7.5
85.06528	39.6
91.05479	21.9
96.27338	5.0
105.07019	15.5
107.04945	6.3
109.06508	37.0
117.06978	7.2
119.08614	20.3
121.06515	9.0
121.85438	5.5
123.03018	5.1
124.19128	5.4
126.26123	5.5
129.06999	11.8
131.08563	5.4
137.02325	64.6
143.08614	7.7
147.08061	26.1
157.37447	5.9
158.07231	11.4
175.03864	6.5
231.13715	7.8
241.08664	19.7
283.09512	33.5
301.10657	53.4
367.15509	9.7
385.10736	6.8
385.16269	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	385.1644
Annotation	CP-Dpm-GA
Peak:m/z	Relative Intensity
55.05476	8.8
57.07072	56.3
60.48703	6.3
67.05489	6.3
79.05469	17.6
81.07050	74.7
85.06544	34.8
91.05465	18.2
94.04166	9.4
95.04978	9.6
95.08554	7.3
105.07036	32.6
107.04954	18.5
109.06505	100.0
119.08569	22.0
121.10104	7.4
129.07025	9.0
131.08595	14.7
135.04443	10.6
137.02321	92.0
137.09636	13.4
145.06435	15.2
147.08066	40.9
148.08855	19.0
175.07613	17.3
189.12575	7.8
203.14360	11.2
231.13742	60.2
233.15407	29.5
252.92728	7.6
277.10791	9.4
283.09619	28.5
285.22421	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07058	45.4
64.10468	7.1
67.05501	10.5
68.95941	7.2
75.50136	6.9
78.45758	6.8
79.05484	11.4
81.07055	80.0
83.92572	8.2
85.06567	21.2
91.05476	23.9
91.71598	8.9
95.08586	12.9
107.04989	29.5
109.06489	74.8
115.72015	8.3
119.08567	14.0
126.20892	8.6
129.07089	13.3
131.14659	8.2
137.02336	100.0
147.08121	30.0
148.08925	8.9
231.13878	40.9
232.14590	11.1
233.15454	24.5
283.09729	41.4
349.74670	11.0
385.16528	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	385.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85865	35.4
56.71010	35.1
57.07085	64.5
63.78280	34.3
64.52235	43.8
69.03422	41.6
81.07033	46.6
87.86573	37.4
91.05479	50.6
92.45819	49.1
95.08581	41.3
107.04977	65.0
108.16017	45.6
128.94710	48.2
137.02350	100.0
140.23315	42.7
140.67519	43.6
150.10486	42.4
158.42165	44.4
164.11201	39.7
164.61790	42.1
231.13815	69.8
289.17014	53.6
319.15244	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	385.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	9.4
56.52174	6.9
57.07065	18.3
67.05495	19.0
71.04957	12.7
79.05438	9.9
83.04971	13.6
91.05452	12.1
93.07005	10.2
95.08592	30.8
97.10204	9.8
104.50928	8.8
105.06998	22.0
107.04964	9.4
107.08598	19.5
113.05997	100.0
137.05978	18.5
139.03879	19.7
144.68100	8.7
145.06316	9.4
151.07587	8.8
157.10150	11.6
159.11713	10.0
177.05440	12.4
179.06955	11.6
181.08559	61.2
193.12141	10.8
216.29286	12.1
247.09590	13.1
249.35869	10.0
268.13675	10.2
331.15225	21.9
336.71606	9.6
349.16251	16.6
367.16992	11.1
385.12589	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	385.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.1
55.05499	6.2
57.07060	1.6
64.90670	1.1
67.05481	1.5
67.45899	1.3
69.03419	1.6
69.07058	100.0
70.06572	1.6
71.04959	1.2
75.91384	1.2
77.00625	12.7
83.08629	1.4
85.02889	4.4
86.09686	2.6
91.71645	2.8
97.97875	1.4
105.27425	1.3
106.09372	1.4
111.11701	14.2
117.33206	1.2
118.03220	1.9
122.44714	1.2
205.12573	21.9
223.13608	57.1
270.72858	1.4
271.09906	1.4
295.93826	1.4
332.05475	1.6
349.51196	1.3
385.18161	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	385.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78242	13.6
56.96555	33.5
64.28610	16.8
74.87760	16.2
89.35816	16.3
90.25482	19.9
107.05071	20.5
135.04413	78.6
152.04137	20.4
205.86406	18.2
277.90411	20.2
289.20102	20.9
295.13751	23.9
349.16968	36.8
385.14026	20.5
385.18979	100.0
390.19498	30.6
408.20447	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	7.3
53.65417	5.6
55.01859	8.4
55.05493	26.4
57.03426	11.8
57.07071	6.7
60.59605	8.1
65.28883	6.9
67.05498	82.5
69.07058	39.4
71.04972	10.6
71.46430	5.7
72.72072	6.0
76.20145	6.1
77.80087	6.3
79.05476	30.9
79.12745	7.8
81.07046	86.0
83.04961	6.8
83.08589	10.3
83.58569	6.3
85.06542	10.9
91.05470	33.0
91.71677	7.8
93.07041	49.2
95.08600	71.7
97.06539	9.6
97.10178	13.2
105.07033	12.8
107.08578	25.2
109.10149	29.0
117.07064	9.9
119.08590	8.2
121.10130	23.2
131.08548	13.3
133.10139	9.6
145.10194	10.3
147.11719	10.1
149.02353	16.4
257.19147	11.7
265.21713	10.7
275.20001	38.9
293.21075	100.0
311.22107	10.5
334.97012	7.8
335.37677	8.4
367.24866	14.5
370.54721	9.9
385.25745	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	385.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24877	11.4
50.36482	11.1
54.62535	13.0
54.80877	11.2
55.05501	29.3
56.96558	15.4
61.49123	12.6
62.62916	12.9
65.83015	13.2
67.05510	96.5
69.07074	20.3
79.05483	43.1
81.07062	100.0
89.19196	14.8
91.05450	42.9
93.07037	68.0
95.08091	14.0
95.08601	88.4
96.43056	15.7
107.08601	27.6
109.10093	23.6
121.10148	54.3
133.10149	26.4
135.11761	30.2
136.97520	16.6
137.22542	16.7
215.17911	20.6
233.19069	23.8
325.23721	43.8
330.50650	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	19.4
57.03440	19.1
67.05141	3.7
67.05495	100.0
67.05821	5.7
68.80299	4.0
69.07086	21.8
71.05009	4.7
79.05492	31.6
81.07053	98.3
83.08630	22.4
91.05471	26.6
91.31659	4.1
91.34639	3.8
93.07027	54.7
95.04987	9.1
95.08601	86.1
95.09146	6.7
97.06570	15.0
97.10191	6.4
105.07059	18.9
107.08599	24.9
108.59531	5.3
108.83489	5.3
109.09533	7.1
109.10144	35.2
111.08133	10.9
117.05521	11.8
119.08600	13.7
121.10120	35.6
123.11738	15.3
131.08635	9.3
133.10127	26.4
135.11693	28.3
137.09637	10.5
142.06128	5.2
145.10133	5.6
147.11594	7.8
151.11195	10.9
170.19720	5.3
215.18039	12.9
233.19121	13.8
246.94548	4.9
251.20172	18.3
288.89249	5.9
320.43491	5.9
325.23785	43.2
385.25995	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34951	1.3
91.05483	1.6
92.46226	1.7
93.38302	1.7
95.48165	1.5
132.30347	1.9
143.09146	1.8
184.30258	1.8
218.89224	2.0
261.65588	1.9
308.21048	2.3
385.29208	100.0
386.29419	2.6
405.85410	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33123	2.0
57.40843	2.0
59.57546	2.0
60.64567	2.3
62.38097	2.4
62.55945	2.9
63.70442	2.3
81.32742	2.4
85.09568	2.4
85.29840	2.6
86.52316	3.0
109.81165	2.4
111.20554	2.4
385.29221	100.0
388.61502	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	385.2921
Annotation	Kalkitoxin thioamide alcohol
Peak:m/z	Relative Intensity
54.38910	1.8
56.48645	1.7
74.54000	2.0
78.15780	2.0
79.78987	1.9
81.07071	1.9
84.76659	2.2
87.57425	2.1
91.66624	2.0
190.79883	2.9
276.50400	2.3
385.29218	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	7.3
55.05515	17.1
67.05496	100.0
67.37849	5.2
69.07074	22.7
71.05008	18.2
78.91841	6.0
79.05505	22.4
81.07049	89.6
83.08620	7.0
85.06557	20.8
91.05502	18.6
91.71469	8.0
93.07033	43.5
95.08599	83.9
97.06586	5.2
104.99302	9.9
105.07059	12.3
107.08633	26.0
109.10147	36.3
119.08594	13.6
121.10132	44.1
121.26196	6.3
123.11764	13.6
133.10162	14.7
135.11763	22.2
137.13358	7.4
138.36166	5.7
147.11665	9.2
149.13298	14.8
160.77431	8.5
177.16460	6.3
355.42377	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	386.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42652	2.9
54.41899	2.9
57.03421	17.4
59.04994	4.9
59.24141	3.4
61.02913	4.1
69.03421	76.7
73.02898	4.6
75.04440	6.4
80.09408	3.6
83.04974	4.3
84.04458	5.2
85.02892	100.0
87.04458	59.4
97.02880	67.7
99.04455	4.6
101.67398	3.2
109.02852	6.6
115.03916	65.7
122.89321	3.3
127.03914	13.5
133.04965	50.0
145.04961	27.4
150.07585	6.6
163.06000	9.2
163.28377	3.7
174.07664	5.9
212.10150	3.6
237.13470	4.6
244.67477	4.3
370.34491	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	386.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01802	1.8
55.01860	3.2
55.30333	2.1
57.03423	31.9
60.86075	2.1
61.02901	8.9
63.77937	2.0
65.49081	2.3
69.03416	29.5
72.51496	2.4
73.02905	51.9
81.03410	7.1
85.02895	100.0
86.36811	2.1
91.03938	3.7
91.71711	2.2
97.02885	42.1
99.04426	4.2
109.02886	7.9
115.03916	26.7
127.03920	26.4
133.04955	3.0
145.04950	42.9
150.07593	2.9
163.05980	18.9
204.08528	2.7
237.13377	3.5
241.07095	3.4
249.82779	2.7
249.86386	2.8
295.10217	3.3
335.81363	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	387.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31778	5.3
53.63374	5.3
75.14163	7.5
75.44299	6.2
79.57853	6.9
85.90712	6.4
93.07063	8.0
97.97850	6.5
152.87746	7.1
225.11020	11.5
267.06729	15.9
344.46097	7.9
387.10492	100.0
387.16129	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	387.1074
Annotation	Diferulic acid
Peak:m/z	Relative Intensity
55.01862	14.9
65.03935	6.9
68.13171	3.8
68.99783	53.9
73.25905	3.7
74.65066	4.3
79.05495	5.4
81.07080	4.0
83.78851	3.9
89.69397	4.5
90.70641	3.9
91.05497	4.7
95.04984	7.6
103.05444	5.3
107.04964	4.4
115.05499	9.0
117.06972	5.8
119.04942	13.4
121.36687	5.4
123.04433	13.9
131.04901	8.6
135.04413	57.4
137.05992	16.7
139.03940	4.4
145.06395	7.2
147.04407	22.2
149.02341	100.0
149.03523	7.4
151.03862	5.7
173.05986	7.7
175.03938	6.6
175.07516	7.2
177.05508	19.9
191.03383	89.5
191.04985	8.0
191.07028	6.8
201.38028	4.4
241.22739	4.7
251.06964	7.0
266.22830	4.7
275.06833	6.8
309.07745	14.6
321.07675	7.7
339.08450	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	387.1074
Annotation	Cleomiscosin A
Peak:m/z	Relative Intensity
50.13010	9.3
55.01853	32.3
55.59581	9.3
56.53746	10.1
57.07066	24.4
65.03929	14.3
79.05471	41.5
80.33357	10.6
82.62203	11.0
82.67503	10.6
85.02888	17.6
91.05476	70.7
91.71040	12.7
94.04156	18.9
95.04974	39.3
96.61835	10.7
103.05461	14.6
105.03417	21.6
105.07014	11.8
106.04151	26.2
107.04954	53.4
109.06485	15.7
115.05447	13.2
117.07023	14.8
118.04175	11.9
119.04965	12.0
121.06516	23.0
122.03558	14.2
123.04444	13.0
125.05996	12.6
125.23563	13.5
131.04929	23.4
133.02809	15.2
134.03633	18.8
135.04375	91.2
137.05972	100.0
146.03645	19.1
147.04424	19.6
149.02301	25.1
149.06000	33.4
151.03900	22.5
153.05472	33.6
163.03879	81.7
165.05487	40.2
165.06924	15.2
167.03433	40.9
167.07062	45.6
175.03897	13.2
177.05457	60.8
178.06297	47.6
191.03452	20.0
191.07083	18.0
193.04979	48.5
195.06444	13.7
203.07036	19.0
205.04959	56.7
233.15491	22.4
235.06099	22.3
272.69104	16.1
343.08124	32.7
344.17450	12.8
357.09872	23.9
387.10358	30.6
387.14777	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	387.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70642	5.5
55.01870	31.0
55.05505	9.7
57.07083	23.2
65.03954	13.8
67.05515	12.4
69.03440	14.7
78.52486	6.7
79.05499	36.6
81.03420	9.2
81.07055	19.2
83.08638	10.0
85.02919	8.8
85.06556	11.9
91.05495	27.0
93.07057	19.6
94.04225	8.2
95.04979	22.9
95.08591	12.2
103.05487	17.1
105.03441	13.1
105.07048	10.8
106.04185	9.9
107.04948	37.4
107.08660	6.4
109.06538	8.9
111.04499	10.3
111.08107	19.0
115.05499	11.2
119.04910	8.4
119.08617	9.4
121.06554	23.6
122.03674	13.0
131.04947	7.9
131.08583	8.7
133.02902	11.4
134.03674	7.4
135.04427	43.1
137.02362	41.8
137.05963	100.0
137.06920	7.1
138.06392	9.8
149.06033	31.6
149.09595	44.2
151.03943	23.7
153.05537	21.6
163.03981	22.0
165.05562	22.8
167.03473	19.7
167.07031	34.0
168.97205	8.3
177.05539	25.8
177.09113	10.1
181.05020	15.8
189.05423	8.0
191.07076	27.4
193.05040	24.3
194.05823	9.1
195.06657	8.9
205.05087	27.4
205.15948	14.8
233.15274	49.6
235.06010	16.4
235.16951	15.1
237.05444	7.8
281.08160	9.8
288.21490	8.6
313.57629	7.9
343.08383	14.8
369.09900	12.5
387.10593	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	387.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	16.0
56.25386	2.1
64.64906	2.1
65.03915	4.2
68.99776	25.4
69.17165	3.1
79.05470	7.1
91.05468	4.4
95.04933	3.2
96.83954	2.4
103.05472	4.1
107.04940	6.0
115.05415	5.1
117.06998	15.9
119.04950	14.4
123.04424	7.5
131.04948	3.4
135.04402	75.0
137.05948	5.0
137.89384	2.6
145.06438	25.3
147.04401	29.2
149.02325	100.0
149.03508	6.0
161.06018	7.3
165.05498	4.3
170.97305	2.9
173.05959	9.9
175.07539	13.9
177.05444	39.2
190.67020	2.5
191.03383	46.9
198.23030	2.8
203.06985	18.1
225.52615	2.9
246.39746	3.2
339.08478	16.9
342.67560	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	387.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31309	7.3
53.03912	7.5
55.01856	31.1
55.98122	6.7
65.03936	12.1
67.14474	9.0
75.15675	6.8
79.05488	29.0
81.07056	11.8
83.04980	8.5
85.02929	8.2
89.03913	7.6
91.05480	36.9
94.04153	7.8
95.04965	27.3
103.05461	10.3
105.03403	9.8
105.07017	9.7
106.04182	26.8
107.04941	29.2
109.06557	7.4
112.48805	7.0
115.05463	13.1
121.06498	23.7
122.03651	11.1
123.04432	9.3
131.04921	13.1
133.02872	25.0
133.06511	15.3
134.03687	7.8
135.04407	39.5
137.05981	100.0
137.41121	8.0
147.04402	26.5
149.05977	43.7
151.03885	16.3
153.05484	31.1
161.05984	17.4
162.03093	10.2
163.03909	21.5
165.05486	25.3
167.03381	11.0
167.07051	26.9
177.05507	45.1
179.06978	15.3
181.04924	20.0
193.05003	26.6
194.05797	22.6
195.06543	16.1
203.07069	16.8
205.04948	43.2
235.06059	18.7
343.08170	11.7
357.09824	12.4
395.08575	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	387.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96117	5.3
68.51453	5.7
69.03424	6.4
71.04987	5.0
73.84122	5.6
85.02899	8.7
88.10253	6.2
97.52334	6.2
99.04463	10.5
137.05971	13.2
145.39864	6.2
151.07556	9.4
188.90401	6.4
270.89487	7.0
276.36948	7.4
387.14093	100.0
408.00568	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	387.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39069	12.0
53.13598	11.3
55.01852	17.9
66.46777	12.9
81.07027	19.9
91.05470	23.0
93.25289	14.6
95.04932	21.4
103.05447	32.2
104.69922	14.0
105.07039	31.0
106.04163	48.3
107.04949	30.3
116.61086	13.5
121.06541	22.0
131.04955	41.7
132.05730	26.9
133.06503	42.0
134.46049	15.5
135.04492	13.7
137.05960	97.9
138.11331	14.0
141.35069	16.2
149.05971	100.0
161.05965	31.9
163.03905	17.0
167.07109	25.8
177.05487	64.6
179.07056	25.2
192.07765	21.2
207.06670	17.0
213.88345	15.2
273.59290	17.9
305.08176	23.7
337.10623	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	387.1437
Annotation	Magnolone
Peak:m/z	Relative Intensity
54.14585	0.6
56.47666	0.5
62.90466	0.5
66.04694	0.5
67.05508	0.7
79.05482	0.8
79.57600	0.5
81.07027	0.9
85.02869	0.7
91.05462	1.6
94.04186	3.4
107.04946	0.7
115.05450	1.8
117.06983	1.4
122.03638	7.4
137.05968	100.0
138.06311	0.6
143.04900	4.2
145.06464	2.2
147.08084	0.6
151.03912	2.1
167.07008	8.0
171.06538	1.0
173.05989	3.1
175.07574	0.9
181.04939	9.2
192.04826	0.6
203.07028	0.8
205.08627	1.4
235.09531	0.9
312.27975	0.6
357.13300	8.1
387.14325	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	387.1437
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
52.98552	1.4
54.56689	1.6
59.07543	1.4
65.03938	1.7
65.62852	1.4
67.05478	2.3
79.05460	2.8
91.05495	2.8
94.04223	4.0
103.05470	7.7
107.04998	2.3
115.05416	3.3
117.07033	2.8
122.03671	5.4
126.22659	1.6
131.04927	7.9
137.05974	100.0
138.53537	1.8
143.04881	4.1
145.06464	2.5
148.05168	4.9
151.03908	18.6
163.07558	6.1
167.07019	9.7
181.04942	14.4
191.07066	18.8
235.09633	3.4
268.79785	1.9
274.44769	1.7
344.47736	2.0
357.13321	7.2
387.14185	12.6
387.18591	17.8
404.80991	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1436
Annotation	(-)-5'-Demethylyatein
Peak:m/z	Relative Intensity
72.62140	3.4
78.04704	4.5
79.05499	9.6
81.07058	6.5
91.05487	11.0
94.04082	4.6
95.04967	8.7
99.70943	3.6
103.05463	21.5
103.94113	3.2
105.03426	6.7
105.07020	26.3
106.04152	33.9
107.04948	9.9
109.06524	8.1
115.05456	9.5
117.03384	7.5
118.04166	10.8
120.16879	3.6
121.06500	15.4
121.63137	3.6
122.03633	8.9
128.06238	4.2
131.04948	17.9
133.06477	48.7
134.03618	5.6
135.04408	10.7
137.05968	91.6
137.06944	7.4
145.06477	4.2
147.04343	5.5
149.05963	55.4
161.05952	30.0
163.03941	10.7
165.05478	10.9
167.07043	15.1
177.05457	100.0
179.07089	10.3
181.04962	12.2
188.04774	3.9
191.07071	5.1
192.07797	8.3
193.04846	5.0
193.08638	5.7
195.06604	7.1
207.06554	15.6
215.07115	8.4
234.21284	4.4
357.13171	5.4
387.14368	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	387.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97165	2.6
62.93208	2.2
63.44957	2.2
65.03931	2.5
66.96782	2.2
67.05483	2.2
68.95471	2.7
79.05488	2.6
85.02865	2.7
91.05459	3.8
94.04169	3.0
96.48797	2.3
103.05454	21.2
103.62914	2.6
105.07030	4.4
107.66180	2.7
115.05455	5.7
118.04153	3.9
122.03610	7.4
131.04881	17.1
132.05714	2.8
133.02821	3.1
133.06465	6.5
135.04440	3.7
137.05966	100.0
145.06488	4.9
148.05203	10.0
149.02397	3.8
151.03891	48.4
151.05049	3.3
163.07501	17.2
167.07021	8.8
181.04994	20.6
191.07024	59.2
209.08173	3.0
218.63112	2.6
328.15125	3.1
357.12958	6.1
387.14352	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	387.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
74.43086	1.8
91.71661	3.1
112.98863	2.0
124.53333	2.2
127.17599	1.8
137.09682	3.3
141.14516	2.2
165.09114	22.4
203.05200	2.6
207.13892	3.1
214.39035	2.2
225.10992	15.8
225.14688	13.2
249.04050	2.6
343.17123	3.7
387.10483	9.5
387.16232	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.201
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
52.81760	1.3
55.05497	6.7
65.83885	1.4
67.05489	2.5
73.13957	1.2
81.07039	1.5
81.20804	1.3
85.02931	1.8
95.08612	3.2
97.52109	1.3
109.10171	2.0
119.08543	4.0
123.08048	3.3
135.08035	4.0
137.06033	1.5
137.09563	11.5
151.07547	7.7
152.08368	1.8
153.09111	13.8
165.09102	100.0
207.13844	13.1
225.11160	2.6
225.14838	54.2
357.88531	1.8
387.16257	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	387.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78103	5.5
53.03931	6.4
61.02910	6.1
65.73734	6.7
69.03423	43.8
69.07044	8.4
70.06580	19.5
71.04990	12.2
73.02902	7.4
81.03399	8.7
85.02901	63.4
87.04452	8.5
91.05471	13.2
91.71021	7.8
93.07062	18.3
95.08610	71.7
97.02891	15.3
97.41961	7.1
105.07018	44.6
107.08550	9.0
109.10132	8.1
119.08578	46.1
121.10110	25.7
123.08086	10.0
127.03945	16.8
133.10138	25.4
135.11690	77.1
135.49132	7.4
137.09682	11.9
145.04929	12.5
147.08051	11.8
147.11688	41.0
149.09587	67.5
151.07533	8.7
159.08122	9.2
161.13251	100.0
167.11670	9.1
171.11589	10.6
174.10318	13.0
179.14383	12.9
189.12730	77.0
191.41664	8.2
197.68898	8.9
207.13753	56.2
387.17722	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	387.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35670	5.2
55.05486	6.8
67.05486	11.8
69.03419	41.9
69.07051	5.8
70.06590	15.2
71.04957	6.2
79.05473	6.9
81.03407	12.0
85.02888	76.6
91.05455	15.4
91.71716	7.0
93.07053	15.3
95.04974	8.5
95.08585	66.3
97.02906	26.9
105.06987	40.2
107.08585	12.0
109.02882	10.2
109.10162	19.4
119.08562	49.6
121.10156	23.3
123.08041	22.3
127.03911	14.9
133.10124	23.9
135.11694	69.5
137.09647	14.7
137.13261	10.0
147.11696	32.4
149.09578	69.9
151.07484	11.3
161.13239	100.0
171.11702	12.1
174.10420	11.0
179.14218	10.3
189.12708	98.9
189.14241	8.2
207.13815	86.2
387.17477	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	387.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	31.3
55.05515	45.9
58.43784	10.7
58.79680	14.8
67.05489	88.7
69.07056	34.9
71.08625	86.2
71.39186	12.0
79.05513	42.2
81.03434	16.2
81.07044	72.1
83.04988	21.0
83.08637	32.1
91.05505	39.8
93.07079	57.1
94.67971	11.6
95.04973	14.4
95.08631	60.6
96.93813	14.5
97.10252	14.6
99.08114	35.7
104.99434	12.5
105.07047	38.0
107.04999	50.3
107.08630	20.8
109.10168	26.6
111.08122	24.4
117.07001	12.2
121.10152	16.7
126.23415	12.4
128.16748	15.1
131.05000	17.1
133.06474	70.5
145.06517	69.9
147.08058	65.9
151.03972	33.9
157.06496	30.2
158.83812	14.2
159.08051	23.0
161.06038	40.1
161.09706	25.1
185.09645	22.8
211.96667	14.3
287.16486	17.4
351.23117	23.8
369.24237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2528
Annotation	Gerronemin A
Peak:m/z	Relative Intensity
55.01857	8.7
55.05505	11.0
67.05492	42.8
68.71188	4.6
69.07055	15.1
71.08617	35.8
78.79514	4.8
79.05476	18.8
81.03374	5.6
81.07043	45.7
83.04952	11.4
91.05472	18.4
93.07035	21.5
95.04954	9.8
95.08596	17.1
99.08086	14.9
103.05473	6.1
105.07025	12.0
107.04953	23.6
107.08577	13.6
109.06522	5.0
109.10137	9.9
114.97485	4.6
119.08588	8.9
121.06509	6.6
121.10146	11.4
131.08560	4.9
133.06468	31.1
134.59686	5.3
135.11742	6.5
145.06476	27.4
147.08005	24.9
149.06052	5.2
151.03897	6.3
151.11113	6.2
157.06477	15.9
159.08086	10.9
161.05975	6.5
170.52542	5.5
171.08052	11.6
183.08102	7.3
185.09636	6.1
197.09584	7.6
271.16891	100.0
280.33401	5.2
316.23944	5.9
351.23196	7.6
369.24188	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	387.2527
Annotation	12alpha-Hydroxy-3-oxochola-4,6-dienoate
Peak:m/z	Relative Intensity
50.73577	4.6
53.03931	11.0
55.01865	10.3
55.05499	9.1
67.05497	60.6
69.07067	36.8
69.71774	4.8
70.06605	4.8
71.04980	6.2
74.84795	4.5
79.05479	20.4
81.03409	43.1
81.07050	54.1
83.04986	12.9
85.06566	5.5
88.31843	5.0
91.05470	24.9
93.07038	19.4
95.04954	32.3
95.08591	28.4
105.07020	19.8
107.04957	24.4
107.08593	8.7
109.06512	7.5
109.10151	14.7
112.42834	6.0
117.07027	8.2
121.06484	9.2
121.10154	10.0
126.34636	6.3
131.02115	4.5
133.06479	39.8
133.10120	5.0
144.05690	7.3
145.06474	33.1
147.08057	22.0
149.06036	6.5
151.03896	6.0
151.11162	48.9
157.06508	28.5
159.08012	10.4
161.05980	14.8
171.08076	5.7
173.09607	6.3
185.09631	12.4
186.30858	6.0
199.11230	13.0
299.95062	7.1
333.22568	5.8
341.24875	6.8
351.23019	17.3
369.24216	100.0
387.25247	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	387.2714
Annotation	Arg Val Leu
Peak:m/z	Relative Intensity
60.05635	10.4
68.59978	1.1
70.04885	1.1
70.06583	100.0
71.04977	7.6
72.08146	15.6
72.93938	1.2
75.31770	1.3
85.71328	1.3
86.09695	7.4
87.73106	1.3
88.07621	4.0
98.06064	3.3
101.35942	1.4
112.08720	19.5
115.08683	4.1
115.68696	1.2
124.11208	1.6
140.08179	5.5
157.10843	5.3
169.13368	7.4
175.11909	2.7
196.14363	2.3
196.37901	1.5
197.12868	2.7
201.94223	1.4
203.10399	1.8
211.15511	14.5
214.15280	1.4
256.17490	1.9
257.16223	3.9
268.52219	1.4
274.18814	8.1
370.24332	3.9
387.27133	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	387.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	4.3
55.05504	60.2
57.03430	24.0
57.07064	5.1
67.05172	6.5
67.05498	86.2
69.07057	77.3
71.04977	7.2
74.14262	4.3
74.79839	4.0
79.05482	23.5
81.07049	100.0
83.04974	4.7
83.08615	59.0
91.05477	18.5
91.71063	8.8
93.07043	32.9
95.08601	94.6
97.06514	15.6
97.10160	34.8
99.08103	5.4
105.07023	12.8
107.08604	20.3
109.10163	31.8
111.08096	6.1
111.11739	11.5
117.05466	23.3
119.08569	11.7
121.10139	26.5
121.91961	4.7
123.08050	4.7
123.11720	9.8
125.09657	6.4
125.13200	4.1
126.68330	4.2
133.10127	17.2
135.11673	24.5
147.11644	9.3
150.48557	3.7
153.12798	7.0
161.13263	8.6
195.17693	5.0
217.19466	21.2
235.20506	22.0
238.01859	4.4
253.21527	10.1
309.24197	11.9
327.25159	54.1
358.08804	4.7
385.84393	5.4
387.27289	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	387.2867
Annotation	HU-211
Peak:m/z	Relative Intensity
55.60730	3.5
65.65562	3.7
67.85928	4.2
69.64410	3.8
74.12986	4.3
130.48233	4.3
137.05896	7.5
140.14055	5.3
229.98216	5.7
368.18793	5.6
387.28677	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20869	4.9
55.05513	17.6
62.97005	5.4
67.05497	76.5
67.05790	6.7
69.07083	20.0
71.04990	14.4
79.05516	19.0
79.64809	5.5
81.07045	100.0
83.08633	21.0
85.06553	12.8
90.80260	7.1
93.07063	21.6
95.08602	80.6
97.10146	12.1
107.08646	9.3
109.10147	36.3
109.33585	7.8
121.10180	25.3
123.11732	15.9
135.11694	15.3
137.13266	8.5
149.74127	7.3
176.89749	7.6
194.07433	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.7
53.03930	3.6
54.84766	0.7
55.01870	6.4
57.03422	4.2
61.02916	6.0
67.26466	0.8
68.99776	2.6
69.03419	35.3
71.04974	4.4
73.02906	5.4
73.12527	0.7
81.03409	23.8
85.02896	100.0
87.00820	27.1
97.02884	32.5
98.06010	1.5
98.06761	0.8
99.04446	11.5
105.01859	57.9
105.07019	10.9
108.04446	2.0
109.02870	26.7
114.16106	1.0
115.03977	1.0
117.01837	1.6
126.05492	1.6
127.03909	61.9
129.01845	4.4
145.04950	23.5
146.04471	2.3
147.02887	2.6
155.26282	1.0
159.02887	14.6
168.06552	1.8
169.25499	0.9
189.03813	1.7
211.52036	1.0
213.03906	1.8
231.04970	16.0
231.10155	1.1
248.07605	1.2
249.06017	5.6
335.11450	0.9
388.16055	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07052	24.2
57.74450	6.4
57.87137	7.0
58.60310	7.1
83.04930	8.4
85.06470	9.1
91.05470	13.9
101.78027	8.7
112.29792	9.6
117.06976	22.5
119.01923	11.4
142.03520	12.0
145.06493	25.1
163.42157	10.0
165.05142	16.5
181.13841	8.9
201.12708	12.3
229.12213	12.9
250.06731	9.8
347.13434	20.4
362.46143	10.3
365.14600	12.8
388.16046	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07053	14.1
59.13617	5.0
59.99911	4.4
60.65054	4.2
67.26041	4.4
68.72238	5.2
82.13841	5.4
90.80195	5.8
95.89235	6.3
102.20005	4.6
124.44694	5.5
131.08572	6.7
137.05884	6.6
145.06512	15.7
147.63951	5.9
147.92062	5.3
151.07579	13.6
187.07603	7.4
188.86057	6.5
229.12230	15.8
247.13226	10.3
328.13989	10.9
329.12335	36.1
330.74191	6.0
342.15674	12.1
347.13290	38.0
370.15009	100.0
371.15253	7.4
404.40262	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	388.1757
Annotation	Merenderine N-oxide
Peak:m/z	Relative Intensity
55.05495	1.5
68.62295	1.4
72.08155	3.6
88.03100	1.3
91.05465	2.4
117.02970	1.9
131.04936	2.5
132.05687	2.1
135.06783	2.6
136.07567	14.9
139.26140	1.8
149.06004	2.8
150.09145	6.2
150.47717	1.6
154.06252	5.0
163.68031	1.7
164.07051	95.6
167.06984	23.6
167.17554	1.5
171.68336	1.7
176.06984	2.6
177.05482	3.7
178.08577	10.4
182.09338	10.1
192.07794	12.8
206.08083	9.2
210.08846	7.0
249.14725	2.3
355.14172	6.8
373.15207	20.9
388.17490	100.0
389.17834	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16453	2.0
52.90985	1.9
53.76233	2.4
59.32521	2.5
72.23185	2.7
78.14211	2.4
79.05488	4.7
81.07032	3.6
83.04960	4.9
84.46013	2.4
89.06033	7.1
91.05448	9.1
93.07025	4.1
94.13919	2.3
95.04955	12.0
105.07027	7.2
107.08610	3.1
119.08580	4.7
121.06539	3.1
122.02742	4.0
129.06985	4.6
133.08612	6.2
135.08026	3.7
136.07568	13.0
147.08066	10.3
154.06224	6.5
161.09612	5.1
164.07051	100.0
167.07028	20.7
173.09621	3.8
182.09358	10.5
191.10616	13.0
200.22844	3.0
210.08907	7.5
212.64542	3.1
231.13809	8.7
234.94945	3.0
249.14937	3.6
262.97824	2.7
277.75516	3.0
313.11017	4.6
330.13696	18.3
370.16803	5.4
388.17407	50.0
389.17566	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	388.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79762	3.9
57.07071	24.2
58.06561	4.0
59.04949	4.7
60.04513	13.1
67.05494	7.1
69.07053	6.4
69.28058	3.8
81.07050	6.7
86.09689	15.1
91.05473	11.5
93.07049	7.3
93.26715	4.8
95.08611	5.8
96.95895	4.3
97.10163	5.7
105.07041	11.4
107.04988	5.8
107.08588	7.4
110.51588	4.5
117.07018	11.8
119.08566	9.7
129.06982	6.5
131.08575	6.8
133.06473	11.6
135.04454	13.9
143.08530	11.6
145.06483	22.0
149.05956	7.9
161.09625	11.1
163.07530	29.2
165.85825	5.0
173.13187	6.3
175.07590	5.9
175.11182	6.2
189.09326	5.0
191.07072	32.5
229.12305	13.6
237.07542	31.6
247.13191	10.0
257.11780	12.0
275.12674	11.6
275.58240	5.4
293.13824	55.8
353.15912	100.0
368.39072	5.4
408.09744	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	388.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37395	6.0
54.50106	5.3
58.93517	7.0
65.34290	6.1
66.04702	7.3
87.90166	7.2
89.93783	6.7
94.04179	9.2
96.88568	8.5
117.02052	7.4
137.05978	100.0
137.06944	9.7
144.54736	7.7
144.72717	8.6
180.04828	10.0
260.07645	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	388.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73754	0.8
55.05449	0.8
64.04612	0.8
73.00795	0.8
74.95484	0.8
77.92952	0.8
81.07012	1.8
91.05488	4.7
93.07036	6.9
95.04976	2.4
103.05457	1.6
109.10168	1.8
111.41842	0.9
121.06497	100.0
123.11694	3.3
132.06721	0.8
135.10768	1.1
135.11713	2.0
149.13257	2.3
153.05453	2.1
166.12256	40.4
177.91208	0.9
193.83269	0.9
194.66261	1.0
205.19513	1.6
221.84782	1.0
267.12860	0.9
325.25189	1.1
370.31140	4.9
381.67874	1.3
388.32089	31.0
392.24857	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97996	1.1
55.05490	4.5
55.77075	1.4
57.07056	1.8
69.03415	12.2
69.07042	3.7
83.08622	2.1
83.15263	1.4
87.03908	2.3
87.04452	43.7
94.06550	6.5
106.06544	100.0
107.07328	4.5
118.06520	2.2
120.08109	5.1
146.09633	3.5
155.06152	1.6
156.08099	5.5
162.09175	5.2
174.09119	15.2
192.10236	6.3
216.90945	1.7
229.95413	2.0
302.28409	11.5
310.74664	1.8
370.31097	6.3
388.32071	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	388.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84605	6.4
54.11567	5.4
55.05515	7.0
56.72306	5.3
65.76375	6.0
71.08628	5.9
75.83663	6.1
80.73779	6.9
80.78623	5.9
94.06566	28.3
106.06551	100.0
132.08075	27.6
144.75787	7.8
146.09621	17.3
178.30530	9.0
325.55994	8.3
388.35712	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0048
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91207	7.5
58.95536	7.3
64.26719	8.3
70.81593	7.4
77.45907	7.4
77.83829	7.7
78.28390	9.3
81.46334	10.0
104.68056	8.7
132.09532	10.2
162.99460	11.1
169.30142	10.0
177.00969	100.0
189.00951	10.2
191.75098	11.9
199.18439	11.2
200.02499	64.0
201.00932	18.8
203.93835	11.2
205.00433	45.0
211.41547	9.6
213.00966	18.1
219.02025	36.9
223.04189	21.5
228.02078	39.2
229.00563	16.0
231.01891	53.3
236.02579	39.0
242.03561	52.3
244.99974	18.3
247.01709	12.3
251.03696	13.9
254.03619	37.1
256.99869	13.9
263.00989	15.7
265.05200	19.9
268.01459	12.0
275.00995	10.8
280.01553	13.1
291.03113	12.5
299.00897	15.2
322.02594	21.1
328.38016	12.0
346.99393	27.4
351.99844	10.6
357.32025	12.6
370.01059	26.2
389.00494	29.9
393.02530	30.0
412.02304	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	389.1228
Annotation	Cimiracemate D
Peak:m/z	Relative Intensity
59.13166	13.5
65.41619	14.8
82.91647	13.7
83.37896	16.9
89.78604	15.5
91.05482	41.8
94.04171	15.7
96.54440	15.7
103.05492	32.8
105.03369	22.8
107.04932	18.8
117.03344	18.6
122.09628	16.6
131.04982	25.2
133.01982	15.3
133.02818	75.5
135.04463	29.9
137.05920	83.0
142.71814	15.8
146.03625	64.7
147.04401	52.5
149.05972	38.8
153.05443	39.9
163.03922	50.6
165.05487	100.0
177.05513	94.0
178.06230	87.9
179.07120	25.7
193.04916	76.4
195.06532	25.8
230.25536	17.6
243.39272	18.2
249.14760	16.0
371.10986	29.2
389.11960	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	389.123
Annotation	(8S,8'S)-(+)-8-Hydroxy-oxomatairesinol
Peak:m/z	Relative Intensity
54.24047	1.3
55.01867	4.2
60.63084	1.1
63.95717	1.2
65.03927	4.3
67.05492	4.0
71.01338	10.6
74.07114	1.4
79.05479	6.0
90.98425	1.6
91.05454	10.9
93.03354	1.6
95.04955	14.1
99.64317	1.6
103.05466	6.8
107.04386	1.2
107.04967	10.5
108.02077	1.5
111.04452	4.1
118.04159	4.4
119.04931	5.8
121.06506	4.6
123.04406	11.4
124.05246	1.7
125.05984	9.6
131.04922	2.8
133.02838	2.5
135.04390	14.2
137.05980	4.2
137.68680	1.4
141.05479	4.4
141.70387	1.5
145.06512	2.3
146.03610	4.5
147.04396	10.7
149.05983	6.6
150.06743	11.1
151.03897	100.0
151.04945	6.2
153.05453	11.3
161.05945	6.5
163.03946	5.8
164.04704	2.2
165.05478	4.5
166.06267	3.0
167.07014	3.9
167.41531	1.5
173.05893	1.5
177.05493	8.4
178.06248	47.7
193.04909	10.7
195.06543	9.4
196.07306	31.5
201.05461	3.0
219.06578	6.1
342.87173	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	389.1229
Annotation	2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone
Peak:m/z	Relative Intensity
55.01875	0.5
55.60678	0.6
70.91447	0.6
71.33890	0.7
76.92339	0.6
79.05502	0.9
81.03384	0.6
82.16896	0.7
85.02897	0.7
86.09674	0.8
91.05482	1.6
110.03648	6.5
113.74113	0.6
115.05412	0.9
117.06943	0.8
131.04926	4.5
138.03113	8.9
145.06502	0.6
150.36446	0.7
151.03839	0.8
153.05460	100.0
157.04944	1.9
159.04410	14.6
161.74612	0.7
167.03383	15.6
169.65344	0.7
190.61230	0.7
191.07034	2.5
207.06433	1.0
219.06505	3.7
221.08078	2.2
256.03793	0.7
359.11255	7.3
366.26236	0.8
389.12247	18.8
389.16907	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00094	3.8
52.80331	3.6
53.53448	4.2
55.05499	6.9
55.11539	4.2
56.01807	3.7
56.96553	28.2
57.43565	3.8
65.61207	4.4
69.06754	5.7
69.07058	33.4
84.96053	7.6
98.97572	100.0
110.97601	9.3
116.98610	43.3
128.98618	13.6
134.99707	19.0
140.00192	55.7
140.98689	6.2
146.99644	8.1
152.00246	11.0
152.70952	5.1
152.98648	5.6
154.01724	5.2
158.01213	25.3
158.99615	27.5
170.99718	6.1
177.00748	13.0
181.02898	15.7
182.01317	5.0
182.02922	5.2
193.02968	5.2
200.02312	41.7
212.02469	5.7
217.12010	5.3
217.65044	5.1
217.92813	5.1
218.99603	4.7
219.01758	12.5
237.02934	10.4
242.03455	10.7
260.04651	15.9
283.06104	10.4
307.18600	5.2
309.89987	5.3
347.13812	13.7
370.15457	40.9
389.14713	43.6
390.72623	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	389.1595
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
55.01659	3.6
55.01869	46.2
65.03929	12.6
67.05503	7.0
69.03438	3.9
74.35955	3.6
77.48704	3.1
79.05499	8.7
82.04180	4.4
82.37050	3.4
85.02887	6.4
91.05479	4.4
95.04945	9.4
103.05462	16.8
107.04942	8.9
110.03645	6.0
111.04482	6.1
121.06546	4.5
123.04478	4.3
128.06216	4.8
129.06999	11.3
131.04909	24.6
133.03986	4.1
137.05983	46.9
145.06462	5.1
149.05995	13.5
151.03938	5.7
157.06474	6.8
159.10954	4.3
163.07549	7.8
167.07034	22.7
171.06462	10.3
175.07524	13.0
177.05472	35.7
181.04947	100.0
189.09077	9.7
192.44400	4.4
209.08073	51.2
217.08406	4.1
249.09077	5.7
272.32578	4.3
277.08572	7.4
305.90564	4.6
321.16669	4.6
339.12277	8.4
371.15030	13.2
389.16040	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	389.178
Annotation	Asn Gln Gln
Peak:m/z	Relative Intensity
52.32646	1.3
52.65005	1.1
52.86827	1.2
70.22063	1.3
78.37569	1.3
82.96502	1.4
97.86907	1.2
114.51781	1.5
123.01085	1.6
136.51158	1.6
204.02756	1.6
227.12666	1.9
236.45490	1.8
246.84303	1.6
262.99496	1.7
319.86859	1.6
366.16748	1.7
379.03186	1.6
388.09686	1.8
389.17780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32646	1.3
52.65005	1.1
52.86827	1.2
70.22063	1.3
78.37569	1.3
82.96502	1.4
97.86907	1.2
114.51781	1.5
123.01085	1.6
136.51158	1.6
204.02756	1.6
227.12666	1.9
236.45490	1.8
246.84303	1.6
262.99496	1.7
319.86859	1.6
366.16748	1.7
379.03186	1.6
388.09686	1.8
389.17780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	4.4
60.04489	3.0
61.02907	3.3
69.03403	7.6
69.07050	6.0
70.06580	7.5
71.04969	6.9
72.08153	4.1
79.05460	4.0
81.03394	4.6
81.07029	8.4
84.04517	4.9
85.02898	26.5
86.09697	17.0
91.05469	7.0
91.71091	4.3
93.07030	11.1
95.08603	7.4
97.02859	7.8
97.06510	5.8
99.04452	5.8
105.07030	14.4
107.08609	12.5
109.10165	7.0
116.07124	4.2
117.07008	4.2
119.08564	7.6
119.75484	3.4
121.10151	17.2
131.08531	9.7
133.10120	100.0
135.08064	6.6
135.11652	9.4
149.09584	4.1
149.13239	6.8
151.11171	7.5
163.14868	11.9
173.13292	31.6
191.14307	32.8
209.15392	14.3
227.16528	6.5
321.61594	4.6
350.91736	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.6
61.02934	2.1
67.05506	2.1
68.67761	1.2
69.03429	4.9
69.07078	3.3
70.06585	1.4
71.04993	2.1
81.03415	1.4
81.07061	2.8
83.04994	1.6
85.02899	12.6
85.03294	1.2
85.53968	1.0
86.09697	2.4
91.05511	4.0
93.07039	6.4
94.99587	1.1
95.08614	5.5
97.02917	4.0
97.06544	2.9
99.04492	1.7
105.07030	11.5
107.08587	12.4
107.09171	1.2
109.02910	1.2
109.06505	1.6
109.10204	4.5
119.08617	3.5
121.10139	9.3
123.08088	1.7
123.11700	1.9
127.03964	2.4
131.08560	7.2
133.10123	100.0
135.08115	2.1
135.11714	4.1
145.10162	2.8
147.11723	1.9
149.13306	4.6
151.11229	4.6
163.14792	12.6
173.13237	20.4
183.55046	1.5
191.14293	22.2
209.15341	11.0
227.16508	4.2
237.96687	1.2
246.76630	1.3
249.41310	1.4
302.71008	1.4
332.17984	1.7
364.84869	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	389.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68195	1.4
57.03390	1.9
58.51413	1.9
60.04506	2.2
67.02264	1.8
67.05494	2.1
69.33823	1.9
71.37149	1.7
78.02782	2.2
79.05465	2.6
81.07031	2.7
81.70528	1.7
92.21897	2.2
95.08574	3.0
104.84449	1.6
107.89642	1.9
109.30460	1.9
110.69370	2.2
147.04378	4.1
203.30020	2.3
254.33873	2.3
308.11667	2.9
332.86899	2.3
389.22955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2684
Annotation	7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
Peak:m/z	Relative Intensity
50.14484	6.4
55.05495	22.3
55.24952	7.6
57.03414	7.4
57.07072	100.0
57.42420	7.6
58.75315	5.9
60.51195	7.0
67.05495	52.3
69.07056	31.6
71.08621	85.9
79.05494	17.5
81.07045	77.5
83.08598	9.5
91.05500	10.8
93.07034	16.3
95.05013	8.3
95.08604	31.7
105.07019	18.1
107.04958	35.2
123.11671	8.9
133.06514	50.0
135.04453	10.5
141.12732	31.8
145.06494	40.3
147.08069	56.9
151.03897	18.4
157.06531	31.1
161.05949	19.3
161.09578	11.7
171.08031	9.4
185.09647	11.1
197.09625	13.7
199.11121	9.5
213.12901	12.3
231.13802	38.5
249.49948	9.3
263.59888	9.7
281.13950	12.4
342.42496	10.4
353.24738	21.0
371.25775	89.9
389.26443	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	389.2683
Annotation	Plakortolide I
Peak:m/z	Relative Intensity
55.05496	5.7
57.06801	3.1
57.07068	53.4
67.05495	20.9
69.07051	6.0
79.05481	4.6
81.07055	18.7
85.06541	30.1
89.35728	3.1
91.05494	19.3
93.07037	11.0
95.04960	3.2
95.08601	14.4
101.11989	3.7
105.07026	6.3
107.04958	12.7
107.08592	6.2
109.10133	6.6
113.09662	4.6
119.04938	30.4
119.08569	5.1
121.67050	3.4
133.06477	29.2
135.04382	3.5
145.06520	17.0
147.04399	100.0
147.08037	30.9
151.03876	7.2
157.06503	9.2
159.08029	7.0
161.05986	4.4
161.09567	5.1
165.05449	42.2
173.09641	8.0
185.09631	6.5
187.11098	4.2
211.85281	3.6
212.12117	3.7
224.78748	4.2
253.15845	6.0
297.06152	3.8
353.24649	11.7
371.25766	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2686
Annotation	7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
Peak:m/z	Relative Intensity
53.00295	8.4
54.12698	5.6
55.05496	33.8
57.07066	18.4
57.93932	7.5
59.36312	7.0
60.98479	7.1
67.05493	67.8
69.07061	43.4
71.04977	12.8
72.22497	7.1
79.05473	17.0
81.07045	59.3
83.08601	14.5
85.10170	22.4
91.05450	16.7
93.07044	27.3
93.11720	8.1
95.04958	10.4
95.08603	51.5
97.06531	14.0
97.10181	9.4
99.13206	7.5
105.07023	19.5
107.04945	41.2
107.08588	17.3
109.10165	20.3
113.09657	11.5
119.08575	18.5
121.06527	12.9
121.10146	9.0
129.07040	8.5
132.54956	7.3
133.06487	91.1
135.11699	12.1
136.11279	7.6
139.11252	9.1
145.06482	57.1
147.04298	11.8
147.08067	57.5
151.03941	24.9
151.31090	8.9
157.06509	34.1
157.95160	8.3
159.08022	29.4
161.06010	17.1
161.09564	11.4
170.72682	8.5
171.08105	13.3
173.09543	15.6
183.08032	9.9
185.09644	13.7
199.11258	13.6
201.12654	16.4
201.89964	9.0
232.81528	8.3
239.77496	8.7
255.05943	9.5
343.26364	19.1
353.24719	30.4
371.25748	100.0
388.36560	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	389.2684
Annotation	7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
Peak:m/z	Relative Intensity
51.74920	4.3
54.23118	4.6
55.01867	43.3
55.05498	7.2
57.03413	10.6
57.07068	34.1
67.05489	36.8
69.07043	20.8
71.08636	6.7
79.05472	10.4
80.00523	5.1
81.07041	26.9
85.06525	23.3
87.08157	5.7
91.05447	12.6
92.38107	5.9
95.08571	36.3
97.06528	61.5
99.08076	5.8
105.07025	8.8
107.04965	31.6
109.10148	14.7
119.08597	6.8
121.06487	7.5
133.06473	55.6
135.04442	10.6
145.06485	32.9
147.04468	11.5
147.08058	28.3
149.05931	7.9
153.91145	6.3
157.06496	14.0
158.52579	6.4
159.08070	18.5
161.06030	12.1
161.09622	7.5
171.07971	6.3
175.52060	5.9
185.09581	7.6
191.07207	6.4
207.54448	5.8
223.01559	7.0
287.19992	13.3
353.24622	13.3
371.25772	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2686
Annotation	7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
Peak:m/z	Relative Intensity
55.05492	28.2
62.53358	6.7
67.05491	79.9
69.07049	21.6
71.04980	8.8
79.05486	17.2
81.07056	100.0
83.08607	9.1
85.06548	9.9
91.05460	15.5
93.07037	31.9
95.08603	62.0
99.08089	10.5
99.36394	8.4
105.07006	10.5
106.71462	7.3
107.04924	24.7
107.08553	12.2
109.10167	20.8
119.08605	10.1
121.06534	9.1
121.10144	14.3
123.11693	7.6
128.06253	8.1
131.08591	12.7
133.06474	38.2
145.06505	20.7
147.08060	30.3
148.89262	6.9
149.06050	10.1
149.13226	7.8
151.03926	53.3
161.09561	14.1
175.14604	8.4
179.60617	8.6
188.18379	8.9
209.06703	7.9
221.99939	9.4
227.53278	8.2
245.46585	7.9
353.24783	24.2
371.25784	28.6
389.30295	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08169	6.1
67.04237	46.6
68.05024	5.1
72.57503	2.2
73.17406	2.6
80.54698	2.3
94.02950	2.7
95.06057	16.7
98.00726	3.3
121.01107	7.3
123.04426	3.8
125.01683	54.7
126.01690	3.2
126.02491	16.8
127.03271	13.1
133.02901	3.3
134.03703	4.1
135.04407	3.1
139.05086	5.2
141.81114	3.0
149.00591	3.6
151.04051	2.8
160.00084	2.6
165.00131	6.4
165.89301	2.5
167.08180	2.9
192.99515	7.3
213.04834	7.5
241.04372	3.6
259.05334	40.4
287.04810	100.0
303.04321	4.5
346.12192	90.6
346.16278	5.4
389.18030	7.5
390.11041	25.8
390.18161	6.8
407.01297	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	390.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05005	2.3
60.08144	6.9
61.36141	2.4
64.55751	1.9
67.04243	49.5
67.18781	2.0
68.05013	7.8
93.04501	4.0
95.06080	15.0
95.06615	2.2
98.00646	4.5
121.01101	4.7
123.04390	5.3
125.00860	4.6
125.01700	61.2
126.02470	9.4
127.03254	18.7
139.04984	6.0
142.92874	2.6
149.00525	6.3
161.02351	3.2
192.99538	9.6
213.04727	6.3
216.03192	2.7
244.03111	3.1
255.34505	2.7
259.05344	46.1
287.04810	100.0
292.21072	2.9
321.19797	3.3
336.71631	2.9
346.12180	83.0
389.17978	6.7
390.11197	26.6
390.18091	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	390.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55894	1.5
55.01850	2.2
68.99786	2.3
69.06631	1.8
76.04630	2.2
79.05455	2.5
81.07061	3.0
107.04953	5.3
109.02895	2.5
121.06515	4.2
131.04898	2.3
135.04416	2.2
139.03897	48.2
147.04393	2.7
149.05952	11.0
150.09161	10.1
151.03949	4.6
161.05983	3.4
163.03874	11.9
175.03928	6.7
175.07535	4.4
177.05453	100.0
179.03429	2.7
189.05464	3.9
201.05389	3.2
205.04938	52.4
214.08040	2.7
217.04997	6.5
222.07596	48.7
222.11237	8.8
233.33429	2.1
234.07535	4.1
236.50084	2.1
327.08624	8.9
355.07986	3.9
372.10660	3.6
387.69736	2.1
390.15591	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	390.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21889	15.0
56.96551	43.3
67.78845	16.9
98.97591	74.2
100.02727	18.2
109.59019	18.8
116.98621	83.0
128.25987	17.8
134.99670	35.5
138.35443	19.1
140.00206	72.5
158.01276	83.3
177.64427	20.8
181.02826	100.0
205.28487	19.0
274.10300	18.6
276.07785	19.8
319.46371	21.4
349.13190	34.6
360.14618	24.5
367.14471	28.2
390.15759	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	390.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76622	3.0
52.84590	3.0
55.01845	5.4
56.85608	3.5
57.03424	5.5
59.20934	4.4
61.02923	4.2
67.05482	10.0
69.03410	12.3
70.06593	5.9
79.05490	9.6
81.03425	9.7
81.07034	14.2
85.02901	66.8
91.03914	5.7
91.05462	32.5
93.07028	22.5
95.08583	4.5
97.02885	18.7
105.07014	35.8
109.10197	5.6
112.17911	3.9
113.40275	4.6
119.08566	54.5
127.03886	9.1
129.07043	5.4
132.07123	4.4
137.09595	12.4
139.03926	13.9
145.04953	17.7
147.08041	19.1
165.09094	95.1
167.05978	5.6
177.05490	4.4
180.08705	6.6
181.63789	5.3
193.08606	100.0
193.10271	7.9
211.09639	93.1
211.11482	7.5
228.12358	12.7
230.83562	5.0
252.12291	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	390.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71228	1.7
69.03417	1.6
85.02893	7.0
90.04742	1.8
91.05447	4.4
97.02887	1.7
103.05476	4.1
105.07010	10.2
118.04129	11.8
119.04980	2.4
125.05991	1.7
129.46213	1.7
132.41782	1.8
133.06483	100.0
134.06802	2.4
137.06012	1.9
139.56633	1.6
147.86563	1.7
149.05984	5.3
151.07539	2.9
161.05954	47.1
162.06734	2.8
165.09055	2.8
167.07034	5.5
177.05486	5.3
179.07101	2.9
181.08740	2.1
193.08591	53.6
205.05006	2.3
211.09668	19.5
222.07477	2.7
379.73163	2.4
390.17783	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	390.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.4
57.03404	2.7
67.05501	4.3
68.96995	3.0
69.03446	4.3
69.70604	2.7
79.05496	7.0
85.02894	17.7
89.09809	3.1
91.05461	25.0
91.71669	5.0
93.07049	12.1
95.04978	4.6
97.02911	5.9
105.07047	19.6
107.08582	7.3
119.08585	24.2
129.07082	5.5
133.06627	3.6
135.96341	3.8
137.06021	6.2
147.08052	25.7
149.06874	3.2
149.09604	19.6
163.07498	4.5
165.09134	5.1
175.07599	11.3
193.08569	16.7
211.09633	100.0
228.12369	4.6
252.12352	10.8
372.10437	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	390.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	8.9
67.80014	2.6
69.03417	10.2
74.25763	2.6
80.37917	2.5
80.47115	2.8
82.66998	2.3
85.02887	10.2
85.37357	2.9
91.05468	58.8
93.03304	2.8
93.07033	10.9
95.04968	17.7
95.08607	9.5
96.78364	2.9
97.02874	55.5
97.06516	18.2
99.04461	7.6
105.06984	5.1
109.10141	34.1
119.08574	77.8
121.10133	7.2
137.09589	11.3
147.08060	31.8
165.09116	46.1
175.07542	13.1
181.18663	3.0
193.08604	27.7
199.91649	2.8
211.09627	100.0
228.12323	5.3
232.38130	3.2
246.34579	3.3
407.81094	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	390.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
61.99606	7.2
62.20676	9.6
64.29597	8.5
64.92919	9.6
67.05505	16.7
69.03419	26.1
81.03402	17.1
81.07034	14.6
85.02901	14.2
91.05458	84.6
91.71066	14.5
93.07033	11.8
95.04980	18.8
95.08604	15.5
96.50340	10.7
97.02863	74.4
97.06532	15.9
101.30242	9.1
109.10152	56.4
113.19654	10.0
119.08575	100.0
130.41196	10.7
137.09645	13.8
144.13472	12.4
147.08044	55.0
153.05499	22.6
154.05763	18.0
165.09062	80.3
175.07500	15.3
193.08600	18.9
207.16173	10.4
211.09648	98.1
229.50552	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	390.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87811	3.0
52.33852	3.7
56.05012	5.5
60.04517	4.6
69.03420	8.6
70.06578	19.6
72.08145	18.1
84.04508	26.4
84.08143	15.3
85.02896	29.7
86.09698	34.9
87.10045	5.7
90.95107	4.2
95.63925	3.7
96.93336	3.8
97.02906	10.2
102.05536	7.6
105.07005	4.8
107.04953	100.0
120.08130	7.0
127.03958	6.6
133.06488	73.5
137.06000	12.9
139.03891	7.0
139.56419	4.9
145.04968	5.1
147.08051	28.9
150.77667	3.9
165.05371	5.0
175.07544	67.3
176.74692	4.7
177.05487	7.6
187.07272	5.2
193.08549	39.3
200.07449	4.6
203.27232	4.0
211.09669	19.4
222.07562	25.0
230.07901	4.7
243.75430	5.5
390.11856	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	390.1873
Annotation	Glu-Glu-Ile
Peak:m/z	Relative Intensity
53.23930	2.1
56.05027	7.2
56.96548	6.7
63.93124	1.9
70.06577	12.2
70.06887	1.9
72.08141	8.9
74.06078	2.5
84.04498	100.0
84.08121	5.7
85.02900	5.7
85.24269	2.2
86.09697	64.5
88.86813	2.1
91.05492	2.3
102.05540	39.4
120.08099	2.2
122.06011	2.7
129.06569	6.4
132.10199	57.2
139.03941	2.3
141.59825	2.4
167.08163	8.9
167.94359	2.5
177.05447	2.6
195.07639	7.0
197.12915	4.1
213.08728	8.5
222.07594	4.2
228.30560	2.6
231.09796	5.2
241.08250	8.9
243.13469	3.9
259.09259	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	390.195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	100.0
57.07064	12.6
67.05491	16.5
70.86964	10.3
71.91093	11.3
75.44839	11.8
76.37329	11.0
79.25900	12.5
81.07063	16.1
91.05476	14.6
95.08537	11.3
107.17638	12.2
109.10133	11.5
112.27764	12.5
112.49397	11.4
126.79306	12.2
134.02107	14.2
134.74623	11.7
166.89310	12.4
193.02843	15.7
210.10580	13.3
269.10364	16.5
278.10663	18.2
285.09982	15.0
290.10391	24.4
292.12140	85.4
308.11716	30.2
310.13229	16.5
319.13437	21.7
327.49158	13.1
333.14685	18.8
334.28564	13.1
372.18286	24.0
390.19528	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	390.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91696	4.1
56.19565	4.5
56.96552	25.8
57.07066	5.8
58.17306	4.2
63.01138	4.9
72.51184	5.4
80.42577	5.0
81.07058	6.4
95.08604	6.1
97.79010	4.9
132.10237	6.3
144.76007	5.7
224.53453	5.5
292.12256	7.4
321.12527	9.4
331.15579	8.1
349.16763	17.7
362.15027	12.2
367.17798	17.5
372.18451	14.6
390.19452	100.0
390.35654	25.4
391.19275	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	390.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.4
57.03424	2.2
57.06847	2.0
57.07071	21.4
60.85453	1.5
62.06079	29.7
62.21850	1.6
67.05499	9.6
69.07047	4.8
71.01993	1.8
71.64505	1.8
79.05475	5.8
81.07037	11.5
83.08583	1.9
85.78635	1.8
91.05466	3.9
91.71543	2.0
93.07024	5.6
95.04972	3.0
95.08601	6.5
102.58345	1.7
105.07072	2.2
107.08582	5.9
109.10154	3.9
123.04436	3.0
134.34090	2.4
135.11684	2.4
161.06015	6.6
163.07533	23.7
165.96852	2.1
171.08112	2.6
176.08305	4.5
199.11264	3.0
203.10678	4.2
213.09227	2.3
227.10579	9.5
255.10062	15.1
269.11957	2.1
273.11172	2.7
283.16812	3.4
323.10889	2.8
329.17432	100.0
331.71533	2.0
390.22769	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59520	3.4
55.05499	12.1
56.05038	20.2
58.99568	17.6
60.04518	76.8
67.05499	64.7
69.07059	17.9
70.06577	8.0
76.02222	17.0
79.05486	18.4
81.07057	69.3
81.07523	5.2
83.08622	8.5
85.01099	4.6
86.00629	12.5
86.99061	6.8
87.02690	15.2
88.02217	13.5
88.03967	5.3
91.05486	15.4
93.07034	24.3
95.08602	68.2
97.01099	12.1
99.42740	3.6
101.04255	5.6
105.07012	13.5
107.08604	18.4
107.91878	3.6
109.10149	30.6
113.04218	13.8
119.08573	9.5
121.10151	17.0
122.02756	9.0
123.11720	8.4
126.05566	3.8
127.05737	4.8
131.08598	5.4
132.01147	6.1
133.10161	13.3
135.11671	11.6
138.09166	6.0
148.72418	4.6
153.14499	4.8
161.53215	3.9
164.83047	3.9
214.15884	7.5
215.17912	5.8
250.21643	6.4
251.20084	18.6
265.16296	4.9
268.22769	5.3
277.21469	6.6
283.17273	4.7
291.17560	5.0
308.20187	7.0
326.21503	13.1
354.21045	17.3
354.26004	4.9
372.21997	100.0
372.25955	6.0
390.22299	24.9
390.27512	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	13.9
55.58532	4.5
56.05021	18.5
58.99567	15.4
60.04514	100.0
65.03904	4.9
67.05495	72.4
67.39509	4.5
68.05003	4.0
69.07054	20.8
70.06586	4.7
74.00616	4.9
75.00858	3.7
76.02212	13.8
76.43722	4.1
79.05485	20.2
81.03391	8.4
81.07043	68.4
83.08618	8.1
86.00632	8.4
87.02686	13.4
88.02203	18.2
88.03982	6.8
91.05465	18.0
93.07037	26.8
95.08591	70.2
97.01109	8.7
97.10175	8.1
98.43178	4.5
105.07019	13.8
107.08586	19.2
109.10168	28.0
109.89011	4.3
111.08022	5.4
113.04250	12.1
119.08591	6.2
121.06429	4.5
121.10138	18.3
122.02728	7.7
123.11716	8.4
131.08553	8.2
132.01131	9.6
133.10156	14.1
135.11646	11.2
137.09550	6.4
138.09201	6.8
145.10149	6.7
147.11591	5.6
149.02361	4.8
151.11264	4.7
160.04234	7.5
251.20100	12.5
277.21622	4.9
294.24298	6.2
295.22501	6.7
326.21548	17.4
354.20947	15.9
372.21960	82.7
372.26196	8.3
390.22684	28.3
390.27426	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	390.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75066	0.9
58.32280	0.9
67.05490	6.5
69.07056	1.1
79.99055	1.0
81.07052	4.1
83.08652	1.1
91.05460	9.2
91.71042	2.8
95.08588	8.4
96.76543	1.2
109.10145	5.6
119.04938	24.7
121.10149	1.8
122.81371	1.4
123.06809	1.1
123.10290	1.1
126.13463	1.0
135.11682	1.4
136.07652	1.2
147.04404	100.0
165.05464	39.0
207.15097	1.1
215.87212	1.2
352.09909	1.6
390.33716	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	390.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23845	30.4
91.71073	68.4
98.86832	31.8
117.82569	29.0
146.76506	29.8
157.39133	30.4
390.27618	100.0
406.14862	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23845	30.4
91.71073	68.4
98.86832	31.8
117.82569	29.0
146.76506	29.8
157.39133	30.4
390.27618	100.0
406.14862	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	3.0
53.66239	2.4
55.01854	3.2
55.05487	11.4
57.07056	5.8
61.76900	2.8
63.92192	2.5
64.24626	2.5
65.03912	4.3
67.05494	18.4
67.14869	2.4
69.07053	21.4
70.06190	3.3
70.06583	56.2
71.08611	4.0
73.96470	2.7
74.35371	3.0
79.05475	3.9
81.07044	13.4
83.04972	5.5
83.08595	9.5
91.75037	3.0
93.07037	10.8
95.04962	19.1
95.08600	12.0
96.82871	3.1
98.98450	6.1
107.08608	4.6
109.06502	9.2
111.08070	4.3
112.07597	4.3
119.04916	3.1
121.10183	3.9
123.11736	3.7
127.26475	2.8
138.05502	13.4
154.08632	28.4
155.01022	9.9
158.98462	2.7
167.54102	2.8
179.07048	3.4
179.94218	3.3
206.45480	4.2
214.80595	3.4
249.74065	3.3
373.27386	14.6
390.29965	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09879	1.6
52.96040	2.1
57.07054	6.3
58.06575	3.8
64.30835	1.8
70.06579	26.4
70.18436	1.8
71.08601	2.9
72.08130	3.4
74.41541	1.9
74.65051	1.9
82.33435	1.9
84.08117	3.1
86.09703	3.5
88.07601	8.1
102.09179	4.0
122.37582	2.2
132.10187	10.2
136.78873	2.4
146.11723	12.4
149.02353	3.8
236.26588	2.3
254.33885	2.6
254.39542	2.4
284.29434	12.6
300.87674	2.7
328.32150	40.0
390.35733	100.0
396.94467	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28878	3.1
56.65784	2.8
57.07064	6.8
81.90469	3.2
95.90714	3.2
110.19896	3.4
122.75876	4.1
149.02342	22.1
153.15634	3.6
238.07552	3.6
361.06689	16.4
391.07855	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75240	4.7
56.05016	5.2
56.96558	100.0
57.07066	4.0
69.92014	4.1
71.08619	6.1
72.08150	4.9
74.06079	8.0
82.31593	3.9
84.04499	29.9
84.08142	9.5
84.96023	11.5
85.86999	3.9
86.09687	13.2
87.10043	5.4
91.95371	4.9
97.99207	9.1
98.97584	26.4
102.05545	13.9
116.98601	24.9
119.61553	4.3
129.02246	5.6
132.10237	13.0
134.99652	17.2
137.06026	6.5
139.03856	9.7
140.00179	27.2
143.03851	7.3
147.03296	11.4
149.02335	55.6
158.01245	19.4
161.04895	18.9
163.02742	7.9
165.04396	5.5
167.03499	6.2
168.03391	5.4
168.41251	4.2
170.04887	11.2
177.05576	5.6
179.05922	5.2
181.02888	15.9
184.06393	25.3
186.04381	7.4
189.04218	11.5
191.02283	13.5
194.04924	10.8
202.07353	4.6
207.05501	6.0
209.03345	10.6
212.06006	11.1
214.03931	15.1
228.05533	6.2
232.04964	11.9
233.03372	13.4
235.07555	8.9
237.05591	12.7
251.04434	8.3
251.06992	7.2
251.68922	5.1
254.07018	14.6
255.06409	6.1
256.04898	28.4
274.05753	8.9
275.04440	8.5
297.07654	15.6
310.09467	6.9
316.07147	11.7
331.07458	6.1
352.10355	6.5
370.11874	15.1
373.08646	7.0
391.08875	7.1
408.35788	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	391.1386
Annotation	Guaiacylglycerol-beta-ferulic acid ether
Peak:m/z	Relative Intensity
53.26520	7.9
55.01860	41.3
57.07060	12.6
57.67142	8.2
65.03908	12.9
67.05501	24.0
67.07502	9.5
69.58096	8.6
71.08626	14.5
72.72074	8.5
73.55943	8.8
79.05495	70.1
81.03392	10.5
81.07053	19.7
83.04986	19.1
84.08123	25.3
85.02895	11.3
91.05475	74.8
91.45094	8.6
93.07051	12.6
95.04953	100.0
97.06515	23.6
103.05466	28.7
105.03335	9.8
105.07033	14.6
106.04115	24.8
107.04960	70.0
111.04432	12.9
111.08075	33.0
117.59886	9.2
118.04179	20.1
119.04958	45.7
120.75838	10.3
121.06507	57.1
123.04408	15.1
123.57300	9.8
125.06003	50.6
131.04970	22.4
132.05759	14.1
133.06532	16.2
134.03593	15.4
135.04401	71.3
137.06000	23.3
139.07533	84.9
146.03641	53.8
147.04384	25.6
149.02293	71.9
149.05988	59.9
151.03911	10.6
151.07576	21.3
153.05466	47.0
161.05966	15.3
163.03889	61.0
165.05492	44.9
167.07013	98.7
177.05473	79.5
178.06223	67.6
179.07018	36.3
181.04909	14.1
193.04904	19.7
195.06575	26.5
197.08018	11.3
229.54388	10.6
373.13077	13.8
373.72943	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	391.139
Annotation	Prinsepiol
Peak:m/z	Relative Intensity
55.01860	12.6
55.37382	5.8
56.41546	6.2
56.69306	5.7
56.86891	6.7
57.07058	11.8
61.54290	6.1
65.03915	9.8
71.08611	11.7
79.05452	36.4
81.07050	13.6
83.05029	8.4
84.73650	7.7
85.02915	11.0
91.05466	25.1
95.04961	60.3
97.06513	12.6
103.05482	13.2
103.18379	8.5
103.68337	6.8
106.04157	13.3
107.04946	35.1
109.06486	17.6
111.04362	10.6
111.08080	14.7
118.04142	10.0
119.04939	29.1
121.06505	33.4
125.06001	22.4
129.98761	6.7
131.12401	7.4
133.06464	11.1
135.04399	34.1
137.06006	14.7
137.17303	9.5
139.07582	44.9
144.06735	7.6
146.03638	35.2
147.04471	14.9
149.02339	100.0
149.05983	32.6
153.05463	28.6
163.03917	36.3
165.05486	22.3
167.03360	9.9
167.07031	50.4
172.48401	7.6
177.05440	48.0
178.06236	35.9
179.07010	18.0
193.04904	20.4
195.06560	21.9
258.99200	8.5
292.21573	7.5
314.43881	9.5
402.24353	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	391.1385
Annotation	Jamesoniellide L
Peak:m/z	Relative Intensity
54.94260	7.5
55.01864	15.4
55.05495	10.8
55.90799	8.7
57.07070	75.4
62.80362	7.0
67.05491	8.9
69.03416	23.3
69.07068	13.2
69.30091	7.9
82.50968	9.1
83.01337	55.1
83.04984	14.4
91.05466	45.2
91.71082	12.2
93.07047	24.9
95.04955	16.5
95.08599	14.7
97.06524	16.1
98.76289	10.9
105.07036	48.1
107.08599	21.6
111.08076	15.3
117.07027	21.4
119.04935	20.3
119.08581	25.9
128.06239	10.3
129.07037	34.8
131.04897	22.8
131.08556	25.1
133.06474	22.2
133.10162	16.4
135.42528	10.5
137.05925	15.2
141.07014	22.7
142.07797	16.8
143.08588	30.1
145.06491	18.8
145.10129	37.1
147.11783	11.1
149.02324	56.8
149.05980	20.1
151.33784	9.8
154.07761	13.1
155.08624	17.1
157.06572	13.4
157.10146	41.2
159.04407	17.8
159.08070	27.5
159.11687	34.2
161.05969	23.4
163.03874	19.9
167.08478	14.1
169.06612	14.8
169.10172	28.6
171.08022	29.4
173.06032	25.0
173.09627	42.9
175.11133	19.9
177.05571	19.8
179.08539	14.0
181.10141	23.1
183.08049	18.3
183.11629	14.0
185.09673	37.2
187.03885	13.2
187.07562	14.8
187.11244	39.0
189.09090	13.2
189.12727	14.0
193.10133	14.5
197.09605	37.2
197.13327	10.2
199.07503	20.3
199.11215	28.8
201.09116	38.9
201.12776	11.7
203.06938	16.0
203.10599	17.2
205.04985	41.7
207.11737	15.5
209.09642	18.1
209.13235	17.4
210.10406	11.6
211.11157	16.0
215.07011	19.3
215.14352	14.2
217.08669	18.3
219.10063	11.6
225.05470	11.2
225.09042	31.0
225.12697	22.0
227.10661	18.3
229.08679	16.9
235.11325	19.3
237.12859	22.1
243.06371	16.3
243.13750	15.0
247.09541	16.8
249.07466	12.4
253.12231	40.6
255.13811	27.6
265.12152	15.0
271.13229	43.5
273.11139	17.8
281.11740	44.1
283.13278	22.2
299.12756	49.5
301.10855	14.0
301.14371	27.5
309.11105	18.8
317.13809	23.7
327.12216	44.5
329.13815	25.1
345.13196	100.0
347.14926	15.2
355.11984	13.5
363.14459	23.1
373.12772	70.6
391.13687	85.5
409.15005	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	391.1379
Annotation	Prinsepiol
Peak:m/z	Relative Intensity
57.07064	16.1
61.02922	11.5
67.34332	8.6
71.08634	12.0
76.26777	10.2
95.35857	10.9
96.70462	11.1
107.04959	30.5
112.30078	12.7
123.95071	12.2
126.10842	10.7
137.05981	95.1
140.14534	11.2
149.02380	100.0
149.05910	13.6
153.05461	27.5
194.07233	12.9
213.09175	12.4
221.06105	10.1
236.36212	13.3
253.08525	18.9
259.05991	19.7
273.11447	12.9
285.11230	13.9
302.07846	34.4
341.10147	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	391.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54708	2.2
50.81708	3.2
51.73983	2.4
52.72620	2.3
57.07057	5.2
64.04483	2.7
71.08626	5.4
114.39487	2.7
131.04907	6.1
133.66565	3.1
137.05991	6.5
149.02359	32.4
192.42509	3.1
210.01697	3.1
215.64481	3.0
249.18837	2.9
250.52226	3.1
251.66791	3.9
391.15692	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1572
Annotation	Chidamide
Peak:m/z	Relative Intensity
50.52299	1.5
51.36448	1.5
55.33239	1.7
59.20433	1.4
61.87850	1.5
69.64169	1.8
70.51349	1.5
71.08600	3.0
80.00117	1.5
149.02319	15.4
251.04573	2.3
297.19806	2.3
391.15662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1598
Annotation	Reptoside
Peak:m/z	Relative Intensity
53.39799	5.4
57.07065	11.2
69.03413	24.0
69.82439	5.3
71.08617	10.0
76.97654	6.0
79.05470	6.4
81.03424	12.3
85.02893	55.4
91.05485	43.4
93.07030	17.8
95.04971	6.4
97.02895	20.1
105.07026	36.7
109.02860	8.7
111.08839	6.3
114.31870	7.2
117.06977	7.9
119.08590	45.1
121.06504	16.8
129.07030	20.7
131.08524	7.7
133.06520	24.5
135.08023	10.9
139.17307	6.3
140.91925	7.2
147.08035	60.9
149.02347	74.9
163.07518	13.5
165.09097	15.8
167.03470	8.3
175.07513	22.4
178.60091	6.2
188.05510	7.2
193.08604	25.0
211.07890	9.0
211.09602	43.0
222.09073	6.3
229.10684	100.0
229.72531	6.4
235.09698	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	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	16.4
56.05024	2.4
57.07087	3.6
62.81167	2.3
69.03410	2.2
70.06593	10.3
72.08147	100.0
83.05008	4.3
84.04496	43.7
84.08159	2.4
86.09727	7.4
91.05473	16.8
101.07158	5.7
107.54653	2.3
108.20958	2.4
111.08062	2.5
116.07137	4.0
118.06541	59.8
118.07314	4.2
118.46508	2.2
129.06606	3.6
130.05002	51.8
130.05862	3.4
146.06035	3.8
147.07634	62.2
147.08722	3.9
149.02267	11.3
174.05663	2.4
186.09245	7.8
194.84738	2.4
228.10287	10.5
230.07890	3.2
245.12973	9.4
275.10358	4.3
292.12921	21.2
359.08148	2.5
392.12979	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32337	1.4
56.05018	2.8
60.04509	2.8
61.01143	26.4
69.03418	5.0
70.06584	100.0
72.08145	15.0
73.43009	1.8
83.06090	6.9
84.04506	12.3
84.08121	2.2
85.02898	7.7
85.76495	1.7
86.09698	6.5
92.45029	1.6
97.02869	3.0
98.97549	2.8
101.07140	4.6
103.05455	2.0
111.45298	1.5
116.07098	1.8
118.06036	4.1
118.06876	75.5
118.08640	4.6
120.08099	3.8
127.03898	2.0
131.04929	5.1
132.55725	2.0
137.06013	1.9
149.02356	9.8
157.06198	1.8
157.31932	1.7
163.09039	3.9
167.07072	2.5
183.11320	5.9
221.51364	1.6
228.13480	11.3
229.11835	4.8
231.69139	1.8
246.12402	3.1
246.14525	7.1
274.12137	11.4
321.98462	2.0
336.18198	1.9
374.17941	1.9
391.15695	3.3
391.20135	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	391.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01146	1.9
55.19835	1.7
55.20132	2.4
55.81998	2.2
56.05026	21.5
57.07068	5.0
58.06583	9.7
60.04515	5.3
69.03423	2.5
70.06581	10.9
71.08643	6.8
72.08146	8.1
74.06072	95.0
75.82610	2.1
81.03412	2.8
84.01656	2.2
84.04495	19.5
84.08129	4.7
85.02897	6.1
86.06033	5.7
86.09172	5.2
86.09699	100.0
98.06052	2.8
101.07133	30.4
116.07079	3.6
121.35156	2.3
123.04478	3.2
132.10269	3.3
137.06055	2.3
139.03911	6.7
142.12296	14.3
143.11865	7.6
149.02350	44.0
159.07651	8.4
167.03336	5.5
177.08701	42.1
185.03619	2.6
187.14417	87.0
207.06573	8.5
215.13925	28.6
224.09184	8.1
272.16010	5.3
293.15289	3.2
305.10190	2.8
316.18732	5.7
373.20782	7.3
379.18582	2.6
404.99744	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	391.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31649	2.9
53.00303	3.8
55.01867	6.3
55.05300	2.5
55.05504	29.4
57.03422	10.4
57.07060	16.0
57.38358	2.9
65.43678	3.0
67.05488	16.8
68.50243	3.2
69.06783	2.9
69.07062	31.8
69.19704	2.7
71.08626	5.0
79.05489	11.4
81.07037	18.8
83.08603	40.1
85.50236	3.3
88.44212	3.1
92.99377	4.0
93.07047	10.3
95.08598	14.1
96.01939	3.1
97.06521	8.5
97.10166	20.6
98.98460	100.0
107.08594	6.7
111.08074	5.8
111.11695	3.7
121.10137	16.0
123.11720	6.5
135.11703	15.6
140.01051	8.2
149.02370	15.6
155.01038	98.0
219.21152	7.3
237.22185	17.0
405.82370	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	391.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29303	2.2
53.03937	3.2
55.01860	8.5
55.05508	27.2
57.03419	10.2
57.07062	12.6
59.85567	2.5
67.05498	23.4
69.07053	41.5
71.08617	9.6
72.47530	2.5
79.05473	6.5
81.07047	26.1
83.08613	33.8
83.10074	2.8
87.77517	3.2
93.07050	14.9
95.08594	16.5
97.06506	6.0
97.10152	19.7
98.98457	100.0
107.08579	8.4
111.08118	3.9
111.11722	5.8
114.67772	3.2
114.82433	2.7
119.26064	3.0
121.10147	19.3
123.11717	4.8
135.11690	10.3
137.13313	3.1
140.01076	6.9
147.13133	3.0
149.02324	9.2
149.13194	6.1
155.01044	98.7
161.91930	3.3
196.03738	5.6
203.31989	3.4
219.21036	6.7
232.57498	3.5
237.22076	20.0
265.95029	3.5
374.42197	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	391.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.0
55.05501	32.3
57.03418	11.8
57.07057	13.2
67.05496	22.9
69.07064	40.8
71.08616	10.1
79.05483	11.1
81.07045	20.9
83.08613	19.9
91.71684	4.0
93.07047	12.3
95.08633	8.3
97.06546	5.3
97.10152	20.6
98.98460	100.0
107.08577	6.9
109.10146	8.3
111.11736	4.4
121.10163	12.0
123.11741	6.5
135.11688	11.0
140.01070	10.1
149.02341	23.9
155.01031	96.9
155.02283	6.1
196.03761	6.8
219.21129	9.6
237.22119	19.0
245.85042	4.3
249.84563	3.8
397.81046	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	391.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02209	4.0
55.01866	11.5
55.05510	34.0
57.03421	9.4
57.07060	20.5
67.05499	29.2
69.07063	38.3
69.23962	3.7
70.06575	18.2
71.08602	9.5
75.59251	4.0
79.05483	8.0
81.07035	19.3
83.08614	29.7
93.07038	13.5
95.04939	11.4
95.08608	18.4
97.06564	10.9
97.10185	25.5
98.98460	100.0
105.19978	4.4
107.08596	9.2
109.10114	5.0
111.08047	5.2
111.11681	6.2
121.10155	29.1
135.11673	10.6
140.01068	10.9
149.02315	29.0
154.08693	6.1
155.01027	98.5
160.35126	4.7
166.62473	6.0
171.32100	4.4
188.29521	4.7
195.53947	4.7
196.03702	6.1
213.82362	4.6
219.21059	5.5
237.22086	26.2
239.05708	6.4
241.84744	5.0
245.94772	4.7
323.54230	4.9
390.29886	8.3
391.30249	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	391.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01782	5.3
50.25511	5.9
57.07058	18.1
57.35219	6.9
62.53748	6.0
71.08610	9.1
95.01909	7.6
98.39259	6.4
109.84416	6.7
110.36578	7.9
120.83538	9.1
149.02347	68.3
188.58673	7.1
223.57214	8.5
265.21735	7.8
271.17538	21.9
279.18057	17.4
291.17978	17.3
294.19104	11.3
297.19092	14.0
300.56503	7.5
302.19730	28.5
309.19260	20.4
320.20801	14.5
327.20334	33.8
332.20743	40.4
332.24344	8.8
343.22287	26.5
345.21170	24.0
350.21722	35.0
368.22833	56.0
373.23297	23.3
379.65009	8.4
387.11795	7.8
390.35678	15.5
391.24365	100.0
391.36038	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	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	2.6
57.12845	2.1
63.23070	2.5
66.67142	2.4
67.05473	4.8
73.39761	2.4
79.37452	2.5
90.31837	2.4
93.07035	4.8
95.08589	7.4
115.71098	2.5
149.02286	14.8
173.74132	2.8
181.84821	3.0
312.34283	3.7
326.88446	3.4
391.24536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52774	2.5
57.07097	3.0
61.85626	2.7
67.05498	8.6
81.07050	7.1
82.36664	3.1
91.05462	4.1
91.71628	3.4
105.07024	2.9
149.02359	19.0
181.58994	3.2
184.44530	3.4
184.53647	3.0
300.04205	3.7
391.24518	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24481	6.2
56.96562	16.7
56.96861	5.9
57.07057	9.7
71.08626	10.7
81.07048	12.3
84.95553	7.4
86.41247	7.7
94.72843	6.8
96.53194	7.3
98.18191	6.6
100.56226	7.1
112.85394	7.8
114.81136	7.5
132.10170	8.9
149.02339	81.8
167.03445	9.2
190.04948	7.6
391.19644	22.8
391.24567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2842
Annotation	4651-67-6
Peak:m/z	Relative Intensity
55.05513	29.2
56.98658	6.9
57.07060	9.0
62.87709	6.8
67.05498	39.5
68.69687	7.5
69.07067	42.5
71.08646	13.8
73.75056	8.4
81.07065	39.4
83.08633	21.0
84.20327	9.0
95.08617	50.5
97.10172	11.4
98.98485	10.7
105.07038	13.9
107.04975	23.4
109.10225	13.0
109.99413	7.6
117.48644	7.7
121.06532	18.3
121.10200	11.9
125.08638	8.8
133.06464	46.1
145.06532	26.5
145.10240	8.8
147.08128	27.9
149.02405	36.0
151.03903	100.0
157.06456	8.3
161.06064	13.6
163.48103	9.3
191.07132	8.6
272.46191	9.3
337.25247	11.8
355.26468	30.7
373.27124	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2841
Annotation	Amphidinolide W
Peak:m/z	Relative Intensity
55.05493	14.8
57.07069	5.8
67.05486	29.4
69.07055	29.4
79.05484	29.3
80.59776	4.3
81.07042	37.1
81.23198	5.4
83.08604	8.2
91.05474	17.7
93.07027	29.5
95.01328	14.7
95.04951	9.4
95.08598	29.5
97.06536	19.8
97.10193	7.4
98.89650	4.6
105.07047	16.2
107.08591	24.4
109.10162	12.9
119.08563	19.6
121.10123	25.9
123.04415	11.2
123.08067	4.9
131.08531	8.1
133.10124	12.4
135.11723	11.0
138.44342	5.2
147.11700	8.3
149.02347	5.5
161.13326	6.7
189.16306	4.8
201.39600	5.3
332.41479	5.2
342.50198	6.0
355.26358	10.2
373.27274	100.0
391.28415	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2841
Annotation	3-Hydroxyirisquinone
Peak:m/z	Relative Intensity
55.05497	4.0
57.07056	6.0
65.03935	8.4
67.05462	3.3
69.07070	8.5
71.08616	6.6
72.48287	1.5
81.07019	3.0
83.08607	5.7
89.64391	2.0
93.03399	4.7
93.06997	1.6
93.94794	1.8
94.79057	1.6
95.04970	1.9
95.08617	4.5
95.98185	1.7
97.10152	2.6
107.04969	2.6
116.57899	1.8
121.02850	28.1
121.06596	1.8
123.04431	7.2
139.03853	1.9
139.98424	1.8
149.02316	22.0
149.05984	11.7
151.03914	2.0
161.05977	3.2
163.03984	2.7
163.07527	6.6
167.03383	100.0
168.03844	2.3
177.05513	4.7
177.08972	3.7
189.09134	2.8
189.43642	2.1
190.05023	1.9
191.07024	3.2
289.25165	2.3
309.97214	2.0
355.26154	2.7
373.27118	8.8
391.28140	15.0
400.24860	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	391.284
Annotation	4651-67-6
Peak:m/z	Relative Intensity
55.05502	63.4
56.28316	8.6
57.07067	73.2
59.86450	10.5
66.57873	9.5
67.05496	85.8
68.99774	15.1
69.07056	72.1
70.52354	10.5
71.08623	57.8
75.24653	9.6
79.05483	31.4
81.03404	43.9
81.07034	77.9
81.36295	12.3
83.08606	41.2
85.06524	15.9
85.10178	13.8
87.00829	51.9
91.05470	22.6
91.71782	22.2
95.04963	19.7
95.08600	67.9
97.10163	23.4
99.08087	26.6
103.94706	10.9
105.07027	25.9
107.04935	76.3
109.02892	17.2
109.10173	16.7
111.41638	10.8
117.07032	16.1
119.08548	26.0
121.06495	14.9
121.10180	17.5
123.11715	16.9
125.82097	12.6
131.04968	11.5
131.08586	15.3
133.06482	82.5
145.06490	55.5
147.08060	41.5
149.02362	48.3
151.03925	72.6
155.03319	17.1
157.06538	15.3
159.08047	38.8
161.09669	27.9
170.51288	13.4
187.12633	11.8
195.12274	25.6
290.58539	14.2
348.22678	13.2
355.26321	17.6
373.27420	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06585	100.0
73.02911	6.1
80.02464	6.8
85.02900	10.1
105.33758	6.6
109.02767	5.8
127.03242	8.8
142.03535	7.1
174.91080	7.3
184.04597	13.9
193.08226	10.3
198.06117	44.7
216.07109	22.5
239.08768	63.2
239.66454	6.6
269.19418	6.0
273.79370	6.8
277.07712	28.7
284.89352	6.8
295.08929	7.5
318.10324	20.1
373.14749	22.0
392.09897	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	392.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58465	1.3
56.02459	1.1
57.03415	1.9
61.02917	1.1
69.03412	5.9
73.02914	2.2
79.05492	1.5
85.02890	30.6
97.02898	2.1
102.75040	1.4
103.65510	1.2
107.04941	6.0
127.03915	5.9
137.06032	1.8
145.04861	2.8
146.41034	1.5
162.07574	1.5
162.73245	1.3
167.07022	100.0
180.08740	4.5
181.04839	3.0
191.94518	1.6
195.16640	1.4
213.07567	52.4
256.48669	1.3
324.97040	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	392.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77295	3.7
53.48809	2.7
55.05492	5.4
56.05021	15.8
60.04517	32.3
61.01126	7.5
61.22752	3.5
63.95816	3.5
65.70562	2.8
67.05522	6.6
69.07043	10.7
70.02935	3.6
70.06585	100.0
71.49748	3.0
72.08141	18.4
72.83431	3.2
79.05463	5.4
80.05019	3.4
81.07026	4.6
82.06561	6.5
84.04505	56.8
84.08134	6.5
85.02899	4.1
86.06026	3.6
86.09698	98.7
87.10034	4.8
88.03992	7.0
91.05479	7.0
93.06995	3.8
95.04945	4.5
95.08588	12.6
97.02808	4.0
99.94704	3.7
102.05534	17.5
104.05305	21.1
104.07136	4.3
107.04934	4.9
110.09681	4.4
116.07096	14.2
120.08129	6.4
126.27135	4.5
128.07071	9.4
129.06612	15.4
130.05038	3.7
130.12270	7.8
133.03192	11.9
136.03931	5.2
136.07588	21.2
137.06010	5.7
139.03819	4.7
142.03267	4.3
144.06543	5.1
149.02325	19.8
150.02646	5.6
150.05829	43.9
151.03883	6.7
155.11792	9.9
156.17743	3.6
162.07581	10.1
170.11804	7.4
171.29556	3.7
179.07094	9.2
185.05736	4.8
189.85725	4.3
191.07016	15.8
197.12881	18.0
199.10782	4.9
203.12354	5.3
208.09738	8.9
215.13893	29.9
225.12183	5.0
227.10326	6.4
233.28029	4.1
243.13364	7.7
249.15936	7.1
264.24640	4.8
269.58072	4.1
313.10599	5.9
330.13770	9.5
374.17465	11.0
392.12744	14.5
393.11560	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	392.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01853	3.3
55.05499	1.8
57.03415	1.4
61.02928	2.1
65.03926	4.0
65.98041	1.0
67.05496	100.0
69.03421	17.7
71.04989	2.0
73.02906	1.8
79.05483	2.8
81.03404	8.6
81.07045	11.8
85.02899	37.4
87.00819	12.4
93.07069	1.5
97.02885	16.6
99.04419	5.9
105.01863	26.6
107.08583	2.2
108.04469	1.8
109.02894	9.9
109.10149	55.8
126.05556	1.7
127.03915	22.1
129.01837	1.8
135.96991	1.3
143.43298	1.0
145.04948	10.2
159.02861	4.6
189.03908	1.7
231.04990	5.9
241.76537	1.4
249.05911	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	392.2068
Annotation	Roquefortine D
Peak:m/z	Relative Intensity
60.62791	7.1
66.57350	6.6
67.05498	12.2
69.07059	15.6
79.05474	18.6
81.07053	11.4
82.06594	7.3
84.04475	10.1
84.08091	8.7
85.02926	7.5
86.09698	33.9
91.05473	23.5
93.07040	27.9
94.06596	8.5
95.08603	9.9
105.07043	45.3
105.53948	7.0
106.06564	9.0
107.08596	29.3
109.10204	9.1
110.06040	20.5
114.01872	10.0
117.07030	14.5
119.08559	33.5
120.08136	14.1
121.10182	9.7
129.07001	10.8
131.08577	44.2
133.10132	48.6
133.10968	6.8
135.11678	16.6
136.06264	7.4
136.07567	8.9
138.01865	9.9
142.07730	7.7
143.08548	25.8
145.10139	17.7
147.11743	9.0
149.02193	7.3
152.03456	8.3
154.05013	8.9
157.10143	16.4
158.10878	12.5
161.09605	13.8
171.11655	20.1
173.13251	67.5
188.05585	11.6
199.14792	39.6
199.18115	6.8
217.15921	34.0
242.08615	7.3
252.08656	13.2
254.10243	12.3
259.51306	7.2
300.15836	9.0
336.27148	9.5
374.19556	11.7
392.20590	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36484	2.0
54.53894	2.2
56.32930	2.3
57.07071	100.0
65.99140	2.4
92.44650	2.8
95.43401	2.5
102.09199	4.7
102.91933	3.0
149.02379	3.9
165.88670	2.8
207.11380	12.3
224.13998	10.9
248.35414	3.1
308.19638	35.4
374.24365	27.3
392.25308	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73841	2.4
63.17909	2.2
71.42690	2.5
84.08132	3.5
93.16607	2.8
105.06995	2.9
120.08142	6.4
273.08609	3.3
307.11349	5.8
321.20511	3.8
322.50632	3.2
349.12567	35.9
393.11499	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01677	1.2
50.40314	1.3
56.90432	1.4
63.23728	1.3
68.05023	3.0
75.26002	1.4
93.13554	1.6
133.69618	1.6
135.08205	1.6
137.05992	3.0
143.04932	1.7
148.67921	2.0
189.06625	2.2
202.07121	2.4
204.08780	5.7
213.24353	1.8
216.08794	100.0
217.09424	2.6
218.10373	4.3
225.06387	10.2
228.09013	1.8
230.10371	10.1
240.08772	48.1
246.09862	5.5
258.09912	2.8
268.08350	4.6
300.10883	44.0
333.13379	2.0
350.72931	1.9
361.12549	3.2
375.14114	5.3
393.15189	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	8.8
57.07068	39.5
59.04974	5.4
63.91388	4.4
67.05500	16.2
69.03418	5.4
69.07050	4.8
81.07051	6.6
83.08650	6.6
84.08128	30.9
86.09663	6.7
91.05491	7.4
91.71596	6.5
95.08599	51.2
105.07024	11.9
109.06557	5.8
113.09644	11.5
119.08530	6.4
120.08100	22.6
121.06513	6.8
128.06248	7.8
130.08603	7.3
131.04916	8.2
133.06459	9.4
141.09081	6.5
143.08574	12.6
143.39905	5.6
145.06538	7.6
147.09193	7.0
149.05922	8.4
149.07068	6.9
155.08720	5.9
157.06476	5.8
161.06009	9.8
171.08107	13.1
175.08687	23.3
177.10277	16.5
181.06390	8.1
181.24863	5.6
187.07678	6.9
187.12387	6.3
189.05405	11.3
193.09746	17.6
195.13751	13.5
196.14154	9.3
199.07539	18.5
201.12791	9.0
203.08255	41.6
203.10042	7.3
206.36432	5.9
213.05429	6.5
217.05051	12.3
217.08545	11.6
220.10840	9.5
221.09174	63.1
223.10672	7.6
227.07111	15.8
228.14169	5.8
229.12234	10.9
239.07040	5.8
245.08113	11.7
245.10249	39.7
246.14871	7.2
257.11761	10.0
263.05417	7.0
263.11786	7.1
273.07623	12.9
273.14862	10.7
280.14056	41.2
283.13464	7.9
288.17102	24.3
329.14008	10.2
330.19238	13.0
334.17587	50.4
347.15109	18.4
365.15747	11.4
375.22974	15.4
393.15405	100.0
393.22491	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	393.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	8.8
57.07068	39.5
59.04974	5.4
63.91388	4.4
67.05500	16.2
69.03418	5.4
69.07050	4.8
81.07051	6.6
83.08650	6.6
84.08128	30.9
86.09663	6.7
91.05491	7.4
91.71596	6.5
95.08599	51.2
105.07024	11.9
109.06557	5.8
113.09644	11.5
119.08530	6.4
120.08100	22.6
121.06513	6.8
128.06248	7.8
130.08603	7.3
131.04916	8.2
133.06459	9.4
141.09081	6.5
143.08574	12.6
143.39905	5.6
145.06538	7.6
147.09193	7.0
149.05922	8.4
149.07068	6.9
155.08720	5.9
157.06476	5.8
161.06009	9.8
171.08107	13.1
175.08687	23.3
177.10277	16.5
181.06390	8.1
181.24863	5.6
187.07678	6.9
187.12387	6.3
189.05405	11.3
193.09746	17.6
195.13751	13.5
196.14154	9.3
199.07539	18.5
201.12791	9.0
203.08255	41.6
203.10042	7.3
206.36432	5.9
213.05429	6.5
217.05051	12.3
217.08545	11.6
220.10840	9.5
221.09174	63.1
223.10672	7.6
227.07111	15.8
228.14169	5.8
229.12234	10.9
239.07040	5.8
245.08113	11.7
245.10249	39.7
246.14871	7.2
257.11761	10.0
263.05417	7.0
263.11786	7.1
273.07623	12.9
273.14862	10.7
280.14056	41.2
283.13464	7.9
288.17102	24.3
329.14008	10.2
330.19238	13.0
334.17587	50.4
347.15109	18.4
365.15747	11.4
375.22974	15.4
393.15405	100.0
393.22491	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	393.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02357	20.6
57.07066	41.9
69.07072	25.9
81.07059	24.5
83.59035	25.2
91.71083	40.6
95.08578	49.0
118.38322	24.7
118.53706	29.0
131.08571	34.6
134.62617	28.4
137.05933	26.1
149.02390	45.0
157.10199	52.3
171.04877	30.1
185.05910	31.9
200.32709	25.9
255.13727	48.3
270.55661	29.9
273.14822	76.4
283.13196	55.0
301.14288	43.4
319.15292	30.5
329.13800	61.1
366.37463	37.7
381.26285	33.8
393.15253	100.0
408.38068	31.9
411.16083	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07055	30.4
61.04392	25.6
61.41673	20.9
65.14852	23.0
70.77482	26.3
79.19388	28.6
95.08583	46.7
97.68596	27.9
110.00646	33.8
117.07048	40.5
145.10094	40.7
149.04402	32.4
199.07480	34.5
273.14694	62.4
282.86237	34.7
312.74194	46.5
393.15286	55.1
411.16422	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10217	3.7
55.05522	4.6
57.03441	6.4
65.03954	6.8
67.05494	100.0
67.05823	7.5
69.03429	39.0
71.05003	6.3
71.08695	4.2
78.33507	4.6
80.65559	4.3
81.03429	13.2
81.07072	6.9
83.08656	8.7
85.02892	69.6
85.06544	26.8
87.00821	32.4
90.27872	4.8
92.66919	5.0
93.83324	4.8
97.02917	22.1
99.04494	10.1
105.01854	42.2
107.99300	5.0
109.02896	12.9
109.10148	75.6
109.10844	6.3
124.10966	5.5
127.03916	35.4
127.11235	17.9
138.39592	4.7
138.56622	4.5
145.05017	10.6
189.92740	5.2
204.08812	5.6
216.08778	88.3
216.10669	7.7
225.06480	14.4
230.10379	13.0
231.04918	8.5
236.01811	5.1
240.08812	57.4
246.09912	7.6
268.08249	8.7
300.10895	35.9
313.78195	5.7
385.75769	7.2
393.15179	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	393.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10217	3.7
55.05522	4.6
57.03441	6.4
65.03954	6.8
67.05494	100.0
67.05823	7.5
69.03429	39.0
71.05003	6.3
71.08695	4.2
78.33507	4.6
80.65559	4.3
81.03429	13.2
81.07072	6.9
83.08656	8.7
85.02892	69.6
85.06544	26.8
87.00821	32.4
90.27872	4.8
92.66919	5.0
93.83324	4.8
97.02917	22.1
99.04494	10.1
105.01854	42.2
107.99300	5.0
109.02896	12.9
109.10148	75.6
109.10844	6.3
124.10966	5.5
127.03916	35.4
127.11235	17.9
138.39592	4.7
138.56622	4.5
145.05017	10.6
189.92740	5.2
204.08812	5.6
216.08778	88.3
216.10669	7.7
225.06480	14.4
230.10379	13.0
231.04918	8.5
236.01811	5.1
240.08812	57.4
246.09912	7.6
268.08249	8.7
300.10895	35.9
313.78195	5.7
385.75769	7.2
393.15179	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	393.206
Annotation	Vismin
Peak:m/z	Relative Intensity
50.16573	1.4
55.05492	1.6
55.84171	1.6
56.96555	2.0
57.07065	13.5
65.77330	1.5
66.44346	1.5
81.07049	7.5
83.04971	1.9
85.06535	4.2
91.05469	3.7
94.04192	4.4
103.05434	3.5
103.07439	1.8
107.04912	2.1
109.06541	8.5
122.03632	7.5
131.04942	4.4
131.08527	2.1
137.05966	100.0
153.07013	1.8
159.08023	4.7
161.05896	3.8
163.07533	7.2
187.07582	2.3
229.12230	3.9
321.14816	4.4
393.15808	3.1
393.20630	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41733	1.1
56.42670	1.3
67.05505	1.4
70.06580	3.5
72.08133	5.3
84.04480	2.1
86.09692	3.6
120.08035	6.7
137.05879	1.4
171.42903	1.4
204.46838	1.4
216.08801	6.6
240.08749	3.4
300.10968	3.0
393.20911	100.0
394.21121	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	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02111	2.0
57.07047	2.4
66.34125	2.3
69.48576	2.1
86.09702	30.1
87.92149	2.5
103.05466	3.0
120.08091	100.0
135.54387	2.8
143.11810	16.1
223.10725	20.0
237.01248	2.9
274.80920	3.1
393.18881	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	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02111	2.0
57.07047	2.4
66.34125	2.3
69.48576	2.1
86.09702	30.1
87.92149	2.5
103.05466	3.0
120.08091	100.0
135.54387	2.8
143.11810	16.1
223.10725	20.0
237.01248	2.9
274.80920	3.1
393.18881	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	393.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54634	2.4
55.05498	4.9
57.03428	7.9
57.05397	1.9
57.07071	49.2
67.05502	16.7
69.07050	9.2
71.08617	40.8
81.07041	25.0
83.08614	14.5
85.10189	16.4
95.08595	34.4
97.10152	7.4
97.49442	2.4
98.98457	79.1
109.10169	13.7
118.01675	2.6
120.11887	2.2
123.11726	5.5
140.01102	3.3
154.99774	5.1
155.01036	100.0
196.03702	5.7
208.63145	2.7
239.23705	8.7
239.49240	2.3
245.35347	2.4
316.71317	2.7
405.99753	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	393.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	3.5
55.05497	5.4
57.03434	5.4
57.06809	2.7
57.07071	51.0
64.90578	2.5
67.05492	19.0
69.07056	11.8
70.48241	2.6
71.08627	34.9
81.07051	26.0
83.08625	13.8
85.10168	22.5
91.71078	3.2
95.08601	30.0
97.10157	7.7
98.98461	74.4
109.10165	10.9
111.45155	3.0
123.11695	6.0
140.01042	3.3
140.64159	3.5
155.01039	100.0
159.42621	3.0
165.46306	3.1
182.79228	3.2
184.29370	2.7
196.03709	7.2
202.74243	3.4
239.23759	8.1
291.95416	3.4
338.35205	3.9
396.80081	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	393.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	2.2
55.05495	6.5
57.03424	5.9
57.07072	44.6
61.71871	1.8
64.69687	1.8
67.05497	20.5
69.07047	10.6
69.77012	2.1
71.08616	24.3
81.07043	20.1
83.08612	12.2
85.10183	15.0
93.07034	4.2
95.08595	28.9
96.16689	2.5
97.10177	5.6
98.98457	63.2
98.99064	4.8
109.10177	16.7
123.11713	4.4
140.01080	6.7
143.40208	2.2
155.01035	100.0
190.91978	3.2
196.03677	4.0
209.32594	2.6
212.37697	2.8
239.23677	6.8
334.41199	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	393.24
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68552	6.5
57.03429	7.6
57.07070	66.6
65.49799	6.5
67.05487	28.6
69.07052	16.9
71.08616	45.9
81.07049	21.7
83.08616	22.1
85.10151	14.0
87.87299	7.0
95.08606	33.5
97.10187	9.9
98.98454	70.0
100.43546	8.7
109.10116	11.8
135.76082	9.8
155.01027	100.0
218.01230	8.0
237.65007	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	393.242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	23.0
55.83444	12.5
57.07060	30.8
62.55600	13.5
81.07066	20.6
83.04980	36.1
83.08611	19.3
91.05450	38.7
91.71042	34.1
93.07019	23.6
105.07050	33.9
115.50655	14.7
117.06957	16.7
119.08559	100.0
130.16600	17.9
135.08107	29.5
137.05887	16.5
161.09639	33.8
376.26004	20.3
393.24203	58.2
397.21582	22.8
397.64392	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	393.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40607	5.3
57.07045	8.0
70.23363	6.6
73.82703	6.3
82.67563	5.7
104.58433	5.6
107.19843	6.2
108.73633	7.6
122.15195	6.6
145.66365	7.1
149.38548	6.4
173.56570	7.3
255.17740	8.2
265.12283	7.8
320.12881	7.7
340.62988	7.2
393.26053	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56802	2.1
61.34967	2.1
67.05468	2.4
75.21238	2.7
83.77966	2.4
125.39230	2.7
127.17706	2.8
131.86917	3.5
235.81186	3.0
253.80078	2.9
267.99152	2.7
349.59793	3.3
355.77191	3.7
393.26056	100.0
398.35443	3.1
408.49753	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	393.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65984	5.6
54.94233	6.9
55.05502	42.0
57.07064	12.1
61.22104	6.6
67.05486	18.1
69.03436	8.9
69.07054	19.6
79.05481	8.5
81.07053	56.1
83.08624	43.5
84.60320	8.4
91.05466	32.8
92.84525	7.4
93.07037	31.3
95.04967	11.0
95.08611	36.7
105.07004	43.4
107.08601	38.6
109.06525	15.8
109.10184	16.8
111.08059	23.4
117.07024	8.8
119.08570	41.3
121.06528	10.3
121.10129	18.7
123.11680	12.6
131.08543	19.8
133.10118	11.2
137.12141	8.2
143.08569	15.8
145.10129	42.7
145.99362	9.3
147.11754	13.9
155.08575	14.1
157.10130	12.2
159.11688	21.4
161.09659	11.4
161.13416	11.8
163.11182	18.3
173.13203	9.3
180.62378	8.6
183.11758	8.7
185.13257	10.1
186.61519	9.6
187.11148	10.0
189.12727	10.5
201.12839	9.4
205.12164	70.2
283.20544	20.1
337.21671	24.8
375.26648	12.0
393.27765	100.0
416.16394	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	393.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10585	10.3
54.34951	10.1
54.43629	9.3
55.05492	54.8
57.07065	13.1
59.85014	10.5
60.63089	9.2
67.05484	19.3
69.07043	17.0
71.05006	11.2
73.79137	11.3
81.07041	42.3
83.08603	57.0
91.05473	33.4
91.70908	13.1
93.07034	53.6
95.08606	44.1
105.07014	45.1
107.08598	35.4
109.10130	24.2
111.08092	20.6
119.08576	33.9
121.10146	26.0
129.02704	11.8
131.08499	19.1
143.98648	13.3
145.10164	42.0
147.11700	17.1
157.10127	21.0
159.11685	37.9
163.11192	16.1
181.10123	12.4
205.12209	100.0
231.13828	29.2
261.82065	13.1
279.97223	15.2
283.20575	19.7
337.21744	21.1
393.27838	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	393.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	15.8
57.07059	26.2
65.70766	5.8
67.05496	36.4
68.88911	6.0
69.07055	24.2
69.97431	6.2
71.08614	23.8
73.97790	5.5
78.93353	5.7
79.05482	20.2
81.07043	75.3
83.04955	9.7
83.08612	12.9
85.06525	8.7
87.32365	6.5
91.05467	53.6
93.07027	64.3
95.04948	53.7
95.08590	46.4
97.06508	8.7
97.60880	6.2
98.98467	26.4
105.07030	100.0
106.32800	7.7
107.08571	46.1
109.06538	13.9
109.10130	39.4
117.07025	14.7
119.08570	89.2
120.85394	6.8
121.06491	23.1
121.10167	34.9
128.06230	13.5
129.07011	15.3
131.08548	42.9
133.10152	47.3
135.11705	14.6
142.07764	20.1
143.08566	37.5
144.28050	7.1
145.10106	54.8
147.11691	18.6
155.01001	37.9
155.08612	11.4
156.09386	12.4
157.10117	51.9
159.11691	29.3
161.09543	15.2
169.08629	6.5
169.10124	15.1
171.11717	19.1
171.43953	8.5
173.13272	12.3
175.14815	15.6
181.10072	8.1
183.11646	12.9
185.13246	9.1
187.14854	11.2
197.13295	10.6
204.76279	9.2
209.13272	9.9
235.78094	8.8
238.99472	8.1
246.54181	7.7
333.12244	7.8
363.09128	8.7
389.32153	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	393.2996
Annotation	Isodeoxycholate
Peak:m/z	Relative Intensity
55.01854	2.5
55.05503	24.0
57.07060	6.8
57.63868	2.3
64.85468	1.9
65.03939	2.5
65.15488	2.3
66.42500	2.4
67.05489	32.5
69.07054	26.4
71.08619	3.2
79.05474	14.2
81.05659	2.7
81.07043	36.9
83.08629	14.0
91.05470	19.6
93.07028	23.2
95.01310	6.4
95.04951	6.9
95.08590	25.5
97.02883	4.9
97.10155	7.5
105.07008	14.9
107.04961	15.4
107.08572	13.4
109.06535	3.5
109.10152	12.4
109.98345	2.6
117.07024	9.7
117.50181	2.6
119.08569	8.2
121.02905	2.7
121.06510	5.7
121.10144	9.5
123.04457	2.7
123.11652	3.3
129.06992	8.4
131.08557	9.6
132.19969	2.7
133.06488	7.5
133.10158	5.6
135.08049	7.3
135.11713	7.3
137.05957	3.0
143.08592	7.4
145.06499	5.5
145.10117	6.5
147.08093	6.1
149.05989	4.0
149.09578	4.4
157.04973	5.3
157.10185	5.1
169.10179	3.8
173.09563	3.0
177.09164	4.4
185.13205	4.1
199.11220	3.1
329.28732	3.8
339.26843	6.7
357.27887	28.3
375.28900	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	393.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12029	5.4
52.98943	4.8
55.05505	8.4
57.07067	10.2
58.20272	6.1
63.69051	5.1
67.05486	5.8
67.18530	5.5
69.07056	18.4
78.27199	5.4
80.49494	7.0
81.07052	9.3
82.87874	6.0
83.01333	14.5
91.71074	11.7
92.03262	5.9
95.08609	9.6
97.06530	9.2
107.08597	9.1
109.10166	8.1
111.04454	7.3
125.02343	7.8
141.05481	14.2
153.05504	14.6
154.65236	6.1
223.13387	7.9
295.22760	17.1
307.22711	41.8
349.27335	100.0
374.78668	7.2
393.30185	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62437	8.1
52.40697	7.1
55.01856	8.3
55.05505	68.5
57.07057	21.6
58.33365	7.1
58.61163	6.8
67.05495	74.1
67.59336	7.5
68.99783	21.4
69.07063	90.9
71.08601	12.6
79.05492	13.3
81.07051	79.8
83.08610	44.7
85.61922	7.5
91.05458	13.0
91.71653	22.4
93.07034	25.7
95.08592	85.8
97.10147	29.3
105.07041	10.1
107.08563	12.0
109.10129	45.9
111.04458	10.9
111.11753	12.6
118.72501	9.5
119.08509	8.5
121.10120	23.3
123.11729	12.1
125.05973	9.7
125.51511	7.8
129.01810	42.0
152.13702	10.0
174.76012	11.5
191.89966	8.8
254.05644	8.7
273.25821	9.6
291.26947	10.7
327.12988	10.2
333.27841	16.4
338.00427	11.0
376.84659	9.9
393.29974	100.0
413.08771	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.7
55.05496	16.2
57.07053	4.8
63.14045	1.6
67.05492	22.5
69.07055	22.7
79.05477	4.9
81.07045	35.4
82.06551	6.6
83.04955	3.4
83.08613	11.3
85.63726	1.7
87.12993	1.9
91.05466	5.0
93.07045	9.2
95.08594	27.9
97.10158	3.2
105.07034	6.0
107.08601	4.7
109.06496	5.2
109.10134	12.2
119.08587	6.4
121.10132	7.0
123.11743	3.9
125.67512	2.2
127.08714	2.6
133.10094	3.1
147.11668	5.3
149.13240	4.7
161.13240	4.6
164.36780	2.5
165.12663	3.8
182.15520	2.1
196.16951	2.8
220.95494	2.1
231.21092	5.5
248.23882	2.4
249.22157	6.9
254.46147	2.4
266.24756	67.0
357.28976	3.7
375.29980	37.9
393.31079	100.0
394.30966	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	15.7
57.07060	4.7
58.60340	2.1
67.05493	31.9
69.07055	20.3
74.19565	2.7
79.05482	3.8
81.07051	33.0
82.06577	5.6
83.08588	12.2
88.36828	2.8
91.05489	4.3
91.91393	2.2
93.07037	10.7
95.08601	29.2
97.10149	4.7
105.07034	4.6
107.08599	6.2
109.06513	8.3
109.10148	14.1
110.06012	2.7
119.08562	7.0
121.10165	7.5
123.08085	2.7
123.11705	5.0
127.08643	2.4
133.10196	4.5
135.11630	5.6
147.11691	7.0
149.13274	7.7
160.92993	2.6
161.13194	2.8
203.57550	2.5
208.17249	2.4
231.21124	7.3
238.25287	4.3
249.22185	3.1
266.24753	63.8
375.29950	38.9
391.85876	3.6
393.20715	4.9
393.31097	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3149
Annotation	Ergosta-4,6,8(14),22-tetraen-3-one
Peak:m/z	Relative Intensity
53.18722	4.3
57.07074	10.8
58.42817	4.5
60.31858	4.6
69.07053	79.8
71.03389	6.0
71.45493	5.5
81.07073	10.8
83.08621	8.4
85.40399	6.3
95.08662	12.5
109.10201	8.8
112.11569	6.1
128.13496	5.9
145.60016	6.2
169.24438	6.7
209.13304	6.3
253.15880	16.8
268.18198	58.8
286.91653	6.6
322.25244	22.9
393.31415	100.0
396.15451	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73687	3.7
55.05503	5.1
56.39379	3.2
57.06802	7.0
57.07068	88.7
58.07817	3.4
59.62083	3.3
61.72661	3.4
64.22525	3.7
67.05490	10.2
69.07051	10.0
71.08617	61.6
73.06546	5.7
79.38316	3.7
81.07038	15.2
83.08602	15.2
85.10169	39.6
87.26124	3.7
89.06021	100.0
89.06543	8.1
89.34924	3.9
92.21033	4.3
95.08606	20.2
97.10147	5.9
98.98454	33.4
99.11681	7.0
104.03597	4.4
109.10166	6.0
114.09154	3.7
130.08653	31.8
133.08600	51.2
155.01036	48.0
176.56026	4.3
177.11148	10.1
195.12154	5.5
195.94170	4.0
229.82753	4.8
239.14874	10.8
266.16931	4.8
275.13498	4.0
407.66321	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	394.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48515	3.9
69.99958	3.5
70.16043	3.6
78.15839	3.5
80.31974	3.9
86.09669	5.2
91.85771	3.9
94.23620	4.2
125.67998	4.2
126.08932	4.2
212.19360	4.8
232.09433	9.2
300.90381	5.2
349.05838	4.3
389.00302	4.7
389.25180	5.1
393.80145	5.9
394.14740	100.0
395.14932	5.9
404.80304	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25606	0.7
64.38355	0.6
76.68068	0.7
77.03970	0.9
86.45753	0.8
91.05466	6.0
93.07032	8.2
95.04957	2.9
103.04863	0.9
103.05449	4.4
119.04912	0.9
121.06499	100.0
122.06870	1.0
137.06018	1.2
138.89349	0.8
166.12263	82.0
167.82300	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.2
56.05029	2.5
60.04510	4.1
67.05470	0.9
70.06580	3.4
72.08146	100.0
74.07399	0.9
77.78413	0.8
84.04495	27.1
84.08126	1.9
85.02914	1.6
86.09698	3.0
91.71054	1.2
102.05534	16.7
103.05438	1.9
108.08080	1.3
110.09737	1.2
118.08668	2.2
120.08096	46.6
128.28104	0.9
129.10233	1.4
136.06169	4.4
137.05988	1.5
138.09138	3.7
156.10202	3.5
166.08615	17.8
168.60921	1.0
183.11319	8.9
186.09192	2.3
201.12344	28.3
211.10796	2.8
229.11810	19.4
231.11324	3.4
233.16333	1.1
242.48320	1.1
277.11752	5.5
295.12943	1.6
326.16013	1.7
353.98727	1.2
394.20740	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	394.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.2
55.05489	10.6
56.03973	6.0
57.03407	6.7
61.02905	7.1
61.20366	5.5
63.68248	5.5
67.47776	5.7
68.55672	5.1
69.03419	49.0
69.07063	42.7
72.85909	6.0
73.02914	5.6
80.88670	5.3
81.03405	20.2
85.02894	100.0
87.00816	38.6
91.71679	7.4
97.02875	31.9
99.04438	9.1
105.01868	64.6
109.02866	22.9
127.03902	59.3
129.81166	6.5
145.04947	23.7
149.35973	7.1
165.45090	6.8
231.05055	16.6
235.47943	6.9
325.51062	7.1
416.91309	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	394.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	11.2
63.03983	7.9
69.03414	49.8
69.07049	48.9
75.39438	8.5
78.23997	11.5
81.03407	21.7
85.02895	100.0
87.00822	33.6
97.02904	38.0
99.04471	12.0
100.10049	8.1
105.01865	81.3
109.02878	23.7
113.83108	9.9
115.04070	7.9
116.26868	9.6
127.03927	74.8
145.04951	27.8
159.02933	18.1
231.04973	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.4
55.01859	7.0
55.05488	9.2
57.03418	9.9
66.81136	4.1
67.05494	8.8
69.03419	42.9
69.07057	72.4
71.04977	7.1
73.02895	5.9
81.03395	32.0
81.07026	9.4
85.02892	100.0
87.00826	21.7
91.71706	4.4
97.02870	38.8
98.06039	10.1
99.04438	12.2
99.08081	4.4
105.01857	54.1
109.02869	24.8
111.11679	9.9
126.42017	3.7
127.03908	58.3
141.97043	4.4
145.04959	13.9
147.08304	3.9
159.02876	7.9
231.04948	11.7
232.18942	4.4
283.75504	4.8
288.33234	4.9
365.08130	5.1
394.18616	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	394.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20308	4.3
56.96547	9.5
57.07063	7.3
58.69607	3.9
61.77020	4.3
70.06570	21.3
88.07620	24.8
91.71637	9.8
102.09177	23.7
149.02335	86.1
149.03403	7.5
180.58743	5.7
193.04950	100.0
228.23172	47.9
339.15674	7.7
376.22574	7.6
389.14819	6.7
394.25851	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06798	6.9
57.07066	100.0
64.12315	3.8
69.07056	5.0
71.08623	80.4
81.58277	3.9
85.10172	35.1
89.06023	77.3
90.68185	4.2
93.88287	4.9
96.59377	4.5
97.10195	3.7
105.47161	4.3
107.07066	4.4
116.07020	5.1
130.08635	24.9
133.08586	39.4
142.58580	4.8
177.11223	8.1
193.64378	4.6
195.12257	55.0
201.63602	4.6
244.21333	4.9
295.49744	5.7
322.42358	4.8
340.05045	4.8
377.32541	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	13.3
69.03434	9.0
69.07037	9.1
70.06587	13.5
70.91425	6.7
74.07750	6.3
74.77072	6.5
84.04498	100.0
85.02895	17.2
86.09694	22.6
88.03981	38.0
109.10149	8.0
119.17542	7.3
120.08083	17.8
121.76347	7.6
121.84016	7.2
127.03944	8.8
130.04988	65.7
136.06212	9.7
136.07542	8.5
137.05989	9.4
149.79933	7.6
153.06526	9.2
154.05005	14.0
198.03632	7.3
217.08168	55.6
326.16315	9.5
365.84698	9.4
395.11176	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	395.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
76.72467	2.8
88.73406	3.2
89.86513	2.7
97.89577	3.3
137.06001	4.2
148.50557	3.1
208.84550	4.1
233.07845	8.7
274.10797	5.2
275.08688	5.7
320.12964	3.4
395.13052	100.0
411.95584	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	395.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30235	3.1
57.13623	3.1
57.75322	3.5
66.21484	3.3
71.85048	3.9
72.08154	4.2
81.85241	4.0
91.05500	5.8
118.98187	5.2
120.94746	4.4
150.81497	4.7
153.61002	4.2
217.04907	4.6
224.95952	4.8
395.13141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15729	1.3
60.53730	1.2
68.71258	1.3
76.42278	1.4
88.38809	1.7
89.06304	1.5
89.81063	1.5
105.07021	2.0
125.00832	1.6
127.32849	1.7
188.08968	1.8
195.38705	2.0
233.07817	100.0
248.40984	1.9
254.52167	1.7
352.39490	2.0
369.87915	2.0
395.12967	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	100.0
57.51176	40.9
58.53160	41.4
60.74870	43.3
86.19630	40.8
90.74310	50.2
99.60195	39.4
133.76836	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	395.1697
Annotation	Gibberellin A39
Peak:m/z	Relative Intensity
51.88159	17.7
53.36974	15.3
57.07057	100.0
58.81231	17.6
60.08463	17.0
60.45564	17.0
60.47861	17.2
67.05481	25.3
80.12977	17.1
84.96789	19.4
91.05474	20.8
95.04907	25.2
122.32513	23.1
131.04823	21.2
149.35699	19.9
173.09860	25.2
232.76022	26.8
283.03323	25.2
322.52176	25.1
357.92255	25.5
377.16058	47.8
412.34308	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.17
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89961	6.4
53.00303	6.1
55.05494	16.4
56.14796	6.9
57.07068	100.0
61.50039	5.5
61.81360	5.8
62.06091	5.8
67.05499	22.3
69.03417	9.9
69.07040	15.3
72.16798	6.3
76.07980	6.6
77.40230	6.0
81.07040	9.8
81.40453	7.7
83.01337	12.5
83.04962	10.7
83.08606	22.2
85.02921	8.1
89.09010	7.6
91.05464	29.3
91.71065	11.9
93.07037	26.3
95.04974	11.5
95.08590	80.8
104.74894	7.4
105.07022	23.1
107.04990	10.8
107.08635	9.1
109.06535	11.9
113.09678	21.2
115.05480	13.2
117.07021	79.6
118.90167	6.1
119.04920	10.6
119.08595	29.3
119.77510	8.2
121.06516	15.1
121.10115	11.4
127.03882	7.6
129.07018	7.2
130.59842	6.8
131.08572	18.9
133.06528	8.1
133.10115	8.2
135.04518	11.7
135.08031	8.6
141.07010	8.6
143.08548	14.3
145.06482	45.8
145.10144	22.4
147.08073	12.7
155.08542	30.1
157.10109	9.3
159.08121	18.7
161.05988	16.2
163.07558	12.3
171.08009	11.8
173.05975	29.0
173.09647	43.8
175.07350	10.4
175.11166	9.3
183.08093	20.6
183.11758	8.9
185.06053	10.5
185.09631	15.4
185.13274	12.1
187.07494	11.5
191.68213	8.8
199.11153	9.8
201.05482	21.6
201.09135	37.6
203.07088	13.5
203.10587	17.9
205.08543	16.8
209.08093	12.0
211.07629	15.7
213.12794	28.8
215.07001	11.7
215.14413	28.8
219.06500	10.6
219.10286	8.8
225.67134	7.8
227.07047	12.3
229.04968	8.6
229.08556	45.4
229.12346	10.9
239.14334	15.1
239.26822	8.8
247.06169	25.9
247.09628	36.7
251.71109	7.7
257.08090	24.5
257.15381	26.8
259.09958	8.4
259.13324	29.2
265.10733	15.8
275.05542	62.8
275.08951	11.7
277.14417	55.9
285.14929	29.0
303.08679	14.9
303.15829	49.0
321.09625	13.6
321.16913	74.5
331.15417	20.7
359.14905	11.7
377.15891	76.8
418.18945	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	395.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82342	18.5
55.05484	20.4
57.07066	97.0
62.70349	22.1
65.45872	18.2
67.05482	27.6
68.85879	18.5
69.03416	34.5
69.07066	32.1
75.23768	20.6
75.92458	18.4
81.07019	22.6
85.02922	47.6
87.26578	18.3
90.44221	19.9
91.05458	29.7
93.07021	37.9
95.08602	79.2
113.09669	28.8
121.06432	30.1
125.09653	100.0
133.06490	26.7
137.05963	46.2
138.36389	24.5
145.06487	54.2
145.10060	31.1
161.05792	29.7
171.11653	26.1
199.96719	23.3
215.14192	32.2
229.08624	44.0
233.15417	72.1
257.07956	29.1
275.05606	36.0
321.16934	34.2
377.15988	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.17
Annotation	Gibberellin A43
Peak:m/z	Relative Intensity
55.05500	15.3
57.07068	68.3
67.05502	20.3
78.94213	9.8
79.05500	12.0
83.04947	12.7
91.05461	19.4
91.70959	11.1
95.08598	57.9
105.07030	11.2
107.04959	18.5
111.04480	11.6
113.09640	17.3
119.04974	10.5
122.58366	11.0
132.52377	10.4
136.44008	10.1
137.05943	14.2
143.08510	12.9
143.41005	11.4
145.06514	28.1
145.10141	23.2
155.08626	15.4
173.09669	11.5
176.30460	13.0
183.08028	22.1
185.09575	21.8
187.54898	10.7
191.10608	11.2
201.05556	14.6
201.09140	19.9
203.07011	13.7
210.73424	12.0
211.07719	26.5
215.10765	12.7
219.39314	11.0
229.08565	28.8
229.15802	12.9
239.07045	12.5
241.08438	12.1
241.44441	10.7
247.09576	17.2
257.08115	12.9
267.13657	14.3
285.07669	18.5
285.14938	18.7
303.15884	24.7
331.15332	37.2
349.16302	61.6
354.92569	15.0
359.14795	49.7
377.15891	66.1
395.17102	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36155	2.8
57.07067	23.2
57.41914	2.8
57.49638	2.9
63.26086	2.9
67.05476	3.3
69.07042	3.1
76.87030	3.0
79.05494	6.2
81.07046	7.7
81.82571	3.0
85.06529	8.9
86.93581	3.5
87.88748	3.7
91.05465	32.7
93.07035	31.1
95.04950	9.9
95.08611	7.6
105.07011	10.9
113.70628	3.7
117.07023	13.2
123.51951	3.6
129.07011	7.9
131.04936	7.4
131.08514	18.8
137.05977	32.5
145.06516	20.8
145.10147	8.8
159.08141	9.2
173.09613	100.0
187.11183	12.3
187.14803	5.1
188.12004	9.5
201.12585	3.8
209.31114	3.6
215.14290	10.4
216.15100	54.8
217.15834	4.9
221.34180	3.3
241.15977	5.6
259.03903	3.8
293.11667	8.2
300.73340	3.9
303.12125	3.5
315.93802	3.7
395.18460	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	395.1852
Annotation	epi-Conferdione
Peak:m/z	Relative Intensity
53.03929	21.7
54.44875	8.4
57.07061	100.0
60.56615	10.6
67.05468	11.2
72.83790	10.4
79.05461	17.6
81.07050	18.6
85.06541	44.5
89.07993	10.7
91.05481	38.0
95.04913	15.9
119.04921	16.8
122.03585	14.2
137.05966	89.3
137.09631	16.4
146.18182	14.4
161.06004	19.8
170.43376	14.1
175.07585	24.9
175.11197	16.9
182.07129	11.9
187.07442	24.1
219.12254	12.8
227.06981	27.4
260.26529	13.8
261.09036	17.3
275.10571	19.0
329.30762	14.3
331.27930	16.1
349.17880	83.1
377.17453	99.1
395.18311	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	100.0
65.70546	12.0
73.02634	11.0
79.05495	28.7
81.03407	16.0
81.07026	15.4
83.04934	20.1
83.46759	11.9
85.06524	29.0
91.05466	89.3
93.07027	17.3
95.04941	20.8
97.11027	11.3
105.07034	39.8
115.08985	13.1
115.71306	11.5
129.07008	20.8
131.08553	81.5
133.06474	16.7
137.05989	47.4
145.06409	14.7
149.55357	13.7
161.05980	14.4
173.02258	13.5
183.63835	12.8
185.20322	13.7
195.08339	16.4
201.05397	21.6
215.64171	12.5
231.08264	14.8
267.10300	19.3
295.09564	68.4
377.17514	46.2
395.18671	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1851
Annotation	epi-Conferdione
Peak:m/z	Relative Intensity
57.07069	100.0
58.93036	10.0
59.69895	11.3
71.91566	10.4
72.50177	10.7
80.29149	12.2
81.07044	13.5
85.06527	14.7
91.05469	37.4
91.71629	13.1
95.04960	20.9
96.25720	11.3
111.85936	13.6
137.05969	93.4
137.09622	17.8
151.03763	17.4
161.25858	15.7
175.11243	21.4
187.07509	17.6
187.11252	18.4
188.53455	14.4
194.42876	12.9
211.07576	25.0
239.93539	13.5
251.10265	14.8
265.38632	14.9
272.51343	13.9
283.13205	15.2
349.18030	60.7
377.17639	71.0
395.18597	72.3
408.92352	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.204
Annotation	Gly Arg Tyr
Peak:m/z	Relative Intensity
57.44110	4.2
61.74778	6.0
64.27374	6.3
73.00307	5.2
99.46351	5.0
125.01227	5.2
126.20075	5.6
136.64404	6.1
277.95636	5.7
296.73618	6.0
355.17081	9.5
395.20380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36901	4.6
53.03947	6.9
54.97088	5.9
55.05502	14.7
57.03444	9.1
57.07081	6.0
61.02922	8.1
67.05503	13.5
69.03423	35.4
69.07052	72.3
71.05007	6.9
79.05518	7.4
79.97821	6.6
81.03426	23.0
81.07079	21.8
83.05001	6.4
85.02898	91.3
85.44427	5.5
87.00838	11.6
91.05485	14.4
93.07048	6.8
95.08646	20.4
97.02921	28.2
99.04468	14.5
105.01867	12.6
105.07068	19.8
109.02914	21.1
111.11757	21.8
112.33271	6.7
117.07048	7.9
119.08616	8.5
127.03958	29.6
129.12791	15.2
131.08614	16.9
143.08627	6.6
145.04947	12.3
145.10194	11.4
147.04536	8.3
147.08128	8.6
157.06575	6.7
159.02959	6.9
159.08107	6.9
159.11722	11.8
173.09657	8.8
175.11246	17.4
187.14848	12.2
199.11255	9.9
201.34842	6.3
207.91115	6.2
215.14249	100.0
217.12343	7.9
231.05324	8.1
337.16785	7.8
410.51794	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	395.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07194	1.2
68.94390	1.0
70.06579	15.5
72.08143	6.1
72.08492	1.2
79.80604	1.0
80.04998	2.0
84.04492	2.2
84.08141	2.0
86.09696	11.1
86.89593	1.1
87.10023	1.4
97.08906	1.7
108.08109	71.7
109.08897	10.8
119.08586	1.4
119.87061	1.1
120.08117	2.3
120.42526	1.2
122.09657	20.8
123.10471	1.4
133.15073	1.3
136.11211	14.3
150.12802	2.3
151.13535	24.8
185.16493	2.2
185.22070	1.4
186.16818	1.7
213.15781	1.7
265.12656	1.4
326.15939	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	1.3
56.33953	1.4
60.04523	2.4
69.03439	2.0
70.04406	1.3
70.06585	45.3
71.85081	1.2
72.08144	15.1
73.08484	2.3
84.04530	3.0
84.08173	2.2
85.02934	2.3
86.09721	3.0
89.52906	1.4
91.05498	1.6
97.08950	1.3
100.75613	1.5
102.05575	3.2
105.34946	1.4
108.08109	69.6
109.08918	7.3
112.55781	1.7
114.24309	1.2
120.08137	4.7
121.08427	2.4
122.09650	18.0
127.52380	1.5
129.10324	1.4
132.15146	1.9
136.11191	13.1
150.12807	1.9
151.13559	26.6
161.83110	1.5
168.33551	1.3
201.12410	2.6
326.15952	100.0
357.71692	1.6
395.21869	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	395.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34522	10.7
57.72901	13.4
58.86172	12.1
61.12283	12.3
67.05487	28.1
70.37218	13.2
84.04505	12.4
95.20882	12.6
98.22636	12.2
104.16087	14.7
155.01105	20.8
163.27185	14.9
179.71927	14.4
184.25992	18.3
187.03688	42.9
395.21890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00004	5.2
50.07626	5.3
51.93977	6.1
52.90583	5.8
53.03938	13.5
55.01860	27.2
55.05501	23.6
55.08234	6.3
56.53685	6.3
57.03429	12.4
66.05921	6.2
67.05503	83.5
69.03418	61.2
69.07059	11.9
71.04984	26.0
79.05481	80.1
81.03425	67.2
81.06653	8.6
81.07054	82.7
83.04980	6.4
83.08627	12.0
84.01968	7.2
85.02885	11.0
85.18789	8.0
91.05473	57.0
93.07035	100.0
95.04955	19.8
95.08587	52.8
97.02886	66.2
97.06490	6.9
99.04450	77.3
105.07037	34.0
107.08588	24.5
109.02897	37.6
109.10162	25.5
117.07007	19.1
119.08602	31.9
121.10131	67.3
123.11698	8.3
127.03930	73.6
131.08565	15.0
133.10086	21.1
135.11728	14.5
145.04918	9.7
145.10172	13.2
147.11641	7.5
149.13281	8.1
154.68297	7.8
159.11725	16.7
179.72612	9.7
215.17986	8.2
311.39526	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	395.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58452	9.2
53.03938	14.6
55.05494	33.9
56.78302	11.3
57.03416	12.0
57.31357	9.9
67.05492	84.3
68.33900	10.8
69.03419	32.9
69.07051	15.4
70.62093	9.9
74.00430	9.4
77.82310	10.7
79.05485	48.4
81.03426	22.6
81.07040	100.0
81.84769	13.3
83.08620	18.2
84.08127	24.7
85.02887	12.9
85.30878	11.3
90.34759	10.5
91.05479	51.9
93.07047	83.0
95.04977	22.6
95.08588	41.1
97.02904	17.6
105.07031	51.0
107.08596	24.6
109.10137	24.4
114.40363	12.0
115.05411	16.6
117.07021	21.1
119.08587	26.1
121.10132	27.5
131.08548	24.7
133.10127	30.4
135.11687	22.2
145.10146	18.4
147.11690	16.3
159.11707	27.6
161.09514	13.1
163.11249	14.2
204.30132	12.2
207.16347	13.5
215.18054	21.9
219.08456	12.4
256.56085	13.3
257.43509	15.4
270.22037	15.4
275.20328	12.9
338.53238	14.1
341.21304	13.2
359.22202	18.9
403.25500	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58452	9.2
53.03938	14.6
55.05494	33.9
56.78302	11.3
57.03416	12.0
57.31357	9.9
67.05492	84.3
68.33900	10.8
69.03419	32.9
69.07051	15.4
70.62093	9.9
74.00430	9.4
77.82310	10.7
79.05485	48.4
81.03426	22.6
81.07040	100.0
81.84769	13.3
83.08620	18.2
84.08127	24.7
85.02887	12.9
85.30878	11.3
90.34759	10.5
91.05479	51.9
93.07047	83.0
95.04977	22.6
95.08588	41.1
97.02904	17.6
105.07031	51.0
107.08596	24.6
109.10137	24.4
114.40363	12.0
115.05411	16.6
117.07021	21.1
119.08587	26.1
121.10132	27.5
131.08548	24.7
133.10127	30.4
135.11687	22.2
145.10146	18.4
147.11690	16.3
159.11707	27.6
161.09514	13.1
163.11249	14.2
204.30132	12.2
207.16347	13.5
215.18054	21.9
219.08456	12.4
256.56085	13.3
257.43509	15.4
270.22037	15.4
275.20328	12.9
338.53238	14.1
341.21304	13.2
359.22202	18.9
403.25500	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23228	3.6
53.03954	9.5
54.16006	4.5
54.35835	4.3
55.01871	11.2
55.05294	4.4
55.05503	27.3
57.03432	6.1
57.07047	5.3
58.52059	3.4
63.39545	3.9
67.05492	61.3
67.05791	5.5
69.03414	27.1
69.07076	9.2
71.05000	8.8
79.05484	95.8
79.05923	5.8
81.03381	28.8
81.07047	58.6
81.07475	5.7
81.66204	5.0
83.04971	4.9
83.08610	12.5
85.02914	7.7
86.37508	4.5
88.24308	5.3
91.05481	36.5
93.07035	100.0
93.07563	7.3
95.04990	15.6
95.08607	36.2
97.02893	68.6
97.06561	6.9
99.04446	41.2
105.07023	26.7
107.08590	27.5
109.02893	17.1
109.10184	17.8
117.06997	11.5
119.08581	30.3
121.10133	93.1
125.09641	5.7
127.03912	33.8
131.08591	12.5
133.10110	27.4
135.11708	17.7
145.10164	18.0
147.11696	15.7
149.13216	9.6
153.18636	5.2
159.11702	12.2
171.82124	5.1
173.13344	5.7
188.67769	4.9
215.17973	6.4
231.17500	6.9
233.19043	12.2
349.56866	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	395.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09410	11.2
55.01863	17.4
55.05490	27.4
57.03424	17.5
67.05496	97.3
69.03416	36.0
69.07063	33.5
71.04972	15.1
79.05484	59.1
81.03404	65.3
81.07056	92.5
83.08602	24.7
85.02887	27.8
87.92146	10.8
91.05482	83.1
91.75343	11.4
93.07030	100.0
93.93530	12.8
95.04985	25.3
95.08588	56.2
105.07034	70.6
107.04942	17.9
107.08566	35.5
109.10170	25.9
112.62775	12.5
117.07051	38.0
119.08591	47.8
121.10133	27.2
129.07010	21.1
131.08548	55.5
131.91246	13.8
133.10126	52.1
133.11017	11.6
135.08043	13.9
135.11694	29.4
141.06947	13.8
143.08586	20.6
145.10123	38.8
147.11694	34.0
149.13261	14.7
155.08563	13.9
157.10104	27.5
159.11655	29.5
161.09613	16.6
161.13257	15.3
169.10194	15.6
171.11717	21.8
185.13167	17.8
216.44800	12.8
216.54890	12.8
220.99193	12.0
236.57941	12.8
275.20123	18.5
341.21027	16.6
358.23825	13.3
377.23154	17.0
395.24356	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53103	3.6
53.03941	4.7
55.05258	5.2
55.05507	64.7
57.07054	22.4
60.49240	4.4
60.62599	4.1
63.80859	4.3
67.05502	48.9
69.07062	100.0
71.08611	8.1
79.05479	10.2
81.03426	9.3
81.07052	45.2
83.04958	10.5
83.08605	45.1
83.28488	5.0
91.05480	48.2
93.07034	20.7
95.01305	39.8
95.04955	16.6
95.08593	50.6
97.10150	33.3
105.07026	41.2
107.08588	13.5
109.06537	6.2
109.10151	19.8
111.04438	24.9
111.11743	6.3
117.07042	6.6
119.08571	62.2
121.10159	13.7
123.04429	29.3
131.08592	15.1
133.10104	42.3
137.05981	8.2
143.08511	7.5
145.10170	12.3
147.08044	10.6
147.11720	30.9
151.07526	10.9
159.11664	6.8
161.13252	18.9
165.09134	22.2
173.13225	8.2
175.14803	9.6
176.03889	5.7
179.10670	9.4
187.03659	26.3
187.14748	7.9
193.12292	12.5
207.13773	13.5
217.19617	8.1
235.16991	14.5
249.18668	9.4
249.40833	5.2
263.19980	10.6
277.21701	10.1
284.42853	5.4
289.21487	9.3
321.39319	5.7
335.79623	5.6
359.29483	6.3
377.30429	24.9
395.21918	50.2
402.29123	6.1
413.12564	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	396.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03697	0.8
56.05032	3.0
60.04532	1.9
61.59739	0.9
69.07066	2.3
70.06599	1.8
71.16653	1.3
72.08148	7.7
72.93235	1.1
74.06089	4.7
81.07070	1.4
84.04501	13.1
86.09702	19.8
88.03990	1.7
91.05466	6.4
93.07045	1.9
102.05537	11.8
103.05507	4.6
112.18449	1.1
117.07045	2.2
119.04984	2.1
120.06641	8.0
120.08100	100.0
130.05038	2.8
135.08040	1.2
136.07578	23.1
136.08534	1.8
140.07120	1.7
149.26726	1.1
163.07626	2.5
166.08821	1.5
186.09221	3.1
187.10884	5.0
213.08783	2.9
216.94572	1.6
231.09888	3.5
238.84312	1.1
249.12399	18.8
249.15982	5.9
265.11874	1.4
277.11816	14.4
277.15167	1.9
369.42273	1.4
378.16708	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	396.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20026	4.7
55.05499	7.2
57.03422	5.2
57.07053	4.8
59.04991	5.5
60.04515	8.7
67.05481	7.4
69.03416	5.7
70.02923	5.7
71.08654	6.1
72.04514	9.8
79.05479	13.5
81.07027	23.8
83.08617	6.5
85.02887	14.7
90.05534	86.3
91.05473	9.1
93.07050	32.6
93.07588	4.8
98.02385	8.3
99.05049	5.0
99.08086	11.6
107.08583	22.9
109.06495	17.9
111.08070	11.3
116.03439	13.7
117.07022	6.4
125.09622	15.0
135.08047	30.0
137.06009	6.5
138.09131	19.8
153.09100	66.7
155.07027	9.5
171.10101	31.1
181.08646	15.0
193.91969	5.8
198.11269	22.7
199.09651	41.3
216.12276	18.8
217.10663	51.9
234.13341	100.0
240.73541	6.1
252.44185	7.1
288.98962	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	396.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07060	50.5
60.76594	27.8
63.01460	24.7
67.05484	48.2
73.41548	26.5
74.88370	26.5
75.49516	25.2
79.05466	32.4
81.07069	42.2
82.22560	29.3
93.07021	42.3
107.08580	43.0
143.08623	28.7
145.22064	27.4
191.29887	32.3
200.21930	32.9
288.77420	33.9
343.15317	53.0
361.16440	100.0
379.17545	83.3
396.31009	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50174	10.5
57.07058	20.1
59.25618	10.4
60.51870	12.4
62.72337	12.0
67.05482	21.1
69.03414	41.1
70.98798	11.9
81.03413	25.3
81.07055	21.7
85.02900	100.0
86.43451	13.6
87.00823	35.3
91.05431	18.4
93.07027	27.0
95.08591	18.1
97.02881	78.5
99.04433	27.1
105.01860	46.9
105.07032	23.7
107.08595	29.3
109.02892	30.6
119.08630	15.4
123.51431	12.9
127.03909	65.2
133.06483	48.0
145.04973	47.6
147.08018	20.5
169.08661	20.2
175.04330	13.6
179.07072	45.3
181.08626	48.4
201.79823	12.1
213.09113	46.9
231.05128	16.7
231.10275	16.0
253.15907	16.6
259.09732	18.1
268.00443	14.2
279.13489	15.1
297.14755	53.3
315.15884	38.8
325.14438	20.0
343.15320	44.0
361.16284	42.6
379.17447	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28629	13.3
55.19628	14.2
57.07076	38.3
64.60457	13.7
67.05492	23.8
69.03411	93.7
69.07083	19.2
73.22094	14.5
81.03413	48.8
81.07063	35.3
83.01340	17.0
85.02888	88.2
87.00841	28.2
91.05499	32.6
91.11291	17.4
92.94218	15.6
93.07050	34.0
97.02866	80.6
99.04445	23.6
105.01878	54.5
107.08593	29.4
109.02869	31.5
121.06533	30.1
127.03916	100.0
130.89067	16.9
133.06534	45.2
133.10109	21.5
135.08104	31.7
145.04980	32.3
145.99556	15.2
147.08028	39.8
147.47069	16.6
149.13881	18.1
149.36836	17.5
167.38286	14.7
175.07501	22.5
179.07053	40.0
181.08592	21.6
185.09668	18.2
195.08119	17.3
195.22533	16.2
213.09131	51.1
223.52484	20.4
231.05121	22.5
259.09665	31.3
269.15445	23.2
283.05075	17.6
287.16211	21.1
297.14777	42.7
315.15881	47.1
318.07468	18.7
325.14542	30.1
343.15402	52.6
361.16473	60.5
376.62863	18.7
396.27643	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	396.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05355	4.2
55.05529	6.8
57.07079	6.3
59.86312	5.8
67.05502	6.1
79.05502	8.6
81.03443	5.6
81.07066	10.7
83.04994	13.9
90.47573	5.6
91.05509	16.1
93.07062	12.0
94.75315	5.1
95.08642	19.8
103.42517	5.3
105.07020	13.3
107.08596	9.7
109.06491	7.4
111.04483	7.6
117.07076	10.0
119.08596	11.6
121.06487	7.1
121.10174	7.3
123.08115	21.1
123.61768	5.4
131.08597	8.5
133.06496	9.6
135.08107	17.3
141.09114	6.8
143.08623	7.6
145.10158	36.6
147.08090	7.9
149.09671	8.4
157.10138	11.7
159.08199	6.3
159.11673	10.3
161.09656	10.4
169.08688	45.5
169.10052	11.2
171.08098	6.3
177.09225	10.0
177.12834	16.7
179.07155	6.5
185.09683	10.8
199.11183	6.2
223.11290	9.5
223.14969	9.2
230.29024	6.3
241.16302	5.9
251.14317	11.4
269.15427	13.7
271.16940	27.5
271.19983	5.9
287.16476	13.1
297.14905	8.4
300.85718	6.3
315.16064	24.9
317.17255	6.5
333.16989	100.0
343.15460	10.0
361.16452	19.4
379.17514	36.6
417.11572	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	396.213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	3.3
57.94356	0.6
67.05502	1.1
70.06590	1.6
81.07037	0.9
82.56470	0.8
84.08135	100.0
86.09690	3.6
95.18087	0.8
102.55383	0.7
136.03908	1.9
164.03429	2.1
171.10173	0.9
192.06613	3.0
202.08633	1.5
219.11156	1.2
220.09683	30.3
232.85909	0.8
237.12366	2.0
243.16975	1.6
244.37901	0.7
247.10803	3.6
265.11826	6.0
283.12924	2.8
304.59674	0.8
378.20285	2.8
379.18839	1.7
396.21274	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51843	13.0
55.93506	19.9
67.05445	16.0
69.07085	17.2
72.93770	46.2
78.65659	16.8
80.96348	14.5
89.33955	15.7
89.96435	19.7
91.05469	67.8
92.66969	18.6
100.20306	14.6
101.83168	14.1
113.96381	94.2
122.00142	16.3
154.99055	81.4
165.12730	20.2
172.00581	32.6
260.45087	18.2
347.05066	20.7
349.10272	19.7
354.20926	100.0
395.23532	67.9
396.22000	83.3
396.28882	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	396.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01862	5.9
57.03425	4.5
61.02910	5.2
65.36189	1.3
69.03424	36.0
71.04980	4.5
71.08635	1.1
73.02907	4.1
80.10365	1.6
81.03409	23.3
85.02897	100.0
87.00824	32.0
97.02885	31.5
97.03484	2.4
98.06049	2.0
99.04452	10.5
105.01859	65.4
108.04505	3.1
109.02873	28.5
115.03992	1.4
117.01865	2.6
127.03915	57.2
129.01828	2.3
145.04965	27.7
146.04472	2.5
159.02847	9.3
170.67438	1.4
171.84834	1.6
189.03880	2.2
213.03906	2.3
231.04996	19.2
249.06184	3.5
262.22684	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	37.3
63.64078	5.1
71.08627	41.1
85.10168	27.4
89.06024	100.0
111.99075	5.1
130.08635	25.9
133.08572	47.8
137.10910	5.9
149.60175	5.2
177.11295	7.7
190.46260	5.4
229.21782	7.5
239.14929	18.7
252.45920	5.8
309.68839	6.1
379.30634	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	397.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28877	2.0
55.05496	2.7
55.43069	2.2
57.07059	2.6
71.68201	2.2
72.80075	2.1
77.76472	2.2
78.26054	2.1
81.07037	7.1
83.01325	2.3
85.02879	2.9
91.05453	4.7
92.60476	2.3
95.04947	2.4
95.08578	8.4
95.46817	2.5
105.07016	5.2
107.04958	3.5
109.10163	4.8
117.06972	2.8
119.08563	10.5
121.06484	6.9
123.08080	3.1
131.08476	3.2
133.10110	9.3
135.08043	5.7
137.05981	3.8
145.10001	4.3
147.08018	19.5
161.09576	20.8
175.11307	3.0
175.14932	2.9
189.16425	6.6
202.06003	12.4
217.15849	8.9
235.16893	31.4
277.14249	3.6
379.13919	14.4
397.12512	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28877	2.0
55.05496	2.7
55.43069	2.2
57.07059	2.6
71.68201	2.2
72.80075	2.1
77.76472	2.2
78.26054	2.1
81.07037	7.1
83.01325	2.3
85.02879	2.9
91.05453	4.7
92.60476	2.3
95.04947	2.4
95.08578	8.4
95.46817	2.5
105.07016	5.2
107.04958	3.5
109.10163	4.8
117.06972	2.8
119.08563	10.5
121.06484	6.9
123.08080	3.1
131.08476	3.2
133.10110	9.3
135.08043	5.7
137.05981	3.8
145.10001	4.3
147.08018	19.5
161.09576	20.8
175.11307	3.0
175.14932	2.9
189.16425	6.6
202.06003	12.4
217.15849	8.9
235.16893	31.4
277.14249	3.6
379.13919	14.4
397.12512	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13244	3.6
52.63993	3.3
56.25551	3.8
57.07056	4.6
58.48659	4.0
64.58009	3.9
81.07022	4.3
84.64590	4.6
85.02870	4.1
85.04591	4.2
85.18569	4.3
108.13573	4.7
133.41222	4.5
154.73074	4.7
193.83861	4.8
202.05997	56.5
243.08574	6.1
277.81476	6.1
350.51895	5.1
355.17181	9.5
356.17450	13.4
397.12521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99495	1.9
54.22095	2.3
55.01858	6.0
57.07069	29.6
60.04499	2.5
67.05511	2.4
69.03427	2.0
75.51382	1.9
79.05485	10.6
81.07038	6.0
81.84181	2.3
85.06533	15.0
91.05463	10.5
93.07050	3.9
94.04181	2.9
95.04954	9.8
103.05472	8.0
105.03391	3.0
107.04966	3.6
109.06506	5.5
115.05537	3.3
117.06959	2.7
119.04960	6.0
122.03646	5.8
128.06219	4.2
131.04971	4.0
135.04416	85.1
137.05978	81.3
151.03906	3.8
151.07541	8.7
153.05518	6.4
155.04944	6.0
159.04398	30.4
159.08032	3.3
160.07785	2.6
161.05984	5.6
163.03929	5.9
163.07506	5.0
165.06987	3.1
171.08067	2.7
172.05171	3.2
172.08852	2.7
177.05504	3.4
187.07549	5.5
189.07080	5.4
189.09100	5.0
190.07793	10.9
191.08545	9.0
199.07600	5.1
201.07024	4.8
202.07779	6.7
205.06602	4.4
215.07030	10.5
218.07208	15.9
219.07974	17.3
220.08765	4.5
220.64720	2.8
221.05966	4.0
229.06410	12.7
230.07175	5.5
231.08020	4.9
235.07561	5.9
236.08437	4.8
246.06728	19.0
247.07498	19.1
248.08347	6.2
249.09039	3.5
257.06058	15.3
258.06720	4.7
259.07593	9.5
261.09064	46.1
263.07196	4.3
264.07773	6.3
273.11234	4.6
274.06158	6.8
275.07074	10.1
276.07874	11.3
277.08679	6.3
279.10162	7.6
287.06897	13.9
288.07843	11.5
289.08566	30.7
293.07977	4.0
295.13242	5.4
304.07321	8.0
307.09628	15.6
313.14142	3.6
319.05777	5.6
319.09613	100.0
320.10379	3.3
337.10806	9.9
379.18839	4.3
397.15881	6.1
397.20175	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	397.1469
Annotation	KADETHRIN
Peak:m/z	Relative Intensity
57.12821	2.7
57.40223	2.2
66.95146	2.4
67.05491	3.8
93.50208	2.7
147.38654	3.5
154.71642	3.3
243.04738	5.2
287.03674	12.7
307.56760	3.4
353.15643	20.6
388.08936	3.5
390.97662	3.5
397.14670	100.0
416.49503	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	11.2
59.07395	5.3
60.08153	16.1
68.05025	5.1
70.06606	4.3
73.93899	2.2
84.04561	2.4
89.67525	2.1
93.05774	2.4
94.06580	12.1
97.01096	3.6
97.98503	2.5
100.02219	2.9
101.30064	2.3
107.04999	4.1
107.06071	15.5
110.07185	4.2
113.10757	27.9
113.11364	2.4
124.07599	28.0
125.01736	6.9
126.02499	8.1
127.03246	25.2
136.06244	6.0
136.07626	8.0
138.05539	11.4
168.06596	5.6
170.02737	9.7
175.08702	2.4
179.61952	2.6
184.09019	100.0
185.09793	26.5
186.10570	51.4
191.06448	5.3
209.07497	6.1
220.09180	3.3
230.09398	7.0
235.05452	3.7
308.06552	2.9
309.17435	44.5
353.16519	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	397.1645
Annotation	Predurallone
Peak:m/z	Relative Intensity
50.81582	13.0
56.96555	19.0
57.07064	31.6
57.20767	13.3
62.15983	13.0
62.40650	13.8
77.47652	14.6
88.50921	16.7
91.05488	16.1
91.11336	15.9
98.86109	15.0
112.08961	15.2
124.15501	15.7
137.05951	100.0
141.05855	17.4
167.03329	36.4
187.23189	20.6
247.76599	19.7
248.29547	18.8
397.16397	74.9
402.91605	22.0
418.98068	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1644
Annotation	Predurallone
Peak:m/z	Relative Intensity
57.07051	13.0
74.88377	8.1
91.05429	12.8
105.06990	9.1
122.03630	12.5
124.68250	9.7
137.05966	100.0
160.74007	9.8
161.09703	9.0
184.11819	8.6
305.11795	9.7
317.11932	10.4
397.16299	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	397.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05478	37.9
67.99689	12.4
68.63544	12.2
69.03397	18.5
72.79315	13.7
79.38504	13.2
81.07039	16.2
85.02878	19.6
85.99294	13.4
91.05469	27.6
94.61694	13.2
95.08649	19.8
103.05537	18.0
103.30232	15.9
114.18634	15.0
137.05931	100.0
199.07567	22.5
234.26649	16.3
258.91940	17.2
259.78500	21.5
273.11197	30.3
307.09283	19.9
354.14584	25.5
356.61792	19.6
397.16635	70.1
397.21835	24.2
422.16965	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1645
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
53.35064	3.5
53.69526	3.7
55.05506	4.2
56.77303	3.5
57.01395	3.5
57.07066	5.3
58.14863	3.8
58.71557	3.5
69.03418	8.6
72.14588	4.0
81.03407	4.2
83.04990	5.5
84.08178	4.3
85.02921	21.8
85.06553	21.4
91.05490	10.9
91.70950	5.0
94.04162	5.3
105.07073	11.3
107.05001	4.7
119.08613	8.7
122.03721	7.8
128.06215	4.4
129.07071	7.4
131.04973	5.9
131.08592	9.8
137.05969	100.0
146.07292	5.7
149.06013	4.5
151.07599	15.6
151.11230	10.6
155.25201	5.1
161.06021	15.2
161.09645	17.3
173.36012	4.7
175.07565	6.6
175.11189	6.0
182.07275	11.4
185.09650	10.7
189.09131	4.8
191.07091	9.0
197.09688	10.5
198.06863	17.6
199.07620	10.1
213.09190	20.8
217.15952	17.8
219.37456	5.0
225.09178	15.8
235.17027	20.7
243.10275	16.1
257.09732	6.5
261.09421	5.9
273.08807	8.9
273.11304	45.6
275.11194	5.4
292.30576	5.4
301.08279	5.8
307.09930	14.5
308.10513	9.1
319.09482	5.2
321.11441	5.8
333.11310	6.5
351.12372	13.6
354.14685	18.0
379.15366	14.5
397.16544	75.2
397.22296	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	397.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	19.5
64.36745	5.0
66.82150	5.4
69.03422	9.8
81.07047	6.7
85.02900	24.2
91.05466	11.6
91.70946	6.5
93.07026	9.5
95.08644	5.8
105.07051	17.2
107.08579	18.5
109.06559	6.2
111.08116	10.7
119.08573	12.5
121.01171	5.5
125.09618	8.1
131.08615	7.3
133.10133	16.6
136.90393	5.7
137.05980	46.1
151.07597	6.0
151.11218	13.7
157.10161	7.6
161.09644	8.4
185.09561	11.7
191.14330	20.2
213.09198	17.3
213.45416	6.5
217.15933	13.1
225.08966	7.1
231.10184	6.9
235.16913	100.0
273.11261	26.5
335.99548	7.5
354.14331	8.7
397.16849	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	397.1647
Annotation	Predurallone
Peak:m/z	Relative Intensity
53.00914	4.0
57.07054	9.3
67.05481	5.1
69.07063	6.4
79.05477	4.6
79.86156	5.2
85.02911	8.0
91.05479	16.3
104.73550	5.1
105.07021	9.7
107.04949	6.5
111.81618	4.8
119.08606	7.0
122.03587	6.7
128.06197	9.9
129.06987	9.5
131.08566	7.2
133.10123	16.5
136.87819	5.7
137.05977	98.9
149.05954	8.7
149.24194	5.7
151.07549	10.8
157.06563	5.8
161.05992	13.1
161.09610	24.9
171.08131	8.5
189.16420	16.7
197.09590	7.5
198.06647	11.3
199.07500	14.4
213.09123	27.2
215.10576	9.5
217.15865	19.8
225.09262	10.3
235.16908	59.0
236.19032	5.4
243.10182	15.1
245.09586	7.8
273.11224	66.5
275.10794	6.5
293.11890	7.5
294.56219	5.8
307.09644	10.1
321.11075	7.3
334.11484	6.3
354.14529	9.5
397.16528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1645
Annotation	Predurallone
Peak:m/z	Relative Intensity
57.34071	2.9
61.10746	2.8
91.05500	4.5
102.25893	3.3
105.07041	3.9
121.06535	7.8
122.03687	4.2
127.24490	3.2
128.06198	6.0
128.07832	3.5
129.07008	5.0
137.05972	74.5
141.07265	4.5
143.08588	4.2
155.08603	9.9
161.05969	5.6
171.07941	4.7
189.05536	3.7
196.66856	3.6
201.09123	5.0
216.09183	4.1
217.10216	5.7
229.10080	4.7
231.08174	4.4
235.07787	4.3
235.16721	3.3
245.09636	4.3
246.10379	4.8
257.09546	5.9
257.91910	3.7
275.10629	5.1
277.12201	8.1
285.09082	7.5
305.11801	5.5
308.29706	3.8
317.11737	6.1
352.24130	4.2
361.14343	4.0
367.15433	9.0
379.15561	9.9
386.92758	4.5
397.16412	100.0
398.17352	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	397.1842
Annotation	14,15beta-Dihydroxyklaineanone
Peak:m/z	Relative Intensity
51.67527	2.6
51.97461	2.5
52.37202	2.8
54.48022	2.9
57.07058	9.1
60.95993	2.8
67.05508	3.6
69.03416	9.8
69.07051	11.2
74.05115	3.1
81.07042	7.2
91.05463	5.3
93.07037	9.9
95.08559	4.5
105.07015	6.0
107.08556	4.6
109.10193	5.6
119.08608	4.0
121.10114	4.1
133.06412	4.7
133.10101	9.8
137.06009	5.6
146.03093	3.4
147.08032	5.4
185.09682	4.0
333.17029	14.1
348.56555	4.2
351.17825	6.4
361.16385	5.6
384.62357	4.1
397.18283	100.0
403.89969	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	397.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73302	3.9
57.07072	44.4
63.52250	3.8
65.62833	4.5
70.06591	9.8
72.08134	23.6
82.06628	4.8
86.51453	4.1
86.53419	4.4
108.04485	8.5
126.15260	4.5
141.45972	5.8
145.37029	5.4
163.14886	4.6
179.17345	6.4
235.09406	53.4
279.09857	14.9
308.11166	6.5
379.19354	5.7
380.16983	16.0
397.14658	22.3
397.19678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08175	1.9
53.09358	2.4
55.89498	2.3
57.07068	40.4
61.75518	2.1
70.06583	42.3
72.08144	35.5
72.08529	2.8
82.11578	2.2
84.08138	8.3
85.02909	3.6
85.88197	2.1
91.71656	4.6
95.08634	2.5
103.75831	2.3
118.06551	3.0
120.08098	3.1
130.47647	2.5
130.48668	2.4
136.07657	2.5
151.08728	3.7
152.09486	8.0
205.09789	3.5
206.08195	5.4
224.09193	8.6
231.76466	2.9
232.09839	2.6
246.99728	3.0
252.75652	3.2
292.19272	6.1
318.17007	4.1
336.18152	4.0
379.18561	3.3
380.17068	10.8
397.19711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08678	2.7
57.07072	39.7
75.98032	2.7
81.07058	3.3
85.06535	19.0
91.05484	13.3
95.04995	5.4
96.54594	3.1
105.07085	3.7
117.03392	3.0
118.90543	2.7
118.99059	3.2
119.04947	8.1
122.03641	6.8
132.43073	3.2
136.03609	2.9
137.05974	100.0
143.08607	4.2
146.32095	3.3
151.07570	14.4
165.07184	3.0
171.08102	5.2
189.09100	4.6
199.07643	4.5
201.09029	3.3
273.14752	4.0
295.13373	9.1
297.11118	5.8
379.19083	4.6
397.15671	4.2
397.20111	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	397.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	47.3
64.67241	2.1
70.86087	2.3
79.05460	3.6
81.07065	4.3
85.06535	19.0
91.05469	10.0
93.06965	2.6
109.06496	3.9
119.04955	5.3
122.03657	8.8
122.99111	2.5
128.06190	3.0
137.05972	100.0
143.08556	4.9
151.07513	16.5
171.08029	5.1
187.07584	6.1
189.09186	4.0
199.07477	6.7
217.10281	2.7
229.08611	4.3
236.82614	2.8
261.14731	2.6
267.13861	4.0
272.10800	2.9
273.14847	4.8
290.09665	3.0
295.13312	9.7
297.11215	5.3
313.14639	2.9
379.19019	3.5
397.20319	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	397.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	5.8
53.01252	3.3
56.62595	3.5
57.07072	43.7
63.25785	4.1
81.07040	5.3
85.06541	19.8
91.05463	4.7
91.71735	6.7
94.04179	5.5
103.34049	4.3
117.31409	4.0
121.06527	4.9
122.03592	4.6
137.05977	100.0
151.07565	17.4
174.28813	4.7
175.07574	6.3
189.09122	5.0
199.07513	7.4
273.14944	8.0
295.13065	7.6
297.11142	6.0
311.61017	5.0
312.53647	5.3
397.20038	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	397.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	51.8
57.36557	3.4
59.40350	4.2
71.63300	4.2
83.02671	4.4
85.06526	22.1
91.05494	13.5
109.06515	6.3
119.04956	8.3
137.05966	100.0
145.06450	8.3
149.05995	5.2
151.07553	16.9
152.48380	4.3
159.08136	4.8
179.03447	8.6
181.23506	4.8
187.07573	7.0
199.07625	5.7
230.08878	5.2
230.13113	6.3
295.13235	11.5
295.97125	4.7
297.11108	6.1
397.20096	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2011
Annotation	Scilliglaucosidone
Peak:m/z	Relative Intensity
55.51482	3.0
57.07070	32.8
58.43878	2.7
63.74674	3.1
75.62910	3.3
78.50288	3.0
79.05492	3.5
80.01218	3.1
85.06549	9.9
91.05472	11.5
94.04167	3.4
95.04971	7.5
109.06516	4.1
119.04983	3.5
122.03629	7.7
134.98795	3.5
137.05975	100.0
150.19373	3.5
151.07555	6.7
163.11168	4.7
295.13431	9.3
307.57190	4.7
347.63138	4.6
361.17651	4.5
379.19052	20.4
397.20135	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	397.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33839	1.6
51.97681	1.7
57.07069	35.7
63.84953	2.0
64.72462	1.7
73.99348	2.0
75.47208	1.7
81.07033	5.1
85.06533	20.4
86.78943	2.3
88.13832	1.9
88.37579	2.2
91.05473	12.0
91.71077	2.3
94.04187	2.5
95.04952	3.0
95.39616	1.9
111.56783	2.3
119.04937	4.4
121.06522	4.2
122.03665	7.5
128.06291	2.8
131.08510	2.4
136.74133	2.1
137.05969	100.0
143.08533	2.6
145.06508	3.7
151.07562	15.8
152.45389	2.2
159.08159	2.8
169.30252	2.4
171.08058	4.5
177.05458	3.1
187.07582	3.0
191.08583	2.6
199.07497	4.0
213.54222	2.2
245.09601	2.9
273.14883	3.6
295.13281	9.8
297.11163	4.6
298.05542	2.7
379.19125	5.0
397.20016	8.8
401.89206	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	397.2007
Annotation	Aphyllocladone
Peak:m/z	Relative Intensity
52.76381	1.9
57.06803	2.6
57.07066	39.3
71.29205	1.8
79.05461	4.2
81.07034	6.8
85.06525	18.2
91.05476	9.4
91.70950	2.6
94.04209	3.3
95.04981	3.7
107.04949	5.1
109.06507	3.8
119.04937	5.0
121.06490	3.6
122.03637	9.0
131.41887	2.0
131.72876	2.4
137.05969	100.0
145.06525	2.8
148.93376	2.0
151.07545	14.5
153.05487	2.3
159.08006	3.9
167.05026	2.7
171.07996	3.4
187.07487	4.3
189.09143	4.3
199.07529	5.9
199.76921	2.1
229.08563	2.6
238.62006	2.4
245.89297	2.1
267.13635	2.7
273.14871	6.1
295.13336	12.3
297.11304	4.2
313.14246	3.8
379.19141	5.5
397.20120	21.2
423.52045	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	397.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84310	1.8
57.06805	2.7
57.07067	38.6
68.17803	1.8
69.79936	1.6
69.98241	1.7
78.10648	1.9
83.04993	2.0
85.06535	15.8
91.05463	10.8
94.04193	2.6
95.04962	3.8
103.05483	3.1
109.06530	3.1
117.03374	2.3
119.04933	4.5
121.06495	2.9
122.03638	6.1
129.07071	2.8
137.05971	100.0
145.06522	2.9
151.03951	3.4
151.07513	12.6
163.07520	3.0
175.07574	3.8
177.05411	3.2
182.07248	2.7
187.07552	6.1
187.11031	2.4
189.09076	4.2
195.08070	2.5
199.07607	2.8
225.09036	2.5
229.08321	2.7
261.14777	2.7
273.11371	3.3
273.14990	4.8
295.13339	8.4
297.11179	3.8
302.90912	2.8
313.14609	2.6
379.18964	8.8
397.15613	3.5
397.20416	13.9
417.77048	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	397.2008
Annotation	alpha,4,2'-Trihydroxy-4''-O-geranyldihydrochalcone
Peak:m/z	Relative Intensity
57.07064	30.7
62.79710	3.6
63.50195	2.8
76.21953	3.3
85.06527	12.8
91.05477	11.6
91.71578	4.9
95.04967	6.2
105.06974	4.6
106.25576	3.4
107.04921	4.5
113.07973	3.3
119.04903	3.4
122.03654	5.2
137.05972	100.0
151.07530	10.4
159.84966	3.7
181.06599	3.9
187.07512	4.1
217.08498	5.3
287.62671	4.0
379.19019	18.4
397.20166	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	397.2219
Annotation	Tinocordiside
Peak:m/z	Relative Intensity
52.73993	1.9
55.05499	3.9
57.03411	2.1
57.07051	4.0
61.02918	2.1
63.20739	1.9
66.39726	1.8
67.05488	7.8
68.53396	2.1
69.03416	8.2
69.07042	4.9
71.08615	3.2
79.05471	3.7
81.07050	8.8
83.04984	5.8
85.02885	16.0
85.06523	4.1
86.14601	2.3
91.05463	3.7
91.71100	2.6
93.07037	16.5
94.16272	2.1
95.08575	12.3
97.02891	2.9
105.07018	19.7
107.08566	17.1
109.06489	13.8
109.10152	9.3
119.08591	8.8
121.06491	16.5
121.10167	3.7
123.08013	4.3
131.08604	3.8
133.06502	2.4
133.10129	15.1
135.08047	38.0
135.11710	8.2
142.07764	2.3
143.08572	3.0
145.06407	3.1
145.10056	2.9
146.07231	5.0
147.08041	27.7
147.11711	4.6
151.11211	8.1
157.10152	9.8
159.11685	12.5
160.08812	3.5
161.09598	79.1
175.11166	61.5
175.12660	4.2
175.14767	2.7
177.12778	6.0
199.14697	5.3
205.15889	7.7
217.15852	27.9
220.35175	2.5
235.16911	100.0
259.50510	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	397.222
Annotation	Tinocordiside
Peak:m/z	Relative Intensity
50.71450	2.4
51.73076	2.8
53.29062	3.1
55.05502	11.1
57.07068	4.5
64.82298	2.6
65.60535	2.9
67.05495	8.4
69.03414	7.5
69.07056	21.8
69.11452	3.5
79.05458	4.2
81.03446	4.9
81.07039	8.1
83.08641	4.6
85.02889	35.5
89.33704	3.0
91.05480	9.9
93.07038	5.1
95.04949	5.2
95.08609	6.6
97.02896	8.9
103.05506	4.0
105.07030	10.8
107.04933	26.5
109.06514	5.9
119.08591	10.1
121.06500	38.6
127.03925	6.4
131.05008	3.3
133.06506	10.8
135.08104	11.8
136.20798	2.9
137.05971	49.7
145.04970	4.0
147.08043	24.5
151.07510	63.8
152.73235	3.9
159.11726	4.6
161.09616	39.2
175.11179	12.3
205.15921	14.2
217.15843	48.2
235.16891	100.0
235.20580	3.8
331.38293	3.9
397.16296	8.9
397.21091	6.1
402.20367	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	397.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	7.1
58.38845	6.1
69.03405	10.1
69.07058	19.6
81.07043	8.2
85.02892	22.6
91.05511	7.4
91.71698	7.1
97.02893	8.4
103.91312	6.6
105.07023	10.8
107.04945	23.7
117.78808	6.5
121.06497	22.9
123.08099	6.6
126.88777	7.5
133.06470	13.1
137.05978	30.1
147.08060	24.3
149.94243	6.1
151.07530	49.2
157.10211	7.1
158.59929	6.5
161.09602	20.1
213.09114	8.9
217.15877	29.3
235.16873	100.0
379.18854	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	397.222
Annotation	Tinocordiside
Peak:m/z	Relative Intensity
50.60374	2.3
57.07066	5.9
69.03420	16.8
73.57166	2.8
81.03408	4.6
81.07062	12.0
83.05006	8.5
83.08627	3.4
85.02881	21.6
87.04488	5.1
91.05495	8.4
93.07072	8.2
95.08595	6.4
97.02906	9.2
105.07014	18.5
107.08586	18.5
109.06570	6.3
109.10156	8.2
109.59667	3.4
111.08049	8.0
119.08622	11.0
121.06512	4.0
121.10149	5.4
121.13909	3.0
125.09671	10.0
127.03925	4.9
130.25674	3.5
131.08601	4.9
133.06477	6.5
133.10165	13.2
140.46974	3.4
143.08620	9.8
145.05032	5.0
147.08110	6.4
149.09692	3.8
149.17419	3.5
151.11166	34.7
157.10202	5.1
159.11778	4.0
161.09613	25.0
162.29329	3.8
175.11230	10.8
175.14847	5.6
217.15857	100.0
235.16905	22.1
316.93802	3.8
374.04825	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	397.2221
Annotation	Tinocordiside
Peak:m/z	Relative Intensity
55.05491	7.1
58.38845	6.1
69.03405	10.1
69.07058	19.6
81.07043	8.2
85.02892	22.6
91.05511	7.4
91.71698	7.1
97.02893	8.4
103.91312	6.6
105.07023	10.8
107.04945	23.7
117.78808	6.5
121.06497	22.9
123.08099	6.6
126.88777	7.5
133.06470	13.1
137.05978	30.1
147.08060	24.3
149.94243	6.1
151.07530	49.2
157.10211	7.1
158.59929	6.5
161.09602	20.1
213.09114	8.9
217.15877	29.3
235.16873	100.0
379.18854	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	397.2585
Annotation	Rollicosin
Peak:m/z	Relative Intensity
55.05491	29.3
56.96539	10.7
57.03446	9.7
59.52893	10.5
61.03088	11.0
64.49850	9.5
67.05490	44.2
68.11973	10.8
69.07063	27.7
79.05472	20.9
81.07047	53.1
85.06532	17.0
91.05454	19.7
91.70993	14.7
92.77512	10.8
93.07027	20.1
95.04963	12.0
95.08614	37.0
97.88082	11.4
105.07019	25.3
107.04962	47.4
109.10204	13.9
111.08138	16.4
121.06477	13.4
133.06477	60.2
145.06500	40.5
147.08067	48.4
151.03918	27.1
159.08011	14.7
161.05956	26.7
171.08081	17.2
176.45601	12.4
276.82248	12.3
289.17953	20.3
325.21799	29.0
343.22485	100.0
361.23376	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	397.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
53.88302	3.3
55.05498	8.9
57.07067	10.0
58.51573	4.7
62.79435	4.7
64.20470	3.9
67.05495	100.0
69.07058	7.5
79.05480	40.0
79.31456	5.4
81.07047	96.0
83.08607	7.9
91.05469	29.8
93.07027	68.0
95.04955	8.0
95.08599	63.1
97.10140	5.9
105.07018	22.0
107.08586	44.3
109.10143	32.3
117.07006	15.0
119.03487	6.5
119.08569	15.3
121.10130	34.1
123.11670	12.3
131.08569	21.9
133.10165	13.4
135.11687	30.4
135.35983	4.5
137.13272	8.5
145.10126	16.5
147.11646	12.8
149.13263	19.6
159.11586	11.4
163.14842	6.3
173.13263	16.5
184.68835	4.7
187.14832	11.1
243.21143	19.4
261.22076	84.3
309.35660	5.1
328.49292	5.3
397.25656	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	397.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	23.1
57.07056	17.6
65.03930	5.9
67.05493	100.0
69.03392	8.9
69.07054	29.1
71.04979	15.3
79.05489	48.1
81.07045	78.6
83.04955	10.7
83.08595	7.7
84.41881	7.6
85.06522	15.2
91.05470	53.9
93.07024	64.5
95.04953	20.1
95.08595	51.3
97.06464	9.3
104.32431	7.8
105.07005	37.6
107.04951	27.0
107.08594	33.1
109.10167	20.9
111.08097	11.4
117.06996	15.9
119.08582	27.1
120.45565	7.2
121.06546	7.7
121.10134	46.5
128.06166	10.2
129.07030	16.0
131.08571	29.8
133.06508	29.0
133.10129	20.9
135.08023	9.7
135.11690	36.4
137.06023	50.4
141.06938	9.5
143.08551	14.0
145.06467	24.0
145.10092	22.6
147.08032	31.0
147.11702	9.5
149.13235	14.0
151.03926	18.4
155.08488	13.7
157.06407	9.9
157.10094	14.7
159.11734	14.3
161.05936	12.1
161.09575	10.5
169.10164	8.4
173.09625	7.9
183.11694	10.8
185.09569	17.6
187.11185	14.8
191.10770	7.6
195.07976	9.0
238.88542	7.6
271.17041	8.4
281.45959	8.5
307.20544	10.6
325.21701	46.7
343.22528	65.3
361.23770	27.3
384.28674	8.1
397.16449	32.9
419.10266	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	397.2737
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
50.01540	5.2
55.05505	11.6
57.07051	8.3
57.92559	5.2
58.23316	6.3
59.36669	5.3
67.05491	98.8
69.07053	16.2
73.67695	5.5
77.03918	6.1
79.05481	30.8
81.07047	100.0
83.08597	8.6
86.52142	6.3
91.05463	18.5
93.07047	36.4
95.04929	8.3
95.08593	50.5
96.30313	6.5
105.07014	12.3
107.08598	11.5
109.10152	29.4
117.06963	7.9
121.10128	36.3
123.11717	39.4
129.07048	9.1
133.06476	9.1
135.11678	28.4
137.13254	9.8
147.08026	22.4
151.03899	50.3
161.05951	10.3
171.74878	7.2
173.05977	7.5
177.05424	17.7
190.13165	6.7
191.07013	81.4
194.06870	7.5
199.67998	7.1
217.31949	7.9
260.54803	6.9
362.84827	7.3
379.26480	23.7
397.27325	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	397.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	29.1
57.07059	31.5
62.25004	14.5
67.05478	32.0
69.07037	39.4
70.12297	12.9
71.08655	15.2
79.05502	23.6
81.07050	100.0
83.08573	18.3
91.05443	18.9
91.70952	27.8
93.07041	33.7
95.08601	75.0
95.70288	17.6
105.07046	54.7
107.08603	26.8
109.10145	46.5
109.43531	17.4
119.08520	40.5
121.10138	16.8
133.10106	16.7
135.11679	46.0
147.11693	58.6
161.13272	55.7
206.60703	20.9
348.89200	21.6
397.38330	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72389	3.7
57.07082	15.3
58.12717	3.0
69.03426	10.0
91.71689	3.6
94.83168	3.7
95.08630	6.9
111.74290	3.1
119.04964	4.6
131.04906	4.3
137.05981	5.3
159.08131	4.1
177.05406	4.9
177.09119	5.7
187.07584	24.3
189.09163	4.8
192.01360	4.0
215.07104	9.7
215.41953	4.8
217.08586	6.6
233.08203	13.0
233.15689	4.8
243.13779	7.7
261.14917	12.9
265.10202	4.4
289.14304	11.6
316.17331	4.4
345.13467	11.1
363.14331	100.0
381.15570	9.5
397.00385	4.8
398.18039	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	398.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.9
66.74706	4.3
69.03405	16.6
71.25594	4.8
76.11687	4.6
81.03391	19.6
85.02893	79.1
97.02883	35.1
99.04456	48.7
103.03938	90.5
109.02874	16.7
124.62167	5.6
127.03905	100.0
142.37061	6.4
145.04955	46.8
151.38678	6.4
163.05959	35.5
187.06047	10.6
289.09198	6.6
307.10019	13.2
368.04477	6.2
384.46609	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	398.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75678	6.8
55.05505	12.1
57.07062	14.0
62.37100	6.3
66.06121	6.7
74.03640	6.5
74.71320	7.3
78.50359	6.7
92.91081	7.3
93.07048	8.1
97.10172	16.4
121.10168	13.3
159.08131	8.5
173.09647	10.0
179.07140	11.0
181.06703	10.4
201.09212	13.3
213.09274	9.3
229.08563	12.9
243.10005	8.0
247.09680	16.4
275.09134	13.8
289.10748	12.6
289.14255	14.7
304.87698	9.4
307.15485	15.2
345.17014	31.4
363.17978	100.0
381.19003	60.1
398.21481	24.3
399.20065	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	398.2665
Annotation	phytosphingosine 1-phosphate
Peak:m/z	Relative Intensity
55.05503	10.6
56.05025	14.6
60.04510	8.8
60.31955	3.6
66.83699	4.1
67.05495	34.9
69.07039	19.8
70.06577	18.5
72.91931	4.2
79.59008	4.2
81.07053	30.2
81.68006	4.3
83.08600	11.2
95.08587	32.7
97.10143	6.1
97.62883	4.5
105.13750	4.5
107.08574	5.0
109.10146	11.1
121.10130	4.7
135.10057	4.9
282.27823	57.7
300.28958	100.0
300.32474	6.1
304.39752	4.7
398.26733	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	398.269
Annotation	Merresectine C
Peak:m/z	Relative Intensity
57.07076	4.1
67.05499	7.7
68.05042	3.6
69.03419	3.0
69.07059	5.1
70.06586	25.3
71.04901	2.6
74.35300	2.7
75.00189	2.8
79.05495	6.7
81.07037	14.0
83.08595	3.7
85.84896	2.5
91.05473	8.5
93.07034	18.5
95.08601	7.2
96.08123	5.4
100.07635	8.9
105.07043	17.4
107.08602	11.6
109.10162	4.3
114.05506	6.3
115.05462	3.1
116.07078	8.5
117.07013	4.9
119.08607	15.5
120.08075	6.8
121.10187	6.6
122.09708	6.3
128.07100	6.5
131.08575	11.8
133.10159	11.4
135.08098	4.0
143.08524	5.3
145.10147	10.8
147.11755	3.4
148.11218	5.7
153.55396	4.1
153.98235	3.2
154.08565	3.8
157.10147	6.5
159.11665	4.8
166.68880	3.4
168.10237	22.4
171.11647	3.6
178.08620	7.5
183.11728	4.5
192.10269	4.2
194.11725	18.5
199.14867	4.7
209.13411	3.6
211.14839	4.2
253.16113	3.7
273.99307	3.8
274.44379	3.3
306.20724	5.5
398.26859	100.0
399.16223	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	398.2691
Annotation	3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide
Peak:m/z	Relative Intensity
51.88871	1.9
53.21476	2.1
57.07046	9.5
58.76003	2.2
67.05478	8.7
68.05024	3.1
69.07056	4.9
70.06583	19.0
71.04958	2.7
79.05466	8.5
81.07021	8.0
83.08578	2.9
84.08096	2.4
85.02901	3.5
91.05465	8.0
93.07034	15.4
94.06551	4.4
95.04928	4.7
95.08598	5.2
100.07602	8.7
105.07011	17.3
106.06570	4.4
107.08575	13.1
109.10131	5.1
114.05510	7.1
116.07085	10.1
117.07011	4.2
119.08533	18.7
120.08080	7.7
121.10097	4.2
128.07065	9.4
131.08554	11.3
133.10153	5.7
143.08569	7.2
145.10132	12.5
148.11235	7.2
155.08559	3.1
157.10104	5.8
159.11646	5.7
168.10207	22.7
169.10190	4.6
173.13179	4.8
178.08609	6.9
183.11676	4.8
192.10208	5.5
194.11742	15.7
197.13118	2.9
209.12999	3.0
224.74478	2.4
233.13908	2.8
234.14726	3.4
373.01425	3.1
398.26880	100.0
399.16010	6.9
400.41565	3.3
410.25183	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	398.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46923	7.3
51.33499	7.9
52.00810	7.1
60.04507	8.6
67.05489	9.7
72.03210	7.4
72.68882	8.4
77.00891	12.8
80.52185	9.7
81.07001	7.2
82.94570	7.8
95.01924	12.4
100.02526	10.6
106.36296	7.9
169.55803	9.2
272.22220	26.1
311.31693	10.9
326.25024	15.4
336.23749	34.3
338.25577	36.3
343.26047	11.0
349.26898	23.4
356.26480	31.6
361.27231	11.4
379.28046	83.8
398.27533	100.0
398.32333	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	398.3417
Annotation	Iso-shinonomenine
Peak:m/z	Relative Intensity
60.79783	2.1
61.94778	2.5
67.05478	2.7
78.14994	2.5
81.07024	3.2
96.11786	2.9
100.25299	2.4
146.09578	2.9
161.11798	2.6
172.11296	3.1
173.11899	2.9
174.09128	23.5
175.09941	15.0
188.10721	10.3
270.77609	3.3
291.79996	2.6
398.34137	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87435	1.1
55.05488	2.1
67.05490	1.5
69.07058	1.5
69.99178	1.6
81.07041	2.4
83.62650	1.4
94.61761	1.2
146.09622	4.1
149.02278	2.5
160.11186	3.8
172.11217	3.1
174.09138	21.7
175.09918	14.3
178.57259	1.5
186.09607	1.4
188.10681	14.0
217.26952	1.6
258.18570	1.7
268.72073	1.4
380.33093	1.8
398.34158	100.0
399.34674	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	399.105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	6.4
83.83335	5.3
91.71690	5.0
155.09082	5.6
156.28848	5.4
156.84445	5.8
201.05330	5.6
219.13850	5.9
228.05966	6.0
243.77097	6.0
245.07242	5.6
263.15616	5.4
287.43738	6.9
399.05203	8.3
399.10400	100.0
399.18253	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	399.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14960	9.2
91.71614	11.6
92.34324	9.3
96.05613	9.5
137.06027	12.1
150.38455	9.6
156.87479	11.3
229.12329	11.7
388.48969	12.2
399.13895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1414
Annotation	D 4476
Peak:m/z	Relative Intensity
50.09249	1.9
58.40485	1.6
67.76783	1.7
67.77572	1.7
76.73988	2.0
132.72058	2.0
136.17888	2.1
161.25388	2.0
222.02783	2.2
290.48434	2.6
399.14127	100.0
400.14948	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64566	2.4
69.03408	2.8
70.06580	8.1
74.84256	2.7
80.37582	2.8
86.09705	6.2
139.09201	2.7
187.42487	3.0
188.67972	3.2
202.06018	8.8
202.26666	3.0
229.15594	3.5
367.29517	3.5
399.14084	100.0
399.19092	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	399.1437
Annotation	Dulxanthone E
Peak:m/z	Relative Intensity
51.08870	4.2
54.69348	4.6
55.05508	16.9
57.07073	22.3
67.05506	16.9
69.03426	8.7
79.05509	17.3
81.03416	16.4
81.07063	12.6
83.05003	15.5
83.08624	6.0
85.06571	8.7
85.68243	5.1
86.15067	5.1
91.05470	39.1
93.07051	13.0
95.04991	17.0
97.02876	36.9
103.05493	7.4
105.07016	74.9
106.30743	6.6
107.04919	10.0
107.08579	41.7
109.10201	11.4
109.35084	7.0
111.04461	30.8
117.07039	10.8
119.08553	36.8
121.06499	6.8
122.03658	9.1
128.06238	5.9
129.07048	10.4
130.77112	6.0
131.04959	7.9
131.08630	7.1
133.06456	32.7
134.07309	8.4
135.08109	11.1
137.02409	17.6
137.05974	100.0
143.08589	14.1
145.06488	6.3
147.08044	39.1
153.05647	7.6
161.05954	7.0
171.11781	17.7
199.11281	24.1
217.12363	15.7
245.11623	33.6
280.22141	6.5
318.78183	6.4
323.16797	8.6
341.17798	11.9
381.20612	61.3
399.14108	76.4
424.80853	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	399.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	7.9
55.05489	3.5
57.07061	5.3
63.63803	3.0
63.98905	2.8
71.36423	2.9
79.05470	3.4
80.51549	3.2
81.07078	2.8
83.95372	3.1
90.00270	3.1
91.05460	4.5
94.04163	8.7
95.04963	3.9
103.05473	5.6
105.07016	7.5
115.05432	4.4
117.03392	3.3
122.03656	11.4
131.04924	7.1
137.05974	100.0
139.74918	3.2
146.03659	5.7
155.04942	6.5
161.06018	19.1
162.06679	3.6
165.05550	3.6
165.06920	4.4
176.88361	3.6
179.08562	3.6
181.08331	3.7
183.04462	3.9
186.25470	4.1
187.07524	6.0
189.07022	9.1
190.07687	7.8
191.08542	14.6
200.80627	3.5
207.08075	6.0
208.08878	6.4
215.06967	6.9
218.07210	21.3
219.08005	24.7
221.05968	5.6
229.06566	10.4
233.09694	6.6
234.06827	5.0
235.07553	12.9
236.08353	8.2
245.06024	5.6
246.06810	15.6
247.07487	23.7
248.08186	5.4
249.05539	4.6
252.08185	3.9
257.06070	10.7
259.07495	6.9
261.09158	28.8
263.07010	13.2
264.07758	13.2
274.06238	17.9
275.07019	12.6
277.08542	4.3
278.09299	8.7
279.07159	4.7
279.10129	8.7
279.54263	4.1
289.08533	49.6
290.09344	11.1
292.07327	5.3
293.11621	5.5
295.09573	4.3
306.08878	12.7
307.09598	52.2
318.68909	3.7
321.11166	89.8
339.12311	10.9
381.20712	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	399.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08870	4.2
54.69348	4.6
55.05508	16.9
57.07073	22.3
67.05506	16.9
69.03426	8.7
79.05509	17.3
81.03416	16.4
81.07063	12.6
83.05003	15.5
83.08624	6.0
85.06571	8.7
85.68243	5.1
86.15067	5.1
91.05470	39.1
93.07051	13.0
95.04991	17.0
97.02876	36.9
103.05493	7.4
105.07016	74.9
106.30743	6.6
107.04919	10.0
107.08579	41.7
109.10201	11.4
109.35084	7.0
111.04461	30.8
117.07039	10.8
119.08553	36.8
121.06499	6.8
122.03658	9.1
128.06238	5.9
129.07048	10.4
130.77112	6.0
131.04959	7.9
131.08630	7.1
133.06456	32.7
134.07309	8.4
135.08109	11.1
137.02409	17.6
137.05974	100.0
143.08589	14.1
145.06488	6.3
147.08044	39.1
153.05647	7.6
161.05954	7.0
171.11781	17.7
199.11281	24.1
217.12363	15.7
245.11623	33.6
280.22141	6.5
318.78183	6.4
323.16797	8.6
341.17798	11.9
381.20612	61.3
399.14108	76.4
424.80853	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	399.1444
Annotation	S-(5'-Adenosyl)-L-methionine
Peak:m/z	Relative Intensity
56.05027	19.8
61.01131	6.7
68.77911	1.9
69.03405	6.4
74.02424	5.6
74.06060	8.5
74.37614	2.0
75.02689	4.2
91.71552	2.6
97.02886	82.7
102.05535	32.3
136.06177	100.0
145.03218	2.6
250.09315	77.4
282.73438	2.4
298.09723	13.5
401.39566	2.6
415.64148	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	399.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01534	1.2
54.47026	1.3
54.67976	1.2
57.76118	1.2
58.54994	1.3
69.07086	1.9
70.06577	1.6
85.92088	1.5
88.51086	1.3
101.83502	1.8
105.85482	1.6
115.47474	1.8
118.66313	1.6
159.22006	1.9
210.96526	2.0
243.04768	6.1
287.03711	15.9
313.16248	2.9
355.17422	13.8
383.20532	2.6
399.16232	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62072	3.7
52.79753	4.0
52.91336	3.6
54.18450	3.4
59.15649	4.0
67.05475	4.4
77.57078	4.9
81.07054	5.1
103.63736	5.7
119.81161	5.2
129.02028	4.5
328.96762	5.5
345.24475	9.2
355.17114	27.2
399.16260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1648
Annotation	Hymenoside S
Peak:m/z	Relative Intensity
55.66949	5.4
55.76077	6.6
57.07073	42.7
69.03423	13.5
69.07028	6.4
79.05493	7.5
85.02911	8.7
86.04147	5.5
91.05508	13.8
93.07031	7.2
95.08637	20.5
100.45234	7.0
105.07069	14.2
107.04977	5.5
107.08587	11.4
117.06882	6.0
119.08660	7.4
129.07043	10.3
129.38661	6.8
131.08611	16.4
135.08122	6.5
143.08609	14.7
145.06505	9.9
145.10146	10.0
149.06004	6.5
159.08081	17.2
161.09618	12.1
163.03967	27.4
171.08087	14.8
173.09558	9.3
175.04042	7.9
180.97156	8.4
187.07617	24.3
197.09697	10.5
205.05074	9.6
205.08755	7.5
213.09186	10.1
215.07133	22.6
215.10674	8.2
225.12645	8.1
229.04857	9.2
243.06462	9.8
261.04041	8.7
261.07697	21.0
271.13379	13.5
279.04984	10.2
289.06958	9.9
307.08167	9.2
345.13208	12.4
363.14453	45.9
381.15396	100.0
399.16263	55.3
410.66968	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	399.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15860	2.5
56.44282	2.0
58.54202	2.3
63.46501	2.2
79.05485	3.2
80.82088	2.6
91.05486	7.3
91.71615	3.1
103.05470	4.6
115.05504	3.9
119.04925	2.7
122.03688	4.4
128.06258	7.5
129.06990	23.3
129.07800	2.4
131.04964	7.2
131.08542	26.7
135.04463	3.7
137.05965	100.0
141.07050	14.3
146.07378	4.4
151.07541	6.6
156.59344	3.1
157.06567	9.8
158.07346	9.5
159.08119	11.6
160.05229	3.9
163.07571	4.0
169.06538	8.9
170.07335	3.8
174.06743	51.6
175.07632	4.7
186.06799	6.8
188.30968	2.7
189.09091	43.1
189.10536	2.9
201.09087	19.7
219.10130	49.3
238.20663	3.6
274.46664	2.8
291.97485	3.2
383.20593	3.2
399.17963	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	399.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82702	2.2
53.00276	2.5
55.05484	2.8
57.07063	21.5
67.05495	4.1
70.62260	3.1
75.49404	2.7
79.05491	6.0
83.04981	3.7
85.06537	9.2
91.05462	8.3
95.04963	5.2
103.05448	3.9
105.07039	3.4
119.04953	3.4
122.03649	7.2
124.29964	3.0
129.07042	3.5
131.08475	3.4
137.05972	100.0
151.07507	5.9
153.05463	6.4
158.74686	3.0
162.79958	2.7
187.07469	5.7
189.09169	3.6
211.07542	7.7
215.10791	3.3
225.09192	4.4
245.15283	3.9
265.00009	3.3
273.14996	7.6
285.14926	9.3
292.81870	3.1
293.36935	4.0
341.17856	4.7
366.18851	3.7
381.20560	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	399.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.0
62.18493	1.0
65.03932	1.5
67.05496	14.5
69.07055	5.1
74.28358	1.2
79.05482	4.8
81.06601	1.3
81.07048	13.4
83.08598	3.1
87.52545	1.2
91.05475	16.5
91.21648	1.1
93.07028	10.4
95.08600	11.5
97.10168	2.2
105.07006	2.2
107.08582	4.0
109.10139	4.4
119.04931	29.4
121.10135	14.9
127.97553	1.2
135.11697	12.4
147.04402	100.0
149.13243	1.8
165.05457	34.1
166.85979	1.3
217.19543	3.5
225.28387	1.4
235.20573	5.0
271.32510	1.4
313.54950	1.2
399.18307	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	399.2529
Annotation	farnesyl-5,7-dihydroxy-4,6-dimethylphthalide
Peak:m/z	Relative Intensity
54.35457	1.2
55.05496	4.0
57.30659	1.3
61.05438	1.2
65.03934	3.2
67.05504	16.4
67.06895	1.0
69.07059	3.6
71.04992	1.0
77.72535	1.2
79.05485	6.9
81.07049	17.4
83.08612	3.7
91.05470	16.7
93.07046	12.4
95.04967	2.0
95.08609	13.6
97.06555	1.9
97.10147	2.5
105.07058	1.4
107.08587	5.4
109.10168	5.0
119.04935	24.3
119.08598	1.4
121.10140	15.3
123.04471	2.0
133.10150	1.7
135.11699	14.0
147.04408	100.0
165.05467	16.8
217.19533	2.0
235.20607	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	399.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.4
65.03940	2.0
66.49528	1.8
67.05496	20.8
69.07052	7.3
79.05476	6.1
81.07050	18.3
83.08604	4.7
84.46394	1.8
91.05473	19.5
91.71634	2.5
93.07042	13.1
93.17539	2.1
95.04928	2.6
95.08575	17.2
97.10134	2.1
103.05831	2.1
105.06969	2.3
107.08588	4.1
109.10123	4.8
119.04929	28.0
119.60461	1.8
120.29483	1.8
121.10137	22.1
121.73438	1.8
135.11641	15.2
147.04398	100.0
165.05479	22.7
176.96326	2.5
217.19508	6.7
235.20523	7.3
258.06836	2.5
269.79025	2.1
299.55850	2.2
305.01257	2.3
399.30869	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58418	1.6
62.92708	1.6
68.18129	1.7
72.74731	1.5
101.11216	1.4
105.41169	1.7
174.40840	1.8
176.07918	1.8
178.94318	1.6
204.84856	1.8
250.88702	2.1
337.61343	1.8
399.30756	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99700	1.5
53.92805	1.6
55.45447	1.3
70.29254	1.5
76.82736	1.6
100.69025	1.8
108.84464	1.9
166.05260	2.2
266.43457	1.9
369.24634	2.1
381.20575	2.1
399.30807	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61714	2.2
53.00302	2.3
55.05504	29.0
57.07061	10.9
67.05495	82.5
69.07063	46.6
71.04981	5.0
71.08628	7.5
79.05470	6.2
81.07043	100.0
83.08610	41.2
85.06546	26.4
91.70849	5.6
92.26894	3.3
93.07011	16.4
95.08595	96.6
97.10157	33.4
107.08583	8.8
109.10140	49.4
111.11713	11.7
121.10117	18.5
123.11696	19.8
125.13318	3.0
128.46310	3.2
135.11671	17.8
137.13264	7.2
145.10107	3.1
147.25720	3.6
149.13283	8.5
151.14897	5.3
174.09183	5.0
205.26085	3.0
223.27896	3.1
240.26698	3.6
244.52400	3.3
303.30490	11.0
321.31497	9.0
345.35236	8.5
363.36111	4.3
399.28806	68.8
399.34494	25.0
400.28940	5.7
405.82614	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	40.1
55.31565	7.1
57.07059	20.5
59.71598	7.6
67.05502	56.2
69.07056	74.7
81.07050	83.1
83.08602	49.8
91.71668	13.2
95.08601	100.0
97.10162	36.8
109.10156	40.1
111.11761	11.2
121.10098	16.4
123.11733	19.8
123.57454	8.1
135.11694	15.3
149.13257	11.9
161.21106	8.9
399.30667	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24138	0.5
52.84675	0.6
55.01859	1.9
57.03419	1.6
69.03407	1.9
70.06578	2.1
72.08129	1.0
73.02904	1.5
85.02886	1.5
97.02894	1.1
112.12921	0.7
119.03565	1.2
120.08096	0.9
133.04936	1.3
136.06184	100.0
137.04576	1.2
139.03865	0.8
166.08571	0.7
268.10364	6.9
298.67557	0.7
301.17575	1.1
400.14767	3.4
404.43497	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55670	2.1
55.01871	6.3
57.03431	29.2
60.17184	2.4
61.02906	11.1
69.03423	45.2
70.06582	21.3
71.01394	4.2
72.08151	11.4
73.02911	40.6
78.57243	2.6
81.03430	3.9
84.08163	3.0
85.02902	100.0
86.09692	12.0
87.04446	13.3
91.03915	4.1
91.70985	4.9
97.02889	51.5
99.04438	3.3
104.07079	5.1
109.02885	7.7
115.03925	29.5
116.07095	7.2
127.03918	25.0
127.57806	3.0
127.58781	2.7
130.83780	3.0
133.04941	22.2
136.07550	9.5
140.84952	2.8
145.04941	36.9
150.07674	3.9
163.06020	19.1
231.87167	3.2
241.07100	3.6
249.36671	3.2
251.15080	3.3
279.92209	5.1
308.32840	3.3
341.08231	3.0
414.21078	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	400.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.8
57.03441	13.7
61.02927	13.8
66.21793	3.3
69.03423	36.3
69.03729	3.1
70.14449	3.1
71.01358	4.3
71.47858	2.8
73.02909	67.9
79.63272	3.0
81.03435	7.1
85.02897	100.0
87.04528	3.9
90.76290	3.2
97.02892	45.8
99.04473	4.8
109.02898	7.8
115.03918	17.6
115.27045	2.9
127.03900	21.5
130.34579	3.2
133.04962	23.9
138.40045	3.2
141.77608	3.7
142.75716	3.5
145.04950	43.1
163.06068	15.2
191.96080	4.7
241.07158	5.1
259.08286	5.0
400.16672	4.8
406.96625	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	400.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94905	3.3
59.47778	2.5
60.08150	12.9
68.05001	3.5
69.05796	9.9
93.07038	14.8
95.08583	3.6
96.84113	3.0
106.06557	3.4
107.08580	7.9
123.51747	3.7
124.54468	3.3
127.03258	100.0
135.11687	9.4
141.60320	3.5
175.51344	4.0
178.64104	3.3
228.64574	3.7
261.14114	17.4
356.23621	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90108	0.6
55.05499	1.4
69.07050	1.1
70.06569	0.6
91.05441	1.0
91.71682	1.1
94.06575	1.9
116.91272	0.7
120.08079	0.9
130.06543	1.0
145.08841	0.9
146.09639	1.5
158.09650	1.4
159.10425	15.3
160.11205	4.0
172.11195	18.0
173.11966	3.4
181.48143	0.7
186.12801	5.2
200.14314	2.1
214.15976	1.6
228.17378	1.4
237.37222	0.9
256.20557	1.1
315.78839	1.1
354.31506	100.0
355.31781	1.4
400.32053	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	401.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	36.9
68.07527	8.5
72.20039	8.6
72.34340	8.4
77.55261	10.9
79.89827	8.6
85.36818	8.9
89.08469	11.2
98.97578	99.5
112.08090	11.0
116.98625	94.6
116.99310	10.3
134.99657	60.7
140.00197	99.3
158.01222	61.3
169.73553	10.4
181.02837	91.0
227.53885	11.1
258.99957	24.6
277.01001	43.3
282.01367	100.0
300.02426	76.4
323.04053	99.4
401.00711	11.6
424.02890	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	401.0867
Annotation	Theaflagallin
Peak:m/z	Relative Intensity
50.62178	1.9
55.01870	3.6
57.04762	2.2
67.05491	2.7
111.04459	3.6
133.06468	3.1
133.59625	3.1
133.64787	3.0
139.03897	100.0
161.06033	8.2
163.03938	3.5
171.04430	6.7
187.47237	2.8
189.05450	12.0
199.04034	7.2
205.05031	9.4
217.05025	7.8
218.37447	2.8
229.05168	3.5
235.06007	17.4
263.05484	38.0
299.69733	2.8
360.68228	3.0
401.08594	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.1
56.96547	4.3
57.03434	3.0
60.05628	4.3
70.06239	6.0
70.06585	100.0
71.04978	8.8
72.08143	23.3
74.06062	4.1
74.88909	3.0
81.07066	3.5
84.04490	4.9
84.08138	17.5
85.02909	4.9
85.93890	3.2
86.09695	53.9
91.05463	6.2
93.03385	3.5
109.06537	4.0
112.08704	18.4
115.08672	6.7
116.07114	14.9
120.08105	14.8
121.08443	4.7
129.10295	4.9
136.07579	16.5
137.07899	4.7
213.18149	3.5
217.11803	5.5
225.17131	10.4
279.37836	3.7
288.20355	5.9
306.55786	3.8
353.33609	4.1
401.12027	48.7
401.17612	6.9
401.28864	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	401.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53383	2.5
55.11852	2.4
58.40414	2.4
63.00949	2.6
63.36401	2.4
66.92007	2.0
68.93564	2.3
75.37370	2.5
79.85633	2.4
82.85065	2.4
88.92123	2.2
91.70959	2.9
100.90327	2.6
102.17578	2.6
102.69295	2.6
110.95480	2.8
112.79662	2.8
113.75531	3.1
151.02298	2.7
151.43245	2.8
191.03160	6.1
206.05487	33.8
224.58891	3.4
401.11993	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53485	9.4
56.96554	100.0
57.07067	45.9
63.52735	11.5
64.56110	11.8
71.89208	11.1
72.49020	11.8
81.03424	19.7
81.07034	14.3
91.05505	17.7
95.41989	13.1
105.00131	12.3
120.16592	12.3
123.08072	40.4
124.27170	13.5
165.01828	86.2
172.67119	12.5
209.05016	17.8
219.13841	26.4
260.27216	12.9
262.17371	13.7
281.08136	16.1
293.10687	18.3
311.11777	25.1
316.12183	89.1
334.13248	53.3
339.13785	17.0
357.14597	81.4
401.15771	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	401.157
Annotation	N-Monodesmethyldiltiazem
Peak:m/z	Relative Intensity
59.72234	2.5
61.29227	3.1
62.47709	2.8
67.05533	2.5
67.08141	2.5
79.66994	3.1
80.12220	2.7
86.32542	3.0
91.71654	5.1
130.41840	3.2
135.07904	3.4
137.05931	9.6
159.21413	3.4
167.52246	3.5
203.03157	4.5
206.05606	4.9
225.21249	3.9
237.34009	4.5
263.89841	4.4
276.84998	3.8
401.15903	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50288	5.6
57.05799	5.8
78.38101	5.9
81.07071	7.4
85.22476	6.9
93.07042	8.0
95.08603	9.9
105.07072	6.7
106.79724	7.1
121.72972	7.0
125.95200	7.4
131.64990	8.5
150.38441	6.9
181.39970	6.6
184.73308	7.5
219.41208	7.5
233.13605	8.0
250.32243	7.7
302.25659	7.2
317.21024	7.4
401.15604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	27.2
62.17884	3.3
65.03934	4.0
68.67075	3.6
76.32418	3.9
79.05481	8.5
81.03400	3.3
85.06519	8.6
85.72610	3.7
87.12324	4.1
91.05453	10.2
95.04924	4.6
95.08664	4.4
97.06550	4.5
105.07029	7.3
105.84473	4.0
107.04971	8.0
110.03677	6.4
117.07077	6.3
118.84541	4.5
119.37146	3.9
121.06511	5.4
125.05988	100.0
135.04347	4.7
135.08057	8.0
137.02382	16.5
137.05942	4.7
145.06462	7.2
153.05458	7.1
159.08070	5.5
165.01820	33.4
171.88399	4.4
175.03856	7.6
186.87936	4.5
187.07542	7.9
191.03398	14.3
219.13725	7.3
229.12180	5.7
229.73463	4.5
230.13051	10.0
231.13887	8.6
249.40504	4.0
275.09183	5.9
277.10779	13.7
281.08170	12.1
299.09216	13.2
311.35678	5.2
322.06308	5.4
383.14972	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	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	100.0
58.98276	9.7
62.93832	10.5
70.06590	15.1
77.22466	13.4
77.29972	10.0
79.05476	17.0
85.06529	29.8
91.05463	24.6
97.02874	13.6
97.06532	16.7
105.07009	25.3
111.04481	13.4
115.05385	12.2
117.07043	18.0
117.34183	11.2
118.87107	11.1
121.06531	20.5
125.05973	65.3
135.08044	23.5
137.02371	52.0
137.05962	19.8
145.06512	25.2
146.07286	19.2
163.16283	13.1
165.01762	25.5
175.03893	46.4
180.47424	12.1
191.03351	34.1
255.09482	13.3
267.59735	12.2
277.10703	25.6
281.08130	50.2
282.52805	12.9
295.78912	13.3
299.09290	14.8
383.14725	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	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16713	6.2
57.87874	6.7
59.27985	6.7
60.79577	7.8
63.22023	7.3
63.88340	7.1
79.05468	19.9
79.26176	6.9
85.72223	10.2
88.97572	7.4
91.05473	10.4
105.37794	7.9
106.19284	9.5
107.04953	28.2
111.54816	8.1
122.09202	8.0
125.59611	9.8
128.79390	9.0
134.06009	8.4
154.30611	8.2
156.05704	13.3
167.07037	73.5
173.05956	8.7
173.79649	10.5
205.08612	12.2
208.05229	25.2
217.08618	25.8
231.08110	12.0
247.09621	19.6
254.05894	16.0
263.10681	10.7
269.08035	23.6
278.94189	9.7
291.10049	13.5
299.09387	11.5
309.21634	11.6
315.08646	100.0
323.12833	13.8
330.10876	87.7
331.11450	15.1
343.11887	14.5
351.12216	19.5
383.14951	57.4
401.16122	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	401.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30556	2.7
55.05486	2.7
69.07083	3.7
73.03391	2.9
79.95795	3.5
81.07043	5.4
93.07043	3.3
137.50511	3.9
171.11636	3.1
244.20781	3.8
247.88426	3.7
354.17029	3.9
357.18994	12.5
401.17749	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43261	20.9
54.62535	17.9
57.07062	77.3
66.02206	19.1
79.93468	22.5
81.07053	52.9
82.67133	23.6
85.06548	30.5
91.05465	89.6
93.07018	73.8
95.04920	27.3
97.02859	30.1
101.61565	22.6
105.07067	33.8
107.04955	100.0
117.07025	36.0
119.55956	27.5
125.09608	24.8
126.56848	22.9
131.08591	70.4
137.02299	47.6
137.09622	29.4
150.10463	34.1
153.05467	32.4
173.09651	59.4
185.29102	29.1
205.15839	37.7
215.14325	51.2
216.15204	31.2
233.15277	48.0
291.76117	24.8
304.95267	27.7
383.18430	40.3
401.28745	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02808	4.0
53.75624	5.5
54.31360	4.5
57.07069	60.6
58.06587	9.0
60.08171	7.9
66.20051	5.1
69.41201	4.5
74.95810	4.5
81.07056	9.2
91.70956	4.9
95.08593	7.7
97.02917	5.8
111.66379	6.0
113.10781	19.7
116.05359	22.2
126.02509	5.7
130.39070	5.1
131.72372	5.1
151.03952	6.0
156.13850	34.4
158.38158	5.8
172.11633	21.9
184.09047	100.0
184.10533	7.0
185.09918	16.6
231.65315	5.9
242.48952	6.9
314.13745	19.0
357.21533	18.8
401.20581	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	401.2302
Annotation	CHEBI:69985
Peak:m/z	Relative Intensity
51.67583	18.9
54.20347	19.4
56.58585	20.5
63.03402	19.9
77.77791	26.4
81.07040	34.7
96.34811	23.9
122.39067	20.8
131.45639	19.7
147.17719	26.4
241.43196	27.8
401.23010	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	7.7
57.40753	2.0
67.05502	23.9
69.07052	7.2
71.96371	2.2
73.68240	2.1
78.84919	2.6
79.05494	6.5
80.92474	2.6
81.07051	43.0
83.08612	7.3
89.74949	2.4
91.05466	12.5
93.07028	6.3
95.08598	24.3
97.10152	4.7
97.74336	2.3
104.67051	2.2
107.08647	2.5
109.10165	7.7
119.04925	26.0
121.10175	7.6
123.10293	2.8
123.11716	11.5
129.05188	2.6
129.06158	2.6
135.11682	2.9
137.13251	5.2
147.03218	6.1
147.04401	100.0
165.05473	12.5
219.21074	3.3
241.48705	2.8
286.30640	3.7
304.71878	3.5
426.82251	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	401.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.9
56.05029	1.3
56.96523	1.7
60.04507	3.9
60.05638	11.7
62.20319	1.2
66.49230	1.3
69.03413	1.9
69.07053	3.5
70.06582	100.0
71.04246	1.3
71.04972	5.1
72.08145	32.5
74.06071	1.9
74.33030	1.3
77.21277	1.3
84.04490	2.1
84.08153	10.9
86.09698	57.2
88.04005	1.6
88.07593	2.1
91.71573	1.9
97.07675	1.8
101.01206	1.3
105.06965	1.6
109.02953	1.4
110.07178	1.5
112.08727	19.5
115.08685	3.1
116.07095	16.8
128.10695	2.7
129.10263	4.8
130.08646	3.6
140.08179	3.8
141.01759	1.8
145.09839	1.6
147.11290	3.6
153.05138	1.5
157.10805	3.2
159.11336	4.1
181.04947	2.6
183.14952	4.8
185.16525	1.5
187.10854	3.4
187.23296	1.4
210.16118	2.2
215.13931	1.9
225.17052	10.0
229.15240	2.2
270.19193	2.3
271.17694	5.2
286.17523	2.2
288.20148	8.9
384.26144	2.0
401.28644	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	4.0
55.05497	8.9
55.24020	3.3
55.36308	3.4
57.03421	5.3
57.07069	61.1
57.90460	3.5
67.05498	21.0
69.03412	9.4
69.07040	9.3
71.04990	9.1
71.08620	46.8
73.02870	6.8
73.99976	3.5
81.03382	9.1
81.07049	33.0
82.97167	3.3
83.08617	20.3
85.02872	4.1
85.10163	20.2
95.08592	30.5
97.02885	100.0
97.10168	8.4
99.04447	42.6
109.02874	15.2
109.10152	11.7
123.11703	7.4
127.03928	22.0
134.37315	4.0
142.85605	3.8
145.04926	15.2
147.04402	5.8
165.67838	3.7
239.23691	15.7
303.78418	4.5
340.71875	4.0
391.72714	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	401.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78677	5.6
52.72197	6.3
53.03923	6.2
55.01850	15.1
55.05500	12.4
57.07067	68.8
58.87761	6.1
59.31514	6.7
62.19514	6.5
67.05486	32.8
69.03432	43.4
69.07045	19.3
71.04974	12.3
71.08622	59.1
73.02892	8.0
81.03400	40.5
81.07034	46.2
83.08603	24.1
85.02914	10.8
85.10165	22.4
95.08612	53.9
97.02897	68.6
97.10184	9.3
99.04462	73.9
109.02868	38.2
109.10157	23.6
127.03920	100.0
137.32463	8.2
145.04947	8.2
147.04417	14.3
165.72955	9.0
206.07718	8.0
239.23672	18.2
352.07990	8.7
382.78409	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	401.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	5.9
55.05490	23.3
57.07070	100.0
64.34097	6.7
67.05479	23.8
69.07050	23.6
71.04988	7.0
71.08623	59.7
81.03413	14.1
81.07047	49.3
83.08601	31.3
85.10163	33.5
88.07616	14.2
91.05493	7.7
93.07082	7.4
95.08582	73.9
97.02883	77.6
97.10157	9.5
99.04448	25.8
106.53806	7.1
109.02860	16.3
109.09431	9.5
109.10154	33.5
121.10099	8.0
127.03942	48.3
137.13289	11.1
147.04407	15.5
189.32085	8.2
221.22707	8.6
239.23711	72.6
400.37796	18.7
401.37967	9.9
404.22430	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	401.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11835	16.3
55.05491	25.2
57.07053	22.9
67.05489	72.7
69.07053	33.6
76.76562	21.4
78.88905	19.8
79.05518	19.8
81.07051	100.0
83.08607	27.6
83.28751	20.3
91.05478	27.8
91.70988	38.4
93.07001	26.1
95.08601	81.7
106.06555	26.0
107.07386	32.8
109.10183	25.9
109.75375	20.3
119.08598	25.6
123.11749	24.4
145.10109	31.1
147.04404	25.9
159.11656	37.9
222.48582	23.5
383.33170	42.0
402.33783	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.191
Annotation	Alpinigenine
Peak:m/z	Relative Intensity
53.87741	1.8
67.05497	2.1
70.06566	6.4
70.09814	2.6
75.58738	2.0
78.40729	2.1
84.04453	3.7
86.09699	3.1
91.71602	2.6
95.00763	2.3
95.08566	2.9
97.02887	2.3
100.06437	2.1
149.04297	2.4
200.14337	100.0
217.79842	2.7
228.17426	3.9
229.18251	5.3
238.12032	2.5
316.19098	8.5
337.75394	3.1
344.18613	11.0
372.18082	46.7
402.19000	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20727	5.4
51.31631	4.8
55.05483	8.9
56.87873	5.3
57.07061	15.3
67.05489	11.9
68.70170	6.4
69.07068	9.4
69.26711	6.1
70.06596	38.5
70.06934	7.0
71.01344	7.3
71.04979	14.1
72.91863	5.8
79.05474	6.6
79.37787	5.8
81.07034	10.0
83.04963	6.3
83.27375	6.0
91.05496	11.4
95.08600	17.2
113.06004	100.0
113.53299	5.8
133.10158	7.4
137.06015	14.4
147.04568	7.4
173.09750	8.3
211.13336	7.7
267.13904	6.6
287.11972	6.0
349.16339	15.5
367.17581	21.0
385.18600	52.5
402.25244	12.4
408.20224	7.4
426.21249	17.5
427.21674	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	402.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70692	11.2
55.05495	23.2
55.72101	8.9
57.03411	25.8
62.34612	8.8
67.05495	69.8
69.07048	42.5
79.05499	29.0
81.07050	100.0
83.04956	13.3
83.08596	17.8
85.06498	10.2
89.86899	9.8
91.05454	36.5
93.07044	56.1
95.04949	15.5
95.08612	31.8
97.06504	18.3
97.10128	11.8
105.07023	42.8
107.08584	29.4
117.07033	21.5
119.08578	18.4
121.10104	16.3
123.07993	14.4
126.94425	11.4
131.08531	28.8
133.10150	31.8
135.11722	22.2
145.10100	11.2
149.09590	18.2
159.11705	22.4
177.12668	12.0
179.27917	11.7
195.13777	14.6
208.75183	11.8
211.26744	11.6
227.12576	11.5
255.15924	37.2
258.15546	11.6
269.17438	41.0
275.20081	19.8
344.34845	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	402.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	18.0
67.05495	11.4
69.07064	10.0
81.07039	7.6
91.05487	14.8
106.06560	56.1
107.07326	96.6
120.08109	35.3
128.02545	6.4
132.08092	55.1
134.09662	21.1
136.34538	6.7
146.09650	24.4
160.11179	8.4
195.88936	6.1
228.29900	7.1
329.30502	10.1
356.33063	100.0
356.99188	6.7
402.33575	97.0
421.33670	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	402.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	14.8
63.06182	4.0
67.87048	3.7
70.06582	35.2
83.84663	3.5
84.48887	3.7
84.54126	3.8
88.07615	37.8
97.00169	4.5
102.09194	22.6
104.50829	4.2
104.99346	3.8
121.28877	4.0
124.20774	4.6
130.96881	4.2
150.92776	4.6
243.50290	5.3
323.77075	5.6
340.35754	38.3
357.57004	5.3
370.57620	4.9
402.39328	100.0
402.44116	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	403.1387
Annotation	6,7,8,3',4',5'-Hexamethoxyisoflavone
Peak:m/z	Relative Intensity
57.07066	4.7
58.54525	2.1
61.12007	2.4
70.06582	18.9
72.08130	3.0
79.05465	2.7
80.72299	2.5
91.05482	3.0
97.07661	5.2
103.05457	6.6
105.07046	3.4
112.08683	3.5
113.97262	2.6
114.10300	5.1
120.90041	2.4
123.04430	8.4
124.05231	4.7
131.04945	8.7
137.06001	3.7
145.06496	3.5
153.05501	9.9
157.04895	3.9
159.04391	17.0
167.03416	17.7
167.07019	100.0
191.07088	5.4
205.79485	3.2
217.08694	3.1
219.06596	11.8
359.24225	5.3
373.12906	11.7
403.13821	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	403.1387
Annotation	Descurainolide B
Peak:m/z	Relative Intensity
55.01836	5.7
56.84034	5.0
65.03928	5.6
67.02055	5.3
73.16208	4.9
79.05479	18.5
85.57545	6.5
91.05473	27.0
92.57275	5.8
95.04945	5.8
103.05453	25.4
105.03372	15.9
107.04925	14.9
108.70535	5.7
109.06490	9.9
117.03367	8.9
119.04938	10.2
121.06486	9.8
122.03642	18.0
131.04948	21.8
132.05702	21.1
133.02838	32.0
133.06496	22.1
135.04440	17.9
137.05972	60.1
147.04393	20.9
149.02245	10.0
149.06000	29.1
161.02336	6.6
161.05971	27.4
162.06758	7.5
163.03833	11.4
165.05420	93.7
167.07010	29.7
176.04674	9.2
177.05461	100.0
179.07016	9.9
180.07854	15.4
181.04893	11.3
191.07021	15.6
192.07787	69.7
193.04930	44.1
193.08592	30.1
200.53464	5.7
205.05008	11.2
210.08940	8.1
213.09027	6.5
235.07655	7.8
274.95178	6.5
280.07510	8.8
280.81381	7.6
295.09622	15.5
353.10114	9.2
385.12750	12.9
403.14450	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	403.1388
Annotation	2-(2,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
55.01857	7.9
58.40814	7.2
66.04709	7.1
77.03937	7.8
78.45318	8.0
79.05475	7.1
91.05474	34.9
94.04173	9.6
95.04929	12.6
103.05467	22.5
104.06258	17.0
105.03368	24.8
105.07020	27.0
107.04914	14.2
111.53188	8.7
115.05399	9.2
117.03390	7.1
119.04926	16.2
121.06504	8.8
122.03635	14.4
123.23500	7.3
131.04903	73.3
131.55040	7.3
132.05687	60.2
133.02832	40.5
133.06464	9.8
137.05981	62.0
142.63893	8.3
147.04425	27.1
149.05989	28.2
151.07664	8.6
160.05217	23.0
161.02298	10.2
161.05957	45.5
163.03981	11.0
165.05450	100.0
166.88100	11.1
167.07040	43.3
177.05424	39.5
179.07068	16.5
180.07870	25.0
182.09465	9.0
191.06963	38.2
192.07811	97.8
193.04953	51.8
193.08603	18.5
231.06796	9.0
235.07635	13.1
270.39304	8.3
280.07144	9.0
295.09634	25.3
353.09995	45.8
367.11798	13.0
385.12891	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	403.1389
Annotation	Gossypetin hexamethyl ether
Peak:m/z	Relative Intensity
53.08000	8.8
80.69378	9.8
91.71127	12.9
111.04462	17.0
116.85504	10.0
122.35758	14.8
131.05000	13.9
135.69626	11.4
137.05959	100.0
144.93352	12.2
151.03922	58.8
153.05490	12.8
156.73563	13.1
161.05949	13.5
172.26083	11.2
177.05557	28.1
181.04976	54.1
191.06958	13.9
249.07751	16.2
297.11401	18.1
306.28943	15.4
307.09818	17.7
373.12656	14.4
403.13937	48.5
405.15289	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	403.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	3.9
55.05506	3.8
57.06797	4.8
57.07065	60.1
62.31486	3.2
63.41612	2.9
65.03934	3.0
67.05499	5.3
67.89295	3.2
69.03419	18.7
70.06573	29.5
72.08138	8.6
79.05488	8.8
81.03427	5.5
81.07037	16.3
85.06533	26.3
91.05492	14.1
93.07011	8.5
93.99049	3.3
95.04946	7.0
95.08596	10.6
97.07649	3.2
97.73659	3.4
99.08083	11.6
103.97787	3.3
105.03397	4.0
105.07056	5.8
107.04935	9.9
107.93450	3.5
114.10299	10.8
117.06969	4.2
119.08600	9.6
121.10133	4.7
122.09669	4.2
123.04424	9.6
123.08090	5.5
127.07552	13.6
131.04866	6.3
137.02309	20.3
137.06009	9.1
137.09659	10.1
145.10103	5.4
147.34491	4.0
150.09132	13.9
153.05527	8.8
159.04420	6.3
165.01862	6.5
165.05560	4.4
167.03398	5.5
167.07007	34.1
175.03860	100.0
175.92564	3.9
205.15857	13.4
219.06538	5.3
233.15334	61.5
259.09500	6.3
277.10709	12.0
283.09634	10.8
298.76932	3.9
301.10669	17.7
312.62091	3.9
312.65790	4.3
352.81793	4.6
359.24438	10.5
392.87476	4.1
403.13712	8.6
409.87909	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	403.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	19.4
69.07050	16.5
79.05475	22.4
81.07044	58.7
91.05481	49.1
93.07027	35.2
95.08589	46.3
104.55974	8.1
105.07016	44.4
107.08600	24.5
109.10173	13.2
117.06965	17.1
119.08572	29.8
121.10189	13.4
129.06938	12.3
131.04933	12.7
131.08559	42.4
132.05688	12.4
133.10155	15.3
137.05975	19.3
140.87233	9.0
143.08542	24.6
145.10127	36.2
146.38942	11.3
149.05986	10.3
155.08495	11.0
157.10138	23.6
159.11676	45.4
161.13293	24.3
165.05461	10.6
167.06990	14.9
169.10165	11.3
171.11636	17.3
173.13254	14.0
175.07643	9.8
175.14722	10.8
183.11705	18.4
192.07826	13.4
197.13380	9.5
203.10703	12.0
207.11801	12.4
211.14842	13.3
217.08545	11.7
253.19449	57.8
259.53339	9.5
263.18051	16.3
271.20569	24.7
281.18970	77.2
299.20053	100.0
315.08746	10.9
409.09625	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	403.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	19.4
69.07050	16.5
79.05475	22.4
81.07044	58.7
91.05481	49.1
93.07027	35.2
95.08589	46.3
104.55974	8.1
105.07016	44.4
107.08600	24.5
109.10173	13.2
117.06965	17.1
119.08572	29.8
121.10189	13.4
129.06938	12.3
131.04933	12.7
131.08559	42.4
132.05688	12.4
133.10155	15.3
137.05975	19.3
140.87233	9.0
143.08542	24.6
145.10127	36.2
146.38942	11.3
149.05986	10.3
155.08495	11.0
157.10138	23.6
159.11676	45.4
161.13293	24.3
165.05461	10.6
167.06990	14.9
169.10165	11.3
171.11636	17.3
173.13254	14.0
175.07643	9.8
175.14722	10.8
183.11705	18.4
192.07826	13.4
197.13380	9.5
203.10703	12.0
207.11801	12.4
211.14842	13.3
217.08545	11.7
253.19449	57.8
259.53339	9.5
263.18051	16.3
271.20569	24.7
281.18970	77.2
299.20053	100.0
315.08746	10.9
409.09625	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	403.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24701	0.8
50.63709	0.8
55.05514	7.0
56.05024	1.7
60.04547	0.9
69.07063	1.9
70.06573	4.3
72.08147	100.0
72.81655	0.9
74.06071	3.9
81.03431	1.1
84.04505	2.8
84.08141	1.6
85.02863	0.9
85.03975	2.3
86.09700	50.1
87.10030	1.1
88.03990	3.4
91.05479	1.4
96.08122	1.4
98.02434	1.6
107.99521	1.0
117.78215	1.1
119.68906	0.9
124.07540	1.2
127.05025	2.9
132.10197	9.4
134.08162	1.4
139.25267	1.1
143.11804	12.3
145.06085	1.5
148.03944	1.7
149.04689	2.4
151.79921	1.1
157.13423	1.4
162.07780	1.3
169.09718	4.3
171.11310	3.5
173.05513	1.9
175.10793	3.3
180.06554	1.4
185.12871	2.2
187.10733	5.3
187.14403	1.7
189.12317	12.7
201.12325	8.1
215.10320	8.1
215.13940	3.0
219.13405	1.2
229.11902	3.8
233.11339	1.4
233.14944	2.6
236.05388	1.3
240.13457	2.1
262.56232	1.3
272.12448	3.4
286.13889	2.1
304.15063	3.1
326.48907	1.3
339.20313	3.1
385.20773	2.1
403.15237	4.1
404.95819	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	5.6
56.05022	3.2
69.07051	5.4
70.06589	9.2
72.08150	100.0
72.44664	1.4
73.08469	1.6
74.06078	3.3
75.05592	2.4
77.42419	1.4
80.92817	1.5
84.04510	17.5
84.08134	3.0
86.09698	73.8
88.03992	3.3
101.07074	2.4
102.05544	6.5
116.07100	5.4
126.12783	1.7
126.99539	1.6
129.10237	12.3
132.10205	2.2
132.53078	1.5
143.11790	12.6
144.06519	8.4
157.09729	4.5
161.09215	7.8
169.09731	2.8
171.11246	4.1
173.12854	3.2
183.11340	3.0
187.10773	3.3
189.12311	10.0
197.12814	2.4
201.12337	6.8
203.13968	2.1
215.10257	3.1
228.09164	2.2
229.11816	5.0
233.11359	6.2
234.57086	2.3
286.13812	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	403.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07083	5.0
70.06582	100.0
72.08138	33.3
80.39315	2.5
82.38686	2.5
84.93718	2.5
85.06537	2.9
85.58435	2.9
95.08559	3.1
96.04505	7.3
97.07650	18.8
101.25005	2.6
105.07060	4.1
108.08163	8.7
112.08749	13.0
114.10284	45.8
122.06100	4.3
122.09689	11.3
134.96550	3.6
137.05997	6.5
148.59366	3.2
150.09119	25.7
153.05530	6.4
167.07074	4.0
236.12546	3.2
246.15009	3.5
300.19666	11.7
340.41510	3.3
342.21985	6.9
359.24442	50.7
360.24686	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	403.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53336	0.9
55.05511	2.2
56.05025	6.5
56.95064	1.0
58.06599	2.3
62.06097	2.3
69.07053	8.1
70.06583	15.7
72.08147	46.1
74.06075	13.9
74.06431	1.5
75.99969	1.2
84.04079	1.0
84.04492	6.7
84.08160	2.5
86.09699	100.0
88.04038	2.1
96.42472	1.2
101.07141	9.8
110.09714	3.8
110.94037	1.1
112.11227	1.8
128.10699	7.9
129.10284	3.3
135.35823	1.1
143.11812	5.8
155.11868	1.3
168.17703	1.2
171.11378	2.9
173.12859	42.6
175.10825	4.1
181.83673	1.2
185.16689	1.7
192.27332	1.1
194.27689	1.4
201.12347	25.3
203.13882	24.6
203.15591	1.8
229.11925	2.3
233.14970	2.8
244.13078	4.2
269.18863	1.7
283.55679	1.3
314.20798	3.1
403.15659	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	403.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	6.1
56.05018	8.0
58.06596	5.3
60.04528	1.8
69.07058	3.4
70.06582	11.7
70.06898	1.5
72.08147	100.0
72.60883	1.9
74.06068	58.1
84.04490	5.6
84.08126	5.7
85.02881	2.6
86.06078	2.1
86.09171	3.8
86.09694	65.2
87.06511	2.3
98.13397	1.9
101.07116	2.2
116.07102	3.3
120.08086	4.1
126.76170	2.3
129.10179	3.8
132.10204	14.5
135.09161	2.9
143.11792	41.4
143.12828	3.2
154.06870	3.5
154.08693	4.9
169.13443	2.1
171.11273	23.0
187.14395	13.0
197.12794	3.5
201.12349	3.6
215.13948	7.7
233.14952	49.7
245.95448	2.3
254.15230	2.8
257.09457	3.6
272.15942	10.0
300.11469	2.3
314.20761	3.5
359.13248	2.6
385.24347	4.2
403.12723	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	403.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.2
53.43231	2.5
54.06831	2.9
55.01864	6.2
55.05505	31.8
57.03431	16.7
62.78173	2.6
67.05495	94.6
69.07059	36.8
71.04996	11.7
71.08593	2.8
78.04707	3.3
79.05479	30.1
81.03436	3.6
81.07047	100.0
83.04977	9.1
83.08607	17.7
85.06532	6.2
90.06511	3.0
91.05468	37.9
93.07037	55.9
95.04993	11.2
95.08601	64.1
97.06555	11.7
97.10190	11.8
103.05493	9.5
105.03427	7.2
105.07014	28.0
106.18011	3.1
107.04978	8.8
107.08598	28.5
109.06535	7.1
109.10153	47.8
111.08128	3.6
117.07063	7.7
119.04945	5.6
119.08551	18.6
119.92372	3.3
121.06552	3.8
121.10140	25.2
122.03671	6.6
123.04449	3.3
123.08122	4.2
123.11749	11.4
125.46656	3.3
131.04886	20.6
131.08630	14.2
132.05693	18.6
133.02875	13.9
133.06555	7.1
133.10184	12.7
135.11760	12.9
137.05991	20.0
137.09648	4.8
139.11209	6.8
145.10188	14.5
147.04391	6.0
147.11714	11.4
149.06068	6.1
149.09677	9.4
149.13353	4.0
151.11243	5.0
153.09135	5.5
159.11780	9.0
160.05286	7.2
161.06047	10.6
163.11195	8.8
165.05466	30.4
167.07109	9.6
173.11813	8.3
173.13255	7.9
174.64413	3.1
177.05539	11.6
177.12852	4.7
180.07800	6.5
181.08493	3.1
187.13405	4.2
191.07149	8.8
192.07816	38.2
193.05000	13.2
217.08691	3.7
239.17928	3.9
247.20728	4.3
257.19070	6.0
265.21658	4.6
266.66998	3.5
275.20038	51.9
293.21094	80.2
300.09439	3.7
311.22000	6.2
315.08688	4.9
348.48895	3.5
349.23871	5.5
353.10226	10.9
367.24866	10.6
385.25937	10.2
403.26849	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54581	3.8
52.61200	3.7
52.69939	3.9
54.60385	4.4
56.96555	44.1
57.07064	4.7
60.18060	4.0
60.45429	4.9
65.42777	4.4
66.73654	4.2
70.06596	7.6
75.75179	5.3
79.05478	7.5
81.04377	4.4
82.11752	5.1
84.96032	15.7
94.62665	5.2
94.76213	5.0
98.97564	29.0
105.07007	5.5
114.10294	5.7
116.98630	24.9
125.98646	5.7
134.99683	15.1
139.27734	5.7
140.00179	26.4
149.55090	5.7
152.00253	10.9
158.01294	25.0
159.75185	6.0
161.01315	8.8
167.07054	9.3
168.07439	5.4
170.01395	8.0
173.01260	7.6
181.02872	25.7
196.02818	10.6
219.04405	13.6
240.09120	6.5
241.07474	5.8
264.08920	7.6
276.05515	6.5
292.08661	7.2
315.10168	8.7
344.11749	21.5
363.11118	20.4
367.13336	8.5
381.12213	10.4
385.14697	6.4
404.13742	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41104	1.7
58.99563	3.0
60.04506	2.3
70.06571	3.8
72.08152	12.7
73.08469	2.5
73.92349	1.7
76.02221	15.7
77.09496	1.7
77.68730	1.6
84.04504	5.1
85.28455	1.9
86.09332	1.7
86.09711	18.9
88.95967	2.2
97.06522	14.9
107.16915	2.1
117.80733	2.0
130.04994	2.6
135.12999	1.9
155.11877	3.4
157.31662	1.9
162.02211	4.7
165.76361	2.1
179.04854	11.1
200.13954	7.8
202.36195	2.3
242.09984	7.1
287.10986	9.4
366.70377	2.9
404.15231	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	21.0
57.07065	20.2
59.04981	22.8
59.49047	16.6
67.05487	36.8
68.17825	19.3
79.05481	39.5
83.04974	49.2
88.61763	20.2
91.05501	31.7
95.04962	51.2
98.17295	22.0
105.07005	57.1
107.04972	23.0
117.07068	26.4
121.06544	30.5
122.02737	29.3
129.07051	26.0
131.08582	30.4
133.06505	55.4
135.07999	42.4
143.08583	31.8
145.06516	85.5
146.92387	22.3
147.08057	60.3
161.09612	38.5
173.09709	36.1
185.09662	40.7
187.11075	33.9
189.09116	85.9
207.10242	56.8
226.90868	23.4
229.12283	48.0
247.13434	54.8
253.21333	24.1
265.14282	40.7
301.02484	25.1
329.10443	48.4
346.13190	100.0
369.13376	35.8
386.16312	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00087	4.2
56.96562	34.0
59.51841	4.5
66.86928	4.1
67.80576	4.6
71.95264	4.8
77.82699	5.0
80.23259	4.3
92.02051	5.3
98.97576	90.8
106.35551	5.0
113.73869	5.6
116.98615	60.1
122.03676	6.1
125.44971	5.3
134.99640	26.2
137.05963	80.9
140.00177	64.2
141.66011	6.0
144.37254	5.7
158.01233	31.8
181.02826	31.0
226.11221	17.9
235.02686	61.5
244.12195	8.9
252.34818	6.7
253.03877	58.4
267.13736	10.0
275.36505	5.9
276.05429	100.0
386.74136	6.3
404.17484	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58095	0.5
57.21300	0.5
57.45248	0.7
62.06082	100.0
62.92595	0.6
70.06584	2.3
70.36306	0.6
72.08138	1.6
74.06052	0.7
76.44299	0.5
77.31534	0.6
84.04499	0.7
84.08150	2.3
116.07127	0.8
129.10292	0.8
143.47037	0.6
148.47620	0.6
153.75159	0.7
316.23187	0.8
406.15707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29367	2.8
55.05506	8.2
57.07063	5.8
63.11907	3.1
67.05495	9.5
70.06583	24.0
73.83807	3.3
81.07051	11.5
82.06562	4.2
84.45502	3.4
89.38907	3.7
91.05450	7.7
93.07030	14.5
95.04955	8.5
95.08599	8.4
103.05465	6.4
107.04939	6.0
108.08125	3.9
112.11189	4.7
121.06492	100.0
121.07308	6.2
124.15071	3.3
129.98645	3.7
133.06445	7.1
133.10056	4.3
138.09155	21.1
140.14352	12.5
147.08031	6.5
151.03891	6.6
169.18143	4.1
189.71231	3.7
272.16299	6.7
368.25714	7.0
386.26752	10.3
404.27756	31.9
404.35254	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2791
Annotation	Aconasutine
Peak:m/z	Relative Intensity
50.46945	6.9
51.14231	8.1
55.05495	21.8
57.07062	14.4
60.04509	35.4
60.35901	7.9
64.58471	9.1
67.05490	44.4
69.07059	19.3
77.99465	8.0
79.93943	8.7
81.07043	47.2
83.08636	11.3
84.00208	7.6
86.09701	15.8
91.52228	7.7
95.08591	38.2
98.47527	8.5
105.07013	13.8
107.04933	18.1
109.10121	14.8
111.69355	9.6
118.92643	8.8
133.06523	18.5
145.06494	17.7
147.08029	19.1
150.05573	8.6
151.03937	43.6
161.05988	13.9
161.09546	11.5
201.38896	10.2
327.23102	17.7
344.25687	25.0
386.26898	76.0
404.27908	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23764	5.5
55.05508	12.4
55.07227	4.4
56.05032	8.1
60.04237	7.6
60.04518	100.0
66.54682	5.6
67.05493	25.7
69.07072	13.5
70.06573	19.9
79.05477	8.8
81.07051	30.0
83.08599	11.8
91.70986	12.1
91.71529	17.8
93.07043	15.3
95.08597	24.1
96.81593	5.4
104.99269	7.3
108.51648	5.3
109.10146	7.0
113.12984	6.1
119.32941	6.1
121.10179	10.9
121.39284	5.5
137.05963	6.4
240.23138	8.7
240.93576	6.1
244.67076	6.5
282.22580	6.0
342.29974	16.9
355.06125	6.4
386.28897	17.6
404.30106	41.3
404.34937	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	405.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83445	2.6
60.05634	2.7
65.03921	10.4
67.05489	7.9
70.06582	8.5
79.05495	7.0
81.03417	4.2
81.07037	3.9
82.04197	7.4
85.02891	7.7
91.05470	5.9
95.04959	6.6
97.06528	3.0
107.04943	13.5
109.06512	7.7
110.03666	4.6
115.05457	7.1
116.06255	3.0
117.07021	3.1
122.03636	4.3
125.05952	4.1
128.06281	3.8
129.07011	11.4
131.04935	6.4
137.05959	32.5
138.03069	2.9
138.85722	2.9
144.05717	3.2
145.06441	3.4
151.03908	15.4
157.06508	9.9
161.05981	5.7
167.07031	32.4
169.13422	5.2
171.06552	7.9
172.05331	3.5
173.05956	4.5
175.07550	6.0
181.04944	100.0
187.07585	4.3
189.09106	11.5
191.07069	4.0
194.08167	3.6
203.07050	8.6
212.38458	3.3
221.08087	6.5
233.08029	30.9
263.09171	8.9
281.43631	3.2
316.09387	4.3
337.10825	4.3
357.13287	8.5
387.14432	13.8
405.25037	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	405.1542
Annotation	Flustramine H
Peak:m/z	Relative Intensity
55.01861	19.8
55.05518	5.5
65.03915	8.8
70.29560	5.3
72.08150	11.2
77.54704	5.6
78.04694	5.9
79.05470	53.5
81.07047	24.6
82.25997	6.2
83.04966	9.8
85.02892	12.0
89.03897	7.8
90.72536	6.3
91.05470	56.9
95.04948	66.0
97.06545	17.8
103.05453	29.6
104.06244	8.6
105.07011	24.0
106.04202	33.1
107.04938	69.7
109.06506	54.0
111.04433	11.6
111.08055	21.0
119.04922	28.1
121.06516	48.8
124.05185	10.7
125.06004	32.6
131.04915	69.9
132.05688	59.9
133.06474	14.8
134.03581	10.1
135.04407	54.8
137.05928	15.3
139.07532	51.6
148.05168	7.2
149.05948	50.4
151.03867	9.5
151.07480	12.9
152.10674	14.6
153.10262	9.6
160.05220	25.9
161.05966	29.0
163.03912	45.9
163.07523	13.7
165.05431	11.5
167.07016	100.0
177.05431	97.5
179.07085	25.8
180.07820	20.0
181.04826	15.4
191.07045	33.9
192.07765	97.5
193.04982	14.4
194.15317	12.2
195.06487	32.9
207.06529	14.5
233.08086	16.2
405.24896	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1545
Annotation	Flustramine H
Peak:m/z	Relative Intensity
55.01851	1.3
61.51328	0.8
65.03939	2.6
67.05492	4.7
67.38187	1.0
69.62871	0.7
71.56299	0.9
79.16682	0.9
91.05476	1.2
93.03390	1.1
95.04966	2.4
103.05460	2.2
108.02112	2.0
111.04498	1.2
117.07011	1.9
123.04411	2.1
124.69878	1.0
131.04926	5.1
137.05977	2.6
139.03894	2.0
141.05440	3.6
143.04915	2.5
145.06499	2.5
151.03905	100.0
151.04980	6.6
152.04388	1.6
153.05411	1.6
163.07585	1.1
167.07063	3.6
173.05998	2.7
177.05486	1.6
181.04921	2.2
205.08620	1.3
233.05760	1.0
237.78133	1.1
275.10162	1.1
372.84610	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2248
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
57.03437	5.1
67.05490	15.4
81.03420	3.7
81.07047	15.5
85.18055	3.3
91.05499	4.6
93.07039	13.5
95.08604	6.1
104.99262	4.0
105.07025	5.7
105.99640	4.6
106.06790	3.8
107.08572	3.9
121.10145	6.7
127.03346	4.1
127.20136	4.2
131.08524	5.1
133.10255	3.7
169.91898	4.1
226.50912	4.4
405.22333	100.0
405.27203	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	405.2249
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
50.52862	2.3
64.53945	2.6
65.40405	2.4
67.05516	6.3
69.88239	2.4
81.07042	9.3
84.41811	2.7
91.05473	4.1
93.07051	5.9
95.08609	3.9
105.31973	3.1
121.10131	3.3
135.11708	4.0
311.49493	3.2
405.22430	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07058	5.3
57.40546	3.3
58.55244	3.9
61.70060	3.7
63.10729	3.6
72.17880	4.0
84.42692	3.7
91.71093	4.9
94.82835	3.8
104.01053	3.5
147.80716	6.2
329.22186	4.9
393.79962	5.4
405.26093	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2634
Annotation	Lucidone C
Peak:m/z	Relative Intensity
51.64114	12.2
52.01885	14.8
55.01870	19.7
55.05500	46.1
67.05494	95.0
69.03420	29.2
69.07054	29.4
73.97585	16.5
78.49488	14.9
79.05480	78.6
79.83599	15.1
80.32138	17.2
81.03432	24.6
81.07041	98.2
83.04949	22.0
83.08620	15.7
86.17271	15.9
87.24731	14.3
91.00788	13.7
91.05480	95.2
91.70905	21.4
93.07037	100.0
95.08601	77.2
105.07030	93.4
107.08588	56.3
109.06515	23.4
109.10155	23.3
111.04424	35.1
117.07017	54.4
119.08597	68.2
121.10132	34.4
123.08105	19.3
129.06984	37.9
131.08565	66.6
133.10136	53.7
135.07983	19.4
135.11720	30.9
143.08618	31.5
145.10152	54.3
147.11613	33.3
148.30504	17.5
149.13225	28.8
157.10234	19.6
159.11659	45.2
161.09822	25.4
166.95142	18.5
166.99251	18.8
169.10136	23.8
171.11668	20.5
173.13316	26.9
185.13229	27.0
271.62338	17.0
369.24274	57.2
387.25351	44.6
405.26102	98.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2635
Annotation	Lucidone C
Peak:m/z	Relative Intensity
50.66874	20.4
55.05509	37.3
55.09739	18.0
56.41752	19.6
67.05533	91.7
69.03439	55.0
69.07103	34.2
75.42977	21.3
79.05502	29.9
81.03412	29.4
81.07088	100.0
91.05530	71.9
93.07088	35.6
95.08633	64.5
105.07057	59.0
106.60804	24.0
107.08625	44.4
109.10208	30.8
117.07056	31.7
119.08626	37.4
121.10152	28.3
133.10172	40.3
161.13412	25.2
173.21466	25.1
369.24570	57.3
387.25525	44.3
405.26801	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56648	2.1
55.05507	39.2
56.96556	2.8
57.03442	8.9
57.07072	8.1
67.05492	46.6
69.07058	71.6
69.07417	3.7
71.04977	6.3
79.05489	17.2
81.07043	67.5
83.08610	43.3
85.06545	5.8
91.05496	12.7
93.07026	25.7
95.05029	2.6
95.08593	63.2
95.09145	4.7
97.06548	8.2
97.10158	34.8
97.10740	3.1
99.08096	4.0
105.07035	14.2
106.11240	2.7
107.08591	15.0
109.10149	26.6
111.08089	4.3
111.11758	11.2
111.88842	2.8
117.05526	3.6
119.08611	10.8
120.13987	2.7
121.10143	21.4
123.11738	12.1
125.09635	3.6
125.13350	5.0
131.40910	2.8
133.10118	16.0
135.11655	18.2
137.09557	3.8
137.13339	3.9
141.37486	2.6
145.55463	2.7
147.11734	10.1
149.13217	3.0
153.12802	5.9
161.13307	11.5
165.12891	4.1
175.14890	8.8
179.14308	4.9
217.19469	14.3
235.20607	19.5
253.21832	11.2
307.68018	3.3
309.24329	9.8
327.25256	100.0
387.27466	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	405.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99273	1.7
54.39666	1.5
55.05504	34.6
57.03427	9.3
57.07058	5.9
62.04807	1.9
62.60721	1.9
66.41775	2.0
66.47942	2.0
67.05175	3.2
67.05499	45.4
69.07059	71.9
71.04973	4.3
71.08624	4.3
76.77222	2.3
79.05482	15.7
81.06596	4.5
81.07049	64.3
83.04963	5.8
83.08611	39.8
85.06550	5.7
91.05477	14.3
91.71151	4.1
93.07031	27.1
95.08598	60.5
97.06507	6.8
97.10165	28.6
99.08072	2.6
105.07030	15.2
107.08588	17.0
107.33302	2.2
109.10160	24.4
111.08096	4.2
111.11729	9.1
113.09621	2.5
117.05463	2.5
119.03842	2.0
119.08582	11.8
121.10114	21.2
123.11710	9.5
131.08554	2.4
133.10126	18.1
135.11693	18.1
137.09604	4.1
137.13261	6.4
139.11209	5.2
147.11714	13.9
149.13249	4.4
151.11217	3.6
151.14769	4.6
153.12823	2.8
161.13245	10.0
175.14926	4.7
179.14339	3.8
217.19505	16.3
235.20633	16.7
241.53648	2.3
249.89844	2.5
253.21674	7.4
309.24286	8.4
313.13977	2.2
327.25259	100.0
387.27353	8.8
404.00830	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	406.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24974	5.4
54.30119	6.6
56.96554	100.0
58.61319	6.7
71.86703	5.6
84.96008	12.9
88.06380	8.4
97.99165	7.4
98.97573	30.6
110.97575	6.5
116.98597	28.6
128.73984	7.2
128.98592	8.3
134.99634	8.6
140.00198	27.8
145.01704	13.2
158.01231	26.6
168.03293	13.2
170.01254	15.9
172.19638	6.9
174.94221	7.2
181.02878	23.4
193.02856	11.5
226.05399	8.3
267.08893	9.2
290.10593	16.5
305.10400	7.8
316.12180	31.0
323.11438	11.1
328.12088	8.7
334.13239	9.8
335.11630	15.4
346.13431	17.3
364.14191	10.1
365.12677	78.1
376.14560	49.9
387.16064	10.2
406.15277	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.8
56.05019	7.1
57.03423	7.2
58.99582	19.2
69.07058	3.4
69.24123	2.1
73.01136	2.3
74.00667	2.8
75.27418	2.2
76.02219	27.2
76.04002	3.4
79.05492	6.2
80.05002	2.4
80.96976	2.1
81.07059	25.0
83.06081	2.9
84.04494	36.7
84.74679	2.1
85.01123	4.7
86.00664	3.8
86.99053	5.4
87.02694	6.8
90.19495	2.4
95.08568	2.9
96.53555	2.7
98.09696	15.2
99.08081	4.9
102.05547	6.4
102.20598	2.3
110.09665	5.0
112.03958	4.9
113.04203	6.3
116.01694	22.8
123.08017	2.9
127.05788	3.0
129.06564	2.9
130.05022	7.6
130.06876	2.9
139.05762	3.1
144.01173	5.6
151.44662	2.6
156.08405	19.9
156.10170	14.1
157.06825	11.2
162.02174	20.8
174.09428	17.1
179.04877	10.5
216.06845	8.0
232.59949	2.5
259.11102	100.0
313.11871	3.3
331.13315	5.8
370.61496	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	406.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34377	0.8
59.40601	0.8
61.02951	0.8
69.03432	2.7
77.86082	0.9
78.04760	1.0
81.03425	1.5
85.02896	10.3
91.05480	0.9
91.71082	2.0
97.02900	1.4
107.04972	1.9
111.04469	2.8
121.06522	1.7
123.04447	2.3
125.06023	1.6
127.03958	1.1
149.06026	1.5
151.03970	1.9
152.04704	1.5
154.27182	1.0
166.06386	1.6
167.07024	100.0
169.05022	2.7
175.16202	0.9
177.05539	2.2
181.08595	4.7
183.97104	1.1
209.08081	28.4
227.09119	31.2
396.19650	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58373	0.8
51.93498	0.9
54.21170	0.7
55.05492	1.2
59.62822	0.8
65.03924	1.4
67.05505	6.0
69.07037	3.5
81.07053	5.9
83.08630	2.1
91.05470	8.5
95.08586	8.5
109.10152	4.2
111.11761	1.0
119.04934	24.0
123.11691	1.5
137.13217	1.4
147.04405	100.0
165.05469	42.0
165.06895	1.9
168.65990	1.1
201.87769	0.9
207.21126	1.7
239.92000	1.3
294.85864	1.0
414.14120	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0155
Annotation	Unknow
Peak:m/z	Relative Intensity
62.07271	6.1
64.73315	6.6
87.21408	6.5
112.06828	5.6
112.56123	7.2
134.99925	8.4
177.00931	82.4
200.02519	59.5
201.00887	8.4
205.00385	38.8
211.02473	6.6
213.00929	14.0
219.02042	35.9
223.04103	28.7
224.02489	16.1
228.01944	32.0
231.01926	41.5
236.02597	29.0
242.03601	40.1
247.01460	9.3
251.03612	19.3
252.01990	12.4
254.03546	40.6
263.01123	16.3
265.05209	22.1
268.01517	20.7
277.05127	27.4
280.01559	20.5
280.32056	8.3
286.02618	10.7
291.03082	14.0
298.02481	16.7
309.04327	7.2
321.04147	12.9
322.02344	9.9
324.00772	10.7
340.03873	12.5
342.01498	12.0
351.99860	8.3
370.01074	28.4
370.99319	14.5
389.00555	21.2
393.02780	35.4
407.01566	7.4
412.02029	100.0
430.03003	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02872	1.9
56.05017	7.4
68.44115	2.2
71.08757	2.1
74.37550	2.5
83.06110	22.4
84.04498	100.0
86.06061	35.0
101.07137	84.4
103.05513	3.4
110.78197	3.1
114.05524	59.0
120.08095	47.3
121.24803	2.5
129.06607	4.0
131.08176	9.5
166.08644	10.0
180.21631	3.1
186.09186	3.8
187.92999	3.4
230.32828	3.1
231.11255	5.8
242.11162	13.8
276.13446	15.6
277.11728	15.1
294.14450	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	407.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58724	3.1
56.05011	5.2
57.03442	3.9
64.75264	3.5
69.07059	17.7
70.06583	8.0
71.05573	3.5
72.08149	6.7
79.05489	3.5
80.94975	3.7
81.07077	5.7
82.07344	3.7
83.05646	5.7
83.06099	69.7
84.04499	85.0
84.08125	10.7
85.02894	8.1
86.09698	91.5
93.07061	4.9
101.07117	12.0
106.19984	3.7
120.08092	100.0
129.06577	34.0
130.98431	4.0
151.78429	4.2
152.10738	7.6
166.08646	64.1
169.13326	12.8
196.14426	55.0
197.12869	28.5
214.15523	29.6
224.13965	16.5
225.12312	4.8
242.14990	14.5
359.82578	4.7
389.21902	20.7
407.21729	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	407.2793
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
55.05504	30.8
55.75079	7.1
57.07073	9.1
67.05499	100.0
69.07054	66.6
79.05473	25.2
81.03406	8.9
81.07048	93.6
83.08595	11.9
91.05507	12.3
91.71021	9.4
93.07043	35.1
95.08604	69.5
97.06543	10.0
105.07036	23.2
105.94412	9.2
107.04922	53.8
107.08592	12.5
109.10192	26.7
111.06450	8.4
111.08078	8.9
115.05439	12.7
119.08581	15.8
121.06482	14.0
121.10065	10.6
123.11734	18.0
131.04901	9.7
133.06462	92.6
135.04428	17.2
143.02995	9.1
145.06480	56.5
147.08046	73.7
149.05965	10.4
151.03917	40.2
157.06500	35.4
159.08040	19.5
161.06000	27.3
173.09653	13.8
174.53552	9.5
175.01068	10.1
179.06898	10.6
185.09744	12.7
191.07095	11.6
199.11113	17.0
201.12724	12.7
255.01604	8.9
271.33096	11.9
272.73038	10.0
275.41980	9.6
316.85718	9.9
343.26483	13.9
353.24844	33.3
371.25784	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17924	4.2
56.85716	5.5
66.35120	5.0
87.98949	4.9
96.47092	4.7
119.01929	13.2
125.03645	5.6
165.05110	8.1
174.18942	6.0
177.00992	19.7
200.02576	20.2
217.04001	6.7
219.02057	32.1
223.04250	6.3
225.00955	9.5
242.03542	16.4
243.02007	13.0
247.71736	5.0
261.03058	74.6
265.05139	14.7
266.03448	27.1
284.04633	100.0
307.06204	89.5
308.06479	11.9
317.95554	5.8
334.34732	6.1
367.02316	11.2
385.03375	11.3
403.04507	8.1
408.04834	32.3
426.05804	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61817	6.0
55.96853	4.7
60.08154	27.4
60.08385	4.0
64.86317	4.8
67.04224	45.0
70.54946	4.9
76.35511	5.4
82.60381	4.9
83.06553	5.1
84.93216	4.9
86.00703	5.8
89.06791	4.4
91.71008	7.5
100.72617	6.0
113.01717	20.5
114.13789	6.4
125.01691	55.2
126.02421	10.9
127.03277	42.1
135.04462	8.8
136.05193	21.8
141.01152	11.6
142.02039	6.0
143.02756	62.4
146.03394	5.3
208.78842	6.6
227.08121	15.6
247.42525	6.7
261.06845	26.6
277.06424	56.7
287.05209	6.9
303.04272	25.1
305.05899	32.2
321.05310	53.5
349.04883	100.0
358.12051	5.9
399.95831	6.8
404.06985	7.0
433.06470	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	408.2128
Annotation	Glu-Ile-Phe
Peak:m/z	Relative Intensity
58.50781	1.7
62.71734	1.8
67.05492	1.9
69.03409	1.7
69.07061	13.0
70.06588	4.0
71.05007	1.8
71.45331	1.6
81.07041	2.3
83.04988	1.8
84.04497	39.7
85.02894	5.4
86.09695	100.0
91.05492	2.4
102.05536	17.5
103.05421	2.2
105.07026	2.5
120.08095	63.6
125.54673	2.4
129.06575	11.3
130.04962	2.0
131.05011	2.1
132.10228	5.8
145.10045	2.8
152.10710	2.7
166.08621	36.1
170.11723	9.8
171.46530	2.2
197.12839	16.1
215.13875	41.2
225.12445	6.0
225.60965	2.1
231.11362	3.1
243.13432	11.8
249.12282	2.7
294.69193	2.7
408.20224	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	408.3107
Annotation	Asmarine J
Peak:m/z	Relative Intensity
55.01867	4.1
55.05502	5.4
55.23981	2.2
57.07066	4.8
67.05489	9.0
68.23643	2.4
69.07058	10.0
70.06583	38.7
70.08066	2.1
77.42748	2.8
79.05484	6.0
81.07052	7.1
82.06580	3.1
82.58237	2.3
83.08627	4.9
84.08132	8.4
85.02899	5.7
91.05477	4.7
91.71127	3.4
93.07044	8.2
95.04958	13.9
95.08605	4.4
97.10184	3.9
99.92618	2.9
103.19448	2.4
103.82199	2.8
105.07024	44.9
107.04935	4.2
107.08575	3.2
109.06480	2.7
109.10160	3.1
110.06020	8.0
111.08102	2.8
112.07644	6.7
113.77905	2.7
115.05431	4.9
120.96551	2.6
121.10154	3.0
133.06453	20.0
137.05965	4.0
138.05473	15.3
139.03902	2.6
148.09647	3.7
151.07579	13.9
152.07111	2.9
154.08658	14.8
156.06580	7.3
156.22395	3.3
161.05960	6.4
179.07062	21.9
180.06563	4.1
237.22234	3.1
275.33496	2.8
297.19208	2.5
299.01001	3.0
315.66818	2.8
358.77798	2.9
373.27441	4.0
391.28629	7.3
408.31131	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
60.81402	6.4
70.08241	5.9
78.21134	7.2
82.88572	7.9
100.02467	13.5
101.00897	23.9
108.00583	7.3
114.88737	8.2
116.41575	8.1
119.01917	67.9
124.02478	15.7
126.05832	8.4
127.02411	10.0
131.01936	31.7
142.03455	45.1
143.01894	75.2
145.03494	23.0
154.03511	23.1
155.01894	45.9
157.03484	24.7
161.02962	38.6
165.05125	30.6
166.05136	7.5
168.05083	11.6
173.02885	38.4
177.05089	14.0
177.39795	8.0
179.00700	11.2
180.05020	15.9
184.04547	97.4
185.02939	7.8
196.04518	100.0
198.02551	9.3
203.04027	18.9
208.04597	16.9
217.01915	19.1
221.05127	22.2
225.03925	8.7
226.05672	19.2
228.03596	11.0
238.02254	10.4
239.06111	32.9
240.03485	20.6
244.06767	44.7
262.07681	21.8
263.06146	42.2
269.93707	8.3
275.06137	36.5
285.09186	19.2
289.00397	48.6
289.03680	10.0
291.05667	10.9
303.05688	13.5
307.04950	65.2
319.01624	13.4
319.04761	49.8
330.03064	55.2
342.03107	12.7
342.06848	22.0
348.03818	15.7
349.02597	42.3
360.03970	12.2
363.04593	10.4
409.04547	94.3
414.02209	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82489	6.3
55.05500	11.5
57.07061	17.2
67.05486	9.9
71.78381	7.2
72.68938	7.8
79.05472	14.4
83.01341	9.7
83.08607	14.1
91.05476	15.3
95.08586	33.1
105.07082	13.6
107.05004	8.5
109.81166	8.1
113.09694	21.2
119.08601	15.4
120.75443	7.6
128.06223	13.4
131.08560	11.1
143.08629	9.8
147.08047	9.5
157.10086	24.4
159.08037	13.1
159.11584	8.3
159.26787	8.3
161.06071	9.4
169.10091	15.3
171.08130	10.5
180.09282	8.8
185.09615	17.7
197.09595	12.1
202.19319	8.4
209.09752	10.4
213.09225	12.6
217.46422	9.8
225.12727	11.2
227.10709	18.9
227.14336	18.8
237.12766	11.8
243.13655	10.0
245.15240	10.4
249.07532	16.0
253.12169	16.6
271.09949	12.4
271.13248	20.8
273.11255	11.5
281.11679	22.2
289.14096	13.8
299.12793	17.8
301.13950	10.9
317.14078	22.4
319.15558	16.1
327.12158	25.4
345.13339	63.2
347.15125	12.8
363.14511	22.6
373.12833	25.1
391.13779	18.0
409.15024	41.7
427.15924	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07053	100.0
61.68162	19.9
63.56244	22.3
68.71845	22.4
80.08562	22.9
81.07057	25.8
91.05497	38.4
95.08580	35.4
102.41823	21.7
105.07054	40.3
106.76971	22.2
121.06470	27.0
131.08528	30.2
159.08037	54.3
163.07504	35.5
169.06488	29.7
171.08113	32.2
187.07568	42.8
191.06976	38.3
199.35907	29.4
215.07159	64.0
215.14325	24.9
243.13727	36.3
269.82379	24.8
271.13116	36.1
289.14224	47.2
293.06485	34.7
317.13910	67.2
335.14703	66.9
409.14645	41.9
427.16043	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1489
Annotation	Vilmorinine A
Peak:m/z	Relative Intensity
55.05505	8.8
57.03424	6.9
57.07066	18.0
59.04979	4.3
67.05489	5.9
69.03408	13.1
69.07048	7.7
72.58546	4.9
78.03743	5.6
79.05489	14.5
81.74835	4.7
83.01330	15.6
91.05474	19.2
91.71592	6.5
93.07057	11.6
95.04953	8.8
95.08605	37.7
95.42388	4.4
97.06572	5.8
105.07027	18.0
107.04965	9.3
107.08593	9.8
111.08063	17.0
112.31273	4.9
113.09641	19.3
117.07001	7.7
119.04972	6.9
119.08578	15.8
121.06493	8.9
129.06987	17.5
131.08545	15.9
133.06531	10.6
133.10126	5.7
141.06992	9.7
143.08525	16.8
145.06503	14.6
145.10027	9.6
147.04420	13.0
147.08041	8.5
151.06537	5.9
155.08604	12.1
156.09422	10.0
157.06572	7.2
157.10127	23.3
159.04442	7.4
159.07999	8.2
159.11656	10.2
161.05899	8.9
161.09691	5.9
166.07794	5.4
167.08592	7.6
169.10110	21.0
170.07298	6.5
171.08032	13.6
171.11707	9.4
173.06004	11.0
173.09642	19.1
181.10051	6.9
183.08058	9.1
185.09642	17.2
187.11241	16.0
194.11000	9.8
195.08017	7.2
197.09608	21.6
197.13210	7.9
198.90146	5.2
199.11241	14.3
201.09105	16.6
203.07030	10.5
203.10664	11.0
209.13257	10.2
210.10463	6.7
213.09059	10.0
215.10611	9.3
217.08549	6.7
225.09119	10.9
225.12737	13.9
227.10640	14.6
227.14198	12.2
229.08594	9.4
229.12297	5.8
235.11211	6.2
237.12764	15.3
241.08574	5.8
243.10217	11.7
243.13748	11.5
245.15588	6.9
249.07655	20.5
253.08902	7.1
253.12230	20.3
255.13820	23.0
263.10596	7.9
265.12207	6.4
271.13266	24.5
273.11264	9.1
281.11737	21.7
283.13263	11.6
289.14432	8.7
299.12668	26.7
301.14297	15.8
309.11328	9.1
317.13858	28.2
319.15564	12.7
327.12183	24.7
329.13959	12.3
335.14929	7.4
345.13254	68.4
347.14923	14.2
363.14365	24.4
373.12714	24.8
391.13721	15.3
409.14761	45.7
420.11102	5.7
427.15924	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81084	15.7
56.67394	19.3
57.07059	42.9
59.05003	19.9
60.42316	16.4
61.35009	17.0
67.05487	20.8
91.05470	26.9
95.08606	29.2
105.07058	25.5
115.05441	23.2
128.14752	19.6
129.07008	29.6
141.07004	29.0
143.08661	21.0
145.10141	22.9
157.10139	29.2
159.08075	41.4
169.10179	28.5
173.09607	26.1
194.11034	25.3
197.13367	22.4
207.11633	29.1
225.12952	35.3
226.22545	27.6
253.12280	45.1
281.11703	43.3
299.12808	40.8
335.15054	52.3
345.13324	100.0
363.14511	44.3
387.94208	26.1
409.15097	43.7
427.15952	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1852
Annotation	Macrocliniside C
Peak:m/z	Relative Intensity
55.17545	4.1
57.07057	6.0
57.55516	4.1
67.05491	6.9
69.03417	13.5
79.88136	4.7
84.08130	16.9
85.02893	42.2
91.05451	8.0
93.06998	12.3
95.08577	8.4
97.02867	17.5
102.34617	5.6
105.99156	5.6
107.04969	8.2
131.08562	9.0
135.04475	9.3
141.07013	7.7
148.75804	6.7
159.08037	13.6
161.05945	6.5
171.11658	6.9
187.07477	36.1
217.12195	15.1
229.12286	17.8
247.13255	100.0
253.12189	7.1
276.08603	6.5
295.94775	6.0
409.18536	48.1
427.15823	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	409.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	9.6
58.41067	6.2
59.04996	21.2
61.02912	6.4
65.07520	6.5
69.03411	26.9
70.80120	6.4
71.04990	9.0
72.08136	35.7
81.03394	8.3
82.86130	7.0
84.08112	10.9
85.02897	100.0
86.09687	8.5
91.05454	19.4
95.08633	11.4
97.02890	36.0
99.04432	8.8
105.07013	16.0
121.06458	7.9
127.03946	19.8
143.08536	9.2
145.04951	24.8
145.06433	9.8
151.18544	8.1
159.08034	19.2
161.09644	9.3
176.43488	8.5
185.09546	11.2
187.07602	17.5
189.09148	36.6
200.90114	7.8
229.12228	71.2
247.09395	85.9
247.13312	23.1
256.38120	8.0
389.23953	9.6
389.28888	9.2
409.14734	51.7
419.33423	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	409.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95761	1.2
55.20235	1.1
66.25575	1.3
70.06574	4.2
72.08138	4.2
74.99928	1.2
91.05499	2.4
104.62843	1.4
115.05451	3.0
116.44644	1.8
118.06538	25.5
120.08099	2.4
130.06583	3.3
132.08107	4.4
143.07333	3.3
144.08084	15.1
146.06007	70.6
159.09187	4.4
170.06036	4.4
188.07062	100.0
205.09702	39.7
205.11479	2.4
242.07069	1.9
248.76729	1.4
287.01242	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	409.256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65740	2.2
55.05503	5.0
56.51015	2.3
56.96567	3.0
57.07072	5.3
61.92772	2.7
66.78238	3.0
67.05493	4.3
69.03423	3.0
71.06644	2.5
81.07021	4.0
92.87509	2.9
93.06995	3.6
95.08602	6.5
105.06971	5.2
112.39955	3.2
119.08578	4.6
131.08505	3.1
157.10158	4.6
159.11751	3.5
223.03363	3.7
249.07617	4.6
283.12900	3.5
299.12845	4.5
309.17245	15.1
327.18680	4.2
345.13297	6.3
350.20154	17.6
363.14215	4.2
373.12878	6.0
374.08456	3.8
409.25595	100.0
427.16016	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	409.256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20821	1.4
56.96563	4.8
57.07080	1.5
67.05471	1.9
71.40794	1.6
81.07047	3.8
83.01315	1.9
91.05491	3.5
93.07047	3.0
93.08245	1.6
95.08620	4.3
105.07094	1.8
119.04953	1.8
131.08638	2.3
139.54790	1.9
157.10152	2.9
159.11649	2.6
169.10133	1.9
187.07561	2.2
249.07597	3.0
308.24103	2.0
309.17313	6.1
345.13327	5.4
350.20200	14.4
409.15067	4.9
409.25592	100.0
427.16003	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	409.256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20821	1.4
56.96563	4.8
57.07080	1.5
67.05471	1.9
71.40794	1.6
81.07047	3.8
83.01315	1.9
91.05491	3.5
93.07047	3.0
93.08245	1.6
95.08620	4.3
105.07094	1.8
119.04953	1.8
131.08638	2.3
139.54790	1.9
157.10152	2.9
159.11649	2.6
169.10133	1.9
187.07561	2.2
249.07597	3.0
308.24103	2.0
309.17313	6.1
345.13327	5.4
350.20200	14.4
409.15067	4.9
409.25592	100.0
427.16003	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	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81613	4.1
55.05518	15.2
57.07068	14.2
58.99379	5.4
65.03941	6.6
67.05214	4.6
67.05517	25.0
69.03443	8.9
69.07063	12.4
70.73537	5.0
70.90824	4.5
71.08643	7.1
79.05488	26.8
81.07047	64.5
82.62215	4.7
83.05012	6.2
83.08737	5.3
85.06548	6.0
91.05474	39.7
91.71022	6.2
93.07044	58.9
95.04967	47.3
95.08602	34.6
97.06544	7.3
102.85973	6.0
105.07021	100.0
107.04994	5.9
107.08624	25.9
109.06561	9.3
109.10184	15.8
117.07030	18.5
119.08569	65.5
121.06557	20.1
121.10135	12.3
123.08105	23.3
129.07031	11.0
131.08571	31.6
133.06575	16.0
133.10175	18.1
134.26299	6.5
135.08090	16.7
137.09642	12.2
142.07819	16.0
143.08591	15.1
145.10133	36.3
147.08089	17.0
147.11632	27.3
149.09601	7.6
151.03990	7.1
151.07561	11.8
155.08594	9.6
156.09381	7.0
157.10191	18.3
159.11774	15.7
161.09622	11.2
165.09105	30.8
167.08562	5.4
169.10143	11.8
171.11745	8.7
173.13307	7.3
175.11223	22.6
178.82439	6.9
181.10156	6.6
183.11844	6.8
213.43791	5.4
221.15317	48.8
234.16241	8.5
303.83008	6.9
331.26617	7.4
377.03714	7.1
409.27310	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	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.2
55.05495	21.9
57.07051	11.5
67.05499	41.2
69.07056	17.6
71.97359	4.9
79.05472	21.3
81.07052	52.9
81.50242	4.7
85.06506	9.9
91.05465	40.4
93.07036	56.7
95.04967	56.7
95.08609	35.9
97.06530	9.1
105.07033	100.0
107.04938	9.4
107.08597	33.8
109.06500	11.0
109.10182	10.7
117.07024	16.9
119.08563	75.9
120.47683	6.0
121.06526	19.0
121.10121	20.1
123.08118	9.3
129.06990	6.9
131.08580	20.4
133.06522	6.8
133.10107	22.8
133.50122	4.5
135.08043	13.2
137.09564	8.0
142.07813	13.7
143.08554	15.3
145.06525	6.5
145.10112	34.8
146.80074	6.5
147.08037	16.2
147.11671	39.0
149.09627	5.6
150.88615	6.2
151.07558	14.9
155.08595	9.7
157.10127	16.6
159.08102	6.9
159.11641	13.8
161.09642	7.6
163.11156	5.7
165.09079	25.1
171.11719	7.8
173.13263	13.9
175.11179	21.8
179.08485	6.3
183.11803	10.0
187.11131	5.3
189.12701	7.6
196.12437	5.7
201.12613	5.8
203.14265	8.3
207.13989	5.4
211.14742	6.5
221.13321	8.5
221.15315	56.9
229.15750	6.3
234.16217	7.2
399.32120	5.6
409.27393	24.6
409.32745	10.8
427.15872	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	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81613	4.1
55.05518	15.2
57.07068	14.2
58.99379	5.4
65.03941	6.6
67.05214	4.6
67.05517	25.0
69.03443	8.9
69.07063	12.4
70.73537	5.0
70.90824	4.5
71.08643	7.1
79.05488	26.8
81.07047	64.5
82.62215	4.7
83.05012	6.2
83.08737	5.3
85.06548	6.0
91.05474	39.7
91.71022	6.2
93.07044	58.9
95.04967	47.3
95.08602	34.6
97.06544	7.3
102.85973	6.0
105.07021	100.0
107.04994	5.9
107.08624	25.9
109.06561	9.3
109.10184	15.8
117.07030	18.5
119.08569	65.5
121.06557	20.1
121.10135	12.3
123.08105	23.3
129.07031	11.0
131.08571	31.6
133.06575	16.0
133.10175	18.1
134.26299	6.5
135.08090	16.7
137.09642	12.2
142.07819	16.0
143.08591	15.1
145.10133	36.3
147.08089	17.0
147.11632	27.3
149.09601	7.6
151.03990	7.1
151.07561	11.8
155.08594	9.6
156.09381	7.0
157.10191	18.3
159.11774	15.7
161.09622	11.2
165.09105	30.8
167.08562	5.4
169.10143	11.8
171.11745	8.7
173.13307	7.3
175.11223	22.6
178.82439	6.9
181.10156	6.6
183.11844	6.8
213.43791	5.4
221.15317	48.8
234.16241	8.5
303.83008	6.9
331.26617	7.4
377.03714	7.1
409.27310	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	409.2947
Annotation	Haemulcholate
Peak:m/z	Relative Intensity
55.01877	33.3
55.05516	57.8
57.07076	46.3
67.05499	100.0
69.07066	68.6
71.04968	16.2
71.08621	20.8
79.05515	58.9
81.07044	100.0
83.01346	20.3
83.08646	39.8
91.05487	33.9
93.07069	52.6
94.01837	14.9
95.04952	17.9
95.08594	92.9
97.10173	34.7
105.07047	29.9
106.76037	11.8
107.08637	34.9
109.10194	49.6
111.11761	13.1
117.07083	14.4
119.08610	27.4
121.10174	28.7
123.11722	14.7
129.01897	39.3
131.08633	21.7
133.10114	18.0
135.11664	17.5
145.10089	13.4
147.08083	17.4
283.04025	16.8
373.27750	19.4
391.28409	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	409.2949
Annotation	Cholic acid
Peak:m/z	Relative Intensity
54.82191	12.7
55.05508	35.8
57.07062	63.5
63.22927	15.1
67.05489	81.2
69.07052	72.3
70.85692	20.6
71.08626	36.7
79.05471	16.9
79.76942	20.0
81.07043	91.2
83.08599	21.0
90.69241	17.0
91.05461	32.3
91.11554	19.1
93.07034	40.6
95.04961	22.4
95.08632	45.2
97.10130	16.3
105.07039	64.3
107.04949	71.8
107.08597	30.8
114.59595	17.9
117.63415	19.4
119.08587	43.2
121.10167	34.8
123.11671	31.5
128.87697	17.6
131.08798	21.0
133.06490	98.6
133.10123	26.5
138.27411	16.8
141.25652	16.5
145.06487	84.6
147.08051	63.8
147.11743	22.4
151.03932	98.6
159.07986	40.9
173.09604	27.2
201.12794	23.3
218.31328	21.5
288.57059	22.2
293.11368	22.5
345.27908	21.4
373.27267	100.0
391.28387	26.1
414.46677	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	410.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.1
55.01866	5.4
57.03419	5.1
61.02920	6.0
63.58402	1.8
67.05476	2.6
69.03422	24.2
70.06575	7.7
71.04980	5.8
71.08621	34.8
73.02909	7.1
77.19388	2.3
78.40747	2.2
81.03415	23.2
85.02898	61.7
87.00819	16.2
91.03937	2.7
91.71014	4.3
97.02888	28.3
99.04456	12.5
99.08092	28.5
105.01860	28.6
109.02873	20.9
122.42263	2.5
126.05474	3.1
127.03920	42.3
127.11192	35.4
145.04942	13.9
145.12227	100.0
147.04369	2.4
153.67007	2.7
159.02908	8.8
166.08589	2.5
194.00951	2.7
194.46956	2.5
199.60243	2.5
213.03835	3.4
231.04987	7.8
281.47711	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	410.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	4.6
53.30690	4.5
54.39730	3.4
55.01848	8.6
61.96234	4.3
63.36353	4.3
67.05490	17.0
69.03426	35.3
69.95844	4.1
71.04978	6.0
73.02901	8.3
81.03429	24.3
83.01377	4.4
85.02898	100.0
85.06540	5.4
87.00822	14.9
91.71064	5.7
95.82851	4.7
97.02882	21.9
99.04446	11.4
101.32545	5.5
105.01871	32.2
109.02891	35.2
109.10157	15.6
110.55795	5.2
126.04761	4.3
127.03915	60.8
127.11179	6.0
145.04988	20.7
145.12225	9.6
147.04463	22.1
151.35091	4.4
159.02924	16.2
172.61926	5.4
231.05042	10.9
231.79440	6.1
358.94806	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	410.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24911	3.1
56.82743	3.0
57.06843	4.2
57.07068	51.6
71.08620	28.0
73.06540	6.4
85.10159	24.3
89.06021	100.0
91.07455	3.9
97.10155	4.6
102.59236	3.2
108.14844	4.2
130.08647	9.8
133.08603	41.7
134.24489	4.3
146.59981	3.8
151.09741	5.9
177.11197	12.6
222.47461	4.1
239.14944	22.2
275.33817	4.1
295.23431	4.5
309.21259	4.9
393.32327	18.6
426.94919	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	411.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	10.4
65.10701	12.1
71.88319	12.1
72.34441	11.7
78.17260	13.0
78.87967	11.6
79.01280	11.2
84.08125	21.0
91.71017	21.3
95.68543	13.3
122.46785	13.7
137.05930	14.9
175.07625	14.7
186.63707	15.0
231.14027	19.5
249.05135	82.1
249.27791	13.7
295.86414	17.1
297.62195	16.2
348.23206	15.3
387.97134	15.6
410.91846	18.0
411.09799	25.8
411.14499	46.6
411.19254	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78423	5.0
59.89604	5.9
63.68533	5.5
63.77501	5.0
70.31038	6.3
82.06580	8.8
84.08135	34.5
96.26355	6.4
103.25988	6.2
108.63995	6.3
148.40491	6.8
149.74672	8.0
159.11583	6.8
203.24539	7.2
411.12555	100.0
411.19846	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1649
Annotation	Bruceine D
Peak:m/z	Relative Intensity
51.26946	26.4
52.50187	29.4
56.93447	27.7
57.07063	100.0
57.72387	26.1
60.99607	24.9
65.13441	24.9
69.03406	48.2
70.79746	27.2
81.85552	27.5
83.01351	45.2
83.08630	28.1
93.07024	46.9
95.04971	31.3
111.04429	31.2
127.99502	28.8
131.08527	40.7
133.06471	37.4
161.05954	45.4
171.08144	63.6
181.27974	40.1
217.08667	34.9
243.48320	36.0
261.11185	55.7
304.05005	35.3
319.15311	48.7
347.14606	59.1
361.54480	37.2
375.14667	51.4
393.15411	63.6
411.10477	79.9
411.15918	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	411.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31480	5.8
55.05493	15.4
57.07070	82.4
58.06552	6.2
67.05481	17.1
69.07043	11.3
79.05492	21.7
79.99252	7.2
81.07056	45.4
83.04977	19.8
85.06541	40.7
88.14229	7.0
91.05482	48.0
93.07040	32.8
95.04963	25.3
95.08610	26.5
105.07034	55.4
107.04978	10.6
107.08586	17.5
109.06525	61.0
111.08107	7.4
113.96833	7.5
117.07039	14.6
119.08572	78.8
121.06513	21.5
122.03674	8.1
128.06229	10.8
129.06992	21.2
131.08577	22.4
133.02792	10.2
133.06558	12.5
133.10139	18.2
135.04388	8.1
135.08057	10.9
137.05981	58.2
137.09653	9.7
141.07050	7.8
143.08571	28.7
145.10159	9.8
147.08060	68.3
152.27327	8.4
157.76947	8.4
161.09637	18.2
163.03854	37.1
171.11655	12.9
173.02356	31.1
175.14783	14.9
185.13274	16.1
187.11194	8.7
189.12794	17.8
191.03323	21.0
201.05563	14.1
203.14316	52.3
213.12782	13.8
216.12222	8.6
219.18411	8.3
231.13760	57.1
233.15353	52.4
243.13716	9.8
246.32591	9.1
248.08176	9.7
271.05920	9.9
293.11353	8.8
314.48007	9.6
327.16019	13.7
333.95370	9.4
370.70499	9.6
375.15750	17.6
381.20386	9.2
393.16913	100.0
411.17737	14.0
421.74289	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	411.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	73.8
59.59211	5.8
67.05496	14.8
78.74284	6.2
79.05475	25.6
81.07050	92.8
83.04969	8.9
85.06525	26.6
91.05462	33.5
91.71113	8.4
95.04964	23.1
95.08615	15.2
97.79057	9.0
103.09841	8.0
105.07051	38.2
107.04959	26.2
109.06518	100.0
111.58932	7.1
117.03442	8.7
117.06940	8.4
119.08582	17.0
121.06516	10.6
123.04508	8.0
129.07016	19.6
131.08569	20.5
133.02863	24.4
133.06517	13.4
135.04475	10.5
135.08116	7.7
137.05957	10.8
137.09612	20.5
143.08534	10.7
145.02859	8.4
147.08015	33.0
148.08873	12.3
149.09633	19.7
159.07961	7.5
161.02356	8.0
163.03912	33.8
175.07518	12.8
175.87439	7.7
179.03435	21.3
189.12773	21.2
191.03404	8.6
201.05493	17.1
203.14273	13.7
205.15933	7.6
231.13831	47.6
232.14697	11.6
233.15337	89.7
254.30008	8.7
260.85812	8.2
269.38229	8.3
285.11142	10.6
303.12302	13.0
309.11221	24.2
393.17117	12.9
416.33179	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	411.193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96193	8.4
57.07076	14.2
61.71836	11.6
61.72144	9.1
69.07069	10.9
71.08651	13.7
83.06104	29.4
84.04505	98.9
95.08608	15.3
98.98463	14.4
100.97849	10.9
129.06636	48.5
130.04987	100.0
147.07654	31.0
180.46745	11.8
209.70778	11.2
227.39828	10.7
240.24132	13.1
251.72974	12.1
273.44461	13.3
364.03171	14.5
411.19150	17.8
418.73688	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2012
Annotation	Brachynereolide
Peak:m/z	Relative Intensity
55.05502	1.7
56.96559	14.4
57.03430	1.1
59.05003	4.9
60.34834	1.0
61.02931	1.3
64.22707	1.0
65.03949	3.2
67.05515	3.8
68.99802	1.3
69.03438	4.0
71.56593	1.3
75.01343	1.1
79.05489	2.2
81.03433	2.4
81.07061	5.4
83.04963	8.7
84.96035	7.3
85.02891	11.8
91.05476	26.9
91.06022	1.6
92.05825	1.7
93.07044	2.1
93.22340	1.2
95.04992	2.9
95.08630	1.7
97.02914	2.0
98.97568	8.9
102.97102	1.3
105.07018	8.8
107.04955	2.1
109.02863	1.6
109.06574	3.3
111.00851	2.0
111.04498	1.9
116.98639	3.3
117.07037	1.3
119.04935	41.4
119.08628	4.2
120.05295	3.4
121.02917	4.3
125.98663	3.3
127.03874	1.7
128.06232	1.7
128.98647	1.3
130.89040	1.2
131.08600	3.0
133.06548	3.3
133.10190	4.3
140.00235	4.4
143.00244	1.8
143.08563	3.0
145.10191	1.6
147.04402	93.2
147.08093	4.9
148.04752	11.2
152.00255	1.6
153.00778	1.5
153.01906	5.3
158.01297	2.8
161.01228	1.4
161.09618	1.8
165.01900	2.2
166.01880	2.1
167.01303	1.7
173.09590	2.4
183.03125	1.4
184.02895	2.0
187.11147	1.5
189.00784	1.7
189.09103	17.5
189.12799	1.5
191.10680	2.5
203.10757	3.5
207.04552	2.0
219.02078	1.3
231.13782	68.3
232.14146	2.2
236.06041	1.6
239.02272	3.0
244.02966	2.1
249.14836	100.0
257.03278	1.5
258.04697	2.3
260.04504	2.8
262.03857	3.1
280.05032	2.2
283.06067	2.0
285.05493	2.3
287.05478	92.6
288.05829	18.6
288.08514	1.7
289.06094	3.6
304.05222	1.8
305.03384	2.1
318.06665	1.8
330.06366	1.7
335.04504	1.3
343.01340	1.8
361.02460	4.6
366.02939	1.7
379.03467	1.7
384.04053	5.4
388.07446	2.2
407.05838	10.8
408.06238	1.7
411.16241	2.1
425.06976	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2013
Annotation	Onitinoside
Peak:m/z	Relative Intensity
50.56178	2.3
52.61568	2.3
53.23024	2.9
59.04982	7.8
59.05260	3.0
69.03394	7.3
73.19289	2.6
81.07050	7.3
83.04970	3.8
84.08132	3.2
85.02899	13.3
91.05453	6.3
91.71651	6.0
93.07025	5.8
105.07030	11.9
116.83256	3.3
119.04922	4.1
119.08508	4.4
119.71240	3.1
127.03843	4.0
131.08632	4.2
133.06494	3.3
143.08586	4.9
147.08067	10.0
161.09566	3.9
175.74629	3.3
189.09134	18.9
203.10692	4.2
227.31120	3.4
231.13766	65.7
249.14815	100.0
293.85696	3.6
345.79813	3.7
405.55219	3.9
407.48041	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	411.2012
Annotation	Brachynereolide
Peak:m/z	Relative Intensity
55.05505	1.5
55.41108	1.2
61.02913	2.2
61.03250	1.1
63.68751	1.4
67.05497	2.1
69.03426	8.7
70.23038	1.5
74.69341	1.1
79.05486	1.3
81.03405	2.1
81.07066	1.9
83.04980	1.4
84.08107	1.3
85.02893	15.2
91.05448	2.8
93.07017	2.5
97.02892	3.1
105.07032	4.6
108.49828	1.3
109.06492	1.9
119.04902	1.8
119.08564	1.9
123.96232	1.3
127.03913	1.9
129.07008	1.4
131.08559	2.3
141.43788	1.5
143.08595	1.9
147.08012	3.0
161.09689	1.9
171.08029	2.5
173.09575	1.7
189.09079	10.8
212.42290	1.5
231.13768	2.6
249.14828	100.0
290.95154	1.7
411.19681	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2013
Annotation	Brachynereolide
Peak:m/z	Relative Intensity
52.41452	1.0
57.03431	1.5
66.71960	1.4
67.05475	2.0
69.03419	6.4
71.01429	1.1
73.17081	1.3
81.03410	3.6
81.07040	4.1
85.02903	17.0
91.05469	2.8
93.07022	2.0
97.02141	1.1
97.02882	2.6
105.07030	4.1
109.02854	1.6
109.06527	1.5
114.93337	1.8
119.04957	2.3
119.08595	1.7
122.67493	1.4
127.03900	2.0
128.06165	1.5
129.07022	2.1
131.08598	1.7
143.08586	1.9
147.08023	2.8
157.74223	1.6
164.11383	1.4
171.08075	3.0
189.09082	6.9
231.13745	3.2
249.14836	100.0
330.94073	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	411.2502
Annotation	1-Palmitoylglycerol 3-phosphate
Peak:m/z	Relative Intensity
58.82662	9.1
73.48251	9.1
74.48424	10.6
74.82579	9.0
81.88993	10.3
103.01046	9.5
109.84118	8.8
113.02844	11.1
114.40984	10.2
118.33312	9.4
187.03664	36.6
236.60823	11.0
259.42892	10.3
393.23718	25.5
411.24875	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2504
Annotation	Arg Val His
Peak:m/z	Relative Intensity
50.86605	4.1
58.08442	3.8
67.66055	4.0
79.55033	5.2
80.87388	5.2
105.19258	4.4
117.74493	5.3
124.94205	4.3
131.93330	4.8
147.57341	5.7
187.03629	31.1
210.03130	5.3
239.82689	5.8
334.99707	6.6
403.36203	5.8
411.25058	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2527
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
55.05505	11.0
57.07065	100.0
67.05490	13.0
69.07077	9.2
79.05490	33.8
79.20480	6.7
81.07042	32.4
85.06522	32.2
89.18833	7.4
91.05469	36.3
93.07030	40.5
95.04942	19.0
96.31555	7.3
97.06480	8.7
105.06998	39.8
107.04937	11.1
107.08565	38.6
111.37233	7.5
116.08875	7.5
117.06989	17.4
118.37572	7.5
119.08577	28.2
121.06498	13.7
121.10143	8.6
133.10130	10.7
135.08011	9.6
135.11687	67.1
137.05957	10.3
137.09544	10.8
143.08591	22.8
145.10129	83.5
147.08046	16.5
155.08546	9.0
159.08002	9.1
163.11188	40.1
177.09203	11.6
183.11578	8.7
195.11894	8.3
210.08623	8.1
219.13818	10.3
225.12938	9.2
261.14810	12.8
273.18445	8.9
301.17902	73.5
327.19803	8.9
367.70190	8.2
379.88049	9.1
393.24091	12.7
411.25256	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55569	1.3
54.61953	1.2
55.05494	4.2
55.92805	1.2
57.07058	7.3
64.87347	1.4
67.05485	3.9
68.63100	1.7
69.07064	11.6
71.08623	8.5
79.05460	1.6
79.49927	1.8
81.07044	11.8
83.08631	4.2
85.10157	6.5
91.05466	4.5
91.48905	1.3
93.07037	3.2
95.04975	2.9
95.08595	10.2
97.10173	3.7
98.17950	1.5
109.10148	6.3
109.27332	1.7
111.11723	3.1
113.80415	1.4
121.06496	100.0
123.11739	2.9
133.06609	1.5
135.08057	7.2
135.11694	1.9
147.08034	10.2
161.09619	5.2
165.16452	2.0
186.00937	1.6
336.07388	2.0
354.30356	1.9
393.61194	1.8
411.36252	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	411.3619
Annotation	24-Methylenepollinastanone
Peak:m/z	Relative Intensity
53.97071	10.7
59.90689	12.0
62.06963	12.8
69.07036	18.0
81.07043	53.9
83.04965	12.2
85.10122	16.9
86.25101	11.3
95.08604	28.6
107.49556	12.1
115.23391	14.1
161.65526	13.5
165.20032	13.9
168.80106	13.5
391.08578	14.2
411.36060	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.0209
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99396	10.4
68.38150	10.4
76.87319	13.5
77.05746	11.3
91.71616	12.8
134.79070	10.2
157.95505	11.3
177.00932	100.0
200.02513	61.3
201.00920	17.3
205.00473	50.7
213.00989	26.9
219.01978	80.0
223.04109	19.3
224.02596	22.4
228.01990	29.0
231.01999	33.0
236.02621	24.0
241.38582	15.4
242.03639	30.1
244.99883	15.5
254.03590	57.4
265.05322	30.2
268.01709	14.7
275.01016	14.7
277.05173	26.2
291.03247	19.6
317.02295	13.7
322.02527	40.0
324.00256	19.9
370.00940	42.0
389.00223	23.8
393.02594	34.6
407.01584	16.6
412.02155	72.6
419.17575	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	412.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01859	10.4
60.60077	3.1
61.02917	5.2
68.99770	3.8
69.03423	28.1
69.07065	10.1
71.05006	4.7
73.02908	6.3
76.55138	3.3
81.03418	31.6
85.02903	100.0
87.00829	29.0
87.08107	13.1
97.02895	35.6
99.04463	10.7
105.01856	46.0
109.02867	33.4
115.18863	3.4
127.03927	66.9
127.87653	3.4
145.04993	18.4
147.10173	7.5
157.15160	3.7
159.02899	14.6
208.70470	4.1
209.76059	4.0
231.04947	11.4
271.34290	3.9
316.63644	4.4
321.24496	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	412.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22324	2.9
55.05508	6.3
55.22294	2.7
56.80551	2.5
57.07074	18.7
62.03028	2.5
62.55141	3.1
65.29699	3.5
67.05498	4.9
67.92258	3.2
83.04927	5.1
93.07045	3.9
95.04346	3.6
95.08598	18.8
105.07025	3.2
107.08608	5.3
113.09649	9.5
117.07069	4.3
129.07039	4.9
133.10139	3.5
139.16859	3.4
145.06528	4.3
145.10085	5.3
147.21780	3.5
155.08627	5.0
173.09612	5.9
183.08058	9.1
185.09601	5.3
201.09160	14.7
201.19641	3.5
211.07555	9.0
216.62924	4.1
229.05048	4.1
229.08557	6.9
241.12225	6.6
247.09642	6.5
250.11595	4.9
254.31168	3.9
257.08105	7.7
257.15289	7.7
275.09088	4.2
285.14865	14.0
303.15967	10.8
313.14008	4.2
331.15576	6.3
349.16547	8.1
359.14807	23.9
377.15964	27.1
395.16992	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67676	2.3
53.79317	2.3
61.62434	2.5
65.63713	2.4
73.12166	2.5
80.76810	2.6
105.07043	6.7
107.08482	3.0
119.08637	3.6
127.03892	3.5
133.10094	4.6
147.11639	3.8
163.07509	3.5
169.10091	2.8
177.63138	3.2
183.11754	3.3
211.11119	4.9
229.12267	4.4
239.05092	3.0
239.14310	8.4
267.13885	7.5
269.15295	3.0
278.46384	3.5
285.14871	9.3
303.12296	10.4
303.15631	6.7
313.14392	6.3
321.13055	3.4
359.14960	7.7
377.15924	100.0
378.16211	3.8
395.17053	40.0
412.19720	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	412.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68790	10.0
57.07057	23.8
63.76441	10.1
65.04631	9.4
67.05508	12.1
74.18894	12.0
76.68059	11.8
78.85399	11.8
80.48872	10.8
83.01338	14.4
84.59149	11.8
89.34450	10.8
89.81242	10.2
89.82223	10.5
93.07079	14.1
95.04970	13.4
97.44421	12.5
105.07037	18.4
107.08595	15.1
119.08579	14.8
121.06472	12.3
162.25903	11.5
173.09538	13.1
230.89281	14.5
239.10497	16.3
267.13794	20.5
291.86029	13.8
313.14334	15.3
331.15280	62.4
349.16547	38.6
359.14969	24.8
366.82614	14.8
377.15952	21.3
395.17068	97.6
412.19608	100.0
436.20242	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	412.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07840	11.1
50.31704	11.8
57.07054	40.6
57.12478	10.2
88.30573	12.2
95.08597	42.1
105.42058	13.8
113.09616	15.6
126.35313	13.4
126.47299	13.7
127.03339	14.7
133.68819	14.8
136.06255	32.2
137.06038	16.6
145.06494	14.8
145.36299	14.3
183.08052	33.7
195.08151	18.8
211.07481	17.8
213.12762	17.4
229.08675	29.6
257.15259	33.1
259.13373	53.1
275.98483	15.8
349.16257	23.9
377.15918	100.0
412.19702	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16780	4.8
57.07062	30.1
67.05473	6.3
68.86010	6.9
69.30347	6.4
74.05820	5.9
83.01318	6.7
83.75589	6.4
86.18948	6.1
87.97378	5.8
95.08596	30.1
106.42945	7.0
113.09721	6.9
116.43946	7.2
134.03116	8.3
152.06192	9.2
155.08519	9.1
183.08051	27.0
195.07997	11.8
211.07632	25.3
213.12711	15.3
215.14368	19.6
217.08778	10.2
218.25931	8.2
229.08583	17.1
257.08163	28.9
257.15280	40.9
259.13281	35.3
285.14932	16.4
303.08560	19.8
303.15826	8.4
331.15326	39.7
349.16602	14.2
377.15900	100.0
395.17310	9.3
411.71518	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	412.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98052	7.3
55.01878	9.7
55.05510	8.5
57.07072	33.7
66.01452	7.9
69.07058	24.8
70.57567	8.5
75.02586	8.7
81.07026	10.3
82.07361	8.6
91.05467	12.4
105.07082	13.0
105.25103	9.0
109.06508	15.4
117.07030	12.1
118.62331	9.7
121.10162	17.3
129.07133	11.9
131.08640	10.4
136.06204	12.5
138.08902	9.2
173.09552	13.0
183.08052	11.7
211.07639	20.6
247.09773	10.2
267.13812	16.7
285.14917	13.1
295.13455	10.9
313.14560	12.9
313.19986	14.6
316.02899	10.5
324.54291	10.3
331.15308	26.1
349.16397	30.5
359.14932	30.7
377.16171	41.4
395.16922	100.0
412.19589	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02506	3.4
55.01855	7.9
67.05482	5.3
69.05411	3.3
70.81300	3.9
81.03409	10.0
81.69458	3.8
82.12625	4.2
85.02893	7.0
95.04954	30.6
97.02892	5.8
107.04942	41.8
108.92755	4.0
109.02854	35.9
123.04416	6.5
128.97667	4.6
135.04410	9.9
139.03899	100.0
151.03891	98.5
163.03929	21.7
169.04953	41.3
182.23300	5.0
193.05077	6.7
225.20541	5.1
245.08031	47.1
301.07141	10.8
319.08078	51.6
378.16168	7.7
382.32660	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	413.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00336	1.0
56.05014	1.0
58.99580	1.0
69.03448	1.2
70.06583	6.0
71.04975	1.1
71.11033	0.9
72.08157	1.3
76.02230	2.7
82.42157	1.0
84.04488	15.1
84.08139	4.9
85.02895	2.4
86.09679	2.2
91.47488	1.0
93.07027	1.4
95.04980	1.9
97.02856	1.1
103.05460	43.2
105.00085	1.2
105.07005	1.2
108.62788	1.1
110.07066	1.3
122.02721	14.9
130.04991	7.0
131.04921	100.0
132.05310	1.1
137.05975	1.2
142.03136	1.3
162.58316	1.0
163.05432	1.2
163.07536	30.2
163.08917	1.5
172.07555	1.9
232.68692	1.1
234.04277	2.4
251.06952	23.6
251.09413	1.8
251.12555	1.4
254.67595	1.2
263.56076	1.3
359.82019	1.4
383.95251	1.2
413.16992	11.2
413.21823	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	413.1414
Annotation	t(6)a
Peak:m/z	Relative Intensity
53.78191	0.7
53.88131	0.8
62.20074	0.8
66.46942	1.0
70.19750	0.9
74.06074	1.8
80.70836	0.9
102.05527	1.1
119.03545	4.2
120.06578	8.5
122.49184	1.2
136.06177	100.0
137.04617	2.4
162.04095	54.9
281.09866	37.9
315.85779	1.1
437.39542	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.8
57.07063	25.1
57.27831	3.6
67.05488	9.6
69.03422	8.0
79.05481	9.3
81.03397	12.7
81.07031	9.2
83.04978	4.4
85.06541	14.8
85.99534	4.2
91.05479	29.5
93.07035	10.3
95.04970	11.2
97.02888	21.8
97.04312	4.3
105.07019	28.3
107.08583	10.7
109.06478	6.6
109.10163	10.8
111.04467	8.2
117.07002	6.7
119.08560	21.1
122.03658	8.5
129.07042	9.9
131.08572	8.9
133.06485	22.5
135.08014	8.6
137.02357	17.1
137.05974	100.0
141.54546	4.8
143.08554	5.7
145.06534	6.8
147.08051	20.5
153.05453	9.1
171.08037	5.9
171.11540	7.3
199.11119	6.1
229.15988	6.5
245.11813	7.8
365.21133	22.5
383.22455	5.6
399.14221	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	413.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	36.1
57.07057	42.9
62.44498	10.2
64.79571	9.4
67.05489	11.4
69.03411	23.2
69.07056	37.3
77.97348	12.5
81.03428	15.8
81.07053	61.8
83.01344	22.4
83.04978	11.1
84.81620	10.2
85.06528	24.9
91.05477	25.9
95.01316	38.3
95.04970	12.3
97.10175	61.3
105.06995	23.5
107.08585	25.4
117.07046	23.5
119.08591	20.9
121.10135	24.1
123.04459	11.9
123.11665	27.8
129.07076	19.6
131.04915	14.4
131.08582	28.6
133.06525	22.1
133.10088	13.2
143.08565	15.4
145.06506	22.8
145.10143	13.8
149.09613	68.5
157.10080	22.1
159.08020	30.7
161.06052	13.3
171.11690	28.1
173.05899	13.7
177.09123	15.3
183.08072	15.3
183.58833	12.2
187.07649	13.8
187.11275	17.0
199.61473	14.2
200.45955	11.8
211.07443	14.9
233.15443	17.8
267.13748	16.8
275.16443	13.2
278.93713	13.3
285.14841	16.4
313.14340	31.9
317.14178	15.1
321.16599	15.1
331.15369	100.0
349.16522	25.6
359.14780	49.6
364.65302	15.5
377.15863	59.0
395.17126	51.8
413.17981	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	413.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	33.7
57.07061	46.5
59.27050	13.6
62.22258	13.6
62.46408	14.1
67.72589	14.1
69.07069	22.0
79.05489	23.6
81.07041	27.0
81.15176	17.4
83.01310	22.2
83.04987	18.0
91.05456	19.9
91.71026	32.4
93.07021	22.1
95.04980	21.0
95.08590	19.4
95.64134	15.6
97.10163	20.2
99.56873	13.8
105.07029	29.9
107.04996	24.8
133.06441	22.0
137.05989	36.3
139.03906	16.7
145.10139	18.6
147.08128	24.0
173.09613	19.1
187.11279	21.6
201.09166	22.6
224.03284	19.3
259.13202	20.0
285.07825	22.5
303.16138	25.1
321.17081	26.1
327.42230	19.8
331.15253	83.7
349.16571	100.0
359.14722	41.5
377.15829	36.4
378.16324	25.9
395.16888	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60318	5.4
57.07066	63.7
65.46394	5.4
67.05493	11.5
73.40849	5.2
74.63776	5.1
74.96426	6.2
79.05481	8.3
83.04990	5.7
91.05495	13.9
93.07043	10.2
95.08595	52.3
105.07048	13.6
107.04935	7.2
113.09642	10.7
117.07011	9.4
119.08598	12.5
121.10137	8.8
129.38928	6.0
131.08498	9.7
135.08092	6.3
145.06503	11.2
145.10126	15.0
147.08102	9.3
152.18634	6.2
155.08577	17.8
159.08057	16.3
173.06013	10.5
173.09625	24.2
183.08115	14.3
187.11160	6.4
201.05482	8.2
201.09152	20.7
211.07573	11.2
213.12744	11.5
229.08533	20.2
247.09679	16.0
257.08090	14.8
257.15326	18.9
259.13327	24.9
269.76428	7.1
275.05463	28.6
280.96741	7.9
285.14804	12.8
303.08676	11.7
303.15933	21.6
321.16913	46.2
331.15442	10.6
334.34268	8.2
354.92633	8.7
377.15936	100.0
422.63712	7.9
431.51401	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	413.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11360	6.4
55.05472	8.4
57.07064	43.6
67.05490	9.5
76.43782	8.4
77.34200	8.6
83.01327	9.2
83.08630	13.2
84.08126	10.9
85.53381	9.7
91.05486	15.1
93.07054	13.0
95.04961	14.2
95.08588	26.5
105.07030	20.3
107.08592	24.9
114.13994	9.5
117.07006	10.8
119.04916	9.8
123.08056	10.9
129.06996	13.1
131.08594	16.9
133.10056	12.9
137.05988	13.1
145.06488	19.5
145.10191	17.8
148.96114	10.8
155.08549	22.7
159.07997	9.9
159.11690	22.6
172.68596	8.5
173.09688	17.5
177.09015	13.4
183.08051	29.2
185.13432	11.1
191.07056	12.2
201.09015	23.9
229.08641	12.4
235.83218	9.1
239.14232	18.0
247.09680	24.1
251.45410	9.6
257.15305	20.2
285.14822	16.2
303.15875	22.3
313.14590	10.9
321.16809	22.4
327.28357	10.7
331.15286	43.8
349.16269	100.0
359.14935	20.7
377.15793	19.8
395.16953	13.9
413.17261	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	413.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64542	6.9
56.22308	7.3
57.07070	79.4
64.76977	8.5
83.03819	8.1
85.06524	33.9
91.05534	11.1
97.56207	7.3
105.07114	7.0
107.04947	11.5
115.05462	8.3
133.02910	11.3
138.03162	12.2
143.08479	8.9
147.04407	10.7
150.44940	8.8
151.03932	10.4
153.05470	100.0
167.07002	14.9
171.08063	9.0
175.07578	13.1
193.50429	9.2
272.58191	8.5
311.12802	16.6
313.10526	11.4
395.18640	12.4
413.19974	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	413.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36274	10.2
57.07055	38.6
63.23349	13.1
67.29548	12.5
67.44803	11.0
75.92078	11.0
79.05474	13.9
85.06506	19.1
91.05454	13.9
93.07032	14.0
95.04920	18.3
125.53718	12.9
137.05988	100.0
138.93718	14.0
143.08632	15.8
205.74623	13.5
273.01642	16.2
284.90833	14.2
342.97824	15.2
377.17435	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	413.2146
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
58.47773	1.5
63.79615	1.5
63.82368	1.5
70.06582	5.4
72.08160	2.4
73.29231	1.8
84.04501	4.8
84.08134	2.3
86.09715	3.2
86.43112	2.0
97.47419	1.9
103.05473	4.9
104.63984	2.0
117.60750	1.7
131.04935	12.7
137.05963	2.3
162.04329	2.3
164.48569	2.3
165.99680	2.5
224.15715	2.1
338.05624	2.2
413.21481	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
60.31324	1.8
63.31851	2.2
70.06587	8.6
72.08142	9.9
84.04475	7.5
84.08130	3.7
85.02891	3.4
85.24384	2.1
88.62664	2.4
95.08598	3.0
97.02877	3.0
105.07037	2.5
110.94772	2.7
116.07058	3.1
120.08231	2.3
130.04988	3.8
186.41286	2.5
242.22661	2.4
263.04675	2.3
263.49310	2.5
350.77893	2.8
413.21518	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	413.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57900	2.2
57.06841	3.1
57.07069	32.7
67.05482	4.1
69.07058	3.4
79.05476	7.2
81.07052	4.5
85.06535	11.8
91.05488	14.5
93.07035	10.4
94.04211	4.5
95.04959	5.2
105.07009	3.5
117.06989	2.9
119.04890	3.8
122.03645	9.8
129.06999	5.1
131.04961	2.9
131.08572	4.7
132.03255	3.2
137.05969	100.0
137.09581	5.1
137.81538	2.7
143.08612	3.8
151.11143	2.8
153.05450	11.9
153.06711	3.3
157.06499	3.2
157.10149	3.1
161.12988	2.7
167.07130	4.3
173.06001	3.5
187.07509	4.0
187.11131	5.9
208.47581	3.2
209.21237	3.4
227.10614	2.9
227.14317	4.1
229.15710	5.8
241.15733	4.7
352.32404	3.5
365.21136	19.9
372.24228	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	413.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60969	13.7
57.07062	21.3
60.93824	13.7
61.75744	11.7
67.05490	37.1
79.05488	32.1
82.06239	14.1
88.09280	13.8
91.05467	31.4
93.07044	38.0
105.07079	16.0
122.22779	15.4
137.02364	35.2
137.05919	14.8
180.60942	15.7
221.08051	100.0
280.78445	18.6
395.22397	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13168	2.0
57.07070	20.1
62.22029	2.2
75.39438	2.4
79.05484	6.2
80.26103	2.4
81.07029	6.5
85.06538	8.6
91.05465	13.2
93.07040	7.3
94.04176	4.2
95.04965	5.3
95.08652	2.6
105.06986	3.5
117.07077	4.0
122.03597	6.0
131.08505	3.2
137.05966	100.0
137.09657	5.8
143.08501	4.1
145.06493	3.0
150.46658	2.7
154.76761	3.0
157.10118	3.3
158.07410	2.8
182.82298	3.2
185.60571	3.0
187.11142	4.9
215.14261	3.9
229.15833	3.5
255.10109	3.5
348.59033	3.3
365.20959	31.4
423.28967	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	413.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72471	1.6
51.03214	1.6
53.57688	1.5
57.07072	23.5
67.05504	2.0
72.50712	2.0
74.33598	1.9
79.05480	3.8
81.07061	5.1
85.06527	9.7
91.05463	9.8
93.07042	9.1
94.04166	2.1
95.04968	6.3
97.93728	1.9
105.07035	3.0
107.08634	2.5
109.06525	2.7
110.60834	1.8
115.48789	1.8
119.08506	2.0
122.03680	8.0
123.98063	1.8
128.44646	1.9
129.06963	4.3
131.04988	2.8
131.08559	4.6
132.75125	2.0
137.05977	100.0
137.09621	4.6
143.08592	4.6
145.06534	3.6
145.10139	3.8
151.11176	3.6
153.05513	2.4
187.11203	3.9
196.19138	2.1
220.08942	2.5
229.15883	4.6
233.72865	2.3
241.15866	3.6
245.15402	2.9
255.10081	2.2
365.21069	30.3
377.21118	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09453	1.0
57.06801	1.6
57.07069	21.9
67.05495	2.5
69.03407	1.2
74.00560	1.1
75.00531	1.2
79.05476	5.6
81.07035	3.2
85.06531	5.8
90.88938	1.1
91.05484	10.4
91.71032	3.2
92.72084	1.5
93.07029	8.3
94.04137	1.6
95.04937	4.9
95.08636	1.4
105.04481	1.7
105.07027	3.6
107.04927	1.8
112.78630	1.3
117.07024	3.5
122.03610	7.6
128.06221	1.6
129.07033	4.0
131.04897	2.7
131.08589	3.5
137.05974	100.0
137.09622	5.0
141.06970	1.8
143.08545	2.6
145.06535	2.1
145.10143	2.4
151.11162	2.3
155.08488	1.7
157.10118	2.7
187.11255	6.3
190.11307	1.7
215.14410	3.5
229.15797	3.7
241.15930	4.1
247.16943	4.1
255.10286	2.2
365.21054	26.5
388.83786	1.6
395.22119	1.6
413.23343	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	413.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06834	2.3
57.07076	23.5
58.32914	1.6
64.47684	1.7
67.05496	3.3
67.64012	2.2
79.05471	3.8
81.07066	5.5
85.06523	8.6
91.05482	9.3
93.07033	11.4
94.04187	2.7
95.04968	7.4
95.08596	2.4
105.07030	3.1
117.07005	2.7
118.50205	2.1
119.04931	2.4
119.08585	2.6
122.03651	8.9
129.06992	7.0
131.04947	5.6
137.05974	100.0
137.09615	5.7
143.08583	2.8
145.10109	3.7
151.07594	5.2
151.11156	3.8
155.38638	2.3
157.10052	2.5
187.11194	5.5
229.15923	5.2
241.15892	5.4
247.16994	4.2
255.10182	3.4
360.16534	3.2
365.21185	24.9
413.23514	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	413.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63868	1.6
55.01847	1.9
57.06841	1.9
57.07073	23.6
58.12281	1.7
67.05496	2.0
68.90439	1.8
79.05483	4.4
81.07037	6.4
85.06529	8.2
85.27197	2.0
91.05470	11.4
93.07014	11.4
94.04168	2.6
94.31806	2.0
95.04953	6.9
95.08583	2.5
105.07038	2.1
121.10150	1.9
122.03644	7.3
123.51821	2.0
128.06232	2.0
129.07039	2.7
131.08551	3.8
137.05971	100.0
137.09575	5.2
143.08546	3.8
145.10167	4.0
151.11171	2.3
163.07571	2.4
167.06943	2.7
187.11145	6.6
190.13191	2.0
217.19397	1.9
223.93645	2.1
229.15881	7.1
241.15855	3.5
247.17000	3.9
342.61856	2.2
365.21082	16.6
395.22299	3.2
413.23331	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	413.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.9
55.05504	99.7
57.07063	6.2
60.61750	2.9
63.17877	3.5
64.98470	3.0
67.05493	15.1
69.07061	23.4
69.07370	3.7
70.14933	3.3
76.73625	3.8
77.20935	3.9
79.05474	3.5
81.07037	25.3
83.08611	100.0
91.05491	7.7
91.71667	10.4
93.07026	7.6
95.08601	22.4
97.10165	14.7
105.07050	4.3
107.08610	6.1
109.10165	10.7
111.11718	5.0
119.08564	8.8
121.10144	9.8
122.68358	4.3
133.10081	6.3
135.11710	4.9
145.06512	5.8
161.13345	5.2
189.82413	4.2
217.19539	11.0
235.18559	4.9
235.20473	22.7
253.21600	12.4
271.22818	5.4
293.36960	5.0
355.26367	12.4
413.32666	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	413.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30761	2.8
55.05510	20.5
57.16723	2.9
57.92221	2.9
69.07058	11.6
70.66054	3.4
81.07028	3.7
91.05461	7.9
93.07590	3.6
106.06554	4.2
117.06936	3.9
118.06525	4.0
130.06509	14.2
132.08063	12.2
141.09077	3.7
144.08087	16.3
146.09671	9.3
160.07599	15.8
162.09129	13.8
172.07544	17.7
174.09151	32.7
188.10719	8.2
190.08655	9.0
192.10190	10.9
200.10675	18.7
214.12238	27.5
228.13980	4.2
232.48418	4.2
280.86783	3.8
368.33163	7.4
396.32562	100.0
413.35760	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3775
Annotation	Adiantone
Peak:m/z	Relative Intensity
50.10695	3.4
58.43599	3.8
58.72356	4.1
67.05476	6.6
69.07058	8.2
71.08615	8.7
74.85295	3.5
79.02863	4.2
79.05482	7.6
79.81216	3.8
81.07053	16.7
83.04961	8.9
85.80070	3.9
91.05466	5.6
95.08599	8.6
95.61118	3.8
97.06516	95.5
105.07021	6.2
107.08601	6.8
109.06509	100.0
109.10204	5.1
123.08036	7.6
152.42889	5.1
189.30356	4.5
227.18219	6.7
269.15689	5.3
411.14554	5.7
413.32507	9.0
413.37531	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	414.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88423	4.4
53.68180	4.5
57.07059	18.8
66.73006	5.7
69.03391	6.0
70.19585	4.7
73.06543	5.6
74.48192	5.9
76.17345	5.2
83.04977	5.6
83.70551	5.2
85.02889	8.4
91.71120	8.7
91.95302	6.1
93.06990	7.1
105.07037	8.4
119.08606	6.2
133.10110	6.2
143.08443	8.3
147.37051	6.6
159.08090	9.1
177.12823	7.2
218.03093	6.7
232.79515	7.0
236.99039	7.1
290.37158	6.4
305.13727	9.4
315.15866	14.6
319.15219	17.7
333.16849	64.4
378.71149	7.7
379.17398	100.0
397.18463	30.5
414.21472	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	414.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	16.5
56.96585	7.8
57.07058	33.4
58.52734	7.3
67.05491	13.8
69.03416	10.0
69.07050	20.8
81.07062	28.0
83.08607	14.8
86.06049	22.6
88.10408	9.3
91.05500	10.0
93.07057	11.1
95.08533	8.2
98.06047	44.2
98.97610	20.3
103.97248	9.6
107.08609	21.4
109.10168	12.1
116.98578	23.0
123.04431	8.9
126.05530	11.4
131.08571	9.8
132.10614	9.2
133.10136	47.0
136.30034	13.0
137.05951	12.8
140.00179	22.3
143.08549	11.6
145.10144	11.0
149.09645	11.3
157.10155	16.7
161.09581	11.4
177.00671	14.0
179.10678	38.7
195.08011	9.8
195.81900	9.1
200.02353	11.0
213.09128	19.9
252.15744	12.0
253.15929	12.7
288.17957	58.1
315.15924	11.5
333.16962	46.6
351.18091	24.4
361.16272	13.0
370.15173	22.0
379.17209	18.0
397.18567	100.0
414.21149	34.1
438.21582	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	414.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63446	8.1
55.05516	31.0
57.07075	25.7
67.05506	13.6
69.07053	19.3
70.06594	18.3
71.40461	11.2
77.06625	12.5
79.05492	17.9
80.36559	10.1
81.07052	17.4
90.80128	11.3
91.05499	18.6
95.08585	13.8
97.10182	39.4
104.07131	13.5
107.08603	17.7
107.55708	12.9
119.08615	13.3
127.03995	11.1
131.08571	13.9
133.10179	22.0
137.06013	20.3
145.10184	17.8
179.10675	16.0
241.15913	22.0
256.83029	13.7
333.17065	44.5
361.16641	35.7
379.17569	49.6
397.18546	100.0
414.21423	29.4
414.26685	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	414.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	24.1
61.02901	10.1
69.03423	36.3
73.02903	40.7
80.01828	3.0
81.03391	5.8
85.02893	100.0
96.42736	3.0
97.02885	52.6
99.04435	5.3
109.02878	8.0
112.36005	3.1
115.03897	20.9
127.03899	28.3
133.04951	8.3
145.04947	37.9
163.06042	15.1
204.08688	5.6
262.61075	3.9
303.49619	4.3
349.13364	4.3
392.99805	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	414.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.9
57.03431	19.5
61.02910	11.9
69.03419	33.0
71.01336	3.2
73.02907	74.8
81.03392	6.6
85.02894	100.0
87.04465	4.6
91.03928	3.8
97.02882	48.5
99.04440	4.0
103.03914	2.8
109.02870	7.4
115.03938	16.7
127.03898	24.8
133.04958	25.5
145.04938	40.1
163.06007	16.6
163.93283	1.9
170.58682	2.0
193.04773	2.2
223.05988	2.4
241.07062	4.5
251.39391	2.1
259.08121	4.3
347.42654	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	414.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18439	2.5
56.96563	37.7
78.00962	2.5
91.71434	7.4
92.60154	2.8
97.99210	3.0
113.44924	2.9
149.87109	3.2
248.13274	3.3
253.14870	5.0
255.16640	3.5
272.20731	3.5
279.16205	4.2
281.17963	10.5
293.17935	9.2
309.17383	4.5
311.18890	100.0
311.22247	5.5
322.20764	4.7
329.19894	20.5
334.20892	4.3
352.21631	48.3
354.23056	20.3
372.24176	15.6
395.25687	23.5
414.25266	43.5
429.01276	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	414.3366
Annotation	Hupehenizine
Peak:m/z	Relative Intensity
54.18402	3.7
55.05505	11.7
57.07054	6.8
68.65799	4.5
69.07062	9.4
79.02545	3.6
79.83364	3.6
81.07043	5.1
82.56688	4.2
83.28355	3.6
91.05483	13.1
102.69273	4.3
119.08556	5.7
124.48297	5.5
127.43194	4.6
130.06558	8.0
132.08105	11.0
140.58908	5.2
144.08109	9.3
146.09752	4.2
158.09641	5.8
160.07619	9.6
162.09171	9.6
172.07663	12.0
174.09140	22.8
190.08615	9.1
191.95482	4.9
192.10240	11.6
200.10701	14.1
214.12279	12.1
276.11948	5.8
287.02414	7.4
298.55698	5.1
396.32635	12.8
414.33649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05000	3.7
55.05494	21.2
57.07067	18.1
58.06581	4.3
67.05492	5.7
69.07057	33.3
71.08614	12.0
73.31741	3.8
73.95564	3.5
81.07054	4.8
83.08604	28.1
95.08567	4.6
97.10152	23.5
102.05550	9.0
103.00440	3.8
104.07094	100.0
104.46076	3.9
111.11748	7.2
120.55822	3.7
150.79448	4.6
227.22893	4.6
279.75116	4.7
293.28372	10.8
306.82330	4.6
355.24591	4.7
395.25754	4.5
396.34802	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	414.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52960	4.0
55.05488	16.5
57.06805	5.7
57.07067	100.0
67.05495	45.6
69.07054	17.3
71.08621	72.5
79.05484	67.5
81.07047	54.4
83.04968	19.2
83.08598	32.1
85.10178	37.9
91.05452	6.5
91.71600	6.4
95.04961	9.7
95.08594	93.6
97.10175	14.4
105.07021	15.4
107.04942	88.5
107.08574	5.5
109.10139	27.8
114.87129	5.6
119.08583	13.7
123.08060	46.6
123.11697	14.9
129.71977	6.4
133.06476	5.9
137.13275	6.4
176.74634	5.9
239.23718	23.6
328.28979	5.5
333.31161	8.3
337.30917	36.7
339.79034	5.2
361.30920	35.5
379.32111	76.6
397.32996	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	415.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81462	7.4
56.96560	78.2
67.51289	7.5
68.75299	7.6
70.06556	11.1
84.96013	24.1
98.97586	84.9
110.97578	26.1
111.36285	10.0
116.97905	10.3
116.98615	58.8
118.06607	10.1
120.42773	9.1
124.71677	9.0
128.97754	9.9
128.98584	56.2
130.74564	11.5
131.97430	8.8
134.99663	16.4
137.06009	28.0
140.00169	77.3
146.99677	35.5
152.00198	31.4
152.98512	10.4
158.01260	28.1
168.59355	10.0
170.01268	23.2
181.02858	30.4
189.28143	10.0
193.02875	19.7
194.01453	9.5
212.02412	12.2
214.88118	9.9
218.76286	9.4
219.01706	26.9
234.04245	10.8
235.02774	11.8
237.02724	50.5
242.03281	93.6
260.04303	53.4
265.03943	14.5
283.06058	70.8
336.88071	11.2
337.05814	100.0
355.07001	31.4
373.08215	17.5
378.08600	38.1
390.80579	11.3
396.09763	35.7
415.09113	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46914	4.3
56.96546	15.2
62.79913	4.7
74.34421	4.9
80.93155	5.0
94.04191	5.9
98.97583	70.9
116.98618	25.2
122.03636	11.3
127.64865	5.2
134.99641	15.3
137.05975	100.0
140.00198	46.7
158.01234	18.9
158.99693	6.7
181.02873	16.0
200.02341	18.9
217.22780	6.1
235.02737	81.6
241.75810	5.6
253.03763	28.5
276.05408	73.5
295.04962	14.4
329.22870	5.0
333.05289	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	415.1
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77012	19.2
54.75848	20.3
64.02024	20.3
66.90982	24.3
91.11422	19.2
99.21227	23.0
212.03320	33.7
242.15324	27.3
289.82123	31.3
372.81149	26.5
389.72446	26.3
415.09976	100.0
428.42621	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	415.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21232	22.4
59.14216	19.9
64.17776	28.0
67.57096	23.1
70.06580	29.5
74.02172	22.3
80.94138	23.6
83.70215	29.0
90.61949	22.9
97.66450	25.7
132.10197	27.9
172.17262	25.1
261.24374	27.3
333.70468	31.7
415.09842	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73264	9.1
55.31618	8.3
55.48034	8.6
57.03417	16.8
64.59200	10.2
67.86354	10.2
69.03409	30.2
72.66328	12.5
73.02911	33.3
85.02888	100.0
86.03269	12.3
91.20258	9.2
91.30086	9.4
97.02885	48.9
103.32561	10.3
115.03896	22.4
145.04962	39.1
155.86166	12.4
163.05948	13.5
242.46251	11.8
244.99335	12.9
318.72278	13.2
360.48672	12.4
366.73303	12.7
391.55450	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	415.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41565	2.3
62.46307	2.2
72.43497	2.6
73.34411	2.8
83.64291	2.7
89.34923	2.8
102.52743	2.8
103.50446	2.8
137.05952	5.1
156.16449	2.8
166.30797	3.2
189.47696	3.4
189.89963	3.2
266.38470	3.6
345.22687	3.5
415.13562	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89465	28.1
56.24119	25.6
56.96551	41.3
58.05052	30.2
62.65977	26.2
63.00711	31.0
68.16380	28.4
91.70990	67.9
98.97578	81.5
116.98607	36.2
347.13678	60.4
358.59167	35.4
370.15384	95.9
412.16080	68.2
415.13559	79.0
415.19339	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.1
57.07068	4.8
60.77642	2.5
65.03944	2.7
79.05495	5.2
81.03430	7.1
89.76804	2.5
91.05521	3.1
95.04972	4.5
108.02098	6.0
115.05428	2.8
122.03687	4.0
129.06984	7.2
135.04404	87.2
137.05968	29.4
137.06755	2.6
141.05502	7.3
143.04941	6.3
145.06419	3.0
149.02354	7.5
151.03903	100.0
151.04979	9.7
153.05521	3.0
157.06494	13.4
187.07599	9.3
197.06139	3.0
201.05569	2.9
203.07224	3.4
214.52582	2.9
215.07068	4.1
231.06599	3.4
247.07602	4.7
277.08539	4.7
307.09613	4.9
309.11121	4.3
325.10770	8.3
337.10727	18.4
355.11835	15.2
375.35223	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	415.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03957	44.4
52.20111	53.6
56.72105	43.5
70.81897	50.8
91.77660	55.3
98.49729	49.1
119.08570	100.0
143.44630	60.6
145.91988	62.6
160.56477	54.3
200.99933	66.6
205.23521	60.8
208.74835	59.1
210.58392	55.8
344.75732	58.5
352.17303	66.3
413.53247	64.2
415.15076	79.5
415.28333	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	6.5
60.01767	5.4
60.04493	5.1
63.42860	4.3
65.13062	4.6
67.05511	5.7
68.04955	5.1
69.03417	7.7
70.06584	32.8
70.71629	5.8
72.08150	18.4
74.97221	4.6
78.65269	5.4
80.38536	4.9
84.04491	9.0
84.08128	12.2
85.02885	16.9
86.09694	48.5
91.03579	5.3
91.05479	9.4
93.07054	8.2
93.84718	4.9
95.08610	8.4
97.02888	5.5
103.05452	19.2
116.07069	14.3
119.08568	7.0
119.86202	6.1
131.04907	28.4
188.07071	7.2
223.89291	6.4
287.03882	19.8
371.16565	25.2
408.49127	6.8
415.15646	100.0
415.23688	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	415.164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86796	1.0
52.11488	1.1
52.63226	1.1
54.28869	1.1
56.96562	9.9
67.05486	1.5
69.07037	1.9
73.63916	1.2
81.07060	13.2
88.49813	1.4
93.07042	1.8
95.08617	3.6
98.97575	87.3
102.98248	1.4
114.87008	1.3
116.98618	47.5
128.98610	4.1
134.99658	19.9
136.72809	1.5
140.00186	61.0
141.00618	1.6
152.00243	2.4
153.00725	1.7
158.01247	28.6
158.99643	46.7
176.02321	3.7
177.00705	33.8
181.02834	26.4
189.00650	2.1
195.01723	1.9
199.03880	2.3
200.02299	100.0
201.02547	3.7
218.03433	3.0
219.01741	25.6
228.01729	1.5
237.02797	7.4
241.04971	6.7
242.03409	2.3
260.04428	24.6
279.03796	11.6
283.06012	3.0
295.12173	2.3
296.04004	1.6
318.05045	3.2
320.06607	8.9
355.14276	13.8
370.94070	1.5
373.15350	3.0
396.16971	5.6
415.16241	3.5
426.80478	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	415.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37219	5.3
52.53193	5.2
53.03950	12.0
57.07072	47.5
59.05001	4.3
59.07460	4.5
67.05505	13.1
79.05497	50.4
81.03436	14.2
81.07082	10.6
83.04993	7.2
85.06576	21.0
86.34547	5.6
91.05476	34.2
91.71696	9.8
93.07063	18.2
95.04970	17.1
95.08634	22.6
97.02943	6.2
105.03405	13.7
105.07033	13.8
107.04956	100.0
107.08602	10.9
114.21485	6.7
115.05493	12.8
117.07021	51.8
119.08615	21.0
129.07037	7.0
131.08621	22.4
135.08098	6.4
137.02350	62.5
137.03352	10.2
137.06056	19.4
137.09593	11.0
138.10478	8.2
144.51750	5.2
145.06502	31.5
149.09691	10.0
150.10406	37.5
153.05521	9.4
159.08054	27.5
173.13315	10.2
175.68646	5.5
176.96729	6.4
187.07632	9.7
187.11270	15.7
197.53030	5.3
201.12686	35.7
203.14272	28.8
215.10780	12.7
219.10283	9.4
229.12367	25.8
231.14030	9.0
247.13292	10.0
261.14810	32.8
262.15756	18.0
263.16434	8.0
322.87512	6.4
355.15225	33.7
369.04059	7.6
369.16934	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	415.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	5.5
61.19874	4.7
70.06541	5.8
72.08161	5.0
79.05507	5.2
87.73950	4.4
91.05463	11.5
105.06986	5.2
109.06522	5.0
109.07519	4.7
122.03582	5.0
129.06992	12.1
131.08578	15.9
137.05980	100.0
141.06975	5.2
151.07544	12.1
151.12698	4.2
159.08087	7.4
161.05989	13.1
175.07538	6.9
182.07312	7.0
185.09660	11.9
191.07047	5.2
197.09657	14.8
198.06805	18.4
199.07603	12.1
205.47336	5.6
213.09084	35.1
215.10722	8.9
225.09116	9.8
243.10246	19.3
265.67273	5.4
273.11209	71.3
277.11926	5.7
285.82187	5.1
291.10242	8.0
307.09610	6.6
321.11160	6.9
349.14087	6.0
354.14514	8.9
379.15808	5.2
397.16440	55.6
415.13687	11.3
415.18820	8.5
421.83411	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	415.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	100.0
62.50527	6.0
70.98426	5.9
70.98914	6.1
72.06503	6.1
79.05488	17.6
81.03415	7.9
85.06535	23.2
91.05480	17.2
95.04957	14.2
105.07015	11.4
107.04948	41.0
115.05505	9.2
117.07018	61.0
119.08562	11.9
137.02344	42.7
137.05989	27.9
145.06526	18.7
175.03883	22.4
177.05463	7.8
187.14070	8.7
205.04927	9.4
255.06479	11.9
261.15005	8.7
281.07925	13.8
285.11066	8.6
313.10730	26.6
321.69382	8.1
331.11758	22.1
342.08945	7.3
355.15680	8.0
415.17661	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	415.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48162	4.0
53.67467	3.5
56.40749	3.6
57.07068	55.4
57.50105	3.7
64.14108	4.4
68.37523	4.5
79.05507	10.2
85.06535	15.2
91.05473	15.0
93.07040	9.0
95.04978	7.6
95.08646	5.9
97.06526	8.8
101.94807	5.5
105.07053	11.4
107.04955	13.7
110.03654	8.5
114.76427	5.2
117.07026	7.5
119.08587	19.9
120.44758	4.4
121.06526	8.1
125.05993	100.0
129.07050	5.4
135.08047	6.1
137.05954	13.5
140.36424	4.8
145.06537	11.5
147.04518	6.9
147.08005	6.3
159.08076	8.9
172.08519	4.7
179.03366	42.0
187.07558	6.4
205.04999	9.5
211.45595	5.1
219.13840	11.2
229.12292	10.8
231.13924	7.2
289.10751	8.5
291.12326	21.2
304.36874	8.0
370.79166	5.9
415.17429	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	415.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02837	1.8
55.05493	2.2
55.51482	2.2
56.05015	2.8
57.07068	28.0
66.26580	2.3
69.08643	2.2
70.06583	100.0
72.08144	54.9
81.70027	2.1
84.04482	10.2
84.08134	7.9
85.02875	5.0
86.09699	17.1
91.05492	2.9
92.05000	3.0
105.06993	2.4
116.07040	3.7
143.11920	3.4
150.09103	3.3
154.05019	3.7
155.96167	3.2
166.29716	2.5
169.13205	2.4
177.10204	3.1
178.08669	3.6
182.04439	3.6
188.09386	2.6
205.09770	11.4
206.08221	7.7
208.09608	6.0
223.10747	3.9
224.09160	5.5
251.10199	8.0
252.08682	5.1
259.12881	2.6
269.11380	12.8
270.09839	5.3
273.08673	2.8
287.12415	9.9
325.88358	2.8
379.18768	4.2
397.19577	10.9
398.18030	6.6
415.20724	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02837	1.8
55.05493	2.2
55.51482	2.2
56.05015	2.8
57.07068	28.0
66.26580	2.3
69.08643	2.2
70.06583	100.0
72.08144	54.9
81.70027	2.1
84.04482	10.2
84.08134	7.9
85.02875	5.0
86.09699	17.1
91.05492	2.9
92.05000	3.0
105.06993	2.4
116.07040	3.7
143.11920	3.4
150.09103	3.3
154.05019	3.7
155.96167	3.2
166.29716	2.5
169.13205	2.4
177.10204	3.1
178.08669	3.6
182.04439	3.6
188.09386	2.6
205.09770	11.4
206.08221	7.7
208.09608	6.0
223.10747	3.9
224.09160	5.5
251.10199	8.0
252.08682	5.1
259.12881	2.6
269.11380	12.8
270.09839	5.3
273.08673	2.8
287.12415	9.9
325.88358	2.8
379.18768	4.2
397.19577	10.9
398.18030	6.6
415.20724	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2326
Annotation	Dendromoniliside A
Peak:m/z	Relative Intensity
51.93440	7.0
55.05499	15.4
56.82178	8.2
57.07062	9.2
57.51087	7.6
59.04988	16.9
61.02915	7.8
67.05496	25.2
69.03410	16.2
69.07047	15.2
70.62386	9.9
72.08138	10.2
73.20415	8.3
75.33050	8.8
79.05473	10.8
81.07060	56.4
83.04960	14.1
83.73345	11.1
85.02903	37.9
85.06532	12.2
86.09726	15.3
91.05463	28.7
93.07034	30.7
95.04967	18.8
95.08575	52.7
97.02922	11.5
102.48780	9.7
105.07044	15.2
107.05006	11.5
109.10158	15.0
117.87358	11.8
119.08588	25.3
131.08572	21.4
133.10135	26.6
135.08081	14.0
135.11758	13.5
140.34695	9.6
145.10159	12.9
149.09576	17.8
150.37392	11.2
159.11725	17.4
161.09653	15.5
177.12796	70.6
195.13875	41.9
201.12706	15.1
217.15822	62.5
227.92021	12.2
235.16896	100.0
253.17952	14.5
262.07935	12.0
331.15256	11.9
346.60977	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	415.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	12.8
55.05489	13.5
57.07053	11.6
59.04986	17.2
67.05492	32.7
69.07030	15.9
69.71608	10.7
71.08537	11.3
76.18388	11.6
79.05489	20.7
81.07041	50.1
83.04967	19.2
85.02885	53.7
85.06519	18.0
86.09689	14.8
91.05461	22.4
93.07034	32.8
95.04959	38.9
95.08603	89.9
97.02871	18.0
105.06996	34.8
107.04955	17.3
109.06548	21.1
117.06999	10.5
119.08591	20.3
121.06487	23.6
131.08595	26.3
133.06471	14.6
133.10135	29.1
135.08044	21.6
143.08540	18.0
149.09578	15.3
161.09636	19.8
171.08424	11.0
177.12749	80.6
177.54095	11.0
187.71764	11.4
195.13838	31.5
217.15862	59.7
226.43327	14.7
235.16850	100.0
308.19049	15.1
383.28250	14.8
397.17303	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	415.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00748	7.0
55.01846	11.9
55.05494	28.5
57.07055	7.1
58.34821	5.9
58.35447	5.3
58.85281	6.0
61.07668	5.3
62.07731	5.6
64.00939	5.7
64.06236	5.3
67.05484	38.3
69.03413	6.2
69.07047	28.8
79.05466	26.7
81.07043	62.9
83.08597	16.7
85.06518	8.4
91.05461	31.4
93.07030	31.7
95.04995	9.5
95.08593	43.0
97.10117	8.3
105.07018	32.6
107.04935	36.2
107.08575	25.2
109.10149	16.7
117.06995	9.5
118.93204	8.0
119.08598	15.5
121.06516	14.3
121.10151	16.3
122.14441	7.6
133.06482	32.9
139.03925	8.1
143.08615	8.4
143.17622	7.8
145.06448	25.7
147.08023	35.1
147.11679	9.2
157.06488	19.3
159.08022	12.6
160.40227	8.8
161.06024	9.2
175.07509	8.8
198.96788	7.6
199.11250	8.7
201.12654	8.5
287.91907	7.6
307.20514	9.0
315.05130	8.2
325.21344	36.0
343.22684	100.0
361.23706	40.6
379.24506	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	415.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63055	7.5
55.01876	12.0
55.05502	25.5
67.05499	57.2
69.07054	39.8
72.08183	10.7
72.15257	9.4
75.72400	8.9
77.32668	9.0
79.05454	23.3
81.07046	35.8
83.05003	14.0
85.06521	16.6
91.05457	23.5
93.07050	39.0
95.04935	16.3
95.08603	41.4
105.07034	29.9
107.04945	34.5
107.08591	21.1
109.10130	16.2
111.08063	16.2
111.34866	11.2
117.06974	12.1
119.08610	14.2
121.06541	22.1
121.10185	21.3
130.88885	9.7
133.06520	46.9
133.10107	11.9
135.11685	10.6
145.06509	35.9
145.10155	12.7
147.08057	46.3
157.06462	13.8
159.08064	13.7
161.06017	23.1
161.09633	13.9
223.56372	11.0
318.85669	10.9
325.21606	34.2
343.22739	100.0
360.59030	13.2
361.23581	48.6
379.24753	88.5
415.22876	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	415.269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75709	2.4
53.00286	4.7
53.03942	4.6
53.30208	2.4
55.01859	4.9
55.05504	56.5
57.03427	27.4
57.06839	3.0
57.07069	36.5
66.19294	2.4
67.05495	51.6
67.88863	2.3
68.99775	2.8
69.06680	5.3
69.07057	100.0
71.04975	3.6
71.08616	18.6
79.05491	21.8
81.07047	81.7
83.04963	4.0
83.08617	69.5
85.06525	3.0
85.10172	10.3
87.00821	22.6
91.05473	11.2
93.07030	38.9
95.08601	56.1
96.40776	2.6
97.06544	15.6
97.10157	45.3
99.08109	5.5
101.06029	3.7
105.01858	15.2
107.08574	25.1
109.10123	14.7
111.08064	7.5
111.11733	10.4
119.08571	26.4
121.10133	39.5
122.64673	2.9
123.11719	18.0
125.05974	3.0
125.09643	5.7
133.10062	3.3
135.11682	31.2
137.13245	12.6
137.64267	2.7
139.11205	3.4
143.03386	6.6
147.04475	4.1
149.13249	19.1
149.48071	3.1
151.14792	4.1
153.12747	4.4
163.14827	9.0
167.14349	5.8
171.93042	2.9
219.21071	29.4
237.22102	84.2
255.23201	45.4
296.25696	6.6
297.24170	4.6
323.22070	5.7
329.26910	13.9
341.23157	10.7
397.25717	8.5
415.26788	41.0
420.49762	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	415.282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44757	6.5
56.43244	6.4
57.75906	5.6
62.25518	6.8
67.05502	7.8
81.07027	7.4
100.18133	7.3
108.39032	6.9
119.08613	13.8
182.19215	7.9
204.91805	9.1
223.63721	7.3
415.28220	100.0
436.47650	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	415.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57985	3.4
77.56084	3.5
79.93874	3.5
83.77763	3.5
88.72120	3.6
89.73452	4.1
115.02708	5.0
116.01733	3.8
119.08561	11.4
122.07668	3.5
200.76025	4.2
212.47826	4.5
243.51096	3.9
283.90030	4.6
415.28174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79845	1.0
56.30193	1.1
84.88685	1.2
91.71593	2.1
101.81715	1.4
120.34631	1.5
133.79604	1.4
188.99580	1.4
232.74103	1.3
330.77597	1.5
335.57083	1.5
387.53958	2.0
389.24237	1.6
393.73480	1.8
415.30270	100.0
416.30313	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	415.3567
Annotation	4alpha-formyl-5alpha-cholesta-8-en-3beta-ol
Peak:m/z	Relative Intensity
51.34903	21.6
57.07067	30.4
58.17859	20.8
67.05495	33.9
81.07051	38.8
91.05462	29.5
93.07028	34.1
95.08585	53.3
99.07694	25.2
104.76181	29.2
105.07024	35.3
107.08533	31.1
119.08567	40.9
121.09996	23.8
131.21245	26.9
397.34464	31.6
415.27808	36.6
415.35663	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77869	12.7
55.05494	20.9
61.44742	12.9
67.05486	33.8
68.87027	14.8
69.07057	30.5
71.04990	17.3
79.05501	29.9
81.07037	100.0
91.05484	30.1
93.07047	84.7
95.08596	93.4
101.74193	15.2
105.07021	36.1
107.08583	82.0
109.10148	65.9
112.40228	15.2
119.08559	63.7
121.10146	62.7
123.11700	19.0
127.11173	30.6
129.89220	15.1
133.10115	50.4
135.11679	73.5
147.11667	34.9
149.13237	30.5
159.11755	30.0
161.13319	33.0
171.74545	16.0
177.16492	17.0
189.16406	26.1
196.81306	16.0
268.81277	16.8
314.89590	18.7
331.04361	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	416.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87219	4.7
55.05499	5.3
57.07060	20.3
63.01227	4.1
69.03408	4.8
79.81725	5.0
80.85531	4.9
81.07077	4.7
83.08600	5.5
85.02943	4.7
86.09718	9.7
86.23031	4.7
89.71486	4.8
91.05466	6.8
93.07001	5.1
95.08592	8.6
105.06992	12.1
107.08594	7.1
110.35509	4.5
119.08627	6.2
129.16389	5.7
131.08517	6.6
133.06491	5.1
143.08542	9.7
145.10170	7.1
150.09119	10.4
159.08003	12.6
161.09566	11.2
163.03859	12.0
171.08133	7.1
173.09679	6.7
175.03906	5.3
175.38640	5.4
187.07637	12.8
215.07004	16.2
255.13919	5.8
276.56009	6.6
289.14459	8.7
301.14212	7.4
317.13837	8.7
322.55783	6.3
335.15228	6.9
345.13361	11.6
363.14371	26.9
363.18271	5.7
381.15390	100.0
399.16541	96.5
416.19489	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	416.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66591	0.5
56.05014	1.3
70.06573	2.1
72.08158	5.1
80.51453	0.7
81.04504	0.8
83.06097	7.8
84.04495	1.4
86.06068	1.3
86.09705	4.8
93.04532	4.6
110.07157	100.0
120.08073	1.4
124.72126	0.6
138.06572	0.7
140.72624	0.6
143.11783	0.9
156.07703	2.1
175.03941	2.0
182.09695	0.7
192.07788	0.8
192.47072	0.6
196.49413	0.7
199.37344	0.6
212.11882	0.8
223.11935	1.6
237.07617	2.1
251.11374	10.2
285.13345	1.1
303.14490	5.2
398.18268	1.6
416.19308	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	416.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	17.5
66.56409	3.6
67.03869	3.4
69.18268	3.4
71.69172	4.4
76.75581	3.9
82.53374	3.7
82.68217	3.9
165.69031	4.2
187.13550	12.4
200.14316	6.3
253.15030	4.8
261.87643	4.5
281.17850	8.7
295.19327	5.5
309.17239	7.1
311.18872	30.4
313.20438	38.9
331.21576	8.0
336.21985	20.0
352.21640	15.9
354.23138	43.6
356.24783	16.3
374.25763	7.9
377.24734	15.3
397.27371	27.5
416.26709	35.7
416.31610	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50583	0.6
55.05515	3.3
55.18569	0.7
65.03933	0.8
67.05495	16.4
67.05826	0.9
69.07066	5.2
77.85334	0.7
79.05484	8.0
81.07052	17.5
83.08635	3.5
91.05469	12.4
91.05959	0.9
93.07025	10.7
95.05029	1.1
95.08601	14.3
95.09145	1.0
96.13303	0.7
97.10188	1.9
105.07063	1.5
107.08591	5.3
109.10146	6.3
111.08131	0.9
111.11761	1.4
119.04938	21.9
119.08661	1.2
121.10143	15.4
121.10960	1.0
123.04457	2.6
123.08099	1.0
123.11752	1.3
125.09686	2.2
130.06558	1.0
135.11688	16.0
135.12642	1.1
136.44321	0.8
147.04405	100.0
149.13293	1.6
161.13232	1.0
165.05469	22.7
217.16168	1.0
217.19514	5.9
235.20534	15.2
254.45917	0.9
272.64011	0.9
303.03568	0.8
304.78207	0.9
416.31210	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.5
57.86750	2.1
67.05492	15.4
69.07046	5.0
79.05489	9.2
81.07034	14.3
83.08640	5.6
91.05467	14.5
93.07027	11.9
95.08602	17.0
97.10188	3.2
105.07010	2.8
107.08596	7.8
109.10139	6.8
119.04933	22.5
119.95316	3.1
120.20759	3.1
121.10119	18.0
135.11713	18.9
138.99088	2.6
147.04402	100.0
158.15909	3.3
163.26616	2.9
165.05446	20.1
173.90445	2.9
195.92332	2.6
217.19525	6.5
235.20543	20.5
250.89102	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	416.3521
Annotation	Soladulcidine
Peak:m/z	Relative Intensity
54.41033	4.0
55.05497	6.2
60.38761	4.0
65.26984	3.9
67.05484	7.6
69.03410	18.7
73.86346	4.9
81.91150	5.0
87.04459	52.5
92.53576	4.9
92.68124	5.1
94.06555	7.8
97.04977	5.3
106.06546	100.0
147.04420	13.9
174.09152	15.4
244.93106	5.8
330.31784	10.3
359.26898	5.9
398.34015	8.4
416.35205	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
64.26432	1.6
64.44834	1.6
65.03915	3.7
67.05491	3.7
79.05482	2.0
81.03400	17.6
82.76759	2.0
91.05468	3.5
94.04181	2.9
95.04965	4.4
103.05460	4.9
105.07048	2.5
108.02067	3.0
109.06521	2.6
115.05414	3.6
117.07069	2.8
122.03629	6.6
128.06226	2.6
129.06987	12.5
131.04936	7.3
137.05968	86.3
141.05496	4.7
143.04878	3.9
147.08080	2.5
151.03902	100.0
151.04999	9.3
152.04192	2.8
155.83212	2.0
157.06487	9.2
165.62448	2.7
167.07043	5.7
171.04398	3.7
172.61508	2.1
175.07541	2.9
187.07605	3.2
189.09109	9.3
203.06984	11.4
205.08566	4.9
210.60954	2.4
215.07111	8.0
216.33743	2.3
219.08142	3.5
247.07585	5.7
279.10187	5.8
307.09558	9.0
321.11194	4.5
327.12244	5.8
339.12302	11.2
357.13293	8.8
394.34424	2.5
394.39963	2.8
399.14694	3.9
417.14417	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	417.1543
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
51.29258	0.5
51.54572	0.6
52.05919	0.6
54.72972	0.6
60.96587	0.6
65.03924	2.5
67.05499	1.0
78.04692	4.1
79.05485	1.3
80.25159	0.6
81.07050	1.0
85.02900	1.4
88.86343	0.6
91.05466	1.1
95.04967	2.0
95.92305	0.7
103.25165	0.7
106.04142	1.2
107.04920	1.2
115.05444	3.2
117.07000	6.6
123.04418	7.1
124.05222	2.5
127.05404	1.2
132.20984	0.7
137.05946	1.0
145.06477	10.8
151.03906	1.8
152.04657	2.6
152.22189	0.6
155.06030	2.9
167.07019	100.0
168.07397	0.9
171.06525	1.2
173.05969	15.0
181.04941	16.4
205.08548	2.3
233.08052	5.8
235.09657	2.8
251.88550	0.7
261.53119	0.7
264.39459	0.8
379.18051	0.7
380.88821	0.7
387.14325	8.6
417.15350	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	417.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	85.9
73.30168	9.3
75.85097	8.1
84.74435	9.2
85.06547	49.4
91.05492	9.2
91.71762	9.9
95.04923	9.5
97.02888	32.1
105.07005	62.1
105.28053	8.6
105.66318	8.0
121.06498	12.2
121.10905	10.0
123.04375	11.8
123.08047	30.3
133.06487	21.6
137.05997	27.7
161.06015	45.9
167.06923	9.7
175.07539	19.0
185.06084	13.9
189.12732	12.0
191.03381	18.4
203.07071	40.8
204.82509	10.9
217.12169	100.0
235.13313	17.1
239.88982	9.5
246.12428	48.7
250.69276	12.4
290.51160	10.9
329.28992	10.7
371.81830	12.2
440.83798	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	417.1542
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
60.25107	1.1
60.49360	1.0
65.03919	2.5
67.05486	2.9
69.03421	1.8
78.04715	3.5
79.05485	2.0
81.07027	1.4
82.68476	1.3
85.02895	2.3
91.05494	2.8
93.07041	2.1
106.04150	2.0
107.04923	2.2
115.05438	4.8
117.07005	6.7
121.10159	2.7
123.04439	7.7
124.05199	3.1
125.09572	1.4
143.74928	1.5
145.06445	10.5
149.74275	1.4
151.03929	1.6
152.04715	2.3
167.07014	100.0
173.05960	16.3
181.04939	20.3
198.12350	1.4
205.08662	2.9
233.08037	6.5
235.09653	2.9
237.18552	1.5
244.32774	1.4
379.06107	1.4
387.14194	7.4
417.15390	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	417.1695
Annotation	munetone
Peak:m/z	Relative Intensity
59.33321	25.1
67.05492	32.6
68.53526	25.8
81.06569	33.8
81.07039	50.1
105.07061	35.2
106.34023	33.7
111.35585	29.3
168.51796	29.8
185.76938	38.9
283.93503	36.9
376.19543	58.8
376.31924	65.1
417.16986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1884
Annotation	Asn Phe His
Peak:m/z	Relative Intensity
57.07066	4.3
59.26393	3.9
67.13328	4.4
75.62127	4.6
78.31919	4.2
88.48071	4.7
91.71026	3.9
97.04993	4.9
99.11516	4.7
121.57632	4.7
140.10124	4.7
145.06577	6.0
167.07039	20.9
169.44702	5.1
181.04938	9.2
317.14526	5.5
417.19031	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	10.2
61.90229	4.1
62.49626	4.4
63.81373	4.8
65.03943	8.1
65.04893	4.6
69.07041	5.3
83.04999	5.3
93.07051	5.0
105.07028	7.8
105.46454	5.3
107.04960	8.1
128.06224	12.6
129.07028	21.4
137.05969	17.8
141.07076	8.9
143.08601	9.1
145.06406	6.1
157.06454	16.9
162.52599	5.6
167.03368	100.0
167.07048	7.0
171.07962	7.3
198.06725	7.0
241.12212	95.5
290.86530	5.6
376.37213	6.6
381.16977	41.0
399.17874	12.1
417.15115	14.5
441.25433	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	417.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	5.6
53.93663	5.5
55.05511	5.6
57.07067	100.0
57.42025	4.9
64.85912	4.6
67.05485	11.9
69.03419	11.0
81.07023	11.8
85.06536	48.3
91.05495	7.8
95.08620	10.3
104.58688	6.4
105.07019	12.1
119.08543	8.9
121.82293	6.6
122.18318	5.7
127.07516	11.8
130.43277	5.5
137.02332	10.6
137.09583	12.2
145.99722	5.6
147.04379	19.0
147.07991	7.1
175.03928	14.3
205.15848	16.9
207.06516	20.7
217.55489	6.7
223.51727	6.2
233.15277	52.9
251.65079	7.5
288.99252	6.5
291.12308	23.6
405.74081	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	417.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45443	0.8
55.05502	2.2
56.05001	0.8
57.31741	1.0
58.03032	0.8
58.06588	3.1
60.04523	1.0
69.07053	2.2
70.06583	10.5
72.08147	23.2
74.06081	1.0
79.05491	0.9
84.04487	3.8
84.08134	100.0
86.09695	20.3
86.10201	1.5
102.05531	2.5
105.98220	1.0
116.07076	2.0
123.04454	2.8
125.76910	1.2
127.12307	35.4
129.06577	1.2
139.03908	1.8
139.41322	1.0
147.07677	1.3
151.03969	2.2
173.12782	1.5
174.41182	1.0
175.10771	1.9
183.11328	1.1
191.07060	3.7
193.08646	1.7
201.12411	1.9
213.15926	1.2
215.13940	2.0
229.11809	1.1
243.13405	1.3
326.76355	1.2
392.49960	1.1
417.20261	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	417.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.0
55.05497	28.5
56.96537	5.6
57.03418	20.6
67.05492	100.0
69.03418	26.0
69.07053	38.5
69.67229	7.0
69.76353	7.0
69.97054	5.6
70.06544	7.4
71.04986	32.8
79.05466	24.8
81.03392	25.9
81.07052	51.3
83.04994	17.6
83.78175	7.2
85.02892	87.3
91.05473	32.6
93.07027	51.4
95.04971	13.1
95.08592	71.6
97.02829	12.4
97.06537	12.7
99.04451	65.3
100.11268	15.8
102.19450	7.2
105.07040	14.2
106.07713	7.0
106.17398	7.1
107.08616	9.7
109.02894	12.3
109.10112	42.3
111.04427	10.6
115.04034	7.1
117.07040	22.7
119.08585	21.5
121.06530	13.0
121.10159	35.9
122.98180	8.5
127.03939	15.0
131.08563	16.7
137.09627	48.8
139.11157	47.4
145.05013	14.0
145.10175	11.0
153.12767	8.1
157.10201	7.6
159.11705	36.0
167.35344	8.1
173.13171	10.1
182.15396	9.2
191.14339	8.9
219.13731	40.8
227.32813	9.4
237.14841	50.5
268.52887	8.3
332.90878	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	417.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07287	3.2
50.81979	3.9
51.71582	3.4
55.05494	13.7
55.42607	4.3
55.99929	4.1
57.03424	7.6
65.45632	3.8
67.05499	80.2
68.07314	4.6
69.03408	11.8
69.07059	18.6
71.04990	30.2
74.48082	4.6
76.85449	4.4
78.68067	4.2
79.05492	23.0
80.75690	4.5
81.03411	8.3
81.07048	35.0
83.04968	4.3
85.02897	58.8
87.04440	5.0
91.05469	25.3
93.07042	53.2
95.04984	11.0
95.08598	100.0
97.06546	9.5
97.33886	4.7
98.26990	4.7
99.04455	19.9
105.07030	13.2
107.08597	17.5
109.06499	8.4
109.10150	31.6
117.07031	11.3
119.08608	20.2
121.10138	27.2
123.11778	5.5
127.03934	6.0
129.07063	5.2
131.08551	12.4
135.08064	6.2
135.11697	9.0
137.09631	19.8
138.08936	4.1
139.11174	20.6
144.09366	4.3
145.10138	8.1
147.07999	6.7
151.16765	4.2
159.11655	23.7
167.06927	5.9
172.96080	4.6
173.13283	9.5
183.11789	6.6
201.12801	5.2
219.13806	17.3
252.31505	5.2
261.90094	5.1
327.76663	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	417.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	5.1
69.07055	2.9
70.06593	13.4
72.08150	67.1
74.06077	2.2
84.04507	4.1
84.08131	6.4
86.09701	100.0
97.02882	2.7
108.90564	2.3
116.07113	4.3
136.06201	8.3
143.11807	20.3
148.06133	2.7
165.15755	2.5
171.11295	13.4
182.95549	2.0
199.49873	1.9
201.12434	2.3
203.13942	3.1
215.10536	3.6
229.11908	3.7
247.12874	18.5
310.52383	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	417.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36079	1.2
54.38027	1.0
55.05513	6.7
57.05800	1.2
58.06594	2.0
60.04486	1.1
65.44496	1.3
67.05466	1.4
69.07051	3.4
70.06583	9.4
72.08147	100.0
84.04499	4.4
84.08136	45.2
85.02931	1.4
86.09698	32.3
88.04020	3.2
90.05551	7.7
96.08118	1.8
102.05548	3.6
116.07085	3.5
120.08093	1.9
123.04494	2.2
124.07555	2.1
127.12312	14.2
128.54347	1.5
130.79425	1.4
136.06126	6.5
141.10228	2.0
143.11801	10.0
147.04413	3.0
148.06044	5.8
156.10178	2.5
157.13409	2.2
171.11227	6.8
189.12317	6.7
201.12354	16.0
215.13898	1.8
220.57237	1.7
229.11772	9.4
229.15456	1.7
247.12917	5.9
270.17972	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37829	4.7
55.05485	18.5
57.07047	10.8
57.24535	5.0
59.38094	4.9
67.05172	8.4
67.05495	100.0
69.07058	11.2
73.39871	5.9
78.32534	6.3
79.05471	25.7
81.07049	96.5
83.08587	10.7
84.88300	5.0
91.05473	24.2
93.07037	32.1
95.08593	90.6
98.98461	84.9
105.07012	7.0
107.08595	18.0
109.10145	32.2
109.29940	6.2
112.31099	6.8
119.04980	10.8
119.08553	12.8
120.09742	5.1
121.10159	23.1
123.11668	13.4
125.33636	5.9
133.10120	16.0
135.11702	11.8
137.13268	7.5
140.01080	10.3
147.04388	40.0
149.13239	8.6
151.14792	7.6
155.01030	69.1
161.13269	8.9
165.05464	8.9
165.16338	7.6
170.69322	6.2
175.14844	9.5
196.03729	7.4
213.18733	6.3
245.22575	18.2
252.20200	7.3
263.23666	39.1
278.11621	6.9
325.33182	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	417.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	22.5
56.73655	5.9
57.03413	8.8
65.03941	7.8
66.99493	6.1
67.05491	66.1
67.77291	6.3
69.07041	26.6
79.05473	43.8
81.07045	61.8
83.08608	16.1
85.06505	6.9
91.05465	100.0
93.07037	39.9
95.04955	11.9
95.08602	53.3
105.07026	39.6
107.08610	15.6
109.10110	14.9
117.06998	45.6
119.04928	27.3
119.08566	29.5
121.10128	34.3
129.06973	36.4
131.08572	61.9
132.25146	7.5
133.10118	16.6
135.08015	9.7
135.11674	21.5
141.07001	15.6
143.08499	18.6
145.10081	41.9
147.04401	93.0
147.11678	7.7
147.22911	8.9
157.10103	16.8
159.08044	9.3
159.11684	9.2
165.05464	24.9
169.10152	11.7
171.11661	15.1
183.11777	7.7
187.11086	9.7
199.11214	10.9
235.20476	7.8
297.22098	14.3
315.23248	23.0
325.21518	50.6
343.22482	16.1
353.68896	7.7
399.24835	14.9
417.26367	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	417.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36234	4.9
52.10033	5.0
55.05497	20.6
57.34948	5.4
58.92019	6.5
59.38433	6.1
63.24725	6.3
67.05492	54.1
69.07052	20.4
69.17408	6.0
72.98141	6.1
73.41861	6.7
74.16720	6.0
78.05473	6.3
79.05479	32.4
81.07048	63.5
81.62318	6.9
83.08596	11.1
83.20717	6.5
91.05468	57.0
91.71635	8.7
93.07043	39.6
95.04933	6.7
95.08566	37.5
97.10134	7.1
105.07011	44.7
106.94569	7.3
107.08578	21.3
109.10151	13.1
117.07000	27.8
119.04929	12.3
119.08586	18.8
121.10110	15.1
129.06987	20.6
131.08588	37.5
133.10165	14.7
135.07941	9.2
135.11661	15.0
143.08612	21.3
145.06519	9.7
145.10147	19.0
147.04391	60.9
155.08612	11.3
157.10126	13.3
159.11688	16.1
165.05521	19.1
169.10136	11.3
170.21370	7.8
171.11630	12.5
181.10156	11.3
251.31430	8.6
286.62650	8.9
325.21631	20.5
343.22656	11.2
417.26318	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	23.8
63.78991	7.8
67.05493	78.9
69.07053	25.1
69.71805	8.4
79.05477	52.7
81.07047	85.8
83.08613	11.7
87.62486	9.2
90.03695	10.8
90.12332	8.8
91.05477	66.5
93.07063	52.4
95.04980	15.5
95.08593	45.5
97.06480	9.1
105.07018	54.7
107.08572	30.1
108.89224	10.4
109.10168	12.1
109.91852	9.7
117.07019	37.8
119.04964	17.1
119.08584	38.0
121.10155	25.1
129.06998	14.3
131.08583	52.3
135.11723	18.7
143.08582	15.8
145.10135	29.5
147.04378	71.9
153.03734	10.2
155.08559	10.4
157.10147	16.8
159.11638	16.1
165.05460	25.1
171.11719	14.9
174.07654	12.2
183.11765	11.0
199.11140	19.4
246.34174	12.0
315.23123	11.0
325.21582	34.0
343.22699	30.4
344.33936	11.3
366.57919	12.1
417.26407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2632
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
51.05470	1.5
55.05500	4.0
57.07069	1.7
61.00520	1.5
67.05492	30.5
69.07056	5.1
79.05481	8.0
81.07047	27.1
83.08616	2.8
91.05471	16.3
93.07026	11.7
95.08600	32.6
97.10172	2.3
97.98146	2.0
98.14450	1.9
98.98487	9.5
107.08602	6.9
107.75694	1.8
109.10160	8.9
114.60220	1.8
119.04944	31.0
121.10132	18.6
122.54987	1.7
123.11735	3.5
130.22389	1.6
135.11688	21.2
143.43604	1.7
147.04402	100.0
149.13220	3.2
153.55623	1.7
155.01060	7.2
161.13214	2.3
161.23412	2.1
165.05470	34.4
181.82158	1.9
210.07918	2.3
217.19504	3.5
235.20650	3.5
245.22574	2.2
253.21645	2.2
263.23645	4.7
390.11319	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00306	4.4
55.05503	10.7
67.05498	76.0
69.07047	8.8
79.05490	16.2
81.07051	64.2
83.08591	6.7
91.05479	24.3
93.07034	26.5
95.08600	71.9
98.98443	31.0
107.08607	12.2
109.10152	26.1
119.04924	38.6
121.10143	23.4
123.11684	6.8
133.10118	6.8
135.11700	25.4
135.42091	5.7
147.04411	100.0
153.10049	6.4
155.01057	31.8
165.05482	26.6
177.48119	6.7
197.84682	5.5
200.76941	5.6
235.20642	12.4
253.21471	7.5
260.47586	6.1
263.23846	12.8
267.44055	6.7
319.04260	7.9
407.60504	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	417.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.3
55.64933	1.2
65.03939	2.2
67.05501	21.9
69.07052	2.6
70.16303	1.2
70.81647	1.2
79.05489	7.6
79.80892	1.3
81.07063	17.8
83.08614	3.1
91.05482	14.3
93.07047	8.7
94.08947	1.5
95.04998	1.9
95.08604	21.1
99.08073	1.5
107.08588	4.9
109.10173	6.9
117.49132	1.4
119.04942	29.4
121.10156	17.4
123.11682	1.7
135.11687	17.0
147.04410	100.0
149.13287	2.6
165.05481	29.1
235.20520	3.4
255.07744	1.6
443.21753	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	417.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46620	6.4
55.05508	52.6
57.03420	39.9
57.07064	37.3
58.82104	7.3
60.13154	6.9
60.21925	7.0
67.05495	77.4
69.07056	71.9
71.08618	19.2
79.05482	26.1
81.07044	100.0
83.08600	66.3
93.07025	56.3
95.08598	61.5
97.06529	28.0
97.10152	37.6
100.05392	8.1
105.08012	10.4
107.08601	31.5
107.65835	8.4
109.10155	37.8
111.08057	15.4
111.11718	14.3
121.10141	37.0
123.11721	14.9
132.41644	8.0
135.11688	27.7
137.02394	8.8
139.11113	13.7
144.43570	10.4
149.13226	21.2
150.71848	9.8
205.19458	22.0
222.06279	9.8
223.20503	16.5
251.20074	9.5
269.21057	15.3
287.22098	96.6
325.23764	42.8
326.60956	9.8
343.24799	45.5
417.28424	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	417.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12563	4.8
55.05507	43.6
57.03425	35.0
57.07072	39.8
67.05494	63.3
69.07052	83.0
71.08622	19.3
75.04458	7.3
79.05497	15.7
80.09675	6.5
81.07048	100.0
83.08606	64.2
85.06570	9.3
85.10170	8.0
91.05456	7.7
93.07028	46.0
95.08595	69.9
97.06526	16.6
97.10172	33.0
97.80375	7.2
105.07011	7.9
107.08580	27.2
109.10134	33.9
111.08092	8.3
111.11723	9.6
119.04956	6.3
121.10139	38.9
123.11745	14.0
125.09613	10.4
133.10146	14.0
135.11717	32.0
147.04378	14.5
149.13263	18.6
163.14761	8.3
205.19540	26.3
223.20503	11.4
287.22141	72.9
325.23831	24.7
343.24673	38.0
379.64758	7.2
399.27289	14.3
417.28354	43.6
437.64252	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	417.3338
Annotation	(25S)-5beta-spirostan-3beta-ol
Peak:m/z	Relative Intensity
56.72803	1.8
67.05479	7.4
67.77614	1.8
75.02872	2.1
76.99429	2.0
79.05460	3.5
81.07055	5.9
91.05469	3.3
91.74283	2.1
95.08583	7.8
107.08575	2.7
119.04954	8.0
119.51800	2.4
121.10120	6.3
135.11687	7.0
147.04378	28.6
165.05496	7.6
359.29126	6.7
417.33359	100.0
418.33643	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	418.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75599	1.5
55.01867	3.0
60.83345	1.7
68.96389	1.6
69.03416	2.7
69.11210	1.7
70.06580	13.6
72.08141	9.5
81.09905	2.1
84.04489	4.8
85.02893	3.3
86.09687	12.5
87.27445	2.1
91.05455	4.2
91.71629	2.0
93.07059	5.0
95.04979	3.9
111.04472	2.2
116.07082	9.6
116.40458	1.9
119.04954	2.7
123.04428	45.0
127.03886	2.5
135.04408	5.0
136.06213	3.3
139.03915	18.2
147.04393	20.3
151.03902	67.3
161.05960	4.3
163.03894	7.7
165.05486	8.2
170.20299	2.1
173.06007	4.1
173.16946	2.2
179.06992	4.1
181.05002	7.3
193.04982	5.8
207.06633	5.2
285.07498	2.5
303.08600	100.0
303.37128	2.1
312.59308	2.1
344.82355	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	418.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.6
56.96532	0.5
57.03423	1.1
61.02898	0.7
67.55773	0.6
68.24430	0.6
69.03403	1.8
70.06590	1.1
72.08131	0.6
81.03419	1.1
85.02896	8.2
86.09697	3.5
91.05469	3.2
97.02883	2.1
99.04444	0.7
105.03392	1.4
105.06979	0.8
107.04935	5.7
110.10363	0.6
119.08534	3.2
121.06516	0.8
127.03888	1.0
127.18742	0.8
129.06985	0.9
131.08521	0.7
133.06471	5.6
145.04932	1.7
147.08032	34.3
149.09607	1.4
151.03893	10.3
157.06464	5.9
159.04396	4.3
159.08028	2.3
161.05997	4.5
175.07530	19.7
177.05600	0.8
177.09116	9.1
177.59328	0.7
185.06000	2.5
193.08620	6.7
203.07019	9.1
221.08073	100.0
238.10773	2.1
239.09152	7.2
282.80365	0.8
355.38165	0.8
394.57733	0.8
430.78113	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56021	0.6
53.20680	0.6
60.04508	0.9
62.92160	0.6
67.05470	1.4
78.36436	0.8
79.05473	1.6
81.07037	2.9
86.57405	0.7
87.81134	0.7
91.05444	0.9
93.07030	2.2
94.04060	1.1
95.08595	1.9
95.82404	0.8
105.07036	1.1
119.03566	1.5
121.10138	0.8
121.65831	0.8
136.06178	100.0
137.04593	2.2
147.04379	0.8
149.09648	0.9
162.07689	1.0
218.14017	1.7
234.33186	0.7
303.69647	0.9
400.23340	1.1
418.24429	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3313
Annotation	N-Oleoyl dopamine
Peak:m/z	Relative Intensity
55.05500	10.6
57.07056	7.8
61.98534	4.1
65.46483	4.1
67.05491	29.2
69.07064	11.2
70.06588	48.8
71.97583	4.4
81.07032	22.3
91.05448	8.6
93.07042	11.0
95.04963	19.3
95.08604	22.5
95.60019	4.7
95.85601	5.4
104.19920	5.0
104.59288	5.6
107.08640	7.2
109.06513	9.0
109.10178	9.6
111.04354	4.8
112.07585	7.8
113.01758	5.2
119.04869	7.1
121.10085	8.1
125.05986	5.1
135.11707	14.5
138.05502	11.4
147.04399	36.7
148.63293	5.0
149.98485	6.1
154.08620	30.2
165.05531	10.2
192.38470	5.5
216.22438	5.7
217.04263	5.0
226.31017	5.9
231.36322	5.6
270.04224	5.3
272.57007	5.6
292.44302	6.0
401.30231	9.6
418.33136	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3314
Annotation	CB-86
Peak:m/z	Relative Intensity
50.97287	0.8
51.52439	0.9
54.13835	0.8
55.05493	1.0
60.04518	8.1
66.91281	1.1
67.05475	2.6
77.67380	1.1
81.07040	1.6
93.07047	1.4
107.91103	1.1
113.40795	1.0
144.36392	1.3
147.04393	4.7
147.10417	5.9
148.27113	1.2
160.11226	2.1
189.15091	8.5
202.15909	6.4
239.23018	1.3
254.24760	2.8
254.30147	1.3
271.07236	1.2
300.76776	1.6
370.45178	1.4
400.32101	3.0
418.33130	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	12.1
67.05492	9.5
69.07041	13.3
74.74347	6.2
74.75599	6.1
75.76655	5.1
81.07043	10.6
82.22113	5.3
91.71011	14.7
92.52122	5.9
95.08571	7.2
95.18250	6.8
118.06559	24.1
130.06519	100.0
132.08107	10.0
146.05902	7.4
147.04417	12.7
148.80653	7.0
160.07646	11.9
180.89778	6.8
224.82855	7.4
235.09875	7.6
252.13335	8.1
266.09540	6.9
337.77203	7.9
345.99295	7.4
354.31308	8.4
395.69153	7.9
400.32162	42.7
418.33252	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0972
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
53.73334	1.2
57.03427	11.5
57.55517	1.2
61.02926	3.1
73.02912	16.1
74.35593	1.4
100.11279	1.5
106.46588	1.9
111.00821	1.8
121.02866	4.5
122.22241	1.7
152.28932	1.5
153.01839	5.3
165.01810	2.0
241.04904	2.4
251.29857	2.0
287.05493	100.0
287.91864	1.8
399.80606	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	419.1336
Annotation	Neoisoliquiritin
Peak:m/z	Relative Intensity
50.74361	2.3
55.01850	5.1
55.05498	6.3
67.05481	2.6
69.03420	13.8
72.63292	2.7
73.56860	2.5
78.70376	2.7
79.05473	3.3
80.23782	3.2
81.03412	7.4
81.07070	4.5
83.04951	21.5
85.02846	3.5
90.75299	2.6
91.05466	16.7
97.02887	9.0
105.06956	4.1
107.04940	19.3
107.08589	3.8
109.02879	12.9
111.04436	11.8
115.05440	4.2
119.04950	28.8
125.31886	3.5
127.03976	4.2
131.04945	3.2
132.22160	2.8
133.06480	5.0
135.40079	3.0
142.27690	3.1
143.04930	6.1
145.06500	3.3
147.04402	100.0
150.61850	3.6
151.03877	9.3
159.04393	3.9
161.06012	12.3
165.07048	4.4
171.04416	12.7
175.03790	3.9
189.05539	9.9
197.06076	7.4
213.05408	4.2
239.07043	6.4
257.08020	18.4
293.10263	7.4
303.05057	16.0
304.28076	3.9
315.08710	4.6
345.82315	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	419.1333
Annotation	Neoisoliquiritigenin
Peak:m/z	Relative Intensity
53.03936	1.3
55.05496	4.2
56.96532	1.2
58.31531	1.3
65.03910	1.9
67.05488	1.3
69.03419	6.0
70.21772	1.2
81.03412	4.6
83.04969	23.7
85.43382	1.2
91.05463	17.8
91.71536	2.2
96.78551	1.6
97.02897	12.5
107.04949	17.9
109.02885	2.6
111.04472	8.0
119.04950	29.8
123.04472	3.8
134.85938	1.5
147.04401	100.0
151.03905	10.7
159.04431	2.0
160.05206	2.7
161.05975	4.1
173.05925	1.6
215.55547	1.7
239.07100	1.7
248.68094	1.6
257.08157	13.2
269.05994	1.7
276.11896	1.7
287.05618	2.3
291.08694	3.3
303.04922	4.1
398.79367	1.8
443.27963	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	419.1331
Annotation	Neoisoliquiritin
Peak:m/z	Relative Intensity
55.05511	3.4
58.35116	0.8
64.42885	0.8
65.03946	1.3
69.03418	7.0
73.02952	1.4
81.03408	4.2
83.04968	18.9
85.02912	1.6
91.05470	13.1
91.05975	1.1
91.71126	1.2
95.04984	1.3
97.02882	8.5
98.85738	0.8
99.04465	1.3
101.11619	0.8
107.04946	16.4
107.05590	1.2
109.02876	2.3
111.04450	5.9
119.04935	28.8
123.04478	3.7
133.06522	2.0
141.07031	1.0
147.04401	100.0
148.04863	1.0
151.03903	12.6
151.04909	1.2
159.04436	1.6
159.08191	0.9
160.05225	2.4
161.06042	3.7
165.05531	1.4
165.07018	1.2
165.98837	1.0
169.04980	3.1
183.08032	1.1
187.07643	1.6
197.05869	1.0
211.07506	2.1
215.02492	1.2
239.07005	1.7
257.08054	12.8
257.10141	1.1
291.08722	2.1
314.95276	1.1
318.26328	1.0
343.41370	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1334
Annotation	Neoisoliquiritin
Peak:m/z	Relative Intensity
53.03961	2.9
55.01875	3.5
55.05508	3.9
69.03423	19.8
70.94177	2.2
71.04387	2.2
71.05011	2.0
81.03407	12.4
83.04972	20.6
85.02912	2.9
91.05473	17.2
91.71648	2.3
95.05009	2.4
97.02882	12.0
100.48371	2.3
105.07010	4.2
107.04940	23.2
109.02905	10.5
111.04477	8.0
112.57651	2.0
115.05463	6.9
119.04930	27.9
119.74041	2.4
123.04430	6.1
124.82938	2.7
127.03957	3.4
131.04991	4.1
133.06544	10.6
143.04979	8.9
145.06523	3.8
147.04404	100.0
151.03886	13.3
157.06546	4.6
159.04460	4.7
160.05209	2.6
161.05946	11.1
165.07074	2.7
171.04362	13.4
173.05989	4.7
175.04001	4.2
177.05568	3.4
185.05971	2.8
189.05473	21.2
189.06981	2.5
197.06047	4.3
201.05423	3.6
211.07640	3.2
213.05516	5.2
223.70117	2.5
238.44415	2.5
239.07106	9.8
257.08066	19.6
260.83655	2.8
275.09354	4.6
293.10297	13.6
315.08627	4.8
358.41693	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	419.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	15.9
57.07068	11.7
60.00827	10.9
71.08675	12.4
80.02427	12.1
90.32319	11.6
100.36961	13.4
102.75869	12.4
105.07007	12.0
105.36758	12.3
107.04941	32.0
111.49442	12.5
115.67465	12.8
135.04378	29.4
140.04677	37.9
143.02301	12.5
155.07065	20.3
167.07037	67.1
173.05983	19.6
181.04932	87.1
205.08704	24.7
205.13870	15.8
217.08568	15.3
223.05988	32.1
232.08664	16.0
240.64314	14.4
269.08096	21.5
315.08582	65.1
321.07727	13.2
330.10956	100.0
353.10236	23.7
383.14902	16.7
401.12128	35.5
404.55042	14.2
419.16486	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	419.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26999	1.4
51.87163	1.5
55.01859	9.1
65.03922	5.0
67.05482	2.3
70.76898	1.4
80.80722	1.8
91.05460	3.8
94.04150	1.7
95.04951	4.1
103.05447	5.8
108.02089	4.1
110.80751	1.6
111.04416	2.4
119.04932	19.7
122.03649	4.7
128.06190	3.0
129.07005	12.9
131.04945	8.8
137.05968	53.1
139.76537	2.0
141.05453	5.6
145.06464	2.0
147.04411	21.7
151.03905	100.0
151.04991	8.8
151.07503	4.0
153.05466	2.9
157.06456	13.6
161.05933	3.7
162.06754	6.5
163.07559	7.1
168.81772	2.2
168.83434	1.9
174.06769	4.9
175.07498	4.0
178.54977	2.1
179.07016	13.6
185.05966	2.7
189.09071	19.6
191.07042	2.0
203.08449	4.0
205.88669	2.3
217.08630	8.7
231.08083	3.7
235.09683	7.9
248.08324	4.6
259.07489	2.5
263.10913	3.3
279.71863	2.3
291.10059	10.9
341.13785	46.5
359.14777	10.0
362.86230	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	419.1884
Annotation	Glu Arg Asp
Peak:m/z	Relative Intensity
54.76830	1.7
56.01945	1.6
59.21617	1.8
71.08611	2.0
84.04483	2.0
85.02912	3.5
88.42550	1.7
95.11731	1.7
107.08600	3.0
119.30267	1.8
203.50552	2.3
278.92365	2.5
419.18832	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1884
Annotation	Glu Arg Asp
Peak:m/z	Relative Intensity
54.76830	1.7
56.01945	1.6
59.21617	1.8
71.08611	2.0
84.04483	2.0
85.02912	3.5
88.42550	1.7
95.11731	1.7
107.08600	3.0
119.30267	1.8
203.50552	2.3
278.92365	2.5
419.18832	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82269	1.5
53.72359	1.2
65.64796	1.3
101.88410	1.4
117.82323	1.4
140.92090	1.3
161.99101	1.5
288.88107	1.4
290.99863	1.6
295.69098	1.5
351.19513	2.0
419.20346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	16.2
67.05489	19.5
69.07048	6.1
79.05470	21.9
81.07044	43.3
83.04987	6.9
86.12629	5.1
91.05470	38.8
93.07026	36.8
95.04960	12.6
95.08591	24.2
105.07032	44.9
107.04975	6.1
107.08569	35.3
109.06567	8.3
109.10144	5.8
117.07011	22.8
119.04959	12.2
119.08567	27.9
121.06505	7.1
121.10160	9.4
128.06168	7.2
129.07047	14.9
131.08548	33.2
137.05994	10.2
141.06976	11.5
142.07780	11.5
143.08559	29.6
145.10077	30.4
147.04419	11.6
147.08063	6.7
147.11702	11.3
149.06039	9.6
155.08568	20.1
156.09338	7.3
157.10092	30.2
159.08131	6.0
159.11690	23.2
165.78795	5.3
167.08595	8.7
169.10092	16.8
171.08044	8.5
171.11690	17.0
173.13232	10.4
180.09305	6.7
181.10115	19.2
183.11668	9.2
185.09653	18.6
185.13257	10.3
195.11671	25.6
197.09926	7.1
197.13210	9.7
199.11121	7.1
201.09084	6.7
203.10733	11.2
209.13300	19.6
211.11284	6.7
211.14819	9.2
223.14767	10.2
241.12202	6.7
251.17902	50.3
261.16418	10.0
269.19049	8.2
279.17413	62.6
282.01468	7.0
291.92767	6.1
297.18457	100.0
315.19516	23.1
401.19620	10.5
419.21051	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	419.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21433	3.3
55.01851	6.4
55.05497	10.1
56.96538	3.9
57.03447	3.9
57.07059	6.7
63.79374	3.5
66.55514	4.1
67.05503	21.7
67.84465	4.1
69.07050	21.6
70.06567	3.5
71.04989	4.7
71.08617	4.6
73.66671	4.2
79.01945	3.6
79.05485	20.3
81.07049	52.6
83.04982	7.2
85.02892	12.5
87.04455	4.7
91.04975	4.7
91.05479	21.3
91.71101	6.9
93.07044	22.7
95.04973	8.4
95.08599	36.7
99.04465	4.4
105.07034	35.0
107.08598	21.4
109.10170	10.9
111.08070	5.0
117.07003	6.4
119.04982	6.4
119.08562	23.8
121.06511	9.2
121.10133	10.7
123.11727	8.7
125.05929	4.8
129.07013	9.7
131.08589	25.3
133.10130	6.5
135.11749	6.6
137.05972	6.3
137.13290	19.7
141.07027	4.5
143.08522	22.0
145.10152	18.4
147.04407	11.9
147.11664	10.4
149.13234	9.4
153.05481	28.1
155.08604	13.0
157.10088	26.5
159.08014	6.2
159.11714	13.3
161.09644	7.9
161.13240	14.1
166.07820	6.2
169.10146	14.3
171.08150	5.0
171.11732	17.0
173.09627	5.1
173.13310	13.7
175.07591	5.2
175.14844	11.3
179.08611	4.3
181.10152	9.6
183.11594	7.9
185.13272	12.5
187.11124	5.6
195.11658	9.8
199.11264	7.0
203.92009	4.9
209.13246	9.1
211.14772	6.9
213.12732	8.6
213.16402	14.5
218.59525	5.0
219.58340	4.7
221.15343	7.6
225.16307	8.2
227.17964	17.3
237.16365	13.4
241.19621	6.8
251.17897	11.7
255.17387	9.6
269.18988	30.4
271.20505	5.7
279.17444	28.2
297.18475	100.0
315.19553	43.9
401.20093	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	419.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	3.0
53.03946	2.4
55.01855	4.8
55.05262	2.4
55.05507	28.1
57.03421	4.3
57.07062	4.9
60.04520	12.8
63.38606	2.8
67.05495	34.3
69.03426	3.6
69.07059	100.0
70.06571	2.6
71.04980	16.2
73.06555	2.1
79.05480	10.7
81.07048	60.4
83.04971	9.5
83.08603	7.7
85.02896	35.0
87.04449	5.5
91.05473	10.1
93.07029	15.6
95.04959	6.5
95.08591	26.9
95.79753	1.9
97.02862	2.3
97.06525	6.1
97.10170	4.9
99.04451	13.5
103.03945	2.3
105.07036	14.5
107.08584	4.4
109.06483	2.4
109.10168	6.3
111.04466	2.8
111.11713	20.8
115.19211	2.2
119.08587	12.5
121.10141	10.7
123.11710	20.1
133.10159	4.8
137.13269	6.4
139.11151	22.9
141.12694	10.7
147.08014	3.6
155.14377	5.7
155.53358	2.5
161.13225	14.2
161.79974	2.5
165.09157	3.3
175.14859	9.0
193.15950	6.0
203.14296	7.1
216.40607	2.5
221.15317	15.4
239.16379	15.3
250.25449	2.3
262.25204	2.7
278.25189	2.2
280.26340	5.8
298.27280	12.9
324.28949	3.2
359.59244	2.5
409.44189	2.7
419.29343	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	419.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09835	3.6
55.01881	3.7
55.05507	28.8
57.03446	5.6
57.07080	4.0
60.04534	16.5
67.05492	37.8
67.05787	3.6
69.03443	5.7
69.07063	100.0
71.04999	15.2
75.66847	3.4
79.05502	10.0
81.07051	56.7
83.04996	9.0
83.08627	5.2
84.08144	4.3
85.02892	37.8
87.04490	5.6
91.05503	13.0
91.24802	3.3
93.07068	15.7
95.08611	23.9
97.06551	7.0
99.04478	13.3
103.04049	4.0
105.07072	14.0
107.08596	6.1
109.06556	4.4
111.11726	26.2
119.08618	14.6
121.10197	12.7
123.11758	17.9
133.10197	9.1
136.47346	3.6
137.13324	5.2
139.11188	28.3
141.12769	7.1
147.08153	5.0
153.02692	4.1
155.14359	5.2
161.13240	18.9
165.09134	7.4
175.14853	7.3
190.73308	5.2
193.16008	5.1
221.15459	16.8
239.16473	12.9
250.25392	5.1
262.58920	4.1
298.27582	18.2
300.80637	3.9
371.53922	4.6
419.29263	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	419.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16177	3.3
55.05509	27.5
57.03437	10.6
57.07083	12.2
57.63441	3.1
57.83288	3.4
64.57746	3.7
67.05497	41.2
69.07064	33.0
70.72817	4.1
71.08646	9.4
78.51459	3.8
78.76572	4.5
79.05509	12.4
81.07045	49.0
83.08610	25.4
86.57646	3.9
89.14693	3.5
91.05466	4.8
93.07079	14.1
95.05016	4.2
95.08601	36.2
97.06511	4.6
97.10186	17.6
98.98451	94.0
98.99028	6.4
107.08606	6.6
109.10196	14.9
111.08089	6.3
121.10135	19.9
123.11689	7.3
125.07368	4.3
125.82931	4.2
135.10767	4.6
135.11737	18.4
137.13316	4.4
140.01122	7.9
147.04410	7.1
149.13309	8.1
155.01038	100.0
155.02232	5.8
193.10507	5.5
247.24338	9.6
265.25418	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	419.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86666	4.0
55.05486	6.9
57.07065	5.8
67.05494	14.0
69.06689	4.5
69.07046	12.3
71.08611	6.0
75.10463	4.2
81.07047	12.3
83.08610	13.8
95.08581	10.2
97.10159	8.3
98.22154	4.8
98.98473	27.6
101.64865	5.0
109.10181	9.4
121.10226	6.5
149.99811	5.5
155.01024	29.6
213.40504	5.2
265.25320	10.1
274.93155	4.8
293.13788	4.9
320.74728	5.2
359.00452	4.7
399.47787	5.8
419.27560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2792
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
55.05495	4.7
55.05753	1.1
58.07893	1.3
64.58553	1.1
65.03915	1.4
65.89495	1.1
67.05168	2.1
67.05493	21.8
69.07051	5.6
79.05479	5.1
81.07048	39.1
83.08607	5.6
86.91051	1.4
91.05457	8.8
93.07034	7.2
95.08594	27.2
95.09162	2.5
97.10153	4.4
107.08599	3.2
109.10149	10.5
119.04947	20.3
121.10132	8.3
123.11705	14.5
135.11700	9.4
137.13248	6.0
147.04404	100.0
148.04773	2.3
149.13242	3.1
151.14842	2.0
165.05481	21.8
219.21088	3.8
237.22232	4.5
247.28452	1.5
248.13106	1.6
268.22852	1.3
286.22083	1.5
388.86407	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69884	4.0
51.10141	4.0
55.05507	17.4
55.31720	3.6
56.05023	18.0
58.06590	10.3
58.99584	5.5
60.04237	5.7
60.04519	90.2
64.26791	4.6
67.05492	29.5
69.07049	17.9
70.06580	13.3
72.40512	4.4
78.93752	3.9
79.05480	7.9
80.05020	4.8
81.07053	37.6
82.06585	9.2
83.08613	6.9
84.08126	24.6
86.06041	4.5
91.05493	5.8
91.71027	9.8
92.02960	4.6
93.07035	10.1
95.08609	25.7
96.05167	4.9
97.01116	4.4
98.09654	5.2
107.08633	5.5
109.10239	4.5
111.09283	5.4
144.73857	4.9
174.88547	4.7
208.24919	5.6
216.48199	5.1
236.23706	7.4
250.25235	6.3
252.26804	7.5
262.25357	18.2
264.26883	7.7
280.26398	27.5
298.27399	100.0
306.28003	12.2
323.30472	8.2
324.28848	34.2
367.45023	6.3
375.30402	13.2
419.24203	8.8
419.29227	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	419.3154
Annotation	seco-plakortolide K
Peak:m/z	Relative Intensity
55.05499	14.9
57.07055	10.1
67.05492	15.7
69.07054	26.6
71.08612	7.1
79.05478	8.7
81.07050	21.5
83.01346	5.9
83.08602	8.9
93.07018	9.6
95.08587	13.0
97.06518	9.2
105.06990	5.1
107.08604	7.6
109.10161	6.0
111.04431	7.5
121.10169	6.6
124.23103	4.7
125.02383	6.3
135.11678	7.0
139.07552	6.9
141.05469	7.6
151.03922	8.8
153.05450	8.3
271.52356	6.6
279.23126	5.8
306.41470	5.9
321.24118	8.1
333.24506	10.2
375.28885	100.0
419.31586	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93592	33.8
56.96544	100.0
62.22542	38.4
73.16735	37.3
85.91396	42.2
116.66357	45.3
143.99821	48.9
149.02371	49.1
207.50929	58.8
352.64987	59.8
379.10745	86.8
420.13272	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58407	2.4
54.28641	2.4
54.84883	2.3
55.01861	4.7
55.05523	3.3
56.05021	8.3
57.03450	2.7
58.99573	22.7
59.26748	2.5
59.41125	2.5
61.01163	3.0
64.25102	2.4
67.05485	4.8
68.97136	3.3
69.07056	4.1
70.06562	4.6
71.04974	3.7
76.02222	34.7
79.05480	6.6
80.66016	3.8
81.07047	30.6
84.04500	35.7
85.01124	4.5
85.02899	3.5
86.00632	8.1
86.09688	3.0
86.99055	7.1
87.02689	6.8
90.05555	10.0
91.70994	7.1
93.07063	5.3
95.08594	14.4
98.09687	17.6
110.09698	5.0
112.03981	4.9
113.04224	6.9
116.01674	33.5
116.07088	9.2
122.09701	3.6
129.06573	6.9
130.04999	5.5
130.06854	7.1
139.05791	3.5
142.03242	5.1
144.01154	23.1
144.06599	4.0
156.08412	30.1
157.06841	10.7
170.11818	16.6
170.78168	3.4
174.09515	13.3
176.03821	12.7
193.06396	6.3
230.08501	5.2
240.96986	4.1
269.63437	3.4
269.65988	3.6
273.12653	100.0
313.12045	7.7
331.13348	5.3
413.92462	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	420.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.6
57.03432	15.6
59.05017	2.6
61.02910	9.9
66.08520	2.4
66.72268	2.3
69.03413	32.4
70.06572	2.9
70.57402	2.3
71.01350	5.4
73.02907	60.9
78.74162	2.5
79.23492	2.5
80.67343	2.5
81.03410	5.8
85.02896	55.7
86.09676	3.1
89.26498	3.1
91.03923	3.7
91.04916	6.3
91.05474	100.0
91.71649	4.8
97.02882	59.3
103.03933	4.1
105.06967	3.5
109.02872	3.8
115.03925	22.3
122.27025	2.8
123.46902	3.3
127.03933	17.3
129.00786	2.8
133.04967	17.6
133.06516	3.7
139.96901	2.8
141.08344	3.2
145.04930	18.7
145.06439	3.4
157.06494	6.5
163.06032	4.9
223.06023	3.3
225.17062	2.8
294.18234	3.0
344.14557	3.2
420.18457	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	420.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	9.1
57.03202	1.9
57.03429	22.2
59.04983	3.6
61.02911	17.7
69.03418	40.7
70.06581	2.1
71.01334	6.3
71.04980	2.7
72.04498	2.7
73.02905	100.0
77.71534	1.8
80.11592	2.2
81.03407	5.5
85.02893	96.9
86.09682	1.5
87.04451	6.7
91.03938	5.4
97.02249	3.6
97.02882	69.5
99.04448	4.1
101.02460	1.6
109.02865	6.7
115.03918	36.5
127.03913	22.8
132.06535	2.1
133.04959	30.6
145.04947	38.3
145.06206	2.9
145.06567	3.2
150.07619	7.8
157.48978	1.9
163.06046	10.4
180.08626	2.2
181.05023	1.9
193.04924	3.3
204.08684	3.4
223.06026	5.1
240.83690	1.9
241.07109	5.7
259.08154	6.7
268.82211	1.8
403.78619	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	420.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	9.1
57.03202	1.9
57.03429	22.2
59.04983	3.6
61.02911	17.7
69.03418	40.7
70.06581	2.1
71.01334	6.3
71.04980	2.7
72.04498	2.7
73.02905	100.0
77.71534	1.8
80.11592	2.2
81.03407	5.5
85.02893	96.9
86.09682	1.5
87.04451	6.7
91.03938	5.4
97.02249	3.6
97.02882	69.5
99.04448	4.1
101.02460	1.6
109.02865	6.7
115.03918	36.5
127.03913	22.8
132.06535	2.1
133.04959	30.6
145.04947	38.3
145.06206	2.9
145.06567	3.2
150.07619	7.8
157.48978	1.9
163.06046	10.4
180.08626	2.2
181.05023	1.9
193.04924	3.3
204.08684	3.4
223.06026	5.1
240.83690	1.9
241.07109	5.7
259.08154	6.7
268.82211	1.8
403.78619	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	420.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31075	2.3
53.00301	2.5
53.08245	2.2
57.03428	26.6
59.05005	4.1
60.04507	2.6
61.02926	4.3
69.03417	92.7
69.89500	2.7
73.02900	11.9
75.04469	5.6
75.32143	2.9
84.04497	2.7
85.02894	72.5
87.04457	57.9
97.02885	77.8
98.06029	6.1
103.79120	3.1
111.70809	2.5
115.03919	100.0
127.03916	11.0
133.04965	71.1
133.06465	4.7
136.92267	3.0
145.04979	10.3
145.06459	2.9
150.07602	16.3
171.72833	3.2
180.08752	5.1
228.53201	3.5
294.91479	3.5
331.81442	3.2
443.67612	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03205	1.9
57.03429	22.3
58.77914	2.1
59.85032	1.8
61.02905	7.2
69.03421	18.0
71.01352	4.5
73.02908	40.3
75.31079	2.3
81.03419	3.1
85.02894	27.8
91.05470	100.0
97.02885	38.8
105.46429	2.5
115.03921	19.1
127.03907	6.3
133.04938	4.9
139.87706	2.4
145.04939	7.1
153.62801	2.7
163.38477	2.7
295.10233	3.7
443.48047	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	420.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.05501	0.2
57.03430	0.3
57.07071	1.9
58.45281	0.2
61.64699	0.2
64.90321	0.2
65.03926	0.3
66.04700	0.3
67.05491	3.0
67.16638	0.2
69.03425	3.1
69.07058	3.4
70.34190	0.2
71.04987	0.2
73.02899	0.3
79.05482	4.3
81.03413	1.6
81.07044	100.0
82.07365	0.5
85.02892	6.8
87.00826	2.3
95.08595	16.0
97.02886	4.8
99.04414	1.1
105.01856	4.5
108.04527	0.4
109.02861	1.9
109.10150	1.0
127.03899	5.7
129.01874	0.3
137.13248	18.3
138.13654	0.5
145.04956	3.1
154.15904	0.4
159.02888	0.9
231.04918	1.3
243.11078	0.3
249.06085	0.6
343.48846	0.3
347.19919	0.2
355.17700	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11654	2.4
69.03429	2.9
70.06573	3.6
71.36739	2.7
81.24558	2.7
91.05463	4.4
92.33190	3.3
102.64735	3.0
105.07030	10.0
108.84663	2.8
119.08574	100.0
121.06538	3.0
133.10158	6.8
147.02641	3.9
147.79768	2.9
159.11711	9.1
161.13234	56.0
177.12752	12.3
205.12227	57.1
212.57523	3.3
223.13290	42.7
268.22906	3.5
316.11295	3.8
427.93726	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	16.6
57.03402	5.0
64.20060	3.9
67.05495	93.3
69.07056	17.2
79.05471	27.1
80.12488	4.1
80.67420	3.9
81.07045	100.0
83.08603	15.4
91.05487	21.4
93.07042	32.5
95.08598	68.8
97.06515	11.3
97.10154	7.5
105.07044	16.7
107.08590	35.5
109.10162	35.9
111.08060	8.4
119.08558	9.7
121.10160	33.5
123.11709	16.0
131.08569	14.8
133.09282	4.6
133.10103	26.4
135.11705	31.8
145.10144	8.3
147.11717	7.7
149.13268	7.5
151.11153	7.2
157.53590	4.6
215.17960	19.3
233.18939	23.7
251.20131	13.7
299.79935	4.6
307.22556	9.2
325.23657	79.4
385.25827	44.1
419.89960	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91018	4.8
53.73310	4.8
55.05497	17.5
57.03422	5.4
62.37901	4.5
67.05500	78.5
68.55082	4.6
69.07058	13.3
70.61252	4.7
72.63257	5.0
79.05486	24.8
80.50845	5.6
81.07052	90.6
83.08630	12.3
90.76440	5.2
91.05470	24.6
93.07050	39.0
95.04958	6.6
95.08595	78.7
97.06537	11.3
97.10152	11.1
105.07040	15.4
107.08578	26.7
109.10152	30.5
114.80936	4.9
119.08568	10.7
121.10156	37.7
123.11706	6.8
125.44731	5.6
131.08530	12.8
133.10081	28.9
135.11688	36.9
145.10107	10.1
147.11703	8.2
149.13309	6.9
168.93399	5.3
180.55017	6.9
192.07846	5.5
215.17993	22.8
233.18996	40.0
234.69540	6.2
235.20557	7.1
251.19963	9.3
267.57962	6.2
290.07059	6.0
307.22903	12.3
325.23767	100.0
385.25717	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.8
56.05043	2.8
67.05492	35.7
69.07073	6.6
70.06580	74.4
79.05486	15.4
81.07049	34.4
82.07411	3.9
83.08611	4.7
86.06068	12.1
91.05492	12.9
93.07036	24.6
95.04973	2.7
95.08601	26.8
95.35764	2.3
96.08157	3.4
96.08939	3.0
99.08083	3.2
105.07059	3.2
107.08618	10.2
109.10172	5.6
114.05522	31.3
114.09168	34.7
114.09821	2.9
119.04964	13.4
120.05287	4.8
121.10127	33.8
122.10513	3.0
123.11771	8.7
135.11696	12.1
142.08627	63.5
147.04405	55.4
147.05476	3.6
148.04707	14.5
149.05086	6.5
150.05275	2.7
160.09673	100.0
161.13254	4.0
165.05537	7.8
189.97987	2.4
203.17995	5.7
221.19104	10.8
239.20094	4.5
263.67563	3.1
338.19772	3.0
420.31067	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	421.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	20.0
55.05498	8.3
60.04517	5.4
67.05486	14.5
69.03407	7.5
69.07043	6.6
69.94565	2.7
71.04974	3.4
71.08619	3.1
71.90601	3.2
72.19141	3.0
76.34098	3.6
79.05482	24.5
81.03418	25.3
81.07043	15.1
83.04964	42.0
85.02876	4.3
85.78831	3.1
86.09681	2.9
91.05460	11.9
93.07029	17.5
94.06581	2.7
95.04949	7.9
95.08587	11.9
97.06528	4.7
104.10706	3.1
104.11592	3.1
105.07025	11.8
107.04944	37.2
107.08578	6.2
107.38543	3.2
108.32627	2.9
109.06501	3.3
111.04457	7.5
117.07002	8.0
119.08558	7.1
119.12564	3.3
121.06506	5.3
129.06981	6.0
131.08543	9.6
133.06500	4.0
135.08055	12.8
141.06868	3.6
145.06508	9.3
145.10120	13.3
155.08553	3.6
155.66716	3.6
159.11690	6.6
171.80901	3.2
173.09586	3.4
173.13205	23.0
183.11676	5.9
201.12738	78.3
229.12189	100.0
247.13347	10.8
290.11011	3.7
299.19580	3.8
327.86743	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	421.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44596	0.9
51.12917	0.7
51.30998	0.7
55.74439	0.9
58.03953	0.7
58.10601	0.8
58.80138	0.6
59.73281	0.7
86.52337	1.1
91.05470	3.7
93.07035	6.3
94.21889	0.9
95.04951	3.0
103.05445	4.6
121.06494	100.0
166.12254	92.1
167.12656	1.2
203.35515	0.9
211.38376	0.9
235.84615	1.1
267.92499	1.1
347.28668	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2348
Annotation	His His Lys
Peak:m/z	Relative Intensity
57.07045	7.1
58.11087	1.7
64.94803	1.8
70.98298	1.6
71.08623	3.6
72.08167	1.8
75.48256	1.9
75.71925	2.2
77.81265	2.1
88.95950	1.8
89.06021	2.6
91.33492	2.1
91.70966	2.7
111.42384	2.1
117.08665	2.1
130.52058	2.1
133.08601	3.8
178.13081	2.5
187.03641	14.2
213.13719	2.4
228.06412	2.3
270.99554	2.4
421.23459	100.0
431.79297	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	421.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	4.1
55.05296	2.0
55.05505	23.6
56.14011	1.8
57.03419	7.0
59.04982	3.0
65.03933	3.3
67.05495	84.0
69.07059	35.7
69.34839	2.1
71.04962	10.4
71.45914	2.2
79.05070	3.8
79.05485	32.7
81.07047	100.0
83.04959	7.5
83.08617	18.6
85.06526	7.0
86.09643	2.1
91.05467	32.9
93.07032	48.1
95.04925	5.1
95.08599	67.7
97.06525	7.9
97.10176	15.5
101.06030	2.6
103.05399	2.6
105.07004	21.1
107.04948	3.6
107.08580	28.4
109.06498	3.1
109.10150	37.4
111.08070	4.7
117.06998	5.2
119.08542	18.5
121.06494	4.1
121.10145	31.4
121.35612	2.5
123.08091	2.6
123.11713	10.4
125.09597	5.8
126.56567	2.5
131.05006	3.1
131.08578	16.8
133.10136	21.5
135.08051	5.0
135.11729	14.3
137.09572	3.0
137.13187	2.9
139.11182	8.9
145.10124	12.4
147.04335	2.6
147.08163	2.8
147.11674	14.5
149.09613	13.9
149.13303	6.0
151.11140	2.5
153.09102	7.6
155.08543	2.2
157.10088	3.7
159.11662	10.0
163.11230	7.7
163.14861	2.4
167.10663	7.5
171.11658	2.3
173.11726	6.9
173.13272	6.3
177.12776	7.5
187.13306	3.2
211.91634	2.8
217.77544	2.1
229.19489	5.5
239.17845	4.8
247.20522	7.1
257.19016	6.1
265.21619	6.0
275.20001	47.7
293.21075	93.2
303.87506	2.9
311.22098	16.5
338.41742	2.6
349.23752	6.6
354.57355	2.4
367.24738	48.0
385.25793	46.1
403.26843	25.9
421.21964	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	421.2946
Annotation	Diacarperoxide G
Peak:m/z	Relative Intensity
55.05500	10.2
57.07056	5.4
60.56163	2.1
67.05492	18.8
69.06776	2.2
69.07066	22.1
70.88424	2.4
71.05000	2.8
71.08611	2.5
81.07047	31.5
83.08617	25.0
91.05492	7.1
91.71640	5.6
95.08605	32.3
97.10149	15.1
109.10153	14.1
111.11700	6.9
119.04936	23.8
123.11707	7.7
147.04405	100.0
158.34911	2.5
165.05450	14.6
167.92656	2.6
176.62521	2.4
257.24835	4.7
281.38272	2.9
305.05319	2.7
366.03595	2.5
426.63971	2.7
427.65585	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	421.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	14.0
55.51741	2.3
57.07059	7.7
59.19147	2.5
64.91514	2.4
65.61536	2.2
67.05492	23.3
69.07054	28.0
69.68440	2.2
71.04969	4.0
81.07044	45.1
82.58240	2.9
83.08607	26.8
86.69086	2.5
91.05470	11.2
91.71416	4.0
95.08599	48.2
97.10160	15.5
109.10158	22.2
111.11724	6.4
119.04925	24.4
123.11719	9.0
125.13274	3.9
134.68254	2.6
137.13309	5.3
147.04402	100.0
150.64241	3.4
165.05499	5.0
165.16368	5.2
239.23547	4.0
240.37695	2.7
257.24664	5.1
276.83444	3.3
293.58636	2.9
312.36908	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	421.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73860	6.7
56.25835	6.6
57.07068	100.0
69.07034	11.9
71.08296	9.7
71.08625	99.5
73.15230	9.7
79.40401	6.2
85.10191	60.2
89.06024	96.1
91.70978	9.7
130.08643	29.5
133.08595	63.7
151.99789	8.1
179.42216	8.8
209.01544	8.7
212.12234	9.4
218.09619	8.2
239.15001	21.0
251.22281	8.2
266.26999	8.7
342.26413	10.8
368.00360	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	422.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48153	2.2
58.15008	2.7
67.05476	2.1
69.03416	4.0
70.06579	5.0
84.04497	4.8
84.08192	3.9
86.06059	7.3
86.09708	5.8
87.04449	16.8
95.04962	3.6
104.07104	37.1
111.79848	2.3
115.22078	2.7
123.04413	9.2
133.02803	4.5
135.04459	8.0
139.03897	53.7
151.03903	100.0
151.05078	5.6
153.05492	5.9
163.02704	3.0
163.03772	14.9
169.04933	7.6
181.04996	4.6
189.05460	5.7
228.76772	2.8
301.07071	4.6
319.08102	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	422.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09452	1.0
51.52244	1.0
55.01617	1.8
55.01865	26.0
56.05013	1.7
56.30110	0.9
58.32136	1.0
58.99578	9.8
65.74257	0.9
69.07054	26.4
70.06567	1.8
73.06531	3.9
74.00659	4.7
76.02211	5.7
76.04000	2.2
83.06104	3.3
84.04493	29.8
86.09687	1.7
86.91840	1.2
86.99035	4.3
87.02692	1.3
88.02206	2.9
93.07032	1.5
97.06522	100.0
100.02198	1.4
100.12687	1.1
112.03968	1.3
112.51172	1.0
115.07561	4.1
116.01665	30.4
127.05797	7.2
129.06615	5.5
130.04980	5.0
130.06868	3.9
138.64671	1.2
144.01108	11.2
155.05273	3.4
162.02191	28.6
172.07878	11.5
189.84132	1.2
190.08961	24.2
200.07399	5.0
258.07928	17.7
275.10635	1.9
276.08960	23.0
293.11673	17.3
347.12698	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	422.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01648	2.2
55.01869	26.7
58.99560	11.1
67.90299	1.6
69.07058	33.3
70.43374	1.8
73.06554	4.8
74.00670	6.8
76.02212	7.1
76.03963	2.4
84.04485	26.0
86.99043	6.7
88.02193	2.7
91.05460	2.0
97.06518	100.0
101.04293	2.4
115.07587	3.3
116.01675	26.5
120.25475	2.2
127.05792	9.0
129.06602	5.5
130.05048	3.2
144.01096	13.4
146.02577	2.2
155.05290	3.9
162.02179	33.9
172.07892	15.3
178.34276	2.0
190.08919	29.8
200.07404	8.7
258.07901	13.9
262.95813	2.5
276.08881	14.6
293.11597	25.1
347.12766	6.3
422.16019	3.5
449.06775	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	422.1597
Annotation	Javaberine B
Peak:m/z	Relative Intensity
54.01146	3.4
68.05010	2.8
70.06585	6.7
73.61459	2.8
78.47800	2.8
79.08112	2.9
80.05025	4.8
82.06566	5.0
100.62234	2.9
106.06538	8.4
107.04923	5.7
130.04140	4.2
135.04401	35.7
144.57542	3.0
147.04382	3.8
159.04388	11.5
160.05191	15.1
169.06499	8.0
190.07747	3.7
202.07678	5.4
203.08589	6.4
205.10193	6.1
219.08035	4.8
231.08064	7.8
233.09575	8.9
235.07565	5.6
261.09079	6.1
265.08624	6.2
289.08505	7.9
290.35251	3.8
330.11148	4.0
392.14963	22.3
404.14859	37.7
422.15924	100.0
423.16061	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	422.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90367	5.9
53.03260	5.3
57.03418	20.6
60.51384	6.4
64.00701	6.0
65.03935	16.8
66.47868	7.0
69.03403	11.4
71.31937	5.9
74.98266	6.3
75.04446	9.7
75.32943	7.5
85.02914	41.1
93.03404	10.5
111.04443	42.9
119.11962	6.9
119.65751	6.8
125.05996	51.6
134.05980	15.3
137.05981	15.8
151.03894	37.5
154.02747	13.2
169.04933	100.0
225.07524	14.9
243.08621	75.3
269.31213	8.1
356.20636	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	422.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	10.3
57.07069	3.0
58.04044	2.3
67.05492	51.8
69.07054	12.1
79.05489	7.4
81.07045	49.0
83.08606	10.3
91.05479	11.9
91.71042	2.9
93.07031	8.7
95.08597	31.7
97.10159	5.0
107.08582	5.4
109.10150	38.5
112.72147	2.5
119.04926	20.3
121.10150	12.5
123.11703	31.1
134.91121	2.5
135.11705	9.5
147.04401	100.0
149.13249	5.0
165.05348	6.3
205.19531	7.0
223.20595	8.5
241.21600	16.8
365.14798	3.0
373.65881	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	422.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	7.3
57.07070	2.1
67.05173	3.6
67.05496	45.4
69.07056	8.1
71.04967	3.7
76.29811	2.3
79.05467	5.5
81.06596	4.6
81.07049	56.6
82.13592	2.4
83.08609	10.0
91.05470	10.4
91.71406	4.8
93.07027	12.4
95.08601	36.1
97.10133	4.8
107.08608	7.8
109.10155	29.3
119.04919	25.2
121.10114	15.8
123.11704	24.0
135.11687	9.8
147.04408	100.0
149.13235	7.2
152.66150	2.3
159.42839	2.1
165.05482	10.4
201.51385	2.3
205.19437	3.4
223.20502	10.8
241.21532	11.0
248.16982	2.4
291.83383	2.6
393.61438	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03719	2.1
57.54187	2.1
66.54061	2.4
70.06572	5.0
72.08145	2.4
73.76566	2.2
74.27326	2.3
81.03417	3.0
84.25189	2.8
85.02866	4.3
86.09698	4.7
97.02905	2.9
108.28828	2.8
153.01825	3.9
171.58534	2.8
178.45461	3.1
203.05339	5.1
261.07315	100.0
423.12589	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	423.1991
Annotation	Phe Trp Ala
Peak:m/z	Relative Intensity
50.50075	1.8
50.84426	1.7
57.07043	2.0
57.17270	2.0
57.43653	1.9
78.80782	2.1
84.08133	3.4
91.71616	5.5
105.43762	2.2
166.88557	2.7
423.19864	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03366	2.5
54.00641	2.5
55.05493	7.1
56.05021	6.8
56.91769	2.8
57.55984	2.7
59.35845	2.9
61.16700	2.8
70.06573	9.0
72.08145	61.2
83.06095	66.9
84.04497	54.1
84.08116	4.6
86.09697	82.7
91.05470	15.0
97.06543	4.0
100.76480	3.4
101.07150	11.3
107.04965	3.8
119.04946	11.9
120.08102	38.9
120.64241	3.2
125.07123	4.9
126.16195	3.4
132.05452	3.0
132.10187	50.8
136.07570	100.0
145.86356	3.1
171.94568	3.4
177.10271	13.9
202.08598	26.0
205.09787	14.9
219.11243	3.6
219.13402	6.9
246.12337	33.2
247.10706	25.1
247.73599	3.7
264.13409	14.2
271.06796	3.6
274.11932	10.7
275.10287	8.3
292.13055	4.4
405.21436	25.0
426.87408	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	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83532	5.3
51.68582	5.2
55.05509	42.1
57.03429	18.4
65.03949	8.5
67.05495	100.0
69.03418	38.2
69.07050	24.4
71.01303	6.8
79.05486	58.0
81.03412	46.2
81.07032	84.2
81.07413	8.4
82.00175	5.8
83.04964	13.6
83.08607	15.9
85.02898	17.7
91.05473	62.6
93.07035	88.5
95.04955	20.9
95.08593	73.5
95.17244	7.1
97.02889	16.2
97.06547	9.6
99.04485	8.8
101.31523	6.4
105.07019	45.6
107.08585	52.3
109.06508	12.6
109.10169	35.9
114.70919	7.2
115.05492	7.8
117.07012	29.5
118.06488	7.4
119.08577	42.2
121.10167	36.8
123.11665	8.7
127.03924	10.8
129.07008	12.1
131.08578	33.2
133.10149	29.9
135.11681	21.3
141.07002	9.8
143.08577	9.0
145.10110	21.9
147.11688	20.3
149.13283	21.9
155.08519	7.4
157.10132	11.1
159.11679	24.9
161.09657	8.3
161.13255	13.5
171.11670	11.2
173.13220	15.4
205.19829	8.7
215.14409	8.3
217.49910	8.2
227.39076	8.5
259.20450	8.9
261.22162	11.2
303.23386	9.5
369.24371	29.5
387.25360	23.2
405.26382	14.2
423.27206	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	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	26.6
57.07064	18.5
65.50413	12.7
66.50404	12.4
67.05494	100.0
69.03409	26.5
69.07048	20.4
71.05003	11.4
71.06868	12.3
79.05480	50.6
80.06142	16.0
81.03412	30.9
81.07030	79.7
82.02221	13.4
82.32732	12.4
83.08584	14.2
91.05464	37.4
93.07021	93.8
95.08617	74.4
97.02908	93.5
99.04453	38.7
105.07001	25.3
107.08604	32.8
109.10144	34.4
117.06978	17.6
119.08544	24.4
121.10121	48.8
123.11710	16.7
127.03894	33.7
135.11707	30.1
147.11749	24.0
159.11659	27.2
190.17436	16.0
195.96205	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	12.0
55.05490	22.9
57.03426	5.5
65.03933	5.2
67.05501	57.9
69.03419	17.7
69.07042	10.7
70.95979	5.5
71.04964	4.7
72.46537	4.6
79.05488	47.9
81.03405	7.2
81.07049	73.5
83.01114	5.3
83.08640	4.2
88.54640	4.3
91.05483	28.8
93.07041	69.4
95.04977	13.5
95.08604	54.7
97.02881	100.0
99.04456	54.3
105.07044	18.2
107.08572	32.5
108.94571	4.8
109.02876	12.7
109.10162	27.9
112.59890	4.8
119.08577	13.1
121.10159	37.5
125.03103	4.6
127.03918	25.2
131.08546	14.5
133.10109	12.8
135.11687	21.2
135.24475	5.0
145.04985	12.3
145.10162	9.0
147.11682	7.0
149.13287	11.3
159.11722	8.4
161.13289	9.9
164.80444	4.6
166.65759	5.4
187.14807	6.8
243.21136	6.0
246.10286	6.5
251.84987	5.6
259.22522	6.2
261.22134	21.6
265.80011	5.2
323.62854	5.8
325.88876	5.4
347.47159	6.0
409.97830	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	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.9
53.86950	6.8
55.01881	25.5
55.05517	20.7
61.87222	6.5
67.05503	100.0
68.05638	6.9
69.03412	51.8
69.07070	14.6
71.04993	17.9
72.75359	6.8
79.05476	59.6
81.03417	48.8
81.07054	96.0
83.08642	8.3
91.05509	38.2
91.71685	10.5
93.07034	82.8
93.07458	7.1
95.04981	12.3
95.08590	54.0
97.02896	75.2
97.26011	7.5
99.04451	68.4
105.07051	29.5
107.08599	49.0
109.02888	19.9
109.10194	25.4
111.04478	10.4
117.07031	10.0
119.08604	24.1
121.10203	26.9
123.11691	14.1
127.03905	61.2
131.08630	13.8
133.10196	14.5
135.11739	15.3
145.04994	8.6
145.10126	13.7
156.71184	8.5
173.13318	13.1
206.32977	8.6
234.11737	8.4
261.22171	23.5
261.36011	8.8
312.80209	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	423.2741
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
51.10033	6.6
53.03923	9.1
55.01860	17.5
55.05492	31.3
57.03423	9.9
67.05493	89.8
69.03418	39.6
69.07065	37.2
73.31851	6.8
74.62300	6.4
75.07217	7.0
79.05489	55.0
81.03397	41.0
81.07047	100.0
83.08606	15.7
84.08136	14.3
85.02895	18.6
91.05466	54.7
93.07034	76.1
95.04968	13.9
95.08597	71.3
97.02880	25.7
97.06491	8.9
97.10150	9.4
99.04484	9.0
100.50749	6.2
105.07035	56.6
107.04918	7.4
107.08588	48.4
108.32073	6.6
109.06556	8.4
109.10146	27.4
111.04391	7.5
111.98033	7.5
117.07019	25.1
119.08568	42.5
121.06482	11.8
121.10157	35.4
123.11716	12.7
129.06961	17.4
131.08560	26.2
133.10141	28.6
135.11688	24.2
143.08572	14.0
145.10130	22.8
147.11713	20.4
149.13301	9.6
155.08553	10.3
157.10071	11.8
159.07948	6.7
159.11699	18.6
161.13249	14.0
171.11635	10.5
173.13290	15.5
185.13264	9.6
187.14851	7.4
194.79633	6.7
259.22653	10.3
261.22122	14.3
303.23190	9.1
351.23166	12.2
369.24164	20.0
387.25330	26.3
405.26358	15.8
423.27350	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	423.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12176	8.2
53.80217	7.4
55.48502	7.8
57.07070	34.2
58.96055	8.3
69.20947	9.0
69.66295	7.7
71.08626	23.4
73.17973	9.9
84.23336	8.5
85.10175	29.9
89.06025	100.0
124.23553	9.7
125.56024	9.5
130.08644	30.9
133.08611	23.5
251.02393	10.4
258.60352	12.2
391.76294	10.8
437.32718	11.8
444.77792	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	423.9981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93512	5.7
57.07060	8.0
63.33183	5.5
72.08157	6.7
77.53667	6.3
78.43050	5.9
79.23426	5.3
82.26991	5.8
91.71661	14.3
101.00158	5.8
126.90705	7.3
137.05986	13.1
191.71718	9.3
231.39618	6.8
275.97101	12.1
318.77472	7.7
359.95526	21.0
365.53857	8.7
382.97211	100.0
406.16513	13.0
423.99939	68.0
424.17316	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	424.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89796	2.2
55.01852	9.1
56.05009	3.2
57.03186	4.3
57.03426	30.1
60.03079	2.3
69.07050	9.0
70.06565	6.9
72.08117	4.2
74.00655	100.0
76.02211	2.8
76.03994	3.6
83.06063	4.7
84.04494	36.2
85.02886	4.2
85.04021	11.6
86.09679	6.0
89.34856	2.5
91.71060	3.5
92.01704	3.2
94.98450	2.2
95.08595	3.3
97.06527	34.8
98.06855	6.6
107.99400	10.0
112.03934	3.0
116.01658	6.3
117.03666	3.3
118.01262	7.0
129.06627	2.8
130.05003	29.5
131.04517	6.4
137.87672	2.9
140.01682	3.7
140.77014	3.2
147.04408	3.2
149.00911	13.9
153.01807	9.7
155.01628	5.8
155.08195	2.9
164.01765	4.9
177.03256	29.9
192.05122	23.7
192.08502	4.8
195.02916	9.0
205.04648	3.1
211.02072	12.3
231.04379	4.0
277.06601	16.6
278.05313	3.5
278.54272	3.1
295.07870	37.4
295.11075	4.4
335.02316	5.5
349.08820	11.2
424.11993	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	424.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41615	3.2
52.77478	3.1
55.73125	2.9
70.06580	6.7
75.16590	3.0
84.04498	8.0
84.08132	7.6
86.09692	9.3
95.04964	3.5
100.55629	3.5
107.05003	4.9
123.04411	9.4
126.05498	3.9
127.03946	6.0
128.16095	3.7
131.03839	3.5
133.02795	6.8
135.04459	8.8
136.07570	8.8
139.03893	54.7
151.03906	100.0
151.05087	6.8
153.01909	6.0
153.05347	4.6
163.03912	17.7
169.04936	8.5
181.04904	8.9
187.09428	3.8
188.17633	4.4
189.05426	5.1
193.05000	4.3
278.11487	5.2
301.07327	5.3
319.08081	83.5
370.75150	4.6
388.13943	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	424.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27082	2.5
55.52670	2.6
56.05033	3.5
58.06599	23.1
59.07362	5.7
60.08159	100.0
67.04247	18.2
67.77077	2.7
68.50168	3.3
70.06577	6.3
70.64654	2.6
84.04510	8.0
84.08141	6.1
85.18400	3.2
86.09710	4.8
91.05468	3.5
91.71594	3.7
98.00626	4.7
113.01718	3.2
115.17311	3.3
116.07083	3.7
119.04977	5.1
124.05186	41.8
125.01697	26.6
127.03228	5.8
130.05022	4.3
136.07571	6.0
137.05975	36.9
139.03905	3.8
141.01172	26.7
143.02747	24.5
152.08302	9.2
159.02232	11.8
163.06174	13.8
163.67851	3.7
171.02255	6.6
179.06981	6.7
180.07820	38.1
185.06230	13.3
187.01749	12.7
202.10129	12.2
228.08076	15.3
244.07542	21.8
246.09030	22.3
299.77466	3.8
333.91373	3.3
337.08588	10.7
347.61020	4.0
348.88107	3.4
365.08105	7.8
424.15424	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	424.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	17.8
55.23812	4.6
56.96539	5.5
60.42449	4.6
67.05487	22.3
69.03413	9.6
69.07049	16.7
69.31187	4.9
70.06571	7.0
71.04982	17.2
79.05479	11.7
81.07056	22.1
83.04963	17.0
83.08600	15.4
85.02894	24.4
85.99303	5.7
86.09702	10.2
88.72121	5.3
93.07027	28.9
95.08594	40.3
95.78864	6.6
97.06554	6.5
97.10185	8.8
99.04445	16.4
105.07050	19.9
107.08586	50.7
109.06528	8.1
109.10155	27.2
111.08115	6.4
119.08587	13.4
121.10136	42.0
125.09611	14.7
131.08583	20.0
133.10114	94.1
135.11687	27.5
137.09608	60.1
137.13268	14.1
139.11240	12.0
147.11694	9.4
149.09697	8.7
149.13269	24.8
151.11241	12.3
153.09100	13.6
163.14833	22.8
165.12790	8.4
166.92494	6.8
173.13313	28.2
177.08844	6.2
181.15871	8.7
191.14282	59.6
209.15352	100.0
227.16486	13.9
247.00974	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	424.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	12.0
56.21175	2.3
57.03418	4.9
57.07086	2.2
65.03928	3.1
67.05507	13.3
67.16604	2.5
69.03417	9.4
69.07066	17.2
70.06574	13.2
71.04979	9.7
79.05482	4.1
81.07067	17.5
83.04970	9.9
83.08627	6.3
84.04497	42.1
84.08119	5.2
85.02890	15.5
86.09686	4.6
87.04464	3.8
91.05455	4.6
93.07031	12.1
95.04965	5.0
95.08590	34.1
97.02853	5.0
97.06525	17.3
99.04445	4.2
99.08068	5.2
101.06049	3.4
102.05540	17.8
105.07032	12.7
107.08591	30.2
109.06516	15.4
109.10160	27.6
111.04427	16.3
115.07562	30.9
119.08591	6.9
120.08091	34.5
121.10151	49.5
123.04430	9.8
123.08040	7.0
123.11715	16.2
125.09624	4.7
127.03876	6.6
129.06625	3.1
131.08572	6.5
133.10130	18.8
135.04417	18.1
135.08072	8.7
135.11713	13.4
136.06178	92.9
137.09615	31.3
137.13254	5.3
139.03922	15.9
139.11195	10.1
145.10097	3.2
147.11662	9.3
149.09685	6.5
149.13261	6.9
151.03937	5.6
151.11208	7.8
153.09135	4.2
163.14784	15.6
165.12732	25.1
166.08647	22.4
167.08205	4.7
173.11963	2.8
173.13181	14.1
191.14276	35.8
209.15352	100.0
227.16461	9.4
228.83684	2.8
241.08228	3.6
249.63591	3.1
255.70364	3.1
277.11874	3.7
289.06949	5.6
293.09433	2.8
300.30261	3.2
445.89288	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	424.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	5.0
53.45255	3.0
55.05515	4.1
57.07066	100.0
69.07052	4.7
71.08616	54.6
71.08964	3.7
73.06568	3.7
81.07072	4.4
83.08640	3.6
85.10178	39.8
87.04485	4.2
89.06013	72.7
91.71643	6.9
97.10201	4.3
99.11736	4.3
109.06448	3.3
111.11755	4.7
130.08661	14.1
133.02913	4.2
133.08585	51.7
133.09497	4.2
143.08609	3.6
143.72218	3.6
148.42719	4.5
151.09706	6.5
161.06049	3.9
169.55220	3.4
177.11288	12.1
233.15436	7.7
239.14838	33.5
334.53476	3.4
407.33661	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	424.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91238	3.5
57.06797	6.3
57.07066	89.6
59.43017	3.7
60.20295	4.1
66.06623	4.1
69.07046	9.9
71.08299	6.1
71.08627	66.4
76.37988	4.8
85.10167	38.4
89.06017	100.0
89.06537	7.6
91.71001	5.3
97.10126	5.0
112.70542	4.6
116.43454	4.8
123.16876	4.3
130.08644	18.9
133.08606	57.2
177.11243	19.5
191.28806	5.1
211.04948	5.3
239.14848	39.0
266.03525	5.1
283.34610	5.8
290.83395	5.3
301.27151	5.2
335.91544	5.2
407.33792	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93924	4.1
55.05504	4.2
55.49325	3.7
55.64496	3.2
56.77219	3.1
57.06803	5.2
57.07067	92.7
57.30537	3.2
59.09129	4.2
63.45446	4.2
66.84662	4.4
69.07051	3.9
69.33218	3.8
71.08623	64.1
85.10164	40.2
89.06023	100.0
89.06535	7.2
93.80506	4.2
97.10110	4.8
97.77980	4.3
99.11720	5.3
105.29133	4.4
130.08626	25.9
133.08592	62.6
177.11285	7.6
235.61360	5.0
239.14877	46.4
259.09344	4.5
407.33569	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90001	3.1
55.05502	8.1
56.96558	50.2
57.03416	6.0
59.33923	3.2
60.04452	3.2
65.69105	2.8
67.05491	7.6
69.03416	5.7
69.07058	26.9
70.06580	10.4
71.05000	5.0
72.08167	3.3
74.06109	3.8
81.07036	10.0
82.94099	3.2
83.04967	8.2
84.04491	21.7
84.08140	14.6
84.96038	8.9
85.02896	7.8
85.06511	3.5
86.09692	50.1
87.10023	7.7
88.23955	3.3
91.05465	5.8
93.07049	5.7
95.04948	5.4
95.08600	5.0
97.96339	3.9
98.97578	30.9
99.08099	6.0
102.05535	8.7
106.67326	3.8
107.08607	9.6
109.05579	3.2
109.10152	7.7
110.07215	5.0
110.97558	8.3
113.09650	5.1
116.00310	3.9
116.98656	17.2
116.99399	3.1
119.08643	4.1
120.08116	3.3
121.10143	16.1
121.26449	3.2
123.11686	4.2
125.09599	3.7
128.98596	8.4
129.06592	4.7
129.10202	11.1
131.00169	3.7
133.10114	8.8
134.99623	3.7
135.11708	5.1
136.07579	15.9
137.07878	4.2
140.00154	23.0
145.05098	3.6
146.99646	9.0
147.04433	7.2
149.09625	4.3
151.11221	4.9
152.00192	9.6
158.01257	8.9
163.14795	5.0
165.05478	5.1
166.01804	4.8
170.01280	5.8
173.13283	4.2
181.02861	9.8
182.01273	4.0
182.08160	14.8
184.02913	4.9
191.14310	13.7
193.02805	7.2
195.03305	7.7
197.12880	5.7
200.02287	5.9
207.04372	5.6
209.15343	32.0
213.04300	11.8
215.13934	16.8
218.04829	7.2
219.01724	6.0
227.16409	11.8
236.06030	10.3
237.02759	7.5
239.02264	13.6
242.03404	16.4
243.13422	6.4
244.02904	6.7
245.17473	14.9
257.03452	12.4
259.07574	7.2
260.04446	9.7
262.03842	14.7
280.04895	9.5
283.06015	12.0
285.05463	16.6
303.06549	5.1
326.07974	4.6
365.05411	100.0
383.06537	8.1
406.08017	63.7
425.20010	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42632	0.9
57.07051	1.1
85.91357	1.3
108.41878	1.2
139.03915	3.9
141.80901	1.1
147.04433	1.5
163.03920	1.8
203.03365	9.0
229.04921	11.7
245.04382	7.7
257.04410	100.0
258.05029	2.8
263.26913	1.3
287.05530	3.6
407.07681	1.4
425.08603	26.3
425.14182	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	425.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97513	3.0
54.59941	3.3
67.39143	3.0
90.51486	3.4
101.00883	12.7
116.44656	3.9
119.01884	27.3
124.02424	5.4
126.84708	3.7
131.01888	8.6
135.20311	3.4
142.03522	12.7
143.01883	29.3
145.03465	8.8
145.07121	4.1
155.01869	19.4
157.03398	4.6
161.02943	33.4
165.05147	8.5
167.01909	6.2
169.03462	4.3
173.02983	13.7
184.04533	45.0
185.03003	19.5
196.04591	14.2
197.02986	8.0
203.04008	10.8
208.04575	18.1
214.05606	5.6
226.05859	4.2
245.05037	100.0
257.04959	6.0
263.06165	17.0
286.07553	18.9
293.85257	4.4
305.07153	12.0
365.09006	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	425.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
96.37385	2.5
101.00898	9.2
111.96146	2.4
115.08622	2.9
119.01939	20.0
124.02427	5.0
131.01910	6.3
132.26498	2.6
142.03453	13.5
143.01900	27.1
145.03494	5.8
154.03592	4.0
155.01903	10.5
157.03494	5.2
160.04474	2.9
161.02948	27.3
165.05092	7.0
167.01842	6.7
170.03284	2.7
171.09752	2.7
173.03003	11.4
180.05156	3.8
184.04543	46.8
185.02895	20.0
185.04376	2.9
196.04562	18.1
197.02969	10.3
203.04024	11.0
208.04547	23.5
215.04111	4.0
220.04488	5.6
226.05699	7.4
227.04034	5.9
238.05632	6.9
245.05060	100.0
263.06107	13.9
275.06155	8.6
286.07751	19.7
305.07111	13.2
316.08905	4.6
365.09363	5.6
425.11597	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	425.1417
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
51.36766	1.0
197.55898	1.3
223.65334	1.5
293.10010	3.0
296.95557	1.7
425.14130	100.0
426.14594	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	425.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60331	4.2
68.98871	6.3
69.03444	6.3
79.05497	6.1
81.07026	10.2
85.06544	8.1
91.05530	5.3
99.08115	15.4
105.07087	5.8
128.06276	5.8
143.08568	7.8
169.06445	6.0
194.17157	5.5
201.05605	6.8
218.88924	5.4
236.68266	5.8
238.45502	5.8
297.59830	6.1
317.73990	6.8
361.12799	12.5
425.08664	6.1
425.14078	100.0
443.15430	33.7
444.15533	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	425.1418
Annotation	Ginkgolide B
Peak:m/z	Relative Intensity
76.33770	4.3
80.65892	3.3
81.94038	3.2
83.45557	3.2
84.08118	4.1
104.46799	3.3
137.05919	4.0
139.03888	23.5
173.42197	4.4
177.64536	4.2
212.70424	4.0
229.04996	8.7
245.04529	5.2
251.79819	3.9
257.04391	46.3
258.04846	4.9
260.79797	5.0
287.05429	5.1
425.08630	13.5
425.14081	100.0
446.14252	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	425.1431
Annotation	Ginkgolide B
Peak:m/z	Relative Intensity
55.60331	4.2
68.98871	6.3
69.03444	6.3
79.05497	6.1
81.07026	10.2
85.06544	8.1
91.05530	5.3
99.08115	15.4
105.07087	5.8
128.06276	5.8
143.08568	7.8
169.06445	6.0
194.17157	5.5
201.05605	6.8
218.88924	5.4
236.68266	5.8
238.45502	5.8
297.59830	6.1
317.73990	6.8
361.12799	12.5
425.08664	6.1
425.14078	100.0
443.15430	33.7
444.15533	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	425.1438
Annotation	Ginkgolide B
Peak:m/z	Relative Intensity
52.89523	8.9
57.07057	43.6
59.28744	8.8
62.49926	9.5
64.18510	9.1
76.62896	9.9
91.05460	19.8
95.04989	17.7
105.07052	35.3
107.05002	13.3
107.47665	9.4
123.04465	13.5
133.06447	22.2
147.04370	11.2
149.05965	14.6
151.03906	13.4
151.07587	11.3
161.05998	38.1
173.05930	12.3
178.84370	12.6
179.03384	23.3
179.06966	11.9
187.07553	13.8
189.05490	31.9
191.07100	22.4
203.07036	13.1
207.06538	12.5
215.07048	23.1
235.05988	21.9
240.88026	12.9
309.06094	52.0
337.05515	18.0
351.14420	16.6
379.13910	15.1
425.14438	32.5
443.15533	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89507	16.1
57.07059	68.2
67.05485	19.5
81.07030	25.1
83.01322	24.5
95.08569	23.9
105.07027	57.8
111.08063	23.1
131.04958	22.8
133.06487	49.9
135.08092	22.9
145.06523	22.8
161.05981	44.7
164.07048	33.1
178.08578	26.8
179.06979	40.1
189.05368	31.1
231.06303	26.8
235.06055	44.4
286.43176	24.3
309.05994	100.0
397.31345	24.5
397.58920	28.6
425.14606	35.2
426.22818	52.1
443.15356	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83124	12.6
55.05498	16.1
57.07069	100.0
62.69733	13.9
67.05514	17.5
83.01327	18.8
89.27853	15.4
91.05478	22.8
95.04970	17.6
105.06984	16.9
111.08029	21.9
113.09624	16.3
121.06545	18.4
123.04427	17.2
125.02406	20.1
129.07053	18.1
133.06499	26.8
145.06465	22.4
147.07994	37.0
149.06003	22.0
151.03925	17.7
157.06493	42.3
159.08023	32.4
161.06003	36.6
171.08168	20.1
175.07526	28.1
179.03357	40.5
185.06082	30.1
187.07571	46.9
189.05440	39.0
197.13338	19.5
203.07018	83.2
213.05429	20.8
213.09167	42.1
231.06540	72.8
235.06081	67.6
249.07541	39.6
259.13217	24.3
277.07089	59.2
287.12744	24.3
297.11172	22.4
305.13962	30.3
309.06149	82.1
315.12256	43.4
333.13364	78.0
343.11603	21.5
351.14569	32.0
361.12680	23.1
379.13907	32.5
425.14212	23.4
443.15613	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09966	4.8
57.07069	32.2
69.03421	5.4
78.72713	6.1
81.07069	5.0
91.05466	8.8
91.71563	7.4
95.04958	11.5
105.07015	9.5
107.08611	7.6
111.08101	10.0
123.04427	13.4
131.08582	8.9
131.32791	6.9
133.06505	14.7
135.08105	9.4
141.07018	8.8
141.84415	6.6
145.06493	17.4
149.05965	10.9
151.03932	23.2
151.07497	8.5
157.06534	8.3
159.08058	14.4
161.05986	25.0
163.07570	9.8
173.09662	9.0
175.07492	7.6
179.03413	19.5
185.05986	8.6
185.09621	7.2
187.07642	9.5
188.60193	6.6
191.07095	16.9
197.04498	9.2
207.06543	18.9
213.05574	9.3
217.04820	6.8
219.06740	8.8
231.06764	9.1
235.06021	12.1
245.04594	9.5
259.13397	11.1
309.06015	82.4
315.11920	7.4
333.13269	7.7
343.11502	8.1
350.13708	11.9
351.14380	13.2
406.38922	8.0
425.14288	16.0
443.15396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95754	4.5
55.05494	12.2
56.96547	26.6
57.03432	14.4
61.59929	6.1
62.10634	5.4
64.15589	4.9
67.05495	15.8
69.03411	8.3
69.07058	93.4
70.06571	14.2
70.68826	5.5
70.80479	5.8
71.04983	12.2
73.24265	5.4
81.07054	19.0
83.04966	17.4
83.08618	10.5
84.04483	9.4
84.08138	18.9
85.02877	29.4
85.06531	10.9
86.09693	9.7
91.05457	13.0
93.07046	19.1
95.05001	7.5
95.08593	18.9
97.06512	15.6
97.99231	5.6
98.97594	31.6
99.08107	26.2
107.08587	38.7
109.10152	23.2
113.09652	23.0
116.98637	9.9
121.06439	6.3
121.10130	36.6
123.11705	13.2
125.09630	11.5
127.03883	6.3
127.07629	6.7
128.98560	6.8
129.10196	8.2
130.82217	5.5
131.08557	7.1
133.10129	22.9
135.08054	6.2
135.09549	5.9
135.11702	23.7
137.09584	14.5
139.07668	6.1
139.11244	9.5
140.00182	13.8
143.50778	5.9
147.04439	7.5
147.11708	10.1
149.09627	14.3
149.13266	13.7
151.11201	19.1
153.09113	9.7
163.14828	24.9
165.12794	9.7
170.01421	6.8
173.13246	20.3
191.14342	38.0
199.79755	6.6
209.15346	100.0
213.04343	13.8
227.16393	42.2
228.16881	8.3
237.02885	7.8
239.02332	13.9
242.03308	10.1
245.17441	56.5
262.03961	11.4
283.06143	11.5
285.05640	10.3
337.14340	6.2
365.05341	70.0
406.08017	36.0
412.65924	7.5
417.10620	6.9
425.19955	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	425.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25271	2.1
107.61427	2.3
111.75709	2.3
156.79425	2.7
160.60168	3.1
221.02631	3.5
265.47589	2.8
365.22974	15.8
425.25052	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94479	2.2
68.62682	2.2
72.57667	2.5
91.05457	2.6
101.53378	2.4
183.98587	2.4
199.54974	3.1
219.90363	3.1
306.49649	3.0
340.11746	3.4
365.22906	15.4
425.25018	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.1
55.01857	10.6
55.05498	18.9
56.93233	3.0
57.03423	5.8
57.07064	18.4
58.23921	3.1
65.03932	3.8
67.05499	94.8
69.03410	13.7
69.07072	19.3
70.86579	3.8
71.04980	10.8
71.08620	10.0
79.05489	19.4
81.03394	12.3
81.07044	87.3
83.08614	18.2
88.39398	3.2
89.06010	20.2
91.05463	20.9
93.07038	40.3
93.99626	3.5
95.04972	4.2
95.08595	73.2
97.02884	100.0
97.06517	7.1
97.10121	9.1
99.04451	45.9
105.07006	10.9
107.08585	14.5
109.02871	15.1
109.10165	24.1
119.08555	7.7
121.10127	12.2
123.11716	13.9
127.03904	27.4
133.08611	10.3
133.10153	6.4
135.11633	5.4
137.13243	7.0
145.04948	11.6
147.11703	6.7
149.13249	5.9
161.13284	9.0
168.85741	4.0
175.14807	5.2
197.32697	4.0
239.14857	10.3
245.22662	7.4
263.23621	23.5
407.33331	4.3
409.15085	5.7
427.16245	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	425.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.9
55.01860	14.4
55.05499	18.9
57.03417	6.9
57.07064	16.0
65.03926	5.2
67.05499	100.0
69.03422	36.7
69.07053	31.6
71.04981	10.0
71.08619	3.7
73.02935	6.5
79.05501	20.3
81.03419	39.6
81.07052	90.5
83.04960	5.8
83.08614	15.8
83.67866	3.7
85.02901	13.5
91.05471	16.3
91.70994	4.2
93.07038	26.0
95.04939	6.0
95.08601	67.1
97.02887	58.7
97.06522	7.2
97.10184	11.1
99.04456	44.5
105.07040	14.9
107.08582	13.5
109.02914	22.6
109.10139	25.6
111.04449	3.9
119.08604	12.3
121.10155	14.8
123.11713	11.1
127.03910	51.2
131.08536	4.3
133.10143	10.3
134.21666	3.9
135.11678	8.9
135.96364	4.7
137.13234	6.7
145.04951	5.0
147.11615	8.3
161.13257	5.8
175.14879	7.2
193.23793	4.3
224.89139	4.8
238.62679	4.8
245.22800	5.7
254.66910	4.7
261.21979	7.5
262.81958	4.8
263.23709	18.9
323.23727	4.8
357.01846	5.2
397.09464	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	426.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07086	12.7
66.03930	10.1
71.66576	9.6
73.03982	10.6
81.00216	11.7
85.50961	11.3
97.27801	13.0
112.58514	13.0
123.39162	14.2
137.22849	13.1
197.13283	19.7
217.18851	13.6
250.14531	15.1
299.12823	23.4
312.57269	12.6
335.14944	35.2
345.13358	26.5
363.14328	32.7
409.14798	52.1
426.17477	68.7
427.15796	100.0
450.17563	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	426.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53091	5.1
56.46893	5.3
57.03478	5.0
57.07055	24.4
70.93964	6.3
83.08651	5.1
93.07066	9.1
95.08588	13.7
105.07027	10.1
107.08606	6.4
108.09105	5.7
109.18025	5.2
119.08547	5.9
131.08517	10.2
133.06485	9.3
135.07979	6.2
137.05966	7.7
143.08542	9.9
145.06506	9.1
149.05948	8.2
159.08032	11.3
173.05971	11.0
187.07552	16.7
191.07021	6.0
197.06062	9.3
197.13226	7.7
205.08594	8.8
215.07016	30.3
219.06427	6.7
241.60420	6.2
249.07504	7.2
249.11794	7.5
253.12132	7.2
271.13406	10.3
289.14334	9.2
293.06583	10.6
317.14026	12.8
335.14859	17.6
409.14969	50.5
426.17676	51.0
426.22748	12.8
427.15985	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05292	5.4
57.07072	9.5
58.22529	4.3
59.05003	8.9
59.31808	5.0
68.91301	5.2
71.42067	5.2
79.80621	4.8
80.79445	5.2
95.08623	11.5
111.08036	6.7
111.29656	6.4
113.09641	13.7
119.08575	7.5
131.08646	6.3
157.06584	7.5
157.10175	10.0
159.08162	7.9
169.10172	7.5
225.09209	8.7
249.07747	8.4
253.12219	9.2
255.89951	6.7
271.13370	12.4
281.11893	8.3
283.13666	8.6
299.13043	14.3
327.12408	12.1
345.13388	19.1
347.14569	9.4
363.14523	11.5
409.14804	49.9
426.17587	61.4
427.15952	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47812	4.6
57.07056	7.5
60.14920	5.4
63.83576	5.3
68.76473	5.7
70.53017	4.9
80.03732	5.1
80.14670	4.6
95.08588	11.7
107.57356	5.7
113.09592	8.7
119.08553	6.6
124.96201	5.5
157.10046	7.5
169.10379	7.6
173.09554	7.9
185.09608	7.6
187.07478	7.8
195.59575	6.2
197.09535	7.4
199.11185	7.7
225.12836	6.6
233.98833	7.1
249.07536	9.1
253.12227	10.8
265.12189	7.0
271.13321	10.8
281.11771	7.3
299.12836	12.8
309.11072	6.4
327.12396	12.2
332.46857	7.7
345.13373	18.9
363.14432	12.2
409.14969	55.0
426.17557	75.8
427.15945	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19052	0.7
55.68312	0.7
56.20188	0.6
68.89619	0.7
70.06584	100.0
74.06042	0.9
79.83506	0.7
85.02861	0.7
86.09734	0.8
91.71008	0.8
97.73502	0.7
103.36234	0.7
129.10281	1.0
146.68385	0.9
192.84879	0.9
251.44684	0.7
264.15820	1.2
341.09015	0.9
426.21149	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	426.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92672	4.4
56.04488	4.5
57.07074	34.3
57.07314	4.5
59.24062	4.1
67.32389	4.7
69.07081	8.7
71.08622	55.2
73.06560	6.3
81.54285	6.0
85.10197	24.4
89.06022	100.0
89.06521	6.0
95.08622	10.1
130.08667	11.7
133.08614	41.5
167.68460	6.4
172.38139	5.9
177.11279	15.0
267.33484	7.1
283.17651	11.0
327.12393	7.1
345.13416	16.1
347.68329	6.1
363.14319	10.0
409.14853	17.6
409.31458	13.6
412.18701	5.9
414.16431	6.4
426.17834	18.5
427.15906	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	20.2
57.07064	26.1
67.05488	6.6
69.07047	25.4
71.08617	34.0
80.67673	6.7
81.07047	20.0
93.07058	15.3
95.08594	7.4
97.06512	8.2
97.10149	6.5
98.97567	8.3
119.08618	6.0
121.10132	23.8
130.69328	5.5
139.03964	7.7
139.11200	33.1
144.89464	5.9
151.77597	5.7
165.76744	6.7
181.02838	10.3
184.02834	6.5
185.11790	8.2
203.12755	78.4
222.99171	18.2
237.53178	6.2
241.00153	94.7
242.03404	8.7
245.98520	6.7
246.00572	31.5
256.08994	6.2
259.01230	29.6
259.06268	6.9
260.04599	7.4
264.01764	100.0
282.02713	12.4
287.03378	88.7
289.06992	7.1
305.04507	9.8
306.02643	9.3
356.29266	8.0
367.03516	39.3
396.40012	6.9
408.05972	61.6
420.08746	6.6
427.15976	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.4
57.07076	26.0
64.54055	5.7
67.05519	6.9
67.46768	4.5
69.07069	23.6
71.08621	29.8
71.62156	4.7
79.05482	6.2
80.37573	5.5
81.07067	25.5
81.72272	4.8
83.04974	10.7
93.07065	8.7
94.10289	5.1
95.08593	12.9
97.06562	7.7
97.10155	9.6
107.08657	5.5
121.10138	37.1
139.11140	38.8
158.86777	6.3
185.11766	12.9
203.12755	91.5
203.14491	6.8
235.12947	6.5
319.15656	7.5
333.63638	6.6
380.23114	7.3
409.15112	16.8
427.11716	100.0
427.17169	14.0
428.16592	7.5
432.14792	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	427.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14626	2.9
54.12820	3.5
55.01864	5.1
56.81814	3.3
56.85096	3.8
57.07062	14.1
59.83211	4.0
65.03933	5.3
67.05490	7.8
69.03400	4.6
69.07049	12.2
71.08620	16.9
71.55367	4.0
79.05486	9.9
81.03410	10.2
81.07054	10.3
93.07034	8.4
95.04967	7.4
95.08585	7.9
96.11120	4.0
107.04943	9.8
109.02894	18.9
110.03671	17.3
111.04435	15.6
117.49415	3.8
119.04916	4.7
121.10159	12.4
123.04427	100.0
125.05997	53.3
127.03945	5.1
133.02534	4.3
135.04436	9.9
137.05959	33.7
139.03893	9.8
139.11220	11.0
147.04347	21.4
149.92770	4.4
151.03899	59.5
161.05954	8.3
163.03854	5.1
165.05508	11.8
169.04970	17.5
193.04977	11.8
203.12778	38.3
207.06461	6.1
229.47194	4.4
275.09100	32.8
285.07431	7.4
303.08640	73.5
327.34119	5.3
333.27521	5.0
361.08640	5.2
409.15158	8.3
427.15759	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	427.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	2.3
69.07069	1.7
71.08635	1.8
71.54858	0.7
78.73113	0.7
81.07045	1.3
92.89787	0.8
93.07035	1.1
94.04072	2.5
95.08620	1.9
104.29672	0.9
113.09704	0.8
121.10140	2.9
139.11201	2.8
139.27919	0.8
145.10027	0.9
150.07735	100.0
163.74339	0.9
203.12776	9.4
230.05948	0.9
295.11453	17.4
360.20499	1.1
409.15079	1.1
427.16098	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	427.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.6
56.42210	2.0
57.07063	14.1
58.12870	2.3
60.77173	1.9
62.50402	2.2
69.07051	8.1
71.08616	8.2
73.20715	2.1
79.05469	2.2
81.07040	7.0
93.07034	7.2
97.06490	4.1
97.10139	3.1
110.27476	3.0
111.29449	2.9
118.26620	2.9
121.10118	7.6
139.11180	8.7
140.03220	3.2
185.11821	3.5
189.05243	8.0
203.12747	35.0
219.49503	2.5
265.10391	16.9
291.31516	3.1
315.20035	3.1
345.13379	3.8
360.82193	3.2
409.14993	4.4
427.15735	100.0
428.16180	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	427.1962
Annotation	Lactuside A
Peak:m/z	Relative Intensity
55.01874	1.2
55.52377	1.1
57.03427	2.5
57.07064	2.4
61.02916	1.1
67.05495	1.7
69.03408	5.7
69.07051	1.2
75.04462	5.1
78.87580	1.1
79.05464	1.4
81.03415	2.2
81.07037	2.6
83.04974	1.5
84.61145	1.3
85.02887	11.6
91.05478	3.1
93.07029	2.4
93.25603	1.1
95.04940	1.4
95.08576	2.0
97.02863	3.9
105.07025	2.0
106.00809	1.1
109.02818	1.5
109.06541	1.4
119.04967	2.3
119.08546	2.9
119.21614	1.1
121.10125	1.7
127.03927	2.4
128.06256	1.8
129.06976	2.0
131.08565	2.3
137.05989	1.8
139.11121	2.2
143.08475	1.3
145.04906	1.6
145.06491	1.4
145.10100	2.6
147.08052	3.4
161.09666	1.6
171.08069	2.5
173.09602	1.6
183.21205	1.2
189.09094	20.9
203.11041	1.4
203.12776	5.8
216.18915	1.2
247.13298	5.1
265.14313	100.0
293.03683	1.4
340.34250	1.3
350.19922	1.4
451.48175	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	427.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54511	3.3
53.03924	5.4
54.42405	3.8
55.01851	5.5
55.05489	4.1
57.07051	6.5
60.52303	3.5
67.05480	8.0
69.07041	4.5
71.08610	6.3
74.64378	4.2
79.05482	29.9
79.69402	3.8
81.03407	100.0
81.07037	11.9
83.04986	9.6
91.05459	24.7
93.07040	23.4
95.04967	14.9
95.08573	5.0
100.32887	4.2
105.07027	20.2
107.04954	22.9
107.08642	10.0
109.06461	4.5
109.10137	5.6
117.07007	13.0
118.06533	4.7
118.19537	4.2
119.08552	23.0
121.06474	5.7
129.07011	10.2
131.08586	12.7
133.06444	5.6
133.10124	20.5
135.08029	37.9
139.03862	6.8
139.11162	7.8
143.08542	7.1
145.06441	12.6
145.10170	7.2
147.08041	27.8
159.08098	7.3
159.11684	8.1
161.09593	34.8
165.09192	6.3
173.13219	8.0
178.08606	15.6
179.09047	7.5
179.10681	15.5
183.11670	11.7
201.12755	41.0
203.10820	6.2
203.12787	18.8
229.12268	13.2
233.99922	4.4
247.13260	31.3
312.34711	4.8
409.14737	5.6
427.16241	9.1
427.22794	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	427.196
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
52.29530	6.3
52.50324	6.2
55.01857	9.5
55.05494	9.2
57.07067	39.0
59.04994	6.6
67.05489	14.7
69.07056	35.4
71.08610	40.7
77.69374	7.0
79.05479	14.7
81.07061	24.9
83.66907	8.3
84.08140	8.6
85.02896	23.1
91.05487	10.5
93.07040	32.7
95.08602	15.5
97.06530	18.4
118.12325	8.4
121.10159	33.6
131.08530	15.1
139.11142	43.3
147.04433	12.3
149.99678	8.5
189.09134	8.6
201.12808	34.7
203.12779	89.2
205.08574	16.9
219.13828	100.0
229.12302	12.4
246.93117	9.6
247.13231	85.8
265.14340	78.7
427.16006	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	427.1962
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
54.79116	3.7
55.05484	6.5
57.07060	7.3
59.04985	15.3
61.02910	6.3
67.05490	6.9
68.30488	4.0
69.03403	14.3
69.07056	11.3
70.06570	9.1
71.08641	8.9
79.05476	10.4
81.03381	8.2
81.07034	14.7
83.04962	10.5
85.02901	41.1
86.04949	4.7
91.05463	14.4
93.07039	13.1
95.04932	7.1
97.02872	18.4
101.81052	4.8
105.07018	22.7
107.04951	8.5
107.08550	5.0
107.59694	4.9
117.07012	22.6
119.08569	11.8
120.08125	8.4
121.06487	9.7
121.10089	6.2
127.03909	7.1
128.06219	14.4
129.07021	4.4
131.08557	29.2
133.10146	20.0
139.11162	11.9
143.08557	21.5
145.04924	6.8
145.06482	26.4
147.08009	12.3
155.08525	6.0
159.08018	6.8
161.09601	100.0
173.13252	7.7
189.09087	39.5
201.12758	48.1
203.12639	28.7
207.10014	28.2
219.13771	48.3
229.12271	21.3
234.27272	5.5
247.13283	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	427.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	5.3
57.07064	20.1
65.70425	3.4
67.05494	3.8
69.07060	12.2
71.08618	14.1
71.96376	4.0
76.02263	4.0
81.07047	11.3
82.02744	3.9
84.56071	4.5
91.71374	6.4
93.07039	9.8
95.08587	5.5
97.06522	4.1
106.51929	4.3
111.69019	3.9
113.09704	3.7
121.10124	10.2
127.76537	4.0
132.68146	4.1
139.11137	19.6
141.32805	3.5
185.11748	4.2
203.12675	33.6
263.19827	10.6
427.16086	8.0
427.18259	5.9
427.24475	100.0
428.16272	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	427.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	3.5
57.07053	10.5
69.07058	8.1
71.08601	9.5
76.83763	2.9
81.07051	4.2
84.78298	2.6
85.24512	2.9
91.05447	3.5
93.07071	4.9
95.08614	7.7
97.10174	4.2
98.27906	3.1
117.28775	2.9
121.10133	9.7
139.11183	7.2
203.12758	27.6
263.19800	14.2
333.37115	3.2
427.18524	5.3
427.24518	100.0
428.16348	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07053	14.3
67.05486	9.4
69.07043	9.2
71.08603	9.6
79.05466	4.2
81.07035	11.7
93.07014	6.6
95.08585	8.6
97.06481	3.0
97.10157	4.8
105.07018	4.5
119.98969	3.4
121.10126	9.5
131.08499	3.3
139.11166	8.5
185.11865	3.7
187.03654	11.0
203.12785	31.6
208.94647	3.1
226.23003	4.2
253.44363	3.2
263.09116	3.0
263.19684	18.7
427.16049	6.7
427.24518	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04028	0.7
57.07065	1.6
58.17520	1.0
69.07050	1.8
71.08618	1.2
71.46716	0.8
72.40749	0.8
87.85791	1.0
88.66357	0.9
88.98911	1.0
91.71627	1.3
98.88796	0.9
101.26764	1.1
138.84627	1.0
167.03006	1.2
188.66818	1.0
198.89960	1.1
203.12741	1.7
216.11723	1.3
218.86124	1.0
367.24496	15.1
427.26624	100.0
428.16589	2.4
428.27130	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	428.146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02458	3.0
53.43868	3.7
55.05509	3.3
57.07056	12.9
66.60868	3.7
69.07050	7.4
70.06575	15.8
71.08617	10.7
72.08140	11.7
81.07030	10.6
84.04482	23.6
84.08130	12.2
85.02875	6.8
86.09704	9.2
93.07048	7.0
95.08583	4.3
97.06564	4.0
97.10133	5.6
101.07177	4.0
102.05511	4.2
108.53510	4.8
121.10175	7.0
123.04369	4.6
130.04999	23.2
136.06206	12.3
136.07538	5.1
139.11179	8.6
147.07671	11.6
150.07739	100.0
151.03876	4.5
151.08144	40.8
185.11795	5.6
192.71521	4.8
199.78195	4.3
201.03177	5.4
203.12799	32.1
204.13121	9.2
223.47462	4.1
231.62984	4.3
263.46347	4.0
276.87173	4.5
295.11389	5.1
296.11786	12.5
299.10361	38.6
308.09332	6.0
383.12326	9.1
393.42441	5.3
427.19144	5.7
428.14523	100.0
428.19086	7.1
429.20639	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	428.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45552	4.0
55.05505	5.8
55.47995	3.7
57.07072	50.7
59.17881	3.8
67.05505	6.3
69.03414	4.6
69.07046	14.7
69.60604	4.3
71.08613	14.2
79.05489	4.8
79.34381	4.8
81.07030	12.4
82.54988	4.7
83.01302	6.4
83.08591	5.2
85.02925	4.3
90.45939	4.8
91.05476	9.6
93.07027	13.3
94.06377	5.2
95.04933	8.0
95.08603	42.2
96.08979	4.6
97.10139	6.4
98.99158	4.1
105.07065	14.5
111.04446	6.7
113.09640	8.0
119.04925	4.7
119.08604	7.5
121.06538	6.7
121.10136	16.4
123.40681	5.1
131.08620	7.9
133.06505	18.2
133.10136	6.5
139.11157	9.7
143.08549	19.0
145.06610	7.0
147.08032	7.2
149.05995	7.3
149.09674	10.4
157.10161	8.9
159.08087	7.9
161.05997	16.2
171.08086	20.5
173.09615	6.3
175.07510	8.0
185.09903	6.0
189.05501	19.8
189.09087	12.2
198.14590	5.7
199.03967	5.4
199.07565	20.7
201.09134	8.4
203.12714	25.3
214.85289	5.7
217.08644	19.0
231.13791	7.9
237.12718	5.8
245.08173	8.4
245.15405	14.5
255.13843	9.4
263.05447	7.0
263.09198	8.0
273.07449	6.5
273.14856	10.7
301.14392	12.2
319.15512	32.7
329.13980	11.6
337.16443	12.4
347.14737	13.0
365.15894	15.4
393.15689	31.2
411.16394	100.0
428.19128	91.2
442.57086	5.6
452.19299	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	428.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08694	2.9
54.52358	2.6
55.01848	3.5
55.05505	3.9
57.03423	4.1
57.07066	30.9
69.03410	4.6
69.07043	6.0
71.08617	6.1
71.28513	3.4
76.75723	3.0
79.05495	4.2
81.07059	7.2
83.01339	5.9
83.08624	5.2
91.05475	6.5
91.71127	4.5
92.60159	3.3
93.07034	6.0
95.04984	3.8
105.07009	6.4
106.86591	3.7
111.08088	14.5
118.30994	3.0
121.06473	3.6
121.10172	6.1
123.04430	3.9
129.07127	3.7
133.06473	4.8
139.11209	5.2
143.08569	4.7
145.06491	3.8
147.04419	10.5
147.08035	4.0
149.05998	5.1
157.10226	3.6
161.06007	11.3
171.04321	4.0
171.08105	15.0
189.05504	8.3
191.10826	4.3
199.07404	10.0
203.12804	13.5
217.05069	11.1
217.08630	8.7
227.07043	9.3
245.08092	15.0
255.06572	4.6
266.14755	9.1
273.07693	12.2
273.14899	8.4
301.14389	6.8
319.08228	7.8
319.15347	7.3
325.74960	4.0
329.13782	12.5
375.14450	13.8
393.15323	12.0
411.16422	100.0
452.19031	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	428.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	100.0
60.73134	8.7
67.05506	9.5
69.07036	10.6
71.04987	13.1
71.08628	27.9
79.79747	9.7
81.07047	10.9
85.01234	9.1
85.02898	10.5
87.19083	7.7
91.71733	12.4
93.07029	18.0
95.08602	18.4
97.06523	10.5
97.10165	11.7
99.04440	34.6
113.04703	9.8
119.08575	15.9
121.10136	27.9
129.07060	15.4
131.08566	11.4
132.98784	8.5
139.11195	30.6
142.07755	28.6
143.08563	29.8
157.10124	55.7
178.08522	10.3
203.12706	73.9
204.13184	18.0
231.13768	98.6
249.14822	16.8
263.09213	22.1
272.16251	15.4
292.71915	9.9
296.70383	14.3
319.65222	10.9
337.16205	12.0
361.41980	12.7
365.15985	24.1
375.14099	19.4
397.52048	12.1
411.16663	18.3
429.17606	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	428.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.2
60.08150	9.2
63.80053	0.7
67.05479	1.2
69.07040	1.5
70.06591	1.2
71.07357	2.3
71.08591	0.9
86.09696	39.2
97.10126	1.6
98.98455	2.6
104.10739	4.3
104.58110	1.0
108.26904	1.0
117.61235	1.0
120.08076	1.5
124.99991	18.1
125.09636	2.0
146.45920	1.1
184.07330	100.0
185.07625	1.2
194.66234	0.9
203.12785	1.7
269.86520	1.1
349.22675	1.0
360.03702	1.2
428.20425	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	428.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.4
56.05020	1.7
57.03420	0.8
57.07063	1.0
58.06579	1.3
60.08152	17.0
62.96041	0.5
67.05491	1.5
67.40672	0.6
69.07028	1.6
70.06578	3.5
71.07359	6.8
71.08619	1.1
72.08151	1.1
81.07040	1.7
83.08604	1.3
84.08155	1.0
86.09696	54.0
87.10045	0.8
95.08589	0.8
97.02853	0.8
97.10162	5.9
98.95022	0.9
98.98453	2.3
104.10735	100.0
107.08603	1.0
120.08073	2.3
121.10125	1.1
124.99992	21.9
125.09594	3.4
128.17558	0.8
136.06171	2.4
139.11195	1.6
166.02638	1.2
184.07327	78.7
185.07762	0.9
203.12808	3.4
232.08449	0.9
245.13731	1.9
380.25323	0.7
410.19336	4.4
428.20374	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	428.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84000	3.6
57.07062	10.4
67.18613	3.1
70.74992	3.4
72.16733	3.3
79.05492	4.1
120.08082	6.5
135.06773	23.4
136.07564	7.3
147.41710	4.3
148.07582	13.1
150.09122	41.0
161.06036	4.5
163.09915	10.7
164.07053	100.0
164.08369	6.9
165.07857	69.8
165.09125	7.2
178.08620	86.3
179.09380	38.2
180.10167	82.7
198.35756	4.3
203.12762	10.5
208.08708	4.0
218.47989	4.4
241.81488	3.7
245.63327	4.3
263.08344	3.8
292.73297	4.0
311.05084	4.6
370.20035	20.4
404.30185	4.2
428.24271	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	428.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	10.0
57.03421	17.4
57.07060	11.1
61.02910	13.4
61.37952	3.5
64.68187	3.7
68.62570	3.5
69.03415	36.2
69.07047	6.0
71.01311	3.8
71.08626	5.0
73.02907	49.4
76.03255	3.4
79.67117	3.6
81.01685	3.6
81.03405	5.9
83.04990	3.8
85.02895	100.0
87.04444	4.8
91.03915	3.7
97.02887	50.3
99.04444	4.8
101.96159	4.8
109.02849	5.2
115.03928	24.5
121.10153	6.3
127.03910	25.9
127.64125	3.5
129.02336	3.9
133.04988	23.0
145.04977	37.7
150.07658	5.2
163.06017	11.4
163.11108	4.1
203.12744	9.8
223.06107	4.2
241.31625	3.9
393.15286	5.6
411.16354	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	428.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90971	4.1
55.01844	7.9
57.03415	18.1
57.07055	10.3
57.27868	4.5
57.51882	4.3
59.65490	4.8
61.02909	12.9
63.83104	4.3
69.03430	34.4
71.01333	11.0
71.08620	8.9
73.02904	52.9
81.07030	5.7
82.37143	4.5
85.02894	100.0
85.03375	9.1
87.04469	8.0
93.07030	6.1
95.08578	10.9
97.02876	57.1
97.10123	4.6
109.02869	5.1
115.03913	25.4
121.10150	6.9
127.03908	22.4
133.04955	17.3
135.06822	9.1
145.04936	27.2
148.07555	7.0
150.09109	20.0
163.06033	10.4
164.07048	46.5
165.07855	26.4
178.08612	27.0
179.09373	10.4
180.10182	36.8
203.12830	16.6
370.19592	8.2
428.24350	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
53.18594	2.2
55.05503	81.3
65.63902	2.0
67.05165	4.2
67.05495	40.3
69.07048	6.7
71.08614	2.1
79.05473	7.8
79.06957	2.0
80.46543	2.3
81.06601	4.7
81.07051	52.2
83.08609	100.0
83.58373	2.3
91.05463	7.0
91.71666	4.8
93.07026	12.4
95.08591	46.0
97.10164	5.9
105.07021	3.9
107.08616	7.2
109.10149	24.5
117.92331	2.7
119.08582	4.9
120.08154	2.5
121.10126	12.9
123.11720	9.8
126.84592	2.4
131.08592	4.2
133.10123	12.3
135.11717	10.6
137.09560	4.3
137.13301	3.5
145.10094	2.7
149.13297	5.5
151.11183	6.4
159.11690	3.4
163.14746	3.6
169.82890	2.6
193.76913	2.5
200.37833	2.4
203.12737	3.2
204.13072	3.4
215.17961	10.6
233.19035	7.9
251.20061	37.6
269.21072	4.6
333.28009	8.5
336.58807	3.7
346.89813	2.7
417.53674	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	428.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27394	3.3
90.57366	3.8
91.98081	3.5
110.93787	3.6
141.75958	4.2
159.10426	18.1
160.11186	4.5
172.11226	15.1
173.12027	5.8
227.32693	4.0
242.19125	5.9
382.34641	100.0
428.35251	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07250	29.1
56.96572	25.4
57.07066	39.1
67.53433	28.5
68.78400	33.2
80.16582	32.1
81.07053	42.7
98.97606	52.9
105.07039	42.8
115.87793	37.0
119.31893	32.2
121.10213	34.7
129.07005	30.8
131.08609	48.5
139.36447	30.4
140.00186	64.8
142.05167	28.8
145.10182	36.0
176.43771	32.8
203.12730	48.3
237.02673	39.6
290.10712	100.0
309.10269	44.1
347.15125	56.2
365.15897	93.8
429.17490	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1756
Annotation	Pteroside U
Peak:m/z	Relative Intensity
54.61674	4.0
55.01880	4.4
55.05508	4.4
57.07066	35.5
63.10909	4.0
67.05493	12.4
69.03432	6.9
69.07043	5.4
79.05489	6.9
81.07059	6.6
83.01316	7.3
83.04990	5.3
83.08659	4.5
91.05468	8.9
93.07033	9.7
95.04988	5.1
95.08599	53.4
97.02929	6.0
105.07033	15.5
113.09646	19.1
117.06997	7.6
119.08627	5.3
121.06483	9.3
121.10112	5.9
123.04372	6.3
126.67447	4.9
128.06206	6.8
129.06990	6.5
131.04926	10.1
131.08566	5.5
133.06509	8.6
133.10051	7.0
135.08125	5.8
137.05986	7.4
139.03831	23.0
143.04893	4.8
143.08580	11.4
145.06517	6.3
145.10204	6.5
147.08115	5.7
157.10170	5.7
159.08040	7.5
161.05972	16.5
161.09641	6.8
171.08051	12.8
173.76541	5.4
175.07596	5.7
177.05458	8.3
177.12775	5.9
179.07011	5.4
187.11172	5.6
189.05467	12.2
189.09174	9.3
199.07584	8.8
201.05611	5.2
202.95413	4.5
217.04843	8.2
217.08658	12.8
217.12354	6.0
245.08003	7.3
263.09021	7.0
273.07462	7.6
273.14822	11.8
275.12903	6.2
291.15839	8.5
301.14423	13.8
319.15518	27.3
329.13809	13.5
337.16595	18.8
347.14786	13.1
365.15921	17.1
375.14401	13.7
393.15430	100.0
411.16113	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	429.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52792	16.4
57.07072	100.0
58.07412	19.1
67.05505	23.9
69.03413	21.6
77.01352	13.3
81.07046	18.4
83.01346	25.5
83.05001	15.7
84.06990	16.1
85.02889	26.3
91.05465	27.1
95.02731	17.6
95.04959	18.7
95.08605	76.4
97.02921	29.3
105.07005	46.2
111.04456	14.8
113.09695	41.0
117.07001	16.6
131.08543	16.2
135.02722	16.6
135.04364	19.9
136.19231	15.7
147.08105	19.0
149.09622	16.6
156.04414	15.6
157.87952	17.0
209.11749	31.2
227.07108	21.6
228.02170	17.7
229.12343	28.8
231.13812	30.8
245.08060	39.2
256.01974	18.2
267.15826	20.0
283.13431	28.1
301.14395	51.0
319.15485	31.1
337.09180	31.4
337.16376	25.1
347.14981	70.5
388.07617	20.1
393.15546	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	429.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.2
57.07062	29.6
60.08146	21.3
67.05476	16.8
69.03416	32.2
69.07038	41.2
70.06582	78.0
72.08139	19.9
77.79192	15.0
79.05506	30.7
81.07056	32.0
83.04939	20.4
84.86974	14.5
85.02898	55.0
85.06541	16.9
86.09716	100.0
91.05466	46.4
93.07040	64.5
95.08582	21.2
97.02912	28.9
101.75262	17.5
104.10734	96.4
105.07019	39.2
107.08577	22.2
111.04425	27.3
117.06951	17.6
119.08590	32.8
120.08056	19.2
121.10129	28.8
130.05103	18.2
131.08583	27.3
133.10170	22.5
135.08058	16.5
136.06204	24.2
137.05893	20.5
143.08548	21.5
145.10156	27.8
147.04433	31.5
147.07986	19.5
149.09601	24.4
175.11269	28.7
184.07336	65.6
185.07739	24.7
189.09166	18.6
203.10699	20.5
227.10690	20.6
231.13875	30.9
249.15012	18.6
337.16202	21.6
347.15036	61.7
365.16010	55.3
375.14450	44.0
429.21338	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85537	9.7
56.03690	10.2
57.07069	100.0
67.05474	16.5
69.07053	15.2
70.66820	11.3
79.05477	18.7
81.07028	55.9
85.06538	32.2
89.82729	13.4
91.05468	38.4
93.07033	19.1
95.08585	21.8
104.41893	11.9
105.07069	18.7
106.00417	13.7
107.04985	16.5
109.06517	82.1
119.08559	22.7
121.06513	16.4
128.06119	15.5
133.02875	21.8
136.85910	14.8
137.05957	38.4
147.08018	25.1
149.09665	21.1
153.05510	33.1
159.50092	12.6
163.03848	34.2
175.07545	16.0
224.14574	15.6
226.98352	14.5
231.13844	60.3
233.15413	39.6
263.51230	15.7
289.36075	15.1
309.11179	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75959	1.4
65.42928	1.6
71.00896	1.6
80.14327	1.6
81.95331	1.6
91.05461	3.5
91.70998	1.8
93.06544	1.7
93.07078	6.6
95.04978	2.2
96.23457	2.0
97.47998	1.6
103.05506	4.4
107.18888	1.7
107.84430	1.8
115.58028	2.0
121.06496	100.0
136.06194	5.1
166.12260	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	429.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23466	1.8
52.60122	1.9
53.29298	1.6
63.68569	1.5
68.24660	1.7
69.03414	3.1
69.25435	1.7
70.06581	11.1
72.08144	3.1
74.66584	1.6
80.49567	1.8
84.04488	3.0
84.08122	3.2
85.02892	2.6
86.09686	7.8
97.00494	1.8
97.89648	1.8
98.34748	1.7
116.07047	2.2
177.51396	2.2
231.13861	2.8
429.15778	3.4
429.20932	100.0
430.20874	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	429.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76258	1.4
57.61612	1.4
62.15303	1.7
68.83353	1.4
69.03428	1.9
70.06583	32.9
72.08138	4.7
72.89019	1.4
79.71085	1.4
84.04501	2.9
84.08135	3.7
86.09692	7.0
88.61052	1.8
91.31635	1.9
113.72588	1.7
116.07118	2.2
137.06078	1.8
137.18642	1.8
187.10764	7.4
197.12830	1.9
251.64433	2.2
279.71964	1.9
337.51184	2.3
375.79019	2.3
429.20938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10173	2.2
50.96428	1.8
63.53458	2.0
67.23327	2.1
70.06576	19.0
72.08169	3.7
82.04405	2.4
84.04512	4.3
84.08144	2.8
85.02859	2.1
86.09712	9.9
91.05501	2.9
121.00917	2.4
131.23491	2.2
138.75055	2.6
223.73933	2.8
231.13625	2.7
248.30127	3.1
273.13177	2.8
292.63339	2.9
353.77197	2.6
389.88303	3.1
394.17731	3.5
411.19833	21.8
429.21042	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	429.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10173	2.2
50.96428	1.8
63.53458	2.0
67.23327	2.1
70.06576	19.0
72.08169	3.7
82.04405	2.4
84.04512	4.3
84.08144	2.8
85.02859	2.1
86.09712	9.9
91.05501	2.9
121.00917	2.4
131.23491	2.2
138.75055	2.6
223.73933	2.8
231.13625	2.7
248.30127	3.1
273.13177	2.8
292.63339	2.9
353.77197	2.6
389.88303	3.1
394.17731	3.5
411.19833	21.8
429.21042	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	429.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09484	2.6
51.51173	2.5
57.15194	2.9
63.23738	2.8
67.05515	7.2
69.03411	4.2
70.54627	3.1
79.05500	5.8
81.07051	8.8
85.02920	3.9
91.05467	11.9
93.07033	12.3
95.04941	7.1
95.08607	10.6
103.05432	3.2
105.07021	23.2
109.06480	3.9
111.08044	3.9
117.07043	5.9
119.08574	100.0
121.06514	8.5
126.29878	3.2
128.06186	3.7
133.10103	8.5
137.06084	3.8
138.53218	3.5
143.08559	5.0
155.08492	3.5
180.09285	4.4
185.13274	9.7
195.11699	8.5
203.14363	5.7
208.63722	3.8
213.12778	15.6
231.13797	12.5
248.87955	3.5
442.87073	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	429.2787
Annotation	4,4'-Diapolycopenedial
Peak:m/z	Relative Intensity
50.09432	5.1
50.57876	4.4
57.07058	28.2
58.47888	4.8
67.05490	16.0
68.00083	5.4
79.05485	12.7
81.07046	21.7
85.06516	15.2
91.05466	17.5
93.07031	10.3
95.04949	17.6
95.08602	26.0
95.93729	5.1
97.37581	5.6
99.81202	6.8
103.71800	7.3
105.07029	18.0
107.08563	7.6
119.08553	19.9
125.09595	14.6
128.06198	7.0
129.06989	13.2
131.08572	15.9
133.10150	6.5
137.09547	8.6
143.08543	19.7
151.11229	8.6
155.08627	8.5
157.10150	29.3
159.07945	8.8
167.08510	9.6
169.10071	9.5
179.08598	6.8
181.10222	9.7
181.78807	7.5
183.11710	7.6
185.09637	7.9
193.10193	9.9
195.11700	11.9
209.13289	9.4
210.66820	6.3
218.38864	6.9
221.13402	9.8
237.16397	7.6
251.14456	8.7
251.18195	6.7
279.17392	10.4
317.18982	7.6
320.97510	9.0
345.21924	7.5
371.23395	13.6
374.08835	8.0
401.24631	11.2
429.27487	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
63.21051	2.8
63.92204	2.7
69.57690	2.8
74.07574	2.8
87.65694	3.2
91.71671	3.7
109.41209	3.0
127.38566	3.3
184.29449	3.7
231.74672	4.0
315.65552	3.9
315.85736	3.9
429.31821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3725
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
Peak:m/z	Relative Intensity
50.06882	2.9
55.05495	7.6
57.07064	12.1
57.88165	3.6
64.73680	3.2
67.05492	9.1
69.07066	20.2
71.08617	7.6
81.07053	43.1
83.08617	11.7
85.10145	7.7
90.08018	4.0
91.05486	6.7
93.07036	11.7
94.25854	4.5
95.08584	40.8
97.06481	3.5
97.10169	6.7
97.23775	3.5
105.07064	9.6
107.08598	14.0
107.76798	3.9
109.10139	10.6
111.11733	6.1
119.08563	7.1
121.06521	5.4
121.10152	9.8
123.11749	6.1
125.05975	4.9
131.08588	7.4
131.41895	4.2
135.11668	10.3
140.85391	4.5
145.10117	7.1
147.11717	7.3
157.10100	7.6
159.11690	12.1
161.09712	5.7
175.11209	10.2
177.12828	4.2
220.45222	4.6
246.53047	4.1
277.90051	4.2
300.71097	5.6
411.36188	16.0
429.31561	11.2
429.37180	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3725
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.24066	9.7
57.07064	26.2
64.85917	9.5
71.08640	21.8
75.77791	9.2
80.87041	10.9
101.84815	10.7
104.16975	11.2
125.32047	10.5
131.90744	13.7
142.06091	10.2
149.09705	24.0
163.11044	17.8
165.09096	100.0
191.10802	13.5
194.03024	10.9
214.66528	12.1
219.14037	13.2
222.95396	12.3
314.93265	13.9
411.36325	13.7
429.31589	42.9
429.37250	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	430.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47147	3.1
57.07059	12.8
58.99577	21.1
74.00649	11.8
75.50099	3.3
76.02225	56.7
80.99461	3.5
84.08120	4.1
85.02897	4.5
86.99051	8.4
91.05464	34.4
93.07023	12.3
94.91422	3.9
100.02206	4.9
102.73563	3.8
105.00085	9.3
105.07018	19.4
107.08596	7.9
116.06262	6.8
117.07015	7.4
118.22234	4.1
119.08576	29.2
121.06491	3.8
121.10166	12.9
121.40022	3.4
122.02726	48.8
125.15604	3.7
129.06999	10.4
131.08569	55.5
133.10121	10.7
135.04433	8.1
135.08017	5.4
140.70734	3.6
145.10107	6.0
147.08041	49.0
149.09615	96.5
149.10797	5.8
150.07785	6.3
152.50554	3.6
157.06418	4.1
159.08075	30.1
161.06021	5.2
161.09627	11.9
165.09102	7.9
173.09669	5.4
175.07539	93.0
176.08339	4.2
177.09102	100.0
177.10625	7.4
187.07553	4.6
193.08649	11.7
203.06985	20.5
205.08545	30.4
219.10190	6.7
221.08078	62.6
229.08755	4.6
231.06508	4.6
249.07536	28.7
267.08530	37.6
309.09634	91.5
326.12341	4.7
350.12366	8.0
366.10098	4.5
384.11258	16.5
430.11621	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	430.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07627	0.3
50.35400	0.3
51.05718	0.3
69.03420	1.2
71.44407	0.4
73.02907	0.7
73.25467	0.4
85.02901	1.4
94.04066	0.7
97.02866	0.7
119.03520	0.8
131.12956	0.4
133.05058	0.5
136.06183	100.0
137.04527	0.5
183.87231	0.4
268.10434	3.2
298.11349	0.9
330.29623	0.4
430.15677	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	430.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	15.6
55.05497	18.9
55.18983	13.9
57.03408	16.1
57.07070	44.5
59.04995	14.8
67.05512	19.8
69.07049	23.3
70.49787	18.0
80.89544	16.0
81.07052	32.3
83.08605	21.8
84.92683	14.9
93.07018	23.3
95.08623	18.1
97.10153	19.6
105.07013	19.2
107.85036	14.8
133.06540	27.8
139.50063	19.3
267.13657	23.2
287.05389	39.7
321.16995	44.3
331.15375	67.9
339.50482	20.0
349.16287	40.0
377.15524	28.9
395.16904	100.0
413.18039	62.9
430.20404	41.8
431.12973	35.6
436.19952	38.5
454.20895	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	430.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97476	3.6
57.07075	24.3
67.05505	6.1
83.08585	4.7
85.02924	5.2
90.49373	4.0
91.05466	7.2
91.70991	9.5
95.08598	20.7
96.72025	4.2
99.54569	4.8
104.72142	4.6
105.07009	4.7
113.09641	8.7
117.07031	6.0
131.08604	8.3
131.92061	4.7
137.05965	7.0
141.16591	4.7
143.08487	5.9
145.06519	8.5
145.10126	6.8
155.08578	11.5
158.62604	4.8
159.08026	6.9
173.06033	6.2
173.09641	11.2
180.70421	5.7
191.06987	4.6
195.08076	4.9
201.05586	8.8
201.09125	11.1
211.07602	6.6
213.12781	13.8
219.06604	6.8
229.08623	12.6
247.06137	7.4
247.09604	5.9
257.08127	10.4
257.15378	19.4
259.13351	9.5
275.05493	6.7
275.09192	6.3
277.14334	9.3
285.14722	7.3
297.16077	6.5
303.08670	5.7
303.15768	11.1
317.90521	5.5
321.09872	5.3
321.16965	20.9
331.15463	14.3
339.18015	7.8
377.15961	100.0
383.26019	5.2
395.17026	54.4
413.17929	21.5
430.20911	10.0
432.79910	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	430.207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20045	14.0
55.05500	24.8
57.07064	46.4
85.64826	18.3
91.71049	25.7
93.07034	42.4
97.02834	18.9
105.07041	31.1
119.08591	32.0
125.41386	17.9
140.74243	17.9
151.07582	69.7
173.09695	27.7
195.11720	19.9
216.41849	19.8
331.15393	69.4
349.16571	38.2
359.14801	30.9
386.61203	21.9
395.16937	100.0
413.18124	83.4
436.19315	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	430.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91935	2.8
55.05513	2.6
57.07075	22.7
60.50428	2.6
67.05495	7.0
71.28464	2.9
83.08649	4.2
91.05448	3.7
95.08576	25.2
102.19052	2.8
105.07051	4.1
111.04518	4.3
113.09682	3.6
119.08598	4.1
139.42378	3.4
145.06520	4.1
145.10141	3.2
147.08035	3.5
155.08562	6.5
155.49263	3.4
159.08095	8.0
171.08109	3.8
173.06099	4.4
173.09694	7.5
175.07619	3.4
175.11104	3.5
183.08081	7.4
187.07530	3.5
191.06976	4.4
201.05421	4.8
201.09175	14.0
203.07097	5.9
211.07565	9.1
213.12805	7.1
215.14290	6.7
217.08720	3.8
229.05051	4.4
229.08649	12.3
229.15771	4.8
247.06010	7.8
247.09764	6.0
257.08182	9.3
257.15271	16.4
259.13339	10.7
263.97220	4.0
275.05594	18.1
275.08868	4.5
275.16464	8.1
277.14337	7.2
285.14774	7.6
303.08621	5.1
303.15814	8.0
321.16873	18.1
331.15530	10.5
342.06522	3.5
367.17786	6.5
377.15942	100.0
378.15723	3.9
395.17065	36.8
417.62183	3.8
430.20651	9.4
431.18826	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41343	7.5
57.07067	23.8
60.96534	10.0
63.41996	7.7
67.05495	11.8
69.03407	11.5
72.08143	11.0
75.34494	8.6
81.07020	9.9
83.01306	13.6
86.09692	17.9
88.06595	10.5
91.05475	9.6
93.07023	14.9
95.08600	25.3
97.10118	9.2
119.08511	10.9
121.10165	13.3
124.54182	10.0
124.79163	12.4
137.06024	15.8
145.06551	12.6
149.05998	12.6
155.08575	15.4
159.11685	12.0
173.09627	12.0
183.08067	16.2
186.26717	12.6
246.92418	13.6
247.09566	15.5
293.10364	11.7
303.15900	16.4
321.16821	15.1
331.15469	23.2
349.16415	71.8
359.14905	15.5
377.15939	35.8
395.16870	22.4
413.18030	100.0
430.20752	18.1
431.18875	12.5
454.20605	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	430.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01884	7.8
52.02130	7.8
53.72696	7.2
55.57822	7.6
57.07058	24.2
59.60920	9.2
71.07108	8.2
77.10214	9.8
79.05496	10.1
95.04956	15.1
95.08603	11.0
105.07030	31.1
106.07393	10.2
107.08591	15.6
117.07017	12.2
118.63041	9.8
119.08566	16.8
121.06455	11.0
133.10120	9.1
159.11716	13.0
165.09091	13.0
175.07452	11.8
179.64653	10.8
203.76891	12.9
270.20248	11.1
275.16519	12.3
319.15506	29.3
349.16458	54.6
395.17023	15.8
413.18002	100.0
430.20822	21.8
431.19116	42.6
449.82715	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	430.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63551	2.2
55.05501	6.9
57.07063	5.5
67.05495	5.0
69.03413	3.9
69.07050	10.6
70.06566	4.1
77.84212	2.5
79.05482	4.5
79.58928	2.6
81.07027	4.3
84.79264	2.3
85.02914	5.7
91.05468	5.3
93.07050	8.2
95.08602	3.3
105.07030	7.8
107.05023	3.0
107.08588	8.4
119.08555	3.2
121.10133	5.9
123.08099	5.3
125.06017	2.8
129.14821	2.6
131.08598	4.4
140.73853	2.7
147.08038	2.9
149.09607	100.0
157.10136	3.3
161.09608	6.6
166.04355	2.7
177.09085	4.1
179.10655	2.9
209.09970	2.8
233.11952	4.3
233.15340	64.2
237.60626	3.0
321.16824	3.8
331.15384	8.8
349.16409	6.6
359.14740	3.7
377.15863	4.7
395.16959	11.7
413.18045	5.7
430.20331	4.1
436.19635	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	430.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07046	3.5
73.48184	3.9
77.00586	7.9
89.06028	11.3
91.05799	5.0
91.71610	7.8
95.01622	42.9
96.52916	3.2
114.07372	6.1
118.03202	73.5
121.03131	4.3
130.08665	6.0
133.08604	6.1
144.04778	4.4
145.06790	16.5
147.04675	21.4
189.09430	6.9
191.07146	6.8
233.12022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.0
55.37627	1.3
69.57461	1.7
70.06577	7.6
71.89304	1.7
72.08147	75.0
84.04501	30.0
84.08137	10.3
84.92220	1.7
86.09702	100.0
98.98466	2.8
101.07134	7.0
109.53924	1.6
129.10254	7.0
130.05005	53.4
131.11806	2.2
137.03627	1.7
138.09180	2.0
143.11797	38.6
147.07649	75.3
171.11261	24.5
175.03685	2.1
182.13010	2.1
183.11227	2.6
192.01213	2.2
204.15987	1.8
222.00153	2.0
239.17479	4.9
243.13580	5.5
252.32550	1.8
260.16040	55.3
271.36017	2.1
284.19766	8.0
431.13177	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	430.28
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60781	2.8
53.03931	4.9
55.01873	24.2
55.05497	14.1
57.03439	5.5
67.05499	44.8
69.03424	40.7
69.07059	6.8
69.85036	3.1
70.96147	3.0
71.04974	12.9
73.02903	7.2
73.10439	3.1
79.05479	34.3
81.03411	42.4
81.07060	35.8
83.08640	3.3
83.19041	3.6
85.02886	12.8
88.97646	3.5
91.05467	15.7
91.71342	24.0
91.71846	2.9
93.07046	41.6
94.95280	3.9
95.04947	6.2
95.08605	26.3
97.02897	45.1
97.51641	3.2
99.04443	69.5
105.07017	12.9
107.08578	11.6
109.02883	34.6
109.10168	16.7
111.04441	6.4
117.06952	3.9
119.08598	10.6
121.10153	31.5
123.11688	9.8
127.03911	100.0
127.49184	3.7
131.08568	7.2
133.10135	8.8
135.11674	13.6
145.03961	3.8
145.05022	11.9
145.10150	8.6
149.13232	5.5
159.11676	8.0
173.13303	5.7
203.80080	4.1
207.16241	3.6
215.18021	5.5
233.18999	9.6
249.18593	5.5
273.67032	3.8
391.07135	4.2
395.24414	17.1
438.52228	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	430.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79419	20.3
55.05502	26.8
55.48554	19.6
58.06596	24.9
67.05486	84.7
70.06580	78.2
71.17870	22.5
79.05494	60.7
81.07048	44.3
82.06541	35.9
91.05463	25.0
93.07009	29.2
94.06576	59.3
95.08576	47.9
96.08152	32.2
96.91881	24.2
97.08287	23.8
105.07005	31.4
106.06489	26.6
107.04913	48.9
121.06535	38.3
126.12801	40.6
133.06514	43.3
145.06465	44.3
147.08029	42.1
151.03882	33.0
157.06459	29.8
166.15851	34.6
173.37440	26.5
180.81200	28.3
189.45978	34.2
231.20354	33.7
345.59247	30.8
346.84494	31.9
370.86719	30.0
383.58673	29.8
394.27347	49.4
412.28152	47.7
430.29437	100.0
433.81888	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	430.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05633	3.6
55.05494	8.7
56.05012	14.7
57.84023	4.3
58.06594	7.0
60.04514	52.3
62.16296	4.4
67.05495	25.3
69.07047	16.6
70.06588	37.8
72.08142	4.0
72.68528	4.9
76.85155	4.8
79.05507	6.7
81.07043	25.0
83.08604	9.0
84.08108	4.6
89.07140	16.3
91.05489	7.3
93.07030	8.0
95.08584	24.4
97.10121	4.1
98.09666	5.8
101.01872	4.7
109.10139	5.5
117.05264	5.1
120.30229	4.5
123.37401	6.1
147.04425	10.0
155.03374	5.6
156.99295	4.8
178.20065	5.0
206.34648	5.1
236.23724	6.6
249.19714	6.2
250.25345	16.1
252.26825	10.8
262.25308	15.7
280.26291	30.2
287.05545	23.1
292.26376	11.2
298.27362	100.0
308.29465	6.7
311.68307	5.1
325.31967	11.7
351.29977	20.3
386.33737	40.0
430.32733	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	431.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34186	11.1
56.98010	9.5
63.29915	10.8
70.06560	14.1
71.54955	11.6
80.20817	11.1
85.30209	10.9
98.98529	13.4
103.41612	12.7
117.18640	11.3
137.05968	89.8
139.93129	12.8
149.94284	13.1
153.48088	16.3
155.97458	19.3
192.07095	13.5
194.97429	26.7
208.98944	15.3
217.98997	21.6
251.00044	24.6
313.70197	13.7
348.88580	14.7
350.33002	13.0
353.03119	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
64.90577	4.7
71.14705	4.5
82.49209	4.4
92.72656	4.6
94.95499	5.2
107.70110	4.2
130.16418	5.4
206.19281	4.8
238.40025	5.8
258.91144	4.9
287.93719	6.4
313.01895	5.1
361.28058	5.5
431.13034	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98278	8.8
57.11007	8.7
79.27974	11.4
101.28926	12.5
118.08288	11.6
143.50929	11.6
147.72525	14.0
180.61607	12.0
216.59332	12.6
268.40283	15.2
302.79593	13.1
323.66345	14.5
431.12921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	26.6
64.97762	5.0
68.43675	4.7
93.45158	5.0
98.96298	5.7
98.97568	75.9
116.98612	27.3
134.99698	8.7
140.00185	46.1
152.00174	7.1
158.01276	17.5
158.99725	17.3
177.00755	9.8
181.02859	20.5
200.02412	22.2
205.19946	5.5
205.25378	6.6
220.72778	5.9
237.02948	13.3
242.03436	7.7
247.41211	6.3
260.04623	6.0
269.10690	14.2
271.82733	6.3
292.12311	22.3
298.55200	6.1
328.44263	5.8
371.13998	15.3
389.14865	31.3
412.16269	56.2
431.16010	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	19.8
83.95204	5.3
84.04522	8.9
85.02942	5.1
85.77131	4.9
91.71687	6.6
98.97572	73.9
103.05394	6.0
106.47728	5.0
116.98620	37.8
124.30494	5.0
128.98586	7.4
130.05032	5.5
134.99643	12.2
140.00185	62.4
143.70988	4.8
146.99745	6.5
152.00217	8.0
158.01288	21.5
158.99686	19.7
163.11397	5.2
164.06946	8.5
170.01263	7.5
177.00696	14.2
181.02849	16.8
200.02274	33.1
219.01849	9.3
223.06671	5.2
224.02263	6.2
237.03011	8.3
242.03430	9.7
260.04514	6.1
269.10617	16.1
283.06039	11.4
292.12225	28.1
310.13504	7.8
371.13934	16.2
382.12552	6.6
389.14786	44.2
412.16345	66.5
431.16028	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	19.8
83.95204	5.3
84.04522	8.9
85.02942	5.1
85.77131	4.9
91.71687	6.6
98.97572	73.9
103.05394	6.0
106.47728	5.0
116.98620	37.8
124.30494	5.0
128.98586	7.4
130.05032	5.5
134.99643	12.2
140.00185	62.4
143.70988	4.8
146.99745	6.5
152.00217	8.0
158.01288	21.5
158.99686	19.7
163.11397	5.2
164.06946	8.5
170.01263	7.5
177.00696	14.2
181.02849	16.8
200.02274	33.1
219.01849	9.3
223.06671	5.2
224.02263	6.2
237.03011	8.3
242.03430	9.7
260.04514	6.1
269.10617	16.1
283.06039	11.4
292.12225	28.1
310.13504	7.8
371.13934	16.2
382.12552	6.6
389.14786	44.2
412.16345	66.5
431.16028	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76578	5.1
56.96550	18.7
67.88988	7.1
84.08104	6.7
86.60538	5.7
98.97563	100.0
105.37271	6.3
116.98608	37.0
123.31542	6.2
134.99660	16.7
140.00189	66.4
158.01248	33.6
158.99658	14.3
160.76582	5.8
177.00719	13.1
181.02837	30.7
191.49187	6.4
199.83885	5.9
200.02231	38.2
251.09554	20.4
264.56720	7.0
269.10611	13.8
292.12241	67.8
371.13895	19.3
377.36484	7.0
389.14856	18.6
412.16440	18.6
431.15646	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21640	7.8
53.67540	7.6
57.38401	7.9
62.25204	8.0
69.03406	10.4
70.27709	9.1
74.37623	10.3
124.42182	9.2
137.05963	15.5
160.09972	28.5
173.10741	13.6
189.10228	70.6
311.50046	12.3
323.15836	69.7
353.02957	13.5
408.65314	12.5
413.19449	16.5
431.13489	19.5
431.20206	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23072	1.5
50.82055	1.5
52.55426	1.7
55.05491	1.9
57.81573	1.5
69.07076	2.0
70.06592	3.4
72.08147	26.5
84.04504	7.5
86.09695	27.7
86.10132	2.4
102.05571	3.0
111.51322	1.8
143.11821	5.3
144.06602	3.4
162.07649	6.3
171.11290	4.1
261.14548	5.8
431.16684	4.9
431.22528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2276
Annotation	Celerioside A
Peak:m/z	Relative Intensity
54.04739	3.1
57.07055	4.1
57.67459	3.0
59.21948	3.4
69.03389	3.6
85.02905	5.2
89.55933	4.0
91.05474	12.7
94.83996	4.4
105.07038	8.6
119.08611	4.6
125.18217	4.0
129.06905	3.8
131.08562	100.0
133.10144	6.0
137.05899	4.0
145.10150	4.9
158.30228	3.8
165.43570	3.8
171.11751	4.7
172.77863	3.9
177.08939	8.2
187.14873	4.4
233.15356	44.5
251.16414	13.1
259.29193	4.5
262.49725	3.8
269.17407	21.8
276.09329	4.3
278.68750	4.2
391.28525	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	431.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46745	7.7
55.72463	8.5
56.34774	8.2
57.27327	8.4
57.52106	12.5
65.75103	9.8
67.05484	36.2
69.03403	12.8
79.05486	32.2
81.07049	89.8
91.05444	20.0
93.07043	100.0
95.08602	65.0
97.02898	13.5
105.07044	21.4
107.08591	47.0
109.10172	17.5
109.16707	10.3
111.04424	39.6
119.08588	33.5
121.10126	96.6
123.08046	16.7
123.11707	53.8
131.08589	26.7
133.10139	14.0
135.11713	95.6
137.05872	18.0
145.10143	27.2
147.11739	13.7
152.96690	12.1
159.11725	20.8
187.14880	34.2
203.14432	17.4
215.14337	51.0
233.15312	70.2
251.16464	60.1
267.76743	12.1
269.17493	35.3
422.00394	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	431.2426
Annotation	CJ 15544
Peak:m/z	Relative Intensity
57.07068	1.4
59.35979	1.3
77.19746	1.5
91.05476	15.0
93.07027	4.8
93.89620	1.4
102.14255	1.7
103.59212	1.4
107.04977	2.1
119.04922	25.6
120.05139	1.5
122.03644	4.1
135.04497	2.1
137.05969	100.0
147.04401	40.9
147.05516	2.8
167.07074	2.9
167.13791	1.7
179.07021	39.2
188.07092	2.3
197.08018	2.4
425.63440	2.3
431.13077	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	431.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93274	3.7
52.54366	4.0
55.05506	45.3
57.03419	12.7
57.73314	4.5
67.05185	4.7
67.05501	81.3
69.07057	49.7
79.05466	21.2
81.07053	100.0
81.07513	5.3
83.08615	31.6
87.00836	8.1
91.05465	25.0
93.07050	31.6
95.08604	70.3
97.06523	10.7
97.10152	17.7
99.08052	6.1
105.07010	17.7
107.08592	19.2
108.76481	5.6
109.10127	34.0
119.08614	10.2
121.10137	24.7
123.11710	13.9
129.23854	7.5
133.10117	15.7
135.11713	31.8
147.11627	7.6
217.19511	24.9
235.18520	6.2
235.20503	30.0
276.20053	7.7
277.21414	7.4
309.24200	8.2
321.20682	17.1
327.25284	7.5
339.21664	20.3
413.25333	15.2
431.13089	35.1
431.26416	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	431.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93274	3.7
52.54366	4.0
55.05506	45.3
57.03419	12.7
57.73314	4.5
67.05185	4.7
67.05501	81.3
69.07057	49.7
79.05466	21.2
81.07053	100.0
81.07513	5.3
83.08615	31.6
87.00836	8.1
91.05465	25.0
93.07050	31.6
95.08604	70.3
97.06523	10.7
97.10152	17.7
99.08052	6.1
105.07010	17.7
107.08592	19.2
108.76481	5.6
109.10127	34.0
119.08614	10.2
121.10137	24.7
123.11710	13.9
129.23854	7.5
133.10117	15.7
135.11713	31.8
147.11627	7.6
217.19511	24.9
235.18520	6.2
235.20503	30.0
276.20053	7.7
277.21414	7.4
309.24200	8.2
321.20682	17.1
327.25284	7.5
339.21664	20.3
413.25333	15.2
431.13089	35.1
431.26416	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	431.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	7.6
64.63222	1.9
65.03921	4.2
67.05498	54.0
69.07054	7.0
69.79759	2.1
71.04977	11.3
79.05463	14.3
81.07047	62.0
83.08612	10.2
88.96144	2.5
90.31156	2.3
91.05474	18.0
93.07037	22.8
95.04974	3.1
95.08597	56.0
97.06549	2.8
97.10168	3.7
107.08595	10.7
109.10143	18.1
113.09656	2.8
119.04936	26.8
121.10161	32.3
123.11702	6.0
133.10107	2.7
135.11693	38.0
147.03215	5.2
147.04399	100.0
149.13264	4.5
165.05447	24.6
189.67548	2.6
217.19501	3.9
226.63925	2.4
235.20583	7.2
267.23260	3.4
313.09198	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	431.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	11.8
67.05495	50.2
67.06628	3.1
68.26854	3.8
69.07053	18.9
71.10912	3.2
79.05482	9.8
81.07049	68.5
83.08607	10.2
87.70522	3.5
89.03895	11.1
93.07022	13.1
95.08595	44.0
97.10179	6.7
107.08582	4.0
109.10134	16.8
117.03394	16.2
121.10143	16.4
123.11709	12.8
133.10014	4.7
135.11699	11.3
137.13303	7.4
145.02826	38.3
149.06032	11.5
149.13286	7.2
177.05463	100.0
186.05498	20.8
195.06587	20.3
219.21124	6.4
224.06818	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	431.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07053	29.8
57.22578	6.3
67.05502	14.1
74.15627	6.7
79.05478	21.6
81.07037	30.1
85.25745	7.3
91.05450	9.4
93.07030	32.4
95.08595	13.3
105.07027	28.5
107.04958	10.2
107.08559	12.4
119.08569	19.0
129.06963	16.0
131.08597	14.5
133.10136	19.3
135.11748	11.8
143.08452	10.4
145.10214	9.7
177.99226	8.1
183.11707	8.7
195.11766	9.1
200.23441	7.8
201.13000	8.6
229.12204	100.0
253.16014	7.9
431.29297	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2941
Annotation	laurebiphenyl
Peak:m/z	Relative Intensity
51.52197	4.5
55.99271	5.0
56.87712	5.0
57.07063	30.2
64.25735	5.5
67.05492	11.6
69.07062	6.1
75.15499	6.6
79.05458	6.5
81.07047	12.6
83.04955	6.1
84.31854	5.2
85.06489	8.4
91.05468	22.1
91.78269	5.2
93.07039	9.7
95.08584	11.2
96.96699	5.1
103.57715	5.1
105.07025	39.1
107.08591	12.2
109.10123	12.8
112.50704	4.8
117.07020	12.0
119.08569	100.0
129.06953	10.0
131.08591	12.9
133.10118	9.0
143.08614	8.2
145.10097	22.5
146.10902	6.8
147.11703	27.1
155.08516	6.9
157.10115	11.8
159.11649	17.2
169.10120	9.7
171.11732	7.0
183.11700	6.6
201.12822	6.9
247.14845	6.8
413.28055	8.9
413.99530	6.2
431.13046	9.7
431.29236	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74932	2.1
55.05494	11.2
57.07043	5.0
69.07050	9.4
83.08656	2.4
84.04494	11.6
85.02892	22.1
91.05471	6.2
102.05534	8.7
106.06561	9.0
107.07349	3.6
111.54776	2.2
117.07008	3.7
118.06522	2.7
119.07404	2.3
130.05000	100.0
130.06465	6.2
132.08076	5.0
144.08084	20.0
146.09671	4.7
148.07594	2.9
160.07541	15.4
162.09229	4.0
162.43394	2.5
165.95999	2.6
172.07513	12.7
173.08334	4.8
174.09204	13.2
186.09073	3.6
188.10690	3.1
190.08636	17.4
192.10075	3.8
196.11237	2.7
200.10770	11.8
206.08110	9.7
214.12286	9.3
218.08107	35.9
232.09668	5.7
236.09143	21.6
259.10989	3.5
260.85062	2.8
302.17554	3.5
316.18842	3.1
359.52750	2.8
368.29471	17.6
385.32196	6.2
414.29990	75.2
431.32715	36.9
443.51785	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	432.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	2.6
56.22558	2.5
58.06577	3.9
60.04513	5.6
60.58224	2.7
60.81416	2.8
62.45041	2.8
66.65396	2.6
67.05490	4.6
69.03432	18.3
70.06579	13.0
71.04993	2.7
71.40376	3.0
72.08147	39.9
74.06062	10.8
74.09686	3.0
79.05469	3.0
82.06570	26.8
84.04508	9.2
84.08136	4.2
85.02850	3.5
86.09710	24.6
87.05604	3.0
91.05478	3.0
93.05771	4.2
98.06010	3.6
98.09682	9.3
100.07614	71.2
100.08231	5.2
108.08125	8.3
109.02861	3.7
110.07143	6.7
116.07047	3.7
117.00965	3.1
126.09151	100.0
127.03909	4.8
131.14230	3.2
138.09135	6.4
139.03970	4.5
163.03903	9.1
169.88567	3.1
175.03889	60.9
177.05455	7.1
215.07066	6.4
233.08083	9.4
260.15268	3.3
264.12292	42.2
343.08170	8.0
408.91342	3.7
431.22711	4.5
432.16541	96.3
432.22855	19.2
433.16809	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	432.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01854	3.2
57.07042	3.6
59.97110	3.3
61.02917	4.4
64.68790	3.0
69.03413	16.8
71.04979	5.2
75.00188	3.7
77.74845	3.1
81.03415	15.6
85.02899	99.3
85.03427	5.0
89.42534	3.2
89.53687	3.4
91.05470	53.7
97.02884	30.9
99.04453	45.0
103.03934	88.9
109.02862	19.9
127.03910	100.0
135.43443	3.5
145.04959	51.6
163.05995	45.3
186.07640	5.3
187.06018	6.4
205.07121	11.5
217.08554	6.3
225.74837	4.1
271.08221	6.7
289.09195	6.0
307.10153	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	432.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20685	4.2
55.05505	10.2
56.05034	11.6
56.82333	4.3
58.99588	12.4
65.91982	4.9
67.05185	7.2
67.05501	42.3
69.07057	7.0
70.53009	5.7
76.02202	10.0
79.05495	6.4
80.66769	5.8
81.07052	48.3
81.72717	4.9
82.06567	5.9
83.08605	8.3
86.00645	9.5
87.02676	6.9
88.02177	8.9
88.04040	6.3
91.05458	10.4
93.07030	19.0
95.08593	39.8
95.38428	5.4
97.01087	10.0
105.07030	9.5
105.51074	5.1
107.08553	10.7
109.10184	17.1
113.04208	10.7
117.32375	5.3
121.10142	16.8
126.60112	5.3
132.01170	7.1
133.10170	8.9
147.11644	6.4
154.74704	5.9
195.74115	5.8
243.04242	6.6
250.21722	8.9
297.22833	7.2
306.45294	6.5
308.20169	8.7
326.21613	8.1
354.21292	8.0
372.22003	100.0
432.13483	8.4
432.24075	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30012	10.0
56.96547	10.2
82.38058	12.6
85.74493	11.8
89.06038	100.0
123.32307	13.1
130.08678	18.7
130.95644	15.9
133.08583	82.0
214.92778	14.7
242.97083	14.7
247.73557	15.8
253.10834	15.1
253.26341	14.1
415.25577	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	432.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	39.1
56.05010	7.9
57.03433	7.9
58.02935	10.6
58.06590	17.6
67.05493	40.0
69.07047	25.1
70.06583	95.9
71.04984	9.4
79.05486	10.8
81.07056	37.7
81.77998	7.2
82.06557	8.2
83.08604	10.1
84.45755	7.2
87.84851	6.9
91.05489	11.6
93.07030	19.6
94.06580	7.2
95.08599	56.3
96.08111	8.2
105.07027	9.5
107.04956	19.3
107.08615	8.2
109.10159	8.5
112.11237	46.9
119.08540	9.9
122.06024	19.3
131.04947	9.2
133.06508	14.6
136.03958	9.7
145.06459	20.0
147.07994	11.8
148.03952	31.3
150.35976	6.8
151.03914	10.7
159.08095	9.6
161.05974	12.0
166.04878	9.0
178.04950	10.1
196.06116	14.2
197.09671	8.8
239.68306	9.1
247.48126	7.5
328.22571	37.6
372.29001	27.8
390.30045	33.1
390.76266	9.0
396.28848	12.0
414.29980	53.5
432.31107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
57.03431	4.5
68.58361	0.6
71.04980	33.3
75.04451	1.9
75.15497	0.6
81.03367	0.9
85.02892	29.6
90.49137	0.6
98.06042	0.9
111.00771	1.2
121.02854	3.8
129.05479	3.8
133.02869	0.7
137.02280	1.2
147.04393	0.9
153.01790	4.6
165.01833	2.2
183.02849	1.6
213.05421	1.3
222.09291	0.7
241.04982	0.7
243.43930	0.7
257.61151	0.7
258.05099	1.0
287.05460	100.0
288.05701	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.113
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
50.96421	1.2
54.17021	1.2
55.96144	1.3
57.03421	5.7
69.07059	2.2
71.04614	2.4
71.04984	45.8
74.09697	1.3
85.02426	3.1
85.02896	40.5
86.18419	1.5
90.84944	1.7
107.08594	2.3
111.04430	1.7
111.08092	1.7
119.08571	1.9
121.02866	3.8
121.10166	1.8
129.05470	6.0
136.23587	1.8
136.59894	1.6
151.04239	1.6
153.01837	4.8
165.01823	1.8
213.05516	2.1
235.16997	2.5
253.18143	2.3
287.05457	100.0
307.42288	2.1
391.56573	2.0
433.14725	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
57.03397	1.4
67.01854	0.8
69.03407	1.1
69.72119	0.7
70.06583	1.2
71.04604	0.8
71.04979	11.4
85.02895	10.1
91.05437	0.7
95.04939	0.5
119.04907	3.2
120.57640	0.5
121.02872	2.5
129.05420	2.0
145.02821	0.6
153.01816	6.0
165.01859	0.5
171.02856	1.0
187.03859	0.5
192.61528	0.5
193.12572	0.5
224.16791	0.5
241.04881	0.6
271.05981	100.0
272.06390	1.7
287.05469	22.8
298.33548	0.6
299.05438	1.6
311.05298	0.6
325.06818	0.7
329.06473	2.4
353.06644	0.7
397.09195	1.6
415.10388	0.8
433.11072	1.5
437.19849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
55.05507	1.3
57.03415	5.0
61.02945	1.5
67.05516	1.3
69.03426	2.7
70.06575	3.5
70.41068	1.0
71.04982	40.6
71.55269	1.1
72.08144	4.3
75.04501	1.6
79.89320	1.3
81.03402	2.4
81.07041	1.4
82.28772	1.1
85.02896	45.8
86.09702	4.3
91.05490	5.0
91.71040	1.4
95.47614	1.1
97.02876	4.0
99.04447	5.5
103.03925	9.3
108.01143	1.3
109.02861	1.8
113.06162	1.2
121.02840	1.8
121.79179	1.2
127.03942	9.8
128.04201	2.3
129.05469	7.9
140.70671	1.3
142.23245	1.2
142.24553	1.4
145.04948	4.9
153.01805	4.4
163.06039	5.0
165.01755	2.4
287.05469	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.183
Annotation	Tyr Asn His
Peak:m/z	Relative Intensity
57.07047	2.1
76.65765	1.9
91.18686	1.7
91.46519	1.8
107.08575	3.4
129.38106	1.5
137.06006	2.8
172.82910	2.2
207.17429	2.3
295.24832	2.0
433.18317	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	1.0
58.06583	2.7
66.25662	0.7
69.87527	0.7
70.06583	1.2
72.08150	7.8
74.06060	1.3
84.04491	2.3
84.08134	100.0
85.08493	0.9
86.09702	7.1
94.27274	0.7
102.05551	1.0
103.13759	0.7
108.08137	1.4
127.11366	1.9
127.12311	37.1
136.07529	0.9
138.73380	0.8
139.03891	3.4
148.06076	0.9
151.03900	2.6
159.11307	1.3
163.07584	0.7
187.10797	1.3
191.07042	4.2
193.08646	1.2
196.06946	0.9
222.11357	1.5
247.12886	1.1
280.51096	0.8
370.70764	1.1
386.61002	0.9
425.22989	0.8
433.19714	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	433.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53299	9.7
55.26377	9.2
57.75272	10.2
67.05479	35.4
69.03420	22.5
69.07034	10.4
70.06579	10.1
71.04958	11.4
72.08148	13.0
74.06084	9.9
79.05493	22.7
81.03373	11.3
81.07031	41.4
81.47181	11.7
83.04949	15.8
84.04499	28.6
84.08125	72.0
85.02884	96.3
86.09694	30.1
91.05471	31.0
93.07023	100.0
95.04937	21.4
95.08587	72.7
99.04459	14.9
102.05516	18.1
105.07018	13.5
107.08604	51.9
109.10154	40.3
119.08541	36.9
121.06562	10.1
121.10134	16.7
127.03924	18.7
127.12325	21.6
131.08554	14.2
135.08092	43.2
137.09636	24.4
145.04933	16.7
148.05957	12.1
157.10091	30.7
175.03696	12.3
175.11221	18.6
185.08263	15.5
199.11316	20.3
209.11682	16.3
217.12257	45.2
229.07303	10.7
235.13264	38.7
253.14458	35.7
271.15295	14.9
326.50082	13.1
354.28326	11.4
355.78061	12.0
433.14767	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57198	1.8
52.77207	1.8
53.62281	1.8
55.05488	8.1
57.05772	2.4
60.04517	56.2
62.65791	1.8
67.05495	3.2
69.03417	3.5
69.98938	2.2
70.06600	4.4
72.07736	5.0
72.08144	100.0
82.06565	9.6
85.02903	3.4
85.03973	2.0
86.09702	52.5
87.05514	2.4
87.10017	3.3
88.03982	12.9
91.71619	2.4
96.08137	2.6
98.02403	6.3
99.09201	2.6
107.04932	3.1
124.07571	4.7
127.08690	17.6
128.07112	4.9
132.10204	33.5
142.08626	37.4
145.14230	2.4
169.09755	6.3
170.08177	2.9
173.12836	21.3
187.10768	90.2
195.18947	2.6
201.12346	7.9
215.10286	27.0
219.13374	84.0
271.06012	3.3
276.89203	2.4
302.13501	8.8
309.88400	2.5
334.36060	2.5
353.86703	2.5
355.22046	2.5
454.07050	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	433.243
Annotation	Dictamnoside A
Peak:m/z	Relative Intensity
51.21088	4.7
54.71688	4.6
55.05499	15.3
60.39518	4.8
67.05488	31.8
69.07059	9.1
71.04984	10.7
79.05489	19.5
80.72861	5.3
81.07045	66.3
83.04999	6.5
83.08601	16.4
85.06512	8.1
91.05470	26.3
93.07033	100.0
95.04968	8.3
95.08595	53.2
99.04439	7.2
99.08058	5.0
105.07022	42.1
107.08584	34.4
109.06512	6.4
109.10159	13.8
111.08088	32.2
119.08561	32.4
121.10151	40.4
123.08031	11.1
123.11710	7.2
125.09669	8.8
129.09097	18.9
133.10100	33.8
145.10149	7.8
147.11713	17.5
149.09685	5.9
159.11641	15.6
161.13235	62.1
167.10835	6.7
178.02669	6.8
184.50298	7.1
189.16377	16.4
199.14853	16.6
205.15904	21.6
209.15263	9.5
215.68692	6.4
217.15910	40.4
223.16951	12.0
235.16888	91.0
253.17935	44.7
271.18948	30.8
289.14285	6.8
311.93936	6.1
433.24094	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	433.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33898	1.8
52.98680	1.7
55.05493	8.4
57.07053	3.5
65.27291	2.0
67.05499	38.9
68.93997	1.9
69.07052	11.4
71.08620	2.5
79.05465	8.5
81.01589	2.1
81.06605	3.5
81.07049	40.3
83.08620	11.3
87.00822	4.2
91.05474	19.6
93.07040	14.2
95.08598	37.2
96.46196	2.2
97.06519	3.7
97.10177	6.8
99.64201	2.9
105.07037	4.9
107.08587	8.5
109.10155	17.4
111.08103	3.5
119.04928	26.1
119.08543	3.0
121.10146	6.9
123.11723	4.8
125.09577	3.0
129.33081	2.5
131.08582	2.7
133.10106	7.1
135.11684	12.8
145.02806	3.5
147.04402	100.0
149.13205	4.9
151.11201	3.4
159.11644	2.6
165.05457	28.1
177.05402	14.0
192.78287	2.5
215.17941	10.9
233.18987	5.9
235.20613	2.8
237.22101	7.0
242.06979	2.8
251.20012	19.7
255.23196	7.9
281.27026	2.4
368.29977	2.9
415.26694	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.9
57.50758	2.0
60.12309	1.8
65.03952	2.7
67.05499	33.7
69.07049	2.1
79.05489	7.8
81.07048	38.5
83.08617	3.6
90.66380	2.3
91.05482	15.9
93.07046	8.7
95.08597	28.7
95.59077	2.3
97.06501	3.4
97.10162	3.9
105.07037	3.4
107.08585	2.8
109.10159	15.2
111.08131	2.4
116.29494	2.2
119.04926	29.2
119.08511	2.2
121.10152	7.5
123.11732	7.2
127.95993	3.2
133.10121	6.9
135.11682	7.8
137.09578	2.5
145.10088	3.1
147.04398	100.0
148.04797	2.9
151.11153	5.3
163.03853	3.2
165.05449	18.7
205.01874	2.7
215.17978	8.7
233.19014	5.6
243.13239	2.7
249.52147	2.9
251.20079	17.5
342.07181	2.8
373.90326	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	433.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89012	1.9
55.05494	4.5
58.91059	2.0
67.05495	31.6
69.07061	4.2
79.05491	11.1
81.07038	27.1
81.39585	2.3
83.08607	5.7
91.05013	2.9
91.05476	18.2
93.07036	14.9
95.08588	26.2
97.06512	4.9
97.10143	2.6
98.98465	3.8
105.07028	3.2
107.08617	6.2
109.10152	11.0
111.08070	2.9
111.32804	2.2
119.04932	23.7
119.56476	2.7
121.10157	11.8
123.11691	5.1
133.10149	9.1
135.11681	14.4
141.92610	2.4
147.04395	100.0
155.10532	3.0
163.03925	11.3
165.05434	19.2
215.17979	7.7
233.19034	4.9
251.20119	26.3
300.63495	3.0
307.40558	2.5
311.76312	3.2
335.25778	5.6
420.08759	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	433.2585
Annotation	Triflorestevione
Peak:m/z	Relative Intensity
50.82234	2.7
55.05496	9.1
57.03425	5.6
60.39198	2.6
65.03948	4.4
67.05495	66.1
69.07057	11.7
72.56217	3.5
75.65520	3.4
79.05473	23.3
81.07045	71.1
83.08606	4.2
91.05476	26.4
91.71296	8.0
93.07042	34.7
95.08597	62.7
97.06516	5.8
97.10109	3.5
98.98456	23.3
105.07027	8.3
107.08611	20.6
109.10145	29.4
119.04923	31.2
119.08577	6.2
121.10141	24.7
123.04415	5.1
123.11716	5.8
131.08580	9.3
133.10118	14.7
135.11679	23.2
137.09625	4.5
137.13225	5.5
145.10117	4.8
147.04402	100.0
149.13266	6.9
151.11229	6.8
159.11681	6.4
163.03844	9.3
165.05449	17.8
215.18015	12.3
233.19038	6.8
244.84061	4.2
245.99321	4.6
251.19971	22.3
261.22174	10.8
298.48843	4.3
335.25766	27.2
399.14575	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	433.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28323	0.5
56.05029	0.7
60.04519	8.7
62.39246	0.5
68.25524	0.6
69.07063	7.9
70.06579	1.2
72.08122	1.5
74.06053	0.6
77.35498	0.6
84.04497	0.8
85.02893	1.8
86.09698	100.0
87.05587	4.2
92.75488	0.7
93.07017	1.0
108.85745	0.6
110.39671	0.7
119.08470	0.7
120.06559	1.3
127.03922	3.7
127.66958	0.6
128.10725	3.9
173.12851	28.3
201.12321	16.4
206.51840	0.8
215.13937	2.3
233.14952	15.1
269.18710	0.9
271.31433	0.7
314.20795	3.0
377.60043	0.8
433.22473	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14816	1.6
51.36103	1.6
53.21733	1.6
53.84524	1.4
55.05470	2.4
58.67516	1.8
63.71065	1.8
67.05493	3.3
79.77210	2.3
81.07036	5.1
84.51919	1.8
95.08614	2.7
107.08636	2.3
115.97723	2.3
119.26524	2.0
126.20869	2.0
135.11688	2.5
147.04427	8.4
168.98427	2.3
234.23518	2.7
349.71091	2.4
373.27191	11.9
385.86496	2.4
433.29224	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.31
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	21.3
56.04342	18.5
57.07072	91.5
67.05504	23.9
67.99920	17.5
69.07052	46.0
81.07042	100.0
85.06524	28.6
89.00315	17.7
89.81603	19.3
91.05449	46.9
93.07033	36.0
95.08609	24.8
105.07024	54.6
107.08578	30.9
109.06523	19.9
109.10098	25.7
119.08585	63.4
131.08572	29.5
133.10120	20.1
143.08505	21.3
147.04355	20.1
159.11620	19.2
173.70946	18.2
175.14836	22.6
199.82837	22.2
201.16365	35.4
203.14352	22.8
225.63570	19.8
243.13789	39.9
245.15376	61.7
249.39027	20.1
251.78934	21.9
253.49995	21.0
271.16852	31.8
297.18387	29.9
299.20245	30.4
409.17081	21.2
433.31009	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75531	2.5
51.67276	2.6
51.85099	2.7
55.05295	2.7
55.05504	31.0
57.07063	7.8
59.61172	2.7
59.90807	3.1
67.05484	10.9
69.03416	6.8
69.07050	11.3
72.07225	3.4
79.05490	5.7
81.07038	24.5
83.04981	30.3
83.08603	28.1
84.34612	4.2
91.05470	18.0
93.07034	22.0
95.08614	17.1
96.14524	3.2
96.65311	3.4
102.15040	4.0
105.07026	36.1
107.08586	15.7
109.06516	4.2
109.10146	7.4
111.08078	8.6
117.07024	9.9
117.73899	3.6
119.08548	34.0
120.08900	6.1
121.06441	5.0
121.10165	17.2
123.11723	3.6
123.27926	3.6
125.50169	4.1
127.70441	3.5
129.06995	5.6
131.08560	16.1
133.10097	10.7
135.08113	6.0
143.08543	9.9
145.10143	19.4
147.04379	4.5
147.08041	4.6
157.10126	11.1
159.08090	4.1
159.11708	17.5
161.09608	7.2
171.11650	6.5
173.13252	8.9
176.92207	3.6
183.11774	3.8
187.11092	4.2
187.14757	7.4
195.11674	3.8
199.14595	4.1
201.16330	10.2
209.30070	4.1
245.15279	30.8
271.16916	4.5
273.18549	4.2
275.70334	4.0
293.18951	4.8
365.24429	5.2
377.24835	5.0
433.30908	100.0
434.31284	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	433.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70197	2.1
56.29486	2.5
57.07057	15.1
67.02415	3.1
67.05518	4.8
69.07102	4.3
76.11262	2.6
81.07043	16.2
85.06546	7.4
91.05524	13.6
93.07085	5.1
95.08648	4.3
105.07083	13.8
107.08640	4.4
109.06575	8.8
109.99107	3.1
117.07076	10.3
119.08568	100.0
130.07893	2.8
131.08591	6.2
145.10085	20.4
159.11751	6.6
173.13405	12.0
175.11282	4.2
201.12807	3.6
201.16472	4.4
239.13542	3.5
259.16953	7.2
273.18616	10.2
433.31668	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	433.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73112	5.6
55.05500	13.2
57.07074	50.7
57.07300	9.7
67.05478	21.4
67.86054	6.2
69.07037	11.6
76.80907	6.9
79.05480	24.0
81.07058	43.1
82.76054	6.4
84.03784	6.9
85.06531	17.3
90.28584	6.2
91.05480	48.7
93.07028	59.7
95.04964	12.9
95.08604	38.6
105.07024	57.8
107.08587	38.8
109.06525	10.2
109.10142	19.9
117.07022	15.3
119.08595	46.5
121.10145	17.0
129.07047	11.8
131.08543	17.6
133.10159	23.5
135.11681	7.0
143.08545	10.9
145.06552	12.2
147.11627	13.1
151.07437	9.4
157.10089	10.7
159.11699	9.6
169.10164	11.3
171.11705	19.0
175.11203	12.6
185.13286	13.2
187.11089	8.8
191.14296	76.4
195.11865	8.5
197.09821	8.9
201.12781	9.0
213.12584	17.5
215.14357	24.1
217.15891	17.1
227.14572	9.2
230.37973	9.5
241.16206	9.3
255.17404	31.6
269.19028	22.5
270.19742	12.2
415.30069	11.0
431.68506	9.1
433.31134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51225	19.4
57.07059	60.4
78.26454	22.2
79.92254	26.0
80.09554	21.2
80.90207	19.4
81.07056	48.6
90.50725	26.7
91.71043	54.4
93.07039	26.6
94.33920	24.8
97.26561	23.5
105.07023	35.0
109.33620	21.7
115.90237	25.7
119.08589	44.1
131.08632	30.6
155.01958	25.2
158.64398	27.7
163.86130	28.1
173.24513	27.6
203.14406	48.9
245.15413	100.0
246.49072	27.3
270.25558	31.5
270.58273	28.7
304.94754	29.7
342.48029	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	434.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26134	0.9
50.45046	1.2
53.00804	1.6
53.03955	0.9
55.01861	3.0
60.04511	1.7
62.22730	0.7
65.03925	1.2
69.03408	2.1
70.06243	0.9
70.06589	11.4
70.77599	0.9
72.08138	4.6
78.18867	0.9
79.05502	1.1
81.03412	1.2
83.04971	1.1
84.04488	1.7
84.08137	19.2
84.08604	2.0
85.02901	1.5
85.08464	3.1
86.09683	5.2
95.04962	3.2
97.02883	1.3
107.04959	3.1
109.02900	2.0
113.05986	3.0
116.07097	11.3
121.02899	1.7
123.04430	5.0
127.03874	1.7
127.12291	6.5
133.02858	2.3
135.04420	8.9
137.06006	1.7
139.03900	54.6
145.02853	1.1
147.04459	1.7
149.13396	1.1
151.03900	73.5
153.05470	5.9
163.03889	23.3
165.05499	3.1
169.04973	3.0
175.03935	1.9
177.05482	3.9
179.03418	2.5
181.04927	8.0
185.06053	2.1
189.05473	8.1
191.07071	2.1
193.04968	4.5
195.06586	1.3
205.05061	1.9
207.02696	1.1
213.05603	1.3
231.06636	2.1
233.08173	3.2
246.09409	1.1
255.06552	1.9
259.06067	2.5
277.07169	1.1
301.03973	1.2
301.07034	5.1
304.08975	1.3
311.31238	1.1
319.08099	100.0
320.08185	1.3
434.14575	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54673	1.0
52.11288	1.1
55.01850	2.3
63.16335	1.0
63.68306	1.2
67.05473	1.6
70.06232	2.3
70.06587	30.5
72.08138	2.5
73.37254	1.2
79.43608	1.4
80.14635	1.4
81.96365	1.2
84.08097	1.5
86.09703	2.1
87.88076	1.2
92.09366	1.4
95.04962	3.2
97.58598	1.3
99.30172	1.3
105.03450	2.3
107.04919	2.6
116.07089	40.7
121.02920	1.6
123.04402	8.1
127.03930	2.0
133.02847	4.8
135.04398	7.6
139.03902	47.2
140.00410	1.5
151.03902	100.0
153.05493	3.4
163.03896	17.1
165.05453	2.5
169.04965	6.1
177.05492	2.8
181.04930	4.3
189.05450	6.2
193.04965	3.3
209.37721	1.4
213.05579	2.8
215.48000	1.5
223.05930	1.8
233.08009	1.8
259.05869	2.2
283.06015	1.9
301.07037	3.2
309.55737	1.6
319.08102	74.7
328.20068	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	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.3
57.03423	3.3
61.02915	3.8
69.03409	7.1
70.85148	1.7
73.02903	13.0
75.37910	1.6
79.05494	2.9
82.49421	1.5
85.02888	14.8
93.07059	1.8
95.04984	1.9
97.02893	12.6
103.05393	2.0
105.07021	100.0
110.19231	1.8
110.86946	1.6
115.03933	4.6
127.03895	4.2
129.07040	2.4
133.04962	3.1
134.97470	1.7
145.04904	8.4
163.06003	1.8
222.48297	1.8
295.10110	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	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	29.9
61.02921	9.3
67.15165	3.7
69.03139	3.4
69.03424	36.3
71.01344	5.1
71.04982	5.8
72.28376	3.1
73.02906	42.3
81.03390	5.4
85.02895	100.0
85.30095	3.7
87.04438	11.5
91.03916	4.6
95.11300	3.3
97.02883	58.9
105.07025	18.2
107.29890	4.1
108.05255	3.7
109.02912	10.1
115.03915	38.0
126.06596	3.8
127.03904	31.4
128.74696	3.6
129.66739	3.4
129.77533	3.6
133.04994	13.7
145.04974	42.8
150.90678	3.7
162.20229	4.0
163.06006	11.8
175.98476	3.8
242.39418	4.4
269.07626	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	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05598	2.0
52.86429	1.9
57.03417	2.9
63.00532	2.1
69.03418	7.1
70.25630	1.7
71.60383	1.9
73.02908	14.7
80.61012	2.1
85.02903	17.0
97.02892	10.7
105.07021	100.0
115.03909	4.8
116.52946	2.1
127.03907	4.0
130.68192	2.0
133.04991	6.3
143.09784	2.1
145.04965	5.3
145.06451	2.8
163.06004	4.1
166.06699	2.1
193.08505	2.1
275.18735	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	434.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40517	1.1
55.01857	4.2
55.07920	1.0
57.03427	16.4
59.04989	1.2
61.02922	12.3
69.03419	29.9
71.01339	3.7
71.04970	2.8
73.02906	62.4
81.03404	4.9
85.02894	100.0
86.09661	1.7
87.04433	5.0
91.03947	3.4
91.89289	1.3
97.02885	50.6
99.04429	4.1
103.03915	2.4
104.53190	1.3
105.07023	23.9
109.02883	7.8
115.03917	23.8
127.03902	27.8
133.04965	25.3
145.04948	36.5
147.08000	2.2
150.07594	3.2
163.05994	16.2
201.09155	3.9
204.08635	5.5
219.10168	1.9
223.05933	3.5
241.07103	5.3
255.12421	1.5
259.08038	7.9
277.09131	1.9
285.13385	3.3
289.27240	1.4
295.10281	2.4
434.20367	1.7
450.77063	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	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.5
56.05029	2.8
57.03425	8.4
58.50265	1.5
69.03428	4.1
70.06574	8.2
70.57508	1.6
71.04977	1.7
72.08137	3.9
73.02879	1.6
75.04468	5.6
81.03374	1.9
84.04527	2.3
84.08110	3.4
84.57962	1.8
85.02894	12.9
86.09702	5.5
90.05545	2.7
91.05476	4.6
93.07041	3.3
95.04920	2.1
97.02882	7.2
100.19643	1.7
103.05457	27.8
109.02844	2.1
109.06519	2.1
110.03647	5.0
116.07086	2.8
119.04935	9.6
121.06503	6.9
123.04434	12.7
124.05210	2.7
130.04144	2.0
131.04926	100.0
137.05972	17.0
138.06740	13.8
148.05144	10.5
150.57327	1.7
151.07559	6.5
161.06017	2.7
163.07539	54.4
163.08911	2.8
166.06250	17.0
166.32364	2.0
175.07539	2.6
179.07014	4.3
181.08591	25.3
219.10028	2.6
237.11325	8.8
255.12254	37.1
255.14970	2.2
372.43942	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	434.2174
Annotation	6-Dihydroepistephamiersine 6-acetate
Peak:m/z	Relative Intensity
52.67437	1.2
58.06586	4.7
61.02907	2.0
68.48830	1.3
69.03423	5.8
73.02910	1.7
78.28511	1.5
80.16850	1.3
81.03416	1.9
83.00043	1.5
85.02892	11.9
90.79520	1.9
91.05505	2.0
91.71651	3.0
92.69656	1.7
93.07030	1.8
93.52116	1.5
95.04951	1.7
95.20270	1.5
97.02915	2.9
98.59661	1.6
104.45079	1.6
105.07024	11.1
107.04945	100.0
111.08292	1.9
119.04930	2.5
127.03058	1.5
127.03919	7.0
128.04259	3.5
131.04984	1.8
133.06482	25.5
135.08052	2.2
149.05960	16.7
151.07559	13.1
227.10619	13.9
269.11795	4.2
272.16342	2.1
434.21686	63.3
435.21902	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44498	1.1
50.64382	1.2
57.59325	1.3
69.31120	1.3
76.67867	1.5
93.07044	1.7
103.05449	2.1
107.04948	100.0
108.05350	2.0
113.67077	1.4
121.06496	42.6
209.43178	1.5
221.93300	1.8
298.89175	1.8
306.66574	2.1
374.26678	1.9
434.21750	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02079	1.7
55.05495	2.8
57.28366	1.6
60.65305	1.7
62.64145	1.6
66.18070	1.6
67.05495	30.4
69.07056	3.2
69.32301	2.0
79.05487	6.5
81.07047	29.6
83.08607	2.9
85.06519	2.2
88.25447	1.9
91.05482	10.6
93.07019	14.8
95.08593	32.1
105.07063	2.4
107.08575	3.7
109.10149	10.6
119.04940	26.2
121.10144	28.6
135.11674	30.7
147.04407	100.0
149.13313	6.6
165.05438	14.1
195.39082	2.0
217.19566	7.3
221.40486	1.9
235.20541	18.6
253.21591	5.6
256.10428	2.3
333.72034	2.5
407.66876	2.2
455.54880	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	434.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.3
55.54474	1.2
55.99604	1.5
57.48195	1.2
58.63498	1.3
60.99851	1.2
65.03920	1.5
67.05495	27.5
69.07040	3.7
75.60251	1.4
79.05479	7.0
80.20866	1.5
81.07047	25.1
83.08596	3.4
91.05465	8.7
93.07037	12.2
95.08596	31.4
99.08062	1.3
101.98116	1.4
107.08587	7.6
109.10147	8.6
119.04924	25.3
121.10140	26.9
123.11683	3.2
135.11684	26.5
147.04399	100.0
149.13260	3.3
150.06906	1.7
163.15521	1.6
165.05457	15.9
192.78310	1.7
217.19525	4.6
235.20517	18.8
253.21638	4.6
354.55518	1.8
428.99738	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.0
60.04284	3.3
60.04523	42.3
62.93724	4.0
67.05490	22.8
69.07064	4.6
77.20253	3.3
79.05481	5.6
81.07030	20.0
91.05470	16.6
91.60976	3.8
91.70987	6.6
93.07032	11.7
95.08607	17.2
97.36237	4.1
100.16146	3.7
102.00339	4.1
109.10136	5.7
119.04933	29.2
125.70649	4.6
127.12178	3.8
135.11668	3.7
147.04410	100.0
165.05490	25.0
179.68530	4.0
197.90437	4.1
252.23260	21.7
270.24295	27.0
434.29141	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	435.0921
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
57.03170	0.8
57.03429	12.6
61.02900	2.2
67.05487	1.4
68.99786	1.0
69.03396	1.1
71.01334	0.7
72.85075	0.6
73.02908	20.1
79.05456	0.6
81.06991	0.6
85.02871	1.8
86.09669	0.8
91.71082	0.7
93.07018	1.4
95.04942	0.8
95.08591	1.8
95.61440	0.6
109.10119	0.8
111.00773	1.1
115.03905	1.6
116.88535	0.6
121.02905	1.4
121.10125	0.6
137.02325	4.6
144.44713	0.6
146.63824	0.5
153.01837	4.9
161.05986	0.6
163.03867	0.8
165.01814	2.5
173.05986	0.7
183.02879	1.3
200.12007	0.6
201.05504	2.1
229.04933	6.4
257.04544	3.4
264.06128	0.6
285.03952	1.0
303.04956	100.0
304.05164	1.2
408.58942	0.7
427.61807	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1284
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
51.79035	2.5
53.03962	2.8
55.01856	9.9
55.05495	8.8
57.03430	16.8
61.02911	5.2
65.03954	3.4
67.05494	60.8
69.03419	16.1
69.07044	13.6
71.04980	52.5
71.32915	3.1
73.02877	5.3
77.64989	3.4
79.05475	31.3
81.03414	15.1
81.07037	32.9
83.04958	7.8
83.08598	4.5
85.02895	70.7
85.06514	17.5
87.04470	6.7
90.96066	3.8
91.05476	32.8
93.07040	51.3
93.14135	3.0
93.93770	3.3
95.04958	11.1
95.08599	74.2
97.02892	12.2
97.06511	13.1
99.04446	13.5
99.08092	10.0
105.07026	13.9
107.04956	6.8
107.08578	16.7
109.02879	11.3
109.06506	4.2
109.10157	39.5
111.08088	10.9
115.03979	5.1
117.07013	12.8
119.04922	4.5
119.08557	20.1
121.02861	22.5
121.06510	5.5
121.10159	27.5
122.04982	3.4
123.04406	8.4
123.08049	5.5
123.11729	3.4
127.03931	5.6
129.06963	4.5
131.08582	17.0
133.10132	6.0
135.04407	4.7
135.08104	5.0
135.11714	8.7
137.09628	22.3
139.11168	15.6
145.10130	4.3
147.04404	20.8
147.11737	3.9
149.02380	3.3
149.55899	3.4
153.01814	15.8
153.09106	3.4
153.12718	5.5
155.08525	4.2
155.10651	6.0
157.10161	3.5
157.12215	10.1
159.11679	19.8
163.03941	10.6
165.01810	43.0
173.13226	9.3
177.01810	10.4
183.02890	29.0
183.11760	5.1
187.03871	3.6
191.03397	22.1
191.14310	4.7
195.02878	100.0
201.12750	11.1
205.04924	7.6
209.04471	5.5
212.19180	3.8
215.03366	4.8
219.02843	43.3
219.13794	18.1
231.02861	30.9
237.14832	28.1
243.02934	6.7
249.03848	21.2
255.15956	23.8
257.47980	3.9
261.03946	30.0
273.07465	4.1
273.16818	26.5
279.04956	9.8
285.07556	26.0
297.06000	11.6
303.05032	10.7
315.08627	9.9
339.08646	18.3
351.08490	11.0
399.10611	7.7
417.11917	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	435.1286
Annotation	Rumejaposide E
Peak:m/z	Relative Intensity
54.71389	3.2
55.01880	3.9
55.05507	4.4
57.03201	3.9
57.03450	16.0
62.80748	3.7
63.92148	3.1
67.05524	17.5
69.07082	7.9
70.06611	10.9
71.05002	8.9
72.08170	4.3
79.05511	6.7
81.03429	7.9
81.07073	13.4
83.01265	3.8
83.04988	5.4
85.02890	57.2
86.09741	12.9
86.42127	3.2
91.05516	12.2
93.07078	11.8
95.04967	8.1
95.08590	32.5
97.02903	6.6
99.04474	9.9
105.07052	7.5
107.04997	6.3
107.08587	6.5
109.02923	7.5
109.10214	11.7
119.05005	5.9
119.08569	4.5
120.71410	3.3
121.02824	22.6
121.10172	8.8
123.04468	7.1
135.04459	4.6
137.06017	6.0
139.11229	13.0
145.05075	4.4
147.04390	19.3
151.03979	7.2
153.01912	5.8
159.11720	7.2
163.03911	11.3
165.01848	30.8
173.13339	5.8
177.01811	19.2
177.09142	4.4
183.02887	32.7
183.04214	3.3
183.11743	3.7
189.01883	5.3
191.03325	19.4
195.02872	100.0
219.02850	40.4
219.13902	11.3
219.73393	4.6
231.02873	25.9
233.04512	4.6
237.14915	8.3
243.03058	5.8
249.04088	15.8
255.16039	7.5
261.03879	28.4
273.07709	3.8
279.04883	4.9
285.07529	32.1
288.26135	4.0
297.07520	19.8
315.08517	20.7
339.08582	29.4
351.08679	14.1
363.08890	5.3
381.09641	8.5
399.10812	12.1
418.93585	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	435.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	6.3
59.74714	5.4
63.20912	5.3
68.82558	5.6
70.33297	6.0
85.43105	5.6
88.33810	5.4
100.11299	12.1
134.99759	6.2
139.46489	6.2
149.70129	6.6
210.14868	8.8
247.69930	7.3
259.73676	8.2
435.15793	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1989
Annotation	Met Glu Arg
Peak:m/z	Relative Intensity
55.10293	3.7
61.88599	3.9
103.59097	4.4
118.80350	4.2
158.06587	4.9
195.30016	4.4
320.97830	4.7
350.60352	5.4
410.14063	4.6
435.19907	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1988
Annotation	Arg Glu Met
Peak:m/z	Relative Intensity
57.75465	0.9
71.33274	0.9
78.92764	0.8
78.95679	0.8
96.33255	1.0
101.21566	0.9
101.63293	0.9
104.19882	0.9
108.29383	0.9
203.05266	3.2
252.16168	1.1
435.19839	100.0
436.20261	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	435.2026
Annotation	Arg Glu Met
Peak:m/z	Relative Intensity
62.66505	3.6
71.10178	3.7
81.07017	4.8
95.65758	4.5
109.09907	3.8
109.92426	3.7
142.19762	5.0
147.04411	10.0
254.28322	4.7
268.19553	4.7
348.77591	5.0
435.20230	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
54.25439	3.9
55.01850	3.5
55.05498	8.0
55.27382	3.7
57.03417	8.4
58.61790	3.2
63.38639	3.1
67.05492	46.5
68.12173	3.1
69.03422	9.7
69.07053	13.4
71.04978	16.2
71.61668	3.4
79.05489	13.9
81.03397	4.2
81.07052	25.6
83.04968	6.5
85.02901	49.3
87.04436	7.6
91.05482	17.5
93.07052	42.8
95.04980	4.8
95.08599	100.0
96.95236	3.8
99.04467	22.2
105.07020	8.0
107.08590	10.5
109.06544	4.0
109.10168	35.4
111.77632	3.8
117.06992	6.7
119.08602	21.2
121.10175	21.4
131.08539	5.5
131.66499	3.4
135.11710	12.9
137.09647	21.8
139.11221	19.0
143.05104	4.1
145.10091	4.3
150.96872	4.0
157.10217	5.2
159.07872	4.8
159.11700	15.9
166.65775	4.2
173.13298	8.1
189.51672	4.1
191.14333	4.7
201.12854	10.3
219.13820	22.5
237.14902	16.3
255.15889	17.1
273.17014	4.6
442.35031	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	435.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37296	6.0
53.03943	8.0
55.01871	5.8
55.05504	6.3
57.03415	7.5
66.58743	5.5
67.05500	87.1
67.06480	6.0
69.03419	14.4
69.07066	18.5
71.04999	33.2
72.08144	7.1
79.05482	31.0
81.07047	32.9
83.04996	7.7
85.02894	72.6
86.09721	11.3
91.05466	16.6
93.07039	52.5
95.08604	100.0
96.72298	6.4
97.06569	7.6
99.04448	38.0
105.07017	14.0
107.08584	12.2
109.10166	44.2
111.11661	6.6
117.07035	7.8
119.08585	23.8
120.08096	8.6
121.10139	28.2
126.29577	7.5
129.26604	6.9
131.08531	10.6
135.11691	18.4
137.09596	15.4
139.11201	29.2
151.07538	8.2
153.12750	12.7
154.48967	6.4
154.77237	6.9
159.11697	16.7
173.13176	7.9
191.14294	12.9
192.52133	7.1
201.12840	9.8
219.13730	34.7
237.14877	20.3
248.77440	7.0
255.15901	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.01857	4.3
55.05491	13.5
55.28450	3.1
57.03425	6.9
61.02923	3.3
64.11056	2.8
67.05496	66.1
68.41367	3.0
69.03416	9.1
69.07060	22.6
71.04978	22.8
75.59802	2.9
79.05486	27.7
81.03391	5.9
81.07046	25.5
83.04964	8.5
85.02900	74.5
85.06559	4.2
87.04470	12.8
91.05478	13.4
93.07032	45.1
95.04986	6.2
95.08596	100.0
96.08932	5.3
97.02876	4.2
97.06538	9.5
99.04443	29.8
99.08063	3.7
105.07044	10.5
107.04986	5.8
107.08620	10.7
109.10149	23.2
111.11761	4.3
115.03925	11.4
117.07014	12.2
119.08579	10.1
121.06487	4.9
121.10136	31.7
123.11689	6.0
127.03889	6.4
130.77971	3.3
131.08577	12.9
135.08023	6.8
135.11725	4.5
135.57504	3.3
137.09615	18.0
139.11177	42.1
145.10123	5.8
153.05449	6.0
153.12769	14.2
157.10194	4.1
159.11717	27.5
183.11682	4.5
191.14288	8.5
201.12823	6.6
203.36487	4.4
219.13841	25.7
237.14853	22.1
240.07288	4.8
255.15912	21.8
325.92114	4.1
376.37094	4.6
424.74792	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	435.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	5.8
55.05498	8.1
57.03424	6.5
61.50868	1.8
63.05365	1.6
63.59402	1.7
64.53326	1.7
67.05495	45.3
69.03420	8.2
69.07061	13.6
71.04987	14.8
72.08125	2.5
73.02932	2.4
79.05490	17.9
81.03409	8.4
81.07050	23.3
83.04961	4.5
85.02420	3.9
85.02898	48.3
87.04463	4.9
91.05476	14.2
93.07034	42.4
95.04960	6.5
95.08601	100.0
97.02875	3.6
97.06561	4.4
99.04453	19.1
103.05427	1.9
104.15245	1.7
105.05391	1.9
105.07035	6.1
107.04999	2.9
107.08612	11.0
109.02866	2.1
109.06520	3.2
109.10153	33.0
111.04442	2.1
111.08112	2.7
111.11741	3.2
115.03896	3.2
117.05528	1.6
117.07003	7.2
119.08571	16.7
120.08147	3.8
121.06522	3.6
121.10141	29.4
124.41232	1.9
125.05967	2.1
127.03947	5.6
128.55574	1.7
131.08585	8.7
135.11699	11.6
137.06003	2.2
137.06972	2.1
137.09641	21.0
138.27534	1.9
139.07486	2.3
139.11194	23.2
145.04939	4.5
145.10110	4.0
149.09700	2.8
153.12750	8.2
155.07002	3.7
155.08580	2.8
156.31384	2.3
157.10130	7.7
159.11671	18.9
159.90302	1.8
173.13219	7.7
183.11613	5.7
191.14340	7.2
201.12732	11.2
219.13794	25.3
237.14830	20.3
245.22595	2.2
255.15871	13.2
273.17093	2.6
336.86133	2.2
402.16046	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	435.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.9
55.05497	11.6
55.20076	2.7
57.03421	8.7
58.63399	3.1
67.05492	69.7
69.03403	9.0
69.07066	18.5
71.04981	27.4
79.05486	19.8
81.03407	6.8
81.07040	33.8
83.04979	7.9
85.02895	70.0
87.04448	10.7
91.05461	13.3
91.71069	6.5
93.07037	44.2
95.04965	6.6
95.08595	100.0
97.02884	6.7
97.06541	9.9
99.04440	27.0
103.03941	3.7
105.07031	9.9
107.08614	11.2
109.10160	30.9
111.95346	3.3
115.03922	10.9
117.06982	8.9
119.08582	12.8
121.06508	9.8
121.10135	27.2
123.11678	6.3
127.03895	7.2
131.08582	12.9
134.55533	3.4
135.08046	4.6
135.11736	8.1
137.09618	14.0
139.11179	35.5
145.10110	4.8
153.12747	7.7
155.08508	3.8
157.10207	3.9
159.11691	22.5
173.13237	13.5
183.10191	4.1
183.11642	6.1
191.14308	12.2
192.94333	4.0
201.12787	14.8
219.13789	33.8
237.14792	25.0
255.15904	19.7
276.65329	4.2
444.94568	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	435.2504
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.69672	3.3
55.05503	28.2
56.96544	3.6
57.03426	11.4
57.07057	5.4
65.03946	4.8
67.05492	82.6
67.73228	3.9
69.07053	30.8
73.59480	4.3
79.05486	16.9
81.07044	78.9
83.08603	17.9
85.06539	4.7
86.54452	5.2
91.05462	15.8
91.71000	9.0
93.07050	30.9
95.08594	60.2
96.08958	7.7
97.06519	9.4
97.10179	10.6
98.98466	72.4
100.08410	4.8
100.80257	4.8
105.07024	12.9
105.92512	4.1
107.08607	14.2
109.10128	26.0
111.08144	5.4
114.25841	4.6
116.46969	4.6
119.04948	5.8
119.08600	7.6
121.10129	17.8
122.10512	4.9
123.11713	8.9
129.20952	4.4
135.11681	17.3
137.13228	5.1
138.02113	4.6
140.01097	8.5
147.04414	39.3
148.04767	17.2
149.13217	9.1
155.01003	22.9
165.05507	6.3
173.02089	7.5
236.20953	11.8
245.22629	10.1
259.82162	6.8
263.23712	19.7
307.69803	4.9
337.27316	100.0
382.45895	5.7
454.01947	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69193	11.1
53.92051	11.3
54.24358	10.2
55.05497	25.0
57.04266	11.4
58.65903	11.8
58.66198	12.4
59.50884	10.2
60.20754	14.1
67.05494	93.2
69.07052	31.2
79.05490	21.4
81.07041	100.0
83.08604	24.1
90.19341	13.6
91.05466	20.5
93.07026	22.4
94.33374	12.7
95.08602	87.1
97.10202	21.4
98.98465	96.0
107.08583	18.6
109.10163	35.2
121.10125	20.6
135.11700	20.4
136.12155	18.5
140.01102	17.8
147.04439	51.9
155.01042	56.0
247.35619	16.8
263.23782	37.4
337.27261	41.8
369.28366	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	435.2742
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03926	5.4
55.01866	8.8
55.05505	33.7
57.03426	12.7
64.84926	4.7
67.05498	96.7
69.07058	39.5
74.24710	5.6
76.72750	6.0
77.03931	7.7
79.05488	61.6
81.07050	88.4
83.08614	19.3
83.19812	5.7
85.06545	6.2
90.23614	5.1
91.05476	100.0
93.07038	61.7
95.04969	22.0
95.08603	45.1
97.06565	13.4
105.07037	83.9
105.84988	6.2
107.04944	15.4
107.08584	24.5
109.06538	9.3
109.10162	12.0
115.05415	8.7
117.07030	49.6
119.08598	40.6
121.06499	10.9
121.10155	17.7
123.08089	6.2
123.94839	7.2
129.07011	36.1
131.08563	74.8
131.09399	8.8
133.06532	9.6
133.10146	38.0
135.11630	12.2
137.09607	7.6
141.06969	11.7
143.08565	36.1
145.06427	6.5
145.10152	40.9
147.08081	6.4
147.11626	7.3
149.09564	7.9
155.08545	18.9
157.10161	21.3
159.11725	26.4
169.10138	16.6
171.11667	18.2
181.10214	10.9
183.11736	9.2
185.09575	10.0
185.13301	23.7
187.11092	10.0
195.11688	10.1
197.13214	8.6
199.11147	10.7
199.14886	6.7
201.12848	7.1
202.82813	6.3
209.13327	8.0
213.12772	8.7
223.14859	6.2
273.21432	5.8
307.20422	8.0
315.23065	17.9
325.21539	48.7
343.22583	49.5
361.23895	31.0
417.26352	76.6
417.31561	12.7
435.27524	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2743
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
52.19919	5.8
53.48464	4.9
55.01860	9.1
55.05496	23.9
55.51724	5.1
57.03426	11.6
62.90334	6.0
62.97471	4.9
65.03928	7.5
67.05494	79.6
69.07051	25.5
70.06591	9.9
75.36124	5.7
79.05480	40.2
81.07048	67.0
83.08598	11.3
91.05474	100.0
93.07034	54.2
95.04958	24.3
95.08589	50.9
102.99931	6.3
105.07034	58.8
107.04967	8.2
107.08604	21.2
109.10160	15.8
115.05457	11.7
116.06209	7.1
117.07028	67.2
119.04958	6.8
119.08595	41.4
121.10139	19.7
128.06227	11.1
129.06999	34.2
131.08554	92.2
133.06560	8.0
133.10141	13.4
135.08084	6.7
135.11722	13.6
141.07028	14.4
143.08572	24.9
145.06587	9.6
145.10088	66.2
147.04427	10.5
147.08099	11.2
147.11726	8.5
150.45073	6.5
155.08582	13.1
157.10112	19.5
159.08052	11.4
159.11722	26.8
161.09584	11.8
161.13205	8.1
162.22903	7.0
169.10124	14.9
171.11655	17.3
181.10181	13.5
183.11768	6.9
185.09703	13.4
185.13338	9.0
199.11256	11.9
287.67255	7.6
297.22034	16.1
315.23196	45.3
325.21500	47.4
343.22610	42.8
361.23849	17.8
417.26297	46.5
435.27341	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	435.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	13.8
56.93531	1.7
57.07061	5.0
58.43061	1.7
60.62688	1.8
65.03949	1.9
67.05499	19.4
69.07050	16.5
71.04984	2.2
74.18612	2.0
79.05479	8.3
79.68673	2.3
81.07050	24.1
82.57359	2.0
83.08604	12.9
91.05470	20.3
93.07049	8.6
95.04972	3.4
95.08603	20.3
97.06518	2.6
97.10162	13.6
105.07030	6.4
107.08589	5.4
109.10115	5.9
111.11700	4.3
114.06396	2.0
119.04948	29.2
119.08601	8.0
121.10146	10.5
123.11737	2.7
125.13301	2.2
131.08604	3.6
133.10123	7.4
135.11710	9.5
137.13260	3.0
139.11220	2.3
147.04404	100.0
147.11713	3.9
148.04800	3.5
149.13287	2.7
151.11142	3.1
153.12785	2.6
161.13277	5.8
165.05453	18.5
165.12798	2.7
217.19534	9.9
235.20593	10.0
253.21625	9.6
382.01065	2.4
435.27109	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	435.274
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
55.05496	30.3
66.94906	7.6
67.05493	65.0
68.75436	9.1
69.07041	23.8
70.06573	12.6
70.95700	7.5
71.04990	8.8
73.57080	7.4
74.92606	7.4
75.60861	8.3
79.05490	50.8
81.07050	85.6
83.08607	14.9
91.05459	82.8
93.07039	65.8
95.04946	21.5
95.08604	53.6
97.06496	11.6
105.07040	56.3
107.08576	16.0
109.10139	10.1
117.07034	44.5
119.08559	35.8
121.06503	13.7
121.10123	21.2
128.06218	10.1
129.07013	31.8
131.08556	40.7
133.06514	13.9
133.10072	11.5
141.06979	11.9
143.08537	21.2
144.87898	8.2
145.10138	27.8
147.04436	21.3
147.11664	10.3
149.13255	8.8
155.08569	12.0
157.10228	16.0
158.83578	9.6
159.11720	16.0
169.10149	12.7
171.11719	9.9
181.10138	11.5
187.11275	11.6
195.11717	13.3
199.11118	12.6
209.13307	9.9
277.92084	11.0
315.23099	20.2
325.21545	48.6
343.22739	41.9
347.61682	9.6
351.37592	10.6
355.57535	9.3
361.24091	13.5
417.26288	100.0
435.27310	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61873	4.8
53.00291	6.0
55.01861	6.2
57.07069	100.0
67.05489	14.8
69.07063	7.6
79.05479	20.2
81.07069	13.5
85.06543	36.8
91.05473	41.0
91.11600	4.7
93.07026	44.3
95.04958	19.1
95.08599	34.5
96.44817	4.4
105.07015	26.6
107.04947	6.4
107.08578	8.8
109.06500	6.9
109.10162	7.9
117.06997	9.4
119.04924	8.0
119.08584	15.7
121.06484	7.4
122.48584	5.7
129.06993	10.1
131.08505	7.5
133.06619	6.0
137.09630	11.1
141.07043	8.7
143.08490	9.3
145.10158	11.9
149.60503	6.5
151.11172	6.2
157.10150	6.4
159.08034	7.6
159.11746	8.2
163.11252	7.5
169.10098	7.2
175.11179	9.7
177.12746	12.8
187.11069	9.3
189.12624	8.1
209.87175	8.1
213.12651	7.8
217.12366	9.5
227.14366	7.4
229.12209	6.3
229.15950	7.4
243.17590	10.5
257.15439	7.5
267.17517	8.8
271.17023	12.6
282.75858	5.6
285.18515	10.9
293.19165	9.5
308.90005	5.6
333.21912	8.2
335.19937	11.8
377.24692	67.3
403.77811	5.7
435.28815	85.4
454.72427	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	435.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95774	33.0
54.17647	32.8
58.16298	36.3
67.05496	99.2
69.07033	45.6
75.66671	33.8
81.07037	100.0
91.05453	56.1
95.08555	58.2
98.65247	36.2
123.33756	39.2
141.11557	49.8
245.46057	54.2
275.20267	53.2
277.34219	44.1
283.86511	47.8
303.97202	56.8
308.20673	50.5
455.88675	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	435.3256
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.71168	12.2
54.56725	13.6
57.07062	62.6
58.06831	13.8
67.05497	44.3
70.98972	15.0
79.05482	42.9
81.07047	60.0
88.84042	15.1
91.05428	34.5
93.07034	74.7
93.16719	16.5
95.08587	23.1
105.07030	71.7
107.08604	27.4
109.06442	17.0
109.10136	36.0
117.07073	22.3
119.08604	53.2
121.10175	29.1
131.08548	38.3
135.69069	17.8
145.10062	26.5
147.11679	22.6
157.98674	19.2
165.12769	19.2
173.13277	23.1
184.07288	19.6
191.14272	34.1
250.36069	20.1
255.17435	23.7
417.31668	31.9
435.32700	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61656	12.0
55.05495	33.4
57.03428	11.3
57.07075	18.1
67.05493	74.7
69.07060	32.7
79.05472	25.1
81.07061	75.2
83.04961	15.0
83.08609	40.3
91.05506	26.5
91.33812	12.5
91.71629	25.9
93.06992	33.7
95.04967	12.6
95.08608	100.0
98.98460	77.5
105.07017	17.1
105.82068	12.0
109.10162	25.0
119.08577	19.9
130.44870	13.6
133.10170	16.4
147.04420	40.6
147.11707	15.4
155.01086	30.5
263.23859	16.9
272.24039	14.9
330.38431	16.7
337.27390	58.7
435.32654	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50613	3.6
57.03433	30.2
59.04993	4.7
60.04516	5.3
60.84904	3.9
61.02917	4.9
69.03423	100.0
69.05547	5.0
73.02896	16.6
85.02891	76.7
87.04457	56.9
97.02890	86.1
115.03922	88.6
125.06039	6.0
127.03911	8.2
133.04951	66.5
138.00729	5.0
145.04959	10.9
150.07660	10.8
249.12515	4.4
259.71780	5.7
316.53604	5.6
319.94662	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	436.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70238	2.6
55.01876	10.6
56.36183	2.5
56.66189	2.4
57.03434	17.3
58.23172	2.4
61.02921	14.3
69.03420	34.1
71.01347	6.7
71.05011	3.1
73.02909	84.0
77.59816	2.9
81.03423	6.1
83.13733	2.6
85.02895	100.0
87.04462	6.2
91.03970	3.8
97.02294	2.6
97.02881	49.8
97.03459	3.0
99.04471	4.0
109.02885	6.6
114.05502	3.1
115.03924	30.3
117.21883	2.9
125.06016	5.6
127.03902	31.3
127.04649	2.6
133.04948	34.7
143.81094	3.3
145.04955	38.4
146.33069	3.5
150.07645	5.0
161.06036	3.4
163.06047	6.9
223.06087	4.1
241.07085	4.6
257.42142	3.2
259.08044	5.1
316.07181	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	436.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	2.7
55.01856	13.9
55.05505	15.0
56.98939	2.5
58.99566	13.4
62.99061	7.6
67.05487	14.2
69.03423	5.3
69.07058	100.0
74.00656	15.4
76.02177	4.2
79.05463	4.9
81.03424	3.3
81.07041	13.0
83.08605	3.3
84.04491	44.7
85.02887	13.8
86.99043	5.5
87.02682	27.9
88.02213	7.7
93.07014	4.8
94.53648	2.8
95.08601	6.5
97.02883	6.5
101.04215	3.9
105.62923	3.1
107.08584	5.5
109.10148	4.4
111.11715	11.8
112.03969	10.3
115.03927	7.0
116.01672	29.2
116.97884	3.1
126.03923	3.0
127.03907	5.2
129.06595	13.7
130.04985	45.7
130.93761	3.1
135.11697	5.4
136.06181	3.1
143.08914	15.7
144.01140	16.0
145.06088	10.2
159.08415	13.1
159.63881	2.9
161.09917	19.4
162.02188	56.7
169.10425	8.7
177.03110	6.7
186.13184	5.9
187.11514	13.1
204.14169	6.4
247.04530	3.2
272.13120	22.2
289.15961	6.2
290.14120	41.3
307.16867	17.7
361.17749	14.6
374.47690	4.2
436.21066	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	436.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96826	5.6
54.02511	6.0
55.01847	15.9
55.05501	10.0
56.96553	20.1
57.03431	12.6
57.07065	83.7
58.90240	6.6
59.04987	11.9
61.76986	7.2
67.05482	14.1
69.03416	36.1
70.06573	11.4
71.04977	22.8
73.02914	12.8
79.05472	9.6
81.03413	26.8
81.07043	31.1
81.45853	6.8
83.08620	16.8
83.89137	9.8
84.04551	8.4
85.02899	98.4
86.09671	13.0
87.00806	26.0
91.05434	15.5
93.07034	57.2
94.29478	7.6
95.04965	16.4
95.08604	28.7
97.02877	39.1
97.06505	15.4
99.04454	17.4
105.01864	40.1
107.08592	70.5
109.02868	31.5
109.10150	39.2
120.08102	8.1
123.11704	17.4
127.03949	47.7
133.10138	7.9
135.11700	100.0
139.07588	8.9
145.04968	19.6
149.82965	9.0
153.12747	38.8
159.02910	16.1
171.13820	59.2
307.96973	8.5
354.44086	9.3
356.25940	8.2
437.14041	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	436.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.0
59.04988	1.6
59.90314	1.3
61.02144	1.4
61.02919	1.4
67.05508	8.1
69.03416	5.2
69.07061	5.7
71.04977	14.8
71.43552	1.4
71.79951	1.5
73.06557	2.7
79.05476	4.9
81.03405	2.9
81.07047	23.9
85.02894	11.3
87.00825	2.3
91.05460	2.9
91.71061	2.3
93.07034	20.3
95.08602	4.7
97.02889	5.9
105.01871	7.6
105.07031	2.0
107.08603	13.7
109.02863	3.3
109.10153	8.1
112.71727	1.6
127.03899	5.5
135.11699	25.5
137.09709	1.7
138.73930	1.9
153.12740	100.0
166.72768	1.8
182.05734	1.6
203.17960	2.0
223.11996	2.0
231.04999	1.9
232.71664	1.7
256.15546	2.1
290.84650	1.8
414.04980	3.1
437.06451	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	436.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.7
55.01865	9.8
55.05507	6.7
57.03416	7.1
57.67428	3.3
61.02922	5.1
67.05494	25.3
68.05837	4.7
69.03422	28.8
69.07058	11.0
70.06586	18.7
70.79332	2.8
71.04966	12.0
73.02904	3.9
79.05481	17.5
81.03424	20.0
81.07059	37.3
83.04958	4.1
83.08607	6.5
85.02893	85.9
86.00172	3.9
86.03244	3.5
86.09709	8.6
87.00820	20.5
91.05467	25.2
93.07034	94.1
94.07349	6.3
95.04937	8.2
95.08601	55.0
96.08937	17.5
97.02876	30.5
97.06595	3.8
99.04446	13.5
105.01860	37.3
105.07040	11.0
107.08588	100.0
109.02892	21.3
109.06550	8.9
109.10205	8.0
109.19432	4.0
110.10393	4.4
111.89745	4.1
115.07341	3.9
119.08575	8.8
120.08093	12.7
120.08942	4.2
121.10172	8.4
122.10445	7.1
127.03905	39.9
129.01854	5.5
130.58986	3.9
135.11694	55.6
136.12009	4.4
137.09637	6.9
137.13326	6.7
139.11191	8.2
145.05037	22.4
145.10069	5.3
153.12790	8.4
159.02879	10.3
159.11729	3.8
164.63974	3.6
176.56885	3.8
219.13840	9.1
231.04971	8.8
238.15288	4.9
407.99582	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	436.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66173	4.2
55.01859	6.3
55.05516	27.4
56.75102	3.8
57.03407	6.9
57.07060	5.6
61.60327	5.8
67.05494	63.3
69.03407	11.4
69.07057	56.4
71.04981	33.6
79.05479	14.9
79.72899	4.3
81.03397	7.7
81.07042	100.0
83.04974	11.5
83.08592	12.7
85.02901	58.4
87.04462	30.8
91.05492	25.0
93.07028	27.4
95.04935	10.8
95.08604	48.2
97.02858	9.1
97.06507	10.1
97.10162	8.1
99.04452	25.7
101.02339	6.0
105.07022	39.3
107.08621	15.4
109.06464	7.3
109.10184	6.5
111.04405	5.6
113.05981	6.4
115.03851	12.2
117.05405	4.8
119.08566	45.9
121.10171	18.3
123.08040	8.3
123.11690	38.6
132.38913	5.1
133.06482	6.0
133.10095	26.4
134.88474	5.1
137.13271	9.8
139.11157	8.9
141.12747	20.8
147.11665	7.8
151.07529	8.4
155.14284	10.0
159.11597	5.5
160.58952	5.6
161.09663	5.9
161.13254	35.7
165.09093	13.8
175.14810	33.7
185.13245	11.1
193.15923	7.9
203.14311	22.3
207.15379	5.2
221.15335	63.3
239.16406	67.1
257.17493	7.8
442.86282	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	436.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	8.4
55.05504	23.4
57.03421	8.3
57.07060	6.5
67.05166	7.5
67.05495	72.3
69.03408	6.0
69.07059	45.6
71.04988	42.1
75.50151	3.8
78.57868	4.0
79.05485	20.4
81.03416	8.0
81.07049	96.8
83.04993	9.4
83.08612	15.5
85.02895	30.8
87.04463	36.6
91.05482	32.4
93.07030	28.1
95.04954	15.8
95.08588	29.3
97.06535	19.0
97.10162	5.9
99.04445	32.0
105.07027	38.2
107.04923	7.6
107.08582	14.9
109.02872	4.6
109.06524	6.1
109.10157	15.1
111.04465	6.9
113.06013	10.2
115.03935	16.6
119.08577	46.7
120.05364	5.1
121.06496	7.0
121.10155	10.9
123.08042	8.2
123.11687	47.2
125.05988	19.2
127.03938	11.5
129.06990	5.8
131.08585	6.7
133.06477	5.9
133.10101	24.4
137.06026	5.2
139.11200	10.8
141.12769	21.4
143.07010	11.3
147.08057	5.6
147.11673	8.9
151.07596	6.5
159.11729	7.8
161.09554	6.0
161.13210	39.9
165.09122	17.2
175.14777	41.3
179.10709	5.7
179.14400	9.1
185.13264	16.8
193.15991	7.3
203.14296	30.3
221.15385	66.1
239.16394	100.0
240.97658	5.5
257.17554	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	437.1442
Annotation	Hydrangea glucoside A
Peak:m/z	Relative Intensity
53.03945	5.4
55.01859	7.5
55.05489	4.9
56.08806	4.7
67.05481	3.7
69.03105	4.5
69.03410	34.4
73.02898	6.5
74.64883	3.7
75.58854	3.9
81.03409	21.5
81.06168	3.9
81.07059	5.9
83.04981	19.2
85.02905	11.9
91.05483	13.5
91.71644	6.1
94.69669	5.3
97.02886	18.5
99.04446	8.2
105.07029	8.5
107.04946	40.0
109.02886	11.0
111.04417	6.7
115.05453	18.4
119.04927	34.4
123.04430	10.2
127.03918	75.7
131.04973	9.2
133.06497	14.1
141.07056	5.4
143.04915	24.5
145.06479	14.2
146.04451	5.4
147.04416	100.0
150.79448	4.4
151.03876	25.4
157.06494	14.8
159.04472	8.3
161.05977	13.2
165.07043	9.0
169.06445	7.7
171.04422	43.5
173.05930	14.4
175.03979	8.0
177.05547	15.1
183.08075	11.3
185.06056	17.7
187.04033	11.0
189.05464	43.7
197.06047	9.9
201.05481	9.1
201.44479	5.4
211.07559	21.0
213.05502	21.7
213.09109	8.1
221.73991	5.5
239.06984	27.1
257.08102	26.8
275.09152	16.2
290.93436	6.3
293.10156	28.8
401.12381	7.0
419.13245	5.9
437.14465	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	437.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74498	1.3
54.33801	1.3
55.05499	3.0
63.21345	1.2
65.03926	1.5
67.05492	2.9
69.03428	8.3
71.04976	2.2
72.25276	1.3
73.02905	6.5
78.35941	1.3
79.05460	1.5
81.03397	4.7
83.04972	18.9
85.02911	7.7
91.05467	13.6
93.89458	1.4
94.98975	1.3
95.04960	6.3
97.02893	12.5
99.04393	1.7
100.15706	1.5
107.04947	41.4
109.02869	2.3
111.04446	6.0
119.04931	31.9
121.02809	3.6
123.04415	12.5
125.87873	1.6
127.03942	4.3
129.05464	3.2
131.04982	2.7
133.06493	3.3
141.07002	1.8
144.05870	1.7
145.06496	2.2
147.04407	100.0
147.08040	1.9
151.03903	28.6
159.08026	1.9
161.05984	5.3
163.03960	1.9
165.05731	1.5
169.04979	3.2
173.06056	2.7
180.43588	1.8
185.06035	1.4
187.07509	2.4
193.46039	1.8
213.09126	5.2
225.06445	1.6
239.07088	3.2
257.08093	12.7
270.72522	1.7
278.75552	2.2
298.13211	2.2
355.80032	1.7
373.99582	1.7
411.48859	1.9
437.14346	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	437.1436
Annotation	Hydrangea glucoside B
Peak:m/z	Relative Intensity
53.03928	3.9
53.25719	3.2
55.01855	5.6
55.05510	3.4
55.28885	3.6
63.43672	3.2
63.63297	3.6
69.03411	34.4
71.04984	4.1
72.77896	4.2
73.02909	6.5
79.33029	3.8
81.03399	21.4
83.04964	18.6
85.02886	11.7
91.05476	16.0
97.02886	13.8
99.04457	10.1
105.07027	5.0
107.04949	40.2
109.02868	8.0
111.04468	11.1
115.05479	9.3
115.80289	3.8
117.07052	5.9
119.04903	22.3
123.04438	10.3
127.03907	64.2
129.07037	5.4
129.96385	4.4
131.04861	8.8
133.06514	10.5
141.06975	4.9
143.04926	22.5
145.06436	5.9
147.04399	100.0
151.03906	19.5
157.06505	14.6
159.04393	12.0
161.05959	21.7
165.06973	7.1
171.04401	46.3
173.06001	15.6
175.03867	9.3
177.05467	14.0
183.04588	5.5
183.08063	5.4
185.06039	18.7
189.05449	50.7
197.06049	7.7
201.05521	13.9
211.07558	15.0
213.05397	28.2
239.07030	31.0
257.08051	29.2
275.09149	18.6
293.10226	35.1
343.30960	4.8
401.12103	5.1
437.14362	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	437.144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22853	1.2
55.01872	2.5
55.05498	3.9
65.03918	2.9
67.05482	3.6
67.39111	1.3
69.03420	9.1
70.06577	3.0
71.04976	2.2
73.02908	5.6
75.15667	1.3
79.05509	1.7
81.03407	6.7
83.04974	16.4
83.70541	1.3
85.02916	11.2
87.04445	2.0
91.05479	16.3
95.04976	4.8
97.02888	11.7
99.04443	3.6
104.43317	1.4
107.04950	44.5
109.02872	1.9
111.04453	7.4
119.04935	27.0
121.02901	3.5
123.04414	10.6
127.03922	3.9
129.05489	1.8
131.04900	1.9
131.08585	2.0
133.06480	2.7
145.06415	2.9
147.04404	100.0
149.06081	2.2
150.92725	1.6
151.03888	27.0
157.06502	2.7
159.04463	2.3
161.06001	6.7
163.03915	2.0
165.05476	2.7
165.06967	2.4
169.04941	3.9
169.06389	2.4
173.06021	2.7
187.07433	1.9
213.09140	3.4
239.07109	2.1
257.08096	14.3
297.48688	2.0
313.08627	1.8
386.92957	1.7
432.62964	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	437.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	22.3
69.07045	24.8
75.50383	21.2
81.07037	42.6
83.08617	23.7
89.17007	17.8
89.60793	18.1
91.71665	51.6
95.08600	37.1
98.98462	55.7
99.31300	22.7
100.32201	21.3
105.07005	22.3
107.08616	26.4
154.95383	20.7
155.01060	39.4
163.33305	20.4
178.48260	27.0
271.08844	23.7
287.90143	26.1
339.28952	31.7
437.20734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97176	5.6
51.25119	5.7
51.90827	6.9
53.30430	6.6
55.05506	37.7
56.24297	6.3
57.07059	19.1
67.05502	15.6
69.07059	31.9
69.81637	7.1
75.54823	6.0
80.66850	5.8
81.07051	21.6
83.08617	15.5
92.14687	7.2
95.08620	14.7
96.66687	7.4
110.33208	6.4
111.11743	7.5
138.30424	9.0
139.05426	20.9
179.04941	39.7
181.06592	10.3
194.68022	9.7
195.04437	20.6
197.06032	13.8
205.06335	9.6
207.04382	22.5
221.06047	26.2
223.04028	23.3
223.07634	17.0
225.05424	44.3
233.06062	17.1
235.07523	17.0
237.05545	12.4
241.04912	100.0
247.07553	18.3
249.05659	27.1
251.03317	57.6
251.07063	28.6
253.04968	21.1
259.05966	10.5
263.07062	32.3
265.08627	28.8
267.06427	35.6
269.04391	85.0
270.74686	8.3
275.06833	14.5
277.08572	10.1
279.06512	43.2
279.09927	12.0
281.08124	20.2
283.05966	9.4
291.10074	20.7
293.08063	22.8
303.10196	11.6
350.56183	9.3
401.21085	8.6
419.21967	35.3
437.23209	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	437.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71252	7.2
54.10935	7.8
54.31794	6.8
55.05495	31.8
64.10429	8.8
69.07056	22.6
81.07027	11.5
83.08640	11.6
86.05519	9.5
90.35173	8.8
95.08584	20.2
110.88951	9.7
139.05435	26.0
161.66943	11.3
167.04958	20.3
173.82748	11.2
179.04945	35.8
195.04391	21.0
207.04398	23.1
221.06081	16.2
223.03894	27.0
223.07701	18.8
225.05403	19.6
233.06009	14.8
237.05383	14.0
241.04912	99.4
249.05547	18.2
251.03391	34.3
251.07132	22.4
253.05093	18.5
263.07098	31.8
265.08679	30.6
267.06491	36.4
269.04416	100.0
279.06503	38.8
281.08160	16.2
291.10150	23.0
293.08124	17.1
419.22098	33.0
437.23328	66.4
449.24039	11.8
463.68857	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	14.0
56.67411	2.6
57.03421	5.6
57.07055	4.8
59.33667	2.6
63.04889	2.7
67.05497	86.5
69.03423	3.1
69.07060	20.7
79.05495	22.8
81.07047	100.0
83.08611	13.6
85.02902	9.2
91.05473	13.2
93.07030	40.5
95.01323	40.3
95.04954	3.6
95.08595	76.2
95.09158	5.7
97.10173	5.0
98.98470	9.1
105.07024	16.7
107.08586	21.8
109.10155	32.7
113.02351	4.8
117.07014	7.0
119.08566	9.5
121.10132	24.4
123.11670	19.9
129.01820	5.3
131.08557	17.1
133.10120	9.1
135.11708	19.4
137.13307	8.5
141.01808	18.7
145.10129	12.1
147.09955	3.5
147.11682	4.8
149.13248	12.1
151.11191	4.0
151.14839	4.2
155.00923	6.2
159.11681	7.2
161.13254	9.2
163.14836	5.2
173.13184	5.9
173.30492	3.7
177.03935	16.0
177.16342	5.0
181.79932	3.6
187.14853	9.4
243.21082	15.3
261.22107	33.2
265.25217	4.7
339.28952	8.2
437.25339	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	437.2663
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
55.05504	35.9
57.03415	14.4
57.07067	17.7
59.80136	4.3
67.05494	41.9
69.07062	44.7
70.06581	6.5
79.05479	8.4
81.07051	41.3
83.08607	39.8
93.07049	12.5
95.08600	29.4
97.10161	20.3
98.98454	72.7
105.07011	6.2
107.08603	9.7
108.84356	3.9
109.10149	13.8
111.11774	5.8
121.10122	13.5
133.25302	4.2
135.11703	11.8
137.13287	6.8
148.73758	4.3
149.13254	4.4
155.01022	53.1
157.74977	4.7
173.02003	6.6
247.24207	7.3
261.50317	4.7
265.25311	19.7
339.28949	100.0
339.33008	5.0
437.35153	7.2
461.42325	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	437.2665
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
51.09620	5.4
53.47971	4.4
55.05504	36.8
57.03419	16.2
57.07074	9.3
61.92017	4.2
65.68793	4.0
67.05494	60.9
69.01735	5.1
69.07056	56.1
70.50999	4.2
71.08591	7.2
79.05466	18.9
81.07053	70.3
83.08614	42.2
91.05458	5.4
93.07037	22.1
95.01326	15.1
95.08601	62.4
97.06516	7.9
97.10160	23.8
98.98458	75.4
105.07048	7.2
107.08579	16.7
109.10137	28.5
111.11722	12.2
115.18568	6.9
118.53252	4.8
121.10146	23.9
123.11671	14.6
128.88301	5.6
133.10107	5.5
135.11705	18.6
137.13239	6.8
141.01888	8.5
149.16209	5.4
155.01079	42.2
156.92061	5.8
167.59824	5.5
261.22122	15.1
265.25314	21.0
339.28943	100.0
371.00912	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	437.2896
Annotation	Lancifodilactone F
Peak:m/z	Relative Intensity
55.05494	16.6
57.07053	7.1
67.05490	29.2
67.37325	3.3
69.07061	29.3
70.55433	3.5
71.04951	3.4
74.62366	3.2
79.05515	4.4
81.07050	45.7
83.08621	22.9
85.06574	3.3
89.03889	7.0
93.07040	5.5
95.08605	42.3
97.10183	17.8
109.10181	17.4
117.03391	3.9
123.11694	15.5
135.04437	17.7
137.05934	5.4
145.02875	7.8
147.88083	4.0
163.03888	100.0
181.05048	9.6
186.05540	8.4
239.23869	5.4
257.24683	9.9
437.27411	5.4
447.52075	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	437.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	8.5
57.07064	62.9
60.00206	6.0
65.10248	6.0
69.07065	14.6
71.08615	32.8
84.08466	6.5
85.10167	28.3
89.06018	100.0
98.98446	11.6
104.50427	6.4
104.62718	6.5
118.30646	6.6
130.08633	33.4
133.08588	60.5
177.11214	11.2
195.12422	7.6
329.66556	7.2
339.28806	11.0
347.88715	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	438.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
62.28359	1.5
67.05479	1.5
72.39381	1.7
86.87065	1.6
88.79350	1.6
91.05453	2.8
93.07013	3.3
94.06556	2.0
107.08611	4.2
117.06999	4.4
125.25118	1.6
133.01237	1.7
134.09648	75.9
148.11188	9.8
160.07535	3.5
162.09126	27.9
175.13530	1.9
176.10728	15.9
204.10178	100.0
222.11212	10.0
259.86719	2.2
384.42203	2.0
387.29221	1.9
420.12064	17.1
438.13150	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12500	4.3
70.06577	44.7
80.04980	5.7
106.06561	5.9
116.07067	26.5
135.04398	14.5
159.04364	8.1
163.48782	5.3
183.24521	5.9
189.06929	6.1
191.08487	27.5
203.08647	8.5
207.08139	6.9
219.08020	32.5
231.08127	9.2
235.07475	12.2
247.07484	19.4
249.09373	6.2
259.07565	7.8
265.08582	14.9
275.06918	17.8
277.08658	10.9
305.07907	29.2
334.11053	6.6
408.14496	28.6
420.14182	49.9
438.15521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	6.0
57.03424	13.7
59.90034	1.5
61.02913	10.9
65.03916	2.6
67.05494	100.0
68.05862	1.7
69.03420	35.5
69.07024	2.7
71.01340	3.9
71.04977	3.9
73.02905	61.5
79.05487	2.4
81.03412	7.0
81.06672	1.6
81.07056	12.9
85.02893	80.5
87.04453	4.2
91.03956	2.6
91.05467	1.9
93.07025	3.3
95.08607	2.1
97.02885	44.7
99.04449	4.0
103.03954	2.6
105.07043	2.3
106.87016	1.9
107.08604	4.1
109.02885	9.5
109.10148	90.7
115.03912	20.9
119.08567	2.3
127.03912	19.0
133.04962	20.2
135.89063	2.2
141.05476	2.8
145.04955	22.1
149.09634	5.9
150.07648	3.2
157.81873	2.3
163.06007	8.8
168.06532	2.3
209.20218	1.9
223.06006	3.2
241.06851	4.5
259.08105	5.0
286.76343	2.0
384.84406	2.4
432.46759	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	4.1
56.15838	2.0
56.59654	1.9
57.03429	20.5
60.97860	2.1
61.02919	4.6
65.03905	2.2
67.05495	100.0
69.03422	47.3
71.79550	2.5
73.02905	25.5
74.68099	2.3
79.05469	4.1
81.03412	2.4
81.07033	13.7
85.02893	47.2
87.04462	26.0
93.55038	2.4
95.08583	4.6
97.02891	40.1
99.04475	2.9
109.02866	2.7
109.10150	89.7
112.82816	2.8
115.03919	38.8
116.34889	2.9
127.03917	8.5
133.04964	22.3
145.04979	12.6
150.07672	6.1
163.05952	2.8
218.98651	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	438.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92101	6.4
55.05511	10.4
62.24110	7.8
66.60021	7.4
67.05518	16.1
69.07083	10.5
79.05501	8.8
81.07039	46.2
91.05505	37.5
93.07085	24.9
95.08627	39.9
99.48472	8.1
105.07018	41.0
107.08664	23.2
109.10194	16.5
117.07052	23.1
119.08607	18.7
120.30770	8.3
121.10156	13.7
129.07053	10.9
131.08614	35.0
133.10158	19.9
138.19936	9.3
143.08601	17.3
145.10170	20.7
147.11682	10.5
155.08536	9.3
157.10204	25.9
159.11673	50.2
161.13277	19.0
169.10179	10.3
171.11716	27.8
173.13309	9.6
183.11786	13.9
185.13347	14.5
197.13211	11.7
218.24329	11.0
253.19514	42.1
263.18042	24.4
271.20447	19.7
281.18887	77.1
299.19989	100.0
303.93378	9.3
304.00842	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	438.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	8.1
56.85054	3.5
57.07063	5.5
59.84734	4.0
64.56846	4.3
67.05484	16.3
69.07034	8.6
79.05472	15.8
81.07029	42.6
91.05492	30.1
93.07026	33.4
95.04971	5.8
95.08588	48.3
104.28857	4.2
105.07005	31.7
107.08582	16.8
109.10148	17.2
117.07026	16.2
119.08572	22.9
121.10159	11.9
123.11650	7.9
129.07036	9.1
131.08557	30.8
133.10153	12.3
135.11601	5.9
137.05957	33.3
143.08559	20.3
145.10126	24.8
147.11676	10.5
149.13249	7.8
155.08569	13.2
157.10092	22.2
159.11693	14.5
161.13170	29.0
163.07568	4.5
169.10106	13.2
171.11717	16.5
173.13310	11.9
175.07584	5.5
175.14827	9.9
177.09129	12.6
183.11665	15.4
197.13260	21.3
203.10707	8.1
207.11635	10.2
211.14766	8.1
213.16441	18.6
217.12233	16.8
219.24832	4.8
225.12712	11.7
225.16457	5.1
229.12262	7.4
234.48795	5.0
243.13702	6.4
253.19495	49.7
263.17923	12.7
281.18979	78.8
299.20053	100.0
459.25250	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	438.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	7.2
67.05494	19.7
69.07059	12.0
69.32237	6.4
78.90083	7.4
79.05473	8.4
81.07046	63.3
82.26067	6.7
83.08605	8.3
91.05463	41.0
93.07049	23.8
95.08609	30.0
105.07019	28.2
107.08607	21.2
109.10165	16.6
117.06999	15.3
119.08598	18.0
121.10107	12.9
124.67587	7.1
128.06235	7.1
129.06975	8.0
131.08585	46.2
133.10150	17.4
143.08586	18.1
145.10129	27.5
147.11624	8.5
149.13319	14.4
153.20679	6.9
155.08562	7.8
157.10123	25.2
159.07997	7.9
159.11711	30.9
161.13222	17.5
169.10100	16.4
171.11717	20.8
171.90572	8.2
173.13193	16.1
175.07596	8.4
177.09062	10.0
185.13246	12.3
197.13278	16.2
225.12743	9.4
253.19423	56.9
271.20639	24.0
278.57120	9.8
281.18967	60.0
299.20004	100.0
417.36697	8.4
446.76883	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	438.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	19.5
57.03422	14.5
57.07065	9.6
66.91678	6.2
67.05488	11.4
69.07045	30.0
70.57191	5.6
79.05465	8.7
81.07049	18.5
83.08606	24.9
95.08563	16.0
97.10170	12.2
100.02646	5.8
109.10162	8.2
109.33473	6.4
135.11707	7.9
138.67708	6.8
153.35075	7.0
192.87912	7.6
257.62897	7.4
297.24222	100.0
368.74619	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	438.285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	16.3
59.37238	8.1
61.75588	8.3
64.89765	8.0
70.06570	38.3
85.34471	9.1
88.07628	40.2
102.09163	35.3
113.54713	9.8
149.02325	91.3
154.34746	10.1
185.97586	9.4
193.04924	59.5
213.87880	11.9
215.29794	12.1
228.23257	86.3
237.07573	100.0
387.92603	12.5
438.28769	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	438.285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	16.3
59.37238	8.1
61.75588	8.3
64.89765	8.0
70.06570	38.3
85.34471	9.1
88.07628	40.2
102.09163	35.3
113.54713	9.8
149.02325	91.3
154.34746	10.1
185.97586	9.4
193.04924	59.5
213.87880	11.9
215.29794	12.1
228.23257	86.3
237.07573	100.0
387.92603	12.5
438.28769	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	438.2976
Annotation	phosphoethanolamine (P-16:0)
Peak:m/z	Relative Intensity
54.22499	5.5
55.05499	22.3
57.07064	17.5
58.26616	5.5
58.64471	6.6
62.06079	100.0
69.07056	42.0
74.64010	7.0
77.08025	6.5
81.07044	11.1
83.08604	24.6
95.08569	12.8
97.10150	22.3
98.98466	31.2
123.18810	7.2
126.55244	7.6
137.05975	9.8
173.02164	29.6
177.09116	8.4
238.13057	8.3
395.25586	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	438.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56678	3.3
55.99784	3.6
56.59373	3.5
57.06798	7.5
57.07067	100.0
59.23242	3.8
62.18873	3.9
64.84563	4.0
65.13918	4.5
66.44990	4.0
69.07056	7.7
71.08616	74.0
72.44440	3.7
81.70222	4.3
85.10175	51.3
89.06017	75.3
99.11706	6.6
117.37425	4.2
130.08620	8.7
133.08580	51.0
150.04408	4.8
151.09625	6.0
177.11226	13.1
239.14868	40.6
332.35678	5.9
418.99979	6.2
421.35217	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53014	1.6
65.04995	1.6
70.06566	2.4
73.25426	1.5
76.15546	1.5
82.00089	1.7
84.04453	2.1
85.90643	1.7
86.09678	5.7
95.01051	2.2
99.96558	1.7
106.99593	1.9
111.26554	1.8
113.02102	3.3
130.58862	1.7
136.07555	5.4
162.43307	2.0
164.51160	2.0
185.04146	4.3
202.05992	4.3
212.99278	1.9
279.23367	2.0
313.96057	2.2
367.28522	2.3
439.15701	100.0
440.16071	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	439.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57104	2.8
55.05485	2.8
55.09909	3.0
56.96553	6.7
81.07046	5.4
83.04995	6.0
84.96009	3.1
85.02905	4.7
87.49989	3.3
91.05467	13.9
93.68446	3.1
96.08810	3.1
117.89249	3.1
119.04935	12.5
128.74783	3.1
147.04416	49.9
148.04749	7.5
171.81377	3.5
303.04901	39.4
304.05298	7.0
377.01483	4.4
383.42459	3.7
400.03491	5.2
439.19318	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57104	2.8
55.05485	2.8
55.09909	3.0
56.96553	6.7
81.07046	5.4
83.04995	6.0
84.96009	3.1
85.02905	4.7
87.49989	3.3
91.05467	13.9
93.68446	3.1
96.08810	3.1
117.89249	3.1
119.04935	12.5
128.74783	3.1
147.04416	49.9
148.04749	7.5
171.81377	3.5
303.04901	39.4
304.05298	7.0
377.01483	4.4
383.42459	3.7
400.03491	5.2
439.19318	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62521	3.0
55.02990	3.4
57.07063	34.7
60.56254	3.3
62.25940	3.1
63.42585	3.8
67.05490	9.7
70.06233	5.5
70.06580	61.7
72.08146	78.3
81.03392	4.2
81.07047	5.6
85.02873	4.4
85.99461	3.6
97.07638	34.8
108.08111	9.7
109.10104	7.4
112.08709	8.0
113.09499	3.4
114.10287	100.0
119.46073	3.3
134.09651	4.6
135.72516	4.4
138.09117	4.0
148.11176	31.4
149.12013	7.8
162.12752	34.3
163.13574	11.4
163.26733	3.9
175.03188	4.9
192.13829	14.5
194.15421	10.4
199.88809	4.2
223.80367	4.7
248.20018	20.2
290.22235	26.0
307.24969	34.3
351.23911	10.3
389.15585	4.0
395.22708	23.2
439.15811	12.9
439.21689	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32815	1.7
64.59636	1.9
81.49057	2.1
89.06016	6.2
94.72942	2.0
98.32706	2.0
116.48475	2.3
133.08569	4.5
142.11670	2.4
182.93718	2.4
187.03688	3.7
239.14868	7.0
275.19888	16.1
373.29703	2.5
439.24533	100.0
440.25104	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	439.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60189	2.0
82.05499	2.2
112.04951	2.8
114.03631	2.3
120.69127	2.1
122.30827	2.5
137.49265	2.8
172.91460	2.3
187.03601	4.1
216.45970	3.3
275.19809	21.1
341.39325	2.6
439.18335	5.3
439.24503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07561	1.7
53.24515	2.7
66.17057	2.2
72.21632	2.5
73.89239	2.3
86.37498	2.5
172.05280	2.4
187.03720	6.1
199.17879	2.8
238.82440	3.5
266.65726	3.0
275.19772	16.4
290.54501	2.7
439.24548	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90918	2.0
54.96776	1.8
57.07061	2.1
76.79477	2.2
92.64033	2.2
137.54886	2.5
173.42261	2.7
187.03638	3.1
275.19754	14.1
439.24530	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78348	2.4
56.22950	2.1
60.18860	2.0
63.43541	2.5
73.47436	2.8
73.69441	2.2
89.79008	2.5
91.71077	3.7
98.52145	2.3
102.81555	2.8
124.56113	2.8
127.87655	2.9
164.51398	2.8
187.03662	3.1
233.42572	2.8
275.19818	13.7
366.97980	3.1
439.24493	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86656	1.6
62.12370	1.9
63.30835	1.7
64.86510	1.7
89.06011	6.2
99.79345	2.2
115.58214	1.9
133.08609	3.4
139.35039	1.9
187.03534	3.3
239.14763	2.6
275.19781	11.4
308.82455	2.6
348.88684	2.1
384.58896	2.4
439.24518	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07036	2.1
57.74780	2.1
58.66617	2.6
67.48112	2.7
72.08128	2.4
75.42253	2.4
91.59031	2.5
215.48849	3.2
245.33389	3.2
275.19913	14.0
331.74866	3.4
346.82318	3.8
388.31458	3.2
439.24496	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
62.15117	5.1
79.78511	5.1
89.06020	22.0
92.11979	5.1
93.66034	5.2
127.32812	6.9
133.08585	9.0
164.12552	5.9
169.13747	7.0
237.06749	6.6
239.15024	25.2
264.84793	6.0
275.19882	18.9
424.31116	7.5
439.24451	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	22.3
67.05486	58.7
69.02489	15.5
69.03387	17.7
70.79744	17.1
75.93715	14.9
79.05473	57.5
79.70829	17.7
81.07051	55.4
83.08591	22.3
85.02884	40.5
91.05484	76.5
93.07047	100.0
95.04930	30.9
95.08590	51.0
100.11228	18.8
105.07023	70.5
107.08613	32.0
109.10152	30.5
117.06985	19.6
119.08575	57.2
120.26597	19.6
121.10149	30.9
131.08565	22.7
131.16817	19.4
133.10107	51.5
135.11687	22.8
154.57338	20.7
159.11696	23.2
259.20633	32.1
301.93335	19.5
350.98981	19.4
403.24557	22.6
418.25735	21.5
421.24966	23.3
439.24619	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	439.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	22.3
67.05486	58.7
69.02489	15.5
69.03387	17.7
70.79744	17.1
75.93715	14.9
79.05473	57.5
79.70829	17.7
81.07051	55.4
83.08591	22.3
85.02884	40.5
91.05484	76.5
93.07047	100.0
95.04930	30.9
95.08590	51.0
100.11228	18.8
105.07023	70.5
107.08613	32.0
109.10152	30.5
117.06985	19.6
119.08575	57.2
120.26597	19.6
121.10149	30.9
131.08565	22.7
131.16817	19.4
133.10107	51.5
135.11687	22.8
154.57338	20.7
159.11696	23.2
259.20633	32.1
301.93335	19.5
350.98981	19.4
403.24557	22.6
418.25735	21.5
421.24966	23.3
439.24619	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	440.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73663	1.5
54.58880	1.6
62.53387	2.2
81.03429	2.6
109.02869	5.4
123.04411	5.7
127.03897	8.6
136.06183	100.0
139.03909	7.4
151.03912	15.0
155.03375	8.7
179.03444	5.7
203.38298	2.2
245.04393	2.9
260.21698	2.2
277.06961	2.8
287.05472	9.9
289.10611	3.1
313.80368	2.6
464.94348	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47929	3.0
57.07064	31.9
62.40087	2.7
68.56427	3.0
82.34417	3.1
91.57239	3.5
105.07059	3.9
109.43203	3.4
109.78282	3.8
138.61670	3.6
149.02295	5.2
173.05937	7.9
175.07416	3.8
201.05417	6.3
203.06900	3.9
219.06596	4.8
239.10588	4.2
247.06091	4.9
257.11725	7.0
275.05447	8.9
286.19135	4.3
331.11920	6.9
349.12991	15.0
352.39090	4.7
377.12320	6.0
440.15482	100.0
441.13791	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52088	4.3
56.26278	4.6
57.79312	5.1
79.80082	5.1
83.91298	4.9
90.73853	5.4
91.35548	5.2
143.08537	6.7
155.08516	7.0
169.06476	18.2
179.78249	6.8
185.06032	8.5
195.11757	9.3
211.11330	9.0
213.12704	7.7
217.08589	8.7
230.75385	6.9
240.51521	6.0
241.12277	9.4
259.13248	8.3
267.10132	9.4
269.11755	9.2
271.13083	14.1
285.11194	14.6
297.10992	6.4
313.10602	14.9
315.12347	10.9
331.11728	16.3
359.11218	28.6
359.96182	7.5
377.12326	90.7
413.79843	6.8
414.73355	7.2
423.12778	26.7
440.15405	92.0
441.13882	100.0
462.91162	6.7
464.15372	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	40.9
58.39420	5.8
97.30194	6.3
98.84431	5.8
101.37030	5.5
137.19894	7.0
146.07289	19.5
157.20772	7.3
173.05957	8.3
201.05582	8.2
243.10112	8.1
247.05997	13.7
321.13367	13.4
364.43893	7.4
423.12820	11.1
440.15527	100.0
441.13843	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	12.0
55.05510	11.9
57.03436	14.0
61.02939	12.7
69.03422	40.4
69.07058	64.8
69.07363	5.6
71.01370	7.6
73.02908	76.3
81.03430	10.1
85.02892	100.0
91.75714	4.7
97.02893	51.5
103.03973	6.9
109.02896	10.0
111.11767	18.4
115.03904	25.6
127.03911	26.1
133.04962	23.0
145.04932	29.8
163.06036	10.8
177.72572	4.8
238.17953	4.5
241.07214	6.3
259.08109	5.0
353.80960	5.2
394.08282	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	440.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.5
55.05493	7.0
57.03432	23.3
57.03667	4.0
57.07041	3.4
59.04990	4.5
69.03419	100.0
69.06685	4.5
69.07062	87.4
73.02918	5.5
75.04459	5.0
79.05476	4.3
80.44431	3.7
81.03385	5.5
85.02894	95.0
85.03374	8.7
87.04458	55.6
97.02882	81.5
99.04452	4.9
111.11703	31.1
115.03917	83.7
125.08707	5.0
127.03910	9.3
133.04955	75.8
145.04955	24.4
150.07648	12.5
155.91658	4.3
163.05994	6.7
184.88968	4.7
205.23555	4.7
206.07304	4.7
300.38266	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	2.2
51.16915	2.2
51.79145	2.6
55.01867	6.8
55.05516	7.8
57.03439	23.2
59.05002	2.8
61.02928	10.0
69.03420	41.2
69.07058	82.6
71.01373	5.4
71.05021	4.2
73.02907	62.5
81.07074	5.0
85.02895	100.0
87.04524	4.0
91.03941	3.5
96.08192	4.1
97.02884	64.0
97.03455	5.2
99.04423	4.2
109.02887	7.8
111.11702	19.2
111.82400	3.5
111.94238	2.8
115.03912	29.4
127.03924	25.2
127.40441	3.4
133.04964	24.7
138.12830	5.2
145.04974	29.9
147.16692	2.8
153.92516	2.7
163.06085	12.5
167.10577	3.8
186.19261	2.9
223.06119	5.3
241.07098	7.5
241.22107	3.7
259.08130	7.5
288.76932	3.3
290.54883	4.0
291.18024	3.5
295.10529	4.1
341.13153	3.4
345.51459	3.5
393.50952	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	440.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
53.91111	1.0
54.63307	1.3
55.01856	5.9
55.05500	7.2
56.90583	1.3
57.03164	1.2
57.03430	17.9
57.07067	2.1
58.81800	1.2
59.41096	1.1
60.08133	1.3
61.02916	12.1
67.05486	4.4
69.03422	43.0
69.07060	69.4
70.06616	1.6
71.01342	4.4
71.04987	2.0
73.02908	64.4
79.05442	1.5
81.03410	9.0
81.07044	4.2
83.04980	1.4
85.02898	100.0
87.04457	6.0
91.03937	2.3
91.05494	2.1
93.07021	2.4
95.04961	2.1
95.08612	2.0
97.02887	54.7
97.06546	1.8
99.04449	5.2
99.40208	1.2
101.02385	1.3
103.03951	3.8
105.07011	1.9
107.08595	2.0
109.02865	9.5
111.11716	24.0
115.03919	25.4
115.94837	1.3
123.11674	3.0
126.02455	2.1
127.03088	2.7
127.03922	25.5
132.06575	1.3
133.04964	24.6
135.11679	1.4
145.04968	28.1
147.04393	1.9
148.93092	1.3
150.07687	1.4
153.12753	1.3
156.01050	1.4
163.06003	11.7
189.42778	1.4
204.08733	2.4
223.06020	4.6
225.14845	2.0
241.07101	3.8
259.08194	7.7
294.87689	1.5
396.22876	1.7
424.49213	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	440.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57265	6.2
55.05495	8.7
55.25150	7.0
56.91357	6.9
57.03431	9.5
57.07058	11.2
67.05491	13.0
70.06583	51.5
71.04991	8.2
72.08138	15.8
76.49043	7.2
80.19389	7.9
81.07066	24.9
83.04977	17.1
85.02884	24.7
85.06544	13.0
91.05476	8.4
92.98134	7.2
95.04970	14.8
95.08623	22.8
99.04463	27.1
109.06495	11.1
109.10116	43.1
119.08588	17.3
121.10181	18.3
123.08093	11.8
125.09630	14.2
127.11192	36.1
127.73151	8.0
137.09575	10.9
137.13206	12.1
138.59222	8.5
147.11688	21.7
149.09612	8.2
161.13245	10.9
163.11267	16.8
165.12756	25.8
198.49152	9.9
207.13879	34.5
208.83292	9.8
218.64928	8.9
225.14864	100.0
243.15974	33.4
278.82608	8.6
454.89145	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	440.277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97916	12.6
53.83803	14.4
57.07053	51.4
59.28770	11.6
62.06085	45.2
71.08633	21.6
78.68277	14.0
112.33997	14.4
120.19128	14.0
120.77501	15.8
123.00990	15.4
125.52598	13.9
286.51547	16.4
299.25781	100.0
440.24847	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	440.277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	7.8
57.07066	23.1
62.06081	31.6
67.05470	4.6
69.07056	9.3
71.08621	14.7
81.07050	13.5
83.08669	4.9
85.10178	10.0
95.08599	7.9
179.41283	5.4
268.26468	5.9
299.25754	100.0
405.54449	6.3
440.24832	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	440.277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67691	1.9
55.05496	4.7
57.03431	10.5
57.07065	30.2
60.82582	1.7
63.22912	1.7
65.94273	1.6
67.05482	8.1
68.50452	2.0
69.07063	11.5
71.08623	14.5
71.28123	1.7
76.94487	2.0
81.07021	10.4
83.08604	5.6
85.10163	10.9
95.08601	19.4
97.10151	4.8
105.81979	1.9
106.45029	1.9
109.10155	8.0
111.11691	2.0
113.00375	2.0
127.02486	2.0
130.22151	2.4
284.47894	2.5
295.60410	2.4
299.25754	100.0
300.26282	2.8
306.68011	2.3
352.43011	2.2
440.25058	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	440.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32956	2.8
55.16663	2.4
57.07070	38.5
69.07056	2.5
71.08620	35.6
71.08978	4.2
73.06541	6.8
83.08625	3.3
85.10181	30.1
85.90017	2.7
87.13597	3.1
89.06023	100.0
118.84892	2.7
127.08162	3.5
130.08601	19.4
133.08601	48.3
141.16420	3.2
152.74690	3.3
177.11250	14.9
229.21677	9.7
239.28191	3.9
247.00395	4.0
283.17575	13.7
357.78647	4.6
423.33160	20.0
440.24866	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	441.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	66.6
57.07058	10.1
69.03408	7.1
70.06586	80.5
72.08147	19.2
78.16505	5.7
79.86936	6.2
80.04358	5.8
84.04423	7.0
84.08138	11.6
84.96014	14.6
85.02929	5.9
85.06462	7.2
86.09657	11.2
98.97581	93.0
103.05434	15.9
109.89088	7.6
110.97580	28.3
116.07080	10.5
116.98626	49.5
128.98593	40.7
129.67700	6.8
130.81770	6.7
131.04936	80.6
134.99663	22.0
140.00198	73.2
146.61304	6.8
146.99673	32.5
150.96809	6.3
152.00186	42.7
158.01247	33.6
163.07556	21.1
170.01248	32.8
170.99713	15.7
171.61531	7.9
181.02821	36.2
193.02898	31.1
200.02383	9.0
212.02322	24.9
213.12483	9.4
219.01703	35.2
222.02048	21.5
223.03926	9.1
236.02386	12.3
237.02739	59.4
240.03004	11.3
242.03349	80.6
260.04346	72.7
267.87772	8.9
268.05435	7.9
283.05948	100.0
363.07410	19.3
381.08273	13.2
399.09644	17.7
404.10156	22.7
422.11102	59.8
441.10617	69.9
441.20563	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	441.116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67855	4.2
59.61485	4.5
67.91820	4.7
86.42884	4.2
91.05515	7.5
106.23299	4.8
107.04943	100.0
107.05597	7.7
107.40874	4.9
107.66692	4.8
121.06458	26.9
123.04460	23.8
133.06546	7.4
139.03932	20.4
139.43155	5.1
151.03906	15.3
151.07533	36.9
151.13654	5.9
177.05573	13.8
196.30371	5.2
219.34077	5.1
254.50543	6.2
391.25500	5.3
441.11905	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	441.116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67855	4.2
59.61485	4.5
67.91820	4.7
86.42884	4.2
91.05515	7.5
106.23299	4.8
107.04943	100.0
107.05597	7.7
107.40874	4.9
107.66692	4.8
121.06458	26.9
123.04460	23.8
133.06546	7.4
139.03932	20.4
139.43155	5.1
151.03906	15.3
151.07533	36.9
151.13654	5.9
177.05573	13.8
196.30371	5.2
219.34077	5.1
254.50543	6.2
391.25500	5.3
441.11905	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	441.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
85.11279	1.8
151.03906	2.9
255.17531	2.7
441.13614	100.0
469.74930	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	441.1365
Annotation	Ginkgolide C
Peak:m/z	Relative Intensity
50.78585	2.7
69.85148	3.2
70.06602	4.0
70.56497	2.8
77.54573	3.5
87.84457	3.4
172.40955	4.3
209.55226	3.7
260.20944	3.9
441.13608	100.0
441.26755	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	441.1391
Annotation	Ginkgolide C
Peak:m/z	Relative Intensity
51.06695	5.0
51.13916	5.4
53.03965	5.2
55.05503	8.1
57.07062	21.3
67.05492	14.1
69.07059	8.4
69.12720	5.6
70.06585	65.9
72.08154	37.9
75.33629	5.8
79.05470	8.6
81.03413	6.9
81.07034	18.5
85.02911	6.9
86.09699	100.0
91.05482	11.7
93.07044	7.5
95.08597	9.5
97.02872	9.8
97.84631	6.2
105.07030	17.6
107.08593	10.0
116.07092	32.5
118.21819	6.7
120.08099	23.0
121.06500	11.1
129.06847	8.3
131.08679	6.9
133.06509	13.7
136.06186	39.6
145.10092	7.2
147.08084	9.0
149.05974	10.3
151.03934	8.6
173.05975	8.3
177.05455	44.9
185.16508	20.6
195.02925	16.6
201.05450	8.6
203.05251	8.7
205.04907	19.8
213.16005	34.1
229.15598	17.0
233.04471	12.7
251.05597	20.3
257.04532	7.7
271.46497	7.6
287.03790	24.1
289.05200	16.3
325.05524	23.6
349.13123	8.6
422.24203	9.5
441.17020	13.2
441.25772	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	441.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06838	5.7
57.07069	70.3
69.03420	10.5
71.08620	7.5
78.39870	4.3
79.05490	5.1
81.07069	5.6
83.01335	8.9
83.04961	5.5
83.08651	4.6
91.05469	16.3
91.71658	5.7
93.07034	9.2
95.01316	5.1
95.04954	10.1
97.02880	10.1
105.07022	16.5
107.04971	8.8
107.08558	8.2
109.02857	10.3
111.08050	7.4
115.05490	10.7
117.07001	8.9
119.04932	8.9
119.08601	5.7
121.02873	9.9
121.06529	12.5
123.04432	9.3
133.06497	10.5
135.04430	15.1
139.03926	10.6
145.06476	8.6
145.10150	6.7
147.04436	10.6
147.08023	8.8
149.02408	9.9
149.05989	20.9
151.03969	8.5
157.06467	7.0
159.08174	5.9
161.05975	14.4
163.03896	12.1
165.01852	10.7
167.03419	9.0
173.06047	13.8
175.07562	19.2
177.05446	78.5
185.05968	6.8
187.03944	6.2
189.05466	12.7
191.03436	18.9
193.04942	5.6
195.02878	50.0
201.05530	19.4
203.06989	16.4
205.04948	42.0
212.05826	5.0
213.05402	6.3
217.08609	7.0
219.02896	8.3
219.06548	11.6
229.04869	11.2
231.06410	9.4
233.04446	23.0
247.06097	17.5
251.05478	31.8
257.04471	7.7
265.07108	8.4
275.05444	13.1
279.04974	10.7
293.06448	11.8
303.12256	5.7
305.13879	5.9
307.04483	11.2
311.07602	7.2
321.13229	13.0
325.05487	100.0
325.09125	7.8
349.12689	17.7
353.05011	13.0
366.13062	7.2
367.14020	18.3
371.05951	9.5
377.12436	16.3
395.13412	10.5
405.06403	6.5
441.13602	6.5
457.61118	6.5
459.14890	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12709	3.4
56.96561	23.7
74.12927	4.3
80.01613	3.7
81.07037	28.1
84.96028	9.6
95.08560	5.4
98.97574	100.0
101.52722	3.7
107.03402	3.7
110.97559	6.7
112.99152	6.5
116.25124	4.1
116.98626	46.1
129.35579	3.6
131.00171	14.7
134.99652	10.3
137.13287	4.9
140.00186	55.9
146.99574	5.7
149.01190	9.1
152.00195	13.5
154.01724	20.1
158.01253	22.2
158.99634	34.7
172.02751	9.8
173.01265	15.0
177.00699	16.5
181.02859	12.2
182.01216	6.0
189.00726	6.2
191.02325	8.0
195.04449	10.3
200.02324	30.8
201.00697	5.7
214.03857	28.2
219.01733	11.4
237.02872	8.7
242.03421	17.0
260.04459	9.6
283.05862	5.4
355.14236	52.6
355.18124	6.1
373.15311	24.3
396.16840	22.9
397.15399	38.6
415.16241	8.4
441.14935	15.5
441.20779	7.9
441.55795	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	23.2
63.80594	4.9
65.80362	5.2
77.78160	5.8
81.07033	32.5
84.96019	15.9
95.08588	6.9
97.96824	6.7
98.97569	100.0
112.99120	14.0
114.71102	6.9
116.98587	40.3
125.98680	7.8
128.98570	9.1
131.00156	14.6
140.00183	51.0
154.01729	15.5
158.01262	15.6
158.99663	34.0
172.02806	10.2
173.01280	21.6
177.00717	11.4
181.02881	7.6
195.04326	8.3
200.02301	17.9
204.90741	7.0
214.03790	11.3
219.01733	8.1
262.58084	7.0
268.01276	7.1
271.68311	6.3
334.65067	8.0
355.14084	34.2
373.15433	17.5
396.16934	26.3
397.15305	44.8
415.16193	10.6
441.15262	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	441.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	23.2
63.80594	4.9
65.80362	5.2
77.78160	5.8
81.07033	32.5
84.96019	15.9
95.08588	6.9
97.96824	6.7
98.97569	100.0
112.99120	14.0
114.71102	6.9
116.98587	40.3
125.98680	7.8
128.98570	9.1
131.00156	14.6
140.00183	51.0
154.01729	15.5
158.01262	15.6
158.99663	34.0
172.02806	10.2
173.01280	21.6
177.00717	11.4
181.02881	7.6
195.04326	8.3
200.02301	17.9
204.90741	7.0
214.03790	11.3
219.01733	8.1
262.58084	7.0
268.01276	7.1
271.68311	6.3
334.65067	8.0
355.14084	34.2
373.15433	17.5
396.16934	26.3
397.15305	44.8
415.16193	10.6
441.15262	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	441.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06580	4.7
86.09698	7.8
91.71036	5.3
136.06189	5.4
194.99782	4.2
203.05284	6.5
245.06331	10.5
289.05286	100.0
397.18411	6.5
441.17191	99.5
464.32312	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	441.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	17.1
59.26861	8.6
63.31452	7.8
67.05489	16.2
81.07031	17.8
83.01336	11.1
91.05448	13.5
91.70969	10.1
95.04977	11.3
95.08593	30.2
95.65370	8.2
105.07044	13.1
111.08024	13.2
113.09651	14.2
119.08595	28.4
131.08504	10.8
145.10172	13.4
152.89078	9.1
157.10097	12.9
159.11847	12.4
197.09563	12.0
215.10860	9.6
220.33588	9.7
249.07564	21.3
253.12167	14.9
285.15750	11.1
299.12726	20.1
317.13873	21.8
319.15573	14.4
345.13278	40.5
356.59808	10.4
391.13889	11.2
409.14911	38.2
427.16116	100.0
441.20483	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54942	5.5
62.69796	5.8
62.81494	5.7
63.64587	5.8
67.30684	6.7
69.03414	5.9
70.06577	8.7
78.52312	6.2
78.71884	7.5
81.03409	6.0
84.04485	12.2
96.04489	21.0
98.06066	16.4
103.05473	8.2
105.46126	6.6
107.04940	31.8
109.02792	7.2
110.07172	7.9
110.08796	7.6
120.08092	84.9
126.05532	27.9
131.15239	7.1
138.05513	100.0
144.06587	22.9
149.05972	16.1
166.08572	41.1
168.06570	28.4
175.79471	6.8
179.16403	7.2
180.51767	6.4
186.07565	36.5
223.45317	7.0
255.75206	8.1
276.10843	35.8
441.23679	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1907
Annotation	Fuscaxanthone D
Peak:m/z	Relative Intensity
52.41601	4.0
57.07066	38.5
77.04311	4.7
78.13534	4.7
79.05463	5.0
81.07009	6.1
83.04988	5.4
85.06532	15.2
95.04971	6.7
98.19016	5.7
102.47242	5.7
105.56904	5.1
110.03569	4.8
131.04892	10.4
133.06445	6.9
136.25774	6.2
137.05951	15.6
138.03154	8.2
144.69566	5.3
153.05455	100.0
156.61180	5.0
175.07564	6.0
177.05464	6.4
206.09117	5.4
210.68515	5.5
212.05814	5.5
225.12817	12.0
240.07962	7.1
253.12117	26.7
261.09201	7.4
263.00189	5.7
271.13382	18.9
275.10858	6.3
283.13345	12.0
309.11203	11.4
321.11142	7.7
323.09100	15.3
339.12274	7.4
423.17929	21.3
441.18930	25.2
443.15192	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	441.1906
Annotation	Ugonin R
Peak:m/z	Relative Intensity
55.77592	5.7
57.07066	100.0
66.82416	6.3
70.47010	5.6
73.51430	7.0
73.60268	7.5
74.85784	6.3
79.05488	7.1
85.06525	28.4
87.34711	7.0
116.94951	7.9
137.06015	20.4
153.05470	75.3
161.05934	18.1
173.59537	8.3
175.07550	18.3
177.05533	9.0
182.07278	9.6
210.06781	9.7
225.12761	18.5
240.07826	13.5
253.12164	45.8
271.13272	28.7
283.13266	34.5
321.11249	9.5
339.12210	14.2
377.17355	16.1
405.16989	30.9
423.17871	25.1
426.17151	8.2
434.78967	8.6
441.18967	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	441.2095
Annotation	Ala His Val Asp
Peak:m/z	Relative Intensity
67.71523	1.2
69.66800	1.2
72.08077	1.1
99.41718	1.2
136.88756	1.5
144.60336	1.3
191.23251	1.6
254.51900	1.6
275.55057	1.6
369.19839	1.6
441.20877	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20003	0.8
52.89482	0.9
63.05544	0.9
63.53939	0.8
67.05486	1.2
80.21215	0.9
85.02878	1.0
91.70892	1.1
91.82661	1.2
93.07026	1.4
107.08588	1.3
123.39359	1.0
441.20880	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36337	10.9
61.61084	11.0
72.81528	12.0
136.06229	22.9
169.94673	17.1
174.56682	15.6
197.80548	18.0
209.14224	16.8
210.70174	16.5
217.37943	15.7
223.89781	16.4
236.24789	16.2
316.03854	17.0
372.93329	17.3
441.22546	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2843
Annotation	Klyxumine B
Peak:m/z	Relative Intensity
55.01871	19.2
55.05487	19.2
57.07048	20.1
64.43668	14.9
67.05482	100.0
69.07055	33.9
75.09161	17.1
76.98406	15.3
79.05482	15.8
81.07046	73.5
84.93491	14.4
85.06518	54.9
90.63831	15.1
91.05466	43.4
91.72800	15.3
93.07034	64.9
95.04929	23.1
95.08579	62.1
97.06506	18.2
105.07021	39.9
107.04933	37.3
107.08578	37.8
111.08073	29.4
119.08567	28.3
121.10149	39.4
125.09641	28.6
131.08655	24.0
133.06464	28.5
135.11659	34.5
145.06532	47.8
147.08035	49.6
151.03912	34.7
151.20126	17.4
159.08098	29.8
173.03516	16.7
175.07651	16.6
178.63257	16.2
191.07002	16.1
208.02133	17.2
225.33713	16.0
226.06383	16.5
237.55180	20.7
351.22925	29.1
369.24274	77.0
387.25220	75.2
441.20847	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	442.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04375	4.3
55.93525	38.0
66.63203	4.6
70.06583	95.6
72.08147	40.8
72.93798	12.1
79.70267	5.2
84.04508	9.1
84.08141	13.0
86.09679	13.8
89.94106	4.8
107.04972	5.5
108.02096	21.6
113.96412	11.0
116.07100	21.2
136.06116	6.8
136.07578	11.6
139.03879	26.4
154.99034	10.4
163.04070	5.8
167.97392	5.8
187.10651	6.8
210.96980	27.8
211.14449	8.5
228.97896	21.9
230.82907	5.9
233.98500	36.6
239.97182	16.4
257.98279	16.8
261.97952	7.4
262.98746	67.9
275.01160	21.4
280.99832	13.2
301.34665	5.9
304.01404	100.0
313.10583	7.1
330.98840	8.8
340.40240	6.0
359.99194	76.5
377.01865	7.5
401.01834	83.8
442.04434	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	442.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15639	2.3
53.90342	2.3
57.07074	15.6
59.75204	2.4
71.08645	4.1
77.78419	2.8
79.05502	3.6
81.07045	3.9
81.71544	3.4
86.29482	3.0
95.04941	5.8
107.04952	23.9
117.07018	5.1
119.04901	3.3
123.04433	3.6
127.07633	3.6
131.08572	3.8
133.06503	3.9
145.06638	3.3
147.08099	4.7
149.06015	5.5
151.03914	7.9
157.06465	7.3
159.08070	7.2
161.05992	9.8
163.07616	4.5
163.90157	3.2
173.05920	3.3
175.07564	6.0
179.03413	7.6
179.07007	3.6
189.05482	5.3
191.06985	7.3
197.04462	7.7
201.05611	3.8
203.07060	9.4
207.06517	7.6
217.04941	4.4
231.06509	5.9
235.05972	7.5
241.12230	3.6
243.13678	3.6
245.04591	5.1
259.13284	6.5
263.05637	4.2
269.11942	5.0
287.12888	7.3
305.13608	5.1
309.06070	56.7
326.49326	3.6
333.13266	8.2
350.13562	9.8
372.71112	3.7
384.10812	3.6
394.17703	3.9
415.84814	3.5
425.14401	23.8
442.17056	90.0
443.15494	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18485	12.9
53.42199	11.8
57.07090	23.8
61.75646	12.0
105.07071	16.9
105.31747	13.9
108.57317	16.2
165.54799	17.1
309.06250	19.4
388.90698	19.6
403.80786	16.8
425.14450	54.4
442.17328	89.3
443.15466	100.0
466.17178	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	442.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.4
57.07069	8.2
81.07036	7.3
89.09939	8.0
91.71579	9.2
93.07041	9.0
101.35081	6.6
105.64131	6.1
111.08086	18.2
113.99907	6.8
119.04955	7.3
133.06497	18.6
159.08034	10.9
161.05948	11.3
161.09665	10.4
169.86661	7.0
171.08122	11.7
186.28122	7.7
187.07671	9.8
213.08929	10.1
231.06674	8.4
243.13686	8.8
245.15335	8.6
259.13235	8.8
287.31198	7.8
297.11295	10.7
309.06073	9.9
324.95923	7.8
333.13443	10.3
342.83813	9.5
361.12988	10.2
379.13916	9.4
386.06253	10.0
400.97629	8.0
425.14322	100.0
442.16919	33.7
443.15417	79.6
466.17007	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04255	16.4
58.24510	17.3
67.26214	16.4
69.74291	16.8
72.50545	24.5
84.50189	22.2
95.57763	20.0
110.72128	19.1
132.22356	24.4
134.76563	19.7
164.64481	26.0
425.14456	70.8
427.00912	34.0
442.16898	64.7
443.15421	100.0
466.16888	40.4
466.37051	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	442.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79395	2.3
55.94972	2.9
58.39139	2.5
72.88223	2.8
93.03399	2.9
97.06693	2.7
97.71130	2.5
102.72877	2.9
105.45628	2.8
110.50693	2.7
137.05960	10.4
139.03883	100.0
152.40666	3.2
157.18936	3.4
169.15302	3.4
183.25348	3.3
190.30859	3.0
224.98495	2.9
263.09177	18.1
452.72000	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	442.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37779	2.2
53.42640	2.2
55.05484	4.1
55.93518	5.9
56.65599	2.7
57.55431	2.5
62.90399	2.9
67.05463	5.2
69.03413	2.8
69.07059	3.1
69.92970	2.6
72.93781	4.1
78.66743	2.7
81.07082	3.8
94.46909	2.8
102.29633	2.6
107.04947	3.5
113.96358	3.5
117.07045	8.9
138.98410	3.8
164.99960	5.1
178.97861	8.0
188.01607	6.0
194.91264	3.4
204.99490	4.0
205.90439	3.4
206.97504	13.8
217.03131	10.9
218.97717	3.4
220.00562	6.0
220.98842	3.6
229.03151	5.5
232.99030	5.0
243.04797	6.8
248.00061	6.8
249.55453	3.5
255.04857	4.2
351.13983	8.2
353.15732	31.7
355.17252	16.7
357.18637	9.7
381.15088	5.3
383.16714	6.6
401.17691	54.8
401.22543	4.5
442.20441	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	11.2
56.05013	7.1
57.03412	5.5
57.07071	4.9
60.04514	47.2
67.05497	28.6
68.06927	4.4
69.07049	18.3
70.06573	12.7
72.04505	7.1
72.55876	5.6
73.50268	5.0
74.06073	15.9
79.05489	27.5
80.47759	4.8
81.03410	29.7
81.07059	32.3
83.04955	7.1
83.08627	12.5
84.04480	9.0
84.75275	4.6
86.09686	9.5
91.05460	33.7
93.07045	34.5
95.08595	31.6
97.02885	7.6
97.06515	10.5
98.98461	49.7
104.60243	5.0
105.07028	15.1
107.04981	7.9
107.08588	18.6
109.10150	12.9
110.06050	7.7
111.04456	4.9
115.90683	5.2
117.07032	11.5
119.08592	22.2
120.08126	6.1
121.06525	8.4
121.10147	24.5
123.08054	5.5
127.03259	14.6
129.07019	6.3
131.08582	16.6
133.10153	17.4
135.08084	8.0
137.09618	9.5
140.01077	100.0
140.02071	8.6
143.08589	8.9
145.10114	7.1
189.16353	8.1
218.03633	7.4
235.16991	15.4
237.74025	5.3
273.18570	8.0
279.19409	8.5
291.19589	52.4
297.94672	5.7
308.22168	42.7
309.06064	14.7
326.23273	44.2
344.24301	54.5
398.24597	7.9
425.14417	11.4
442.16776	23.3
442.22058	16.4
443.15265	27.3
460.64374	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	10.4
57.07064	11.2
59.14544	6.8
60.04518	67.1
67.05495	28.7
69.07040	7.3
70.06578	8.6
71.01372	6.3
72.04482	9.5
74.06064	11.4
77.59053	5.7
79.05481	18.6
80.75680	7.1
81.03406	28.7
81.07047	40.8
82.06006	6.9
82.06568	7.7
83.08607	18.1
86.09697	25.0
91.05467	15.9
93.07045	31.8
93.23685	6.4
94.35088	6.4
95.04952	6.4
95.08594	36.1
97.02872	10.6
98.98463	50.7
105.07034	18.6
107.04916	12.1
107.08599	17.4
109.06567	9.6
109.10152	11.7
111.08067	8.8
117.06992	7.2
119.08596	20.3
120.08103	26.5
121.06528	14.2
121.10168	18.3
131.08524	14.6
133.10138	24.7
135.08066	8.6
135.82463	8.0
136.07596	39.9
137.09679	8.9
140.01074	100.0
145.06490	10.9
145.10152	12.2
147.08128	8.3
151.11154	9.7
157.10153	10.1
159.08037	12.6
161.06017	7.4
161.09720	7.4
222.12537	7.7
235.16914	17.4
235.43031	8.7
241.05008	8.8
252.19611	12.3
290.21295	8.6
291.19394	47.3
308.22244	28.3
315.12305	14.3
326.23282	25.2
344.24393	40.5
378.11905	8.6
425.14215	46.0
442.16974	27.1
443.15579	13.9
466.17032	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	442.228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	7.2
57.07064	7.4
57.10780	1.1
59.05000	1.2
61.02915	0.9
67.69379	1.1
69.03419	26.1
73.02903	2.9
85.02905	15.0
87.04460	19.2
91.71751	1.4
97.02881	17.3
97.90977	1.1
99.22203	1.1
107.04926	2.0
113.09634	97.9
115.03912	22.6
115.08984	1.1
122.74191	1.0
131.10670	100.0
133.04961	12.5
145.04988	2.7
151.07590	1.7
280.72409	1.2
453.10269	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53317	1.2
54.95141	1.3
55.01871	5.6
55.13818	1.5
55.79888	1.2
57.03430	16.2
57.07066	1.9
60.99297	1.3
61.02920	10.7
66.47318	1.5
69.03421	34.6
69.03777	3.1
71.01347	3.4
71.04984	2.6
73.02907	55.5
76.11878	1.5
77.37647	1.4
81.03425	5.8
83.54732	1.4
85.02895	100.0
87.04484	3.3
91.03981	2.9
97.02882	57.2
99.04485	2.6
102.66632	1.4
109.02858	9.3
109.71779	1.5
115.03924	20.7
118.10902	1.4
127.03902	24.9
133.04962	24.8
145.04951	31.6
150.07617	2.7
163.05992	12.6
220.19485	1.7
223.06021	4.6
241.07173	5.4
259.08279	5.0
277.25012	1.9
293.47650	2.0
318.64536	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	442.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.2
56.29874	1.3
57.86261	0.5
63.32708	0.4
63.67729	0.5
65.82392	0.5
81.07016	0.9
83.08627	0.6
93.07142	0.5
94.04014	0.7
119.03545	1.7
136.06180	100.0
136.68712	0.5
137.04604	1.4
137.96152	0.5
144.97514	0.5
150.01772	0.5
209.77126	0.6
278.24329	0.5
294.05438	0.6
405.63983	0.6
442.35394	36.7
443.35355	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72681	4.5
62.30182	4.7
63.36855	6.0
65.09816	4.8
70.91830	5.1
78.11079	5.3
98.97577	10.6
100.38374	6.5
116.98592	13.0
123.09294	7.0
134.99632	10.0
158.01262	9.9
235.00044	8.7
236.18016	5.8
242.24367	6.0
256.43549	6.3
258.01672	7.4
258.99866	27.8
277.01025	25.0
282.01471	15.7
283.00009	60.4
300.02521	27.0
301.00928	55.9
323.04044	14.3
324.02597	83.1
325.02930	11.4
425.01248	8.1
426.02307	7.3
443.02335	30.7
466.03711	100.0
467.03983	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	443.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	1.3
53.69330	1.0
55.01856	4.0
61.76034	1.7
65.03922	2.6
67.05487	2.5
69.13912	1.4
73.83868	1.1
79.05479	3.0
81.03392	4.2
94.04172	3.4
95.04961	7.7
97.02846	1.7
107.04962	5.2
109.02863	8.5
110.03636	3.0
111.04418	3.9
115.05508	2.0
121.02847	1.8
122.03652	5.6
123.04398	8.0
125.05990	6.3
127.03889	3.5
129.07040	1.6
133.02861	7.3
135.04430	9.6
137.05974	58.3
139.03893	100.0
141.07063	1.5
147.04335	1.8
149.06067	1.5
150.00996	1.5
151.03896	74.7
153.05463	6.1
157.06551	1.6
159.04443	2.3
163.03889	28.1
165.05472	4.0
169.04993	6.9
175.03864	3.4
177.05463	3.9
179.03400	2.8
181.04915	8.3
185.06053	1.6
189.05446	9.6
193.04947	4.8
195.06500	4.0
203.07037	2.1
205.05009	4.3
213.05472	1.9
223.06049	1.8
227.06973	1.8
231.06514	3.6
233.08078	3.2
246.46014	1.6
255.06468	2.3
259.06058	2.3
275.09259	2.5
283.05978	2.5
301.06845	8.8
319.08093	86.0
328.54916	1.5
356.19327	1.8
373.42551	1.5
423.27414	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	443.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	4.7
55.62487	3.2
65.03922	6.2
67.05497	3.6
67.42503	3.1
68.14227	3.4
68.99779	4.2
81.03430	5.7
84.07640	3.7
85.02900	4.6
86.87839	3.6
91.05470	6.4
95.04976	10.0
107.04901	4.5
109.02908	18.7
110.03664	10.6
111.04431	11.0
114.46841	3.5
122.03593	5.2
123.04427	10.8
125.05978	46.4
125.78632	4.3
133.02866	7.8
135.04428	10.1
137.05975	70.1
139.03885	100.0
151.03896	85.7
153.05505	5.3
159.04384	4.8
163.03874	25.0
169.04933	20.1
169.38286	3.6
171.05472	3.9
181.05009	9.8
189.05437	8.4
189.65930	5.0
192.06659	4.2
193.04915	6.6
195.06668	4.1
201.05511	11.1
205.04993	4.9
226.05356	3.9
231.06523	3.6
233.07953	5.6
257.64377	4.1
275.09146	26.6
301.07007	8.9
315.32288	3.9
319.08109	75.6
361.89496	4.5
438.15240	4.4
457.45694	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	443.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04503	0.7
61.01136	5.4
66.90968	0.6
68.73628	0.5
70.06550	1.1
72.04509	8.4
72.14064	0.7
78.03781	16.6
80.30948	0.6
85.06509	1.1
86.09701	1.0
88.02201	3.2
89.04636	0.7
89.07092	1.0
91.71726	1.3
95.04955	9.5
98.02380	0.9
99.05603	1.5
99.75524	0.8
100.88100	0.7
102.03757	21.3
103.02175	1.2
113.05993	0.8
114.03769	1.2
120.04791	1.9
123.04423	50.4
124.07597	0.9
131.06380	14.1
132.04773	12.0
138.56421	0.7
142.08655	2.1
145.82326	0.7
149.07436	100.0
159.05917	1.3
165.05457	8.6
170.19531	0.7
180.82178	0.7
184.09648	1.0
207.04530	0.7
209.82312	0.7
243.11420	1.1
261.12656	12.3
313.12128	9.4
425.17349	9.9
443.68561	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.189
Annotation	Tyr Phe Asn
Peak:m/z	Relative Intensity
55.47651	2.5
57.03403	2.6
62.83038	2.3
70.06584	7.5
72.08138	3.1
75.35096	2.5
81.07070	3.5
84.04507	4.6
86.09696	2.8
91.71014	4.6
99.53393	2.8
114.83744	2.8
178.35121	2.8
184.07463	8.7
185.07779	3.4
201.03571	3.2
213.08702	3.8
254.61763	3.3
326.13559	5.1
333.07919	15.1
443.18997	100.0
443.24899	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	443.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72361	2.1
52.55642	2.3
54.77231	2.6
55.05502	10.4
57.03403	3.0
57.07052	5.0
67.05489	12.8
69.03428	4.3
69.07052	11.1
70.06562	2.6
73.06502	2.7
73.37095	3.0
74.73074	2.4
79.05501	8.4
79.69740	2.3
81.03400	2.8
81.07053	16.3
83.08605	7.2
85.02905	7.7
86.09680	2.7
91.05467	6.5
93.07030	7.2
95.08604	13.8
97.02885	3.9
97.10172	3.8
98.98457	52.3
105.06981	3.0
107.08610	7.2
109.06496	3.7
109.10168	6.4
119.08595	8.2
121.06595	3.2
121.10150	6.6
127.03900	3.3
131.08636	2.9
133.06483	7.0
133.10155	4.2
140.01089	8.0
145.06497	3.2
155.00989	21.6
173.02106	10.4
210.14886	3.3
277.04153	3.7
309.24319	3.6
327.25330	13.9
357.18970	9.5
371.25674	4.3
399.19812	32.7
407.21793	5.0
443.18774	100.0
443.24832	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	443.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93880	10.1
57.07065	41.1
69.07038	13.1
79.05474	16.5
83.11128	12.9
91.05463	30.1
95.04961	21.6
95.08585	13.1
96.76881	12.6
105.07033	16.3
107.04944	28.7
123.08049	17.6
127.00054	43.5
131.04909	20.2
131.08688	15.5
135.04416	40.0
137.05998	22.8
137.48242	14.4
149.06041	21.3
151.73647	15.6
153.05453	100.0
153.06561	18.2
153.16106	14.7
161.06035	15.1
163.03899	56.7
177.05392	16.2
195.06538	31.6
213.07547	19.9
219.13823	37.9
309.05975	18.2
339.19385	23.4
443.15298	33.8
443.20728	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	443.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40471	7.3
60.32658	6.4
66.59315	7.6
81.07044	17.1
91.05437	11.6
93.07075	10.2
95.08599	13.7
97.90861	7.6
99.22375	6.9
106.32195	9.1
107.08588	13.2
119.08598	16.7
120.52988	8.0
127.00030	100.0
131.08463	9.2
143.08618	11.5
149.42715	10.0
155.08591	13.2
188.00475	9.9
201.83389	9.2
202.81914	8.0
212.98692	8.7
250.06801	9.6
281.18948	23.7
321.18219	96.5
339.19318	42.7
362.20767	33.1
425.19009	12.9
443.20758	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17684	4.9
57.18170	5.6
57.22083	5.7
61.62995	5.6
78.07732	6.4
81.07037	21.6
91.05480	11.0
95.08640	11.9
100.91985	6.0
105.07007	15.5
107.08566	9.1
117.06986	6.9
117.09135	8.5
118.84969	7.1
119.08573	9.4
127.00027	36.6
127.76928	8.1
131.08653	7.0
137.05956	8.0
261.56003	9.7
321.18262	29.4
339.19357	19.5
362.21042	32.2
443.20297	100.0
443.26163	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	443.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	5.7
57.07058	22.6
79.05473	10.6
79.23203	8.1
81.06998	8.6
83.04964	10.6
86.88223	7.3
95.04939	11.8
103.05459	9.5
107.04987	11.0
129.19254	7.1
131.04916	15.2
131.08531	9.1
133.06482	11.1
135.04411	28.9
137.06013	25.7
138.03123	9.2
145.02798	8.8
147.04350	14.0
149.06058	11.8
153.05460	100.0
163.03891	50.4
177.05487	11.9
195.06563	43.2
213.07523	18.5
215.06859	9.7
217.04535	8.4
219.48537	8.0
271.13162	8.3
337.92542	9.7
402.16040	8.4
410.33746	7.8
425.14325	10.1
443.15512	13.2
444.15250	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	443.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	5.1
56.05022	1.1
70.06585	35.6
72.08147	100.0
73.08480	1.1
81.51231	1.0
84.04494	10.8
84.08102	1.2
85.02889	1.6
86.09705	2.6
102.05540	13.4
116.07088	38.6
136.18105	1.2
138.09148	6.8
155.11829	1.0
156.10220	7.8
169.13354	1.4
183.11264	14.0
190.67963	1.0
201.12343	33.8
201.14157	2.0
211.10878	4.2
215.13898	23.0
229.11790	25.1
282.18051	1.9
283.48935	0.9
310.17596	4.2
328.18500	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	443.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67463	0.5
56.05025	1.0
60.05646	5.4
67.45881	0.6
67.63648	0.5
69.07058	8.2
70.04298	0.6
70.06583	25.2
70.31143	0.6
71.05003	0.5
72.08157	4.5
81.07065	0.9
85.02940	0.5
86.09698	100.0
91.05446	0.8
92.93865	0.6
100.29749	0.5
112.08721	2.7
113.07121	0.7
114.10273	0.7
114.14606	0.6
115.08688	2.9
116.07089	8.9
120.08111	0.9
128.10725	13.8
128.11719	1.2
130.09770	2.0
139.26349	0.6
156.10185	1.3
156.11327	7.9
158.09233	5.3
174.35255	0.6
175.11902	13.0
187.10776	0.9
199.18105	0.8
215.10213	1.2
229.15382	0.8
269.18573	0.8
271.17664	4.4
275.25003	1.0
288.20349	1.1
371.06192	0.7
394.52875	0.7
443.29724	46.0
444.30002	1.1
469.05811	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48208	1.0
51.01818	1.1
52.67441	1.2
53.90059	1.2
57.07072	1.3
63.63654	1.1
87.04461	1.7
88.82854	1.2
116.14895	1.3
183.18878	1.6
219.89291	1.4
242.89514	1.6
308.54001	1.7
335.46930	1.8
364.52756	1.6
427.89459	1.9
443.33389	100.0
444.33850	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	444.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19352	3.2
67.20493	4.1
93.07030	9.9
95.08624	6.2
105.07028	12.6
107.08599	6.0
113.08794	4.5
114.29079	4.5
121.10130	9.3
133.06554	9.4
143.08635	4.9
145.10182	9.9
159.08087	12.3
159.11641	4.5
161.09644	7.7
163.11372	5.1
171.11635	5.4
173.09589	4.9
177.75391	5.4
187.07539	10.2
187.11270	6.5
199.14857	7.1
215.07097	6.6
243.13785	11.0
247.13284	9.3
262.52359	5.1
271.13287	9.2
287.13004	5.8
289.14456	8.0
299.12827	8.4
317.13821	6.5
327.72278	4.9
335.14856	100.0
353.15829	7.7
363.14224	29.5
381.15332	18.7
409.15231	9.7
427.16049	46.0
444.18307	15.3
445.17041	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	444.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64527	6.0
54.21339	5.4
55.05488	11.7
57.07075	34.3
67.05486	5.9
69.03394	6.7
69.07054	10.9
70.06574	51.4
72.08150	91.8
72.86880	7.7
83.01303	6.1
84.04491	20.2
84.08136	17.5
85.02907	12.0
86.09697	100.0
91.05462	7.1
95.08599	18.5
101.02650	5.6
105.07047	9.7
106.41384	6.0
110.07230	7.0
113.09657	7.9
116.07069	9.6
121.10128	13.6
121.87309	7.0
129.07021	6.4
129.10266	14.1
131.04935	16.2
133.06189	11.2
139.11212	7.6
143.49655	6.8
145.06522	13.3
157.10115	7.5
159.08066	10.7
161.05869	6.9
161.09482	7.6
161.12788	7.1
171.08115	10.0
173.09308	13.1
175.11145	10.4
177.12804	9.2
185.16479	18.6
187.07539	24.2
189.09100	14.5
203.12772	31.0
213.16019	17.0
215.06940	20.0
217.08334	8.7
232.12904	29.0
233.08209	10.0
243.13673	13.1
262.09308	8.5
271.13364	24.4
271.72162	7.5
279.08673	10.6
289.14209	16.7
307.15286	23.5
315.65555	7.9
317.13910	15.9
335.14816	53.7
353.15915	9.3
363.14386	22.8
391.13824	7.5
409.14822	43.2
427.15872	43.0
444.18887	40.6
445.16953	25.0
468.18576	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53112	6.9
55.05474	8.0
55.14558	6.7
57.07059	37.9
67.05501	18.0
69.03413	10.4
69.07068	11.4
73.23344	7.2
83.01330	8.6
86.07804	7.4
91.05449	9.8
95.08598	100.0
101.45752	9.3
105.07043	16.3
107.04968	8.9
109.06536	8.6
113.09623	55.9
117.07044	8.7
117.22043	8.7
121.06515	10.5
131.08656	11.7
133.10120	15.5
145.06450	10.3
145.10138	9.1
170.04361	9.1
175.03864	10.8
203.12817	15.7
209.93910	8.6
217.12308	10.8
229.11952	10.3
247.13274	22.3
289.14413	28.2
317.13956	28.7
335.14825	96.6
353.15851	15.9
363.14172	13.4
391.13657	13.6
427.15848	64.7
444.18198	37.8
445.10989	90.5
445.16434	13.7
455.58817	10.5
468.18790	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	444.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53112	6.9
55.05474	8.0
55.14558	6.7
57.07059	37.9
67.05501	18.0
69.03413	10.4
69.07068	11.4
73.23344	7.2
83.01330	8.6
86.07804	7.4
91.05449	9.8
95.08598	100.0
101.45752	9.3
105.07043	16.3
107.04968	8.9
109.06536	8.6
113.09623	55.9
117.07044	8.7
117.22043	8.7
121.06515	10.5
131.08656	11.7
133.10120	15.5
145.06450	10.3
145.10138	9.1
170.04361	9.1
175.03864	10.8
203.12817	15.7
209.93910	8.6
217.12308	10.8
229.11952	10.3
247.13274	22.3
289.14413	28.2
317.13956	28.7
335.14825	96.6
353.15851	15.9
363.14172	13.4
391.13657	13.6
427.15848	64.7
444.18198	37.8
445.10989	90.5
445.16434	13.7
455.58817	10.5
468.18790	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	444.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72032	1.5
57.07069	1.8
61.02921	1.5
67.05505	2.4
68.21928	1.6
69.03412	5.8
71.08626	1.6
74.40652	1.7
76.90738	1.6
81.07098	2.1
82.40315	1.7
85.02897	8.5
91.05469	3.6
93.07031	6.5
95.04961	3.9
95.08604	4.7
97.02864	2.5
101.50626	1.9
105.03338	1.8
105.07037	12.8
107.08585	3.1
107.38419	2.0
109.06500	3.0
111.04432	7.5
117.07043	6.3
119.08592	10.3
121.06526	4.3
123.08066	4.8
127.92507	2.2
128.06264	2.6
129.07047	1.9
131.08571	8.5
133.06461	2.2
133.10149	7.2
134.42383	2.2
135.08005	2.8
143.08556	4.4
145.06465	5.2
145.10103	10.4
156.09337	3.6
157.10132	4.5
158.07289	7.6
159.08054	9.2
159.11681	5.7
161.09679	5.1
171.11624	5.2
172.08812	4.2
173.09599	4.3
183.11745	2.8
187.11192	4.5
199.11205	14.6
201.12764	6.0
211.11211	8.6
217.12231	6.4
229.12308	8.6
235.06213	2.4
247.13255	100.0
335.14914	7.1
427.16360	4.2
443.41037	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	4.2
55.05521	3.1
57.07064	7.8
58.83570	3.0
67.05492	9.2
69.03414	11.0
69.07041	5.5
72.67000	3.2
79.05482	17.0
81.03413	100.0
81.07039	8.1
83.04962	7.1
85.02892	10.3
91.05469	13.3
93.07035	15.0
95.04954	11.8
95.08602	9.3
97.02915	8.4
105.07022	16.7
107.04961	13.1
107.08608	11.0
109.06477	4.7
109.10175	8.5
111.08050	4.2
117.07007	11.9
119.08578	12.6
119.38398	3.1
121.06533	6.4
127.03886	4.3
129.07004	3.6
131.08574	7.0
133.06441	7.5
133.10143	16.9
135.08073	36.5
139.03926	4.3
143.08589	6.0
145.06491	11.2
145.10118	9.1
147.08051	33.7
147.11687	4.8
149.09579	6.1
157.10153	10.4
159.08122	5.9
159.11620	6.0
161.09595	42.1
165.09131	13.2
168.09384	3.7
171.08041	4.4
173.13271	12.7
179.10683	12.8
183.11705	12.0
185.09602	4.8
185.13252	3.9
201.12741	48.5
203.10715	6.4
203.12691	6.9
219.13814	9.8
229.12289	12.9
247.13274	87.8
247.15553	6.8
248.13918	3.8
322.12650	4.1
345.13269	6.3
409.14890	13.9
427.15762	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37840	0.6
55.01858	1.8
57.03422	0.7
57.07060	1.6
60.75113	0.6
67.05501	3.6
69.03392	1.5
71.04971	2.5
79.05479	2.2
81.03403	7.0
81.07032	1.0
85.02905	1.6
85.06514	1.7
91.05440	1.9
93.07025	3.2
94.40852	0.6
95.04948	5.5
95.08577	1.5
97.02878	1.5
99.04429	5.7
105.07007	4.8
107.04947	3.1
107.08598	2.6
109.10151	4.1
113.06010	1.0
117.07014	5.4
117.64706	0.8
118.49445	0.7
119.00863	0.7
119.08516	0.9
120.73151	0.7
121.06463	1.1
121.10132	0.7
131.04959	0.9
131.08563	2.1
133.06447	1.5
135.08046	100.0
136.08400	1.0
143.08611	0.9
145.06488	1.4
145.10086	4.2
155.08606	1.1
159.08049	1.4
161.09558	1.1
173.09608	4.2
173.13062	1.2
183.11719	1.1
201.12700	3.0
203.12770	1.7
219.13756	1.3
229.12318	1.0
247.13268	14.7
265.14352	2.7
316.42328	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16451	2.8
52.47394	2.5
53.03940	33.2
55.01871	3.1
55.95572	2.7
57.07067	23.0
59.05020	2.7
66.62581	2.7
67.05496	7.8
69.90072	2.9
71.01360	8.5
73.22914	2.6
79.05498	6.0
79.19055	3.6
81.03414	38.5
81.07069	4.2
82.44550	3.3
85.02893	18.6
85.06562	15.7
91.05508	9.6
91.71028	5.1
93.07060	3.4
95.04940	23.2
97.02917	6.8
99.51797	3.1
103.05515	3.1
105.07082	5.1
107.08607	4.8
115.05508	5.6
117.07015	24.6
119.08598	7.0
123.04465	11.0
123.08117	5.0
129.07071	3.7
131.04945	4.0
131.08592	6.1
133.00691	4.1
133.06512	4.0
135.08095	12.0
137.09653	10.6
145.06561	16.7
153.09216	3.9
161.06062	4.5
163.07562	5.8
171.54036	3.7
177.12842	10.2
179.10686	7.6
186.36343	3.8
191.14420	6.0
201.12743	36.0
219.13724	30.7
229.12354	9.3
247.13272	75.6
265.14316	100.0
314.01929	3.9
386.71243	4.3
409.49408	3.8
438.21094	4.4
443.26544	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	444.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12161	4.1
57.07067	94.1
57.07317	7.1
65.21928	4.2
71.03815	4.3
71.08639	4.8
79.09490	5.8
81.07068	4.9
85.05405	5.2
89.06017	67.3
89.53221	4.5
91.05480	13.6
91.98968	5.5
93.07037	30.5
95.04998	9.3
105.07103	4.8
110.44169	5.7
121.06482	69.9
124.11218	5.2
130.08682	10.6
133.08597	49.0
147.08069	13.2
165.09099	27.1
177.11299	10.3
203.12796	7.9
209.11844	21.6
228.10945	6.9
233.19136	15.5
237.77449	6.7
241.55153	6.2
259.00735	6.1
277.21634	11.5
315.18002	100.0
315.21399	7.2
343.76782	6.6
427.30539	28.8
444.40524	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	444.3478
Annotation	Puqienine B
Peak:m/z	Relative Intensity
53.08344	5.1
55.05500	8.3
57.07073	5.6
61.84727	4.4
69.07069	8.2
70.06586	49.8
71.08613	5.7
76.52848	6.4
81.07057	8.3
91.71002	5.3
108.31311	5.5
138.10181	5.9
138.55524	5.3
157.43053	5.4
164.72215	5.7
185.08336	11.0
186.09193	16.4
193.73868	6.0
203.12895	9.9
224.41592	5.5
272.10748	6.7
426.33649	34.3
444.34473	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33269	2.7
57.07082	4.3
62.64520	3.0
67.05521	3.5
69.46633	3.2
73.82387	3.9
79.16496	3.1
95.08624	11.7
113.09672	6.5
115.01144	3.7
133.02901	5.8
147.04459	8.6
161.05957	7.0
189.05510	5.1
203.12880	7.6
310.70334	4.9
314.26144	4.2
335.15033	5.2
428.16718	6.3
444.18295	4.3
445.10977	100.0
445.16586	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	445.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86599	4.6
52.96682	4.8
54.19480	4.7
55.12377	4.6
56.14043	5.1
57.03411	5.6
57.07068	9.7
60.86024	5.3
67.05497	9.3
68.51727	5.8
69.07059	8.6
71.08633	7.8
74.60102	5.3
78.12549	5.7
79.05460	7.5
81.03384	7.6
81.07049	17.2
93.07024	7.7
95.08630	11.4
107.08573	5.8
119.08637	11.1
135.08069	13.5
135.11804	7.2
139.11166	8.5
148.61055	7.0
203.12782	9.9
216.55727	6.6
268.84280	6.8
445.10922	100.0
445.20407	14.0
452.81009	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	445.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
63.14632	1.4
65.03922	3.3
67.05497	23.4
67.51265	1.4
69.07049	2.2
70.06591	14.3
71.31651	1.4
72.08159	3.7
83.06097	4.5
84.04493	19.7
84.08138	4.7
86.09705	8.3
86.39576	1.7
95.04958	8.9
97.01100	2.0
99.02670	3.1
108.08133	2.6
109.05210	2.1
114.03758	1.9
114.07387	2.2
116.07069	2.9
123.78790	1.8
127.02154	2.9
129.01134	1.8
129.06610	6.6
129.10204	2.1
130.04993	5.6
138.05499	100.0
138.55267	2.1
140.05247	2.0
142.03238	3.4
152.01640	2.5
153.00027	2.0
168.04781	26.2
170.02702	74.7
195.05901	3.6
196.04251	5.5
203.12889	3.9
213.06915	16.9
245.11305	3.7
257.33746	1.6
279.07758	1.6
299.06995	20.0
316.09579	21.3
323.39920	2.0
370.10596	10.6
376.31888	1.8
445.20236	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	445.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07057	1.7
70.06578	5.5
72.08155	8.7
73.34213	1.1
75.66286	1.1
76.03989	1.9
79.98300	1.2
84.04502	11.7
84.08125	2.4
85.02890	2.2
86.09708	9.9
90.95580	1.3
91.05474	1.7
94.06590	2.9
99.02684	2.8
99.05550	1.3
105.07028	2.3
105.13557	1.3
108.08086	1.7
119.07318	2.6
122.06033	7.3
124.07600	1.4
125.82236	1.3
126.03734	2.0
130.04982	3.1
137.08363	36.0
138.09142	6.6
142.06883	1.7
152.05312	5.2
155.30547	1.5
170.06337	100.0
171.14908	1.6
172.07924	1.5
177.03319	4.7
196.07922	8.8
197.93887	1.7
203.12761	3.1
213.10602	2.6
224.07372	8.5
231.04529	4.2
241.10043	4.4
247.12856	3.2
275.49496	1.8
316.13272	9.3
445.17349	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	445.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31948	1.4
53.34547	1.4
54.79623	1.3
57.07056	3.7
59.38571	1.2
69.07057	1.3
83.01310	2.9
150.76871	1.7
216.61220	1.4
231.20927	1.5
241.16823	1.6
289.08582	6.4
290.09323	6.3
303.10126	2.0
317.08124	8.0
318.08795	12.2
331.09537	5.5
332.10223	2.2
345.07626	7.6
374.15210	2.8
394.36102	2.1
402.14575	17.3
403.15363	4.1
417.20581	6.2
445.20032	100.0
446.20514	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	445.2043
Annotation	3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE
Peak:m/z	Relative Intensity
54.97406	3.8
55.15551	4.5
57.86414	4.1
59.72118	5.4
61.51047	3.9
72.08142	12.0
86.09714	39.5
92.27920	4.8
111.20876	5.4
111.42842	4.5
111.97156	4.1
119.03555	4.4
133.06502	4.8
146.11794	6.6
169.10071	4.6
259.54984	6.4
333.07932	19.4
394.53561	5.4
445.20364	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50858	2.1
56.67832	2.0
56.71507	2.3
56.96618	2.3
63.92016	2.2
69.07061	2.0
70.00827	2.3
71.54562	2.1
74.93839	2.4
93.07035	2.6
103.42950	2.9
144.35693	3.0
149.49817	2.5
176.81851	2.5
210.72787	3.4
317.27396	3.0
322.35010	3.3
333.07907	6.8
345.81039	2.6
360.52634	3.0
445.20404	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	9.6
57.07060	9.9
58.82700	6.4
60.04491	6.9
60.25864	5.9
62.88713	5.8
67.05481	8.3
69.07060	9.7
70.06576	31.9
71.04965	10.5
72.08154	46.9
79.05489	9.4
81.03414	7.5
83.04987	9.5
86.09693	81.7
91.05457	13.4
93.07047	16.8
95.08577	7.6
105.07050	9.0
107.08565	7.4
120.57465	7.3
121.10138	7.3
125.13175	6.6
130.88474	9.9
134.10454	7.7
137.05971	11.2
142.93556	6.8
146.11740	15.8
151.05243	8.1
153.13606	7.2
173.12889	18.0
189.05254	12.8
201.12326	17.2
202.29463	7.6
202.33998	8.3
203.12730	12.2
223.88512	8.0
245.18558	10.6
270.42151	8.2
313.16171	12.4
389.92026	10.3
427.19836	12.5
445.15277	14.7
445.20313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67508	3.4
54.73811	3.2
57.07062	14.9
66.40527	3.4
69.59615	3.5
79.05467	4.2
81.07052	10.5
85.06521	3.4
91.05477	4.4
91.71602	6.6
93.06990	4.3
104.91250	3.7
107.04964	13.7
111.56607	4.0
121.06471	4.9
132.23743	3.9
135.04414	23.0
137.05998	23.6
138.03172	6.2
147.04491	6.9
149.05969	6.4
151.07481	5.0
153.05461	100.0
163.03897	48.4
167.07013	5.6
177.05495	9.9
195.06517	37.3
203.12692	6.3
213.07561	12.1
274.10806	4.0
459.11005	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	445.222
Annotation	Ardisinone A
Peak:m/z	Relative Intensity
53.16249	1.7
54.15490	1.5
57.07066	14.4
76.00629	1.7
79.05478	3.0
81.07043	5.8
85.06533	4.9
89.03886	2.2
91.05470	1.9
91.71006	3.4
103.05497	2.0
105.07030	2.2
107.04948	9.6
108.30762	2.0
109.06509	3.0
110.03642	2.0
117.03428	2.9
117.33095	1.7
121.06506	3.9
131.05000	2.1
131.08551	2.6
135.04399	21.8
137.05974	7.9
138.03111	5.9
141.05408	2.3
145.10132	2.0
147.04388	2.3
149.05977	5.1
153.05455	100.0
157.91965	1.8
163.03882	49.4
167.07047	4.6
177.05472	7.2
179.07112	2.2
195.06523	37.5
202.76479	1.9
213.07585	17.9
230.17104	2.3
233.15350	5.1
240.42691	1.9
313.14395	4.8
397.20056	8.2
413.79886	2.3
429.47922	2.1
435.89804	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	445.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
53.14345	2.5
55.89268	2.9
56.46191	2.8
57.06801	5.2
57.07067	100.0
61.13955	2.9
62.51098	2.8
67.05480	9.0
69.07071	4.1
74.26000	3.0
79.05465	7.8
81.03399	10.4
81.07037	5.0
83.04960	5.9
85.06535	38.4
86.41904	3.2
91.05453	26.3
91.71052	4.6
93.07031	4.7
95.04945	7.2
95.08572	3.8
105.07021	45.5
107.04925	4.1
108.62759	3.6
119.04935	39.9
119.08578	4.7
125.09630	4.5
128.06242	4.7
129.06999	9.9
131.08589	4.7
133.06531	5.1
137.09607	12.8
141.06990	5.6
143.08556	15.2
155.08588	7.1
160.49300	4.3
169.10143	7.8
171.08049	14.6
179.08574	6.3
179.66718	3.9
181.10135	4.4
183.11615	4.7
189.12883	5.1
193.10123	6.1
203.10553	5.7
205.10129	6.3
207.11726	4.7
211.11140	10.8
227.14291	6.8
277.15894	8.7
343.20657	12.2
361.21655	32.6
400.12390	3.8
427.26373	10.0
435.88174	4.0
445.09073	4.8
445.27509	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	445.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33085	1.4
71.27212	1.3
80.27612	1.2
110.62297	1.3
119.36981	1.6
179.43408	1.6
210.73471	1.5
253.12531	1.5
291.85287	1.7
336.17099	1.6
445.31317	100.0
446.31711	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	445.3311
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
54.02975	6.8
55.01855	12.0
55.05504	11.6
57.03422	20.9
59.32961	7.7
63.51677	7.2
65.51676	7.9
67.05497	81.8
67.56256	8.1
69.07056	33.1
79.05493	30.1
81.07042	100.0
83.08616	10.6
91.05471	36.9
93.06555	7.9
93.07027	48.1
95.04959	16.8
95.08610	81.0
97.05956	11.7
97.06532	30.1
97.10134	9.9
98.98443	8.1
99.00797	15.6
105.07059	25.2
105.93721	8.4
107.08589	27.4
109.10167	33.1
109.35665	8.7
119.08566	19.0
121.10163	39.4
131.08566	10.7
133.10124	20.6
135.11703	17.9
137.13220	9.7
141.05478	28.4
147.11707	16.6
149.13278	17.2
157.72942	8.0
159.06560	11.6
161.13197	13.6
175.14824	15.9
197.28522	9.4
199.94432	9.8
242.75034	9.6
245.22514	21.0
258.66333	9.3
329.24997	11.4
401.30338	14.1
427.32465	19.8
445.33438	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30927	3.7
53.58908	3.5
55.05499	12.3
63.07638	3.5
66.85717	4.0
67.05495	7.7
69.07047	18.1
71.08608	4.9
71.32511	3.8
81.07040	13.4
82.21707	4.7
83.08607	10.8
83.85838	4.8
91.70933	6.9
95.04945	5.5
95.08585	10.5
97.10147	8.4
109.10142	7.2
121.06380	5.2
137.09616	9.2
138.12025	4.4
149.09599	7.3
158.28355	4.8
163.11165	6.2
165.09096	100.0
267.06473	5.4
311.64508	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	445.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14066	1.4
52.80275	1.8
55.05502	12.3
57.07059	4.2
58.28889	1.9
67.05484	8.0
69.07060	20.9
70.16544	1.6
71.08630	2.0
75.87935	1.8
81.07043	7.9
83.08611	10.2
91.71007	3.6
91.71594	3.8
92.41725	1.7
93.07016	3.1
95.08604	5.9
97.10152	5.7
105.07061	2.4
107.08595	4.7
107.66595	1.6
109.10156	7.8
119.08574	3.4
123.11655	3.4
125.13199	1.8
131.08548	2.6
133.10126	2.2
137.09616	10.5
149.09615	7.4
163.11165	9.8
165.09096	100.0
175.11217	3.5
177.09109	5.4
189.09109	2.0
191.10667	5.7
199.11111	3.0
202.85997	1.9
203.10791	4.2
205.12154	6.5
230.43036	2.2
267.89868	2.0
427.35678	3.5
445.36868	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	445.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	9.0
57.07069	5.2
67.05173	3.4
67.05505	6.7
69.07058	18.3
81.07043	8.0
81.93046	3.4
83.08591	10.8
93.07077	4.3
94.49833	3.7
95.08607	10.6
95.57908	3.3
95.88086	3.9
97.10184	7.2
104.46059	4.0
106.08874	4.0
108.14535	3.7
109.10165	4.3
119.08533	4.5
121.10160	3.8
135.08153	6.2
137.09624	8.8
139.07558	4.3
149.09618	12.7
163.11240	9.8
165.09090	100.0
191.10660	9.3
205.12207	9.4
425.25549	4.6
445.36938	8.5
450.45667	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	446.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28161	1.1
54.17237	0.9
62.44007	1.1
64.40066	1.1
69.03400	1.9
70.06573	2.1
72.08141	3.5
72.77837	1.1
79.72078	1.2
81.03395	1.1
84.04461	1.4
84.08131	1.2
85.02896	4.8
86.09692	5.3
97.02883	2.2
115.05455	3.7
117.06986	1.2
129.10239	1.3
131.08514	1.5
132.05696	1.3
140.20656	1.1
143.04930	7.0
147.08128	1.3
155.95139	1.2
160.05200	4.9
171.04398	5.8
175.07513	8.9
188.04669	12.1
203.07021	100.0
205.42725	1.3
221.08035	12.7
231.06499	45.2
233.46638	1.3
249.07552	9.2
275.29602	1.4
305.27020	1.4
411.16040	2.1
429.17697	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	446.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41896	5.1
57.07067	17.5
60.91451	4.9
62.52206	4.9
67.05474	5.0
70.95820	5.0
89.40862	5.3
95.08619	23.5
95.18507	4.7
97.02882	9.9
99.04433	6.0
105.07030	7.3
120.72118	6.1
121.10282	5.5
133.06558	8.2
143.08568	9.3
159.08113	6.2
189.05411	6.9
217.08545	14.7
245.08110	8.7
253.06837	6.3
273.14890	10.0
281.10681	6.7
301.14224	6.5
319.15430	20.6
326.29718	6.0
329.13766	12.8
347.14789	11.3
365.15778	16.1
375.14362	24.4
393.15305	100.0
393.19864	7.9
411.16382	14.0
429.17538	20.7
446.20306	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	446.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07063	2.8
55.01858	3.6
57.03430	27.0
59.04984	6.7
67.05493	4.6
68.83431	3.1
69.03417	97.5
73.02914	4.6
74.44967	3.2
75.04451	7.7
81.03418	4.6
83.05000	4.4
84.04466	7.1
85.02892	84.2
87.04463	60.6
93.07051	3.5
97.02883	82.7
103.03957	3.9
105.07019	13.4
111.04438	7.3
115.03159	6.8
115.03924	100.0
119.08559	4.2
127.03919	10.3
133.04962	74.4
133.10156	10.5
138.33763	3.8
145.04961	9.4
150.07622	16.4
168.54945	3.8
174.07544	5.2
177.05458	4.4
231.13837	12.1
241.04530	4.5
241.06888	5.4
249.14841	16.0
263.71118	4.0
349.55463	4.7
405.37311	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	446.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59208	4.2
55.01873	6.9
55.05516	5.8
61.44863	4.6
67.05507	6.9
69.03399	4.3
69.07060	6.5
70.06599	8.0
72.02293	5.6
72.08168	10.4
83.01400	5.1
83.04980	12.5
84.08169	6.7
85.02946	7.2
86.09708	27.5
91.05497	12.6
91.71085	8.0
93.07064	16.7
95.04974	11.2
95.08636	13.7
105.07053	19.7
107.04996	6.5
107.08602	9.6
111.08102	6.5
119.08606	14.5
121.06513	8.7
121.10176	11.2
123.04447	4.9
126.01516	4.9
131.08626	24.6
133.06519	13.1
133.10136	13.2
135.08130	7.0
143.08501	12.2
145.06584	10.6
145.10176	19.5
147.08060	8.8
149.06042	6.0
149.09677	9.1
155.08611	10.3
157.10202	14.3
159.08064	11.3
159.11700	10.4
161.09747	20.4
163.11240	8.1
169.10138	6.8
171.08148	14.4
173.06021	7.3
173.09616	12.5
175.07608	9.7
175.11266	23.3
177.05579	6.4
179.10684	7.7
183.23540	5.6
185.09706	12.8
187.11208	9.7
189.09100	8.6
189.12766	8.6
197.09717	7.1
199.11194	6.8
203.07001	67.8
203.10730	6.9
203.72160	6.0
213.12782	9.0
215.10789	12.7
215.14481	9.8
217.12270	9.1
221.08243	8.0
227.10692	11.8
227.14343	11.9
229.12242	6.0
231.06534	26.8
231.13795	9.6
237.12697	7.8
243.13930	9.0
255.14073	10.2
257.15540	8.8
271.13339	10.8
273.11414	6.9
273.14960	18.2
283.13422	8.9
289.10925	5.8
289.14587	7.5
295.75986	5.6
301.14441	18.2
305.13843	6.3
307.15286	9.4
317.13815	26.5
319.15530	20.0
329.13855	18.3
335.14954	34.5
337.16483	33.8
347.14853	77.8
363.14380	9.0
365.16022	62.8
375.14413	61.1
381.92529	6.0
393.15442	30.1
406.03665	6.7
411.16391	91.4
428.19171	7.8
429.17563	100.0
446.19913	25.3
452.19397	9.9
470.20316	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	446.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22859	0.9
55.05507	1.4
56.21666	1.1
57.07051	1.2
67.05487	4.8
69.03419	4.4
79.05479	4.4
79.09403	1.1
81.07042	4.6
82.42938	1.1
83.04980	1.4
85.02886	4.1
91.05473	10.4
91.71672	1.3
93.07028	8.0
95.04960	4.4
95.08590	8.7
97.02879	2.4
97.06533	1.3
97.19308	1.0
101.62817	1.1
105.07023	15.2
107.08605	5.2
109.06504	4.0
109.10167	4.4
110.20150	1.4
111.04465	2.1
111.08060	2.6
115.05560	1.4
115.16146	1.2
117.07021	5.0
119.08572	100.0
121.06491	6.0
121.10143	4.6
123.04489	1.3
123.08070	2.5
129.06979	1.7
131.08580	1.9
133.10121	9.7
134.10925	1.3
135.08046	3.1
137.05937	1.4
137.96478	1.2
139.07532	1.7
141.07080	1.2
142.07790	2.4
143.08546	5.7
145.10110	3.4
147.08122	2.0
153.07027	1.5
155.08501	2.2
156.09366	1.3
157.10156	5.2
159.08076	1.7
161.09550	1.7
164.07150	1.5
165.06952	2.7
170.10913	1.7
171.08110	2.3
172.08784	1.6
177.11108	1.1
180.09218	1.6
185.13254	7.8
187.11159	2.2
189.05359	1.8
191.10619	2.3
195.11646	8.3
198.10443	2.8
203.14362	3.7
213.12729	19.7
219.13959	1.4
231.13788	20.0
249.14864	10.3
273.14755	1.8
301.14450	1.9
319.15536	3.9
337.16479	2.4
347.14902	1.9
366.13641	1.7
393.15521	10.2
405.95010	1.3
411.16522	2.3
429.17477	1.7
447.12503	3.6
461.94238	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	446.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.3
53.25856	2.1
63.71550	1.7
79.05474	13.7
81.03405	100.0
81.07043	4.2
83.04973	12.3
83.81599	1.9
88.23796	2.1
91.05453	8.2
93.07030	47.8
95.04967	3.9
95.08556	2.3
99.04486	2.2
105.07010	10.4
107.04967	12.0
107.08583	74.7
109.06490	2.6
117.06975	2.9
119.08562	5.1
120.71027	2.0
121.06425	2.4
121.10136	26.4
121.26207	2.0
127.58212	2.1
130.55348	2.6
131.08589	4.2
133.10172	3.9
135.08092	3.0
135.11685	17.2
139.81868	2.1
143.08611	3.3
145.10057	4.5
149.09593	22.5
157.10141	6.9
162.57103	2.2
163.11159	13.9
167.10657	36.7
175.11087	4.0
181.12231	34.6
185.13248	3.0
203.14291	7.3
213.12720	4.8
231.13806	22.9
249.14859	35.3
306.01974	2.4
447.10468	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	446.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.1
57.03420	3.7
58.16460	2.6
59.04988	8.9
61.02913	3.8
67.05493	10.0
69.03413	12.6
69.07028	3.5
79.05486	8.4
81.03398	7.4
81.07042	35.0
83.04960	18.6
85.02891	29.1
91.05474	13.9
91.71713	3.9
93.07021	13.7
95.04951	38.4
95.08606	7.1
97.02878	9.6
99.04414	7.3
105.07018	21.4
107.08579	7.7
109.02855	7.9
109.06497	26.0
111.04432	10.3
117.06983	6.3
119.08604	10.3
121.06515	10.9
121.10085	6.0
123.04420	4.7
123.08056	7.1
127.03922	6.1
129.07010	9.0
131.08554	17.4
133.06523	8.0
133.10136	5.2
135.08067	4.3
142.07826	4.7
143.08566	9.5
145.04948	7.3
145.06505	4.6
145.10091	20.5
147.08060	17.4
149.09618	12.0
151.07538	5.3
155.08456	4.1
157.10086	9.2
161.09645	12.3
162.90694	4.0
163.06114	3.8
163.07611	3.8
163.11183	7.5
171.08005	5.1
173.09627	39.2
185.09654	3.5
185.13309	5.2
187.11111	4.6
189.09157	7.1
191.10658	100.0
201.74628	3.9
203.14331	11.5
209.11694	6.7
213.12814	7.0
222.25955	3.7
231.13763	75.4
231.15851	6.3
233.11920	6.3
249.14844	71.9
264.12653	3.9
267.15921	15.8
289.28189	3.8
317.14093	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	446.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43790	0.5
55.05514	0.6
57.30909	0.5
60.04518	1.0
67.05489	5.3
68.05025	0.8
69.03425	0.9
69.07056	7.0
70.06580	100.0
73.90391	0.7
81.03375	0.7
85.02903	1.0
86.09699	2.2
91.05476	1.0
94.06564	2.1
95.04944	6.3
97.02882	0.9
112.07597	11.1
114.15846	0.7
119.04915	0.8
124.46615	0.8
130.08632	11.3
136.07570	0.9
183.55508	0.8
231.13803	1.0
274.12823	3.9
292.14044	1.1
308.63202	0.7
317.27170	0.9
318.11804	1.3
402.24884	1.1
446.20477	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	446.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65084	0.3
55.05483	0.6
56.47591	0.8
60.64970	0.4
63.44436	0.4
64.24899	0.4
67.05476	1.7
69.07044	0.8
79.05479	1.4
81.07056	3.8
83.08574	0.5
91.05462	0.9
93.07030	0.9
94.04040	0.5
95.08602	1.1
104.96695	0.4
105.06979	1.0
119.03544	0.9
135.57146	0.5
136.06177	100.0
137.04570	1.7
147.11711	0.6
149.02426	0.7
162.07719	1.4
167.41397	0.5
168.37782	0.5
180.42067	0.4
193.04999	1.2
237.07523	1.0
410.43854	0.5
428.26462	0.7
446.27573	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.105
Annotation	Unknow
Peak:m/z	Relative Intensity
64.67700	25.5
77.26543	26.8
78.30479	24.1
92.63520	27.4
92.88444	21.9
102.58237	26.7
106.72079	24.2
149.02289	39.5
167.97830	28.1
258.28793	28.5
318.99191	26.9
353.27991	35.8
430.01523	36.3
447.10648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57837	6.9
59.43600	7.0
60.32537	7.0
62.86734	6.3
63.42416	6.5
64.74570	8.4
75.91632	6.7
96.38003	6.9
100.71641	7.8
123.18719	9.2
173.41144	8.8
177.91826	9.0
291.01187	10.2
447.10535	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32396	3.7
61.07254	3.2
67.38041	2.9
83.46395	3.5
149.26770	3.6
232.17987	4.0
232.23448	4.3
386.60248	4.5
447.10416	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81137	11.5
52.99055	11.6
53.79649	10.9
55.51570	10.8
55.51816	13.8
55.98482	10.4
57.78909	10.9
86.70720	14.4
95.40128	13.4
116.48559	12.4
136.59212	13.6
141.08960	13.1
167.55992	13.9
288.13635	14.0
447.10709	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29443	1.3
51.15039	1.3
53.69268	1.4
56.60819	1.3
65.03890	1.5
103.61172	1.9
114.83739	2.0
122.29472	2.0
155.24898	2.0
183.02911	2.1
189.10802	2.5
197.13165	2.1
224.61435	2.0
447.12326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09920	1.3
56.97602	1.4
59.64945	1.5
60.54354	1.6
69.73389	1.6
75.43694	1.4
85.02895	2.1
85.79510	1.4
91.71641	3.6
101.49702	1.7
118.43708	1.9
127.66065	1.7
129.19283	1.6
165.41628	1.8
241.29491	2.0
305.56412	1.8
309.33084	2.2
447.12576	100.0
448.12744	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18617	1.4
59.56415	1.1
64.23739	1.2
64.56995	1.5
85.02867	2.7
91.70920	1.6
106.15607	1.5
115.06499	1.6
119.98789	1.4
120.21128	1.7
136.84213	1.7
137.05797	1.7
165.77786	1.4
212.10710	1.6
295.40167	1.7
353.73499	1.9
372.56339	1.7
447.12592	100.0
448.12885	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	447.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10119	2.6
57.07070	3.1
60.72952	2.7
63.93373	2.6
65.19242	2.7
65.53835	3.2
69.03401	5.7
85.02872	5.0
85.06504	7.1
91.05473	8.2
93.07043	36.3
97.02894	5.9
105.07030	4.5
131.08572	4.1
135.11688	4.1
137.05995	4.3
142.42593	3.4
149.71805	3.4
195.14250	3.5
203.05273	3.7
207.55577	3.7
231.13930	7.6
249.14836	6.0
281.57581	3.8
284.16357	4.4
352.03705	4.3
389.18018	4.2
406.17941	4.9
447.16324	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1623
Annotation	Gefitinib
Peak:m/z	Relative Intensity
53.10119	2.6
57.07070	3.1
60.72952	2.7
63.93373	2.6
65.19242	2.7
65.53835	3.2
69.03401	5.7
85.02872	5.0
85.06504	7.1
91.05473	8.2
93.07043	36.3
97.02894	5.9
105.07030	4.5
131.08572	4.1
135.11688	4.1
137.05995	4.3
142.42593	3.4
149.71805	3.4
195.14250	3.5
203.05273	3.7
207.55577	3.7
231.13930	7.6
249.14836	6.0
281.57581	3.8
284.16357	4.4
352.03705	4.3
389.18018	4.2
406.17941	4.9
447.16324	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57673	1.4
62.06246	1.3
70.91822	1.5
80.34839	1.6
82.91512	1.6
85.02914	1.6
96.07196	1.6
106.04449	1.7
127.56326	1.6
139.27777	1.8
225.87708	1.7
227.07994	1.7
278.93115	1.8
286.53702	1.9
301.52917	2.1
315.14276	3.2
327.14340	2.1
393.57977	2.0
419.96466	1.8
447.18317	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2202
Annotation	Trp Glu Ile
Peak:m/z	Relative Intensity
57.20547	0.9
63.29946	1.0
72.26510	1.0
79.14455	1.0
96.07049	1.1
101.03532	1.0
103.74593	1.1
119.51501	1.3
120.57490	1.2
264.22748	1.1
275.07434	1.7
352.05875	1.3
447.21967	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	447.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	4.1
57.95207	0.7
58.99387	0.7
64.24598	0.7
67.05466	1.2
68.52446	0.7
69.93027	0.7
70.56965	0.7
79.05470	3.3
85.06565	1.9
89.03905	2.7
91.05468	3.9
93.07045	7.2
95.04970	5.0
103.05449	1.8
105.07062	1.0
107.04946	11.8
109.02877	0.9
110.03603	1.9
117.03358	4.0
121.06514	1.9
121.53828	0.8
123.04436	2.4
126.03111	1.6
131.08533	0.9
134.03650	1.1
135.04401	22.4
137.09605	1.3
138.03111	7.0
141.05470	2.9
145.02823	3.8
149.05959	5.8
153.05452	100.0
157.34496	1.0
163.03886	55.7
167.07037	1.7
177.05460	8.5
177.06897	1.3
180.04190	2.0
183.06551	1.6
186.05461	1.1
188.56903	0.9
195.06506	35.2
195.08261	1.9
213.07545	21.1
217.15906	1.8
299.12601	1.2
381.20694	1.8
393.20450	1.3
404.98981	1.0
447.10590	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	447.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.1
55.21167	1.0
60.04519	10.7
70.06596	2.2
70.11008	1.0
72.08147	44.6
77.47553	1.3
84.04497	4.9
84.08140	2.1
86.09698	100.0
87.05573	9.2
96.08120	2.0
102.05540	4.1
114.09161	10.9
130.05023	3.0
148.06032	16.0
159.11287	46.7
173.12915	4.3
187.10738	22.5
201.12460	4.0
247.12912	2.8
261.14420	37.1
264.69180	1.4
266.69339	1.2
300.19122	7.9
356.45477	1.4
406.16562	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	447.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09564	1.5
52.24747	1.7
53.03955	1.6
55.01863	3.4
55.05504	12.2
56.96544	2.4
57.03428	14.1
57.07056	4.3
61.10016	1.6
67.05496	19.5
69.07056	14.2
71.08646	3.4
72.07383	1.8
77.52695	1.7
79.05480	6.8
81.07054	18.3
83.08615	14.8
85.72453	2.0
85.73789	1.9
89.03912	6.9
91.05490	4.3
93.07037	6.2
95.08602	17.5
97.10156	8.9
98.06026	1.7
98.98440	14.8
107.08607	5.9
109.10149	6.1
111.08119	2.1
111.11720	2.3
111.39461	2.4
117.03377	11.9
119.04954	2.0
121.10139	11.0
133.78723	1.9
134.03683	3.1
135.11620	13.1
135.41229	2.0
136.99954	18.6
145.02869	24.4
147.04413	2.5
149.05975	6.9
149.13292	3.2
155.01051	15.2
158.06027	2.9
163.03899	3.3
177.05460	100.0
178.02623	4.6
186.05527	16.6
193.02548	3.4
195.06532	28.3
201.04024	2.6
214.24472	2.3
235.20692	4.0
241.59682	2.5
311.25729	12.3
377.28958	2.6
447.25046	23.9
469.35715	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	447.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09564	1.5
52.24747	1.7
53.03955	1.6
55.01863	3.4
55.05504	12.2
56.96544	2.4
57.03428	14.1
57.07056	4.3
61.10016	1.6
67.05496	19.5
69.07056	14.2
71.08646	3.4
72.07383	1.8
77.52695	1.7
79.05480	6.8
81.07054	18.3
83.08615	14.8
85.72453	2.0
85.73789	1.9
89.03912	6.9
91.05490	4.3
93.07037	6.2
95.08602	17.5
97.10156	8.9
98.06026	1.7
98.98440	14.8
107.08607	5.9
109.10149	6.1
111.08119	2.1
111.11720	2.3
111.39461	2.4
117.03377	11.9
119.04954	2.0
121.10139	11.0
133.78723	1.9
134.03683	3.1
135.11620	13.1
135.41229	2.0
136.99954	18.6
145.02869	24.4
147.04413	2.5
149.05975	6.9
149.13292	3.2
155.01051	15.2
158.06027	2.9
163.03899	3.3
177.05460	100.0
178.02623	4.6
186.05527	16.6
193.02548	3.4
195.06532	28.3
201.04024	2.6
214.24472	2.3
235.20692	4.0
241.59682	2.5
311.25729	12.3
377.28958	2.6
447.25046	23.9
469.35715	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	447.2736
Annotation	Berkeleyone A
Peak:m/z	Relative Intensity
55.05492	1.7
57.03410	1.7
57.07044	1.5
59.46201	1.5
61.15136	1.3
67.05493	12.6
69.07035	2.3
70.27808	1.3
70.74706	1.3
71.12971	1.3
79.05473	3.0
81.07047	12.8
83.08592	3.3
89.03906	8.0
93.07040	7.0
95.08593	13.4
103.56142	1.6
107.08570	2.5
109.10133	3.3
111.62048	1.6
117.03368	19.2
121.10122	9.6
123.11683	2.0
134.03654	2.8
135.04399	3.4
135.11670	11.3
145.02838	38.1
149.05962	9.4
158.05989	2.4
163.03932	2.3
177.05446	100.0
186.05469	12.8
188.85309	1.6
195.06525	34.8
235.20609	4.5
454.53653	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	447.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.0
56.13098	5.0
57.07069	65.5
67.05510	22.5
69.07054	10.3
69.72853	4.7
70.90130	4.3
72.97372	4.6
79.05499	17.4
81.07035	32.9
83.04978	11.6
84.58729	6.0
85.06555	14.1
91.05498	24.2
93.07037	37.9
95.04977	8.8
95.08627	17.6
105.07005	27.2
107.08636	19.4
109.06548	9.6
109.10197	16.0
109.59293	4.8
117.07027	11.9
119.08611	21.9
121.10151	6.8
131.08635	18.4
133.10194	7.6
135.08101	7.1
136.10374	5.8
137.06026	10.0
141.43079	5.9
143.08694	8.6
145.10178	10.3
147.08112	6.8
147.11736	10.6
159.11703	12.4
171.08031	6.8
173.13301	11.7
175.07610	12.9
183.11716	8.2
200.70383	6.4
201.16528	15.2
213.97865	6.5
219.13821	6.9
221.09827	6.2
229.15987	11.4
231.13815	9.3
259.13379	11.3
297.15115	10.9
297.18561	10.8
345.22165	10.1
359.67560	6.2
363.23315	11.4
381.67841	6.1
391.22925	10.5
419.29318	15.1
429.27921	19.1
441.11804	6.8
447.10538	29.8
447.28973	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03672	17.9
57.07076	100.0
62.01505	20.7
69.07070	23.2
72.73117	19.0
81.07073	26.0
81.76138	20.0
83.05007	42.2
85.06563	32.4
91.05466	28.3
93.07059	42.0
93.34643	21.5
95.08624	22.9
97.52658	22.0
105.07026	39.6
119.08639	43.8
149.02405	72.1
152.54880	24.7
153.76695	24.1
154.91110	28.5
161.91286	24.2
172.65103	28.1
173.13249	24.1
201.16428	29.8
279.13757	28.3
447.10367	66.8
447.29333	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	10.2
55.05522	9.6
56.17366	8.9
57.07063	95.4
57.07289	9.6
65.03944	9.3
67.05491	90.0
69.07064	15.3
79.05504	39.2
81.07045	95.6
85.06551	34.3
91.05482	55.0
91.71660	14.2
93.07036	99.7
95.04961	62.0
95.08616	49.2
95.17279	9.2
96.12138	9.5
100.07615	10.5
103.87066	9.1
105.07020	95.3
107.04948	11.2
107.08589	58.8
109.10152	91.0
117.07050	33.5
119.05041	13.1
119.08630	50.0
121.06572	11.1
121.10196	36.2
123.04480	43.8
123.11714	17.9
129.07077	28.3
131.08578	54.4
133.06528	12.4
133.10153	24.3
137.09586	70.3
141.07063	10.4
143.08672	24.4
145.06519	20.6
145.10164	48.4
147.08049	15.1
147.11780	23.0
157.10219	22.2
159.11743	26.4
163.07518	51.9
173.13385	16.7
195.08290	16.3
201.16431	15.4
202.06439	14.8
225.67540	11.6
229.12320	50.3
243.17645	12.0
245.11717	76.3
249.16537	13.3
257.11829	20.3
259.13428	39.6
360.36978	12.3
401.28592	17.3
429.28064	31.0
447.10461	79.5
447.28717	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76227	0.7
55.05511	2.1
57.07066	20.0
65.02793	0.7
67.05505	4.5
69.07065	2.4
72.08128	1.1
79.05480	6.0
80.06258	5.1
81.07043	19.8
85.06532	8.3
91.05466	8.8
92.06266	1.6
93.07031	20.8
93.07556	1.5
94.07854	3.4
95.04971	1.9
95.08596	10.8
97.20734	0.9
105.07024	14.6
106.07838	1.7
107.08585	27.2
107.09249	1.8
108.09387	2.8
109.06541	0.9
109.10153	5.4
117.07056	2.1
119.08570	24.0
121.02911	3.4
121.10126	21.5
121.10969	1.4
123.11761	1.5
131.08597	3.6
133.06541	1.3
133.10146	2.3
134.10970	4.1
135.11731	1.9
137.05934	6.4
145.10170	4.5
147.11760	2.4
149.13287	2.5
151.07550	2.5
157.10083	1.3
159.08189	1.4
159.11734	2.8
161.05956	100.0
161.13307	4.0
173.09628	1.3
173.13281	1.0
175.07584	1.5
177.16353	6.1
181.06406	1.4
181.10201	2.1
183.08232	1.5
185.09698	1.8
187.14832	1.9
189.09163	2.0
196.08820	5.1
197.09659	3.1
201.09175	4.1
201.16797	1.0
202.17218	1.2
209.09695	2.7
213.09132	1.5
215.10823	1.6
217.12294	3.6
223.11264	2.3
225.09196	2.8
227.10728	2.5
239.14284	9.9
245.11771	5.3
248.35146	1.0
251.14342	1.2
253.12259	1.6
255.10283	1.9
259.13458	1.9
267.13757	22.6
267.16443	1.4
267.80737	1.1
269.15375	3.4
285.14844	21.0
297.14767	5.4
299.16537	3.2
307.16879	1.9
325.17984	1.9
353.21396	1.9
363.23080	3.4
447.10611	2.5
447.28943	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	447.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09626	9.4
57.07067	100.0
61.16642	7.3
62.11766	9.5
81.07068	16.3
85.06525	36.5
87.32688	8.4
91.05459	28.9
93.07046	87.9
95.04951	26.4
103.71312	8.9
105.07025	21.9
111.16235	10.6
131.08553	20.0
135.85884	10.1
136.73262	9.6
137.09615	17.7
143.08553	18.2
220.89618	10.0
355.22818	22.0
447.10571	23.0
447.28564	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	447.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07280	3.4
57.07072	93.3
58.24507	3.1
67.05502	7.9
67.65287	3.6
69.38640	3.1
70.80727	3.8
76.03469	3.5
78.79922	3.7
79.05486	4.5
81.07040	11.4
83.04903	4.1
85.06544	43.3
91.05472	33.6
93.06484	7.4
93.07039	100.0
95.04963	22.5
95.08630	3.8
103.11420	5.0
105.04524	4.4
105.07014	15.9
107.04972	4.2
118.06565	5.0
118.81959	4.2
119.04977	4.6
119.81952	3.7
121.06499	5.5
129.06989	11.2
131.08568	28.3
137.09602	12.8
138.01657	3.9
143.08577	12.4
145.10150	5.2
149.72043	4.0
151.11143	4.8
155.08604	6.1
173.09656	5.7
182.65953	4.2
201.12650	4.4
216.15054	6.9
217.12338	5.9
227.14319	15.9
243.33495	4.2
253.15691	4.3
267.17728	4.7
271.16956	7.5
299.35068	4.1
345.22086	8.5
355.22903	22.4
363.23053	14.3
429.27783	4.6
447.10568	8.0
447.28793	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	447.3466
Annotation	Diisodecyl phthalate
Peak:m/z	Relative Intensity
51.48278	20.8
55.05488	55.5
57.07052	49.1
65.04333	21.7
67.05486	33.0
67.62354	21.9
71.08605	27.6
71.13179	27.1
74.04001	21.8
81.07063	32.2
82.98972	24.6
85.10143	22.7
95.04955	27.7
102.52567	27.0
121.02296	24.0
135.24182	32.6
148.73073	26.5
228.32117	26.4
278.17233	31.3
403.31924	100.0
447.34552	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	12.5
57.03416	15.8
57.07073	5.5
58.96264	4.2
59.05005	4.9
60.04524	8.7
68.05022	5.3
68.60669	4.4
69.03422	11.4
69.07064	10.5
69.49642	5.0
70.06583	56.4
71.04985	10.5
72.08141	44.7
72.68345	5.0
73.08473	6.3
74.06064	10.3
76.37716	5.5
79.05476	7.0
80.04971	6.4
81.03395	7.0
81.07052	15.4
81.28294	5.2
83.04984	10.6
83.06097	10.8
84.04491	72.0
84.08141	11.4
85.02896	29.5
86.09695	75.4
87.10030	10.0
89.03909	5.7
91.05471	12.2
93.07046	15.5
94.66027	5.8
95.04975	18.9
97.02901	11.3
102.28027	5.3
103.14970	5.1
105.07013	12.3
107.04948	7.2
109.07674	6.8
110.07164	5.4
111.02706	14.8
117.03413	11.0
119.08578	7.8
121.06479	6.0
123.02627	6.5
123.04379	6.2
123.08144	7.9
124.02159	11.5
127.02084	6.6
130.05028	13.1
131.08577	6.4
132.10233	5.6
133.10170	8.7
138.03732	35.5
139.02155	6.5
140.05289	13.5
142.03189	6.3
145.02834	20.8
145.10097	5.7
147.08128	5.8
149.02339	6.0
150.03743	8.2
151.03844	6.9
157.03188	13.2
166.03197	100.0
167.01611	17.6
168.04785	27.7
173.12885	5.9
175.11203	19.6
177.05453	65.2
184.04327	14.5
186.05557	16.9
187.14500	12.3
193.12276	7.6
194.02751	17.5
195.06517	20.8
198.05745	7.0
199.04178	10.3
199.07262	6.6
211.13371	8.0
215.14265	10.3
216.06879	10.5
223.05400	26.5
233.15350	23.3
250.05304	11.3
251.05592	5.1
251.09027	10.5
251.16431	39.7
263.13821	7.0
269.05902	87.8
269.10367	18.3
269.17578	8.7
283.07550	18.9
287.06754	6.9
301.08475	95.0
347.07535	13.4
373.10541	26.1
434.45880	7.0
448.13281	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	448.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	15.3
57.03443	9.6
57.07058	14.0
60.04510	40.4
60.98658	8.1
65.03942	11.6
67.05491	19.9
69.03413	14.4
69.07057	20.5
70.06583	14.1
70.43367	7.8
79.49647	8.8
81.03423	12.4
81.07049	13.8
85.02882	22.2
85.06537	12.6
91.05463	20.7
93.07049	55.5
95.01326	17.4
95.04964	22.4
95.08604	21.5
97.02881	16.5
105.07023	34.7
107.08618	12.0
109.06480	13.9
111.04438	12.3
112.73523	9.0
113.02362	15.3
119.08584	28.6
123.04469	10.4
125.02339	16.2
127.03896	13.2
128.06201	9.7
131.08530	31.0
133.10120	14.1
135.08072	14.0
137.05954	47.2
139.07576	12.5
141.09093	22.0
147.04378	17.3
147.08063	37.6
151.07497	21.3
155.03421	64.0
165.09093	100.0
167.07013	14.5
173.04390	13.4
177.09198	21.5
183.02844	24.6
189.09160	13.1
201.62740	10.4
203.07031	13.4
233.08073	11.7
233.15495	24.9
235.09521	22.8
241.29448	10.9
251.16560	23.5
259.09540	12.9
261.11319	26.6
277.10626	18.7
279.12042	14.7
287.05493	23.9
294.34094	10.7
317.06616	19.0
323.11264	34.0
335.07623	37.9
341.12192	71.6
391.34338	10.6
395.09558	60.9
400.19971	12.5
413.10834	39.0
431.11636	58.1
447.20950	19.2
448.21042	40.9
461.17068	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	448.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41668	1.8
55.01859	3.4
55.61265	1.6
60.04497	2.0
64.42789	2.2
65.87321	1.8
69.03422	7.0
70.06582	8.4
72.08144	17.3
74.06069	3.8
81.03401	2.2
84.04520	6.5
84.08138	4.1
85.02882	15.0
86.09697	14.7
91.05471	26.5
91.71626	2.3
93.07053	2.6
95.04956	2.1
95.08578	1.9
97.02884	3.1
101.45818	2.2
101.98949	2.1
103.05483	1.9
105.03388	8.7
105.07029	23.7
107.04958	6.7
109.06518	8.3
111.80401	1.9
113.85178	2.0
115.05474	5.7
119.04939	45.9
121.06494	5.6
123.08061	6.0
124.05231	2.6
131.04939	5.6
133.06490	27.9
135.08023	3.3
136.08806	2.6
137.06001	6.0
146.07219	3.7
147.04352	10.9
147.08038	7.2
149.06042	2.7
151.07538	33.2
153.46303	2.4
159.08061	9.4
161.05972	80.5
162.06763	7.8
163.07507	14.1
165.05559	4.2
168.44826	2.3
175.07510	10.2
177.09140	2.9
179.07005	23.6
180.07777	2.7
181.08655	4.0
187.07527	34.1
201.12285	3.1
205.08585	53.9
215.07040	5.3
223.09634	100.0
251.09143	5.8
263.33029	2.1
269.10175	22.0
310.07562	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	448.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.0
56.29998	2.1
60.04520	3.6
69.03423	6.6
70.06580	10.0
71.67220	2.8
72.08135	18.6
74.06043	2.7
84.04494	7.4
84.08130	6.3
85.02886	17.4
86.09683	16.3
87.72676	2.5
88.03962	3.0
91.05455	20.2
95.04932	3.3
97.02894	8.0
103.05443	4.9
105.03402	8.1
105.07021	18.4
106.05035	4.2
107.04960	6.1
109.06517	8.0
113.95817	3.0
115.05414	3.1
119.04930	45.2
121.06517	6.2
123.08072	6.4
130.08647	3.5
131.04939	6.1
133.06483	19.1
136.08788	3.8
137.06007	5.0
146.07220	3.5
147.04387	13.1
147.08011	10.4
148.06078	4.3
149.05933	3.0
151.03926	5.2
151.07532	34.5
159.08003	9.9
161.05954	71.5
162.06670	3.3
163.07535	14.8
175.07526	6.4
179.07051	23.4
181.08569	3.6
187.07518	28.1
205.08621	40.6
223.09644	100.0
233.15350	4.3
248.97609	2.8
251.09109	5.3
269.10178	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	448.2328
Annotation	icos#10
Peak:m/z	Relative Intensity
55.05510	13.4
56.96558	17.0
57.07067	22.7
76.73734	13.9
78.15045	15.7
79.05470	19.8
91.05467	14.9
95.08599	29.6
107.04926	24.0
107.08598	23.3
109.10158	34.2
121.10148	17.5
125.09620	66.9
133.06477	17.7
138.82796	15.7
145.06526	28.1
149.09650	92.9
157.65297	17.1
159.08014	80.4
163.03450	15.3
165.06984	19.9
170.49869	16.6
173.09618	54.0
175.07463	16.5
183.08029	22.3
185.09668	20.5
187.11093	22.4
210.10355	19.7
215.14346	60.9
225.12701	90.6
243.13864	100.0
244.78792	18.3
248.08784	15.7
252.87141	18.6
257.19016	61.4
265.95563	17.8
273.18423	56.4
285.18539	70.8
315.19482	77.7
407.12711	21.2
448.10831	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34736	2.8
53.73498	2.7
57.07067	53.1
60.04519	3.8
62.26262	2.7
67.05506	4.9
67.66574	3.0
69.03421	4.2
69.07063	4.8
70.06586	19.5
71.06914	5.2
81.07050	5.4
85.02898	14.6
85.06532	56.6
91.05480	14.3
93.07037	100.0
93.07640	5.5
95.04953	9.2
95.08588	7.7
97.02909	4.6
99.04417	4.8
105.07030	61.6
112.07634	4.1
118.67445	3.3
119.08578	4.4
131.08562	47.0
133.10136	3.1
141.09103	3.8
145.10159	7.2
151.07523	4.5
152.54510	3.4
165.09140	4.1
177.08977	4.6
187.14871	17.8
205.15834	29.4
233.15324	62.4
251.16400	71.8
287.05487	6.2
469.07861	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	448.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07053	6.7
57.33950	5.4
59.77406	5.2
61.33780	5.4
64.11697	5.0
67.05489	10.8
69.03445	6.2
69.07050	5.9
69.80644	6.1
72.21597	6.0
79.05483	22.2
81.07053	19.4
83.04971	75.4
85.02896	21.3
91.05497	30.8
93.07040	35.4
93.21641	7.0
95.04983	8.6
95.08599	17.6
105.07026	57.3
107.08595	85.2
115.93925	6.6
119.08582	10.1
121.06430	8.3
121.10153	20.4
131.08553	23.7
133.06540	7.5
135.08083	7.5
145.10049	11.1
149.09583	52.3
151.07570	25.4
159.11659	14.2
167.10695	14.8
177.09082	47.7
187.14890	17.2
195.10194	43.2
202.95052	6.5
205.15854	49.3
215.14258	9.9
217.17697	7.4
233.15326	66.7
251.16411	100.0
383.71783	7.7
391.23227	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	448.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.1
56.56679	0.8
57.07041	0.8
67.05490	1.4
68.75241	0.6
69.07043	0.9
69.68000	0.6
69.74999	0.7
71.08609	0.8
77.61916	0.7
81.07030	2.2
83.08607	1.3
89.00328	0.8
91.05488	1.3
93.07049	1.4
95.08562	1.9
119.03568	1.8
124.84666	0.8
136.06178	100.0
137.04578	1.3
139.51411	1.0
355.99164	1.0
369.64828	0.9
437.18793	0.9
446.72488	0.9
448.29095	28.3
451.64374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59147	6.2
55.05509	17.4
55.53871	6.3
57.70005	5.8
67.05498	66.7
69.07059	24.6
71.04969	12.8
79.05486	19.2
81.07050	82.6
83.08604	15.7
91.05479	20.7
93.07034	38.6
95.08593	58.1
107.08569	26.1
109.10139	20.3
117.08286	6.6
119.04934	24.6
121.10141	48.1
132.08109	20.1
135.11682	50.8
138.82037	7.1
147.04395	100.0
165.05493	20.7
165.09074	56.6
166.09441	15.1
217.19498	12.4
235.20569	7.6
252.23259	27.7
263.75485	7.9
267.23199	7.9
321.10416	10.1
360.29034	8.9
384.28854	8.7
393.43607	8.0
416.27914	14.3
430.29535	15.8
448.30765	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	449.1074
Annotation	SCHEMBL4227921
Peak:m/z	Relative Intensity
50.32079	1.0
50.59867	1.2
55.01865	2.5
55.05495	1.3
57.03428	7.0
59.34027	1.1
67.05485	4.3
69.03408	2.0
69.07059	1.2
70.06588	3.7
71.04609	2.6
71.04983	35.7
72.08161	1.5
74.72910	1.1
79.05483	5.5
79.36834	1.1
81.03419	1.6
81.07047	7.7
83.04957	3.6
84.04497	1.5
85.02898	41.4
86.09684	2.3
88.37730	1.1
91.05468	3.6
91.71561	1.6
93.07056	3.2
95.04978	2.1
95.08629	3.2
97.06479	1.6
98.06036	1.7
102.44352	1.1
103.05484	1.9
105.07022	4.3
107.04938	8.0
107.08600	2.7
109.06493	2.0
109.10141	1.5
111.00822	2.1
111.04421	1.6
111.08062	1.6
117.07004	2.0
119.08598	2.3
120.08050	1.6
121.02827	1.6
121.06501	1.5
121.10128	2.7
123.04458	1.7
123.08083	3.6
125.09642	4.9
127.03904	1.4
129.05467	6.2
131.04944	1.4
131.08588	1.5
133.06453	2.0
133.10194	1.9
135.04448	2.8
135.08072	5.8
137.02351	5.8
137.09610	2.5
145.10077	2.9
149.09641	2.3
151.07535	3.2
151.11057	2.2
153.01854	5.9
153.04321	1.6
153.05486	5.3
153.09129	1.3
160.80289	1.3
165.01840	4.2
169.10162	2.1
183.02925	1.7
187.11223	2.7
215.10655	6.3
229.05038	5.3
233.11681	9.3
241.79358	1.7
251.12749	7.7
257.04584	2.2
269.13858	9.9
285.03809	1.9
287.05423	7.7
297.11401	1.5
303.04956	100.0
304.05392	2.8
309.15247	1.4
335.08630	1.5
345.06018	2.1
355.31085	1.7
449.10590	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	449.1076
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03931	0.6
55.01860	0.6
57.03413	1.2
61.02900	1.4
68.99766	0.8
69.03419	6.7
71.04968	0.9
73.02905	0.6
73.76168	0.3
77.49143	0.3
79.05455	0.4
81.03405	2.9
85.02895	16.2
87.04452	0.7
91.03951	0.9
92.36252	0.4
93.29765	0.4
97.02883	6.0
99.04427	0.9
103.92712	0.4
105.69415	0.4
109.02859	1.5
111.00799	1.4
121.02842	3.4
127.03937	2.2
137.02324	1.1
145.04948	2.1
145.06445	0.6
147.04340	0.6
153.01826	5.1
157.06470	0.6
165.01834	2.6
183.02872	0.9
185.05902	0.6
213.05420	1.9
231.06480	0.9
241.04878	0.8
252.99974	0.4
258.05231	1.2
287.05475	100.0
288.05869	1.8
306.82419	0.4
409.40085	0.5
463.97018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03918	0.7
54.81447	0.1
55.01851	0.6
57.03429	1.1
59.04977	0.2
61.02920	1.8
65.03914	0.3
66.07293	0.1
66.75225	0.1
68.99791	0.8
69.03420	5.8
71.01318	0.2
71.04967	0.7
73.02917	0.9
75.55132	0.2
81.03407	2.6
85.02895	15.7
87.04440	0.5
87.12230	0.2
91.03940	0.6
95.04948	0.3
97.02882	5.2
99.04460	0.9
105.03381	0.6
107.04936	0.8
109.02866	1.6
111.00785	0.8
111.04399	0.4
121.02850	4.3
125.13699	0.1
127.03909	2.5
133.02815	0.7
135.04477	0.2
135.77621	0.2
137.02321	1.6
145.04948	1.5
145.06450	0.3
147.04414	0.5
152.92052	0.2
153.00566	0.4
153.01814	5.6
155.16740	0.2
157.06458	0.7
161.05956	0.2
165.01805	2.4
171.04297	0.4
183.02879	1.2
185.05974	0.6
197.05978	0.3
203.06949	0.3
213.05460	1.8
231.06541	0.6
241.04901	0.8
258.05203	1.6
259.06012	0.3
287.05463	100.0
288.05792	1.6
387.75421	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	449.1076
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
53.52346	1.5
57.03425	7.2
71.04608	3.6
71.04984	52.3
75.04476	2.5
75.81992	1.5
83.04989	1.5
84.86172	1.5
85.02424	3.3
85.02898	43.9
115.47585	1.8
129.05476	7.0
137.02341	5.6
153.00591	1.9
153.01828	5.9
165.01796	2.3
229.05016	3.8
257.04514	3.5
258.61493	1.8
284.00046	2.1
303.04959	100.0
304.05243	3.3
315.85107	2.2
316.13718	2.1
329.12790	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	449.1076
Annotation	Quercitrin
Peak:m/z	Relative Intensity
55.05497	2.1
56.57544	1.2
57.03426	6.2
60.00080	1.1
61.55533	1.2
67.05475	1.4
69.03420	10.6
71.04987	45.8
72.08159	1.7
80.09358	1.3
81.03436	1.7
81.07084	1.5
85.02898	43.0
85.06531	2.0
86.09689	1.6
87.04465	2.3
91.05459	2.7
91.71033	1.9
93.07053	1.6
97.02864	3.8
105.22268	1.5
105.63928	1.3
115.03014	1.4
121.02867	2.4
129.05481	6.8
135.93188	1.5
137.02319	10.9
145.04921	1.7
153.01859	6.3
165.01903	3.8
177.09015	1.9
183.02951	2.5
201.05498	2.7
229.04979	7.0
251.12816	2.3
251.16476	2.0
257.04553	3.6
285.03897	2.2
287.05521	25.5
287.08594	3.0
303.04956	100.0
315.04922	8.5
317.06528	1.9
327.04962	3.6
345.06009	7.9
369.05710	3.8
413.08609	6.9
431.09515	3.5
449.10699	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	449.1074
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
51.81546	1.3
54.11596	1.3
57.03430	10.5
58.48145	1.3
60.31625	1.2
61.02932	2.9
71.54097	1.5
73.02906	23.2
77.11719	2.1
110.84843	1.9
118.40134	1.8
121.02881	2.0
138.43256	2.2
139.03979	3.2
147.04372	2.0
153.01791	10.3
153.95619	1.9
228.04362	2.9
229.05048	4.3
257.04639	3.5
271.24991	2.0
274.04709	2.9
278.52435	2.1
285.03973	5.9
287.05472	16.7
302.04089	12.0
303.05222	4.1
317.06519	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	6-Hydroxyluteolin 7-rhamnoside
Peak:m/z	Relative Intensity
55.01860	2.0
55.05495	2.7
57.03416	7.2
67.05482	3.5
69.03410	4.4
69.07062	3.0
70.06574	7.0
71.04980	46.8
72.08145	2.4
81.03416	3.9
81.07051	9.7
81.18098	1.8
82.69503	1.7
83.04979	4.8
84.04478	2.2
84.08170	1.7
85.02892	45.4
86.09711	3.6
91.05486	4.8
93.07026	8.5
95.04964	4.9
95.08585	4.2
97.06512	3.0
99.04446	2.0
105.07036	3.6
107.08585	3.8
109.02819	2.1
111.04414	2.5
116.07106	3.0
118.22574	1.8
119.08567	3.2
120.08088	7.2
121.06415	2.2
121.10114	2.6
129.05460	7.3
131.08531	4.8
133.10089	2.0
135.08057	1.8
137.02335	4.0
145.10130	4.1
153.01860	7.8
175.11237	6.2
176.11572	3.8
177.09140	1.9
211.13313	5.3
215.14223	3.9
221.15518	2.1
229.04926	4.7
232.48790	1.7
233.05063	1.7
233.15364	3.7
251.16420	12.2
252.16838	5.2
257.04477	3.4
263.13864	2.1
269.17499	9.1
287.05493	25.2
297.21979	1.8
303.04950	100.0
399.30472	1.8
451.61877	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	449.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.1
57.03413	0.9
61.02900	1.8
68.99779	1.3
69.03415	5.5
71.04974	1.0
73.02905	0.5
73.40173	0.5
76.31126	0.5
79.05482	0.6
80.64642	0.4
81.03400	3.0
83.23155	0.4
84.44794	0.4
85.02895	14.8
85.04375	0.4
86.09676	0.5
87.04449	0.5
91.03938	1.1
93.07037	0.5
95.63942	0.5
97.02879	4.1
99.04467	0.9
109.02846	1.5
112.43491	0.5
121.02870	4.5
127.03900	2.0
129.65913	0.5
133.02861	0.8
137.02298	0.6
145.04944	1.7
147.04410	1.0
153.01822	4.7
165.01804	1.9
183.02855	1.2
185.06044	0.8
213.05481	1.3
241.04941	1.0
258.05182	1.0
287.05463	100.0
288.05750	1.8
290.95462	0.5
399.74173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05053	1.0
57.03206	0.9
57.03432	6.7
60.04248	1.0
63.77067	0.9
68.99771	1.0
69.07040	1.2
71.04984	32.1
72.08163	1.0
72.26308	1.1
73.02923	1.1
75.04496	1.1
83.05002	1.4
84.04505	1.8
85.02895	30.4
87.04473	1.2
91.05470	1.3
99.26975	0.9
100.25882	1.1
111.00826	1.3
121.02903	1.9
129.05518	4.7
137.02362	4.1
150.16397	1.0
153.01801	5.8
165.01884	2.5
183.03085	1.2
201.05511	2.9
229.05066	4.4
257.04590	2.8
287.05557	8.6
303.04959	100.0
304.05438	1.8
394.40176	1.2
397.63959	1.3
398.59073	1.3
407.74722	1.2
447.52441	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	449.108
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
52.62692	0.8
55.05497	1.1
55.63232	0.8
56.05019	1.6
57.03434	0.8
59.85746	0.7
60.04513	1.4
60.24994	0.9
60.32757	0.8
61.83955	0.8
67.05489	1.4
68.99809	1.2
69.07059	1.4
70.06583	14.2
72.08147	5.7
74.06078	1.9
81.07024	1.2
81.52947	0.8
84.04504	2.5
84.08115	1.6
85.02910	2.3
86.09698	9.6
87.10029	1.1
93.07073	1.2
97.02888	1.8
102.05497	1.0
104.05369	0.9
105.07052	1.0
107.04949	2.2
111.04379	1.0
116.07123	1.1
120.08108	1.9
121.02876	2.5
121.35796	0.9
130.05009	1.5
137.02328	1.9
139.03931	1.4
153.01840	5.4
165.01797	2.1
200.96872	0.9
213.05576	1.1
231.06380	1.1
241.04840	1.2
287.05487	100.0
288.05884	1.7
364.35315	1.0
420.30551	1.5
449.20059	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	449.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76731	4.6
66.65168	5.5
69.03415	6.6
74.84069	5.7
79.05483	6.9
80.11523	5.6
85.02917	11.6
85.06527	9.2
86.03227	6.1
91.05466	12.4
93.07034	47.9
94.07379	6.6
95.04974	6.5
95.08610	13.0
105.07019	7.8
116.05161	5.9
118.27496	6.2
119.08562	6.8
126.81905	5.8
131.08597	9.0
133.10117	8.2
159.11694	7.1
167.56203	6.4
171.28606	7.4
200.63921	6.5
233.15401	10.4
237.03545	6.9
251.16496	20.8
290.61249	6.4
449.13913	100.0
449.18286	65.6
449.36111	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	449.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09548	1.0
51.90036	1.0
53.46060	0.9
55.01859	3.6
56.05021	1.6
62.65560	1.0
64.39631	1.0
67.05503	1.4
69.03427	1.5
70.06582	4.1
71.18546	1.1
72.08152	2.8
81.03442	1.7
84.04003	2.6
84.04494	32.9
84.08121	1.8
85.02895	1.7
86.09689	4.3
91.05482	2.2
91.30106	1.1
95.04958	2.7
96.44297	1.1
97.02897	1.5
101.07150	3.6
105.03391	1.7
107.04929	1.4
111.04433	2.5
111.27464	1.1
119.04955	8.1
123.04428	51.3
127.03883	2.9
130.04999	48.0
135.04404	7.2
137.02379	1.3
139.03897	18.7
147.04422	26.1
147.07646	69.5
151.03902	81.2
153.05464	3.0
156.24229	1.3
161.05936	4.7
163.03903	5.8
165.05464	13.2
173.05936	5.7
175.03879	1.5
175.07657	1.2
177.05411	1.4
179.07001	3.8
181.04947	9.5
187.07465	1.4
189.05409	1.5
193.04961	5.4
207.06532	5.1
215.07185	1.6
217.08586	2.7
243.06667	1.6
272.97797	1.3
285.07590	2.5
303.08612	100.0
387.05386	1.4
426.39166	1.5
447.61288	1.3
449.13922	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	449.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65974	1.1
57.23305	1.1
62.50166	1.1
64.31303	1.3
67.17042	1.2
69.47343	1.1
70.06586	3.4
75.69275	1.3
79.48258	1.3
84.04496	62.8
85.02911	1.8
86.09691	2.8
95.04990	2.3
101.07135	7.6
102.05518	2.1
119.04922	3.9
123.04432	19.5
127.03841	2.0
130.04997	85.2
139.03918	7.2
147.04453	11.9
147.07639	100.0
151.03891	45.8
161.05972	2.5
163.03911	3.5
165.05446	3.8
173.06004	2.7
181.04961	4.0
193.05032	1.6
207.06583	1.7
225.61966	1.6
230.41396	1.6
232.57834	1.5
303.08609	27.4
434.37518	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	449.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07058	9.6
69.03419	69.3
77.65347	8.9
81.07030	51.9
83.08517	10.8
85.02903	73.2
87.04456	28.2
87.32776	9.7
95.08594	14.8
97.02891	32.3
108.69302	9.2
115.03938	42.0
116.18579	10.3
133.04997	21.2
145.05029	16.0
179.49333	10.0
249.14882	14.4
278.66779	11.5
313.49060	12.1
427.15778	34.7
432.14670	15.7
449.10446	40.7
449.17642	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11963	2.2
73.02914	4.0
79.38640	2.1
81.07067	3.4
83.54874	2.3
85.02896	4.0
91.71068	3.9
93.07043	3.1
95.08621	2.8
116.35474	2.3
123.19481	2.2
155.70973	2.5
165.16771	2.4
176.86319	2.4
269.11600	8.9
271.13083	3.3
277.10251	2.9
287.05478	16.9
318.21109	3.0
344.55609	2.8
392.44196	2.9
449.17944	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	449.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	15.5
58.07409	1.5
59.88615	1.4
63.17585	1.2
65.96323	1.3
85.02904	4.1
85.06539	13.7
86.06889	1.5
91.05470	1.9
93.07037	29.4
94.07357	7.6
95.04973	1.9
95.08611	1.9
97.02888	1.9
98.04390	1.4
105.07034	12.1
106.07395	3.9
107.08568	1.8
131.08510	8.2
132.08922	2.8
187.14873	3.8
188.15166	3.3
205.15916	6.2
206.16258	4.7
214.53102	1.9
233.15318	11.5
233.72058	1.7
234.15654	7.9
247.96312	2.4
251.16341	9.9
252.16756	8.3
257.11526	1.8
287.12573	2.6
329.45996	2.0
339.14163	3.1
434.15588	2.5
449.17841	100.0
450.18127	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	449.178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93638	1.7
56.44001	1.6
57.07055	2.6
59.55761	1.7
74.65682	2.0
79.05482	1.7
79.42174	2.1
95.08591	2.6
119.08581	2.4
131.62939	1.8
133.06453	2.2
137.05963	9.7
147.04454	3.8
171.15921	1.8
181.19063	2.0
312.53519	2.3
345.13193	2.6
363.14740	2.3
408.14285	3.1
427.16092	10.4
449.17767	100.0
450.17981	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57332	1.9
61.18499	1.9
70.06593	4.2
81.07043	2.4
85.02934	3.0
95.08634	2.8
95.68018	2.6
107.88223	2.3
131.08566	4.2
151.04027	2.7
201.03633	2.8
203.05341	3.9
236.33760	2.5
269.11560	5.0
271.13095	3.2
272.10611	3.2
284.28058	3.5
287.12662	3.6
305.64966	2.8
335.09232	11.2
449.17981	100.0
450.15182	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	449.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	1.3
58.06595	4.0
60.04519	1.0
69.07091	1.0
70.06579	2.7
72.08140	4.8
74.06066	0.9
84.04493	2.7
84.08135	100.0
85.02878	0.8
85.08463	1.1
86.06049	1.9
86.09718	4.3
95.04964	0.9
102.05504	0.9
123.04432	2.5
126.05523	1.3
127.12315	34.1
129.10225	1.5
139.03952	1.3
151.03943	3.3
179.03365	1.8
179.07018	2.4
191.60699	1.0
207.06590	1.4
249.34189	0.9
317.10071	1.3
339.08426	0.9
372.53772	1.1
374.29755	0.9
404.06445	1.0
431.17911	1.7
449.18985	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	449.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29303	2.2
57.49973	1.9
58.24908	2.5
62.28052	2.4
77.37856	2.4
87.95806	2.3
137.06009	3.9
142.13934	3.0
152.64349	2.7
240.18056	3.2
245.49989	3.3
246.28128	3.3
392.29144	3.1
449.19897	100.0
468.87341	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	449.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76373	2.2
55.05505	6.3
57.03418	6.5
57.07064	3.7
61.91439	3.5
64.53667	2.7
65.19355	3.0
67.05496	21.9
69.03416	9.5
69.07049	9.9
70.06567	6.1
71.04984	56.6
79.05468	10.6
81.03410	7.6
81.07047	33.9
83.04919	7.6
85.02898	50.8
85.06538	3.9
87.04517	3.2
91.05463	9.9
91.71689	6.0
93.07033	26.4
95.04977	5.0
95.08588	25.8
97.06540	7.1
101.05992	3.3
105.07017	12.8
107.08581	16.9
109.02816	5.5
109.06542	6.0
109.10152	13.1
111.04401	6.5
111.08073	7.6
117.07048	4.3
119.08600	17.1
121.06487	5.0
121.10098	15.9
123.04463	5.2
123.08096	4.4
123.11701	13.4
128.47835	3.0
129.05507	11.8
131.08571	10.0
133.10135	12.2
135.08034	4.4
135.11691	11.1
137.02348	8.7
137.05986	5.2
139.11278	4.1
145.10106	13.7
145.11224	3.1
147.08046	7.2
149.09610	6.3
151.07552	12.4
153.01805	5.9
157.10156	5.5
159.08078	7.1
159.11662	7.1
161.09616	10.0
165.01813	4.0
167.10684	3.4
173.09633	7.7
175.14894	17.9
177.09061	8.3
179.10683	8.8
187.14832	11.7
197.13219	6.9
203.14316	11.5
215.14256	28.5
221.15401	10.4
229.05020	6.5
233.15363	10.0
239.16516	6.4
251.16405	51.8
252.16747	4.1
269.17426	49.9
287.05499	7.8
287.18506	5.3
303.04962	100.0
304.05402	6.6
315.20932	3.5
343.28732	4.2
423.31427	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	449.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33936	1.7
55.01867	1.9
55.05254	2.3
55.05502	28.8
57.03428	2.2
57.07050	2.2
59.04988	11.2
60.32312	1.4
61.02897	1.7
65.53980	1.4
67.05493	1.8
69.03402	5.9
69.07043	10.7
70.06557	2.1
73.06535	5.2
79.51350	1.5
81.03408	22.3
81.07036	8.4
83.04972	29.5
85.02876	7.5
91.05466	2.6
93.07028	5.2
95.04974	2.3
95.08604	10.1
97.02893	4.7
101.06007	100.0
105.07006	2.5
107.04974	3.4
107.08597	3.1
109.10164	4.4
111.11713	7.7
115.03977	2.7
120.67493	1.9
121.06469	2.9
121.10139	18.5
125.23720	1.6
131.08531	4.7
133.06564	2.7
135.08096	2.2
139.11168	39.4
139.12270	2.3
149.09613	4.5
159.08046	3.7
177.09103	21.0
215.14221	3.3
228.34187	2.1
236.77701	1.7
287.05490	29.3
326.09586	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	449.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.9
55.14724	6.7
57.03428	43.2
57.07059	35.0
62.65600	5.7
67.05492	20.7
69.07049	12.4
71.08618	32.0
79.05472	8.8
79.86648	7.2
81.07038	20.6
83.08630	7.1
85.10162	9.9
89.03934	10.4
93.07050	10.6
95.08594	23.5
98.98473	43.4
100.96080	6.9
117.03394	12.3
136.99950	45.2
141.36542	8.3
145.02852	27.0
147.04413	11.4
155.01033	46.1
155.79811	8.2
156.84540	8.4
159.02179	8.2
163.17911	7.6
174.66435	9.1
177.05444	100.0
186.05519	20.6
193.02612	15.0
249.05791	7.7
313.27374	48.4
327.39273	10.0
354.03131	9.6
449.26514	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	449.2895
Annotation	16-Feruloyloxypalmitate
Peak:m/z	Relative Intensity
57.07067	2.1
58.78944	0.5
59.51930	0.6
67.05495	1.3
69.07058	4.3
81.07057	1.6
83.05011	0.8
85.81039	0.7
89.03908	9.1
91.05457	2.0
93.06994	1.7
95.04955	0.9
95.08594	1.0
105.06988	1.3
109.10156	1.3
117.03364	17.5
119.08584	1.1
134.03609	1.3
135.04402	2.1
138.92424	0.7
145.01695	1.7
145.02838	32.3
149.05969	9.5
151.11195	1.5
153.37219	0.7
158.06004	6.4
177.05452	100.0
178.05827	1.4
186.05481	26.4
187.05818	1.6
287.97919	0.8
308.15237	0.9
340.15121	1.0
347.52844	0.8
468.03802	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44510	1.7
53.03934	3.8
56.15316	1.6
56.32809	1.6
57.07071	13.8
59.44397	1.3
62.54223	1.6
62.76474	1.6
67.05495	2.9
69.07048	2.9
79.05488	2.5
81.03365	2.1
81.07029	6.1
85.06522	4.6
85.86705	1.8
91.05473	11.2
93.07032	6.6
95.04993	2.5
95.08598	4.8
105.07027	19.1
107.04954	3.1
107.08588	7.1
109.06444	2.5
109.10120	6.0
116.96025	1.9
117.07007	10.8
119.08572	100.0
121.10162	5.2
129.06964	3.5
131.08545	5.3
133.10097	3.5
135.11707	2.1
142.07736	2.1
143.08548	6.3
145.10135	10.8
147.11639	4.1
149.13129	2.0
152.89018	2.0
157.10152	5.7
159.11670	7.8
169.10117	3.8
171.11621	2.4
173.13289	2.9
183.08095	2.4
185.09550	2.3
187.11131	2.8
191.14297	4.4
199.14873	2.9
201.16423	3.8
209.13579	2.1
220.91034	2.6
229.15755	2.3
231.13873	3.2
271.16824	5.8
345.18338	2.1
409.14542	2.8
427.16006	2.7
431.29330	12.0
449.30701	10.4
449.36145	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	449.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05537	9.0
57.07072	60.4
61.47904	7.9
67.05517	31.5
69.07063	14.0
73.58427	7.0
76.03569	6.6
79.05483	10.0
80.43330	7.6
81.07044	46.7
85.06549	29.9
91.05505	30.6
93.07060	29.8
95.08621	26.0
105.07061	36.5
107.08630	38.3
109.06564	13.1
109.10166	18.7
112.58688	8.9
116.67056	8.2
117.01772	10.7
117.07043	22.1
119.08570	58.6
121.06532	9.7
121.10197	16.6
131.08543	53.7
133.10175	18.4
143.08630	10.6
145.10072	55.8
155.08690	10.0
157.10127	15.3
159.11722	29.8
173.13228	53.4
175.14920	13.0
185.09824	9.7
201.16391	100.0
259.13358	10.7
261.15051	27.3
315.19647	19.8
330.61780	11.4
347.23453	11.2
449.30557	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3046
Annotation	Dodecanyl oroxylopterocarpan
Peak:m/z	Relative Intensity
54.43420	6.2
55.05489	8.7
57.07065	54.2
67.05493	20.6
69.03422	9.6
69.07062	13.6
78.19975	5.6
81.07034	29.7
85.06535	20.6
91.05474	13.9
92.85832	6.5
93.07030	18.4
95.04960	11.8
95.08593	19.7
105.07011	36.3
107.08588	18.0
109.10152	14.7
117.06992	11.9
119.08566	55.3
121.10149	17.1
131.08546	43.1
133.10118	17.6
142.07611	6.4
143.08569	9.9
145.10130	47.3
147.11681	10.0
157.10167	15.7
159.11682	57.4
161.13268	8.2
165.12732	10.9
169.10060	10.3
173.13229	33.8
187.11163	13.2
188.35637	5.9
201.16347	100.0
205.78239	6.7
229.15536	7.0
243.17451	23.0
249.14757	6.6
261.14865	17.8
271.16949	12.3
289.17892	86.7
303.19028	7.0
370.38043	7.0
427.16119	18.0
449.30386	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	449.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	45.5
57.07058	18.8
59.04984	8.2
65.03938	5.5
67.05495	31.5
69.03411	16.9
69.07068	16.3
79.05478	18.7
81.07037	33.7
83.04976	100.0
83.08604	52.7
85.06547	6.9
91.05465	28.7
93.07027	29.2
95.04988	8.3
95.08604	26.4
98.73687	5.5
105.07023	42.5
107.04942	8.7
107.08572	16.0
109.06498	14.1
109.10143	38.2
111.08070	22.5
117.07030	12.2
118.45240	5.1
119.08559	40.0
121.06514	7.7
128.06206	11.1
129.06976	14.9
131.08571	28.6
133.10117	19.4
135.08055	7.6
137.05980	11.9
143.08557	19.6
145.06435	6.6
145.10094	21.2
147.08037	12.2
147.11723	7.6
149.09558	12.2
149.39561	5.6
155.08588	10.5
157.06639	5.9
157.10049	26.2
159.08119	6.1
159.11668	9.9
161.09573	10.9
161.13249	8.5
169.10068	7.0
171.11729	8.5
173.09631	6.0
175.11191	8.2
177.09079	13.7
181.10184	8.1
182.11018	6.5
187.11096	11.6
195.11691	5.4
199.14890	14.8
211.15024	5.4
215.14400	6.8
217.15825	25.8
223.14867	5.7
233.15268	6.2
235.14793	9.3
243.13731	5.9
245.15363	18.8
270.80649	5.7
281.18896	6.1
285.18597	7.1
286.47427	5.8
299.20029	96.2
311.19958	14.3
391.26389	8.1
393.24203	73.5
409.14972	7.7
427.15887	16.8
431.29553	24.8
449.30319	14.9
449.36087	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	449.305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55422	4.8
52.89701	4.2
55.05493	15.8
57.07059	17.2
59.04989	13.7
67.05486	13.7
69.03422	6.6
69.07049	12.2
79.05470	19.0
81.07047	44.4
83.04974	19.5
83.08611	10.2
85.06535	7.1
91.05479	25.5
93.07043	35.7
95.04975	14.9
95.08595	21.2
100.22393	5.6
105.07008	45.2
107.08580	23.8
109.06520	20.5
109.10116	13.8
117.07021	10.3
119.08559	39.5
121.06505	14.6
121.10131	11.2
131.04912	28.8
131.08553	18.1
133.06488	9.8
133.10152	16.9
135.08040	11.0
135.11693	10.1
141.07001	7.6
143.08572	20.8
145.06487	17.0
145.10098	16.5
147.08081	10.6
157.10097	13.9
159.08052	10.8
159.11729	13.2
161.09598	30.8
167.08560	9.6
173.09653	7.1
173.13176	11.1
175.03850	8.3
175.11324	8.2
175.14862	5.5
183.11812	8.7
187.11307	8.3
197.13271	8.8
199.11243	7.8
201.12875	8.4
201.16460	17.5
203.10637	100.0
229.12254	8.9
231.13992	9.3
241.12236	7.7
243.13747	11.7
255.13899	7.4
257.15305	27.3
295.16730	9.0
300.24301	6.8
328.93423	6.8
335.19965	13.5
373.25345	7.1
391.26309	26.6
427.15182	7.4
431.29453	24.3
449.30569	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	33.3
57.07079	65.1
63.42802	11.0
67.05515	41.0
69.07063	16.7
70.65078	13.1
77.43666	12.7
79.05489	22.3
80.84422	12.5
81.07063	49.2
83.05006	55.2
83.08623	18.8
84.63081	13.8
85.06530	30.1
91.05487	37.7
91.71035	14.3
93.07050	46.5
95.08628	40.2
100.93813	15.7
105.07078	51.0
107.08625	44.3
109.10174	19.5
114.63087	18.7
117.07115	16.0
119.08604	100.0
121.10122	15.9
131.08617	30.5
133.10147	20.5
133.72543	13.9
135.11716	24.5
140.10927	14.8
143.08611	17.4
145.10205	40.1
153.52209	15.6
159.11688	20.7
170.69664	16.1
173.13248	34.9
183.11731	17.5
187.11166	19.4
201.12869	21.5
201.16460	42.7
203.14362	15.8
261.14728	20.2
273.18530	21.2
275.07928	15.9
321.18063	17.7
361.17426	18.5
431.29623	28.8
449.30502	62.4
449.36002	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	449.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	20.4
55.05492	16.0
57.03411	11.0
57.06843	9.1
57.07072	100.0
61.88791	10.6
67.05495	48.1
69.07054	31.3
79.05492	26.0
81.03432	13.9
81.06670	10.6
81.07066	86.6
83.04986	20.0
85.06532	35.2
89.40630	12.8
91.05477	44.7
93.07027	46.5
95.04939	18.2
95.08591	55.3
97.02878	17.2
98.98524	10.7
105.07020	54.9
107.04951	26.8
107.08578	47.0
109.10155	32.2
117.07028	24.6
118.47733	11.0
119.08587	73.6
121.10093	28.2
127.27657	11.8
129.07007	14.2
131.08575	43.7
133.06470	18.9
135.11667	14.4
137.09608	13.7
143.08565	18.8
145.10130	53.8
147.11766	14.9
159.08073	15.9
159.11728	44.6
160.22029	12.5
161.13190	16.3
165.12752	25.1
167.08659	17.0
171.11665	18.3
173.13243	44.6
175.14830	15.3
175.37756	12.8
189.12711	16.8
195.11635	15.8
201.12782	13.9
201.16402	38.0
229.12239	13.5
243.13811	24.2
261.14743	78.7
313.17969	17.3
315.19647	24.9
427.16019	33.0
431.29337	57.4
449.30167	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	449.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48407	6.4
55.05495	14.3
57.07064	92.4
61.14338	6.3
67.05486	29.4
69.07051	12.8
70.91875	6.6
79.05478	10.4
81.07037	60.6
83.08600	16.3
85.06549	41.9
91.05467	30.0
93.07034	44.7
95.04940	7.5
95.08589	37.4
105.07015	46.7
107.04952	13.0
107.08561	45.3
109.10165	28.2
117.07016	18.4
119.08563	100.0
120.22382	7.0
121.06532	11.4
121.10155	29.2
125.24235	7.2
128.06212	7.3
131.08554	38.2
133.10143	22.3
135.11659	12.1
137.09622	9.9
143.08553	14.9
145.10144	53.9
147.08058	9.2
147.11592	10.2
149.09650	9.6
157.10138	15.6
158.10919	8.9
159.11627	41.4
173.13243	33.1
175.14693	10.2
183.11694	10.8
189.12828	7.9
201.16345	81.1
215.14378	14.7
231.13847	9.1
253.12141	9.3
259.13266	15.6
261.14835	53.7
287.16232	10.9
315.19641	21.1
347.23373	13.9
355.23065	9.8
357.22223	10.2
393.24185	10.7
431.29727	11.0
449.30493	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	450.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06487	1.8
51.06722	1.8
51.90054	1.8
55.01864	2.7
57.03414	3.1
63.24817	1.9
65.48452	2.0
69.03415	3.1
70.06579	9.1
72.08143	9.1
74.06067	2.2
79.05508	2.7
79.10529	2.2
84.04499	8.1
84.08113	2.9
85.02911	3.4
86.09682	5.9
91.05499	3.0
95.04955	3.7
102.05513	2.3
105.03359	2.6
107.04898	2.3
119.04942	8.7
120.08102	6.9
123.04424	42.6
127.03977	2.8
130.04968	3.0
135.04393	6.7
137.05963	4.1
139.03903	17.7
147.04404	21.0
147.07657	3.2
147.85234	2.5
148.06085	3.9
151.03899	98.1
156.10219	8.2
161.05980	4.2
163.03888	7.0
165.05466	11.6
181.04933	6.8
185.29456	2.6
193.05022	6.7
198.81064	2.7
253.94794	3.4
268.71820	2.5
274.11966	2.5
288.08942	3.2
303.08606	100.0
303.12018	5.3
319.08112	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	450.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43297	2.2
52.99095	2.6
56.04998	2.5
70.06581	10.9
76.23228	2.5
80.05022	6.3
80.28727	3.1
81.07051	3.5
97.02877	2.8
98.54409	3.0
106.06549	5.5
106.47835	2.8
107.08605	4.4
107.16660	3.1
108.08131	14.1
108.60912	3.0
137.05925	7.8
151.03908	7.6
191.08542	3.9
217.51280	3.0
221.09444	4.1
223.91927	3.3
234.06593	3.6
249.09079	3.4
251.07056	5.2
263.07169	4.8
264.07867	4.6
268.07358	5.3
281.11743	7.8
283.09686	5.6
292.07132	6.9
303.06564	9.2
307.09625	5.0
320.06845	9.0
322.08389	4.6
335.09125	67.0
336.09552	4.1
349.10574	4.1
376.11591	3.8
406.16193	4.9
449.17828	5.1
450.15192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65582	2.8
55.01883	3.9
55.05516	8.5
57.07070	29.7
59.04999	7.6
67.05521	3.4
69.03416	21.1
69.06443	3.2
69.07072	15.0
71.04976	3.7
71.08644	5.2
74.73943	3.2
79.05508	8.7
81.07053	6.0
81.92139	3.3
83.04996	7.2
83.08612	8.2
91.05501	11.9
92.51436	3.8
93.07063	9.9
95.04959	6.4
95.08629	15.1
100.84834	3.9
103.05492	3.6
105.07080	13.9
107.08649	4.7
109.06514	5.3
111.04487	13.1
111.08123	9.2
113.09663	7.7
115.05502	6.5
116.37486	3.6
117.07018	5.2
119.04984	7.3
119.08630	14.2
121.06522	7.4
128.06270	7.2
129.07002	8.1
131.08623	14.4
133.06531	13.9
141.06999	7.2
142.07845	8.3
143.08614	12.7
145.06525	12.8
145.10205	14.1
147.04326	4.6
147.08072	7.3
155.07130	13.7
155.08617	15.0
155.57539	4.3
157.06532	5.6
157.10135	20.4
159.04482	8.9
159.08037	22.2
159.11795	5.6
161.05997	9.1
161.09717	4.8
167.08563	6.2
169.06657	4.8
169.10187	21.7
171.08040	9.6
171.11717	12.3
173.06030	7.2
173.09735	15.5
175.07637	11.6
175.11197	4.6
177.05548	16.1
179.08589	9.2
181.10197	10.0
182.10922	5.0
183.08076	5.5
183.11775	6.3
185.06012	8.1
185.09654	22.2
187.07619	13.0
187.11284	8.1
191.07091	6.2
192.09352	6.2
195.08174	5.6
195.11729	4.9
197.09686	17.6
197.13414	13.5
199.07603	9.2
199.11232	8.4
201.05554	7.3
201.09131	8.5
203.07106	10.2
205.05066	5.1
207.11729	4.7
209.09685	8.6
209.13336	11.1
210.10429	7.6
211.11235	7.5
213.05510	9.3
213.09221	16.2
213.12790	6.2
215.07152	12.4
215.10716	10.7
215.14294	5.5
225.09215	9.2
225.12686	19.4
227.14404	10.5
229.05055	8.2
229.08649	10.6
231.06610	9.6
231.10165	8.9
231.13895	4.3
233.08173	6.2
233.11856	11.1
235.11389	11.2
237.12854	16.5
241.08678	4.6
241.12439	4.8
243.06499	11.1
243.10210	13.0
243.13901	14.3
245.11513	5.2
253.12245	25.3
255.14030	11.2
263.10812	7.4
265.12387	5.7
269.08295	8.6
271.10233	6.4
271.13388	17.2
281.11765	20.1
283.13336	7.9
287.09222	4.8
289.14359	26.4
299.12698	25.4
301.14404	4.8
305.10474	5.0
305.14066	6.5
307.15457	7.6
309.11267	7.8
311.12851	5.2
317.10471	5.7
317.13925	17.0
325.84677	5.3
327.12396	17.4
335.11194	10.2
335.14819	57.4
345.13239	50.8
347.15173	6.0
355.11749	9.0
363.14304	52.4
373.12842	14.7
409.14771	52.4
427.15985	100.0
427.21591	7.6
433.20642	9.4
450.17661	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	450.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	2.4
54.51666	2.0
57.03418	5.7
61.02914	8.4
66.96636	2.0
69.03421	21.0
71.04983	3.0
73.02915	2.9
74.37791	2.4
81.03412	8.7
81.07043	4.3
85.02895	100.0
87.04450	3.2
91.71590	4.3
97.02885	26.9
99.04462	3.7
100.47262	3.0
109.02892	7.6
109.06493	3.3
111.48515	2.8
115.07475	2.5
119.03754	2.9
124.23331	3.1
127.03925	26.2
137.05989	4.4
145.04959	34.9
145.63699	2.9
163.06041	11.0
180.08772	3.0
335.32034	3.5
395.69037	2.9
436.19202	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02646	3.9
55.01870	3.6
55.12360	3.6
57.03421	24.1
59.04995	3.3
60.04491	4.9
60.59015	3.3
69.03419	100.0
69.03783	9.4
75.04465	5.4
85.02901	63.1
86.43060	4.0
87.04459	65.0
97.02880	78.3
114.18890	3.9
115.03921	95.5
117.07010	4.5
118.34958	4.4
121.06487	28.2
124.26808	4.2
127.03930	10.2
133.04956	80.3
135.08029	5.8
145.04922	5.3
145.06499	38.1
150.07602	12.6
163.07556	19.8
169.04947	6.0
175.07600	14.3
175.26413	4.2
187.07542	5.4
205.08601	5.4
217.08542	21.5
235.09677	10.7
254.34163	5.4
265.10797	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	450.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	2.4
54.51666	2.0
57.03418	5.7
61.02914	8.4
66.96636	2.0
69.03421	21.0
71.04983	3.0
73.02915	2.9
74.37791	2.4
81.03412	8.7
81.07043	4.3
85.02895	100.0
87.04450	3.2
91.71590	4.3
97.02885	26.9
99.04462	3.7
100.47262	3.0
109.02892	7.6
109.06493	3.3
111.48515	2.8
115.07475	2.5
119.03754	2.9
124.23331	3.1
127.03925	26.2
137.05989	4.4
145.04959	34.9
145.63699	2.9
163.06041	11.0
180.08772	3.0
335.32034	3.5
395.69037	2.9
436.19202	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.9
55.01856	1.7
57.03434	4.7
57.03661	0.9
61.02915	3.9
61.16498	0.7
65.03941	1.4
69.03423	11.5
71.04985	1.1
73.02903	2.0
81.03397	4.5
82.12224	0.7
85.02895	58.6
85.33805	0.7
87.04463	1.1
91.05469	100.0
97.02882	34.7
99.04424	2.6
109.02864	3.8
115.03917	2.3
117.07024	1.1
126.63371	0.8
127.03050	1.5
127.03900	12.0
132.08028	1.1
133.06467	1.1
143.08452	0.8
145.04944	18.2
145.06197	1.5
145.06429	1.2
157.06508	1.3
161.04422	1.8
163.06021	7.0
165.73907	0.8
171.08087	1.7
204.08670	2.1
213.35834	0.9
217.08627	2.4
229.55093	1.0
235.09685	2.2
253.10658	2.1
288.22372	1.0
313.46060	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01867	1.1
57.03418	3.4
61.02911	3.8
68.17053	0.8
69.03086	1.2
69.03421	12.5
71.04993	0.9
73.02886	1.3
81.03412	3.4
83.24487	0.9
85.02895	69.1
91.03944	3.4
91.05470	100.0
97.02885	33.8
99.04451	2.6
105.07014	1.1
107.04150	0.8
109.02869	5.1
115.03934	2.7
117.07001	1.7
127.03908	10.7
132.08119	2.0
133.06516	1.9
143.08588	1.0
145.04944	18.5
161.04495	1.4
163.06047	5.7
180.08722	1.2
204.08731	2.3
217.08583	2.3
235.09721	2.0
253.10803	2.3
257.11032	1.0
287.99713	1.1
301.03696	1.0
311.92194	1.3
341.03604	0.9
370.53635	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	450.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14605	7.2
72.04517	14.0
75.37255	9.1
81.29688	8.3
82.72564	8.2
82.75591	10.8
96.44949	8.9
108.88661	9.2
115.97964	10.0
120.20976	10.2
121.06536	9.7
121.44211	11.0
157.00601	15.6
160.00671	14.7
198.81926	10.0
227.72456	10.6
262.05438	10.4
390.21002	17.5
409.15259	18.6
427.16226	39.3
450.23050	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.7
55.05499	6.7
57.03434	18.1
67.05487	30.0
69.03419	8.5
69.07050	4.4
69.44727	3.1
70.06572	7.9
71.04979	13.5
73.02899	5.3
79.05475	11.8
81.03416	12.5
81.07046	16.9
83.04973	6.4
83.08596	6.3
85.02895	100.0
86.09710	7.6
87.04436	5.4
88.40984	3.2
91.05464	20.2
93.07038	30.9
93.31466	3.3
95.04965	9.1
95.08606	38.6
97.02879	5.9
97.06528	12.1
99.04467	14.8
101.06046	4.3
104.10747	3.7
105.07012	17.9
107.04952	6.9
107.08603	24.8
109.06529	10.7
109.10149	23.3
111.08070	6.6
117.07035	6.9
119.08553	19.1
120.08152	3.8
121.06579	4.4
121.10085	4.2
125.06030	4.2
125.09663	5.0
127.03926	7.4
129.07060	6.4
131.08621	4.4
133.10172	5.1
135.08034	7.5
137.05969	4.8
137.09593	13.2
143.08638	6.6
145.04938	5.2
145.10141	4.2
151.07613	3.8
153.05450	17.7
155.08618	4.4
155.10670	5.3
157.10132	21.9
161.09666	6.5
165.05502	5.5
167.07053	3.8
171.11690	6.9
175.11147	11.0
179.68269	3.5
189.12662	4.0
199.11128	8.0
217.12221	23.4
235.13319	27.1
253.14314	18.7
271.15167	4.5
288.05820	8.6
289.07010	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	450.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.9
59.17540	2.0
65.03930	2.3
66.91969	2.2
67.05494	43.2
69.07066	7.0
71.06124	2.1
76.48541	2.4
79.05475	11.9
81.07050	35.5
83.08610	5.3
89.03908	6.5
91.05463	4.7
91.71675	4.8
93.07029	19.5
95.04992	3.2
95.08602	41.4
97.10091	2.6
104.54486	2.4
107.04921	3.5
107.08594	9.4
108.90993	2.6
109.10125	13.4
117.03348	6.7
121.10125	31.6
123.11711	7.4
133.10106	3.1
135.04420	24.0
135.11699	39.3
145.02831	9.0
147.04407	2.8
148.81358	2.6
149.13281	3.7
163.03889	100.0
177.05492	9.0
178.05800	7.3
181.02873	2.7
181.04858	12.7
186.05531	10.5
217.19487	7.7
235.20560	23.7
253.21613	5.1
287.68207	3.4
290.95721	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	450.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.7
61.48850	1.9
61.68107	2.3
63.98813	2.0
67.00486	2.3
67.05495	38.1
69.07059	7.5
79.05483	8.0
81.07048	41.1
83.08604	9.0
84.61668	2.2
89.18755	2.1
91.05487	16.1
91.71033	2.5
91.71575	2.6
93.07050	15.7
95.08593	41.8
97.06538	4.3
97.10145	3.9
105.07009	2.9
107.08607	6.0
109.10156	22.1
111.08167	4.1
117.03370	2.4
118.95089	2.8
119.04935	24.3
119.08577	5.4
120.76019	2.8
121.10143	16.0
123.11753	7.6
133.10135	11.4
135.11708	14.3
136.87018	2.7
137.09726	2.4
137.13181	2.9
145.10152	3.5
147.04408	100.0
149.13225	6.6
151.11238	4.0
163.03900	9.9
165.05499	11.1
169.36749	2.2
171.66212	2.6
173.13170	2.7
189.16083	2.3
215.17958	11.6
233.18900	6.5
245.21007	2.6
251.20042	50.1
256.17087	3.0
328.34064	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	7.6
66.15666	2.6
67.05501	38.8
69.07060	5.6
79.05516	13.5
80.06281	2.8
81.07042	30.8
81.07475	3.1
83.08630	7.8
83.29285	2.7
91.05471	21.9
93.07034	20.8
95.08604	36.6
97.06548	5.8
104.95894	3.2
107.08639	11.8
107.30157	3.0
107.91753	2.7
109.10167	11.4
111.08099	7.4
119.04945	25.7
119.08601	5.1
121.10141	25.0
123.11730	8.6
133.10135	21.0
135.11665	21.5
145.10123	3.1
147.04414	100.0
147.11693	3.5
149.13283	6.6
163.03902	15.7
165.05537	5.9
176.10458	3.1
197.06450	3.5
215.18085	11.5
233.19063	7.9
235.20593	3.7
247.11186	3.4
251.20047	61.2
269.21225	7.9
279.33878	2.9
308.31253	3.4
308.90381	3.4
433.18332	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	450.306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74565	5.6
55.05504	40.9
55.91810	4.9
57.03427	8.4
57.07066	32.3
59.18440	5.5
59.52539	5.3
66.96051	5.4
67.05499	62.4
69.07060	56.8
71.08622	20.7
79.05482	20.6
81.07046	93.9
83.08612	69.9
85.10127	7.4
87.00815	15.4
91.05460	17.1
93.07036	35.5
95.08590	69.9
97.06519	15.8
97.10159	35.2
105.01878	7.7
107.08595	31.1
109.10154	38.9
111.08083	12.4
111.11703	11.6
119.04937	21.5
119.08536	8.1
121.10141	34.8
123.11700	26.1
125.09624	8.2
135.11684	31.3
137.13268	11.7
139.11200	10.2
143.53397	6.1
147.04414	100.0
149.13243	20.9
151.11000	7.7
163.03870	18.0
163.14870	9.5
165.05481	8.5
215.18002	15.7
219.20999	23.1
233.18892	6.9
237.22165	45.0
251.20045	46.8
255.23143	48.7
296.25732	10.7
323.22101	29.2
341.22882	29.5
359.24332	8.4
415.26898	89.3
427.15710	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	450.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96463	6.3
55.05494	9.5
57.07066	7.4
59.35971	5.8
67.05469	10.7
79.05489	8.4
91.05486	18.3
91.58975	7.7
96.49045	7.3
103.05449	40.3
103.71914	8.3
105.07031	21.3
106.06528	38.6
107.07331	48.7
110.36086	7.6
118.06590	16.2
120.08115	8.8
130.06538	10.9
131.04973	15.0
132.07973	9.9
146.09645	9.1
147.04399	7.8
164.02893	8.3
165.75195	7.4
173.59175	6.8
194.09680	13.7
208.11227	26.1
236.14508	8.4
290.53622	8.1
404.33063	100.0
450.33316	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	451.1236
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
55.01894	2.1
55.07535	1.9
57.03437	2.1
58.28821	1.5
66.28629	1.6
67.05504	2.1
69.03435	5.2
70.06602	3.7
72.08157	6.3
73.68650	1.6
75.57561	1.5
81.03430	3.0
81.07067	8.0
85.02894	20.7
86.09729	2.1
87.22317	1.4
91.05508	3.0
93.07033	3.0
94.87664	1.5
95.04971	2.5
95.08607	2.0
97.02855	2.5
105.07047	2.9
107.04951	57.3
107.08607	3.8
109.06579	2.9
111.04466	3.2
119.04990	4.0
119.08546	2.1
120.08116	6.4
121.02860	8.6
121.06564	2.2
125.09667	2.3
127.03955	4.1
135.04425	4.8
137.06073	2.6
139.03911	4.2
139.45406	2.2
141.07098	3.2
145.04967	3.6
145.06563	3.0
149.02330	65.9
153.01819	100.0
159.11707	3.7
167.03403	10.8
169.06509	4.4
171.02884	4.2
177.12827	7.9
178.13219	2.1
187.07629	3.4
195.02899	10.6
197.06000	4.4
215.07019	64.9
243.06497	47.0
271.05951	22.1
289.07019	50.0
391.55240	2.2
401.16031	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1237
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
50.83770	2.2
52.57661	2.1
59.94653	2.3
69.03420	4.3
70.06582	21.3
72.08141	6.2
75.07371	2.8
76.02232	3.2
83.79628	2.5
84.04514	3.8
84.08132	4.6
84.67646	2.5
85.02909	10.5
85.19765	2.4
86.09702	5.9
87.37206	3.0
93.51343	2.4
95.04942	3.6
97.02902	3.3
97.67180	2.4
99.83037	2.5
107.04950	54.2
110.07204	3.6
111.04474	3.2
111.20650	2.6
112.08710	2.8
116.07100	5.4
120.08129	3.6
121.02893	6.2
122.02784	2.6
123.04470	4.2
127.03919	4.1
135.04422	3.4
139.03899	6.0
149.02333	70.4
151.03885	6.1
153.01834	100.0
163.03870	5.7
167.03409	8.6
170.59694	3.4
171.02881	6.7
190.04935	3.0
195.02834	11.0
197.06055	4.8
213.09894	2.9
215.05026	2.2
215.07014	56.8
241.56963	2.8
243.06538	55.7
271.05939	28.2
283.03329	3.3
287.30759	3.2
289.07028	61.0
324.47061	3.1
392.93848	3.7
451.26535	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	451.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58050	1.3
54.67773	1.5
55.01863	3.4
59.03521	1.3
65.03928	1.5
67.05497	4.0
69.03400	2.1
70.06586	2.6
70.88160	1.3
72.08142	5.3
73.63267	1.3
74.02424	1.7
74.06069	1.9
79.05488	2.6
79.89342	1.3
81.03423	1.6
82.06575	1.4
84.04488	4.7
85.02893	3.3
87.05562	3.4
95.04961	4.7
96.04481	4.0
97.02919	2.1
98.06040	1.8
105.03399	1.7
107.04974	5.0
109.02889	2.6
115.18916	1.6
117.61234	1.4
118.59953	1.5
123.04412	10.4
126.05507	3.6
127.03927	3.1
128.07069	2.6
133.02846	5.3
133.06036	8.1
135.04396	6.7
138.05489	14.7
139.03893	49.8
144.06526	2.0
151.03899	100.0
152.04280	2.0
153.05470	2.9
163.03896	16.6
165.05435	3.7
168.06679	1.7
169.04977	5.7
174.44940	1.6
175.03949	2.6
177.05385	2.5
178.84946	1.7
179.03389	2.0
181.04939	6.4
181.53018	1.9
185.05928	2.2
189.05519	6.7
193.05011	3.9
195.06488	1.7
205.04935	1.9
233.08101	3.1
255.06528	3.2
292.71729	2.5
301.07047	3.6
319.08099	82.9
320.08472	3.2
423.22519	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	451.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	14.1
56.35220	5.0
57.03423	19.4
59.88224	4.3
61.02913	10.9
67.05508	11.3
69.03417	29.2
70.06577	26.4
70.61350	4.2
71.01325	8.2
72.08141	14.8
73.02908	100.0
79.05506	5.4
81.03416	7.9
81.07034	12.2
84.04504	10.0
84.08119	9.1
85.02898	84.3
85.85941	4.1
86.09692	16.7
86.62220	4.7
86.79681	5.6
92.67860	4.9
93.07021	11.5
95.05013	5.8
95.08636	4.9
97.02893	38.5
97.06534	6.3
99.04462	6.1
107.04939	8.1
107.08603	9.0
109.10159	7.1
115.03924	30.0
119.08592	7.4
120.08112	4.7
121.02820	8.5
123.03191	14.1
127.03923	23.2
129.10207	5.4
133.04994	22.4
137.05952	5.5
139.03954	7.6
140.03438	53.1
145.04955	30.3
149.06010	11.5
150.07597	11.1
151.36713	5.4
157.10152	6.2
163.06033	9.1
177.05516	15.9
183.19356	5.0
183.87729	5.4
235.13268	5.8
253.14580	9.6
271.09714	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	451.1571
Annotation	AN-7
Peak:m/z	Relative Intensity
167.08501	2.2
240.33353	2.3
319.07800	9.2
359.14651	3.0
403.79727	2.4
451.15619	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07050	6.2
60.67359	2.1
65.98185	1.9
67.05500	3.3
69.03432	3.1
69.07071	2.2
85.02921	2.7
91.05497	3.2
91.70963	2.3
93.07030	4.0
95.08585	7.4
107.08628	2.9
119.08548	2.6
127.03946	3.2
143.08682	2.8
145.10162	3.6
171.08096	2.6
171.11554	3.0
177.49425	2.4
203.05241	3.9
208.61818	2.6
271.13058	7.3
282.12131	5.0
318.14041	4.4
327.12222	3.3
328.12640	4.4
345.13217	4.3
346.13763	9.0
348.15204	3.0
364.14774	5.0
385.23593	3.6
409.14969	5.7
410.15366	16.6
427.16238	10.0
428.16284	36.3
451.12906	5.0
451.19308	100.0
452.19821	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	451.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
57.03426	7.0
57.48198	2.1
67.05490	6.8
69.03423	3.8
74.06082	3.7
83.22380	2.1
85.02879	12.5
86.09728	4.9
91.05475	5.1
93.07050	6.6
95.04973	3.3
95.08604	6.1
97.06499	2.7
107.04936	17.9
107.08603	5.8
109.10165	3.7
120.08102	14.0
127.31368	2.7
129.81999	2.3
137.05949	14.2
155.10739	2.5
161.09766	3.2
165.63553	2.6
172.11955	2.5
235.10789	3.3
285.11273	2.6
395.19077	2.8
451.19327	100.0
452.19617	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	451.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95002	4.4
53.93423	4.3
56.96531	8.5
59.12270	4.0
65.67931	5.4
71.05008	5.3
76.12263	4.8
85.02923	10.9
86.14604	4.9
97.02979	5.8
118.77737	6.4
137.05927	5.8
172.94455	5.5
201.97050	6.2
213.11018	6.4
218.74097	6.1
255.09982	7.6
315.12576	6.8
364.22977	6.8
372.63153	6.9
451.13660	8.6
451.19296	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.209
Annotation	Urauchimycin A
Peak:m/z	Relative Intensity
54.55458	3.2
54.76414	3.8
57.07059	5.4
66.58388	3.6
70.82736	3.7
83.04964	4.3
93.07029	5.5
101.19228	4.4
103.09563	4.4
136.08727	4.1
254.12720	5.8
260.13345	5.3
273.24005	4.9
298.38083	4.5
337.20740	4.5
410.15247	9.5
427.16019	5.8
428.16211	16.3
451.20831	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99241	4.6
55.01872	11.2
55.05499	9.8
56.62508	4.9
57.03431	48.7
57.03628	4.3
66.98238	5.2
67.05497	60.0
67.05807	7.7
69.03437	18.3
69.07072	15.4
70.06604	29.4
71.04994	43.5
72.08161	9.8
79.05492	29.8
81.03430	13.2
81.07022	33.6
83.04993	19.5
83.08630	7.3
84.04529	9.3
84.08156	9.6
85.02898	100.0
85.03362	7.8
85.06549	9.1
91.05468	34.3
93.07062	30.2
95.04959	15.4
95.08047	6.9
95.08631	26.3
97.02930	9.8
97.06565	28.2
99.04498	19.5
101.02336	6.6
105.07062	28.8
107.08598	55.3
109.06547	13.6
109.10151	38.4
111.08118	21.8
117.07043	11.7
119.08616	25.0
120.08152	10.3
121.06534	11.9
123.04494	19.5
124.04839	10.4
125.09658	16.6
127.03936	11.8
129.07027	10.9
131.08618	9.9
135.08092	25.9
137.09657	15.3
139.04012	8.5
143.08586	9.2
145.05042	10.0
145.06294	7.2
147.04466	8.9
147.08072	18.3
148.04729	8.3
149.06001	10.7
151.03943	28.1
151.11264	11.0
152.04303	14.5
153.05482	7.3
153.09160	10.0
155.10732	13.5
157.10158	16.5
159.08437	14.7
163.07617	17.0
165.05566	8.3
165.09114	9.9
169.12219	31.1
171.10287	8.7
185.08122	7.8
189.12671	7.5
217.12291	11.5
231.17584	6.8
235.13400	29.7
240.84436	6.6
253.14369	34.9
271.15479	20.6
289.16458	11.9
294.50531	8.2
303.08777	12.5
304.08932	44.3
325.38589	8.4
330.23260	8.1
330.40167	8.1
381.51392	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	451.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96308	2.6
56.96563	40.5
67.05494	4.4
71.95238	2.9
81.07037	2.8
87.51679	2.0
88.58739	2.0
95.08629	2.7
97.99169	5.5
104.94342	2.0
110.77508	2.5
116.98570	2.2
131.08472	2.5
132.99730	2.2
138.99442	2.2
146.99606	2.3
175.02734	2.9
317.17804	61.0
324.81348	3.0
335.18915	16.5
358.20499	100.0
391.21597	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	451.254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13846	5.5
55.01872	11.1
55.05512	19.8
57.07061	10.8
58.77268	6.1
63.09663	5.9
67.05497	41.5
69.03416	9.6
69.07070	31.4
71.04979	35.5
79.05501	21.8
81.03427	7.3
81.07057	58.3
83.04964	9.7
83.08607	13.5
85.02894	100.0
85.03352	7.3
87.04468	10.5
90.21761	6.4
91.05505	30.4
93.07064	27.2
95.04977	10.1
95.08630	25.4
97.06529	11.2
99.04489	23.1
101.06023	11.3
105.07059	24.4
107.08588	7.6
109.06525	7.3
109.10167	7.8
111.04488	8.1
111.11721	7.8
115.03982	23.3
115.85136	7.0
117.05524	16.4
119.08611	27.2
121.06516	8.4
121.10155	9.7
123.11735	32.0
127.03941	10.7
129.05522	9.4
133.10175	19.6
135.93098	7.3
161.13318	23.9
161.41408	8.6
175.14833	12.0
177.30435	8.2
179.14326	10.3
203.14290	18.8
221.15295	39.2
235.16945	15.2
239.16376	13.5
253.18117	16.4
290.43411	8.8
329.89801	8.0
410.15036	11.3
428.16449	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	451.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50340	11.8
55.12453	13.8
57.07068	84.8
67.05499	17.1
70.79890	16.4
81.07027	23.3
85.06528	36.2
89.06005	15.3
91.05479	49.3
93.07013	100.0
95.04984	27.5
95.08601	21.4
98.07585	15.3
105.07028	16.5
155.34373	17.5
213.12891	24.7
244.33171	18.2
272.15930	17.0
284.13345	18.0
290.48212	25.1
358.03809	18.4
402.37216	20.0
451.28561	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3052
Annotation	Lemnabourside
Peak:m/z	Relative Intensity
55.05500	8.1
56.62470	3.0
67.05490	22.9
69.07053	12.8
70.87772	4.3
72.82137	3.0
75.50253	3.6
81.07050	24.5
83.08613	15.4
86.74778	3.5
89.03905	7.7
91.05466	8.1
93.07040	7.2
95.08592	22.8
97.10172	8.0
99.70921	3.4
109.10172	19.3
115.34147	4.2
117.03395	13.5
117.43965	3.8
119.04939	4.9
123.11720	7.9
135.04515	3.8
145.02847	27.5
147.04417	13.5
148.04852	3.9
149.05995	9.1
163.03860	8.8
164.04190	3.8
170.66695	4.2
177.05466	100.0
177.07033	5.5
186.05472	18.9
190.92715	4.4
195.06546	20.0
473.98029	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78905	2.6
55.05506	33.1
56.41087	2.9
57.07061	4.7
59.04997	18.5
63.95792	2.3
65.03924	2.9
67.05489	20.6
69.03441	8.0
69.07056	21.4
71.32973	2.3
79.05466	16.1
79.23376	2.5
81.07045	48.3
83.04975	21.5
83.08612	42.2
91.05474	23.4
93.07030	34.6
93.07549	2.8
95.04989	13.3
95.08592	40.4
99.08134	3.9
105.07014	41.0
107.08580	32.3
107.09171	3.1
109.06518	20.4
109.10125	15.6
111.08086	15.5
117.07043	11.8
119.08571	43.3
121.06554	8.5
121.10152	18.4
123.11721	4.9
129.07074	7.9
131.08539	23.8
133.06465	3.7
133.10155	22.5
135.11743	10.3
143.08598	13.0
144.09415	5.3
144.41568	3.1
145.06540	9.2
145.10115	39.3
145.11078	3.7
147.08104	11.2
147.11739	9.2
149.09673	3.7
154.22954	2.9
155.08565	3.6
157.10202	13.5
158.10933	3.3
158.35295	3.8
159.08073	7.1
159.11687	21.0
161.09668	12.8
161.13309	4.4
163.11230	12.9
167.08531	3.2
169.10091	5.3
171.08119	3.5
171.11751	11.5
173.09612	6.8
173.13249	20.1
175.14813	6.5
179.08571	3.6
181.10211	5.0
183.11664	6.9
185.09521	3.4
185.13382	6.7
187.11263	7.2
187.14842	8.4
189.12782	4.1
189.16434	8.2
191.10660	16.2
197.09605	5.6
197.13298	6.4
199.11307	3.9
199.14792	4.4
201.16370	22.8
203.10669	5.0
205.12215	100.0
207.11743	6.1
209.13330	5.6
211.14981	4.5
213.12622	5.1
213.16470	3.8
217.12325	5.6
223.11403	3.6
231.13689	19.8
233.15468	8.1
245.15329	17.5
247.17160	6.3
257.15460	5.4
259.16873	17.3
267.17395	6.5
269.15482	4.4
271.16888	6.6
273.18405	6.1
283.20663	8.3
285.18466	5.0
297.18378	3.8
299.20020	7.2
309.18362	4.4
311.20032	7.3
337.21686	10.9
365.25143	4.3
375.26840	9.0
377.25021	8.6
393.27838	55.3
433.31009	68.5
451.32034	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	451.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.05507	15.4
55.16380	1.6
57.07063	7.2
57.23885	1.6
59.04993	3.7
63.98260	2.1
67.05498	15.4
69.07050	5.3
77.44115	2.0
79.05476	6.8
81.07033	16.0
83.04971	6.1
83.08595	11.6
85.06512	3.9
91.05476	28.4
93.07034	100.0
94.18285	2.2
95.04961	10.3
95.08608	9.4
101.30943	2.0
105.07024	18.6
105.93153	2.1
106.40570	1.9
107.08590	63.9
109.06501	10.7
109.10149	16.4
111.08064	2.3
113.31185	2.1
117.07014	4.9
119.08554	17.3
121.10168	5.0
131.08568	5.5
133.10156	5.4
135.08052	2.9
135.11691	59.5
137.09520	2.4
143.08600	5.1
145.10115	9.9
147.08051	2.3
147.11713	3.1
157.10167	4.0
159.08092	2.9
159.11714	12.1
161.09621	3.7
163.11221	4.0
172.70963	2.1
173.13243	4.1
175.14838	3.0
185.13226	2.3
187.11247	2.6
188.87050	2.4
191.10706	3.3
195.11621	2.7
197.09406	2.6
201.16348	9.9
205.12291	15.0
219.13951	4.3
233.15358	5.6
245.15364	4.4
259.16965	5.2
299.20148	9.6
312.97641	2.3
339.23260	2.9
384.53525	2.6
393.27762	10.8
394.81696	2.7
433.31268	15.3
451.32544	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	451.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91730	19.7
57.07062	100.0
91.05460	35.5
93.07028	48.4
103.37953	22.9
105.07010	48.7
107.08566	24.4
117.07011	31.7
120.75448	33.0
131.08673	29.1
169.10086	28.6
291.89841	29.5
312.37292	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95023	8.6
55.05498	73.0
56.96550	27.5
57.07071	77.5
60.30851	8.4
67.05489	39.9
67.12325	8.7
69.03412	16.9
69.07044	34.1
71.08616	22.8
72.76373	9.3
79.05475	19.6
81.07050	74.7
83.04965	100.0
83.08595	57.5
85.06532	19.1
85.10137	11.8
86.89735	11.3
89.06014	35.4
91.05467	35.2
93.07026	67.3
95.04952	17.7
95.08605	33.7
105.07028	69.1
105.59306	10.3
107.08606	58.9
109.06491	15.9
109.10164	51.4
111.08093	43.1
117.06999	13.6
119.08576	76.7
121.10166	24.9
131.08575	35.5
133.08585	23.2
133.10109	16.8
135.11751	20.5
143.08621	16.4
145.10132	46.2
147.11708	31.6
149.13417	12.6
151.11194	19.8
155.08551	10.3
157.10196	11.0
159.08125	16.8
159.09459	11.2
159.11739	36.1
161.09650	22.7
161.13422	11.4
163.11160	37.3
173.13327	20.0
175.14944	12.6
187.11177	15.0
189.12791	13.7
201.12878	14.0
201.16376	31.9
205.12242	16.6
211.20543	10.4
219.17433	40.5
227.14410	18.5
245.15396	30.1
250.99332	12.5
259.16956	40.7
273.18491	44.0
287.19781	12.0
288.93442	13.8
302.24814	11.6
317.17911	45.6
341.25034	15.5
358.20480	64.1
381.54370	14.1
428.15955	15.7
433.30829	46.7
451.31885	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40902	3.2
57.07055	7.9
58.06580	4.4
68.37457	3.1
69.27521	3.2
70.06582	11.6
79.67721	3.4
80.05009	6.7
81.07027	4.6
82.06561	4.0
86.04014	3.4
95.05013	4.2
105.07024	4.0
106.06544	7.1
107.08582	4.3
107.80833	3.7
108.08154	8.1
108.14758	3.6
119.08586	4.9
122.97353	3.5
124.94167	3.7
126.99386	3.4
135.04405	20.8
137.05939	4.9
145.10101	8.5
147.04381	9.5
159.04480	8.0
161.06032	6.5
163.11148	7.7
165.03259	4.3
203.08591	9.8
219.08011	6.3
219.17477	15.7
231.08003	6.3
243.08191	5.3
247.07780	5.0
259.07587	5.4
261.09128	8.2
275.07123	6.8
280.88824	5.0
289.08545	16.2
289.32697	5.5
291.10153	5.6
295.09854	6.8
304.07309	6.4
319.09592	12.7
329.93320	4.7
422.15674	10.0
434.16083	27.4
452.17194	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	22.0
57.03416	11.7
61.02920	5.5
62.59226	6.6
63.05744	5.2
67.05502	52.7
69.03416	14.4
69.07050	26.9
70.29982	6.4
71.04990	38.8
71.94904	6.5
79.05470	27.8
81.03422	9.5
81.07046	44.6
83.04961	6.7
83.08639	6.2
85.02898	77.4
87.04475	16.4
91.05475	14.2
93.07038	46.6
95.04966	11.7
95.08607	85.7
97.02869	12.9
97.06549	10.3
99.04449	32.8
105.07009	10.9
107.08603	13.4
109.02792	8.7
109.10140	17.7
111.04433	7.3
114.12411	7.6
115.03915	19.9
117.07008	16.6
121.06527	8.3
121.10117	45.5
122.90698	7.1
123.11692	10.8
123.65337	8.0
125.05976	9.4
127.03930	14.6
128.65950	6.7
131.08569	21.5
133.10121	12.2
135.08127	8.3
137.05965	8.9
139.11172	58.9
145.10147	7.5
151.71440	9.3
153.05481	8.2
153.12791	16.8
153.22462	7.6
157.10135	8.6
159.11699	33.5
173.13289	17.6
191.14403	11.0
219.13815	41.2
237.14767	39.0
255.15808	100.0
273.16882	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	452.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85808	7.4
55.05507	11.9
57.03451	18.5
59.44875	7.1
64.96135	6.5
67.05492	45.9
69.03436	14.9
69.07047	43.8
70.29255	7.0
71.04668	7.6
71.04986	50.1
72.08190	6.9
79.05487	43.1
81.07056	56.9
83.05014	11.0
85.02924	47.2
87.04433	7.8
91.05499	23.2
91.71734	11.5
93.07034	74.5
93.07449	7.1
95.04943	12.2
95.08593	100.0
97.06558	24.1
99.04430	53.0
99.08105	11.9
102.81967	8.5
105.07040	19.6
107.08597	17.7
109.10184	22.7
117.07024	16.8
119.08606	23.7
121.10149	57.9
122.54905	8.6
131.08615	23.2
135.11699	19.8
136.73718	8.1
137.09677	15.1
139.11165	70.3
145.10054	9.1
153.12820	15.3
157.12306	10.9
159.11682	41.0
159.23700	9.1
164.72035	9.3
173.13292	18.8
183.11847	11.2
183.59587	9.7
197.68683	10.4
201.12804	16.6
219.13805	59.1
237.14896	41.9
237.91162	8.9
249.25609	9.2
255.15921	57.8
273.16983	68.9
410.43030	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	452.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	9.9
55.05511	17.3
57.03439	22.5
65.03930	5.6
67.05497	88.6
67.05830	6.6
69.03441	8.8
69.07071	29.7
69.07390	4.7
71.04982	49.7
79.05492	35.0
81.03465	4.9
81.07045	58.7
83.04970	14.0
85.02895	99.8
87.04490	15.9
91.05489	20.9
93.07040	81.1
95.04971	10.5
95.08607	100.0
97.02935	5.9
97.06551	16.2
99.04445	55.8
99.08084	5.8
101.02391	8.3
103.03949	9.9
104.95654	4.9
105.07053	17.1
107.04939	6.5
107.08624	22.1
109.10140	32.7
111.04463	5.6
111.11756	8.0
115.03928	13.4
117.07076	19.8
119.08614	14.1
121.06541	9.9
121.10143	73.9
123.11732	13.6
127.03958	10.3
131.08603	23.6
135.08104	8.5
135.11711	19.0
137.09642	8.7
139.07611	10.5
139.11166	67.0
145.05000	6.2
145.10179	7.1
153.12814	16.1
157.10194	11.8
159.11668	29.5
173.13306	8.6
183.11740	10.9
185.08223	7.7
191.14337	7.9
201.12796	13.4
219.13745	49.2
231.25877	5.0
237.14862	26.8
255.15858	27.2
343.75525	7.3
407.87494	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	452.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58040	3.8
55.01849	7.6
55.05501	11.5
56.90534	3.6
57.03418	6.1
57.07053	4.6
59.15540	3.6
61.82706	3.8
63.71415	3.5
67.05495	60.3
67.99075	4.4
69.03398	6.7
69.07056	23.6
69.50990	3.9
71.04995	11.9
76.07285	3.8
78.85379	4.3
79.05482	28.9
81.07052	58.1
83.04962	33.2
85.02423	7.8
85.02898	100.0
85.06532	7.5
85.80249	4.4
86.84290	4.4
87.04460	6.6
91.05476	11.2
93.07050	35.5
95.04970	5.5
95.08598	25.7
97.02871	4.3
97.06504	6.9
99.04446	18.6
101.02376	7.8
103.03938	11.5
105.07014	11.0
106.68926	4.8
107.08602	17.9
109.10167	11.6
114.04652	5.2
115.03895	9.2
117.06975	7.9
119.08601	7.7
121.06513	7.1
121.10164	8.0
123.11700	14.5
127.03870	8.5
131.08580	6.9
135.11717	17.7
137.05991	16.3
139.11174	15.0
141.71797	4.2
145.10004	6.3
147.11627	5.2
150.09174	6.8
153.12724	55.5
159.11717	13.1
163.07558	6.8
172.11133	6.3
173.13324	8.2
177.12733	10.9
190.12253	13.0
191.14326	11.7
200.79391	4.9
201.12793	6.4
219.13808	58.2
237.14854	44.8
248.90533	4.9
254.33139	5.2
255.06137	5.3
255.15887	18.7
273.16977	8.4
398.26749	9.1
416.28012	15.7
452.19720	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	452.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09594	1.8
54.63298	2.0
55.05503	20.7
57.03415	7.3
57.07061	11.7
59.12965	2.1
59.36874	2.0
61.57824	2.1
62.06083	31.9
67.05482	14.2
69.07061	24.4
71.08633	4.0
71.98097	2.5
77.37850	2.4
79.05487	3.3
79.24576	2.2
80.05080	2.2
80.26261	2.7
81.07054	17.8
81.57034	2.4
83.08618	19.7
85.16242	2.4
91.05495	3.2
91.71692	2.2
91.80765	2.4
93.07035	6.8
95.08618	18.5
97.10184	8.7
98.98472	6.1
102.39163	2.2
104.25025	2.6
107.08595	6.0
109.10170	7.1
110.04250	2.6
121.10141	7.9
135.11673	3.6
151.62497	2.8
155.01079	7.5
158.80188	2.9
216.06201	2.9
280.26486	8.0
311.25778	100.0
336.29596	3.3
347.70316	3.0
428.34329	3.5
434.26791	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	452.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	0.9
53.03947	1.3
55.05258	1.5
55.05505	23.0
57.03208	1.2
57.03433	14.2
57.07066	8.4
62.06056	0.8
67.05495	17.4
69.06681	1.8
69.07059	35.0
71.08611	4.9
79.05486	5.3
81.07050	20.6
81.74317	0.9
83.08607	23.0
83.09066	1.7
85.06540	1.2
85.10169	1.8
91.05469	1.1
93.07043	8.4
93.07529	1.4
95.08598	16.7
97.06522	2.8
97.10155	10.8
107.08562	5.7
109.09510	0.9
109.10140	6.1
111.08081	1.2
111.11718	2.5
121.10141	6.8
123.11698	2.3
125.02291	1.0
125.09628	1.4
125.97067	1.2
135.11696	6.0
137.13289	1.4
149.13245	3.5
165.52672	0.9
169.58604	1.1
237.22296	1.9
280.26245	1.8
311.25772	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93657	3.0
56.03890	3.6
56.05012	3.9
56.55211	2.9
58.38441	3.6
70.06585	11.4
70.63702	3.1
72.08138	17.1
79.14632	3.6
84.04498	5.9
84.08126	8.8
85.02892	8.9
86.09685	9.4
90.48659	4.4
115.26907	3.8
123.04407	11.2
126.67986	4.7
130.68323	3.7
136.07631	4.3
139.03926	19.3
150.89198	4.6
185.09286	6.3
186.87628	4.2
201.03754	11.9
202.05997	6.5
291.08551	17.0
453.13712	100.0
453.19928	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	453.139
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01858	3.2
61.02905	3.0
67.40924	2.0
69.03424	11.0
81.03400	3.5
85.02890	22.3
91.71053	2.9
97.02878	8.7
105.30779	2.2
107.04948	3.2
107.84734	2.1
110.79428	2.1
111.04407	3.3
119.04976	3.7
123.04411	49.7
127.03905	4.4
135.04414	2.6
139.03888	100.0
141.35857	2.1
144.30556	2.8
145.05017	3.1
147.03427	2.7
147.04388	14.3
151.03973	3.7
153.05434	3.8
161.05911	4.1
163.03902	2.6
165.05479	10.7
172.26062	2.3
174.78632	2.6
273.07498	3.6
291.08508	10.3
314.40390	2.8
348.14172	2.7
453.12891	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	453.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50973	1.0
54.01000	0.9
57.03421	1.3
67.05490	4.0
69.03426	2.1
70.06574	2.0
71.04987	1.4
72.08157	1.2
74.02419	2.6
74.06065	1.3
84.04483	2.8
85.02908	5.9
86.09702	1.8
88.03975	7.2
93.06992	1.1
95.04926	1.4
97.02914	1.5
109.02806	1.2
110.10442	1.5
115.05455	1.2
115.96669	1.2
120.08089	1.6
130.06520	100.0
134.04494	14.2
135.49756	1.2
136.07498	1.4
144.08078	10.6
149.07454	3.2
159.08397	5.3
160.08803	1.5
172.07552	19.3
182.06050	1.4
273.08765	2.8
274.10797	1.2
279.31543	1.2
291.09747	16.1
291.13394	9.2
308.74304	1.4
333.10495	1.7
453.13553	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	453.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
53.23520	0.9
57.03405	1.2
61.02913	2.1
67.05484	1.0
69.03419	8.5
69.07057	1.0
71.04974	1.9
73.02915	1.8
79.05485	1.0
81.03408	2.9
81.07042	1.5
85.02464	1.4
85.02901	10.3
87.04453	1.2
91.05468	1.3
95.04933	1.3
95.87576	1.0
96.04472	1.4
97.02869	2.8
97.70944	1.2
100.11241	2.5
109.02863	1.7
122.06014	1.8
124.07590	2.9
138.09135	4.8
140.07054	4.2
152.07100	1.8
154.05016	5.4
154.08646	2.6
175.07661	1.2
178.04909	1.6
196.06012	1.6
200.10715	3.1
217.13356	2.3
218.11615	1.3
220.99200	1.2
227.08044	2.6
227.11833	1.8
228.10226	10.1
241.09717	1.6
242.10500	2.6
243.11316	5.0
244.12022	2.7
245.12791	7.1
246.11249	4.3
255.11310	3.1
261.12323	2.0
273.12292	8.4
274.10779	4.4
291.13345	100.0
451.86511	1.3
453.20474	8.2
472.86673	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	453.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11491	1.2
59.45607	1.3
60.05631	2.2
61.02916	2.3
67.05488	2.3
69.03424	10.7
69.07035	2.1
70.06584	24.0
71.04991	1.7
72.08128	2.0
73.02910	1.8
81.03408	2.5
84.08156	2.7
85.02898	14.3
86.09674	4.7
87.03714	1.4
87.04440	3.3
88.12984	1.6
91.70995	2.2
93.07032	2.0
97.02885	4.1
102.05543	1.6
104.05328	2.6
105.30441	1.6
105.83815	1.6
109.02895	2.4
112.08737	5.5
120.08098	3.2
121.39213	2.0
124.07600	4.2
127.03931	2.4
136.04005	2.6
136.07608	3.2
138.09143	5.1
140.07108	5.3
148.97238	1.7
153.10184	2.1
154.05002	5.7
154.08612	3.3
159.72325	1.6
173.12851	2.1
200.10785	2.9
203.11746	1.8
223.26225	1.8
226.81676	2.0
227.08179	2.8
227.11809	1.9
228.10165	10.4
241.09760	3.1
242.10468	5.4
243.11189	4.1
245.12860	7.2
246.11354	6.4
255.11253	4.3
273.12204	8.8
274.10709	4.7
291.13354	100.0
306.15805	2.0
313.48453	2.1
453.23099	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	453.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	9.0
55.05491	9.2
57.03418	12.3
57.07047	4.8
57.70162	2.7
65.03933	3.7
65.28478	3.0
67.05495	74.6
67.44815	2.8
69.03401	5.9
69.07059	26.9
71.04988	18.5
74.77103	3.8
75.11277	3.1
79.05486	32.3
81.07049	40.6
83.04967	15.0
83.08622	5.6
84.42127	3.1
85.02896	100.0
85.06487	4.1
86.00171	3.5
87.04467	19.5
88.64951	4.6
91.05453	15.6
93.07036	41.2
95.04945	6.7
95.08596	77.8
97.06519	13.3
99.04454	37.6
101.02380	6.6
103.03920	8.2
105.07034	13.1
107.04926	8.4
107.08578	16.1
109.10143	21.2
111.04436	4.7
113.09649	8.1
115.03925	13.6
115.05556	4.1
117.05471	5.4
117.07025	10.6
119.08597	10.3
121.06514	7.6
121.10134	34.5
123.11710	7.7
124.38116	4.0
127.03930	9.0
129.34563	4.1
131.08575	14.2
133.10156	5.3
135.08006	7.7
135.11705	13.8
137.09703	6.1
139.11177	58.3
145.10184	7.2
153.05530	9.5
153.12688	18.8
157.10207	9.0
159.11708	24.3
163.07463	7.1
173.13266	12.8
177.12706	4.2
183.11765	6.2
191.14330	9.5
201.12752	10.0
205.76122	4.4
209.93010	3.8
219.13728	47.8
237.14847	32.8
237.16945	5.4
255.15880	45.7
262.95413	4.0
282.45932	4.6
301.53864	4.6
337.48282	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	453.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62099	6.2
55.01866	11.1
55.05500	9.5
57.03418	16.2
60.43202	5.7
60.67509	5.8
61.25032	5.3
66.63193	5.6
67.05499	47.8
68.55344	4.9
69.03405	7.6
69.07053	20.9
70.06592	8.4
71.04986	30.6
79.05478	22.7
81.07050	50.8
83.04959	17.3
85.02893	59.9
87.04484	14.2
88.67327	6.4
89.38679	5.4
91.05486	22.7
93.07051	57.3
95.04902	6.3
95.08600	100.0
97.06521	14.0
99.04478	35.7
101.02393	8.2
103.03964	7.4
105.07033	12.5
107.04983	6.7
107.08583	21.1
109.10146	23.7
115.03929	7.5
116.07050	7.4
117.07065	7.9
119.08587	15.9
120.08086	12.2
121.06471	7.9
121.10147	66.1
123.11678	9.6
127.03976	6.9
131.08516	10.3
135.11679	21.3
136.07570	11.3
137.09631	9.8
139.11147	50.8
145.10072	9.0
149.02419	7.9
153.12767	19.2
155.08572	7.5
159.11708	37.4
191.14389	9.5
201.12828	13.0
219.13741	53.9
237.14847	30.9
255.15825	37.3
273.16919	11.6
453.22974	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	453.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90594	5.5
55.05508	10.0
57.03424	10.3
57.07072	6.7
64.06816	6.9
64.52103	5.5
65.20383	6.3
67.05495	67.8
69.07058	37.7
71.04982	29.2
72.95654	6.6
76.40495	6.1
78.63110	6.9
79.05479	31.4
81.07048	29.8
83.04974	15.5
85.02896	100.0
86.09715	10.9
87.04445	16.4
91.05453	14.3
93.07030	45.3
95.08598	75.6
97.06493	8.1
99.04450	35.5
105.07028	14.8
107.08548	10.3
107.76191	6.9
109.10155	31.1
113.09626	8.5
113.94404	7.5
115.03991	8.3
117.70933	6.5
119.08571	9.6
121.10136	30.5
125.09657	8.2
131.08562	18.6
135.11685	8.2
139.11206	43.1
153.12769	20.5
155.99965	7.8
159.11766	21.2
201.12782	11.1
217.15688	7.8
219.13783	43.0
237.14861	33.9
255.15823	44.7
273.17029	14.8
296.24866	8.6
440.12598	8.4
453.21124	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	453.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62099	6.2
55.01866	11.1
55.05500	9.5
57.03418	16.2
60.43202	5.7
60.67509	5.8
61.25032	5.3
66.63193	5.6
67.05499	47.8
68.55344	4.9
69.03405	7.6
69.07053	20.9
70.06592	8.4
71.04986	30.6
79.05478	22.7
81.07050	50.8
83.04959	17.3
85.02893	59.9
87.04484	14.2
88.67327	6.4
89.38679	5.4
91.05486	22.7
93.07051	57.3
95.04902	6.3
95.08600	100.0
97.06521	14.0
99.04478	35.7
101.02393	8.2
103.03964	7.4
105.07033	12.5
107.04983	6.7
107.08583	21.1
109.10146	23.7
115.03929	7.5
116.07050	7.4
117.07065	7.9
119.08587	15.9
120.08086	12.2
121.06471	7.9
121.10147	66.1
123.11678	9.6
127.03976	6.9
131.08516	10.3
135.11679	21.3
136.07570	11.3
137.09631	9.8
139.11147	50.8
145.10072	9.0
149.02419	7.9
153.12767	19.2
155.08572	7.5
159.11708	37.4
191.14389	9.5
201.12828	13.0
219.13741	53.9
237.14847	30.9
255.15825	37.3
273.16919	11.6
453.22974	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	453.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68561	5.4
55.01864	5.1
55.05502	27.7
57.07054	14.1
59.04975	17.0
62.00634	4.4
62.99276	5.1
64.48161	5.4
67.05495	39.4
69.03394	5.9
69.06741	5.0
69.07051	30.5
73.67716	5.8
78.96954	4.7
79.05489	15.4
81.07050	54.9
83.04964	20.2
83.08609	33.3
85.06506	5.0
85.24977	5.0
88.97736	5.3
91.05470	30.9
93.07024	58.2
93.41145	4.8
95.04939	14.9
95.08597	100.0
96.08894	5.4
97.10089	6.1
97.42228	5.7
105.07031	43.8
107.08579	35.0
109.06520	16.2
109.10156	17.2
111.08111	7.0
117.07018	15.6
119.08562	51.3
121.06495	7.6
121.10142	19.8
123.08086	5.8
123.11714	10.5
126.03134	5.4
129.07021	6.1
131.08575	28.2
133.10136	24.1
135.08060	8.0
135.11697	12.0
143.08571	9.9
145.10100	33.4
147.08000	10.8
147.11697	13.0
149.09599	11.7
156.09300	6.7
157.10114	14.6
159.08049	10.6
159.11650	21.4
161.09694	12.7
161.13275	10.4
163.11208	10.7
166.48761	7.0
169.10132	7.5
171.11678	22.0
173.13322	13.7
175.14732	8.6
183.11771	8.8
185.13280	8.6
187.11235	13.9
187.14821	16.9
189.12785	17.0
197.13313	9.0
197.51276	5.9
201.16454	25.6
205.12286	14.8
207.11917	5.8
207.13799	23.3
211.14780	12.7
213.12804	6.0
213.16287	8.4
229.15948	6.7
233.15344	11.4
255.17372	7.7
261.18591	13.9
263.17749	7.1
273.18423	21.3
301.21677	11.8
315.25397	5.5
323.23697	6.4
377.28302	15.6
379.26056	13.6
395.29507	46.5
417.31485	12.6
435.32642	87.4
453.33722	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	453.3363
Annotation	Stellettin J
Peak:m/z	Relative Intensity
52.37576	7.3
55.05516	18.7
57.07083	16.2
59.05003	18.3
67.05502	27.2
69.07081	33.2
69.44415	9.0
75.18688	7.0
75.64488	6.9
79.05519	13.4
81.07037	47.1
82.35783	7.7
83.04994	21.0
83.08636	31.7
91.05466	18.9
93.07040	61.3
95.04987	21.5
95.08595	100.0
99.68946	7.8
105.07029	47.8
107.08597	44.2
109.06506	14.7
109.10181	26.9
111.08067	12.3
114.34500	8.0
117.07005	11.9
119.08554	56.5
121.10218	13.0
131.08598	29.7
133.10176	26.3
135.11749	15.1
143.08574	11.3
145.10176	27.1
147.11729	16.6
157.10199	15.3
159.11752	21.6
166.76204	8.8
171.11748	22.8
173.13306	17.7
185.13379	11.9
187.15059	10.2
189.12828	11.8
193.10275	11.2
196.66386	9.4
201.16512	30.1
207.13869	25.8
213.16301	12.5
233.15323	11.2
238.32321	10.9
261.18600	15.6
273.18582	16.2
283.20529	16.6
301.21802	14.0
331.23111	10.4
377.28415	18.3
395.29474	39.2
417.31226	12.7
434.12997	11.6
435.32544	87.7
444.89389	10.2
453.33383	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	453.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	14.1
57.07055	0.6
59.56403	0.5
67.05504	1.0
69.09335	0.5
70.06580	1.6
70.16087	0.5
74.38263	0.5
76.02508	0.5
81.07030	1.1
82.06573	5.6
83.04955	1.4
83.08611	17.7
84.08138	1.2
85.06544	0.6
91.71646	1.0
96.08112	1.0
98.09690	3.1
100.07603	5.7
100.11247	100.0
102.06598	0.5
110.06029	2.5
111.04419	7.7
112.07572	2.8
112.11205	1.1
117.13863	1.5
119.35905	0.5
126.09117	1.9
127.08650	2.4
128.07076	6.3
129.05455	0.6
131.12074	0.5
132.03896	0.5
139.08659	4.6
140.07069	2.6
147.11632	0.6
182.15390	28.5
192.13843	0.8
209.16479	27.6
210.14876	25.1
210.16881	1.3
226.19118	7.5
227.17525	1.1
228.15891	1.7
300.67786	0.5
308.26941	1.1
322.74841	0.6
326.27939	5.7
336.22641	4.0
341.56015	0.6
343.30923	0.5
356.32220	1.4
435.33221	19.0
453.34311	79.1
454.34814	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	453.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.1
56.05018	12.9
67.05492	10.8
69.07043	6.4
69.24829	3.6
81.07038	12.5
83.08622	7.1
95.08617	16.8
103.05419	3.5
109.10155	5.0
118.64667	4.1
129.09160	5.0
165.52254	4.6
174.43584	4.2
179.94173	4.0
204.22981	4.3
209.20285	5.7
210.18515	100.0
226.18071	4.8
227.21127	30.6
257.09622	5.3
417.34753	4.7
435.35889	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	454.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.1
70.06580	21.6
79.04352	2.5
96.16853	2.8
100.11236	7.1
103.05461	7.3
106.06563	4.0
113.70751	2.8
114.05563	3.0
116.07111	8.9
131.04910	25.5
135.04410	91.6
137.05962	13.7
146.03583	5.7
147.04390	7.3
161.05960	27.2
163.07515	6.4
175.07486	5.5
180.16835	2.8
216.10187	3.9
236.52779	3.5
239.43903	3.1
276.12277	100.0
295.65298	3.3
454.18396	52.5
455.22705	4.7
455.77106	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	454.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
53.81441	0.8
55.01860	1.5
55.05492	4.3
57.03429	9.8
57.07060	1.5
58.31097	0.8
61.02919	1.3
67.05490	10.4
69.03414	4.5
69.07060	20.5
70.06612	0.8
71.04980	82.3
73.02908	2.8
75.04472	5.6
79.05483	10.2
81.03410	2.7
81.07043	19.6
83.04974	11.7
83.06094	1.3
83.08603	3.0
85.02895	100.0
85.06526	1.8
86.06035	2.8
87.04455	2.7
91.05469	12.9
93.07038	12.3
95.04962	3.9
95.08592	12.3
97.02872	3.3
97.10163	3.2
98.06020	1.9
99.04453	2.1
100.00948	1.1
101.06037	1.4
105.07023	17.8
107.04927	1.8
107.08585	15.3
109.02869	1.2
109.06512	2.4
109.10144	5.0
111.04412	5.9
111.11716	4.9
115.05441	1.9
117.07013	9.7
119.04945	1.9
119.08564	10.9
121.06492	2.1
121.10162	3.0
123.08062	1.2
123.11694	1.0
123.66577	0.9
125.06026	1.0
127.03927	5.0
128.06216	4.5
129.05478	29.8
129.06953	12.2
129.17305	0.9
129.48055	1.0
130.07755	0.9
131.08557	12.7
133.06494	2.1
133.10114	5.2
135.04356	1.3
137.05969	3.7
141.06992	3.1
142.07750	4.3
143.08549	14.9
145.04939	3.9
145.06433	2.8
145.10123	11.9
147.04395	3.8
147.06516	13.0
147.07820	1.7
147.11702	2.6
149.05966	3.0
149.76210	1.1
153.06985	1.8
154.07802	1.4
155.08545	8.6
156.09363	2.4
157.10118	12.9
159.08017	3.4
159.11678	11.7
161.05943	1.5
161.09628	1.7
161.13263	1.8
163.06023	1.9
164.09174	4.4
165.07042	1.7
166.07809	1.1
167.08568	4.0
168.09378	2.4
169.06419	1.3
169.10135	7.1
170.10936	1.3
171.08026	1.5
171.11679	9.6
173.09531	2.0
173.13225	6.8
175.07497	1.5
175.11176	1.5
179.08511	1.6
180.09309	1.9
181.10106	7.1
182.10968	1.8
183.11620	6.9
184.40085	1.0
185.09586	7.7
185.13272	3.9
187.07516	4.1
187.11197	1.7
188.09218	2.6
189.09198	1.7
193.10158	2.5
195.11670	9.8
197.09613	3.1
197.13307	5.5
199.11201	3.6
201.09105	3.8
203.05199	1.2
203.10612	7.8
207.11676	1.3
209.09666	1.1
209.13185	7.1
211.11163	2.6
211.14803	4.0
213.12704	1.3
215.10587	2.2
217.12117	1.2
219.11731	1.4
220.12437	1.2
221.13197	1.7
223.11337	2.0
223.14726	5.1
225.16339	1.4
227.10707	2.8
229.12129	1.7
235.14903	1.2
237.12700	2.7
237.16473	1.8
239.14365	1.6
241.12207	5.3
241.19525	1.9
251.17909	14.6
253.19470	4.4
255.08658	1.5
255.13942	1.4
261.16495	2.2
269.18936	5.8
279.17392	21.7
297.18454	38.3
315.19412	9.7
331.15411	2.4
349.16568	1.3
395.16794	2.2
401.19553	1.4
413.17957	3.4
454.21130	10.9
455.22629	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	454.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	5.5
57.03430	10.1
57.16946	1.6
67.05501	2.5
69.03425	4.9
69.07058	16.8
71.04986	82.9
73.02911	1.7
75.04466	5.3
76.64436	1.6
78.44302	1.5
79.05476	1.8
81.03373	2.0
81.07047	2.9
82.49697	1.8
83.04980	7.5
85.02898	100.0
86.21125	1.7
87.04453	3.6
91.05476	2.0
95.08606	2.8
97.02891	5.0
98.06089	2.3
99.04437	2.3
104.44478	2.1
111.04440	7.0
111.11722	5.1
121.10148	2.3
127.03906	5.7
129.05475	36.9
137.13200	1.7
145.05002	3.4
147.04439	10.2
147.06499	15.7
164.09233	7.1
188.09155	2.9
201.14922	3.1
213.12479	2.2
216.41956	2.3
265.08600	1.9
285.68643	2.3
297.18680	2.0
348.99557	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	454.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.9
57.03419	12.4
67.05495	6.4
69.03399	4.9
69.07064	20.5
71.04613	5.5
71.04984	93.1
74.19769	2.7
75.04461	4.6
79.05482	9.1
81.07027	16.8
83.04978	11.4
85.02895	100.0
86.06033	2.6
87.02189	2.8
87.04463	4.3
89.94033	2.6
91.05483	9.1
93.07026	11.0
93.21668	2.9
95.04945	4.2
95.08592	10.2
97.02894	6.9
105.07049	15.4
107.08585	10.3
109.10162	4.9
111.04434	4.9
117.07034	9.2
119.08573	11.8
121.10133	3.3
128.06259	4.2
129.05479	29.5
129.06995	7.4
131.08562	11.6
133.10161	3.9
137.06055	3.1
141.07002	5.7
142.07764	5.9
143.08566	15.7
145.10081	9.9
147.06485	14.5
149.05946	3.5
155.08569	10.6
157.10144	11.2
159.11694	13.0
164.09134	5.3
169.10121	9.9
171.11681	7.0
172.80077	3.0
173.13258	7.4
181.10060	6.0
183.11664	6.4
185.09598	7.3
185.13388	4.0
195.11739	10.0
203.10646	6.8
209.13350	4.7
211.11298	3.4
215.10654	5.7
241.12190	4.8
251.17937	10.6
269.19135	5.8
275.39017	3.1
279.17386	21.2
294.93436	3.5
297.18430	33.9
315.19440	6.3
344.79282	3.4
454.21356	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	454.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22364	5.0
55.05483	6.2
57.03437	5.7
57.07068	45.7
62.06069	31.3
67.05501	11.0
69.07047	7.3
71.08624	31.8
73.24992	5.8
75.32244	6.4
81.07018	8.4
85.10165	21.0
89.06007	20.6
95.08607	11.8
98.98449	9.3
104.20846	7.8
118.71638	6.0
133.08618	10.4
136.14140	5.9
153.62617	7.8
158.22479	6.5
232.37119	6.6
267.59409	7.7
276.59143	6.8
282.28033	10.8
313.27347	100.0
393.24344	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	454.2924
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
51.24034	3.4
51.88165	3.5
57.01357	3.5
57.03414	6.8
57.07070	30.6
59.00175	3.5
61.67733	4.2
62.06082	36.6
69.07082	5.0
71.08627	23.0
81.07025	5.3
83.08634	7.5
85.10176	12.7
86.43525	4.2
93.08510	4.4
95.08614	6.6
98.98472	6.2
173.93010	4.9
178.52097	5.4
185.77832	4.7
189.88396	4.9
191.80699	5.3
194.05302	4.5
250.31917	5.0
282.27908	11.1
313.27332	100.0
315.56781	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	454.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04058	4.7
51.71716	4.5
55.05499	8.7
57.03419	17.6
57.07069	48.8
63.96381	5.0
67.05481	15.2
69.07037	5.4
71.08625	30.8
72.08149	48.8
81.07046	15.2
83.08604	9.4
85.10169	13.2
87.27736	6.2
94.51634	5.5
95.08603	17.8
118.62376	6.8
152.50746	5.3
164.66298	6.2
214.29240	6.3
313.27356	100.0
445.26392	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42720	2.7
53.74443	3.2
55.16898	3.3
57.07067	45.6
59.50370	3.0
69.17515	3.0
70.81776	4.0
71.08619	27.1
73.06544	5.9
83.61272	4.1
85.10175	26.0
89.06018	100.0
91.71647	4.7
97.10133	4.0
99.11739	4.6
130.08643	11.8
133.08592	47.8
155.17934	4.1
177.11169	19.3
183.34816	3.6
221.13986	4.4
243.23000	4.9
283.17563	11.6
385.66989	4.3
432.11975	5.6
437.34366	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	454.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52785	2.4
57.07061	29.5
57.57512	2.4
71.08624	19.4
85.10172	11.8
87.04454	3.0
89.06018	100.0
97.04862	2.8
128.95230	3.0
130.08603	20.8
133.08582	59.5
177.11162	24.5
189.19769	3.2
195.12366	3.6
221.13792	4.3
239.15021	5.6
283.17468	42.4
353.51221	3.1
437.34598	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21578	32.7
56.84939	28.4
62.69608	27.3
73.83871	31.1
101.12391	32.4
109.02292	41.3
118.60694	37.4
124.68562	41.0
175.34064	43.5
187.79012	40.5
189.41968	36.1
259.96964	39.8
436.10904	55.8
454.11496	100.0
455.09604	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48726	3.1
65.88753	3.3
73.55801	3.7
96.67606	3.5
119.43368	3.2
121.26706	3.4
131.44348	3.4
143.01935	6.2
155.01932	4.0
173.02982	5.3
184.04568	8.6
185.02977	4.6
196.04553	6.8
209.61598	4.2
235.97687	4.2
245.05087	8.1
414.23511	4.3
455.11633	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
68.33110	4.8
110.29404	6.4
110.93487	5.5
128.33867	5.9
134.40570	5.7
134.85397	7.5
143.01909	7.8
161.02971	7.7
162.63464	5.8
184.04648	9.8
196.04536	11.9
203.04115	8.2
208.04694	8.1
223.30420	6.0
244.32463	5.3
261.80569	6.5
263.06137	12.1
316.08621	11.4
455.11703	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	23.6
60.16970	6.7
65.24051	5.7
72.18378	5.8
81.71765	6.9
82.06580	8.1
84.08129	100.0
91.71083	9.8
107.04917	13.2
138.95975	6.0
180.83813	7.6
254.28790	7.1
258.61157	7.6
258.79236	8.8
364.17487	13.0
409.19794	28.7
442.46533	8.1
455.14877	90.1
455.20587	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	455.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07051	13.1
74.91689	9.0
82.06565	12.1
84.08137	93.0
105.07044	19.5
107.04949	25.2
117.00016	8.5
119.04911	19.4
127.51517	12.1
147.04384	47.2
151.39729	9.0
233.12711	22.1
370.17413	21.0
455.13446	100.0
455.20166	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	455.1523
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
53.19887	1.8
66.66287	1.8
67.23213	1.8
72.09126	2.0
85.66233	1.9
89.69311	1.8
91.71703	3.8
99.12540	1.7
107.04958	5.3
117.60259	1.8
120.63209	2.3
130.01952	2.2
151.07425	2.0
165.92033	2.4
181.63255	2.7
455.15176	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
56.22443	0.5
57.03403	2.1
65.03918	1.4
69.03413	1.6
71.04984	6.2
81.03410	3.4
83.04964	2.7
85.02897	10.7
91.05474	10.1
95.04921	0.8
97.02888	2.1
99.04469	1.4
107.04279	0.8
107.04954	9.7
109.02860	1.0
111.04431	1.3
119.04098	1.4
119.04944	28.1
123.04467	0.8
127.03932	3.0
129.05438	1.5
139.81084	0.6
145.06458	1.1
147.04407	100.0
148.04684	0.8
149.06007	1.7
165.05450	2.5
187.07492	0.9
193.69771	0.6
197.06017	0.8
216.28836	0.6
216.91469	0.7
257.08316	0.8
291.08734	1.4
293.10120	1.2
455.22388	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	455.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01847	0.5
57.03421	1.3
65.03915	1.4
67.31643	0.4
69.03410	2.1
69.37135	0.5
71.04616	0.6
71.04983	7.4
75.04464	0.6
81.03424	3.4
82.00819	0.5
83.04967	2.6
85.02896	10.1
91.05470	10.9
93.79433	0.5
95.04939	1.6
97.02873	1.2
99.04456	1.4
107.04263	0.8
107.04951	11.9
109.02878	1.0
111.04415	0.8
112.39141	0.6
117.44572	0.5
119.04935	25.8
120.08591	0.6
121.02843	0.5
125.40445	0.5
127.03903	2.8
129.05469	1.4
145.06442	1.5
147.04402	100.0
148.04768	0.9
149.05959	2.2
161.06020	0.8
165.05426	2.1
169.05003	0.7
169.06448	0.8
173.05965	0.7
187.07497	0.8
221.77078	0.5
227.65453	0.7
257.08160	2.1
291.08585	1.9
293.10089	1.0
309.09613	1.0
311.72003	0.5
331.02457	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89147	2.2
55.01844	3.6
57.03424	3.4
61.02182	2.4
65.03922	3.2
66.52749	2.2
69.03418	31.3
70.23449	2.0
71.04984	7.2
81.03409	10.4
85.02905	18.7
91.05482	15.1
97.02895	4.5
103.05455	2.8
105.07035	9.5
107.04937	9.0
109.02856	3.7
110.75438	2.4
115.05449	10.5
119.04944	28.9
127.03818	3.2
129.06990	3.5
133.06471	13.6
143.04929	18.9
145.06493	4.5
147.04401	100.0
157.06468	3.6
159.04396	9.2
161.05965	20.2
169.06512	3.0
171.04391	44.2
173.05981	12.7
175.03885	3.5
177.05519	9.2
183.08093	4.3
185.05966	7.5
187.03860	4.1
187.07628	3.9
189.05453	53.7
197.05998	6.5
201.05573	4.5
211.07394	12.9
213.05400	15.2
221.30180	2.4
224.80678	3.0
229.08559	4.2
239.07051	18.1
257.08121	7.9
275.09155	16.8
293.10165	36.1
306.66031	2.9
311.21869	3.0
350.25644	2.5
351.10492	3.2
437.14563	5.0
455.15475	10.2
465.19083	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	455.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42830	1.3
53.03946	2.1
55.01867	3.2
57.03440	3.5
61.02931	3.7
69.03422	32.2
69.03770	2.6
71.05006	5.3
81.03420	10.5
83.05005	2.9
85.02891	17.5
91.05482	14.3
95.05003	2.2
97.02921	3.6
103.05491	4.4
105.07056	7.6
107.04975	6.4
109.02905	4.7
115.05448	15.2
117.07076	2.6
119.04944	29.7
119.05779	2.4
127.03948	4.2
129.07022	2.2
131.04962	6.2
133.06479	12.5
141.07126	2.3
143.04903	21.0
145.04988	2.3
145.06520	5.8
147.04404	100.0
157.06561	6.5
159.04425	10.3
161.05957	21.6
165.05598	2.4
165.07069	5.4
167.12822	1.8
168.05782	3.0
169.06483	3.7
171.04398	43.5
173.05984	12.6
175.03981	5.0
177.05499	10.5
180.71558	1.7
183.04472	3.3
183.08044	4.1
185.05940	9.2
187.03992	4.3
187.07645	3.4
189.05463	56.0
189.07088	3.4
197.06087	5.9
199.03854	2.5
201.05585	5.8
207.06662	3.1
211.07545	12.8
213.05498	14.5
215.07117	2.6
221.06007	3.7
231.06541	2.2
239.07013	18.9
257.08185	8.9
275.09122	13.6
292.85568	2.4
293.10175	35.1
333.09924	2.1
364.74966	2.3
437.14584	4.3
455.15665	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	455.166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	6.4
57.07068	45.9
70.06577	18.9
82.02330	3.1
84.04493	100.0
84.08135	4.6
85.02920	12.5
85.31561	2.8
86.09697	6.1
91.05478	4.2
93.07040	3.4
107.77355	4.1
110.07167	4.8
111.08115	4.6
111.49301	3.8
130.04980	21.7
134.06070	4.9
136.03979	7.1
152.03481	5.1
152.07080	3.8
160.61914	3.5
162.05597	5.3
190.05083	13.5
208.06071	6.0
236.05556	5.8
296.67001	3.7
346.13028	5.4
364.13995	5.0
374.12454	9.2
392.13333	18.8
410.14407	20.6
437.15625	13.3
455.22083	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	455.189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	4.2
57.07059	4.8
57.27741	2.3
59.49049	2.3
62.79694	2.2
62.88304	2.4
65.03942	2.6
67.05479	2.5
70.06574	14.9
77.25323	2.7
84.04496	6.4
84.08088	3.2
86.09696	5.5
90.05530	3.5
110.07160	2.9
111.04471	3.1
116.02570	2.9
118.93236	2.7
123.04436	21.6
139.03899	100.0
140.04320	3.9
147.04449	6.2
165.05426	4.7
172.09743	3.0
197.01285	5.2
219.56865	3.1
250.04028	3.3
274.26285	3.4
370.06091	8.7
455.18460	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	455.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76843	0.7
56.05020	4.8
57.06801	1.1
57.07063	15.2
66.78324	0.7
67.05473	1.5
76.94256	0.7
77.89101	0.8
82.06565	8.2
84.08131	100.0
119.04962	0.9
133.08878	1.1
138.87071	0.8
151.03992	1.2
164.01010	0.8
192.10207	2.8
194.11769	1.7
218.11752	1.1
220.09630	1.0
238.10727	1.9
258.60843	0.8
280.11646	1.1
290.10141	1.0
291.09735	1.0
307.12610	1.1
308.11157	0.9
364.17484	4.9
383.86758	1.0
391.18600	9.2
395.89838	0.9
398.71729	0.9
409.19632	26.7
455.20166	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.9
55.86429	1.0
56.05023	5.5
57.06804	1.0
57.07064	14.9
63.77770	0.8
67.05495	1.4
69.60177	0.9
80.04997	1.5
82.06568	10.7
84.04473	1.8
84.08134	100.0
120.08083	1.8
133.08864	4.1
139.03894	2.5
151.03935	1.1
155.67314	1.1
163.03891	2.1
191.09447	1.1
192.10231	1.6
206.15646	1.0
220.35452	1.1
224.11588	1.3
248.16611	1.1
264.08768	1.2
270.12646	0.9
283.52429	1.1
286.44104	1.1
287.09183	2.3
291.09537	1.1
364.13724	1.8
364.17670	12.0
391.18561	15.2
409.19662	23.6
437.18387	1.1
455.20166	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2194
Annotation	(-)-10-Methoxyvincamedine N-oxide
Peak:m/z	Relative Intensity
56.66039	10.5
57.07063	17.4
57.16386	11.0
71.08649	14.1
75.16074	12.7
77.05778	14.5
82.02289	11.9
89.06035	23.0
100.26144	15.2
114.86671	13.2
115.26059	18.6
159.53999	15.2
183.74673	13.4
236.52136	13.4
251.28987	14.9
330.25201	14.9
455.21848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2191
Annotation	(-)-10-Methoxyvincamedine N-oxide
Peak:m/z	Relative Intensity
57.21762	16.1
143.50986	16.6
159.43610	15.7
213.42897	16.8
281.07901	21.1
455.22025	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	455.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05466	71.8
69.07066	78.2
69.65401	40.2
81.07021	69.8
85.54715	43.3
87.02799	48.5
104.51467	50.6
105.02918	45.0
148.75508	52.1
197.78386	52.2
310.47449	51.5
455.22061	100.0
455.34442	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
67.60935	1.9
68.18449	2.0
69.03413	2.5
69.07047	2.6
70.06576	9.4
71.04984	6.7
72.08134	2.4
78.24231	1.9
78.24759	1.9
79.01598	2.4
81.07043	6.1
82.07409	2.4
84.85491	2.2
85.02905	5.0
86.09669	4.6
91.05474	2.8
93.07107	4.0
98.04116	2.1
135.11696	2.9
136.12057	3.3
147.04401	7.5
151.95818	2.4
153.12704	8.2
154.13080	10.5
159.39601	2.3
161.06589	2.3
196.77103	2.4
297.88495	2.7
455.22998	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
62.81681	2.6
71.38246	3.1
107.04968	5.7
107.08544	3.0
121.93744	3.3
124.82230	3.4
126.62568	3.2
139.03906	15.2
140.06635	4.0
151.03989	3.8
151.07446	3.4
163.03963	5.6
217.49217	3.2
293.17035	3.9
350.13278	3.9
455.22641	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
62.81681	2.6
71.38246	3.1
107.04968	5.7
107.08544	3.0
121.93744	3.3
124.82230	3.4
126.62568	3.2
139.03906	15.2
140.06635	4.0
151.03989	3.8
151.07446	3.4
163.03963	5.6
217.49217	3.2
293.17035	3.9
350.13278	3.9
455.22641	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2402
Annotation	Trp Ile His
Peak:m/z	Relative Intensity
53.09605	3.5
54.96162	3.4
56.01564	4.0
67.05509	8.6
67.51346	3.4
77.24693	3.9
81.07073	6.6
82.26735	3.8
89.45901	4.2
95.08627	5.4
108.55544	4.0
111.17643	4.4
120.96705	7.0
131.05048	4.6
219.27638	4.5
264.50858	4.8
291.19345	10.6
335.25848	7.4
455.24048	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	23.2
57.52294	14.4
60.57996	15.9
69.07057	19.4
69.55999	18.2
89.49342	17.1
91.38722	18.2
91.70956	48.7
101.79269	17.9
108.73984	19.5
113.44476	17.3
129.67220	19.2
190.21199	22.7
269.04410	52.4
352.99518	20.3
364.17691	26.9
416.31631	22.7
437.22983	100.0
455.22879	66.0
481.35999	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	455.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	29.8
57.07062	13.2
65.33651	11.6
67.05494	13.0
69.07063	12.8
77.66753	12.9
80.11553	11.2
81.07056	17.4
83.08619	22.9
85.72214	14.5
86.90429	12.0
91.71575	25.7
95.08594	17.4
97.10152	16.4
100.54190	11.4
162.55362	12.8
165.24614	13.0
225.05516	16.4
241.02577	14.9
241.05017	38.6
249.05328	17.9
251.03389	26.2
251.07172	21.2
265.08560	21.6
267.06509	20.2
269.04419	57.8
273.69867	15.2
274.32687	15.9
275.07111	18.0
279.06445	34.4
283.59900	15.1
315.72510	13.9
419.22314	28.7
437.23270	100.0
455.22928	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59956	9.9
54.73074	11.1
55.05501	25.1
57.07068	11.5
57.66064	11.4
59.44166	10.4
61.78091	10.9
66.27036	11.3
66.48172	12.8
69.07068	20.7
69.09026	12.4
81.33029	13.1
83.08627	14.9
95.08585	24.1
126.53974	15.2
154.27934	15.3
176.91156	13.5
225.05463	25.1
241.05051	35.7
246.48282	13.6
249.05571	26.5
251.03287	17.3
251.07161	15.5
265.08548	27.5
269.04568	36.6
279.06500	42.5
291.10217	17.1
304.00528	15.2
336.53500	15.6
419.22141	17.1
437.23303	100.0
455.22693	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	455.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12341	3.3
67.05469	4.1
69.76066	3.3
81.07043	4.4
83.08595	4.1
95.08610	5.0
118.43967	3.6
123.45641	4.2
131.00204	4.6
189.64333	4.2
242.45074	4.7
263.65399	4.2
291.19330	7.4
369.26251	6.9
411.27109	35.5
455.24634	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20310	3.2
61.85704	3.2
66.50051	3.5
67.76294	3.0
75.66655	3.4
91.71649	6.9
99.77108	3.9
179.87315	3.7
293.27512	3.9
367.02759	4.4
455.34906	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	37.4
55.95414	10.2
57.07067	26.1
64.08763	10.6
67.05492	34.4
69.07043	13.4
81.07056	55.9
83.04974	12.2
83.08599	48.5
93.07047	54.0
95.08584	44.3
105.07018	53.6
107.08591	38.8
109.10133	29.5
111.08056	27.6
119.08590	16.3
121.01964	12.4
121.06522	15.1
121.10149	12.3
123.11697	20.0
125.37775	12.1
135.11723	18.5
145.10138	16.4
147.11694	33.2
149.13283	18.7
157.10158	16.0
161.13251	28.5
203.14297	16.1
219.13806	50.0
242.60245	12.5
245.15329	78.7
259.16907	26.1
261.18512	16.2
352.99405	14.5
437.34189	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.05490	4.2
56.05017	1.3
60.04519	88.9
67.05526	1.3
69.03417	2.2
69.07068	3.0
70.06583	13.6
71.05013	1.8
72.08147	100.0
79.05479	8.1
84.04488	6.9
84.08153	1.7
85.02887	3.9
86.09705	15.7
99.60260	1.3
101.07157	1.9
103.05458	4.2
106.06551	32.2
107.04945	72.6
110.07210	2.0
116.07082	15.6
117.10249	19.2
127.03884	1.9
127.11237	4.2
129.06618	2.3
131.04918	30.3
148.07555	23.3
149.05983	9.2
152.07101	4.4
171.11624	1.7
190.08633	20.6
194.08131	6.0
208.09669	47.9
211.10710	7.6
228.13417	47.8
228.15700	2.1
229.15472	8.7
245.45480	1.5
265.47385	1.7
302.63150	1.9
341.21722	9.8
371.12988	1.6
455.22757	2.4
456.22949	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	456.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51573	1.2
51.29464	1.2
56.96561	23.9
64.04634	1.4
69.07056	4.0
73.12335	1.6
84.96024	10.4
91.05487	2.5
92.59046	1.6
97.96819	1.8
97.99194	1.8
98.97576	58.8
110.97606	6.6
112.99142	2.2
116.98609	22.0
117.07008	5.8
117.07845	1.7
125.98611	2.6
128.98581	10.9
131.00154	3.7
134.99651	10.1
140.00180	40.6
140.98492	3.0
143.00150	3.2
146.99617	8.7
147.04395	2.2
152.00189	11.2
152.98581	3.4
153.89592	1.6
154.01755	4.1
158.01247	16.8
158.99664	12.3
161.01207	3.7
162.99141	2.2
166.01837	2.5
170.01213	7.4
170.99690	5.8
177.00705	5.9
179.04871	1.9
181.02873	19.2
182.01205	8.2
184.02893	4.6
186.00783	3.2
193.02870	8.0
194.01297	5.5
195.04369	2.5
200.02299	17.2
201.00670	2.2
201.93906	1.9
207.04536	2.0
212.02394	4.0
214.03819	2.4
219.01680	9.5
223.03970	3.4
237.02881	11.4
242.03351	18.4
260.04379	17.3
277.93292	2.2
280.52026	1.7
283.06036	14.2
310.13266	2.8
316.51028	1.9
329.12619	11.7
347.13794	23.3
370.15344	100.0
371.14474	5.2
388.16397	7.0
389.14618	10.5
412.16373	33.2
415.12704	2.5
441.53745	2.0
456.15305	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	456.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96512	2.7
54.32814	2.3
55.01856	8.4
56.00557	2.9
57.03171	3.8
57.03433	58.2
57.07061	17.8
57.83917	3.0
59.04993	3.6
61.02910	12.2
62.43373	2.9
65.35760	2.9
67.05477	6.2
69.03419	31.1
70.06574	7.5
71.01334	6.9
71.04993	7.6
73.02523	6.9
73.02908	89.8
74.51742	3.0
81.03429	6.5
85.02421	7.1
85.02888	69.2
85.06530	33.1
87.04465	5.8
91.03934	5.6
92.06477	3.4
97.02888	59.4
99.04455	3.9
106.21101	3.6
109.02847	7.8
109.10172	10.3
113.22713	3.4
114.35892	3.4
115.03904	29.3
127.03909	19.0
127.11209	22.5
133.04962	28.5
145.04958	21.9
145.12225	100.0
145.13383	5.5
163.06024	8.2
241.07117	4.0
241.14313	22.5
256.46289	4.3
259.08276	5.4
410.08536	4.3
457.20502	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	456.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41512	14.9
57.44558	12.1
64.08084	14.7
67.05494	100.0
69.07063	75.5
74.15388	11.3
76.55167	14.3
79.05489	20.6
81.07046	100.0
91.05487	18.5
93.07007	15.5
95.08607	86.3
107.08554	20.1
109.10165	41.2
121.78884	15.3
123.11720	17.1
133.10156	22.1
135.11714	18.8
173.85661	14.0
233.18883	35.4
251.20010	85.7
260.87570	17.5
279.09415	15.8
304.94809	19.6
359.23700	21.7
438.90939	20.5
456.33597	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82801	3.2
53.96079	3.0
55.05490	3.0
57.07070	28.9
60.43791	2.9
67.05491	3.6
69.29042	2.7
70.06588	22.0
71.08607	13.8
85.10177	9.7
88.07623	39.1
95.08589	8.0
99.60378	3.5
102.09179	19.9
106.64979	3.9
109.10157	5.4
145.88156	3.6
174.22473	3.4
200.20078	80.1
218.21300	4.5
223.45467	4.0
231.25322	3.8
234.79105	3.6
283.26282	58.7
456.44070	100.0
457.34836	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1106
Annotation	FMN
Peak:m/z	Relative Intensity
51.49603	21.9
55.05490	48.6
62.66117	26.7
70.87533	25.9
85.02889	58.9
97.10143	70.9
107.04961	100.0
115.11213	66.8
121.06577	42.9
151.07547	48.9
152.11726	32.9
228.41296	29.6
230.98190	35.6
245.33047	34.3
406.62582	32.2
457.11255	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97598	2.3
54.05090	2.1
54.63476	2.6
57.41732	2.6
58.24094	2.0
58.39721	2.1
63.74704	2.3
66.13242	2.5
66.94157	2.4
70.06580	5.4
89.46528	2.7
101.00896	4.8
107.82384	2.7
113.00783	3.1
116.07089	3.6
119.01893	15.9
120.71777	2.7
124.02435	6.3
130.56470	2.8
131.01857	6.7
142.03497	19.7
143.01860	25.9
154.03481	6.2
155.01877	7.5
157.03444	8.0
160.04602	3.7
161.02954	44.1
165.05096	10.6
173.03015	9.2
175.04494	3.5
177.05185	4.2
180.05017	4.5
184.04538	79.2
184.06099	5.5
185.02881	4.6
191.03996	5.6
196.04578	15.5
198.06197	5.1
203.03957	18.5
208.04559	6.4
214.05634	9.5
244.06694	8.9
263.06097	100.0
277.07745	26.3
295.08765	10.6
304.08963	15.0
310.96985	3.2
318.10294	36.4
337.09787	4.3
457.11545	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	457.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.2
54.91602	0.8
75.08119	0.9
80.75666	1.1
91.05472	1.8
93.07039	3.7
95.04957	2.0
103.05468	2.8
105.07077	2.5
105.79282	1.0
107.04946	100.0
121.06506	29.9
121.07183	0.9
124.89418	1.1
131.04935	1.3
133.06461	5.6
135.04416	1.4
139.03886	23.2
142.88063	1.0
149.05974	2.1
151.07532	42.7
163.03909	4.0
177.05438	9.9
181.04932	1.5
205.04953	1.3
239.52005	1.0
304.08652	1.4
463.06580	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.10682	1.8
61.54463	1.9
67.31142	2.3
69.14471	1.6
79.05486	3.7
84.08126	4.2
85.02894	2.7
91.05457	3.1
93.07035	6.1
95.04961	4.9
97.10179	3.9
99.39581	2.1
102.44048	1.8
103.05447	2.9
107.04950	100.0
112.85114	1.7
113.63947	1.9
115.11261	3.4
121.06503	31.5
126.59954	2.2
133.06499	7.4
135.04375	3.0
139.03917	23.0
149.05980	4.6
151.07535	59.1
163.03833	3.2
165.05463	3.2
177.05449	34.1
192.03839	2.0
195.06654	2.9
239.55804	2.4
259.09955	2.2
271.09793	2.0
289.10522	3.0
296.77606	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.8
57.07067	3.9
64.39932	1.5
67.10803	1.5
68.08409	1.6
69.03437	1.8
70.06593	2.2
72.37676	1.5
79.05473	2.4
79.20844	1.8
84.08141	3.9
85.21851	1.7
91.05499	2.5
93.07072	3.6
95.04965	4.5
103.05479	2.3
105.07061	2.6
105.57038	1.7
107.04944	100.0
121.06486	34.9
121.07287	2.3
130.79520	1.8
133.06541	6.4
135.04460	2.2
139.03880	21.0
149.06055	5.2
151.03885	2.5
151.07529	53.7
163.03961	2.5
163.42990	1.9
165.05441	2.7
177.05467	38.8
180.36578	1.8
208.60039	1.8
271.09613	4.5
289.10684	4.9
394.97330	2.2
408.12302	2.3
457.22562	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	457.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00729	8.5
57.07057	24.9
58.32172	9.9
59.04991	15.2
63.38347	11.9
64.46404	8.8
67.51091	10.7
69.07059	18.3
79.05453	11.4
81.07065	14.8
83.01333	18.7
91.05480	19.1
95.08604	32.1
100.53732	12.1
105.07050	18.8
107.04939	22.6
113.09604	15.4
145.06500	27.2
145.10156	25.2
151.04015	12.7
155.08563	14.8
157.10085	22.6
161.06064	17.7
171.08032	14.6
173.09560	23.5
175.07738	14.6
177.05476	17.3
179.13651	12.3
183.08134	13.9
185.09663	44.5
191.03458	15.0
199.07585	29.3
201.09192	15.9
207.43079	12.4
213.09010	22.6
215.14336	14.3
225.12836	13.8
229.08527	26.1
231.10143	29.4
241.08513	13.7
269.11533	21.2
275.09183	24.3
291.60986	13.6
297.11224	26.7
305.10153	47.5
325.10233	20.3
343.11963	18.6
354.51791	14.0
361.12756	57.2
379.13904	41.1
389.12164	22.7
407.13159	17.8
425.14319	100.0
443.15353	44.8
466.16989	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	11.0
63.88091	6.5
67.05480	11.6
69.07053	9.9
70.06583	9.9
71.04993	7.1
80.61905	7.8
81.07062	26.3
84.22395	9.0
85.39903	9.0
86.09690	9.2
93.07007	17.7
105.06983	8.8
120.32027	9.8
137.35092	11.4
292.16205	11.1
367.22900	10.7
385.23654	33.4
457.18231	100.0
472.93521	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1849
Annotation	2-[3,5-Dimethoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
53.47597	17.2
54.55117	15.8
56.96531	19.3
59.28036	15.1
59.88111	13.8
62.40892	17.0
64.41805	22.1
65.48034	16.4
71.91561	16.3
72.64357	15.9
79.64420	17.1
103.93060	20.5
139.27083	22.0
197.83398	20.6
214.46965	22.0
263.38861	28.5
457.18042	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	51.1
59.08170	8.5
65.39700	10.9
65.74572	9.9
67.05482	25.0
75.65507	12.5
85.06553	14.4
91.03326	11.5
91.05511	12.6
95.04958	100.0
105.03383	13.1
109.06498	26.6
122.91071	12.8
123.04437	76.8
127.22655	11.3
128.06168	13.1
133.02849	41.1
136.43048	13.6
137.05948	29.4
147.04420	13.0
149.02361	18.7
151.03920	47.0
153.05447	44.3
156.13309	11.9
159.08011	13.6
166.02577	16.1
167.03365	89.0
179.03438	44.6
183.06537	44.0
193.04948	29.5
211.06020	77.5
217.28220	13.1
247.13275	33.2
276.03204	13.2
276.81070	14.9
308.71848	12.5
384.03009	14.4
409.16577	16.9
457.27731	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	457.2039
Annotation	Tyr Gln Phe
Peak:m/z	Relative Intensity
63.46641	1.4
78.00545	1.7
85.02934	1.9
97.07946	1.5
125.56971	1.8
153.99063	1.9
259.28473	2.2
401.38449	2.3
403.25461	1.8
457.20392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2044
Annotation	Tyr Gln Phe
Peak:m/z	Relative Intensity
67.81236	2.4
68.38116	2.4
70.06587	14.1
81.26841	2.2
82.31062	2.9
86.09682	9.0
91.70983	3.3
93.15582	2.4
110.33165	2.5
114.54181	2.9
229.15617	5.3
233.43271	2.6
295.46301	3.4
379.51566	3.2
415.28555	4.6
457.20496	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2044
Annotation	Tyr Gln Phe
Peak:m/z	Relative Intensity
52.92884	1.2
53.33356	1.4
58.50011	1.3
58.88968	1.2
69.03403	3.5
70.06574	3.9
72.08138	5.1
80.88828	1.3
81.03407	3.5
84.04467	1.7
85.02890	3.0
86.09696	4.2
91.05483	1.4
93.07000	1.9
105.01876	2.0
105.03430	1.8
107.08569	3.1
109.02920	3.2
110.99782	1.4
112.43249	1.5
119.08521	1.4
121.10156	1.9
137.09622	4.7
137.20656	1.8
149.09622	3.6
154.43707	1.4
191.14297	6.2
200.98450	1.8
229.01048	1.9
232.43881	1.9
295.15396	2.1
308.13327	1.7
457.20383	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2049
Annotation	Tyr Gln Phe
Peak:m/z	Relative Intensity
51.11425	2.1
58.99257	2.2
65.33597	2.4
70.70229	2.2
74.87190	2.6
85.02885	4.1
91.05449	4.0
92.05801	2.6
119.04913	6.6
147.04453	21.6
148.04745	11.1
149.04895	5.0
249.86282	3.2
295.15244	6.1
342.60693	3.2
457.20349	100.0
463.50824	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2043
Annotation	Tyr Gln Phe
Peak:m/z	Relative Intensity
52.78473	1.2
60.71897	1.7
60.99485	1.2
66.81446	1.4
91.71025	3.7
100.66139	1.4
126.35767	1.6
142.31282	1.4
158.08939	1.4
185.04097	2.3
214.90155	1.6
295.15063	9.7
398.64139	1.7
457.20383	100.0
480.11679	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	457.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
65.18962	2.9
65.28526	2.4
69.03419	6.3
71.97579	2.3
75.54147	2.4
75.80230	2.2
80.20380	2.5
81.03423	7.3
85.02909	10.1
91.70996	3.2
96.27235	2.5
105.06968	3.2
107.04960	9.7
109.02885	4.6
127.01719	2.8
127.03930	6.1
131.04884	17.0
135.00749	3.2
141.15141	2.7
142.67784	3.4
145.06461	7.1
149.05966	4.1
160.93828	3.0
161.06190	3.3
172.57451	3.3
173.05959	29.0
185.04213	9.5
215.07072	6.6
240.38432	3.2
258.14325	3.0
258.90781	3.1
306.51349	3.2
347.09442	46.2
423.20932	3.7
457.20407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07046	23.9
62.30317	12.7
70.06580	25.7
82.49666	15.5
88.07614	26.3
88.37777	16.6
102.09164	26.0
128.92308	15.9
178.97972	23.8
196.22244	15.8
200.20139	55.4
206.97447	66.3
220.00533	17.2
224.98253	16.7
244.00557	16.9
248.00157	31.6
279.86710	17.4
283.26297	42.8
295.19925	15.7
308.34894	14.8
320.35120	19.6
327.38461	16.4
357.15015	29.3
375.16205	22.2
377.29749	19.8
393.17471	20.8
398.17734	50.4
411.18100	26.5
416.18668	100.0
439.20160	19.5
456.44244	68.3
457.21451	85.5
457.35049	23.8
457.44659	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	457.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54606	0.8
52.32551	0.9
57.07064	2.9
59.79504	1.3
64.15839	1.1
67.26891	1.0
70.06582	100.0
73.54878	1.0
76.49681	1.1
77.30154	1.0
81.07081	1.4
86.09693	15.0
88.03989	2.9
104.59547	1.5
107.04932	1.7
115.01756	1.3
116.07079	1.3
138.09126	1.9
141.10255	1.5
152.52174	1.4
156.10225	1.9
172.15839	1.5
201.12329	9.6
206.12009	1.4
229.11885	2.8
229.15445	48.5
457.19766	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	457.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11651	3.7
56.96556	4.3
57.07067	6.7
65.35851	4.3
95.04999	5.5
109.17715	4.5
112.55705	4.5
137.05994	16.8
349.22690	5.7
378.13535	5.9
396.94672	5.3
457.27667	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
84.26349	18.8
89.44863	15.9
102.84441	19.9
131.02243	18.4
160.12958	21.7
177.05505	43.1
233.41220	26.5
325.05630	51.5
367.03610	25.7
421.53049	25.4
445.44601	25.4
458.16656	100.0
459.14969	72.7
472.85056	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64159	5.5
57.07062	23.0
67.05498	6.5
73.47234	5.6
81.07066	8.6
91.05429	7.7
92.41746	7.4
93.07017	8.5
105.07047	8.0
121.06476	6.6
147.08064	10.3
175.07471	8.0
177.05554	7.4
229.12337	9.7
233.08005	9.7
239.10689	11.4
257.11804	7.9
267.10220	10.8
285.11084	11.1
331.11646	13.4
367.13849	15.0
377.12411	11.3
441.13864	100.0
458.16473	38.5
459.15042	50.1
482.16675	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	458.217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50007	2.1
68.88901	2.1
69.07334	2.2
95.06095	2.4
119.91022	3.2
131.04982	3.7
136.07576	14.4
137.05995	3.9
141.82983	3.0
151.07562	5.1
164.07050	100.0
165.07843	67.7
177.05295	2.3
179.09387	18.5
180.10176	97.8
193.73659	2.4
257.88293	2.4
282.49207	2.8
293.81030	2.7
412.21085	4.7
458.21683	66.6
458.27939	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	458.217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	1.6
73.26774	1.2
73.86634	1.2
81.77821	1.5
86.67494	1.4
95.01283	3.1
105.07030	2.3
121.06470	1.7
133.06497	1.7
135.06816	8.4
136.07576	9.6
150.09109	10.9
164.07054	100.0
165.07869	11.5
176.08324	5.0
177.05478	1.7
178.08615	9.8
179.09413	14.1
180.10229	11.0
195.02893	2.1
261.11227	6.4
443.19614	3.7
458.15408	3.5
458.21689	68.5
482.16733	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	458.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45278	6.6
55.05509	13.1
55.42446	6.0
56.96571	16.0
57.07079	15.2
67.05521	22.9
68.05045	9.0
68.96226	6.1
69.03438	7.2
69.07074	17.5
79.05504	34.4
80.05003	11.1
81.07075	34.8
82.06563	8.3
84.04495	9.7
85.02914	8.9
88.46686	7.6
91.05464	49.8
91.71652	11.0
93.07037	48.9
94.06580	16.2
95.04986	22.9
95.08630	23.8
96.04504	16.0
97.02879	7.2
105.07024	66.2
106.06587	17.4
107.08581	37.4
108.04572	10.1
109.10181	20.9
110.02448	18.0
110.06085	24.5
113.25247	7.5
115.05479	11.7
117.07063	28.4
118.06531	10.4
119.08561	82.8
120.08086	7.5
121.10172	22.8
126.05536	13.9
128.03499	21.2
128.06282	11.8
129.06985	15.7
131.08574	81.4
133.10101	38.7
134.06128	9.5
135.08092	20.9
136.07623	13.9
138.01949	12.2
138.99089	7.3
140.03497	25.0
142.07819	18.1
143.08582	48.5
145.10147	55.2
146.09726	14.2
154.05098	22.4
155.08589	19.3
156.09389	10.8
157.10107	39.7
158.04549	34.6
158.09622	10.1
159.11765	20.2
162.05591	19.1
169.10225	16.8
171.11646	21.0
173.13243	100.0
174.09355	8.2
178.05035	38.1
179.08632	17.2
180.06552	11.6
181.10060	11.6
183.11781	31.5
185.13327	26.0
188.05618	12.2
193.10147	11.6
194.10889	11.7
195.11749	10.5
197.13507	9.6
199.14948	17.6
204.06816	9.4
208.12665	9.2
209.13365	40.3
223.14894	15.7
234.07622	10.1
239.18044	10.0
252.08742	32.2
262.38809	8.3
265.19498	59.8
266.10272	14.4
283.20618	13.1
348.18289	8.1
366.19052	95.4
397.56232	8.2
413.04004	10.7
458.25388	34.6
459.07278	19.8
478.22531	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	458.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91164	6.3
54.51527	6.0
55.01867	6.6
55.05508	9.2
55.76300	5.7
56.63560	6.4
56.79862	5.8
56.96546	15.2
57.07064	12.4
59.08686	5.7
60.32279	6.1
67.05484	15.8
69.07034	13.7
79.05483	23.3
80.05008	8.5
81.07048	29.8
82.06589	8.6
83.08610	9.6
84.04511	11.1
85.02920	8.6
91.05476	53.7
91.78835	7.5
93.07026	48.9
94.06563	18.6
95.04927	10.1
95.08608	23.0
96.04484	17.2
105.07016	63.6
106.06565	14.8
107.08600	31.8
109.10123	15.8
112.03999	8.3
117.07026	26.1
119.08566	56.1
121.10139	16.2
126.05576	7.3
128.03445	20.7
128.06233	10.9
129.07010	13.0
131.07619	10.4
131.08556	71.5
133.10118	40.9
134.05960	11.9
135.08093	14.4
140.03453	23.8
141.06979	9.8
142.07808	13.1
143.08559	35.1
145.10127	46.2
147.11679	13.0
148.07545	9.8
154.04968	15.6
155.08490	8.5
156.09445	8.1
157.10112	40.2
158.04515	31.5
159.11650	15.4
162.05479	13.0
168.09340	14.0
169.10168	9.2
171.11664	16.2
173.13237	65.5
176.06967	9.7
178.04999	34.8
181.10092	8.6
183.11569	17.1
185.13289	19.2
195.11737	12.9
199.14844	17.0
209.13292	33.4
223.14876	8.4
228.08888	10.3
252.08632	18.4
265.19388	43.7
266.10251	19.0
283.20462	10.2
357.40152	9.0
366.19131	100.0
402.71689	8.7
458.25470	21.6
459.06943	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	458.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.9
55.76102	1.5
58.74192	1.9
60.05627	7.3
70.06236	2.9
70.06585	42.7
72.08145	100.0
72.41034	1.8
80.02149	1.8
80.36343	1.8
80.95074	2.2
86.06044	6.8
86.09689	3.3
91.71614	2.1
98.97585	2.2
112.08694	4.4
114.05521	7.6
114.10330	2.2
115.08698	5.1
116.07075	12.4
130.09763	3.8
142.09741	6.0
143.11758	11.6
149.39177	2.1
158.09248	8.2
171.11299	3.0
175.11909	19.7
185.09178	11.0
195.51549	2.1
247.34105	2.7
257.16061	4.2
399.09525	7.4
458.27148	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59140	5.7
55.01875	22.5
56.18596	5.1
56.27462	6.3
57.03432	9.7
67.05499	54.7
69.03417	42.0
69.07078	12.9
71.05000	14.2
73.02914	11.5
79.05518	30.2
80.21809	7.0
81.03408	42.5
81.07047	60.4
82.81631	5.8
85.02925	9.7
91.05501	19.3
91.71647	12.2
93.07026	39.3
95.04951	6.4
95.08597	38.9
97.02901	41.4
99.04443	65.9
105.07056	14.8
107.08646	25.9
109.02850	38.3
109.10203	18.2
111.04446	11.7
111.95908	6.4
121.10179	27.7
121.95758	6.6
123.11800	8.8
127.03916	100.0
127.04774	9.6
133.10194	7.8
135.11736	15.0
145.05051	13.5
149.13322	9.4
159.11673	8.7
175.37311	7.0
245.01489	7.2
261.22183	12.8
294.21100	8.8
294.72046	7.0
317.54904	7.5
423.27252	19.4
440.24670	12.3
458.26379	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	17.6
57.03436	14.8
59.34190	7.7
65.03956	10.1
67.05496	77.8
69.03446	30.7
69.07071	26.1
74.22200	9.4
79.05499	31.0
81.03440	42.5
81.07046	68.6
83.08628	10.7
85.02927	25.5
91.05491	33.8
93.07064	38.2
95.05001	14.9
95.08625	46.5
95.21943	8.2
96.08929	9.6
97.02951	19.4
98.98454	9.5
105.07049	18.8
107.08619	24.0
109.02915	13.0
109.10172	18.0
120.96673	19.7
121.10180	13.5
124.93013	10.2
131.08583	14.7
135.11749	17.2
144.82289	10.0
145.10185	20.2
158.49329	9.7
159.11688	14.5
173.13315	12.2
182.89043	9.2
228.26546	9.7
245.93590	10.2
268.15512	11.0
303.82962	11.4
338.27731	22.0
360.25790	13.2
369.24390	10.8
387.88641	12.8
405.26547	13.6
440.25177	26.7
458.26193	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46138	2.2
51.91821	2.0
54.76355	2.4
65.87208	2.1
66.21216	2.0
68.83173	2.4
70.46175	2.4
73.22211	2.4
79.39328	2.3
150.45819	2.6
173.11945	2.8
187.13567	23.7
188.14375	5.6
195.13837	2.7
200.14381	25.5
201.15137	6.9
341.57315	3.1
398.30518	100.0
441.25040	3.0
458.32639	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	459.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38632	5.0
53.88701	4.8
57.07071	9.4
58.66518	5.0
60.06744	4.7
65.00657	4.6
69.03419	6.4
76.66719	5.6
84.91707	5.7
85.02880	11.3
91.05465	7.0
95.04883	6.0
95.08598	8.9
98.97557	6.7
107.04961	6.5
107.08616	7.1
121.02872	6.1
130.58723	5.9
135.06851	5.7
143.00381	6.1
145.06456	11.0
147.04388	9.5
150.09215	8.1
164.07083	56.7
165.01828	20.5
165.07477	19.9
167.03265	6.7
179.09457	6.7
183.02882	13.5
191.03651	6.4
203.02960	9.3
205.04979	6.0
216.02328	5.6
232.07129	16.9
250.11398	7.4
271.10858	7.1
307.09875	6.6
309.07532	100.0
321.07718	8.2
335.09152	8.2
339.08655	69.3
349.10641	9.3
363.08566	40.1
375.08609	10.4
387.08472	12.2
393.09512	21.7
393.57809	6.7
405.09698	20.3
423.10553	24.1
441.11844	13.0
458.21521	18.6
459.16068	25.4
459.22055	40.0
470.10196	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	459.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09573	47.2
67.05503	100.0
69.39663	55.1
69.88508	49.7
79.05495	92.9
81.03421	61.2
81.07045	73.5
95.08609	76.9
95.42339	54.9
100.91424	64.4
261.14835	87.1
267.68268	88.5
291.72552	83.0
400.32111	91.4
432.30307	87.3
459.22644	95.7
477.85342	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27508	2.5
56.99796	2.6
64.21684	3.1
70.06585	6.4
71.46492	2.9
86.09718	4.7
91.31945	3.4
104.09670	3.7
123.49610	3.5
134.04718	3.6
139.43820	3.1
147.11429	3.3
182.04968	27.3
195.13606	5.6
198.52435	4.2
208.02797	20.0
213.92770	3.3
243.04773	8.0
272.54898	3.6
273.29889	3.9
279.09085	4.5
287.03674	73.2
289.05206	23.2
312.53552	3.7
327.08704	12.1
346.57410	3.7
415.19202	9.8
427.30927	3.8
459.18311	100.0
466.31125	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	459.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05767	11.7
57.26252	10.8
63.95650	10.5
70.58433	10.8
72.08171	14.1
74.06081	13.8
91.71664	14.2
110.15632	11.9
127.00036	15.7
127.93433	13.7
129.13272	13.0
187.35811	16.3
273.14029	16.5
371.82205	16.0
397.19748	23.5
435.82013	14.7
441.18933	35.7
452.64603	15.8
459.21912	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	12.2
60.11390	2.1
63.28400	2.4
68.47112	2.4
71.43900	2.4
75.23275	2.3
84.39034	2.4
153.65218	3.0
153.68968	2.8
162.57411	3.2
165.63181	2.8
167.51849	3.2
187.54683	2.9
217.85291	3.4
226.21751	3.5
234.06891	3.9
311.15262	3.6
323.19174	4.1
334.16983	4.6
349.16928	14.9
367.17865	21.2
385.18723	22.2
390.19568	11.8
408.20544	20.9
426.21661	13.1
459.22748	100.0
464.78235	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	13.8
57.03422	12.3
57.07069	4.9
67.05495	76.3
69.07068	10.6
79.05489	37.8
81.07036	59.9
83.08578	6.7
91.05473	40.3
91.70933	6.2
93.07041	50.3
95.04973	8.7
95.08613	44.8
98.98455	100.0
105.07027	22.2
107.08582	33.7
109.10167	18.0
114.67534	6.2
117.07015	10.8
119.08564	23.8
121.10151	24.9
123.11721	12.7
129.05486	7.1
131.08569	15.2
133.10136	27.8
135.11703	14.5
145.10144	14.2
147.11670	18.8
155.01044	13.8
157.10181	5.6
159.11717	12.4
159.28369	6.1
171.11685	14.1
173.02106	24.7
173.13370	10.1
183.43275	6.7
185.13153	8.5
203.17947	16.9
217.60889	7.6
217.63115	7.0
236.93977	6.9
269.22656	26.2
270.59015	6.7
287.23663	39.3
361.27246	32.1
386.11966	8.0
391.51923	6.8
409.33478	7.3
459.26178	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	459.2501
Annotation	[(1R)-1-(hydroxymethyl)-2-phosphonooxy-ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Peak:m/z	Relative Intensity
54.47973	4.9
55.05497	19.6
55.35169	4.9
57.03434	14.1
57.07071	10.6
58.14714	6.0
67.05502	81.2
69.07050	22.3
74.41086	6.1
79.05492	15.8
81.07047	70.6
91.05487	34.9
93.07035	36.1
95.08598	48.8
96.74113	6.5
97.10150	7.5
98.98462	100.0
105.07027	29.7
107.08589	26.3
109.10143	16.8
117.07050	9.7
119.08559	22.3
121.10153	27.7
123.11740	12.8
131.08577	18.5
133.10117	20.2
135.11736	10.1
140.01114	7.4
145.10144	10.0
147.11707	10.9
155.01036	6.4
159.11699	8.1
160.46428	6.8
164.28200	6.5
173.02103	21.2
173.13339	9.1
203.17931	7.0
269.22702	26.3
287.23709	28.9
361.27499	20.4
459.26254	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	9.0
53.03934	12.9
55.05497	15.2
55.34811	6.4
55.46309	7.0
56.50049	5.9
56.84515	7.1
57.07068	76.7
69.03382	9.2
70.53427	7.3
81.07054	10.1
83.04974	75.1
85.06532	28.6
88.66433	8.1
91.05473	12.5
95.04904	10.4
121.06496	34.1
135.04422	40.3
159.08043	23.9
187.07553	19.5
209.09624	10.0
225.09091	9.4
227.10695	15.9
375.19580	23.7
408.05783	10.6
426.04446	9.7
441.24432	14.2
459.25110	91.5
459.30899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79387	1.2
53.75800	1.5
54.20723	1.2
77.21991	1.4
88.44743	1.5
89.07663	1.4
108.25092	1.7
183.84344	1.6
192.96245	2.0
251.19351	1.7
252.08710	1.8
390.39569	2.0
459.32861	100.0
460.32892	4.0
473.99268	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	459.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50968	0.9
55.05503	9.9
57.07059	5.3
67.05485	5.2
69.07058	20.2
71.08619	1.8
81.07039	16.5
83.04968	1.3
83.08597	8.1
83.33695	1.1
84.04492	1.2
91.03653	1.2
91.05477	4.0
93.07022	5.0
95.08598	11.4
97.06527	1.7
97.10168	6.2
100.64847	1.6
105.07003	2.5
107.08577	7.8
109.10162	9.2
110.70892	1.1
111.08052	2.2
117.52190	1.3
119.08573	2.9
121.10141	6.3
121.76404	1.3
122.07256	1.6
123.11716	2.6
130.04977	8.5
135.08028	2.9
135.11690	3.8
137.09602	12.3
139.07536	1.9
139.47200	1.3
145.10162	2.2
149.09593	15.4
149.13315	2.6
159.11684	2.1
160.07597	1.8
161.09674	1.9
162.06767	1.5
163.11203	6.8
165.09093	100.0
173.09633	1.9
173.13313	1.7
174.09143	1.8
175.11206	4.0
177.09013	7.1
179.10603	2.5
185.16078	1.1
187.11282	1.8
189.12726	2.6
190.08438	1.3
191.10643	8.1
199.11208	5.3
203.10674	4.6
203.14330	2.5
205.12260	11.1
217.12228	2.1
218.08141	2.5
248.24263	1.4
395.32919	2.0
396.32895	2.2
413.34271	4.7
423.32867	2.1
441.33441	9.9
442.33212	5.2
459.35242	6.5
460.35300	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	459.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	13.0
57.07067	5.6
63.53458	1.7
67.05486	6.5
69.07056	20.7
79.05483	2.8
81.07042	18.5
83.08615	6.1
91.05497	3.8
93.07048	6.6
95.08576	13.2
97.06519	2.6
97.10151	5.4
107.08591	5.7
109.10143	10.0
111.08029	2.7
111.29110	1.9
119.08592	5.3
121.10133	6.2
123.11699	2.7
130.04982	5.5
133.10187	3.5
135.11713	4.7
137.09605	11.0
145.10231	2.5
149.09624	16.1
149.13194	2.8
157.10124	2.6
159.11673	3.0
163.11192	6.4
165.09094	100.0
175.11203	5.5
177.09099	7.6
189.08966	3.2
189.12793	2.1
191.10696	7.4
199.11359	3.4
203.10683	5.6
203.14282	2.7
205.12276	12.9
207.67245	2.4
219.13792	2.6
253.95337	2.3
358.52570	2.5
413.34476	3.4
441.33569	12.6
442.33044	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57850	0.6
55.05500	6.6
57.05800	0.8
69.03412	1.1
72.08145	100.0
72.75295	0.8
77.55417	0.7
80.77435	0.7
85.02902	1.9
85.22021	0.8
86.09695	1.7
90.35187	0.7
97.02875	1.0
105.51041	0.9
118.08646	61.7
121.06509	4.2
127.03944	1.6
145.05034	1.1
189.99017	1.0
235.58839	0.9
314.15930	1.1
396.58832	1.0
398.56677	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.9
56.05019	3.2
56.95277	2.0
58.06569	2.5
62.64781	2.4
63.45761	2.2
70.06575	14.8
72.08145	100.0
74.06068	11.8
76.02222	3.2
84.04481	13.2
84.08132	7.6
86.09698	37.5
91.71069	5.0
97.09174	2.8
101.07136	8.4
102.05563	2.8
128.10722	7.9
129.10258	10.9
130.04953	2.8
143.11795	30.7
147.07576	2.9
171.11275	17.6
173.12830	33.9
183.11298	6.8
189.12354	5.3
201.12358	20.2
230.08972	3.4
254.14972	15.2
260.15778	2.9
272.16034	9.6
290.16953	7.3
325.22433	3.0
325.57236	3.4
353.21909	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	460.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80994	2.3
55.05493	10.3
56.05015	7.1
56.80349	2.1
56.99385	2.2
57.07047	4.7
58.34021	2.5
61.32471	2.2
61.71415	2.2
67.05488	17.6
68.24658	2.2
69.03410	6.6
69.07051	8.8
79.00793	2.3
79.05475	10.6
80.05021	2.5
81.03390	3.8
81.07046	14.9
82.06581	7.6
83.08605	7.5
85.02885	14.3
86.06059	2.6
91.05465	5.7
93.07039	11.5
93.16864	2.4
94.06579	5.8
95.08598	16.3
96.08110	7.4
97.02885	5.6
97.10136	3.4
97.25127	2.4
105.07056	5.4
107.08579	5.5
119.08579	4.9
124.61915	2.7
130.40610	2.3
133.10118	2.9
135.03316	2.6
137.06013	4.2
150.53354	2.9
196.35562	2.6
250.25410	6.0
255.69482	3.6
262.25244	25.6
264.70178	3.0
280.26324	100.0
285.09595	2.9
285.95566	2.6
292.73749	2.8
298.27344	3.1
359.57983	3.3
367.04483	3.2
442.31668	8.3
460.32291	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	460.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
73.09135	5.4
73.56912	4.0
81.64772	5.5
83.59965	4.3
102.01281	5.0
103.98816	5.8
125.35007	5.2
135.41689	4.8
147.04428	9.0
149.07373	5.1
189.15192	17.6
202.15982	18.4
288.69870	5.8
400.32050	97.3
449.70288	5.4
460.34140	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	13.6
74.52605	11.7
77.96198	13.7
80.79164	15.9
85.33236	15.7
107.04968	37.1
119.03580	14.4
122.42014	17.3
176.41525	18.7
181.14444	16.3
226.96246	18.2
461.08450	100.0
461.18747	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	461.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.10454	3.2
69.45918	2.8
71.04969	3.8
74.57056	3.3
85.02883	2.9
103.05345	3.2
127.36785	3.1
137.05962	6.6
154.30084	3.4
308.53851	3.8
351.06735	4.3
461.08389	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.10454	3.2
69.45918	2.8
71.04969	3.8
74.57056	3.3
85.02883	2.9
103.05345	3.2
127.36785	3.1
137.05962	6.6
154.30084	3.4
308.53851	3.8
351.06735	4.3
461.08389	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75788	1.1
55.05497	1.7
55.28133	1.3
65.03930	2.6
67.42885	1.5
73.02910	14.0
81.07051	2.8
85.02839	2.0
87.04463	1.9
91.05456	1.7
92.02618	1.9
99.04458	2.9
140.94421	2.0
153.01823	8.7
229.04947	2.8
232.18573	1.7
257.04385	2.9
273.03979	2.3
274.04675	3.9
285.04016	4.5
298.90881	1.9
302.04337	7.1
317.06540	100.0
326.67340	2.1
442.99524	2.0
453.17630	2.4
461.24890	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	461.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11631	0.6
51.14198	0.6
55.01870	0.8
57.24445	0.6
79.04816	0.8
79.05474	0.9
84.56721	0.7
85.02911	2.2
91.71648	0.9
95.04991	1.7
100.64706	0.7
107.04946	100.0
119.21355	0.7
121.06444	0.8
165.01857	1.1
189.05527	2.8
205.04936	14.4
217.05089	2.5
226.06378	0.8
231.06496	4.5
235.05981	8.7
239.76807	1.0
245.08133	1.8
259.06091	1.7
263.12802	1.4
271.06030	1.1
301.07083	1.2
311.09128	27.6
337.10779	1.5
341.10165	19.5
342.10596	1.0
351.12402	2.6
365.10062	13.7
377.10291	2.2
389.10361	3.3
395.11145	6.9
407.11331	6.3
425.12308	6.7
443.13470	2.7
461.14716	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66010	7.0
52.45419	7.5
58.17393	7.3
67.30701	7.5
70.77257	8.5
71.54219	8.5
72.80841	8.2
107.04951	13.8
115.79317	9.7
152.10048	9.7
195.56750	9.3
198.86432	9.3
219.13702	10.6
419.84741	12.6
461.17740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18698	18.9
55.05510	20.3
57.03445	20.8
60.05783	19.8
60.59714	20.1
67.05491	23.1
69.03452	20.8
69.07034	23.3
70.83850	19.8
73.02876	27.4
81.07028	43.4
85.02906	30.1
91.05431	24.9
95.08611	36.9
107.08599	28.6
121.10102	25.4
157.77493	27.2
223.16780	22.0
317.06555	84.4
399.95877	31.7
461.17822	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00387	3.1
50.85868	2.8
55.05501	5.1
55.32459	2.9
67.05493	5.3
69.03413	6.5
69.07037	3.8
69.48887	3.1
70.06590	6.6
72.08132	7.5
81.07056	5.0
84.08144	3.9
85.02904	4.3
86.09706	10.9
91.05459	3.7
93.07041	4.2
95.08619	5.2
97.02896	4.7
100.11244	6.0
105.07044	6.6
107.04902	3.9
108.50798	3.1
115.03919	4.3
159.11714	5.4
209.16501	3.7
220.82521	3.9
246.11931	4.6
253.19434	4.5
263.13107	4.3
263.16302	5.5
281.19040	13.4
329.15475	5.5
461.19888	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09935	1.4
53.52316	1.4
67.65479	1.7
69.16406	1.8
69.96927	1.6
72.08147	5.1
84.04485	2.5
85.02894	1.9
86.09722	2.1
89.11491	1.6
112.03746	3.1
120.25917	1.8
121.46609	1.7
129.01053	1.7
131.05553	2.1
149.06625	4.5
153.05217	3.5
153.17107	1.8
154.03584	1.7
171.06142	4.0
202.09288	8.5
220.10310	5.1
242.09973	100.0
243.11900	6.7
248.35477	2.0
253.10420	2.4
260.09821	5.3
265.10550	3.2
275.27408	2.0
283.11218	9.5
313.12454	4.7
331.13477	5.2
370.35040	2.1
443.18567	5.1
461.19543	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	461.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58110	1.3
54.80184	1.2
57.07069	8.0
60.34175	1.1
79.05480	3.8
85.06526	4.3
89.03909	2.1
91.05468	1.8
94.06750	1.2
95.04950	3.8
103.05468	1.6
107.04962	12.2
107.37945	1.4
110.03661	4.3
117.03364	3.3
119.08589	1.6
123.04423	1.9
126.03125	2.6
133.02821	1.8
135.04401	21.9
137.05939	2.6
138.03110	6.3
141.05424	2.2
145.02782	2.0
145.06465	1.6
147.08028	2.0
149.05963	3.8
153.05458	100.0
154.05618	1.7
163.03891	55.2
167.07022	3.2
177.05440	8.7
195.06522	36.4
203.14334	6.4
213.07513	14.7
249.14839	5.1
273.14816	2.7
342.91211	1.7
413.19879	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	461.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64864	1.7
54.58013	2.0
57.07064	23.7
58.77524	2.0
79.05478	1.9
85.06532	5.5
89.03925	2.9
95.04964	4.6
107.04927	11.4
110.03660	4.9
119.98632	2.0
121.06504	2.5
123.04460	2.1
133.06476	2.0
135.04411	18.0
138.03140	7.9
139.10266	2.1
141.05417	2.5
149.05989	2.6
152.04753	2.6
153.05453	100.0
163.03894	32.3
167.07082	3.8
177.05493	8.2
183.06485	2.6
195.06528	23.2
203.14331	3.9
213.07532	8.7
218.77602	2.3
249.14848	5.7
289.14383	3.2
291.59167	2.3
311.12900	5.3
313.10693	2.7
318.61472	2.6
395.18430	3.8
413.19495	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	461.217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01768	6.9
54.59133	7.1
56.96571	7.8
57.07066	14.2
60.76306	8.0
64.57579	9.6
68.90804	7.8
73.24428	10.9
91.05500	15.6
91.71547	9.0
95.04993	12.1
107.04945	39.2
123.04459	12.1
129.19688	9.2
135.04424	27.5
137.05957	16.6
153.05449	100.0
163.03896	69.4
169.91473	12.9
177.05453	13.3
195.06541	31.0
196.23260	10.5
213.07523	20.5
225.61963	10.1
231.13782	17.7
311.46271	11.2
358.54742	11.8
395.18170	18.6
461.22580	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	461.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23772	1.5
57.07061	4.3
67.05521	1.6
78.04689	2.9
89.03848	2.4
91.05464	6.2
93.07027	5.2
95.04965	4.4
95.08559	1.7
103.05466	6.6
106.04135	1.9
107.04926	3.8
121.06513	13.9
123.04409	7.1
124.05200	2.1
131.04918	8.1
137.05977	10.1
139.83914	1.7
140.04727	1.9
147.04369	3.1
148.05161	2.3
149.05968	17.8
153.05450	2.4
159.04503	3.0
167.07018	100.0
168.67192	1.6
177.05444	36.8
181.50133	1.7
209.08073	22.5
227.09061	29.2
461.29712	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	461.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60652	1.3
55.05505	2.9
56.05042	2.3
57.06620	1.5
60.04521	12.4
69.03425	1.8
69.07080	1.6
70.06589	5.4
72.08149	36.5
72.08524	2.4
83.05022	1.5
84.04497	23.7
84.04930	1.7
85.02918	4.0
85.04794	1.2
86.09700	100.0
87.04461	1.6
87.05594	9.0
91.05512	2.0
91.71130	1.8
96.08103	1.4
102.05531	7.2
104.41416	1.4
114.09154	7.8
116.07104	3.1
122.20327	1.5
126.05537	1.9
144.06580	16.2
146.11774	1.7
159.11276	43.1
161.09610	2.0
162.07610	34.2
173.12877	2.3
173.26265	1.6
183.07568	2.0
187.10774	24.0
211.09766	2.6
219.13895	2.3
251.07407	2.2
255.17224	3.3
257.14951	2.1
261.14493	2.4
275.16006	37.1
300.19296	6.0
374.18640	1.7
415.37250	2.2
461.19983	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	461.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17555	3.6
53.16984	3.8
54.63636	3.9
55.05501	14.2
57.03426	6.6
57.07055	9.5
62.92832	4.0
67.05499	66.7
69.07052	18.6
71.08630	8.6
73.95172	4.5
79.05489	35.2
81.07048	75.6
83.08611	13.2
91.05470	29.0
93.07037	47.6
94.34858	4.7
95.08614	45.0
97.06528	5.5
98.98460	100.0
101.07674	4.6
101.25740	5.8
105.07030	20.5
107.08589	32.7
109.10143	30.9
114.39604	4.9
117.07030	6.8
119.08626	12.8
121.10143	41.1
123.11687	11.3
129.05492	5.8
131.08566	20.0
133.06500	6.6
133.10143	17.8
135.11702	23.2
137.13263	6.2
140.01013	6.1
145.10120	11.0
147.04422	12.7
147.11754	7.7
147.65419	5.0
149.13251	7.9
155.01076	17.9
155.98329	5.2
159.11557	5.5
165.09100	48.2
173.02103	22.0
173.13370	7.0
187.14767	5.9
196.32297	6.3
205.19501	10.6
212.58002	5.3
271.24142	32.0
289.25162	38.1
363.28891	46.0
433.71573	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	461.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	16.2
57.03430	14.1
57.07070	39.3
59.94150	4.6
62.75073	4.1
67.05495	61.8
69.07058	20.8
79.05479	25.9
81.07047	53.7
83.04985	7.2
85.06548	18.7
91.05470	38.8
93.07025	49.6
95.04951	8.2
95.08601	51.1
98.98455	100.0
98.99058	8.3
105.06391	4.7
105.07017	27.8
107.08595	23.1
109.10158	12.1
115.91910	5.7
117.06992	7.3
119.08579	21.1
121.10116	33.4
129.05458	6.9
131.08578	24.2
133.10104	12.0
135.11693	16.5
136.60197	5.9
140.01105	10.3
143.08580	11.8
145.10150	18.0
145.14734	5.9
147.11705	8.4
155.01085	8.9
159.11700	17.7
173.02148	16.3
173.13242	10.3
175.35461	6.3
177.05481	26.4
203.10681	18.7
205.19444	12.7
271.24265	23.4
286.39639	5.7
289.25192	36.3
310.53156	7.1
363.28790	42.5
435.54370	7.2
461.26648	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57235	4.8
54.49190	4.5
57.07078	29.7
66.74946	6.1
67.05491	8.9
80.57735	5.2
85.06552	16.5
91.05458	11.0
93.07021	14.8
95.08612	14.0
105.07027	9.8
119.08540	16.7
121.06491	9.5
121.67487	6.8
135.04428	16.5
145.06430	9.3
147.08058	18.0
159.08080	9.0
172.08720	7.3
189.12782	16.2
203.14340	21.9
229.12230	59.2
231.13762	100.0
250.66525	6.3
254.07312	6.4
265.15823	7.7
432.26950	6.7
443.25531	16.6
461.08466	9.6
461.30591	18.1
465.03625	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	461.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81804	12.4
57.07066	100.0
79.05460	15.1
81.07038	20.4
81.07774	13.4
85.06541	30.2
91.05478	24.8
93.07047	16.1
105.06999	17.0
119.08582	31.0
227.14294	23.0
249.03635	18.8
274.55212	15.8
310.65836	19.0
354.08624	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	461.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91048	14.8
57.07064	100.0
58.25230	13.5
60.13109	13.6
67.05482	30.0
69.63416	18.0
70.01277	14.6
79.05458	28.5
81.07040	46.8
83.36134	17.3
85.06527	23.7
93.07047	40.4
95.08608	35.7
98.98492	46.6
119.08592	57.9
121.10082	32.4
162.91789	18.4
218.04701	21.5
242.33601	19.1
318.18143	23.2
451.43762	22.4
459.56931	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	461.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00518	2.1
52.92582	2.0
53.03942	3.2
55.05503	14.4
57.07060	6.0
65.03944	2.4
65.70427	2.8
67.05494	52.4
68.71622	2.5
69.07058	13.3
79.05484	15.4
81.07048	100.0
83.08596	12.9
91.05459	15.3
92.21027	2.7
93.07033	20.3
95.08597	52.8
97.10153	7.7
98.98457	6.9
102.11407	2.6
107.08586	12.4
109.10148	20.1
119.04927	22.9
121.10128	24.8
123.11694	33.7
135.11659	20.8
137.13246	13.5
147.04399	85.7
149.13205	6.6
156.29591	2.7
165.05482	10.5
169.00053	2.8
219.21184	6.1
330.56439	2.8
432.95093	3.2
438.77692	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	461.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46003	3.8
52.61554	3.6
55.05487	14.2
57.07058	6.0
65.03937	3.8
66.78924	4.8
67.05498	70.1
67.22652	3.8
69.07048	15.4
71.75452	4.2
79.05471	18.5
81.06600	7.5
81.07045	100.0
83.08606	24.7
91.05471	19.5
93.07050	22.9
95.08595	58.4
97.10165	11.8
102.10805	4.0
105.07030	6.1
105.25614	4.2
107.08579	14.0
109.10134	19.0
112.80560	4.7
119.04926	18.4
121.10107	30.2
123.11691	38.8
131.08566	4.8
133.81619	4.8
135.11694	18.7
137.13229	11.7
147.04396	68.5
149.13281	9.3
165.05426	8.1
219.21014	5.9
237.22307	5.0
419.38242	5.9
446.13940	6.2
461.32355	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	461.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	26.4
57.03451	26.3
67.05511	84.8
68.19527	18.9
69.07071	32.4
71.05020	19.5
79.05500	64.8
81.07059	68.3
83.08658	37.8
91.05505	100.0
93.07046	83.6
95.04971	27.6
95.08640	59.0
98.00677	26.8
105.07050	59.3
109.04619	22.4
111.71489	26.4
117.07027	53.0
119.08607	29.5
129.07054	78.1
131.08595	54.6
145.10196	34.8
159.11681	31.0
169.10150	43.1
176.12903	23.7
184.70732	23.6
207.83127	24.8
247.83830	25.8
293.02118	29.2
333.78571	26.6
351.23181	46.3
397.55682	26.0
433.18365	28.0
443.28262	55.2
461.29041	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	461.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86726	2.5
53.18527	2.7
55.05504	20.2
57.03423	10.0
57.07059	6.6
59.39308	2.7
67.05498	100.0
69.07050	11.6
71.04979	4.2
71.08626	2.8
73.48420	2.6
79.05480	32.4
81.07050	60.0
83.08617	8.7
85.06525	4.5
91.05461	33.1
93.07040	40.3
95.04963	7.5
95.08601	38.1
97.10149	6.0
98.98463	26.4
105.07019	26.5
107.08585	22.7
109.10153	51.9
109.86300	2.7
117.07006	6.1
119.08579	30.3
121.10130	30.1
123.11742	6.4
125.86732	3.1
131.01970	2.9
131.08580	12.6
133.10147	13.7
135.11699	12.1
137.09596	4.4
140.01186	3.0
143.08574	6.0
145.10092	14.7
147.11696	13.5
149.09648	3.3
154.22461	3.5
154.56531	3.7
157.10095	4.3
159.11667	10.0
161.13280	5.9
163.14854	3.7
169.10287	3.5
171.11722	5.1
173.02142	4.0
173.11739	10.7
173.13284	10.1
183.11781	3.3
215.17973	3.1
236.72557	3.3
289.25360	10.6
310.55762	3.5
351.27017	3.9
359.52097	3.5
363.28964	9.3
368.27606	3.6
369.27740	8.8
376.00641	3.5
443.31619	9.5
461.32556	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.7
55.01876	3.8
57.03431	4.3
60.46241	3.0
61.02920	5.1
69.03419	20.3
70.21001	4.0
73.02866	3.5
81.03403	17.8
81.07018	4.9
85.02898	88.9
91.05492	3.6
95.08585	7.8
97.02887	50.3
99.04439	44.4
103.03941	82.7
105.07004	7.7
109.02870	22.0
119.08553	5.5
127.03915	100.0
127.04804	7.7
135.08095	5.8
138.87987	4.2
143.11876	4.2
145.04929	49.3
163.06012	35.7
205.07037	9.0
219.13681	5.8
229.12198	5.7
247.13289	11.2
265.14359	29.3
283.15533	5.1
289.09302	8.9
307.10184	7.3
317.89661	6.5
361.93231	5.6
397.75198	4.8
425.91367	4.9
427.16064	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	462.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	25.7
57.07053	14.9
69.03409	41.4
71.31832	10.2
81.07043	17.8
83.08600	18.3
84.57297	11.5
85.02893	33.9
85.72846	14.0
86.09003	10.2
87.04454	19.0
91.71656	18.1
95.08595	25.5
97.02902	29.4
100.07629	13.5
100.11238	100.0
104.78434	11.3
105.07042	16.1
107.08582	17.9
111.04442	16.6
115.03928	30.3
121.10212	15.3
131.08580	18.1
151.07524	16.4
161.06189	11.8
182.15414	21.2
210.14934	32.6
219.13818	19.6
247.13292	39.8
265.14230	23.6
283.15381	28.6
335.14789	29.8
343.30627	15.3
427.15546	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	462.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60299	10.8
61.43327	11.3
67.05485	17.7
67.75336	10.8
69.07043	40.9
70.06580	39.9
72.08113	21.3
73.80868	11.3
76.02220	31.7
81.03400	12.3
83.04974	24.7
84.04504	21.5
85.02925	31.8
86.09699	29.3
91.05497	18.4
94.27974	11.3
105.07051	16.4
107.04914	14.2
111.04453	13.7
113.79488	13.9
116.01699	15.0
119.08610	12.8
120.06645	12.6
128.06175	15.0
130.04942	15.9
143.08527	24.7
161.09642	34.6
179.04895	34.8
189.09158	30.0
201.12712	22.2
207.10182	36.7
213.69847	14.3
219.13785	22.8
229.12169	18.9
235.42450	13.3
247.13324	100.0
250.92699	14.2
265.14407	46.1
292.66702	13.1
300.21640	20.7
308.09314	16.3
355.12665	13.9
462.27332	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	462.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	9.8
56.65621	4.3
60.04514	5.4
69.03427	10.4
70.06526	5.3
70.27576	5.0
72.36549	4.9
81.03402	11.3
81.07033	17.0
83.04959	15.1
85.02892	12.7
86.09676	6.1
91.05482	22.6
93.07050	13.0
95.04964	17.3
95.10281	5.4
97.06526	9.0
99.04429	5.1
99.85224	4.6
105.07030	21.6
107.04965	12.6
109.02874	7.0
109.06534	9.2
117.07050	30.9
119.08567	7.8
121.06490	16.0
123.08088	8.7
131.08563	16.5
133.06499	9.6
133.10144	9.2
137.05994	6.0
145.06517	32.1
145.10107	10.7
149.05992	21.4
151.07567	6.2
159.11633	6.9
167.07042	7.3
173.09647	13.8
174.26414	5.8
183.11659	6.9
189.09056	7.8
201.12743	67.3
219.13824	10.8
229.12263	37.0
247.13248	100.0
265.14319	74.5
268.40347	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	462.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13160	3.9
51.71054	3.5
57.00632	4.1
57.03424	8.3
67.05483	7.1
69.03420	18.9
71.05004	4.7
73.02919	28.7
79.05483	10.3
81.03402	27.0
81.07053	9.8
84.72246	4.7
85.02888	38.4
91.05464	10.1
93.07008	5.2
95.04972	5.0
95.08607	20.1
97.02888	23.3
97.06543	6.4
105.07021	46.0
107.04943	11.6
107.08572	6.8
109.02877	10.5
115.03908	8.9
117.07018	8.4
121.06451	6.7
123.08109	11.6
123.83009	6.1
125.06020	5.4
127.03911	8.2
131.04916	6.8
133.10132	37.7
137.09619	25.5
145.05003	7.7
145.06476	6.9
145.10176	8.1
149.05991	6.9
159.08101	8.2
161.09514	7.2
165.09108	24.8
173.09543	7.3
173.13318	7.3
178.36475	5.9
181.05022	5.4
181.28833	5.1
201.12776	19.4
201.70323	5.1
219.13841	6.5
229.12204	10.3
247.13194	51.7
265.14310	100.0
335.14877	11.9
347.49030	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	462.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	18.4
57.07048	6.8
57.47813	4.8
61.02924	7.4
63.31374	4.1
69.03423	46.8
70.26556	5.2
71.37707	4.9
73.02899	35.7
81.03399	12.8
85.02888	57.5
87.04453	11.2
90.99461	5.0
91.71644	9.7
95.08601	11.6
97.02892	46.1
98.20200	5.3
99.04475	5.9
105.07024	95.0
107.08543	5.2
109.02843	9.2
115.03916	35.5
117.06975	5.7
121.06540	6.6
127.03909	9.6
133.04967	13.1
133.10132	100.0
145.04959	10.2
145.10159	6.3
157.10115	9.5
173.07414	5.4
173.09497	6.6
197.09625	5.5
214.28009	6.3
247.13310	25.0
265.14313	6.1
288.19293	6.4
304.14694	6.4
332.91479	5.9
335.14926	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	462.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	20.1
60.04514	2.7
61.02908	3.0
69.03417	95.3
73.02902	11.3
75.04483	3.9
84.04453	2.5
84.11929	2.9
85.02895	62.9
87.04459	57.7
91.71705	2.4
91.72685	2.4
97.02883	69.8
98.06065	4.6
108.74651	2.3
109.06500	25.1
115.03917	100.0
127.03888	8.1
133.04951	72.9
144.06569	2.9
145.04948	8.6
150.07590	13.9
151.11162	20.7
158.30943	2.8
241.06998	3.3
362.58047	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	462.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96016	1.4
53.03939	2.1
53.15492	1.6
55.01856	2.7
55.05509	3.8
57.03425	3.4
59.04994	11.3
61.02909	2.6
67.05481	4.6
69.03406	11.0
69.07069	1.8
71.04975	2.6
73.02914	2.3
79.05488	12.1
81.03415	26.9
81.07042	8.5
83.04983	15.4
85.02898	34.4
91.05476	15.7
93.07035	10.7
95.04956	14.6
95.08586	3.6
97.02883	10.7
97.06557	4.1
103.05467	2.2
105.07024	17.6
107.04939	8.6
107.08597	3.3
109.02872	8.5
109.06503	4.0
111.08073	3.8
112.65922	1.7
112.86337	1.9
115.05447	5.1
116.43924	1.8
117.07005	22.6
119.08573	14.8
121.06497	12.5
122.07304	2.2
123.04422	2.3
123.08065	3.1
127.03922	6.0
128.06186	14.0
129.06982	6.4
131.04900	2.8
131.08559	23.6
133.06494	5.7
133.10077	12.5
135.08037	7.8
141.07030	2.2
142.07776	3.3
143.08551	25.2
145.05011	4.7
145.06488	23.3
145.10132	6.0
146.07234	4.4
147.08037	17.5
148.04279	1.9
149.05919	8.8
153.06902	3.1
155.08575	4.5
159.08084	10.6
161.09604	100.0
163.07594	3.7
167.07104	3.5
171.08061	9.0
173.05962	2.7
173.09621	4.3
173.13264	2.4
177.09137	2.2
185.08195	2.1
187.07649	2.7
189.09088	52.0
201.12743	32.5
203.10692	2.2
205.08842	2.2
207.10153	95.2
207.79170	1.9
211.11227	3.7
213.09117	2.7
219.13783	42.6
229.12236	24.8
231.10089	3.8
247.13274	83.1
247.15883	4.1
263.79254	1.9
265.14310	28.0
283.15442	7.7
292.36020	2.3
315.12112	2.2
436.57214	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	462.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	7.6
57.07054	6.6
67.05482	8.1
69.03412	4.5
69.07037	3.7
70.06575	4.1
71.66862	2.8
74.99997	3.1
75.70601	2.5
79.05487	14.8
81.03400	21.9
81.07045	14.7
83.04979	36.0
85.02876	3.5
85.06566	4.1
86.09717	6.1
91.05480	29.8
93.07041	12.2
95.04965	9.4
95.08630	5.4
97.02906	4.6
99.30479	4.0
105.07026	14.5
107.04939	26.7
107.08590	7.7
109.02893	4.3
109.06501	16.0
111.04433	4.4
111.08084	6.9
115.05458	6.9
117.07006	24.9
117.15105	4.5
119.04895	6.2
119.08582	13.7
121.06517	19.0
122.07276	5.3
123.08096	6.8
129.07016	8.1
131.08583	19.1
133.06497	8.1
135.08080	14.8
139.07480	5.5
141.06934	5.7
143.08516	6.1
145.06505	25.1
145.10091	5.9
147.08107	9.8
155.08601	4.8
159.08118	8.2
163.07556	13.3
165.09062	4.3
168.09378	5.0
173.05959	7.6
173.13196	4.7
183.11670	7.2
187.07463	4.2
201.12735	31.9
203.02068	4.1
205.08556	5.9
211.11140	4.5
219.13768	8.5
229.12199	23.9
247.13289	100.0
262.72812	4.4
265.14343	88.6
270.42969	4.0
378.54431	4.5
388.67517	4.2
432.98761	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	462.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.8
64.28181	2.5
66.17945	2.3
67.05492	8.3
69.03413	12.3
70.06571	8.7
72.08150	26.0
73.24007	2.8
74.06068	3.2
79.05463	2.8
81.07034	4.4
83.04966	4.4
84.04495	9.4
84.08125	10.9
85.02899	12.2
86.09692	19.2
87.10036	6.1
91.05479	6.8
93.07040	7.2
95.04960	10.2
95.08601	6.2
97.02870	5.5
105.07033	11.5
107.08593	5.2
109.06502	4.9
111.04414	8.2
112.07587	5.1
113.05965	5.8
114.65344	2.9
119.08596	18.7
121.06499	6.4
123.08042	5.1
127.03961	3.0
130.08644	6.3
131.08557	9.7
135.08061	14.8
139.03912	9.4
145.10161	8.2
147.08031	8.2
147.11690	4.2
149.09621	3.8
157.10110	4.2
158.07295	3.8
159.08076	8.0
159.11736	9.3
161.06029	3.5
161.09633	7.4
165.09123	6.8
171.11789	3.5
173.09538	4.3
173.13297	6.2
175.07536	14.1
175.11176	6.2
186.03143	6.4
187.11237	6.3
189.09111	3.4
189.12843	4.4
199.11079	3.5
201.05510	9.0
201.12778	11.2
203.10687	8.2
211.11246	5.6
217.12114	3.5
219.13701	3.2
229.04941	7.2
229.12267	10.4
235.13246	4.3
247.06029	12.4
247.13245	29.1
247.15610	4.0
265.14340	100.0
292.02701	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	462.3216
Annotation	Pf 1163b
Peak:m/z	Relative Intensity
54.22985	5.0
54.51730	5.2
55.05500	21.9
58.06598	6.8
61.02919	6.3
62.06082	16.5
67.05495	18.0
69.07062	15.5
72.04545	4.3
74.06072	15.0
77.70112	5.6
81.07053	26.0
83.08612	10.4
91.05501	8.5
93.07043	8.0
95.08608	19.1
97.10198	5.2
105.07036	6.5
119.04927	28.5
138.48849	5.8
147.04411	93.9
165.05505	16.9
226.98112	6.8
227.35112	6.5
280.26450	30.1
298.27368	100.0
350.77499	6.6
388.53778	6.4
462.32147	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.4
55.05492	7.6
57.03414	3.1
67.05499	15.0
68.22843	2.2
68.99773	2.8
69.07042	8.4
70.06586	39.7
77.89357	2.6
79.05487	6.8
81.07040	9.7
83.08622	2.7
85.02891	4.5
91.05459	4.6
93.03383	3.0
93.07025	6.4
95.04969	16.0
95.08586	12.1
105.07025	35.7
109.06526	4.2
109.10082	4.2
110.06065	6.1
112.07626	5.1
115.05493	3.8
119.04939	2.7
123.08069	2.9
133.06476	12.6
137.05968	3.6
137.12024	2.6
138.05484	20.0
139.03931	3.1
147.04408	5.0
151.07542	9.7
153.02364	2.7
154.08606	11.1
156.06590	6.7
161.05960	5.3
179.07033	18.7
180.06619	3.4
186.18976	3.4
203.83086	2.9
277.00891	3.5
421.23279	4.1
457.17386	3.4
462.35724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
61.03859	3.8
69.03412	4.2
72.26119	4.3
74.73309	4.3
87.64825	4.1
87.78308	4.3
110.90906	4.7
117.36568	4.8
120.89053	4.2
137.05988	8.5
165.45660	4.4
265.39444	5.4
463.09915	100.0
464.10077	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	463.1232
Annotation	6-Methoxykaempferol 3-rhamnoside
Peak:m/z	Relative Intensity
52.67176	1.3
55.05490	1.6
57.03417	5.7
61.90911	1.4
68.87654	1.5
70.06575	6.6
71.04610	3.3
71.04982	54.0
85.02895	41.6
91.02583	1.8
91.71070	2.6
93.03400	1.8
103.47710	1.5
107.04885	1.9
117.21764	1.5
129.05476	7.0
129.94266	1.6
137.96896	1.7
143.45465	1.9
153.01834	7.7
164.53343	1.8
259.58884	1.9
274.04761	2.5
277.95746	1.7
285.03903	5.9
286.04718	1.9
301.07126	3.5
302.04077	8.4
317.06503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.123
Annotation	Kaempferide 3-glucoside
Peak:m/z	Relative Intensity
58.45859	0.3
67.79215	0.3
67.94380	0.3
73.35352	0.8
73.72683	0.3
86.09707	0.3
106.05786	0.3
117.07034	0.6
123.88537	0.4
138.31473	0.4
153.01782	0.5
176.71971	0.3
206.12451	0.3
258.03055	0.2
258.05209	17.0
286.04694	34.3
287.05017	0.4
301.07037	100.0
302.07495	1.6
353.77774	0.4
463.12354	0.7
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-Methoxykaempferol 3-rhamnoside
Peak:m/z	Relative Intensity
51.61892	0.7
51.71187	0.7
53.46491	0.7
56.99571	1.0
57.03422	6.1
62.21523	1.1
66.60445	1.0
71.04613	2.3
71.04981	33.5
73.02892	1.2
75.04481	7.0
85.02890	26.5
92.02621	1.1
93.03387	1.5
105.98925	1.0
129.05489	3.5
153.01845	6.4
163.52304	1.1
175.32993	1.3
229.05014	1.8
246.05182	1.8
257.04367	3.1
271.26398	1.2
273.03912	1.6
274.04730	2.7
285.03915	4.6
302.04211	13.4
317.06519	100.0
318.06885	2.9
385.71875	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	463.1233
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
56.05025	1.0
57.03431	6.7
62.74462	0.6
65.38249	0.5
69.03393	0.8
71.04982	52.6
73.02904	0.9
75.04464	2.1
78.00923	0.7
85.02895	45.8
87.04475	1.2
92.02593	1.6
93.03381	1.1
94.65164	0.6
98.05997	1.1
111.04399	0.7
121.02843	1.5
126.03102	1.1
129.05470	10.3
147.06529	1.3
151.03893	1.5
153.01817	9.6
166.84340	0.8
194.35388	0.8
217.04955	1.0
228.04193	1.3
229.04927	2.9
245.04431	1.6
256.17938	0.8
256.20108	1.4
257.04385	1.4
273.03943	1.8
274.04636	3.1
285.03943	4.2
302.04141	11.1
317.06525	100.0
318.06766	1.6
363.00562	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.157
Annotation	Cryptomisrine
Peak:m/z	Relative Intensity
61.04601	9.7
62.00121	8.6
78.24162	8.6
78.38902	10.5
85.02923	13.7
133.73849	9.9
162.05028	10.3
207.03850	11.6
223.80092	10.5
301.10480	100.0
310.59454	12.6
460.65768	13.3
463.15671	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73444	4.2
85.85059	5.0
87.55109	4.5
91.71609	5.4
95.04888	5.5
168.77116	5.9
177.05470	6.2
244.20000	6.4
258.03937	6.4
278.60135	6.2
313.21277	5.8
317.06589	24.8
331.13577	7.5
364.14658	6.8
463.17722	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1939
Annotation	Aglacin K
Peak:m/z	Relative Intensity
50.67654	7.6
55.05497	10.2
56.12354	9.8
57.03426	9.6
57.29629	7.7
60.04511	23.1
63.46406	8.6
67.05502	25.8
67.67664	8.7
69.07047	16.3
70.06570	22.3
71.04989	14.5
75.72835	9.5
76.02209	15.1
78.24368	9.0
81.07050	36.2
91.05486	11.1
92.28515	9.0
93.07098	13.1
95.08600	30.0
97.30117	9.3
100.79654	9.9
104.66240	11.3
105.07014	9.9
107.08673	12.1
121.10126	18.8
123.38385	11.6
142.23909	12.2
145.88707	11.1
147.04375	11.7
298.27512	43.2
316.28473	21.4
317.06586	12.9
375.03900	12.4
463.19424	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78077	3.3
52.56239	3.5
52.67701	3.7
57.03417	4.3
57.07085	3.7
59.15726	3.1
61.23680	3.2
62.03633	3.8
63.88584	3.5
65.05878	3.3
69.03410	9.3
71.04982	8.4
71.06210	4.2
81.07035	6.3
85.02884	15.1
91.05474	5.6
94.04174	4.4
94.27483	3.9
109.10136	4.9
122.03623	10.9
129.05376	4.3
133.10130	5.2
137.05968	100.0
137.06949	7.6
147.04436	4.5
149.06026	6.1
149.18279	4.1
151.07568	13.3
161.05989	10.4
163.07724	4.3
166.88033	4.3
169.12233	7.4
171.08087	4.3
171.30164	3.8
175.07610	9.0
187.07549	4.1
191.06981	7.1
195.38055	4.4
282.36557	4.6
295.09811	6.0
297.11325	4.8
317.13968	5.1
323.12723	4.9
341.13748	5.1
353.13763	8.1
383.15463	5.1
463.16373	6.1
464.16345	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	463.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	13.9
65.49108	1.9
67.05482	1.9
73.03291	2.0
75.40398	2.1
79.05479	5.5
81.07035	4.5
81.09688	2.1
85.02885	4.4
85.06529	7.9
89.03917	2.2
91.05466	6.3
93.06998	2.6
95.04956	7.7
103.05438	2.7
105.03321	2.4
107.04956	14.4
117.03400	2.3
123.04418	3.3
129.06984	3.0
135.04408	21.5
137.05928	3.2
137.09605	3.2
138.03114	6.1
139.03795	2.3
141.05449	4.8
145.02806	2.4
149.05977	6.1
153.05460	100.0
163.03883	51.5
167.07123	2.3
177.05420	10.4
195.06523	25.6
203.06940	3.2
213.07529	14.4
227.07094	2.4
269.42871	2.1
287.12781	2.6
298.32117	2.6
333.17343	2.5
356.72324	2.2
397.20389	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	463.2324
Annotation	7-Acetoxybonducellpin C
Peak:m/z	Relative Intensity
52.47108	1.7
54.35409	1.7
56.73005	1.7
56.93610	1.6
57.07062	15.8
57.41311	1.9
59.29993	1.6
79.05479	6.2
81.07035	3.2
83.08627	2.2
85.06542	8.1
89.03939	2.8
91.05459	7.5
91.71048	1.8
91.95551	2.1
94.53838	2.1
95.04970	7.4
100.38464	2.4
105.07018	3.1
107.04945	16.4
110.91400	2.2
116.15363	2.1
121.06438	3.8
128.06172	2.3
133.02870	3.6
135.04411	18.3
137.09621	5.2
138.03137	6.7
145.02806	5.3
147.04387	3.2
149.06012	5.7
153.05466	100.0
154.09013	2.2
158.69174	2.3
159.08153	2.2
160.41640	2.3
163.03886	44.8
163.05170	3.5
167.07056	3.5
177.05499	6.4
180.93874	2.6
189.12694	2.9
195.06514	27.8
197.05939	2.4
203.07088	2.9
213.07518	17.9
215.14247	2.8
227.07033	2.4
255.10251	3.1
261.82187	2.7
269.11765	2.4
301.14548	2.9
341.52454	2.3
361.46762	2.4
370.44568	2.4
379.19034	3.3
388.88071	2.6
397.19907	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	463.2476
Annotation	Mulberrofuran X
Peak:m/z	Relative Intensity
55.05508	17.1
67.05207	3.4
67.05494	32.9
69.07055	20.3
79.05492	8.7
81.07044	28.5
83.08617	7.0
91.05464	4.4
91.71729	4.1
93.07030	5.6
95.08600	20.3
97.10226	3.8
101.42914	2.9
109.10169	8.9
109.61185	3.1
123.76662	3.9
130.18492	3.9
135.11713	5.2
160.61726	3.7
207.08086	6.1
221.06018	12.9
222.06703	4.7
223.07545	9.1
225.05508	14.3
233.06044	7.3
234.06819	7.3
235.07616	15.6
237.09082	7.9
239.07173	6.1
241.05069	14.1
249.05498	9.4
249.09195	4.9
251.03406	4.8
251.06944	8.3
253.05098	6.7
255.06537	7.4
263.07053	11.3
265.05374	4.3
265.08597	15.6
267.06604	7.5
269.04428	9.1
275.10608	5.9
277.08606	5.3
279.06589	9.2
279.09998	7.9
281.08179	16.0
289.08505	3.9
291.06689	4.1
291.10236	5.2
293.08234	4.9
295.06192	4.2
295.09644	5.2
319.09784	4.7
329.15536	3.7
402.39676	3.8
427.22565	7.1
442.33948	4.1
445.23663	30.9
463.24747	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	463.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53029	5.2
52.81503	4.9
57.06806	7.5
57.07066	100.0
67.05482	8.3
69.07066	5.6
70.48599	6.0
71.55138	5.0
81.07045	12.7
83.04978	6.4
85.06525	27.6
91.05493	9.1
93.07017	6.9
95.08601	9.9
102.49004	6.2
105.07014	11.5
109.06554	6.3
121.06495	10.7
133.35362	7.0
135.04417	6.7
151.11203	8.5
229.12251	24.7
267.13733	9.1
277.12506	6.9
373.93906	7.4
463.09814	12.8
463.24988	28.4
476.76486	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	463.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51312	5.3
54.31174	5.5
55.05507	7.0
56.87164	5.5
57.07061	57.1
67.05496	13.2
68.26304	5.7
69.07069	7.0
76.75316	5.5
79.05490	15.2
81.07053	19.2
81.21333	6.6
85.06517	20.9
90.39536	7.0
91.05458	21.0
93.07024	31.0
95.04903	8.6
95.08601	21.2
105.07030	38.5
107.08569	35.3
109.10134	16.2
119.08583	21.6
121.10193	11.1
129.07063	8.9
131.08633	7.5
133.10098	12.2
135.11661	8.9
137.05899	7.9
137.09639	8.7
143.08505	7.9
152.82518	7.1
157.10060	9.9
161.05954	100.0
197.09691	6.6
239.14368	8.0
245.11604	7.7
257.11597	7.6
267.13742	15.0
285.14798	14.7
297.15030	10.7
342.86450	6.5
374.83182	8.3
445.27563	20.8
463.28351	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70389	6.3
57.07066	93.0
71.22132	7.5
79.05515	9.5
81.06604	7.7
81.07070	20.4
85.06567	32.5
91.05471	41.5
91.71671	11.3
93.07034	100.0
95.04999	21.3
95.08667	11.5
100.96813	9.5
105.07069	16.0
106.75877	8.8
107.04966	7.5
114.07402	14.2
114.76041	7.8
125.09609	12.1
129.07118	10.5
131.08624	33.1
137.09679	13.8
138.68513	8.0
141.07030	8.7
145.10175	11.1
173.09613	19.1
185.09793	13.6
187.11234	12.8
201.12828	9.4
216.15111	11.6
223.06424	17.3
225.04356	32.8
227.14207	53.3
229.12332	14.4
299.06259	17.8
322.48004	10.2
343.44382	8.8
344.73965	11.0
355.06912	9.4
361.21582	12.0
463.09836	11.6
463.28629	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	463.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84938	8.2
53.91869	9.1
57.07061	100.0
62.14778	10.2
66.54146	11.0
80.83789	10.3
81.07101	13.6
83.51112	11.0
85.06543	22.0
86.34956	11.6
88.52603	13.0
91.05491	19.7
93.07053	12.2
95.27917	10.3
105.07081	31.4
119.04902	17.8
137.09679	15.4
141.51335	12.9
143.08652	13.9
147.08014	14.5
160.75597	12.3
181.10596	11.6
202.19318	12.3
203.77341	12.4
210.65924	12.1
361.21744	18.5
439.22681	14.1
445.27365	41.0
463.29813	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91674	3.9
52.34919	3.9
55.05511	7.7
57.07066	100.0
57.07312	6.6
65.03929	4.8
65.19126	4.6
67.05503	15.1
69.03403	4.3
69.07061	9.8
70.89623	4.5
79.05518	11.6
81.07056	30.2
83.01350	6.7
83.04993	6.6
85.06531	31.9
90.69373	5.4
91.05507	25.1
91.71101	7.6
93.07030	30.2
95.04999	11.9
95.08636	19.3
99.99155	5.7
105.07024	41.5
107.08582	28.7
109.06580	7.6
109.10203	21.5
117.83784	4.9
119.04985	17.4
119.08601	14.9
121.10153	8.1
125.09678	9.3
129.07050	8.4
131.08583	12.0
133.10132	8.3
135.11745	10.1
137.09676	9.1
141.06995	6.8
143.08578	6.6
145.06537	7.8
145.10175	15.3
151.07611	16.5
155.08557	7.5
157.10094	9.4
159.11752	9.2
168.62604	5.9
170.37157	5.8
171.08144	13.2
183.11684	6.3
197.09576	6.5
201.16420	6.6
202.63542	5.9
233.11707	8.5
246.62541	5.8
257.11819	20.3
347.73376	6.2
361.21487	13.5
363.20248	8.0
379.22998	8.6
381.20715	13.4
445.27423	21.4
463.28418	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.284
Annotation	Kazinol E
Peak:m/z	Relative Intensity
53.03964	3.5
57.07067	80.2
64.12472	3.1
67.05501	5.0
69.66395	3.3
79.05513	3.9
81.07060	13.9
85.06532	40.8
91.05515	8.5
94.04223	5.1
94.49489	3.9
95.04971	10.8
104.97905	3.5
105.07034	9.5
109.06507	100.0
117.14634	5.2
121.06528	14.6
135.08101	7.9
135.52150	4.1
137.09666	9.8
147.08093	12.3
170.07141	5.4
185.09642	4.8
187.11211	6.7
201.12788	9.9
203.14389	6.9
211.11101	5.4
213.09050	9.3
229.15930	9.9
231.13826	6.1
243.13986	6.5
245.15324	9.8
271.16800	5.5
341.56561	5.5
355.22833	15.1
361.21786	14.3
363.19382	6.0
379.22729	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	463.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93787	6.7
50.98655	8.1
55.05513	7.1
57.07070	100.0
60.09931	6.4
67.05489	10.6
68.63481	6.8
69.07059	25.5
71.22083	7.5
72.30894	7.2
74.31718	8.1
74.44031	8.8
75.40961	8.3
79.05473	17.2
81.07045	11.8
83.04977	16.1
85.06529	37.9
85.28062	7.6
91.05470	31.8
93.07014	9.3
95.04955	9.0
95.08640	7.6
97.54401	8.6
99.21999	7.6
104.72513	10.1
105.07007	11.0
119.04909	16.1
125.09657	16.6
129.06987	16.4
137.09642	23.9
143.08640	8.5
147.08025	11.2
151.11188	13.4
152.47646	10.9
154.66322	9.4
155.08649	12.9
163.11206	11.7
164.12231	8.7
177.76100	10.3
181.10173	10.1
185.07596	9.6
187.11134	16.5
193.10182	11.2
203.10695	12.1
235.82634	9.0
259.79471	9.9
301.80026	11.3
361.21658	33.5
445.27478	62.4
463.28659	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	463.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27300	6.1
57.07057	24.7
71.16374	6.6
83.04921	9.2
83.24258	7.0
85.06532	15.7
91.05467	94.7
92.13762	7.1
93.06978	11.4
105.06998	12.7
119.04920	21.5
119.08507	10.6
127.96451	6.9
156.97098	6.8
187.11195	18.7
203.10655	100.0
205.12210	17.0
224.61971	8.2
265.79935	8.0
292.45880	9.8
300.53534	8.4
445.27429	14.5
463.24628	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	463.3029
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.55645	6.6
57.07060	16.3
59.52234	4.9
71.26716	5.9
72.48231	6.0
75.15657	5.5
81.07014	5.9
88.26211	6.1
91.05447	8.8
124.14983	6.2
230.89151	7.4
240.61378	6.4
263.57266	7.1
291.49631	7.8
390.55081	7.0
421.06830	7.8
463.30264	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	24.5
57.67423	5.1
61.16407	6.3
67.05492	70.1
69.07056	23.8
71.04986	10.1
79.05495	37.5
81.03458	6.1
81.07053	79.5
83.08606	9.4
91.05470	79.6
93.07020	56.9
95.04924	10.0
95.08591	53.8
102.45563	6.3
105.07045	71.1
107.08581	25.2
109.06466	7.3
109.10181	10.9
117.07030	35.3
117.84971	5.9
119.08605	35.0
121.10195	17.1
129.06970	13.3
131.08557	51.2
133.10127	36.9
143.08582	26.8
145.10172	25.8
157.10124	12.1
159.11685	9.5
169.10091	8.8
171.11630	7.9
175.11351	7.1
177.05469	18.1
181.10043	7.0
185.36186	7.7
343.26440	12.1
353.24652	18.8
371.25705	35.6
389.27087	26.2
445.29568	100.0
463.30539	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17723	4.8
55.01868	8.4
55.05496	28.1
57.03421	9.8
62.06603	5.5
67.05495	89.9
67.05843	9.9
69.07049	24.4
69.80659	5.6
73.24106	5.1
79.05482	58.8
81.07048	100.0
83.08604	9.7
89.03915	12.6
91.05478	91.4
93.07028	73.8
95.04965	13.4
95.08591	64.4
97.06499	7.1
97.10126	7.6
101.24923	6.0
103.05444	6.3
104.44740	5.4
105.07035	75.1
105.53002	5.6
107.04950	6.1
107.08595	35.8
109.06487	7.1
109.10129	26.2
115.05468	6.0
117.07042	31.6
119.08578	47.4
120.75304	6.0
121.10147	30.7
123.08052	6.6
129.06969	31.0
131.08565	76.6
133.10081	34.1
135.08101	8.3
135.11722	17.1
135.15091	5.8
139.43687	6.7
141.06992	10.6
143.08574	22.4
145.02831	23.1
145.06503	11.0
145.10147	28.7
147.08080	7.9
147.11694	8.3
149.09619	12.2
155.08566	12.6
157.10126	16.9
159.11722	15.8
169.10046	13.8
171.11604	7.7
173.13139	8.5
177.05473	88.4
185.13248	11.7
186.05551	17.9
195.06540	17.3
197.13298	9.6
215.18039	6.7
247.32433	7.0
251.20174	12.2
325.25439	7.2
335.23557	9.5
343.26389	8.8
353.24734	29.2
359.89108	6.8
371.25757	33.1
373.94119	6.8
389.26920	45.1
445.29422	70.9
463.30551	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	10.0
55.05515	18.7
57.07056	6.8
65.03935	5.5
67.05495	43.8
68.78771	4.7
68.99787	5.4
69.03415	4.9
69.07064	26.9
75.35365	4.4
77.13241	5.5
79.05511	22.2
81.07050	38.6
83.08622	14.5
91.05471	25.0
91.71021	10.8
93.07076	16.3
95.04984	24.0
95.08590	35.0
97.06549	10.2
98.84606	4.5
105.07059	12.9
107.08596	83.4
107.09256	7.0
109.06574	8.7
109.10200	14.9
111.04419	5.0
111.31084	5.2
117.07046	6.8
121.02856	31.6
121.10165	6.3
123.11790	6.5
125.06083	6.3
127.03944	15.5
133.10239	5.5
135.08047	37.3
137.09685	5.2
139.03900	100.0
149.13255	5.5
151.03976	11.7
163.07642	12.6
181.08569	55.1
361.64221	7.2
401.30322	35.8
419.31445	45.6
445.33160	15.2
463.34082	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3415
Annotation	Stoloniferone T
Peak:m/z	Relative Intensity
51.65333	2.9
55.01860	9.9
55.05246	2.4
55.05496	14.8
57.07067	6.9
62.94884	3.0
65.03907	8.0
67.05493	43.7
67.41844	3.3
69.07053	27.8
73.83750	3.0
79.05491	20.3
81.07046	32.6
83.08602	14.3
85.02902	5.8
91.05492	12.3
91.71684	7.5
93.07037	11.2
95.04946	20.7
95.08600	35.4
97.06532	8.9
97.10170	7.7
105.07028	11.5
107.08582	68.1
109.06510	8.3
109.10158	17.1
111.04442	4.6
115.05457	7.9
117.07030	10.5
119.08574	5.0
121.02848	30.8
121.10114	4.0
123.11727	5.3
127.03879	9.1
128.04251	3.8
133.10175	5.3
135.08028	40.5
137.09633	6.4
139.03894	100.0
141.05489	5.1
151.03891	12.3
163.07556	12.1
175.14720	4.9
181.08583	53.4
225.11290	7.4
401.30505	35.8
419.31540	43.5
445.32745	22.4
463.34070	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18640	4.3
53.44318	4.7
57.07058	28.6
81.04533	5.8
81.82437	4.5
85.02903	8.7
95.06071	28.8
105.07060	6.2
110.07160	21.0
122.07124	9.2
130.60320	5.1
137.05995	18.0
143.15968	5.0
166.06036	5.3
169.12105	7.9
175.07523	6.4
189.21529	5.1
235.39714	5.7
245.80568	5.3
400.14810	9.9
402.16635	24.4
418.16031	19.4
446.15234	11.0
464.16614	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	27.3
64.10041	2.2
66.04606	2.1
78.15408	2.3
81.04541	9.7
84.04505	4.0
85.77581	2.7
95.06068	26.0
99.48118	2.6
109.06398	7.6
110.07146	22.0
111.05610	3.9
136.05090	2.9
139.04012	3.3
148.08757	2.4
151.03877	4.2
156.07547	3.1
172.08769	5.5
175.07449	4.8
175.91426	2.5
200.08228	12.7
210.75821	2.5
218.09279	7.6
241.85735	2.6
246.08679	27.2
312.17032	3.1
330.18277	3.1
358.17477	5.5
402.16595	13.6
418.16040	4.3
419.68735	3.2
446.15601	4.3
464.16586	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
54.20866	3.3
55.01842	10.1
56.29918	2.9
57.03419	7.7
61.02912	5.4
66.93658	3.4
68.99765	3.2
69.03418	42.3
70.06575	14.8
71.05010	5.1
72.08154	7.9
73.02903	4.5
76.02215	7.2
80.10393	3.3
81.03398	31.0
84.04486	7.3
84.08133	7.7
85.02895	100.0
86.09707	8.0
87.00816	25.0
89.08842	4.3
91.05452	4.5
93.07025	8.8
97.02893	30.9
99.04449	14.0
99.65562	3.2
100.68336	3.4
105.01860	34.5
107.04935	5.5
109.02882	29.1
111.04411	4.9
114.94253	3.6
120.08070	5.8
121.06516	4.5
123.04405	7.4
123.69992	3.7
127.03915	42.0
137.05966	66.2
139.07516	7.5
145.04967	15.1
147.04349	4.2
151.07523	12.7
159.02864	8.7
163.03816	5.0
163.07542	8.3
175.07541	18.4
175.97609	3.9
181.08589	8.7
189.03963	5.3
191.07002	7.5
205.08594	6.3
223.09662	11.0
229.08498	7.5
231.04997	8.0
247.09639	4.3
265.10748	7.4
289.10745	14.4
305.51236	4.2
307.11761	8.6
444.22614	4.2
484.01489	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	464.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24161	1.9
57.03429	11.2
58.00296	1.6
58.76336	1.6
66.11435	1.6
69.03410	5.9
71.04980	90.6
73.02923	3.2
75.04467	6.0
83.04969	9.2
85.02892	100.0
85.44907	2.1
86.06066	4.2
87.04436	2.6
88.25299	1.7
93.07028	2.8
95.04950	2.0
97.02887	7.4
98.06047	2.8
99.04411	3.4
105.07062	2.4
107.04960	9.0
109.02873	2.4
111.04429	4.7
115.03906	2.3
127.03901	3.0
129.05460	36.2
135.08047	11.3
139.07542	28.4
141.55774	2.1
147.06505	13.8
151.07556	6.4
164.09140	4.8
188.09317	2.6
201.50827	2.0
205.08621	3.1
230.89587	2.2
231.13814	3.3
408.61661	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	464.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55125	2.0
55.05499	2.8
56.05026	8.7
58.13994	2.1
60.22756	2.6
64.70179	2.4
66.79820	2.3
69.86585	2.4
70.06566	8.7
72.08144	7.3
73.06550	8.7
74.06087	3.1
79.05498	3.4
81.03409	2.4
82.06599	3.2
83.04978	15.2
83.06083	8.0
83.65696	2.3
84.04496	92.3
84.08141	3.4
85.02882	8.1
86.06061	40.1
86.09698	9.3
91.05478	8.6
93.07030	14.0
95.04927	3.4
97.02883	4.4
101.07134	100.0
102.94202	2.3
105.07030	16.8
114.05519	57.3
119.08582	4.9
120.08095	64.1
121.06516	5.2
123.04450	5.0
129.10185	2.6
131.08199	12.5
133.10139	2.6
137.05974	7.4
139.03908	13.9
139.07536	8.4
149.05952	4.8
151.03920	9.3
165.05495	6.9
171.26695	3.1
177.05476	10.6
186.09163	5.6
214.11751	6.1
215.07004	3.8
223.10773	5.7
230.12871	7.3
231.11298	10.0
233.07857	6.2
242.11314	42.7
249.11211	3.4
249.14874	5.4
250.10692	8.3
259.10785	4.1
267.12280	6.2
267.15796	3.0
285.13354	12.3
287.72427	3.0
296.11243	32.4
303.04971	8.4
338.50940	3.2
404.94910	3.3
464.15405	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.7
57.03401	1.0
58.06581	6.0
68.40199	1.3
69.03423	6.9
79.05466	2.9
81.03404	1.6
85.02895	10.1
91.05471	1.6
97.02888	3.9
103.05456	2.7
105.07022	19.0
115.05454	1.4
121.06499	2.4
122.03633	3.5
124.52860	1.4
133.06483	27.9
135.08040	5.2
137.05969	100.0
151.07515	16.2
174.09232	1.4
178.12227	1.9
179.06993	3.2
197.09663	2.3
257.11713	17.3
261.88168	1.5
302.17526	11.1
464.22717	63.5
464.29395	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	464.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57090	8.5
57.03423	24.5
57.07046	22.2
59.04996	10.9
59.74807	8.3
66.64169	9.4
69.03421	87.4
69.07053	8.8
74.05556	10.7
79.05454	14.4
81.07044	11.3
85.02901	88.3
87.04460	62.7
91.05483	13.1
93.07023	40.7
97.02882	100.0
107.08590	30.3
109.10155	24.5
115.03930	95.8
127.03924	18.2
133.04974	69.2
135.11684	39.3
141.99791	10.7
145.04884	18.2
149.09601	24.1
150.07600	17.1
163.11288	13.3
185.09711	15.4
189.23698	14.1
198.10669	12.7
213.08997	14.4
225.12810	11.9
255.13875	42.6
255.17383	26.8
285.18784	13.2
295.16812	21.3
309.53903	15.0
331.18890	14.1
430.41086	13.5
435.77759	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	464.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	6.7
57.03427	5.0
59.04993	15.0
63.33795	4.1
65.66228	4.0
67.05492	11.3
69.03414	10.5
70.06583	45.1
70.61037	5.1
71.46716	4.1
72.08141	12.0
72.37188	4.8
74.06056	5.8
75.42509	4.5
76.02198	4.5
79.76720	5.5
81.03399	5.1
81.07050	14.1
83.04967	5.2
84.04491	7.9
84.08127	11.1
85.02905	30.1
86.09691	19.3
87.87989	5.3
91.05471	14.0
93.07047	7.5
95.08554	4.5
97.02908	9.5
97.87568	5.0
105.07022	9.8
107.08513	6.6
107.73038	5.4
109.06529	10.2
116.23703	4.2
119.08572	9.9
120.08103	15.0
121.06505	8.4
129.07034	7.0
131.08627	8.5
133.10107	6.5
136.07570	6.3
145.04959	5.1
145.10078	6.5
147.08047	8.4
147.84694	5.7
149.09683	9.8
157.09999	6.2
161.09604	7.4
173.09593	13.6
175.11153	7.8
191.10696	21.9
203.14339	6.4
203.59656	5.3
209.11775	10.5
231.13754	54.1
249.14819	100.0
249.17288	9.0
267.15897	57.3
285.13330	9.0
302.52719	5.9
338.23657	6.0
371.17062	6.1
438.55814	5.9
464.24722	6.3
465.17490	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	464.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70192	2.3
55.05498	4.7
57.03418	3.9
59.04996	5.9
61.02919	3.8
61.13824	2.5
67.05482	8.7
69.03419	11.1
71.04987	10.0
79.05486	3.6
79.19902	2.7
79.88682	2.7
81.03407	5.7
81.07049	26.2
83.04968	11.6
85.02893	48.1
85.06526	12.4
91.05473	8.9
93.07039	8.6
95.04967	23.5
95.08573	4.4
97.02897	12.1
105.07035	11.1
107.04936	4.4
107.08588	6.4
109.02895	8.8
109.06529	13.5
113.05997	7.1
119.08568	10.9
121.06493	6.9
121.10121	4.9
123.04406	5.9
123.08039	8.4
127.03895	9.1
129.07045	7.0
131.08549	11.5
133.06519	8.5
135.08017	5.6
138.06766	2.8
141.58252	3.3
143.34178	3.3
145.04958	10.6
145.10141	11.4
147.08109	9.9
149.09654	10.7
151.07573	3.8
153.59569	2.9
161.09625	6.2
163.11171	14.1
173.09723	4.6
191.10654	31.2
193.08638	5.1
203.14380	8.1
209.11702	87.6
221.15431	2.9
221.43985	3.5
231.13866	13.0
249.14828	100.0
267.15863	56.3
301.11996	8.6
312.83109	4.5
317.06467	6.6
318.06818	4.4
411.20114	7.6
464.18463	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	464.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	14.3
69.03413	26.1
81.07054	22.0
83.04965	22.7
85.02879	40.2
85.06496	13.9
89.46133	11.8
90.76779	11.4
91.05437	18.8
93.07022	37.1
94.76370	11.7
95.04991	44.5
97.06535	20.2
103.05474	37.7
105.07035	33.1
107.08569	32.0
109.06502	22.0
109.10170	16.5
111.04468	33.0
111.08091	13.8
112.37145	14.5
114.85496	12.9
119.08555	49.9
120.94353	12.8
121.10177	37.2
131.04922	98.9
133.10146	49.3
135.08040	38.9
137.06030	13.0
145.10068	21.9
149.09653	38.6
161.09550	17.5
163.07530	40.2
175.07576	19.8
184.71957	13.4
185.13301	17.3
198.33923	14.2
200.82484	16.4
209.11751	24.3
213.12735	17.4
227.12834	38.3
231.13875	54.8
249.14803	100.0
267.15878	56.6
275.35214	14.5
349.53827	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	464.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22066	3.2
55.01824	3.8
55.05496	5.8
57.07064	5.1
63.82857	3.2
67.05492	7.4
69.03429	3.8
71.04980	4.2
72.08150	4.5
79.05482	4.4
81.07047	26.8
83.04951	7.6
85.02888	6.0
85.06544	10.7
88.10612	3.7
91.05475	9.9
93.07043	12.7
95.04962	10.0
95.08594	14.8
105.07056	7.8
109.06504	10.2
117.84777	4.8
119.08588	22.3
121.06510	13.2
123.08051	13.7
129.06985	6.8
131.08528	5.6
133.10098	5.2
135.08110	7.6
137.05968	6.0
143.08565	8.9
147.08040	16.8
151.07564	7.7
175.07494	6.0
185.13303	5.4
203.14337	17.9
213.12697	7.5
224.96976	4.2
231.13745	23.0
246.60408	4.4
249.14828	100.0
263.26733	4.7
267.15918	81.6
285.17200	4.0
303.05167	4.6
379.19928	4.4
399.44788	4.4
400.03891	5.4
413.03278	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	464.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80536	1.5
54.95025	1.6
56.99125	1.9
57.03421	3.8
57.07056	3.6
69.03416	16.6
78.01313	1.9
79.05473	10.1
85.02905	8.4
85.34847	1.9
87.04469	11.5
91.05472	7.0
93.07030	64.0
95.04935	2.9
97.02877	9.2
105.06992	2.6
107.07853	3.1
107.08585	65.3
107.09272	4.6
109.10140	2.2
109.70490	2.2
111.47884	2.1
115.03938	12.7
119.18381	2.1
133.04961	9.4
135.11685	100.0
151.39688	1.9
248.69427	2.4
313.60669	2.4
334.64529	2.1
391.73367	2.5
475.22787	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	464.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69437	1.1
67.05497	22.0
69.07032	1.8
79.05474	5.3
81.07043	17.7
83.08575	2.1
89.03905	6.0
91.05461	1.9
93.07036	8.4
95.08592	22.3
107.08586	5.9
109.10147	7.1
117.03364	13.9
121.10153	19.9
135.11688	23.0
145.02835	30.7
147.04344	1.9
149.05983	6.6
149.13274	2.7
158.06004	4.6
162.58130	2.0
163.03885	3.7
177.05452	100.0
186.05447	11.1
190.94171	1.9
191.36729	2.0
195.06482	19.7
211.57547	1.8
217.19618	2.2
235.20474	12.7
253.21588	3.1
320.15146	2.0
328.19846	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	464.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.7
58.70914	4.3
61.18610	5.1
67.05494	60.2
69.07081	12.6
76.01945	4.8
79.05496	11.4
81.07047	65.0
83.08641	12.5
84.73273	4.6
91.05505	16.8
93.07066	23.5
93.77108	4.8
95.08598	54.4
97.06552	5.3
97.10197	8.1
107.08636	19.7
109.10147	31.6
111.08093	4.7
111.62542	5.2
119.00546	5.3
119.04955	28.2
121.10111	28.3
123.11736	10.5
131.08647	6.4
133.10159	14.0
134.92137	5.0
135.11726	20.4
137.09657	6.9
137.13293	7.9
145.02876	11.3
145.10219	5.5
147.04413	100.0
147.05475	5.3
149.13295	10.3
165.05486	7.6
167.36060	5.5
177.05478	35.6
186.05547	7.5
195.06595	6.5
215.18054	19.1
233.19067	14.4
248.89851	6.7
251.19983	34.9
265.21539	8.7
283.22772	11.4
339.11407	6.0
377.11325	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	465.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
64.30260	3.5
67.05484	4.9
69.03401	5.0
81.07043	8.2
85.02946	3.3
91.05438	3.8
93.07033	7.0
95.08596	6.3
98.41366	3.3
107.08585	6.6
115.03887	4.1
115.72266	3.1
121.10104	5.5
128.72852	3.2
133.05000	4.8
135.52539	3.3
137.02338	35.0
147.04428	5.0
181.06462	3.7
210.06741	7.7
220.05373	7.8
221.06013	9.6
222.06514	3.9
237.05594	6.9
238.06264	12.5
239.07008	5.2
249.05516	8.5
265.04922	13.5
266.05667	25.3
268.07397	6.1
270.11008	4.1
275.20071	3.8
277.04837	7.1
286.87985	3.8
293.04388	11.1
294.05170	55.0
295.05975	9.6
309.03799	5.2
311.05536	9.9
312.06226	100.0
400.81476	4.2
425.14569	4.2
429.05688	6.0
429.19299	5.2
447.07285	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	465.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34658	1.7
55.71863	1.7
60.80055	1.8
64.24889	2.3
70.10899	2.0
75.04160	2.1
93.07022	3.6
107.06235	1.9
107.08553	1.9
135.11755	3.1
137.02318	7.0
192.05608	2.5
210.06805	6.1
220.05215	3.4
221.05962	5.9
237.05440	6.8
238.06215	14.8
239.07043	4.8
243.91832	2.5
248.04631	5.4
249.05389	4.0
265.04950	7.2
266.05682	20.9
293.04352	10.9
294.05173	100.0
295.06003	6.5
303.12042	10.1
309.04034	3.3
312.06265	51.4
330.03500	2.4
425.14645	2.7
465.17029	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	465.1029
Annotation	Quercetin 4'-galactoside
Peak:m/z	Relative Intensity
51.58095	0.9
55.01856	3.1
56.96553	2.4
57.03427	1.7
57.54604	1.0
61.02912	1.7
67.05494	2.5
69.03420	6.7
70.06575	4.9
71.04984	2.8
71.29115	1.2
72.08156	6.1
81.03397	3.3
81.07018	1.8
84.04490	2.8
84.08134	2.3
85.02898	18.6
86.09707	11.0
91.05467	3.0
93.01008	1.2
93.07025	2.8
95.04945	2.0
97.02885	5.0
99.04498	1.1
102.05556	1.7
105.07043	1.7
109.02894	2.3
111.00880	1.2
119.08604	1.6
120.08111	6.3
121.02817	1.6
121.10140	1.2
126.87403	1.3
127.03918	3.5
135.08066	1.2
137.02321	4.6
145.04950	3.5
153.01842	4.2
159.19832	1.3
168.14749	1.2
191.10545	1.3
201.05449	1.9
203.06075	2.0
226.07498	1.8
229.04961	3.4
249.09155	1.7
249.14879	3.3
257.04507	1.9
267.15921	3.5
295.88495	1.3
302.29077	1.3
303.04953	100.0
319.04443	3.6
338.08081	1.5
412.03027	1.4
442.10388	1.9
450.37811	1.9
465.11829	3.7
465.17532	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	465.1027
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.21952	0.5
51.34879	0.5
53.03926	0.7
55.01854	1.0
57.03416	1.9
61.02906	1.6
64.85191	0.6
68.99778	1.0
69.03425	6.4
70.73611	0.5
71.04972	1.2
72.08139	0.9
72.38003	0.5
73.02904	0.7
81.03424	3.4
85.02901	19.6
86.03285	0.6
86.09658	0.7
87.04462	0.9
91.03928	0.7
91.71776	0.5
95.04955	1.1
97.02892	5.7
99.04418	1.2
109.02860	1.9
111.00774	1.2
117.21159	0.5
119.36812	0.7
121.02863	1.3
127.03890	2.6
131.04916	0.9
137.02338	4.7
145.04948	2.4
153.01814	4.8
163.03831	1.0
165.01817	2.5
179.81973	0.6
183.02908	1.0
183.04445	0.6
189.89505	0.6
201.05473	2.1
222.04913	0.6
227.12791	0.9
229.04962	5.2
247.06013	1.0
257.04416	3.0
257.77612	0.7
267.16016	1.8
268.16196	0.9
285.03699	0.9
285.16754	0.7
292.70813	0.6
303.04965	100.0
304.05258	1.8
372.34082	0.7
382.10681	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.8
55.01852	1.4
57.03423	1.1
58.57084	0.5
61.02914	2.9
65.03935	0.7
68.99781	0.8
69.03419	7.0
71.04947	1.0
73.02899	0.6
81.03404	3.9
81.03797	0.6
83.01333	0.7
85.02891	19.5
86.09715	1.2
87.04448	0.9
91.03908	0.9
95.04940	0.9
97.02879	6.3
99.04430	0.9
109.02866	2.7
111.00785	2.3
120.08061	0.7
121.02861	1.4
127.03900	3.5
133.73776	0.7
137.02347	5.3
145.04935	1.2
151.47282	0.5
153.01828	6.9
163.03838	1.1
165.01837	3.3
173.05952	0.7
183.02879	1.1
183.04445	0.9
195.10056	0.6
201.05455	2.3
228.07590	0.6
229.02884	0.9
229.04893	5.2
257.04507	3.1
258.27902	0.7
274.04709	1.2
285.03961	1.5
303.04947	100.0
304.05319	2.3
332.38617	0.8
439.21585	0.7
469.31021	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1026
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03928	1.0
55.01844	1.3
55.62142	0.5
57.03402	1.6
61.02898	1.7
68.99767	1.1
69.03415	6.3
71.04980	1.0
71.23590	0.5
73.02927	0.7
79.32598	0.5
80.25292	0.5
81.03399	2.9
85.02894	16.1
87.04436	0.7
91.03941	0.8
96.58228	0.5
97.02877	6.2
99.04422	1.0
100.37325	0.6
102.48130	0.5
109.02866	1.8
111.00787	0.6
121.02854	1.3
127.03897	2.3
137.02328	4.8
145.04932	1.9
145.06415	0.6
149.02345	0.8
153.01822	6.3
165.01805	2.0
170.46837	0.6
173.05861	0.6
183.02940	0.7
183.04417	0.7
201.05429	1.8
229.04909	4.8
247.06128	0.8
257.04425	2.9
274.04657	1.2
278.22705	0.6
285.03967	1.8
289.15549	0.6
303.04947	100.0
304.05215	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	465.1026
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.01167	0.8
52.07758	0.8
56.05030	0.8
58.27012	0.8
65.03947	1.1
70.06599	5.6
72.08132	3.5
83.16051	0.8
84.04503	1.8
84.08127	1.5
85.02897	1.8
85.56007	1.0
86.09686	3.8
90.11185	0.9
91.71617	1.4
95.04989	1.2
97.02911	1.2
103.05437	1.7
107.38457	1.0
111.00837	2.3
120.08175	1.6
121.02862	1.7
123.04409	9.8
125.36446	0.9
127.03932	1.9
131.04926	3.7
135.04396	2.1
137.02351	4.6
139.03923	2.8
151.03946	1.8
153.01808	6.2
163.03914	3.3
165.01857	2.2
177.01837	1.2
179.03296	1.2
183.02972	1.7
183.04460	1.0
201.05519	2.5
219.02898	1.6
223.02451	1.3
229.05000	5.8
257.04416	2.9
271.05994	1.7
285.04071	1.7
303.04953	100.0
465.11084	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	465.1026
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.63082	0.7
58.04155	0.7
67.05492	0.9
70.06580	2.5
72.08146	1.5
79.05425	0.9
83.52065	0.8
84.04492	1.5
84.08140	3.2
85.02889	1.6
86.09694	2.6
86.31701	0.9
91.05439	1.6
96.33219	0.8
100.72582	0.9
109.02909	0.9
111.00847	1.4
119.05026	1.0
120.08111	2.8
125.32928	1.0
129.10255	1.6
136.07607	3.0
137.02353	4.7
153.01782	4.9
165.01833	3.4
183.02856	1.2
201.05475	2.7
229.04944	6.4
247.06116	1.1
257.04428	3.7
285.03931	1.6
303.04956	100.0
304.05389	1.8
465.26782	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	465.1182
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
56.96545	43.8
57.07050	17.4
67.05486	10.6
71.28176	12.1
79.51613	9.9
86.09676	13.2
86.84000	11.3
92.74324	12.6
114.49714	11.1
122.80154	12.6
151.03923	17.5
223.07538	12.5
262.11081	12.3
288.08990	28.6
303.05261	16.2
306.10211	16.1
442.10641	17.1
465.11758	100.0
466.11169	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	465.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08044	1.5
55.01864	3.3
55.38533	1.5
56.05037	1.5
63.82391	1.9
66.39598	1.8
66.65952	1.6
67.05501	2.5
70.06595	3.3
81.03417	1.8
84.04494	38.0
85.02898	3.3
88.32261	2.0
95.04948	2.1
101.07120	4.9
107.04928	3.9
111.04440	1.9
123.04441	4.8
127.03901	3.8
130.05003	48.2
130.05899	3.6
131.02278	1.9
133.02835	3.1
135.04424	9.4
139.03891	63.2
145.57986	2.6
146.06033	5.1
147.07639	72.0
151.03896	79.9
153.05487	4.8
163.03871	22.8
165.05467	3.4
169.04953	4.2
175.03899	2.2
179.03444	2.4
181.05008	9.2
185.06004	2.8
188.07047	5.8
189.05496	9.0
193.05051	5.4
195.06595	3.8
205.05048	3.3
207.49620	2.3
213.05399	2.6
227.07138	3.6
231.06674	2.7
231.79803	2.2
233.08177	4.2
298.69760	2.7
301.07166	5.9
319.08096	100.0
446.92627	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	465.1733
Annotation	1-(2-Hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(2,3,4,6-tetramethoxyphenyl)-2-propen-1-one
Peak:m/z	Relative Intensity
50.55356	1.9
60.87554	1.9
63.35485	1.7
69.07037	1.9
70.06559	3.3
72.08125	4.0
81.03395	3.0
83.04982	2.3
85.02882	6.8
85.99226	2.0
86.09697	6.4
97.02876	3.0
103.05402	2.2
105.06975	2.8
107.99635	2.0
120.08146	2.2
131.04930	4.1
132.05202	2.7
153.45395	2.7
287.26303	2.2
303.04944	9.6
303.11920	3.1
339.05316	2.4
354.13596	2.5
382.12396	2.8
383.36099	2.3
465.17273	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2331
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
51.68607	5.5
51.98743	5.1
53.95785	5.1
55.01847	5.7
57.03420	19.0
57.07052	8.0
59.84636	5.1
61.02917	5.8
66.63282	5.4
69.03419	96.8
70.22895	6.1
81.07044	9.2
85.02893	100.0
87.04452	68.7
93.07041	24.5
97.02892	73.7
102.43561	6.3
107.08602	21.5
109.10162	18.3
115.03935	90.1
121.06540	8.5
127.03907	13.9
133.04973	70.5
135.11720	36.0
145.04929	13.4
150.94557	6.2
153.12729	18.8
165.66226	6.3
201.76346	6.7
267.15787	9.2
297.16849	15.9
303.12289	13.5
341.57733	8.6
465.17236	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	465.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39471	4.4
54.45861	4.8
55.05499	15.1
57.07066	100.0
65.31592	4.9
67.05491	10.2
67.41245	5.1
69.07061	6.2
69.18562	4.8
81.07041	16.7
83.04975	18.3
85.06527	35.6
85.28984	7.1
89.91670	6.6
91.05473	26.4
93.07037	60.9
95.04976	19.6
105.07009	14.5
119.08558	8.4
123.04437	6.2
124.74473	5.8
129.07034	8.6
131.08577	19.6
133.10107	8.7
135.08063	7.8
135.66879	6.7
141.07007	6.1
142.07770	12.8
145.06476	6.6
149.09512	6.2
155.08362	6.1
157.10159	47.5
159.08041	76.7
177.09058	6.9
181.10143	6.0
187.07555	7.5
207.10158	7.3
215.14192	8.5
221.35490	6.5
253.71468	6.7
259.16971	53.5
289.14346	22.0
363.19556	11.5
373.20032	68.6
447.25104	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	465.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43772	4.8
57.07067	100.0
63.38690	4.8
85.06525	27.4
91.05473	32.7
93.07040	52.0
95.04939	13.2
95.08562	6.0
105.07041	6.3
120.50155	6.2
123.04435	7.5
131.08582	18.8
139.09767	7.0
142.07777	16.7
145.06544	8.5
157.10126	46.6
159.08018	73.0
170.29170	6.4
177.09097	7.7
201.16345	10.5
246.04758	6.9
247.13391	8.8
259.16855	46.0
289.14346	18.5
343.77246	8.4
373.20059	49.7
395.21902	7.1
403.98190	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	465.2635
Annotation	Jolkinol B
Peak:m/z	Relative Intensity
55.05499	14.5
57.07064	92.3
61.51695	5.3
67.05491	12.7
69.03405	6.5
79.05485	8.0
81.07033	21.3
83.04958	24.7
83.08616	7.9
85.06534	27.4
91.05452	7.0
91.30890	7.0
93.07033	13.5
95.08581	14.4
105.07016	16.3
109.06504	13.1
109.10128	12.4
119.08585	12.5
131.08659	8.5
134.66727	6.8
135.04413	7.4
159.08067	8.6
184.34311	6.7
200.34933	8.9
223.11266	8.9
225.09059	8.1
236.08260	7.7
237.09038	57.1
250.09865	14.8
251.10527	33.4
261.09103	15.5
263.10675	15.7
271.16937	25.1
277.12262	20.8
278.13110	12.8
279.13858	7.7
289.12289	9.3
293.15247	10.2
303.13800	19.8
307.13342	9.7
331.13217	13.5
335.16272	25.4
345.18344	13.6
352.20486	7.1
359.16046	10.1
363.19467	28.3
377.21320	10.7
387.19449	13.9
391.19028	9.3
405.20758	9.6
429.23947	16.5
430.59598	6.9
447.25107	91.5
465.26196	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	9.8
57.07071	66.0
59.36845	9.6
61.63286	7.9
67.05492	29.7
69.07047	19.0
74.18850	8.4
75.56010	8.2
79.05473	18.0
80.76557	7.6
81.03436	12.1
81.06626	10.0
81.07050	75.7
85.06524	22.8
91.05479	33.4
91.71618	10.9
93.07037	38.4
95.04953	19.7
95.08603	39.7
105.07014	45.9
107.08585	43.8
109.10132	17.9
117.07073	15.6
119.08569	61.9
121.10161	19.8
129.06978	14.2
131.08566	41.8
133.10159	25.5
141.88481	10.1
145.10109	48.9
147.96603	12.0
157.10083	15.4
159.08070	12.3
159.11707	43.5
169.10117	14.1
173.13300	59.3
173.96819	10.8
175.14807	16.2
201.16373	100.0
221.88446	12.1
258.82806	11.0
277.14456	23.6
311.50598	10.2
327.98697	12.0
331.19034	14.4
382.05255	11.0
447.28534	19.7
465.30139	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	465.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	9.9
55.05500	9.6
57.07066	54.5
63.73075	6.3
67.05479	23.2
69.07060	10.1
75.78790	5.4
79.05479	9.6
81.03400	8.2
81.07052	36.6
85.06526	24.5
87.42155	5.4
89.24213	8.8
90.09091	5.8
91.05486	35.6
91.71098	6.7
93.07033	39.9
95.04983	9.1
95.08600	25.5
105.07031	56.9
105.82190	6.9
107.08580	21.7
109.06510	11.7
109.10156	13.4
117.07016	17.2
119.08561	65.6
121.10166	10.4
129.06992	16.4
131.08517	38.2
133.10133	19.4
137.09651	11.4
142.07855	8.5
143.08516	11.9
145.10094	58.7
147.08037	11.0
147.11626	18.5
157.10121	41.4
159.08064	12.0
159.11662	73.3
169.10109	10.0
171.11697	6.8
173.13173	33.7
185.09746	11.7
201.12749	11.2
201.16360	100.0
203.17934	8.8
229.12096	8.8
241.15883	18.9
254.57668	7.4
259.17004	12.5
269.15323	23.5
277.14386	20.3
287.16473	31.0
291.15894	9.3
305.17374	70.4
356.83282	7.4
363.23019	10.0
424.27341	8.0
447.29132	12.5
448.97906	7.0
465.30011	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	465.2999
Annotation	Perovskone B
Peak:m/z	Relative Intensity
50.64707	10.6
53.03941	13.8
55.05495	21.3
57.07071	100.0
67.05486	37.2
68.47762	12.1
69.03417	17.0
69.07050	37.1
70.25573	10.5
79.05500	14.5
81.03403	12.1
81.06583	12.4
81.07040	68.4
83.04961	20.8
83.08623	26.1
85.06530	33.3
85.54420	10.7
91.05468	60.3
93.07038	81.9
95.04989	14.4
95.08601	51.9
105.07014	66.3
107.04939	15.2
107.08591	55.9
109.10161	32.1
117.07032	22.4
119.08583	89.3
121.10096	18.1
131.08548	43.8
133.10152	27.6
135.11697	19.7
143.08598	26.0
145.10135	56.4
155.08614	16.0
159.11737	34.5
167.01340	14.2
171.11615	17.6
173.13284	36.9
201.16396	90.6
229.12181	16.1
276.48190	14.2
276.66513	16.0
277.14349	62.0
331.19250	33.3
363.22900	14.5
447.28931	33.1
465.30011	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.0
57.07067	41.8
57.07325	4.8
61.40866	2.6
67.05499	4.0
69.07059	3.6
74.74134	2.6
81.07053	4.7
85.06532	21.5
91.05473	34.6
91.71086	3.9
93.07035	100.0
95.04955	20.8
95.08543	3.1
99.45120	3.0
105.04556	4.3
105.07054	9.7
112.02104	3.1
118.06516	5.9
125.09675	3.6
129.07005	3.5
131.08565	12.4
133.06534	3.3
137.09634	8.1
143.08548	3.8
151.11183	3.9
157.06598	3.0
171.07869	3.4
173.09650	3.4
189.12856	3.6
201.12743	5.7
227.14404	5.3
242.67062	3.3
283.52585	3.5
345.22073	6.9
355.22559	11.3
447.28781	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	466.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02424	2.0
51.81295	2.2
60.04493	2.6
62.67852	2.4
63.83378	2.4
70.06583	7.5
72.08133	3.7
79.05474	3.0
83.06083	3.4
84.04492	6.9
84.08121	5.4
85.02913	4.1
86.03545	3.3
95.04971	6.2
120.04372	2.6
120.08108	11.8
123.04443	9.3
129.10278	5.4
130.04970	3.8
135.04408	6.5
139.03899	49.7
148.06047	5.2
151.03905	100.0
151.05074	6.7
153.01909	5.9
163.03899	22.0
165.05518	4.0
169.04982	4.7
181.04948	9.3
187.83263	3.1
189.05547	7.9
193.04930	5.1
195.06549	3.4
205.05002	4.8
211.94977	2.9
213.05481	3.1
216.11386	11.1
230.12936	7.3
231.06323	3.8
234.12390	4.3
248.14032	9.7
301.06946	6.7
319.08115	85.0
353.33948	3.8
363.16794	10.3
381.17661	3.6
462.36868	3.7
489.27405	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	466.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53326	5.8
55.01852	9.2
55.05495	17.2
56.96546	6.1
57.03423	7.3
57.06836	8.6
57.07069	100.0
59.68821	5.7
67.05494	10.2
69.03413	18.6
71.08605	12.8
72.76606	7.3
79.05499	16.1
81.07043	13.2
83.01320	8.9
83.04990	7.8
83.08601	9.7
90.43999	6.4
91.05470	20.0
93.07056	9.2
95.04976	7.7
95.08606	13.3
97.02902	9.7
105.07005	19.5
107.04931	10.1
107.08578	13.0
109.02870	18.6
110.07187	7.0
111.08067	8.0
117.05767	7.5
117.06995	10.5
119.08593	7.5
123.08064	8.6
129.07001	19.3
131.08549	13.4
133.06525	21.5
135.08046	11.4
145.06453	16.6
145.10033	8.1
147.08038	13.5
149.05951	18.4
151.07422	7.4
157.06496	11.4
157.10120	11.2
159.08038	28.2
161.05968	42.4
173.05983	15.3
175.03922	16.0
175.07570	26.6
175.14615	8.6
179.03442	25.8
179.07062	12.4
185.05962	35.7
187.07523	22.7
189.05487	25.2
189.09030	9.6
193.05008	27.2
197.13281	11.5
203.07013	81.2
207.06491	12.7
213.05441	38.9
213.12793	8.6
217.04990	9.6
231.06528	62.6
231.13858	9.6
235.06029	61.5
239.98511	9.2
241.12210	12.5
249.07620	34.8
259.06073	27.7
259.13388	21.5
263.09369	10.1
269.11679	17.5
277.07095	58.1
277.10559	9.3
287.12671	10.9
295.08072	13.4
305.10568	15.0
305.13593	40.4
309.05988	65.9
315.12238	11.3
333.13306	84.9
351.14468	37.3
379.14001	25.8
397.15192	11.3
425.14380	50.9
443.15488	98.2
466.17102	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	466.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	18.2
57.19856	2.6
67.05500	3.8
69.03413	3.7
69.07051	3.2
71.08610	6.3
79.05486	3.8
81.07021	3.3
83.01312	4.2
91.05468	7.7
93.07061	3.3
95.04968	6.2
97.06528	3.4
103.37690	3.5
105.06992	7.0
107.08578	4.2
109.02839	3.9
119.08589	3.7
121.06477	5.8
123.04414	9.0
131.04906	4.1
131.08537	5.9
133.06519	9.5
135.04477	4.6
137.06010	6.2
145.06451	5.1
147.08022	5.5
147.56882	3.6
151.03925	13.7
153.02295	3.1
157.06522	4.6
159.08081	4.1
161.05981	7.9
163.07550	6.0
164.09547	4.4
166.39653	4.4
175.07579	5.0
177.05458	5.5
179.03360	14.2
179.07117	7.4
185.06007	3.8
185.09680	5.0
189.05498	8.3
191.07040	9.3
193.05109	4.7
197.04417	8.1
203.03404	5.0
203.07033	4.4
206.89615	3.8
207.06517	10.4
213.05484	4.5
213.12776	4.2
235.06081	7.6
241.12245	4.5
253.06990	4.5
259.13208	7.8
263.05530	6.9
269.11829	4.4
277.07227	3.9
287.12885	5.7
298.07928	5.0
305.14020	4.2
309.06009	55.7
310.61060	3.7
311.95911	3.8
315.12100	5.0
350.13718	8.4
351.14648	4.1
355.06290	4.2
379.14291	5.4
424.09140	5.2
425.14548	19.3
442.16733	5.0
443.15414	100.0
447.10712	6.5
466.12775	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	466.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18090	0.3
53.75477	0.3
54.87321	0.3
57.03409	0.7
57.10691	0.3
60.04483	0.3
66.04707	0.7
69.03422	3.7
69.76297	0.4
81.07024	0.5
85.02888	3.1
87.04436	1.6
90.76887	0.4
94.04196	2.6
97.02893	1.9
99.67631	0.4
115.03919	2.2
122.03632	5.8
133.04945	1.8
137.05968	100.0
138.06331	0.6
145.04926	0.6
150.07637	1.4
216.05214	0.6
281.20001	0.4
347.16269	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68917	2.5
53.00285	2.7
55.01872	3.8
56.05013	3.7
57.03431	23.1
60.04514	4.7
61.02894	3.8
69.03419	85.7
70.06592	6.9
72.08167	4.0
75.04465	4.1
81.03401	3.7
84.04504	8.4
85.02898	44.4
86.09693	5.0
87.04455	51.8
91.05494	3.2
95.04961	8.5
97.02888	52.9
98.06007	4.3
109.65257	3.0
115.03929	72.1
121.06508	5.8
123.04418	39.7
127.03913	4.7
133.04953	49.5
133.70634	3.2
136.07593	6.6
139.03976	5.6
148.05357	3.5
149.02332	8.8
150.07597	16.4
151.07567	11.5
153.01840	8.8
153.05495	4.8
155.07018	100.0
164.04642	18.4
167.07011	8.4
174.07690	4.9
179.06996	53.5
182.05760	8.4
184.00519	4.2
191.07059	6.9
193.08626	4.4
197.08131	12.2
221.08197	8.4
233.06052	3.7
233.08203	9.2
251.08995	16.0
259.06030	10.1
272.06561	3.4
305.06503	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	466.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94168	5.1
56.18409	5.3
57.03422	19.4
57.84995	5.0
59.28881	6.7
69.03416	100.0
80.07249	6.1
85.02897	60.4
87.04462	47.6
95.04937	10.2
97.02879	69.0
105.07047	13.2
114.95984	8.2
115.03922	68.4
123.04427	71.5
127.03904	11.6
133.04990	54.4
137.05992	14.1
145.04956	12.0
148.06342	7.1
150.07726	8.9
151.03899	21.3
155.07008	42.5
165.05447	10.3
167.07037	25.5
197.08279	8.0
221.08228	9.1
267.49661	7.8
338.98297	7.1
466.17776	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	466.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	2.5
59.04995	0.8
63.12442	0.8
69.03415	11.8
85.02885	7.1
87.04462	6.4
91.71684	1.2
94.04163	2.1
96.28600	0.8
97.02875	7.0
115.03924	7.6
116.18429	0.9
122.03603	4.4
133.04961	6.8
137.05968	100.0
144.66939	0.8
150.07640	1.8
219.06299	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24409	12.1
60.79055	15.6
69.53590	13.7
70.06579	25.9
83.95821	13.1
86.69855	13.4
88.50138	14.9
129.10271	29.6
150.48270	14.8
158.06021	17.2
162.19269	14.2
216.11324	61.7
230.12875	39.5
234.12419	36.1
246.50487	17.0
248.14101	41.5
282.20877	21.4
325.85605	17.6
330.68628	17.6
363.16486	100.0
381.17715	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	466.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00246	1.1
55.05521	1.4
57.03421	3.4
57.07064	3.4
63.67843	1.0
67.05502	8.2
69.03426	16.9
69.07052	2.6
69.65460	1.1
71.04983	1.4
73.02912	1.7
79.05474	3.5
81.03403	3.7
81.07047	100.0
83.08596	1.3
84.04472	1.4
84.32212	1.1
85.02898	19.0
87.00813	4.7
87.04462	6.9
90.74319	1.4
91.05486	1.4
93.07050	7.3
95.04951	1.2
95.08600	38.7
97.02886	13.7
99.04411	1.3
105.01849	10.9
105.07025	3.5
106.45627	1.4
107.08579	5.0
109.02885	3.3
109.06519	2.0
109.10151	16.8
115.03927	14.0
120.99474	1.4
121.10137	1.8
123.11701	43.4
123.12584	2.7
127.03906	11.5
133.04973	10.4
133.10127	5.0
137.13258	18.4
145.04974	4.8
151.11180	23.9
159.02783	1.5
163.06081	1.5
183.13797	33.2
193.47668	1.4
221.80766	1.2
231.05016	4.0
235.13290	1.2
249.06088	1.5
295.10266	4.3
443.15518	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	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.2
57.07076	10.8
62.59946	1.8
64.30658	1.9
67.05497	4.9
67.44662	1.7
69.03418	20.3
81.07044	36.8
85.02888	14.9
87.04454	12.9
89.86142	2.4
91.12565	1.9
91.39319	2.3
95.08598	46.5
95.09151	4.0
97.02870	18.0
109.10147	4.1
115.03923	29.6
133.04945	21.6
135.20163	2.2
137.13254	100.0
142.45724	2.2
145.04968	3.1
149.94415	2.4
183.85542	2.0
227.97902	2.3
282.75238	2.4
425.14194	3.2
443.15546	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	466.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	17.7
57.07055	7.5
59.04993	5.1
59.40038	4.2
60.83920	4.3
69.03417	95.4
69.07072	9.7
74.49899	3.8
74.99174	3.6
75.04458	6.3
80.62589	3.9
81.07044	74.9
85.02890	66.5
85.28602	4.6
87.04452	55.1
91.71622	10.0
92.14840	4.6
95.08583	42.7
97.02879	71.8
109.10131	6.5
111.11742	10.1
115.03918	92.9
133.04953	59.2
137.13243	100.0
145.04924	9.0
150.07591	11.1
155.14287	47.8
251.16928	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	466.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56041	1.1
55.05497	1.4
57.03439	2.5
57.07056	3.1
67.05503	3.6
69.03416	11.9
69.07039	2.7
70.06578	1.5
71.64967	1.0
75.04436	1.2
79.05481	3.8
81.07047	100.0
84.04514	1.7
85.02902	10.8
87.04458	6.3
91.05505	1.5
91.71034	1.4
93.07046	1.7
95.08591	9.8
97.02888	9.8
101.12912	1.4
110.18697	1.2
111.73816	1.4
115.03928	16.4
127.03909	2.3
133.04965	13.3
137.13257	25.5
145.04971	2.5
150.07712	1.7
181.14015	1.3
233.48773	1.5
234.13075	1.7
258.08859	1.4
259.08124	2.5
263.67456	1.5
269.21356	1.6
277.81769	1.4
295.10236	3.4
295.87958	1.4
354.11792	1.4
443.15323	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	466.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98738	3.8
52.70331	3.6
55.05495	4.9
57.03424	24.3
57.07066	8.0
59.04985	10.5
65.03983	3.5
67.05495	4.9
69.03423	100.0
69.07046	6.4
79.05488	5.4
81.07049	50.3
81.74442	3.9
82.59158	3.8
82.99172	4.1
83.01335	5.4
85.02422	8.6
85.02892	97.5
87.04458	67.2
87.87981	4.1
95.08582	29.8
97.02884	91.1
109.10154	18.7
111.11703	10.7
115.03921	96.4
127.03929	15.2
133.04958	90.7
133.83365	5.1
137.13229	67.4
145.04950	19.8
150.07578	12.2
155.14307	47.7
163.05994	6.7
182.42113	4.5
219.57516	4.9
251.16248	4.8
283.88870	5.4
297.11157	6.7
302.78241	6.2
361.12814	7.7
379.13776	7.1
407.13452	6.6
425.14423	11.7
443.15472	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	466.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53384	3.4
55.05503	26.8
57.03420	11.4
57.07061	12.1
58.06588	62.3
58.29792	3.3
67.05486	18.1
69.07051	32.5
75.24880	3.9
81.07050	20.2
83.08599	22.0
85.18279	3.9
93.07037	8.3
95.08591	18.9
97.02897	4.8
97.06505	4.9
97.10135	7.4
102.75121	3.7
109.10163	7.9
109.91562	4.0
121.10116	4.3
135.11665	7.6
186.01678	4.1
309.57651	6.4
311.25894	6.1
325.27325	100.0
425.14261	6.0
443.15634	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	466.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01531	3.7
55.05500	21.4
57.03424	10.1
57.07064	11.2
62.06095	4.6
67.05484	18.0
69.07062	32.2
70.37477	3.4
71.08617	5.1
79.05502	4.7
81.07050	21.2
83.08597	19.7
93.07040	10.9
95.08602	18.1
97.10155	6.6
98.95818	3.7
98.98387	4.2
99.80030	4.0
107.08605	9.9
109.10152	10.5
121.10113	10.2
131.45293	4.2
135.11629	4.9
142.06064	4.3
143.85635	5.0
183.04971	4.7
294.28049	5.3
314.35388	4.9
325.27368	100.0
373.74210	4.7
449.91925	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41713	3.8
54.57866	3.8
55.05501	13.8
55.72255	4.6
56.00259	4.0
57.03422	12.0
57.07074	12.6
57.26876	4.0
58.06599	40.8
67.05492	16.2
69.07053	34.3
71.08645	4.3
78.04625	4.5
79.05454	5.5
81.07045	19.5
81.10597	4.5
83.08609	20.8
93.07042	8.0
95.08590	16.0
97.10143	11.3
100.85458	5.4
107.08605	7.7
107.55981	4.5
111.11651	4.3
111.13094	4.5
135.11696	7.9
143.76118	5.3
153.14229	4.8
182.05891	5.3
190.57271	5.0
201.15994	6.2
219.77000	5.3
295.65707	4.9
311.25772	100.0
355.00415	4.8
377.46286	5.4
437.58035	5.9
443.15460	6.3
461.93890	6.2
462.38614	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.5
67.05495	23.6
69.07053	5.8
79.05489	4.3
81.07047	43.1
83.08615	7.0
89.03902	5.4
93.07033	6.6
95.08600	33.2
97.10169	6.9
107.08589	3.3
109.10140	9.6
117.03383	15.4
121.10143	10.6
123.11691	19.3
125.48174	2.2
135.11682	7.3
137.13258	8.7
145.02817	26.2
146.24370	2.6
146.78696	2.6
148.07265	2.3
149.05994	6.0
149.13249	2.7
158.05975	3.5
168.73473	2.8
177.05449	100.0
186.05502	15.2
195.06491	13.0
219.21053	5.3
237.22221	7.4
255.23207	5.4
290.53671	2.5
312.26141	4.2
417.39737	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	466.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42487	4.6
57.07068	37.5
57.69840	4.0
70.87630	4.9
71.08630	33.7
85.10166	14.3
89.06017	100.0
116.19801	7.0
118.39930	5.3
130.08638	22.5
133.08620	45.7
142.06569	5.9
145.14587	4.9
145.92310	5.0
173.47285	5.4
239.14880	30.4
264.63599	5.2
295.94781	5.8
430.88715	7.2
449.38495	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	466.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78242	4.1
54.54087	5.1
57.06861	4.3
57.07070	43.7
57.69035	5.4
63.26310	4.9
71.08624	34.7
71.72686	6.9
75.95224	5.6
82.91628	6.6
85.10178	20.0
89.06019	100.0
105.55978	6.2
130.08665	26.4
133.08597	67.5
177.11174	10.1
213.92192	6.7
239.14848	68.4
242.91872	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	467.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04171	7.5
54.98435	8.3
55.17324	7.1
64.31086	9.8
75.80427	7.3
82.52046	8.4
85.02919	9.0
90.08691	9.7
100.12054	8.7
126.57240	9.8
130.94101	9.1
151.03918	14.6
170.57710	10.5
176.55576	9.2
317.08386	18.5
405.61807	10.9
434.20462	10.4
467.11731	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1187
Annotation	Taxifolin 4'-glucoside
Peak:m/z	Relative Intensity
51.96069	1.7
53.88656	1.8
55.01865	1.9
57.03436	2.5
62.12115	1.9
65.03948	3.2
68.98072	1.9
68.99783	3.7
69.03410	6.7
85.02888	9.5
87.04459	2.2
93.04445	2.1
95.04942	4.5
97.02887	4.4
99.17316	1.8
111.04452	8.1
121.02879	8.5
123.04424	63.1
124.04716	2.5
127.03911	5.6
135.04375	3.6
136.07597	2.6
139.03883	5.7
147.04414	3.1
149.02335	70.5
149.60458	2.6
151.03914	6.3
153.01822	100.0
157.06470	3.2
161.02391	4.3
163.57257	2.6
167.03366	19.8
171.02882	5.4
179.03381	5.3
183.02992	3.2
185.06006	8.3
195.02882	19.7
203.20554	2.6
213.05463	12.8
221.35837	2.5
231.06502	52.4
241.04951	7.0
259.06006	53.9
287.05496	26.8
305.06552	67.7
480.76080	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	467.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96069	1.7
53.88656	1.8
55.01865	1.9
57.03436	2.5
62.12115	1.9
65.03948	3.2
68.98072	1.9
68.99783	3.7
69.03410	6.7
85.02888	9.5
87.04459	2.2
93.04445	2.1
95.04942	4.5
97.02887	4.4
99.17316	1.8
111.04452	8.1
121.02879	8.5
123.04424	63.1
124.04716	2.5
127.03911	5.6
135.04375	3.6
136.07597	2.6
139.03883	5.7
147.04414	3.1
149.02335	70.5
149.60458	2.6
151.03914	6.3
153.01822	100.0
157.06470	3.2
161.02391	4.3
163.57257	2.6
167.03366	19.8
171.02882	5.4
179.03381	5.3
183.02992	3.2
185.06006	8.3
195.02882	19.7
203.20554	2.6
213.05463	12.8
221.35837	2.5
231.06502	52.4
241.04951	7.0
259.06006	53.9
287.05496	26.8
305.06552	67.7
480.76080	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	467.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70872	0.5
66.09081	0.6
69.03413	1.3
70.06580	1.2
72.08133	1.1
84.04501	9.6
85.02916	4.0
86.09694	1.5
91.71626	0.9
97.59399	0.7
102.05530	5.4
108.80529	0.7
130.05122	7.5
130.06522	100.0
131.06868	1.1
136.07582	1.4
143.07318	1.6
144.08089	8.4
148.06049	13.2
158.06061	3.8
172.07564	15.7
214.08623	1.2
259.10828	1.9
287.10284	1.8
305.11310	16.4
347.12415	1.5
467.18716	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	467.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68044	7.1
57.03433	21.7
57.07073	13.3
58.11525	7.4
58.66371	6.9
60.04516	15.9
69.03420	95.2
69.07040	6.4
70.03723	7.2
71.58976	6.8
81.03423	7.8
81.07050	58.0
84.64381	7.2
85.02898	91.2
86.03263	8.2
87.04460	59.5
95.08038	6.0
95.08639	24.5
97.02876	68.6
98.03248	8.2
100.89751	7.0
109.10175	11.7
111.11730	11.9
115.03912	87.5
116.04295	13.9
119.08620	7.6
127.03973	10.6
133.04951	67.6
137.13246	60.2
138.13623	11.9
145.05003	15.4
147.04414	8.4
150.07562	15.4
155.14328	47.3
180.07706	8.4
196.17140	9.5
228.74445	8.2
426.14896	11.8
444.16183	10.1
467.16928	100.0
478.79575	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	467.1885
Annotation	Trp Asp Phe
Peak:m/z	Relative Intensity
57.20558	2.1
83.80360	2.2
98.82355	2.4
135.11711	2.8
139.03915	2.5
163.07690	3.3
195.95494	2.7
256.01291	3.1
467.18817	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.204
Annotation	CARAPIN-8 (9)-ENE
Peak:m/z	Relative Intensity
59.22542	2.6
66.54935	2.6
66.77447	2.6
86.08688	2.7
91.71696	6.1
95.27677	3.0
95.45004	3.0
108.63243	2.8
113.24012	3.4
114.56829	3.6
116.40452	3.8
158.29060	3.6
183.07649	4.0
245.83107	3.1
330.54211	3.5
423.34958	3.6
427.13657	4.3
457.57672	3.8
467.20438	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	11.5
55.05507	14.2
57.03411	11.2
57.19398	4.9
60.16291	4.7
60.25193	5.7
67.05499	57.1
68.26422	5.7
69.03427	9.5
69.07060	21.2
71.04998	32.9
79.05471	19.5
81.03401	5.7
81.07040	37.3
83.04971	7.9
85.02899	100.0
86.09718	8.3
87.04486	5.9
91.05489	15.9
91.17523	5.3
93.07027	39.3
94.93511	5.0
95.01337	6.6
95.04968	9.2
95.08592	78.3
99.04435	34.9
101.05960	9.6
105.07027	16.2
107.04964	6.9
107.08575	10.5
109.10165	18.4
111.17193	5.6
113.06023	7.2
113.09606	9.3
115.03883	12.1
117.05502	29.5
117.07011	10.5
119.08588	9.9
121.06551	6.9
121.10126	23.9
127.03871	14.2
129.05501	6.0
131.08562	23.8
135.08035	8.9
137.05949	9.3
139.11212	28.3
153.12778	7.8
159.11700	16.1
173.13287	12.0
175.11102	6.3
177.12701	5.9
191.14302	8.5
201.12634	9.3
219.13811	36.7
233.15392	8.1
237.14862	16.4
251.16440	14.3
255.15938	30.6
287.12784	9.6
343.77588	5.9
467.18710	92.2
482.75659	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	467.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	11.5
55.05507	14.2
57.03411	11.2
57.19398	4.9
60.16291	4.7
60.25193	5.7
67.05499	57.1
68.26422	5.7
69.03427	9.5
69.07060	21.2
71.04998	32.9
79.05471	19.5
81.03401	5.7
81.07040	37.3
83.04971	7.9
85.02899	100.0
86.09718	8.3
87.04486	5.9
91.05489	15.9
91.17523	5.3
93.07027	39.3
94.93511	5.0
95.01337	6.6
95.04968	9.2
95.08592	78.3
99.04435	34.9
101.05960	9.6
105.07027	16.2
107.04964	6.9
107.08575	10.5
109.10165	18.4
111.17193	5.6
113.06023	7.2
113.09606	9.3
115.03883	12.1
117.05502	29.5
117.07011	10.5
119.08588	9.9
121.06551	6.9
121.10126	23.9
127.03871	14.2
129.05501	6.0
131.08562	23.8
135.08035	8.9
137.05949	9.3
139.11212	28.3
153.12778	7.8
159.11700	16.1
173.13287	12.0
175.11102	6.3
177.12701	5.9
191.14302	8.5
201.12634	9.3
219.13811	36.7
233.15392	8.1
237.14862	16.4
251.16440	14.3
255.15938	30.6
287.12784	9.6
343.77588	5.9
467.18710	92.2
482.75659	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	467.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	17.7
55.05496	31.2
57.03421	51.9
58.84976	10.7
59.34151	9.1
61.02912	78.8
61.74394	11.8
67.05482	72.4
69.03411	54.0
69.07063	28.2
70.69926	11.5
71.04990	17.6
73.02893	36.8
75.04493	10.2
76.31219	12.0
76.58249	11.5
79.05476	55.8
81.03410	37.6
81.07047	67.4
83.04977	16.3
85.02896	86.0
91.03947	41.5
91.05470	100.0
93.07039	94.6
95.04987	21.1
95.08604	37.4
97.02332	11.7
97.02876	68.3
105.07006	98.6
107.04919	13.9
107.08591	35.8
109.10175	16.6
117.07022	47.5
119.08570	72.5
121.10128	32.6
122.50793	15.6
127.03941	14.8
129.05464	19.6
129.07002	42.2
131.08568	70.5
133.10103	60.6
135.11674	14.3
143.08484	30.8
145.10139	46.8
147.11728	31.7
149.09660	14.2
155.08488	13.8
157.10152	47.5
159.11661	38.6
161.13235	17.4
171.11723	34.6
183.11690	16.0
199.11246	14.9
213.16322	33.2
231.17355	29.5
234.47469	13.4
243.17412	19.1
303.04507	13.4
305.20996	27.6
339.19348	22.4
347.21869	16.5
357.20453	13.7
369.62686	17.3
389.00577	14.7
395.42126	12.3
413.23090	19.6
431.24316	21.0
467.26379	53.8
482.59503	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	467.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	15.2
56.66809	3.7
57.03425	15.4
57.06836	5.6
57.07067	63.4
63.44422	4.6
67.05489	24.9
69.07050	15.0
71.08620	39.5
81.07043	29.6
83.08598	9.3
85.10176	22.9
91.05467	8.0
95.08590	36.2
95.20687	5.1
97.10125	4.8
98.98460	55.5
109.10146	10.7
123.11745	5.6
155.01056	68.9
157.94174	5.5
218.02510	5.3
313.27307	100.0
401.96664	5.8
419.34525	5.4
426.24753	7.0
449.26382	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	467.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53484	3.7
55.05492	10.3
57.03410	16.6
57.07066	58.3
58.30160	4.2
59.93174	4.3
67.05495	21.5
69.07060	10.7
71.08618	32.7
81.07055	22.2
83.08615	18.8
85.10175	12.9
95.08616	19.8
98.98457	60.6
109.10143	13.4
110.19225	5.7
155.01048	61.7
219.19499	6.7
239.23817	7.7
313.27356	100.0
375.51395	6.2
379.25424	7.8
449.26651	16.5
484.27881	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	467.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53484	3.7
55.05492	10.3
57.03410	16.6
57.07066	58.3
58.30160	4.2
59.93174	4.3
67.05495	21.5
69.07060	10.7
71.08618	32.7
81.07055	22.2
83.08615	18.8
85.10175	12.9
95.08616	19.8
98.98457	60.6
109.10143	13.4
110.19225	5.7
155.01048	61.7
219.19499	6.7
239.23817	7.7
313.27356	100.0
375.51395	6.2
379.25424	7.8
449.26651	16.5
484.27881	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	467.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12165	5.7
51.26505	5.7
57.07066	100.0
66.29996	6.8
66.63940	6.6
67.05499	13.0
68.58093	6.1
69.07062	9.4
71.08650	9.3
81.07040	55.9
85.06529	46.5
91.05468	12.8
95.08571	10.4
105.06990	11.5
109.06506	66.5
119.08507	9.3
121.06561	7.2
137.09570	8.7
145.65324	8.1
147.08105	13.4
181.09969	9.1
224.29584	9.0
229.15851	63.1
257.15405	11.9
346.82541	8.7
365.21124	15.1
383.22110	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48550	6.9
57.07072	100.0
66.39336	8.7
67.05483	14.7
77.15870	8.2
81.07043	16.5
83.04930	8.4
85.06529	22.2
91.05476	35.4
93.07028	65.9
95.04967	28.9
95.08614	15.5
105.07002	9.6
114.26177	8.5
121.06493	18.0
163.11211	25.7
215.10672	10.9
221.09612	9.6
244.21242	8.9
307.16998	12.4
326.35315	9.2
347.20111	23.8
365.20959	30.5
396.82169	11.0
449.26825	23.0
453.59824	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	467.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65946	7.9
55.05501	74.7
57.03425	13.5
57.07069	12.8
63.02515	9.7
63.52066	8.9
67.05494	46.6
69.03423	20.3
69.07063	31.0
74.25880	10.9
79.05496	33.7
81.07048	74.7
83.04984	31.4
83.08607	96.2
91.05474	61.7
93.07050	93.4
95.04969	14.2
95.06089	10.5
95.08609	46.9
105.07030	86.8
107.07933	12.2
107.08604	44.8
109.06520	25.6
109.10151	47.5
111.08126	14.1
115.40108	10.7
117.07020	19.5
119.08602	100.0
121.06560	11.1
121.10146	20.9
129.46727	11.4
129.56380	11.7
131.08537	52.9
133.10152	32.9
135.11722	21.2
141.25473	10.3
145.10150	44.9
147.11688	16.9
149.09636	12.4
157.10132	26.4
159.11740	45.1
161.09612	18.9
162.04771	11.2
169.10172	12.9
171.11781	15.2
173.09840	12.3
173.13295	25.0
175.11177	11.4
177.12743	16.5
181.10158	12.9
183.11813	14.6
201.12759	41.9
201.16397	23.3
205.12270	17.2
209.09587	11.5
213.08409	10.8
215.14371	17.3
217.12224	21.7
217.15912	13.9
219.13789	90.1
233.15373	28.3
259.16739	14.9
261.14850	32.6
272.17627	19.8
273.18533	19.3
283.16968	14.1
289.17917	28.9
297.14325	13.1
315.19504	51.8
393.24329	16.7
480.66861	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50411	5.5
51.56268	5.0
53.03931	6.5
55.05507	35.9
57.07078	34.0
57.90663	5.7
67.05495	37.2
67.05785	5.9
69.03419	8.5
69.07058	15.1
70.67550	6.8
71.08583	7.7
77.20283	6.4
79.05487	12.3
79.13343	5.7
81.07051	34.1
83.04966	43.8
83.08598	25.8
85.06542	9.3
91.05461	25.7
93.07050	36.6
95.04942	10.4
95.06266	6.1
95.08611	17.6
105.07034	26.1
107.08569	33.6
109.06528	43.8
109.10137	42.9
115.05490	10.9
117.07018	8.9
119.08589	23.1
121.06455	11.2
121.10183	8.8
123.08044	7.0
129.07008	8.9
131.08508	11.4
133.06474	11.9
133.10143	17.4
135.08049	41.0
143.08504	9.4
145.10106	18.8
145.54124	6.5
155.01079	7.4
157.10120	8.1
159.08072	11.5
159.11694	11.6
161.09642	30.6
161.13402	7.0
173.13287	7.1
215.07149	6.8
217.15875	36.5
285.18301	10.5
299.20056	70.0
313.27603	9.1
315.19589	9.3
328.83890	8.1
393.24170	100.0
449.30423	11.6
450.59647	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.0
55.05502	41.0
56.80134	3.3
57.07053	12.9
58.45820	3.3
59.04984	3.6
65.88982	3.5
67.05505	23.6
69.03413	11.7
69.07044	14.3
78.96590	4.3
79.05468	9.1
81.07039	43.7
81.22025	5.2
83.04969	100.0
83.05471	6.1
83.08614	40.1
88.01979	4.6
91.05486	21.9
93.07025	30.6
95.04970	7.3
95.08607	20.8
105.07024	34.2
107.04968	6.6
107.08588	39.4
109.06517	85.7
109.10157	44.4
111.08066	23.9
117.07030	9.6
119.08569	28.4
121.06506	17.4
121.10156	16.1
123.08040	6.6
131.08537	10.7
133.10136	23.8
135.08049	50.6
135.11668	10.2
143.08553	8.3
145.06499	9.9
145.10127	23.9
145.22404	4.3
147.08037	11.7
147.11690	14.8
149.09631	7.0
157.10138	13.1
159.11699	12.5
161.09589	31.2
163.11198	8.7
166.85185	4.3
167.13068	4.3
172.08864	4.3
173.09637	7.0
173.13287	10.6
175.11104	8.2
175.14857	8.6
185.09578	5.4
187.11108	8.3
189.12807	10.7
189.16394	6.5
199.11252	6.9
199.14832	5.4
201.12698	9.1
203.14386	7.3
212.52180	4.0
217.15825	47.6
219.13756	5.9
227.14261	5.1
245.15511	6.9
259.16949	29.3
263.14450	4.5
273.18460	76.9
299.19901	5.7
424.68268	4.7
431.29379	17.6
440.73840	5.0
449.30716	49.6
450.30948	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	468.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60083	0.9
57.07066	10.4
62.22723	1.1
67.05502	1.0
68.77425	0.9
76.51989	1.0
79.05483	1.6
81.07044	2.0
85.06530	6.0
85.11788	1.1
87.62164	1.2
87.72713	1.1
91.05458	4.6
91.71603	1.5
93.07058	1.8
105.06203	1.1
105.07008	4.0
109.10149	1.3
115.05457	1.5
119.08564	1.8
128.06244	2.0
128.83989	1.1
129.07001	2.9
131.08557	6.9
133.06512	6.7
137.05966	2.4
141.06075	1.0
141.06935	5.8
144.05742	5.8
147.08076	1.9
159.08049	20.8
161.05919	1.8
175.07538	4.5
176.24428	1.1
185.05972	59.8
189.05470	3.1
203.07021	58.8
245.11707	100.0
246.12154	1.6
333.18930	1.3
344.03482	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	468.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.6
55.05500	6.1
57.03415	2.6
61.88189	1.9
67.05492	18.0
69.03416	6.3
69.07044	4.5
70.06578	6.5
71.04970	2.8
72.08162	2.5
73.02914	3.3
73.68573	2.7
79.05489	26.6
81.03410	3.9
81.07047	40.6
83.04964	6.4
85.02892	17.0
87.00820	3.5
91.05485	9.5
93.07034	69.7
95.04969	3.5
95.08585	15.4
97.02853	3.0
97.06544	4.9
105.07018	6.3
107.04974	4.0
107.08588	10.4
109.06494	3.6
111.04420	5.3
121.10141	100.0
123.11705	2.8
125.05977	5.2
131.04927	3.3
131.08562	23.3
137.05984	3.6
139.11171	7.8
145.04950	3.2
147.68985	2.4
149.09604	52.1
157.12323	3.1
157.73361	2.5
167.10652	62.7
185.11774	4.8
191.04271	2.3
217.96901	2.6
247.10789	2.4
250.29878	3.0
253.10794	4.7
271.11789	16.6
289.12570	3.1
306.07040	4.3
311.79675	2.9
468.19049	13.2
469.20438	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	468.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54649	2.5
53.44756	2.5
55.01859	6.3
55.05506	4.5
57.03437	6.8
58.34319	2.5
60.35101	2.3
61.02922	6.6
66.93401	2.8
67.05496	10.1
69.03423	29.0
69.07064	7.2
70.06579	11.8
71.04983	6.2
71.28048	2.8
73.02900	3.7
79.05489	8.3
81.03412	17.5
81.07053	15.2
83.04972	4.5
83.08733	3.2
85.02903	81.6
86.09702	6.0
87.00820	17.6
87.04456	10.7
91.05473	4.3
91.71072	6.6
93.07038	25.9
95.08597	35.8
97.02887	25.1
97.06525	6.4
99.04450	8.9
105.01858	19.1
107.04955	8.3
107.08570	6.9
109.02852	21.7
115.03934	10.0
117.84721	3.3
119.08656	3.5
121.10145	63.0
121.11005	5.7
121.43659	3.3
127.03934	36.8
139.11182	100.0
139.12262	5.5
145.04953	6.4
149.02351	6.3
149.09647	10.6
153.01859	12.5
159.02937	7.1
167.10637	15.6
174.96429	3.2
185.11748	43.8
203.12846	22.1
215.07201	7.7
243.06552	5.4
289.07132	14.7
468.00009	3.9
468.18945	7.0
469.20346	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
55.05504	2.2
57.03424	3.6
61.02910	6.7
65.03917	2.4
67.05494	94.2
69.03421	16.3
71.04971	3.2
73.02895	3.7
79.05500	3.4
81.03403	7.9
81.07048	13.7
81.85648	1.8
85.02892	91.1
87.04454	2.0
91.03940	2.5
93.07017	2.8
97.02878	23.1
99.04475	4.0
102.72946	1.5
107.08576	2.4
109.02856	8.9
109.10147	100.0
127.03902	16.7
127.99679	2.0
145.04951	24.4
154.58839	1.8
163.06068	11.3
234.14806	1.8
236.21165	1.8
256.71695	1.8
347.74487	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	468.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	7.8
59.71924	2.9
60.08152	22.3
60.90397	2.4
63.79923	2.6
70.19530	2.6
71.07365	6.0
86.09696	49.8
89.36997	2.5
95.08620	3.4
103.75658	2.8
104.10734	100.0
124.99992	18.9
125.85910	3.1
137.06000	16.1
140.39070	2.8
161.05983	4.6
184.07332	82.9
258.59235	3.1
259.76785	2.8
274.91360	3.0
450.29657	4.7
468.30814	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	468.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66557	6.0
57.07059	21.4
58.06590	100.0
61.96645	6.0
66.07333	6.6
67.05482	7.6
71.08636	11.5
71.18018	7.0
73.74989	7.3
85.10167	6.1
89.06068	9.9
143.49683	7.9
159.84035	8.2
241.93018	7.8
313.27191	11.4
327.29047	20.4
333.27219	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	468.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33278	2.5
55.05500	6.7
57.03438	5.2
57.07063	48.0
62.06078	32.4
62.64643	3.1
67.05486	7.4
69.07035	7.3
71.08616	25.0
73.33135	3.1
76.19641	3.0
79.05459	2.9
79.97614	3.3
81.07049	11.2
83.08613	9.6
85.10157	16.8
89.06007	16.4
89.88773	3.0
91.05478	3.6
95.08588	14.7
97.10181	5.7
98.98455	7.1
107.08553	3.8
109.10149	9.0
133.08597	8.5
155.00992	6.0
177.11215	6.0
187.64278	3.8
189.84163	3.6
192.04637	3.5
201.24883	4.2
233.79510	3.5
296.29419	13.4
327.28903	100.0
355.12506	3.8
407.25940	5.9
451.36115	7.5
470.10275	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	468.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.6
57.07068	67.9
57.15920	3.5
63.83201	3.4
67.21033	3.3
69.07030	7.0
71.08611	63.1
73.06535	4.2
85.10171	34.8
87.04451	5.7
89.06017	100.0
90.04597	4.5
91.71075	7.8
99.11711	7.4
107.07031	6.3
111.11639	4.8
126.04080	3.9
129.39139	5.3
130.08601	26.4
133.08589	65.0
139.25235	4.1
177.11249	16.3
187.77727	5.1
195.12109	5.5
205.65353	5.1
283.17419	27.4
423.05817	5.6
451.36261	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	468.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56345	4.0
55.05479	3.6
56.41115	3.5
57.06799	5.5
57.07065	81.5
58.88135	4.6
61.67613	4.0
63.96663	4.0
65.34826	4.4
67.43641	4.7
69.07051	6.0
71.08628	48.8
72.13766	4.2
73.06554	7.8
79.43614	4.4
85.10162	39.5
85.10493	3.7
86.27745	4.6
89.06023	100.0
91.71564	8.8
94.74971	4.3
99.11707	7.3
108.43964	4.9
130.08626	22.1
133.08591	61.5
156.50732	4.6
177.11229	21.3
195.12332	7.5
268.24731	5.9
283.17511	31.8
323.11594	5.0
341.38287	5.4
451.36270	31.8
457.27032	5.4
476.92184	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	469.1339
Annotation	Catechin-4-ol 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
57.03393	1.4
59.69338	1.1
69.03418	5.5
77.71188	1.3
81.03395	2.6
82.35414	1.3
85.02891	9.2
86.46485	1.3
95.04951	2.9
97.02889	3.2
109.02876	2.3
123.04457	2.9
127.03962	3.3
133.02858	5.1
135.04440	2.5
138.05493	2.8
139.03894	100.0
151.03894	9.0
160.29695	1.6
163.03879	9.3
168.28345	1.8
169.04968	6.7
178.50720	1.6
181.04968	3.6
205.04749	2.3
221.42122	1.7
289.07217	5.5
307.08130	4.1
469.12323	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	469.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
65.69154	4.9
66.82461	4.7
70.21990	5.4
83.32840	5.2
119.01902	32.9
142.03497	25.7
145.03481	14.1
157.03520	10.7
161.02931	8.0
165.05107	16.4
168.05096	15.9
169.03453	35.7
171.05086	8.0
187.04529	25.7
198.06250	11.9
203.03917	6.8
208.04620	12.2
210.06088	54.0
221.17995	6.2
229.05507	21.1
239.46370	6.6
245.82574	8.0
270.08142	11.4
275.06137	90.9
277.07761	36.5
293.07278	8.9
316.08737	100.0
316.12302	7.2
318.10492	33.3
321.10468	7.6
355.87051	8.0
409.11871	8.7
450.14407	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	469.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46491	4.2
54.32505	4.1
55.01883	5.6
55.71862	3.8
59.16615	4.5
59.83879	4.3
81.03442	8.4
81.07044	5.3
82.29073	4.7
91.05505	15.4
93.07040	7.2
95.04986	8.0
97.02897	5.7
103.05492	5.5
107.04985	6.8
109.02921	17.2
113.39508	5.2
119.04985	9.5
121.06475	4.9
123.04376	9.8
131.04977	14.3
133.02893	13.0
135.04443	11.7
136.05232	8.3
137.05971	70.5
139.03889	95.8
149.05959	10.7
151.03900	77.5
151.07539	27.8
153.05615	6.3
157.06383	6.1
163.03963	22.8
163.07538	10.2
168.83385	5.3
169.05032	19.4
175.03905	5.2
177.05481	26.1
181.05069	8.8
189.05516	7.6
193.05037	7.0
196.78403	6.5
204.58456	5.8
217.04147	5.8
250.75720	6.4
301.07135	13.0
301.10620	69.3
319.08105	100.0
326.23605	5.8
331.66626	6.0
335.09604	9.7
380.56894	7.1
469.20364	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31887	3.0
55.01873	4.1
67.05497	7.8
68.18993	3.7
81.03418	7.3
81.07024	3.7
85.02887	4.2
89.80364	3.9
91.05471	12.9
95.04965	9.9
103.05453	6.8
107.04984	6.7
109.02874	22.5
110.42521	4.2
119.04919	12.9
123.04443	14.0
127.03861	4.5
131.04951	16.5
133.02873	17.0
135.04422	13.3
136.05222	9.9
137.02345	6.8
137.05957	79.8
139.03891	100.0
149.05986	9.8
151.03897	84.3
151.07533	48.1
163.03880	30.4
163.07573	12.4
169.04970	25.6
175.03886	6.5
177.05502	19.9
189.05501	4.9
193.04948	8.0
271.05966	44.1
301.07092	17.0
301.10727	80.2
319.08118	96.9
365.64398	4.5
469.20401	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	469.168
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
70.06583	2.8
91.71671	5.9
97.65431	2.4
120.39647	2.3
139.03864	4.2
151.03938	4.9
159.73753	2.6
230.85652	2.9
293.30899	3.2
307.28357	3.0
313.82980	3.1
319.07925	6.0
365.10559	8.1
466.84067	2.7
469.16711	100.0
470.16724	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	469.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63978	6.5
57.07056	7.4
64.22174	6.2
67.02306	6.6
70.21306	7.7
70.44054	6.6
72.91226	6.6
89.06029	36.1
91.71214	25.9
95.03656	7.4
133.08621	32.9
162.34705	8.2
186.96808	9.8
203.01892	8.9
265.61792	9.1
283.17523	11.5
306.10211	9.2
383.09036	61.4
426.14050	13.6
453.14142	9.6
468.39276	9.7
469.20020	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2045
Annotation	Trp Thr Tyr
Peak:m/z	Relative Intensity
61.83121	2.0
70.93548	1.7
77.55100	1.6
83.19213	1.5
93.07008	3.8
107.08617	2.8
136.70221	2.0
151.03909	3.0
177.05556	2.8
202.25989	2.3
301.10928	2.6
319.94983	2.1
335.09445	15.6
469.20450	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2042
Annotation	Trp Thr Tyr
Peak:m/z	Relative Intensity
56.76092	1.6
61.96735	1.5
61.98765	1.8
62.55703	1.8
63.35967	1.8
65.75861	1.8
69.03422	2.0
74.19250	1.9
81.07032	3.5
81.98412	1.7
85.02922	2.6
86.42654	1.9
87.88187	1.9
91.71625	2.9
111.84209	1.9
150.68025	1.9
232.52258	2.3
333.08044	3.4
469.20401	100.0
479.61337	2.7
486.35635	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	469.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87519	2.0
65.23830	1.7
71.04128	1.9
71.04983	4.8
81.07051	3.4
86.09669	2.3
91.05453	2.2
91.68799	2.1
115.03978	2.0
120.64263	2.2
243.32793	2.0
277.14178	3.1
439.19458	11.7
469.20410	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2039
Annotation	Trp Thr Tyr
Peak:m/z	Relative Intensity
54.39242	1.9
56.15244	1.9
57.03391	2.5
59.78101	2.0
59.90894	2.2
66.19897	2.4
70.06590	4.5
71.04951	3.7
85.02852	3.5
95.04890	2.8
122.01892	2.5
161.04211	2.5
188.20634	2.6
219.76367	2.4
223.27429	2.6
223.29823	2.5
250.55321	2.9
290.57376	2.7
316.25394	2.7
386.30975	2.9
439.19275	9.0
469.20380	100.0
470.20450	3.9
493.84485	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	469.2044
Annotation	Trp Thr Tyr
Peak:m/z	Relative Intensity
51.30133	1.5
51.80226	1.6
52.45508	1.9
54.45941	1.7
55.41742	1.7
56.70741	1.9
65.07181	1.9
70.06599	5.2
84.04527	2.7
93.71716	2.1
99.33997	2.2
160.57071	2.2
469.20450	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
68.40772	1.4
79.43324	1.6
85.02905	3.5
101.04089	1.5
105.07001	1.3
107.00665	1.6
121.73962	1.4
137.05960	2.2
157.52725	1.7
194.65756	1.5
250.29280	1.6
307.15182	19.7
469.20422	100.0
470.20361	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	469.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47100	1.1
59.88428	1.1
65.59918	1.0
79.72839	1.0
82.26656	1.1
91.05501	1.4
93.07030	5.6
95.04956	1.3
103.47827	1.3
110.12006	1.2
113.58939	1.4
114.12757	1.3
137.05998	2.4
139.03882	8.2
151.03899	5.6
163.03824	1.9
169.04999	2.4
203.05428	1.5
275.07535	1.9
301.10703	1.9
319.08090	9.2
335.09402	9.7
337.16165	2.0
469.20401	100.0
470.20956	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	469.2043
Annotation	Trp Thr Tyr
Peak:m/z	Relative Intensity
62.94782	1.0
65.03896	1.0
66.60995	1.1
80.27573	1.2
87.65359	1.2
91.71630	2.7
112.46284	1.3
118.72196	1.4
123.04421	1.9
137.06006	1.5
151.03947	2.4
161.87021	1.4
182.26517	1.4
226.25168	1.3
278.07239	1.3
289.14203	2.3
307.15109	35.3
394.92712	1.5
469.20416	100.0
470.21469	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22091	3.6
54.04396	3.8
57.07052	5.8
60.04506	14.3
60.98167	4.1
61.04047	4.6
66.26853	3.8
71.53128	4.2
73.78839	5.2
74.88847	4.3
89.03973	5.8
95.08610	20.0
107.04987	4.2
111.04245	5.2
111.08051	6.7
131.08521	5.2
157.10120	7.0
169.10146	7.6
173.09615	7.3
185.09538	8.1
187.11186	5.7
225.12756	7.7
227.10645	6.0
227.14265	7.9
243.13947	6.7
246.29247	5.1
247.98288	7.1
249.07539	13.9
250.59843	5.8
251.50298	5.3
253.12152	10.3
255.13754	10.8
265.11877	6.1
281.11832	11.3
283.13293	9.7
299.12729	16.3
317.13907	10.0
327.12387	11.4
335.14685	7.5
345.13315	20.4
345.34067	6.2
363.14389	8.6
409.14728	43.8
427.15906	100.0
428.15219	7.1
431.90356	6.0
472.26080	6.3
484.52957	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	469.256
Annotation	Phe Arg Phe
Peak:m/z	Relative Intensity
50.62252	2.0
54.93430	2.4
55.28233	2.7
61.09664	2.3
73.60558	2.5
81.05398	2.6
127.11079	2.8
133.61107	2.9
149.57414	2.9
213.17613	3.1
217.04716	4.8
272.14615	3.2
273.90186	3.2
275.19827	16.4
285.51047	3.1
321.44284	3.3
322.27188	3.6
362.04269	3.4
469.25568	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	4.3
57.07025	2.4
60.89952	2.7
60.90303	3.0
65.51665	2.4
66.54305	3.1
81.07059	5.6
91.71464	9.6
93.07045	3.4
95.08592	4.1
97.31212	2.8
98.92046	3.0
107.43658	2.7
121.10113	3.5
134.63309	3.2
138.11868	3.3
139.05338	3.2
177.05530	4.6
207.78162	3.8
309.16809	3.1
312.52551	3.2
354.92059	3.5
358.20441	5.3
399.23148	4.2
409.25845	16.5
467.39395	4.4
469.27698	100.0
470.27100	4.0
470.86639	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	469.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27832	2.3
67.05487	4.1
67.42146	2.4
81.07046	4.9
88.04662	2.9
95.08567	2.9
114.71729	2.9
119.96920	2.8
185.47446	3.0
270.10446	3.7
335.18893	4.1
338.79959	3.4
358.20532	7.5
409.25797	16.8
415.13361	3.5
427.15231	5.3
469.27716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74369	4.9
55.05506	57.1
57.07061	12.1
58.09706	5.7
60.71975	5.3
65.03936	14.8
66.35047	4.8
67.05499	75.8
69.03396	6.8
69.07065	100.0
77.16547	7.4
79.05502	12.5
81.07045	90.6
83.04984	31.7
83.08607	46.3
86.09701	23.2
91.05470	17.7
93.03385	13.7
93.07021	30.9
95.04957	96.5
95.08595	57.8
97.10175	51.7
99.08127	7.2
105.07043	16.6
107.08587	21.9
108.20958	5.4
109.10153	31.6
111.04446	21.1
111.08047	8.9
111.11705	20.9
119.08591	18.2
121.02869	76.8
121.10166	24.5
123.11707	16.2
133.10072	12.3
135.11674	25.6
137.13286	8.7
139.03917	70.8
147.11708	16.0
151.11203	10.0
151.14879	7.5
153.12740	6.7
157.05009	7.9
161.13272	9.3
165.12740	8.0
217.19569	22.8
235.20557	25.6
253.21637	9.1
275.62427	7.1
427.16031	11.7
469.42444	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	469.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	53.5
57.07064	55.0
59.28605	35.0
67.05516	58.7
69.07058	56.8
71.57497	54.3
81.07076	57.2
83.04983	46.7
83.08620	76.0
83.91937	45.7
91.05521	77.7
91.71017	86.1
93.07065	100.0
95.04960	51.6
95.08601	54.3
98.14983	41.2
98.98466	58.3
105.07041	65.3
107.08619	70.3
108.08064	52.8
109.10183	52.5
119.08566	42.6
131.08650	48.6
135.55850	38.7
145.10214	50.0
163.11182	48.4
203.86758	39.4
205.12198	99.1
211.38142	54.2
231.15199	44.9
427.16406	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	469.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	52.6
57.07061	25.7
67.05489	55.5
69.03402	16.9
69.07068	16.6
79.05476	23.5
81.07043	49.0
83.04978	37.4
83.08617	24.4
91.05474	32.1
91.71773	20.2
93.07006	43.5
95.04974	25.2
95.08591	28.9
96.01038	19.4
98.98447	23.3
107.08569	24.1
109.06522	22.6
109.10142	59.7
119.08578	36.0
121.10149	30.5
131.08533	32.0
133.10118	28.2
133.51625	19.7
135.08008	25.6
135.11688	23.5
145.10181	42.8
147.07895	18.9
157.10390	20.5
159.11707	23.6
162.20029	19.0
163.11182	34.3
191.10757	18.1
205.12259	70.2
229.12257	18.3
259.16983	100.0
380.51108	27.1
409.15085	26.8
427.15765	22.1
433.30981	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	35.7
55.65609	6.3
57.07060	13.6
59.04981	16.1
67.05486	21.6
69.03400	7.4
69.07053	19.7
79.05510	11.4
80.29401	6.4
80.48411	8.1
81.07054	38.9
83.04975	29.7
83.08601	44.9
91.05486	38.8
91.71674	11.4
93.07040	45.1
95.04955	10.5
95.08610	31.2
105.07027	44.8
107.08581	24.8
109.06503	15.7
109.10117	42.5
109.45450	7.2
111.08066	18.5
119.08576	100.0
121.06482	8.9
121.10146	13.2
129.07050	13.2
131.08568	28.3
132.38731	7.9
133.10123	16.3
135.11679	10.9
137.05920	7.9
143.08488	7.9
145.10120	28.1
147.08061	10.1
147.11690	21.7
157.10115	16.2
159.08125	9.7
159.11717	14.9
161.09576	14.9
163.11252	8.9
184.23494	8.6
191.14232	10.3
201.16454	30.1
210.60660	8.8
219.13847	35.6
219.17462	35.2
233.15327	87.3
245.15376	12.4
259.16943	17.3
273.18411	12.8
376.46524	9.6
394.57214	8.6
402.11887	9.2
404.06372	8.1
433.31055	25.7
451.31958	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	470.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50951	0.8
55.02426	1.1
57.07025	1.0
58.99568	1.5
70.01011	0.9
70.06580	4.2
72.08131	1.1
76.02221	29.7
79.05459	1.2
84.04488	7.8
85.02899	3.0
86.09692	1.2
88.01623	1.0
91.05466	1.4
95.04941	1.6
103.05463	45.8
116.01682	6.6
121.10198	1.3
130.05043	4.1
131.04926	100.0
139.98190	1.1
142.03178	2.1
144.01147	3.4
162.02188	9.8
163.07535	28.8
179.04845	17.3
233.05952	4.9
245.05861	1.7
249.10248	1.3
281.30313	1.3
296.46051	1.3
308.09088	19.8
420.67508	1.2
476.82986	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	470.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64388	0.8
60.04519	1.0
62.06083	100.0
84.52855	0.9
100.80824	0.8
105.66805	0.8
113.09651	1.4
123.29741	0.9
135.22075	0.8
144.84639	0.8
338.56201	1.1
346.13696	1.8
410.15390	3.9
427.16040	3.1
428.16394	8.8
446.37360	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54985	6.8
57.53272	8.0
63.09882	8.1
64.44845	8.8
67.42584	8.2
67.43027	9.4
70.95853	8.2
80.72289	8.2
85.09550	10.8
88.78815	9.8
89.06038	11.8
90.60284	10.9
101.79963	8.5
108.05459	9.6
126.33443	11.1
183.44374	10.4
203.08812	9.3
206.97435	11.9
229.83784	10.8
309.42316	13.3
411.19370	13.6
429.20856	65.9
470.23483	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
53.59909	0.7
55.01857	1.5
55.05504	7.5
57.03422	5.6
57.07048	1.4
57.86971	0.7
58.41052	0.9
61.02915	7.3
67.05486	1.6
69.03416	17.2
69.07059	60.0
70.52631	0.7
71.04982	2.1
73.02911	2.9
73.22963	0.7
81.03417	8.3
81.07045	1.0
85.02896	100.0
85.73438	0.7
91.03938	2.8
93.07044	1.0
95.08600	1.0
97.02885	23.2
97.03484	1.7
99.04452	3.1
100.62105	0.8
109.02866	6.7
111.11715	20.9
127.03908	20.1
127.04782	1.4
134.00887	0.9
139.88739	0.8
141.28299	1.0
145.04955	27.3
163.06003	11.9
184.65747	0.8
204.08768	2.3
213.99426	0.9
238.39565	0.7
240.32457	0.8
249.92966	0.9
251.18549	0.9
254.34122	0.9
403.00995	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77246	3.3
53.86753	4.4
55.01842	5.6
57.03419	5.6
57.84357	4.6
64.08344	4.1
67.05498	33.5
67.81313	4.1
69.03423	12.6
69.07053	8.1
70.06581	80.0
71.04984	37.5
72.08148	16.5
79.05487	16.3
79.17348	4.5
79.58577	4.8
81.03400	7.0
81.07042	38.4
83.04967	5.9
84.04498	8.4
84.08120	13.0
85.02888	34.7
85.06535	15.4
86.09709	21.5
87.04449	4.9
91.05480	15.3
91.71639	5.4
93.07034	38.9
95.08613	32.8
97.06519	13.8
99.04411	13.1
99.08088	15.7
101.07086	4.9
105.06995	9.4
107.08611	10.5
109.10152	15.4
111.04429	6.1
111.08128	5.6
115.03913	6.6
119.08578	11.1
121.10181	25.0
123.08091	6.4
129.19550	4.8
131.08571	15.3
135.11667	7.9
139.07547	6.8
139.11189	18.0
147.07597	5.3
153.12677	6.2
157.12239	16.5
159.11736	20.1
183.11716	6.3
183.14992	14.8
211.14464	7.6
219.13785	15.9
237.14801	16.3
255.15897	17.9
263.75647	6.0
273.16907	100.0
470.20782	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	4.4
57.07081	25.9
69.07075	5.4
71.08623	51.7
73.06538	6.3
85.10183	26.9
89.06026	100.0
104.23618	4.0
130.08611	26.6
133.08597	50.2
135.10220	5.3
145.97205	4.7
177.11253	17.1
190.49100	5.0
212.20093	8.2
215.20038	9.7
240.01999	5.1
327.20294	11.0
348.71786	4.8
351.53418	4.8
453.34085	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	471.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57166	1.4
70.06607	2.5
71.57381	1.9
75.85786	2.0
85.02914	2.8
105.52213	2.4
120.08080	2.5
120.49303	2.0
141.40643	2.3
185.04247	9.6
204.48128	2.1
308.03009	6.8
309.03653	11.8
350.06415	3.3
404.25555	2.5
471.08960	100.0
472.09128	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	53.3
60.11023	6.7
63.18390	7.1
76.04836	6.9
84.96035	9.6
98.97558	12.9
116.98643	12.0
131.04944	20.9
135.04431	22.1
140.00089	9.0
158.01270	11.9
161.06039	9.7
178.29034	9.4
181.02895	10.2
197.01102	10.2
220.02771	14.5
243.04517	13.0
262.03705	10.5
302.06705	9.6
369.06522	14.8
381.06873	13.2
405.61710	8.9
452.10242	14.7
471.09579	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.147
Annotation	Unknow
Peak:m/z	Relative Intensity
77.94576	2.4
85.99777	2.5
94.21497	3.4
211.40977	3.5
232.72572	3.5
284.61169	3.4
343.50464	3.8
452.70313	3.7
471.14716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
62.75742	2.0
66.71906	1.8
79.23633	2.5
120.17348	2.3
124.52866	2.4
173.92136	2.6
317.08743	4.9
400.20142	2.7
471.14716	100.0
472.15091	3.5
490.34085	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	471.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64783	2.9
66.65969	3.0
70.44428	2.7
81.03391	5.4
88.13416	3.2
101.00885	4.6
119.01912	21.0
137.03012	5.1
142.03537	14.1
143.01860	7.2
146.19666	3.7
156.04964	3.5
157.03473	14.4
158.06758	3.8
161.02953	18.1
161.67253	3.6
165.05109	12.3
175.04504	5.1
180.05124	8.8
184.04504	19.0
185.03003	11.2
198.06073	8.7
203.03873	5.3
208.04532	8.0
210.06117	4.2
240.12830	4.4
277.07648	68.9
295.08658	33.8
318.10312	100.0
318.94943	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	471.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79520	2.4
55.21599	2.0
69.03443	3.6
80.96148	2.3
81.03414	2.8
91.05479	17.3
93.86517	2.7
95.04948	3.2
102.54032	2.7
103.05469	5.9
119.04931	30.6
122.03669	4.6
123.04418	43.6
123.05235	5.1
131.04942	11.7
135.62132	3.0
137.05968	100.0
139.03960	4.3
147.04416	7.2
149.05998	7.1
151.07521	37.2
160.07602	4.8
161.06065	3.7
165.05463	15.7
177.05482	31.0
181.08578	72.4
207.06508	4.2
329.10287	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	471.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80147	7.0
56.96556	58.8
61.52766	7.9
61.59458	8.1
71.56648	8.1
74.82608	8.4
81.07041	10.8
85.02914	13.8
92.43615	9.1
93.06998	10.7
95.08591	16.1
116.11324	8.9
131.04861	11.7
136.93164	10.3
154.35292	12.1
154.94182	30.7
172.95216	55.3
177.95811	25.0
190.96289	18.1
195.96713	47.5
213.97787	18.9
218.98477	42.6
251.99539	23.3
277.15338	10.6
307.15689	48.7
317.17953	50.3
325.16928	28.1
348.18448	100.0
358.20349	47.4
366.89041	14.3
389.21182	15.7
453.17096	43.7
471.18866	48.0
471.26746	75.2
494.19589	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35708	2.3
56.49881	2.5
61.02916	4.6
63.20428	2.3
65.03912	3.0
65.11237	2.5
67.44230	2.3
69.03419	18.1
70.06576	9.3
81.03388	3.2
81.07040	2.9
84.08112	2.9
85.02904	18.9
86.09716	4.5
97.02882	9.2
99.04460	4.0
100.90929	2.9
105.28865	2.8
109.02874	5.4
120.01778	3.0
124.07597	5.8
127.03958	4.5
132.02084	3.0
136.03932	3.1
137.02365	8.0
138.09132	39.9
140.07083	3.7
154.04980	8.4
154.08623	3.4
155.03471	4.1
172.06007	3.8
200.10716	5.1
201.34532	2.7
216.10211	9.0
227.08224	4.1
228.10243	8.8
231.11194	3.5
243.11221	5.9
245.12875	7.1
246.11157	5.7
255.11235	4.0
262.10651	6.8
273.12302	7.7
274.10703	8.1
291.13348	100.0
292.11636	30.4
454.17145	14.5
471.21957	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35708	2.3
56.49881	2.5
61.02916	4.6
63.20428	2.3
65.03912	3.0
65.11237	2.5
67.44230	2.3
69.03419	18.1
70.06576	9.3
81.03388	3.2
81.07040	2.9
84.08112	2.9
85.02904	18.9
86.09716	4.5
97.02882	9.2
99.04460	4.0
100.90929	2.9
105.28865	2.8
109.02874	5.4
120.01778	3.0
124.07597	5.8
127.03958	4.5
132.02084	3.0
136.03932	3.1
137.02365	8.0
138.09132	39.9
140.07083	3.7
154.04980	8.4
154.08623	3.4
155.03471	4.1
172.06007	3.8
200.10716	5.1
201.34532	2.7
216.10211	9.0
227.08224	4.1
228.10243	8.8
231.11194	3.5
243.11221	5.9
245.12875	7.1
246.11157	5.7
255.11235	4.0
262.10651	6.8
273.12302	7.7
274.10703	8.1
291.13348	100.0
292.11636	30.4
454.17145	14.5
471.21957	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	44.7
67.05491	15.8
70.13441	9.6
72.76223	8.6
81.07039	11.6
91.05469	11.0
94.89334	9.0
96.39788	9.4
135.37651	10.8
152.03374	9.1
172.95276	23.3
174.45598	12.5
180.24361	10.2
190.96313	13.1
195.96849	18.2
218.98460	17.0
257.45184	9.4
307.15698	49.6
318.54654	11.7
321.29593	10.9
325.16821	32.2
348.18436	100.0
358.20474	24.9
389.20990	30.5
453.16940	10.3
471.20834	51.4
471.27380	39.3
494.19476	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	471.22
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
89.89556	1.1
113.99543	1.3
117.29350	1.3
138.61862	1.4
229.46275	1.4
389.96857	1.8
471.22003	100.0
472.22208	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	471.2197
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
65.24249	2.3
67.95959	2.1
70.06573	2.9
72.08148	2.8
72.98720	1.9
81.60783	2.4
86.09692	6.9
96.59688	2.2
105.51107	2.7
116.07052	2.7
138.93623	3.1
139.69353	2.7
170.92168	2.4
175.18388	2.5
197.11453	19.2
203.05292	10.0
228.41226	3.0
291.15607	5.4
471.21964	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22812	1.8
69.56874	1.9
69.73412	1.8
81.07048	4.0
84.70737	2.3
90.59768	2.1
94.47460	2.0
95.08612	2.9
135.01843	2.4
184.37900	2.5
215.35335	2.3
246.71143	2.6
280.61380	2.5
335.09467	50.6
471.21954	100.0
497.66501	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	471.2201
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
50.52183	1.0
54.11689	1.2
57.07049	5.4
61.31216	1.3
80.37053	1.2
86.29650	1.2
105.17551	1.5
118.62922	1.2
162.24721	1.5
215.50900	1.5
386.49725	1.5
407.21738	2.3
408.22076	9.4
431.12985	2.5
438.85803	1.5
454.22531	2.6
471.21976	100.0
472.22415	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	471.2716
Annotation	Withaferin A
Peak:m/z	Relative Intensity
50.37500	2.4
61.68967	3.4
66.28734	3.0
78.09940	2.8
82.56469	3.6
90.13201	3.2
91.71767	3.7
96.54273	2.8
97.84949	3.4
110.64597	3.2
217.04852	12.4
263.39444	3.9
277.21442	12.8
471.27084	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80659	1.1
55.01850	1.3
55.05507	16.3
57.03410	1.2
57.07053	1.9
68.51202	1.3
69.03412	5.4
69.07056	1.6
70.06590	9.2
81.03394	2.8
82.06565	2.7
83.08604	14.6
84.04497	1.2
84.40858	1.3
85.02892	12.5
86.09693	7.5
89.57062	1.4
97.02908	3.2
98.09648	1.9
100.07600	4.9
100.11249	100.0
109.02903	1.2
109.10141	1.2
111.04429	7.6
112.07591	2.2
117.13894	2.4
120.45294	1.4
126.09157	1.6
127.03960	2.6
128.07066	5.4
138.44261	1.3
139.08629	1.6
140.07097	1.7
176.68065	1.3
182.15373	24.1
209.16483	12.2
210.14859	25.7
213.53365	1.5
226.19301	1.4
227.17531	2.7
228.15967	3.1
235.10713	1.6
241.79880	1.4
243.06500	1.7
244.07156	1.3
245.18617	2.8
271.16574	1.4
326.28094	1.7
343.30606	2.2
352.36765	1.6
439.15375	1.6
453.34329	1.7
471.21518	5.7
471.35367	83.4
472.35986	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
73.64833	1.5
80.16164	1.6
82.18145	1.8
86.20947	2.0
125.54026	1.8
149.72539	2.0
173.61302	1.9
471.36551	100.0
472.36069	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
69.96348	1.6
84.09624	1.5
89.26932	1.5
91.71616	2.6
101.78017	1.6
103.56255	2.2
130.53366	1.6
167.14565	2.0
280.53729	2.1
471.36536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54338	0.3
52.66387	0.3
59.06728	0.4
62.06080	4.9
63.77933	0.3
69.31672	0.3
76.62476	0.3
85.02927	0.4
91.05508	0.9
103.33059	0.3
119.04932	1.7
147.04385	7.2
162.42987	0.4
172.62424	0.4
179.87143	0.4
187.27229	0.3
215.18361	0.4
245.01373	0.4
288.36774	0.4
387.87827	0.4
431.13083	100.0
432.13312	1.4
472.15616	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	472.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	1.9
57.07060	9.7
59.97919	2.0
69.03414	3.1
81.07056	2.7
90.87029	2.6
93.07016	3.2
98.19672	2.1
99.04399	2.2
111.08060	4.6
121.89697	2.4
127.03983	3.2
141.47990	2.2
145.06512	2.5
149.02417	2.6
150.39644	2.3
161.05968	2.5
163.07619	2.9
170.78239	2.3
173.05954	3.2
173.13167	2.9
201.05537	4.8
201.12802	2.5
207.10214	3.3
219.06459	4.1
229.12416	3.2
247.06052	3.9
247.13348	3.2
257.11789	5.1
275.05539	2.7
275.08954	4.9
275.12808	2.6
285.11255	5.2
294.38519	2.6
313.10812	2.6
345.13428	2.9
363.14243	3.0
391.13647	11.6
431.13095	100.0
437.14481	7.0
441.13333	3.0
455.15680	6.7
471.21771	3.7
472.07794	2.7
472.16373	11.1
472.23535	17.1
473.16306	14.6
496.17761	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65334	1.3
55.82193	1.1
55.98589	1.3
57.07073	9.0
65.12594	1.1
69.94212	1.2
78.83591	1.1
85.06535	4.6
86.69940	1.2
91.05470	2.3
105.07014	1.4
115.05462	1.6
127.21049	1.5
129.06998	3.9
131.08542	7.1
133.06512	3.2
141.07001	5.7
144.05679	3.9
147.08112	2.1
157.06549	4.0
159.08038	18.3
160.28864	1.7
172.20363	1.7
175.07562	5.0
185.05969	53.5
189.05476	1.9
202.70917	1.5
203.07011	53.2
218.76985	1.6
235.25269	1.9
244.09714	2.0
245.11708	100.0
246.12114	2.3
266.67337	1.4
431.13232	2.4
436.26398	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	472.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88494	0.8
52.98386	1.3
53.37455	0.9
55.46969	1.0
57.07067	8.6
59.50459	1.0
59.87798	1.0
85.06552	4.2
91.05504	4.1
105.07066	2.0
106.88826	1.0
111.73908	1.3
115.05449	1.8
116.06349	1.1
119.08620	1.3
125.93500	1.1
128.06226	2.0
129.07056	3.8
131.08524	5.6
133.06523	2.0
141.06999	6.1
144.05751	5.0
147.08128	2.9
157.06557	3.3
159.08040	21.4
159.09218	1.4
161.06033	2.4
168.17113	1.3
175.07587	3.6
184.20164	1.3
185.05966	61.4
189.05557	2.6
203.07018	60.7
228.19138	1.3
244.09790	1.7
245.11705	100.0
246.12184	2.3
263.88715	1.3
269.71613	1.5
431.13086	1.5
464.01889	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62994	2.7
57.07054	11.9
62.44989	3.0
62.94868	3.3
67.05490	3.5
85.06545	5.3
116.82419	4.7
131.08527	4.1
141.06934	6.3
144.05647	8.0
159.08070	22.1
175.07518	6.9
185.05978	49.3
192.48842	3.6
203.07018	58.4
245.11707	100.0
246.77361	4.2
330.48550	4.4
456.49921	4.3
464.91315	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	472.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10917	1.2
60.45197	1.4
67.05501	8.7
68.30208	1.3
69.07056	3.8
70.06585	100.0
81.07044	15.6
85.02909	1.9
95.05012	5.5
95.08622	5.2
112.07611	8.2
116.09901	1.5
126.87421	1.7
126.89513	1.5
134.93712	1.7
137.13210	1.4
140.53897	1.5
147.04491	2.4
153.01927	1.5
154.02129	1.7
219.17407	1.6
224.10114	3.3
274.12949	3.0
292.14063	7.6
295.30490	1.7
303.05078	3.4
336.12811	8.6
472.22391	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	472.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41684	1.3
55.05488	8.1
70.06241	3.0
70.06589	43.6
72.08150	100.0
84.04504	2.8
84.08119	4.5
86.06043	6.0
86.09689	5.8
112.08726	4.5
114.05519	6.5
115.08696	3.8
129.10268	4.0
130.08635	11.1
142.09747	5.9
143.11786	12.3
155.08124	2.1
172.10786	17.7
185.09192	11.3
186.93945	1.7
229.15477	2.8
256.16736	2.1
271.17560	2.8
284.15793	2.6
284.27054	1.9
293.70883	1.8
308.80609	2.0
366.50232	2.3
414.13113	2.0
472.28699	78.0
473.28778	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	7.1
55.05500	18.2
58.49065	7.0
60.04524	14.6
60.62153	7.4
65.31129	6.9
67.05496	51.5
69.07047	16.8
70.06579	17.7
79.05496	10.9
81.07038	52.7
83.08645	7.2
84.00121	9.2
84.08144	8.9
93.07038	12.5
95.08602	52.9
95.95769	7.4
107.08575	13.5
109.10176	12.6
111.00775	42.3
121.10118	13.9
128.03479	7.7
130.36917	8.2
149.02350	24.9
160.87646	9.3
199.04773	7.9
280.26407	15.1
308.29709	10.1
436.26758	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45222	4.5
54.78574	4.5
57.03419	7.6
58.06594	37.8
59.07357	7.7
60.08132	11.5
60.80639	4.7
65.80672	4.5
69.41435	4.3
105.79208	5.6
135.74402	5.4
144.10190	10.0
236.14929	100.0
309.88947	5.8
311.83835	6.5
328.89096	6.6
331.85654	6.0
348.19080	7.0
431.12839	15.4
454.35153	23.9
472.36270	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	473.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70613	12.9
56.14432	11.1
57.07076	53.8
57.91896	11.5
69.03427	15.9
79.35416	12.8
82.75657	15.3
82.76138	12.6
83.01314	17.7
83.49409	14.4
91.05490	19.4
100.85421	13.3
105.07082	21.0
123.04468	15.2
135.04575	16.6
137.06010	21.1
139.03970	30.7
140.04749	17.3
147.04500	28.7
149.02409	14.7
149.05959	22.3
151.03897	34.1
177.05435	98.9
183.82095	16.3
189.05428	19.5
195.02959	60.3
201.05530	26.7
203.07094	26.1
205.05029	64.2
233.04478	24.3
239.00760	15.4
251.05521	30.2
268.08594	33.5
316.13150	16.5
319.08273	39.4
325.05487	100.0
395.13339	20.7
399.74817	18.3
404.24655	16.7
441.13647	73.8
459.15067	63.8
473.20697	20.1
482.16354	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62135	3.8
51.71609	3.1
70.06579	4.8
78.84015	5.1
81.49139	4.2
86.09698	27.7
125.81020	4.1
128.68823	4.6
150.09409	4.7
224.23181	5.0
247.01111	5.5
249.40437	5.3
261.38568	5.5
473.17706	100.0
473.23560	8.5
477.15005	5.3
483.53110	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	473.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30094	5.1
52.23927	5.4
54.30386	5.6
56.96568	6.1
57.99372	5.7
59.98149	5.4
69.07053	6.0
70.06577	30.0
72.08150	48.5
73.61593	6.3
76.35069	6.2
78.10870	6.0
79.05440	7.2
83.06070	8.1
83.80579	7.3
84.04493	29.2
85.02905	8.7
86.09692	100.0
86.70461	6.3
87.08588	6.1
90.39481	6.0
92.59114	6.6
97.02905	7.9
101.92057	6.5
102.05508	7.8
107.04935	17.4
120.08112	7.9
129.10326	8.7
140.00214	6.9
158.49139	7.4
229.11844	6.9
243.13338	7.4
244.40323	7.4
245.18671	7.8
281.68237	7.6
295.77811	6.4
298.21390	7.4
305.47433	10.3
311.18774	7.1
319.90649	7.5
418.86200	9.4
473.17575	63.8
473.24097	87.6
473.30850	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	473.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	25.5
69.07057	7.7
69.35603	5.2
70.06591	42.9
72.08157	33.7
74.80803	5.1
84.04491	17.5
86.09700	76.4
95.08547	6.4
114.68606	6.2
116.63154	6.5
164.11998	6.0
165.36490	6.6
180.10867	6.0
192.66689	6.8
196.02844	9.8
214.03992	6.1
243.13426	7.3
293.10522	10.1
334.13348	11.7
473.17368	100.0
473.23340	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	28.1
60.00225	11.3
64.72057	9.8
67.05488	20.1
81.07054	31.7
93.07000	12.8
95.08644	12.2
146.45352	12.8
154.94176	47.0
172.95210	79.3
175.83836	14.2
177.95764	35.2
190.96335	34.3
195.96840	92.3
213.97975	18.3
218.96516	14.1
218.98334	77.0
228.97870	30.0
233.98422	34.2
237.09624	15.2
239.75920	12.7
251.99564	37.6
263.76099	13.0
275.01068	22.7
316.09250	13.7
360.22131	45.7
390.52161	15.6
473.19919	60.2
487.42764	17.3
496.21176	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80548	0.6
55.80883	0.7
56.05028	1.5
57.07064	1.0
57.94149	0.6
70.06583	4.0
72.08144	3.3
83.06098	7.5
84.04494	1.9
84.08138	3.2
86.09700	3.8
88.03957	0.9
93.04514	5.0
110.07160	100.0
110.53354	0.9
119.67876	0.8
120.08092	3.2
121.04004	1.2
138.08997	1.0
143.13046	0.9
159.15231	0.8
175.69296	0.8
183.11253	1.4
200.14217	0.9
223.12096	0.8
233.10449	1.2
251.11366	16.6
257.13989	1.7
285.13409	1.5
289.05731	0.9
309.99420	0.9
323.90158	0.9
360.16638	2.5
369.54028	0.8
398.18115	2.8
455.20352	1.7
473.21277	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	473.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40227	11.6
53.15373	12.5
54.81855	15.0
63.03605	12.6
67.11064	14.2
104.33713	14.2
112.70465	15.7
225.12640	16.8
269.40735	16.2
361.10080	20.7
364.20755	19.9
473.23672	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	28.9
57.03438	19.1
64.52805	7.6
66.71767	7.9
67.05489	71.9
68.63801	6.9
69.07075	41.0
75.53016	7.4
78.72358	9.0
79.05527	26.9
81.03387	8.3
81.07041	100.0
83.08620	31.2
85.06526	12.9
91.05512	25.8
93.07029	52.0
95.05035	9.5
95.08589	84.7
96.48526	8.1
97.10191	19.5
105.07060	12.1
107.08618	31.7
109.10203	39.9
119.08625	10.1
121.10175	30.3
123.11784	10.0
133.10175	18.7
135.11760	33.3
142.25987	11.2
217.19728	17.7
235.20662	38.6
253.21637	13.3
303.40842	12.4
321.20718	25.1
339.21744	27.4
413.25470	19.7
473.25525	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	473.2874
Annotation	Val Gln Ala Arg
Peak:m/z	Relative Intensity
69.34749	2.8
73.69557	2.8
75.03310	2.8
81.69640	3.0
83.13171	2.7
90.62529	2.5
95.20193	2.9
95.80900	2.6
96.58678	2.8
102.04813	3.1
109.50938	3.3
126.15815	3.9
127.48734	3.6
132.46983	3.1
202.87889	3.6
217.04694	22.4
279.22983	6.5
455.23941	7.1
473.22095	6.3
473.28705	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39639	1.0
53.74199	1.2
54.09339	1.0
55.05495	1.5
65.04432	1.0
66.37185	1.2
67.05477	1.9
67.89349	1.1
69.07047	1.3
81.07057	1.4
82.08677	1.2
87.48216	1.3
89.03899	8.8
91.05481	1.9
91.71647	2.5
93.07021	1.6
95.08587	2.1
104.09832	1.4
117.03381	18.1
134.03635	1.9
134.17537	1.7
135.04387	2.5
137.05974	1.7
145.02824	30.2
149.06015	8.1
158.05969	7.0
175.07535	1.6
177.05450	100.0
179.06958	1.7
186.05490	26.6
187.07549	3.3
189.09055	2.0
201.09175	2.9
228.20395	1.5
294.53745	1.8
333.15701	1.4
455.27643	2.0
473.29056	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	473.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07597	0.9
53.29865	1.1
55.05500	1.2
56.02810	0.9
63.02388	1.2
67.05491	1.9
69.73268	1.1
81.07043	2.5
88.10614	0.9
89.03913	8.3
91.05492	1.5
93.07018	2.0
98.29768	1.1
109.05636	1.4
117.03375	19.1
134.03632	1.9
137.05980	2.6
139.54121	1.1
145.02841	27.2
145.03955	1.8
149.05969	10.1
158.06017	7.8
163.03914	1.4
167.42194	1.1
177.05453	100.0
178.05875	1.1
186.05487	25.6
187.05962	1.6
187.07672	1.3
189.09117	1.3
193.87149	1.1
201.09064	2.3
204.30621	1.2
215.10713	1.7
244.58563	1.3
319.18149	1.2
437.26605	1.5
455.27969	2.5
473.29089	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16824	0.6
56.22878	0.8
58.64441	0.7
59.39022	0.7
65.02843	0.7
65.38294	0.7
65.50275	0.7
68.30380	0.7
69.07055	4.3
70.06599	4.0
70.06900	0.8
71.03272	0.8
72.08142	1.3
79.05472	0.7
86.09697	100.0
87.30676	0.7
88.03996	1.7
88.57372	0.9
109.54285	0.8
120.08075	0.9
132.10210	3.3
141.10263	1.1
187.10823	1.0
199.18042	23.5
201.12358	2.8
212.09300	0.8
213.12294	1.1
227.17525	10.8
229.11873	2.8
247.12836	8.7
275.65402	0.9
295.58121	0.8
307.96829	0.8
342.20151	2.9
360.22098	0.9
473.23471	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13030	1.8
54.21186	2.0
54.34456	1.8
57.07065	13.8
66.77409	2.1
72.64051	2.0
77.62501	1.9
81.00789	2.6
84.32676	2.7
89.15430	2.1
92.73518	2.0
95.72818	2.3
99.28288	2.2
103.91162	2.5
111.03392	2.8
173.03569	5.2
194.11452	2.6
249.06747	22.8
305.12967	14.5
361.19260	24.8
417.25470	14.3
473.30054	100.0
474.30325	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	473.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86052	2.9
55.73334	3.2
55.86697	2.6
77.06503	3.5
83.34422	3.2
108.43620	3.8
142.69583	3.8
473.29926	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
60.51826	4.2
77.32944	4.5
87.68332	5.0
110.58208	5.0
121.37990	5.3
144.84842	5.4
162.02188	4.7
221.33948	6.0
236.09871	5.9
473.29837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53829	2.7
61.82804	3.2
70.17882	3.1
74.11278	3.0
91.71703	3.2
147.07912	3.6
184.27907	3.6
408.24707	3.9
473.30011	100.0
474.30615	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	473.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20827	2.0
61.81203	2.3
76.16992	2.0
91.60570	2.2
117.34792	2.5
136.11737	2.5
226.85338	2.7
242.11845	2.7
245.75800	2.5
356.72415	2.6
473.34387	100.0
474.34964	3.8
491.37292	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63369	1.1
59.88565	1.2
61.74120	1.2
85.45124	1.2
179.10446	1.3
185.74509	1.2
193.10033	1.3
293.65701	1.6
294.88690	1.3
473.34445	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41992	1.6
51.37321	1.5
54.59390	1.8
56.02073	2.1
81.43756	2.0
86.46414	1.9
88.67860	2.1
91.71696	3.9
93.55884	1.9
108.29990	2.3
124.89695	2.1
177.05479	3.0
291.38382	2.3
396.62210	2.9
473.34421	100.0
473.41272	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	474.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35158	7.6
56.96560	10.4
57.07069	62.8
57.72033	7.5
57.75039	7.0
61.59557	7.0
62.41180	7.5
68.42333	7.5
69.03442	14.6
70.86954	7.0
75.85912	9.2
81.49338	8.4
98.97577	8.8
103.54327	9.6
111.08066	32.1
128.34239	9.0
137.04962	8.6
163.07568	9.4
176.35385	9.6
189.05414	14.9
199.03918	14.3
211.11029	11.0
217.04974	25.3
227.10585	17.5
229.12219	11.9
235.06093	16.5
239.10725	12.7
245.04584	17.2
255.10190	18.9
273.11087	57.4
283.09753	21.9
301.10782	19.6
318.31641	11.2
319.11716	18.6
329.09967	16.8
347.11102	19.3
365.12326	32.9
393.11777	100.0
411.12775	54.4
434.14581	51.5
439.12411	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	8.7
57.07064	56.1
61.36391	4.7
69.03434	9.2
72.08158	5.1
91.05480	4.4
95.08595	7.5
105.07018	5.2
111.08069	20.1
111.25072	5.5
113.02396	4.7
117.07009	5.7
133.06377	5.3
138.71103	5.8
161.05983	6.5
173.05992	6.8
187.07576	6.8
189.05411	16.0
199.03908	11.5
199.11174	5.5
201.05424	6.0
203.03531	6.1
203.24866	5.8
207.06477	6.0
209.09550	5.1
211.11143	10.2
217.04968	22.5
227.03386	7.1
229.12302	6.0
235.05853	5.4
245.04523	10.9
245.11726	10.9
255.10184	16.6
257.11844	8.6
267.10358	7.0
273.03854	7.7
273.11292	21.1
283.09576	10.4
291.12247	10.1
293.07874	5.7
301.10751	11.4
311.09241	6.5
319.11688	16.5
329.10284	14.4
347.11188	15.2
365.12402	29.1
375.10431	7.8
393.11761	100.0
411.12781	59.3
434.14349	35.8
439.12277	43.8
457.13431	7.6
474.20920	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	474.2122
Annotation	Fiscalin A
Peak:m/z	Relative Intensity
52.76906	1.9
57.07063	3.0
65.18334	2.8
74.22047	2.4
76.74849	3.1
92.79373	2.5
101.28414	2.7
122.70341	2.8
136.07584	10.3
155.34906	3.0
155.98747	3.1
164.05658	5.6
164.07042	100.0
165.07854	59.8
165.09155	5.7
167.07053	7.3
179.09418	29.4
180.10173	57.2
219.34764	3.3
247.93626	3.0
270.70557	3.0
428.20651	3.7
474.21310	72.7
477.65329	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	474.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
61.32816	0.7
69.07068	4.2
85.02894	1.6
86.09695	100.0
106.31723	0.8
125.68832	0.8
132.10190	61.3
133.10512	1.1
150.07739	2.8
189.88292	0.9
207.60468	0.8
215.78246	0.8
222.73647	0.9
243.12939	0.9
467.48260	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40176	1.2
51.45749	1.2
52.04252	1.2
54.64904	1.1
55.05274	1.3
55.05504	7.3
56.05017	1.8
57.74380	1.2
61.85041	1.3
65.23102	1.4
69.07042	1.9
70.06585	9.9
72.08147	100.0
77.94395	1.2
84.04498	12.7
84.08128	10.4
85.02899	1.7
86.09699	23.8
86.95702	1.5
90.05544	3.0
101.07145	2.4
102.05533	7.7
111.38379	1.4
116.07114	2.7
129.10245	6.3
130.05002	4.1
144.10194	2.3
147.07649	9.2
157.09734	4.6
161.12877	1.9
168.86769	1.6
171.06229	1.6
172.25269	1.6
183.11264	3.4
187.10805	1.8
201.12357	13.1
225.97318	1.6
229.11806	17.0
246.14398	10.8
350.18945	1.7
474.28949	3.6
475.21506	1.8
499.61478	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71683	2.8
57.81278	3.3
59.80837	3.5
73.04756	3.4
75.03008	3.5
77.00585	10.1
79.26047	3.2
89.06003	10.0
91.05767	3.8
95.01624	46.6
105.47609	4.2
114.07355	16.6
118.03205	100.0
124.20478	3.8
132.45508	4.1
145.06773	23.6
147.04701	27.5
149.20799	4.0
165.05937	3.7
169.03389	4.4
188.07162	4.4
189.09401	83.4
205.24323	5.2
212.27745	4.4
235.09982	6.5
277.14661	42.9
310.62946	5.7
491.53479	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	474.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	4.5
58.06604	2.8
59.80898	1.3
69.07050	6.8
70.06584	10.5
72.08142	6.6
74.06071	18.1
84.04495	19.7
84.08121	6.9
86.09698	100.0
91.57386	1.4
101.07154	3.6
102.05606	1.8
119.08186	3.6
129.10240	4.8
130.04997	20.9
130.29315	1.4
136.06096	1.9
139.03929	1.5
147.07629	24.7
161.01762	1.7
170.04504	6.4
173.97614	1.5
199.18092	9.2
213.08760	2.8
227.17548	5.8
228.17093	2.1
230.11491	2.1
231.09753	3.9
248.12399	36.1
304.09402	1.6
328.22379	3.2
456.28110	3.0
474.29950	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	475.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48427	1.3
58.18358	1.6
60.39161	1.3
63.95203	1.6
66.57925	1.4
85.11626	1.9
91.71604	1.6
118.10045	1.7
124.16367	1.9
256.36188	2.1
301.60974	2.1
363.08908	23.5
430.72177	2.1
475.21460	100.0
476.21912	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	475.2148
Annotation	SILDENAFIL
Peak:m/z	Relative Intensity
82.49142	1.2
95.58549	1.3
96.30389	1.4
107.07829	1.4
112.68650	1.2
115.68494	1.4
116.68970	1.5
148.38419	1.4
175.68707	1.6
363.08972	22.9
365.10477	2.8
475.21484	100.0
476.22290	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	475.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.5
54.38250	2.4
67.05539	3.0
69.03426	17.0
69.68430	2.7
70.06584	7.0
71.04991	7.7
72.08144	16.1
73.02895	3.1
76.02226	5.0
77.52721	3.2
81.03427	10.4
83.04993	3.8
85.02902	38.7
85.06544	4.4
86.09697	34.2
86.10135	3.0
91.05499	7.8
93.07067	10.3
95.04942	3.0
95.08607	6.4
95.54299	3.3
97.02925	9.8
97.06519	4.2
99.04480	5.6
105.01896	13.5
105.07057	10.3
107.08624	11.5
109.02909	7.5
119.08647	3.6
121.02814	3.8
121.10197	9.4
127.03927	19.3
131.08612	10.7
133.06500	8.0
133.10133	100.0
133.11113	6.2
135.11711	7.1
145.04875	5.9
145.10178	5.1
149.13336	3.8
158.96880	3.7
162.02248	3.2
163.14845	6.0
169.10634	3.2
170.37767	3.5
173.13269	30.8
174.13846	3.6
185.16499	5.6
191.14288	30.0
209.15456	14.5
209.56741	3.1
227.16472	4.7
263.14355	4.9
475.21573	9.2
475.32608	28.8
477.20499	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	475.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	11.4
69.95682	1.9
72.98212	2.1
85.06552	4.6
91.70988	3.4
91.92426	2.3
97.63145	2.3
107.49642	2.0
131.08665	2.1
145.06485	2.2
159.08098	6.6
161.05960	100.0
187.07614	10.6
230.13026	4.6
231.13863	5.4
245.12012	3.5
383.62158	2.9
408.34280	2.9
475.24896	10.8
475.32639	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	475.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26472	3.2
57.07069	100.0
59.93127	3.1
66.10486	3.7
67.47315	4.0
73.32015	3.1
76.01686	3.5
77.04319	3.6
85.06537	31.1
88.74339	3.5
105.07020	4.8
122.23107	4.1
159.08026	4.9
161.06026	4.7
165.06993	5.3
171.08020	5.4
195.08078	4.1
209.06114	4.9
211.07684	8.9
224.08363	18.5
225.09088	9.7
235.07420	8.1
239.04915	4.8
246.10400	7.3
251.07185	4.6
252.07785	7.3
257.11780	7.8
261.12778	5.4
261.55460	4.6
267.13754	70.4
278.13089	11.2
279.13879	9.4
289.12158	10.0
291.10199	7.0
295.13315	14.0
301.12231	6.5
309.14941	5.0
315.10175	16.0
329.11636	8.7
351.19577	22.9
352.20172	6.4
355.17102	6.1
357.14941	10.1
358.15784	31.1
363.19400	19.2
372.17294	11.2
373.18085	36.6
375.15997	9.1
379.18997	11.3
429.24213	5.5
457.23419	11.9
475.24969	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	475.3055
Annotation	Methyl lucidenate Q
Peak:m/z	Relative Intensity
57.07083	1.8
58.26623	1.5
61.68011	1.6
66.68913	1.5
89.03944	8.6
91.05498	3.2
91.71781	2.1
98.42542	1.8
112.33317	1.7
117.03358	15.4
121.02870	4.8
130.06635	1.9
135.04443	2.6
145.02826	29.4
149.06038	5.4
158.06058	6.1
177.05455	100.0
186.05475	29.0
194.11523	31.1
205.02063	2.1
238.22118	2.0
245.11984	2.1
251.04886	2.4
256.10422	2.5
287.91595	2.4
475.32785	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	476.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	20.5
62.76147	3.4
63.90452	3.5
67.05530	3.9
69.03407	11.8
70.88370	3.7
71.04968	8.9
72.54486	4.3
76.99314	4.5
84.01199	4.5
90.47983	4.5
91.05464	13.1
93.07043	5.1
95.08649	4.5
105.07017	13.3
107.08590	12.8
109.06525	16.3
119.08601	4.6
121.82267	4.4
123.04461	4.2
131.08578	5.3
133.06479	24.6
133.92487	4.5
145.06491	7.4
147.08087	5.2
149.02345	6.2
151.07541	12.0
153.05634	4.9
154.43361	4.6
159.08025	5.7
161.09624	10.4
163.03917	6.6
164.07100	6.7
173.06026	8.1
175.07500	8.7
187.07513	7.4
189.09103	6.7
191.07108	7.9
201.05486	7.0
209.04263	5.4
213.12753	7.1
219.06625	9.8
225.09122	6.5
233.08092	10.1
239.10725	7.5
241.12305	7.6
257.11761	6.4
267.10229	7.5
269.11905	5.3
285.11237	13.9
285.96964	5.4
303.51517	6.3
313.10773	11.1
317.10278	11.1
331.11829	16.0
341.10056	7.6
359.11237	12.8
377.12415	14.1
395.13367	19.2
423.12845	13.8
436.15936	16.7
441.13879	100.0
464.15686	12.3
476.17218	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	476.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43691	7.7
51.44566	8.1
57.07061	13.4
67.07552	7.9
69.08888	8.6
71.04996	7.3
79.05501	9.7
91.70994	10.0
96.13814	7.5
105.06974	9.6
109.06524	17.6
112.78296	9.0
123.66289	10.0
133.06451	22.7
161.09702	8.3
165.58919	9.6
178.15398	10.8
187.07500	16.3
189.09087	13.2
219.06631	13.8
239.10661	11.8
260.17154	11.9
289.74878	11.5
313.10727	19.1
377.12280	16.6
436.15747	12.1
441.13803	100.0
464.15384	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	476.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.5
56.05033	1.5
59.13069	1.1
60.04508	1.3
66.04443	1.1
69.03429	3.2
70.06583	2.8
71.04972	1.5
80.05008	1.4
81.03410	4.2
84.04497	18.2
85.78852	1.1
86.09712	1.5
87.29848	1.3
96.04483	17.4
97.02867	2.9
98.06036	8.5
99.04424	1.3
102.05550	7.2
109.02876	5.5
116.07077	7.4
126.05508	16.9
130.05026	5.8
136.25279	1.4
138.05493	100.0
144.06546	21.0
148.06038	29.3
148.07201	2.1
154.59135	1.3
168.06549	14.3
176.65154	1.4
186.07599	12.3
258.09659	1.7
291.11908	3.2
301.13916	19.5
314.39587	1.5
329.13489	14.0
405.10327	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32791	7.3
57.03417	28.6
57.31089	6.6
59.04965	7.4
59.63096	6.0
68.05904	7.2
69.03416	100.0
85.02906	73.8
87.04446	65.6
91.71063	13.7
97.02894	63.2
115.03908	94.5
126.52827	7.8
133.04944	75.5
165.09125	32.7
165.20821	8.0
221.10738	8.1
435.16519	9.4
469.97644	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	476.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	2.0
60.04517	4.6
61.02913	2.2
67.05517	5.4
69.03437	10.0
69.07086	3.0
70.06606	8.1
71.01350	3.1
72.08170	9.9
79.05495	2.7
81.03394	2.9
83.04980	20.6
84.04529	5.5
85.02898	30.3
85.03373	3.1
86.06071	5.8
86.09682	19.8
87.04476	7.2
87.10075	2.4
89.54313	2.4
95.04990	8.2
97.02900	5.0
97.60872	2.0
105.07041	16.2
107.04950	100.0
109.02878	4.1
111.04436	77.5
113.02401	9.0
116.07134	2.9
116.81181	2.3
120.08111	3.8
123.04424	2.7
123.08054	20.5
127.03912	2.8
129.05479	95.2
131.04999	2.7
131.08554	4.6
133.06491	99.3
142.34694	2.5
143.08707	2.6
147.06482	12.3
149.06027	3.1
156.09419	5.5
159.07996	2.5
161.09186	3.9
171.11726	4.2
175.07661	2.6
197.09656	2.4
199.11162	18.4
215.10762	5.8
217.12334	8.4
219.10042	2.9
222.94698	2.5
243.10162	4.1
245.14970	3.8
261.11182	40.4
279.12259	27.5
308.66556	2.5
332.26660	2.6
393.04599	2.9
430.23816	2.7
476.26349	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	476.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	37.1
61.22370	10.5
67.30871	10.1
71.11996	9.5
79.61902	10.4
85.06545	17.4
86.39616	11.0
87.70074	12.2
91.05477	15.6
108.89661	11.4
111.76739	10.7
119.04932	18.1
123.15847	13.7
124.13402	11.0
147.04440	18.1
153.05453	100.0
167.03343	93.1
173.61786	12.0
206.51076	14.6
208.61269	14.8
247.29832	15.7
249.14894	41.9
310.50037	14.4
317.25446	13.6
340.43826	12.9
411.17859	69.0
429.19019	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50221	0.7
55.05493	1.6
57.03199	0.8
57.03431	10.0
59.04991	1.1
62.54139	0.7
69.03417	1.7
71.04981	93.2
73.02901	2.4
75.04475	5.6
83.04969	9.4
85.02895	100.0
86.06060	3.7
87.04462	2.9
97.02889	3.8
98.06020	1.4
98.62630	1.1
99.04429	0.9
105.04372	1.0
109.06505	6.2
111.04443	3.1
117.42017	0.9
127.03897	3.1
129.05473	36.8
145.05019	2.0
147.06502	12.3
151.11195	4.1
153.05466	1.8
163.03882	1.5
163.11195	1.4
164.07085	1.1
164.09169	7.0
180.08731	1.0
188.09175	1.2
195.06540	0.9
274.58646	1.1
395.51328	0.9
435.16208	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	476.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06581	12.1
62.23422	5.7
69.03421	8.0
83.43802	5.9
85.02892	12.9
91.05476	16.5
101.54958	6.2
105.07030	27.1
117.06982	9.6
119.08563	15.6
131.08557	16.0
132.09343	6.9
133.10112	39.2
145.06540	8.0
147.08020	52.3
149.09576	40.7
161.09602	26.9
164.38982	6.8
179.72951	7.2
250.75926	8.5
251.14226	45.2
296.20041	11.3
422.24673	8.8
476.26465	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	20.3
58.38112	5.8
63.70917	6.6
71.08614	8.3
75.97199	7.2
79.09426	6.6
90.41724	6.9
91.71656	16.6
102.64749	7.2
113.60880	6.2
120.29019	9.2
120.96645	16.5
125.31345	7.7
313.27560	16.8
316.06628	8.7
326.72961	8.6
415.22308	21.2
433.23245	100.0
476.27393	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	476.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01379	1.9
54.91391	1.7
55.05512	11.5
57.03428	12.5
59.64962	1.8
64.30478	1.7
65.03940	2.1
67.05497	52.8
67.40628	2.0
67.78364	1.9
67.84437	2.2
69.07073	14.3
72.88494	2.0
74.12727	2.0
79.00723	2.0
79.05491	18.3
81.07045	45.6
83.08595	3.7
91.05486	10.0
93.07042	28.8
95.04960	3.5
95.08600	32.7
105.07042	7.5
107.08604	11.3
109.10148	11.4
115.74046	2.1
119.08575	4.0
121.10134	7.1
131.08560	4.4
135.11707	4.7
145.10129	2.5
147.11636	2.3
180.25252	2.5
206.14798	2.3
285.59323	2.4
322.63287	2.4
335.25778	100.0
336.26096	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	476.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	8.8
60.86748	9.1
62.06084	63.7
67.05493	74.9
69.07059	14.4
79.05485	23.9
81.07031	38.8
91.05457	18.2
93.07036	40.7
95.08592	35.7
100.58983	8.7
104.54409	9.7
107.08589	17.1
109.10176	20.9
121.10202	16.2
136.25151	10.0
145.10115	11.3
175.40665	10.7
304.26309	20.6
335.25867	100.0
420.56638	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.298
Annotation	Unknow
Peak:m/z	Relative Intensity
75.68845	1.8
79.05489	7.8
82.52985	1.7
91.05466	33.0
91.71667	1.8
95.04960	4.5
103.05467	8.8
105.07020	73.9
107.08592	4.3
110.41434	1.8
126.58887	1.7
133.06479	49.8
135.08044	100.0
138.89006	1.8
151.07500	16.6
181.58018	1.8
198.12737	22.9
279.17764	32.7
346.84396	2.0
441.61264	2.6
475.32526	4.4
476.33145	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	476.298
Annotation	Unknow
Peak:m/z	Relative Intensity
62.74367	1.5
62.78968	1.6
73.22064	1.9
79.05473	8.1
89.06029	2.4
91.05471	33.3
92.77959	2.1
95.04946	3.9
103.05464	8.5
105.04508	2.3
105.07023	79.6
107.08586	4.7
125.43287	2.1
126.13515	1.7
133.06476	55.6
135.08035	100.0
151.07512	16.4
198.12776	28.9
271.96027	2.1
279.17709	36.9
475.32681	11.0
476.32748	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	476.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08698	1.7
66.13018	1.7
67.95954	2.0
70.06585	2.6
73.06551	2.7
78.48174	1.5
81.03418	2.3
81.07043	2.2
86.09695	4.2
87.04469	10.4
89.06025	100.0
96.75649	1.8
104.49431	2.2
121.24314	1.8
122.64668	1.8
130.08658	15.5
131.07016	2.0
133.08601	60.9
136.88867	1.7
142.19701	2.2
168.05501	2.4
177.11183	19.9
221.13869	4.2
279.38608	2.3
459.27762	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04507	6.1
63.23062	3.6
67.05495	11.3
69.07077	4.7
79.05495	6.2
80.05012	7.2
81.07064	37.3
82.06565	36.3
83.99398	4.0
85.02861	4.9
90.74995	4.1
90.91263	4.5
91.05465	16.0
93.07024	8.5
94.06567	38.9
95.04978	6.4
95.08589	7.9
100.10959	5.1
107.04996	4.5
107.08578	5.1
107.95296	4.5
108.08118	20.0
108.28848	4.0
109.10175	7.8
112.66694	4.4
119.04937	6.0
123.11805	5.3
124.07607	20.0
129.14505	4.3
136.07619	14.9
142.08626	45.0
154.08626	100.0
168.96530	4.3
172.09718	9.5
248.08723	4.9
268.22681	11.0
302.04752	4.9
394.12686	4.9
410.29190	6.1
418.14954	5.0
422.28845	8.0
435.10754	7.3
435.16254	83.8
436.16736	5.9
440.30063	53.9
460.27872	5.5
476.32272	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	477.1364
Annotation	5,7,3'-Trihydroxy-3,4'-dimethoxyflavone 8-C-rhamnopyranoside
Peak:m/z	Relative Intensity
56.01147	6.3
59.63032	6.6
70.85942	7.6
78.75874	7.2
80.05644	8.2
81.07077	9.3
83.21825	7.4
85.02878	10.9
97.87794	8.6
107.04963	13.0
123.04414	8.9
137.06013	12.8
251.40855	8.2
477.13669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.16
Annotation	Erythroxyloside A
Peak:m/z	Relative Intensity
57.03418	1.6
67.87201	1.0
69.03420	5.2
80.41512	1.2
81.03391	1.4
81.07042	1.4
85.02872	2.6
85.82778	0.9
87.04457	3.0
91.05452	1.6
91.71612	1.5
97.02849	1.4
109.06510	1.7
110.28024	0.9
115.03923	1.5
119.04909	2.4
137.05975	15.4
141.05472	4.2
142.10486	1.2
161.06044	1.4
165.05461	25.1
183.06517	100.0
195.06557	3.6
207.06552	3.2
225.07516	5.2
236.15961	1.1
249.07510	1.6
279.08667	2.1
345.11856	4.0
476.32944	2.3
493.30023	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	477.1753
Annotation	tryptoquialanol
Peak:m/z	Relative Intensity
55.84564	3.3
56.96560	18.8
57.29461	2.8
70.06583	5.2
75.12326	2.9
83.97627	7.9
84.04490	6.9
85.33357	3.3
86.09687	8.5
91.71040	3.4
103.28197	3.2
107.07175	3.4
116.07072	5.3
128.00191	12.1
132.79982	3.3
146.01262	39.6
162.65753	3.4
164.02287	55.9
169.02829	31.3
174.00742	14.8
179.01308	4.5
182.03415	10.8
187.03860	42.2
197.02377	11.2
200.06000	4.9
205.05028	6.4
205.10120	3.5
210.05537	14.8
218.06992	22.9
228.05309	10.2
241.08632	12.3
246.06439	6.8
251.07047	13.3
254.53880	4.2
258.06461	21.5
259.09619	7.7
269.08057	7.1
274.50406	3.8
275.09192	5.2
276.07538	50.3
281.08054	8.5
299.09116	100.0
340.11752	4.7
347.11252	12.1
377.05365	4.6
380.35974	4.2
388.12848	4.9
420.60791	5.6
448.03333	3.9
459.16360	19.1
477.17459	98.0
493.38345	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	477.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34425	1.4
53.47519	1.6
55.01859	4.4
55.17583	1.5
59.25259	1.5
62.67254	1.9
79.05443	2.0
81.06996	2.0
82.05949	1.5
91.05482	3.1
95.04965	5.1
105.07003	2.7
107.04948	100.0
115.05428	4.1
117.07030	2.6
119.04932	6.2
121.02870	2.0
121.06506	4.0
131.04922	3.7
133.06454	2.5
137.05997	5.9
145.06429	2.1
145.19705	2.0
147.04425	5.6
152.06306	2.2
158.86697	2.1
161.05991	8.0
165.06963	4.6
166.07742	2.4
167.08539	6.3
177.07013	7.1
179.07059	11.7
181.06563	2.1
194.07246	5.7
195.08015	18.8
197.06078	3.1
205.06610	5.5
205.08524	2.1
207.47307	2.2
209.09625	3.8
221.09612	4.1
222.06804	3.0
223.07509	20.7
223.99886	3.0
237.09055	9.3
240.07780	2.2
246.32629	2.0
249.09128	4.5
255.10138	72.1
269.11752	3.1
281.11749	4.9
299.12726	4.3
323.87335	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	477.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79737	4.0
56.76529	3.5
57.03429	6.1
58.40684	4.4
69.03420	4.4
71.04994	21.7
78.56190	4.3
85.02901	28.3
88.53271	5.0
91.05479	5.6
106.00148	4.7
106.03587	5.6
107.04974	12.3
111.81874	4.3
122.03715	8.4
129.05460	5.1
137.05963	100.0
137.06906	5.5
146.94450	5.3
150.72804	8.3
151.07552	25.3
163.07578	7.9
164.07074	5.7
175.07637	18.3
177.05566	10.2
189.09117	10.9
191.06961	6.6
305.11942	9.3
330.26733	6.0
334.30725	5.9
367.15570	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	477.2633
Annotation	Harunmadagascarin D
Peak:m/z	Relative Intensity
52.74120	1.5
57.07072	10.9
79.05495	2.6
80.44173	1.7
81.07040	6.2
83.04971	2.6
85.06529	6.7
86.40072	1.6
91.71687	2.9
100.39993	1.8
105.07039	3.2
107.04922	2.8
109.06516	18.6
110.77734	2.2
111.07950	2.0
118.31020	2.8
119.08635	1.7
125.20630	1.7
133.06511	2.9
136.02188	2.1
145.06514	2.8
147.08026	3.9
161.05954	100.0
233.15356	3.1
245.11787	5.6
369.20618	6.4
477.26205	8.8
477.32892	3.9
488.80508	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	477.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.4
53.59363	1.8
54.96035	2.1
57.07067	21.3
58.06588	2.1
69.03433	2.3
69.07040	2.6
70.74773	1.8
71.51453	1.9
79.05484	4.2
81.03395	2.4
83.04964	3.1
85.06538	8.3
91.05463	5.7
91.31758	2.3
95.04951	6.8
97.02853	2.0
107.04935	8.9
117.07002	5.2
129.06960	2.8
131.05009	2.5
131.08557	4.7
132.16441	2.5
132.90736	2.8
133.06483	2.4
137.09608	5.8
137.94281	2.5
145.06456	3.8
147.08023	2.5
159.08061	4.2
168.93529	2.8
186.06779	5.2
201.12775	3.7
219.13838	3.0
229.12212	100.0
231.13837	3.6
243.13799	5.7
261.14966	10.4
283.16870	2.9
393.20993	2.9
459.25204	3.9
477.30942	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	477.2635
Annotation	Bazouanthrone
Peak:m/z	Relative Intensity
57.07073	100.0
63.19236	29.3
85.06524	32.3
85.17549	27.6
91.05476	38.5
96.62647	26.9
100.02748	28.1
104.18291	32.7
119.08633	30.5
125.12347	33.1
148.67982	37.5
231.13849	58.9
234.94478	33.1
325.14380	42.2
327.15927	38.6
346.12177	32.4
477.26013	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	477.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	5.5
55.60441	5.3
57.07063	100.0
73.45667	5.5
81.03463	5.9
85.06548	37.7
89.06018	15.6
91.71673	8.1
96.83014	7.2
98.23672	6.4
105.07027	10.4
137.05983	24.8
137.09627	8.6
147.08063	8.4
157.06447	6.7
162.44394	6.8
175.07526	10.6
199.07578	8.7
227.07065	13.4
255.81520	7.4
330.54279	7.6
375.19467	15.1
377.17511	12.2
393.20721	19.6
477.26389	32.8
477.32681	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	477.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06835	9.8
57.07072	100.0
81.07030	8.0
85.06529	36.2
90.55988	7.9
91.05482	12.1
95.04939	9.5
97.20203	7.3
104.32420	8.2
107.04955	11.7
137.05995	24.5
151.03900	8.7
175.11093	8.7
197.31464	8.2
203.10689	22.6
227.07135	14.9
231.13974	16.8
350.26917	8.8
375.19589	19.5
393.20911	16.4
403.98990	10.9
477.26608	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66454	3.7
56.05022	3.8
58.99579	23.1
65.69329	4.1
70.06574	23.6
71.37611	3.6
72.08145	6.8
76.02220	100.0
81.07047	29.9
83.04958	5.2
84.04490	30.5
85.02910	5.1
86.09689	7.1
86.99030	4.4
91.05479	5.3
91.71865	3.8
93.07040	10.2
95.08607	26.3
104.05301	7.8
105.07033	8.1
111.08114	5.3
113.19899	4.7
116.01685	20.0
123.08063	13.5
128.62442	4.6
130.05014	13.9
137.06000	6.7
141.09065	8.5
142.03189	9.2
144.01210	8.1
147.04388	4.7
153.09103	5.2
159.07675	5.2
161.09352	7.0
162.02190	42.5
179.04832	73.8
217.14481	4.9
233.05792	9.3
245.11757	11.8
263.12610	6.1
281.13867	7.4
308.09024	24.5
324.73657	4.5
328.58295	5.2
331.13104	9.9
349.14279	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	478.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66454	3.7
56.05022	3.8
58.99579	23.1
65.69329	4.1
70.06574	23.6
71.37611	3.6
72.08145	6.8
76.02220	100.0
81.07047	29.9
83.04958	5.2
84.04490	30.5
85.02910	5.1
86.09689	7.1
86.99030	4.4
91.05479	5.3
91.71865	3.8
93.07040	10.2
95.08607	26.3
104.05301	7.8
105.07033	8.1
111.08114	5.3
113.19899	4.7
116.01685	20.0
123.08063	13.5
128.62442	4.6
130.05014	13.9
137.06000	6.7
141.09065	8.5
142.03189	9.2
144.01210	8.1
147.04388	4.7
153.09103	5.2
159.07675	5.2
161.09352	7.0
162.02190	42.5
179.04832	73.8
217.14481	4.9
233.05792	9.3
245.11757	11.8
263.12610	6.1
281.13867	7.4
308.09024	24.5
324.73657	4.5
328.58295	5.2
331.13104	9.9
349.14279	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	478.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85881	2.4
57.03430	6.1
67.05486	9.8
69.03423	18.3
75.99996	2.5
79.05478	2.8
85.02898	12.0
87.04443	7.6
95.96679	2.7
97.02890	8.9
100.80923	3.0
104.70002	2.7
106.06535	6.4
108.08109	100.0
124.07590	5.4
130.72707	3.1
134.05997	7.4
136.07568	38.0
152.07056	60.9
177.10156	3.6
184.09654	19.9
219.92645	3.7
314.12369	19.7
346.14929	58.4
476.71524	3.8
478.19095	41.7
501.59265	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	478.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46962	3.0
69.03389	3.9
69.27567	2.9
71.04988	8.6
71.11643	3.0
79.05488	5.7
81.07048	4.9
85.02894	13.0
85.42214	3.0
93.07027	7.9
97.02849	3.2
100.65084	2.9
104.21091	3.2
107.04916	25.8
107.08572	5.6
108.15633	3.1
109.06512	34.8
116.49179	3.1
119.08578	3.6
125.05969	15.6
135.04427	16.5
137.02339	5.9
137.05994	6.9
139.07553	6.0
151.03897	11.7
153.05505	9.8
165.05469	23.3
167.07014	100.0
175.11130	3.2
179.06998	5.5
193.04951	16.5
211.06013	26.4
213.07549	55.1
218.72215	4.2
235.13297	6.0
281.13739	17.5
299.14972	5.0
339.11700	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	478.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37892	2.4
53.00297	5.0
54.46049	2.5
57.03434	21.7
57.03662	3.9
59.04996	6.7
69.03419	100.0
75.04465	7.3
79.71535	3.4
81.03395	3.4
85.02897	72.7
87.04458	62.7
97.02882	70.1
98.06028	4.9
112.19637	3.0
113.77787	2.9
115.03927	94.5
115.04753	5.6
125.05980	28.0
127.03904	4.9
133.04962	73.7
137.05914	3.0
143.05344	3.0
145.04959	8.5
149.05997	7.7
150.07559	14.6
155.79529	3.1
161.06122	3.6
167.10715	12.4
174.07474	3.5
176.90331	2.9
203.10797	3.8
241.06956	4.3
245.11839	4.7
251.47337	2.9
263.12842	6.2
267.07443	3.4
306.58160	3.8
333.62024	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	478.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07182	1.5
51.77833	1.7
53.03931	5.3
55.01863	6.3
55.05508	11.0
57.03434	3.9
57.07071	2.4
61.02904	3.3
61.82731	1.6
62.98377	1.8
67.05488	10.1
69.03420	26.4
69.07053	8.2
71.04976	4.5
71.08620	2.7
71.59050	1.5
73.02876	3.7
78.15022	2.2
79.05485	20.4
81.03403	19.0
81.07042	18.8
83.04969	33.2
83.08614	5.6
85.02897	68.5
87.00819	16.6
91.05477	9.8
93.07035	48.3
95.04950	4.9
95.08584	12.3
97.02876	20.8
97.06522	12.4
97.10204	1.8
99.04451	6.7
99.08089	2.7
105.01860	26.6
105.04547	2.1
105.07024	5.7
107.08583	16.9
109.02874	27.1
109.10147	3.7
111.04436	22.4
113.05969	4.2
119.08605	6.5
121.06502	17.7
121.10144	4.6
125.05984	5.2
127.03909	37.9
127.04794	3.1
131.08585	4.3
133.10126	7.4
135.08043	8.9
135.10658	2.9
135.11682	43.2
135.12666	3.1
139.07559	7.1
145.04935	10.6
146.04536	2.4
147.11734	2.9
149.13264	7.9
153.09048	3.4
159.02885	5.5
159.11691	9.3
167.14281	12.1
177.12724	26.7
189.04007	2.7
191.25140	2.0
195.13792	100.0
196.13965	2.0
213.03914	4.1
213.14923	6.4
231.05005	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	478.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11769	5.4
57.07062	9.2
58.28144	6.6
60.99033	5.1
61.37695	7.5
69.03423	6.7
70.13256	5.6
85.02938	6.2
107.04957	19.3
119.04960	7.1
121.06459	6.3
135.04419	22.7
139.57289	6.7
145.10060	7.6
149.05980	6.9
153.05449	100.0
163.03883	68.4
195.06572	43.8
213.07538	37.2
231.13881	9.0
395.18561	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	478.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.7
53.03941	0.3
53.46264	0.3
55.05500	0.4
57.03425	2.4
57.06846	0.2
57.07075	3.1
59.04972	0.3
59.49132	0.3
69.03413	0.3
71.01323	0.4
71.04983	24.4
72.71906	0.3
73.02920	0.3
75.04462	1.3
83.04979	1.7
85.02898	25.0
86.06066	0.9
87.04458	0.7
91.05470	10.9
93.07034	100.0
94.07369	0.6
95.04973	3.2
97.02861	0.8
98.06059	0.6
102.30760	0.4
105.04542	0.5
107.08596	1.2
109.10151	2.0
111.04459	1.1
118.06557	0.4
127.03884	0.6
129.05475	8.3
135.11685	13.9
145.05023	0.4
146.08067	0.5
147.06523	3.3
162.93550	0.3
164.09163	2.9
180.93333	0.4
233.95251	0.4
246.97701	0.4
255.08658	0.3
273.09720	1.1
279.83759	0.4
281.32785	0.4
309.11801	1.0
325.23495	0.4
436.31882	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2927
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05495	17.8
59.67262	5.3
62.06077	71.7
62.85311	4.4
63.90873	5.1
67.05497	54.1
69.07059	27.0
79.05451	6.8
81.07047	51.9
83.08593	8.8
91.05438	6.1
93.07033	18.7
95.08595	48.3
95.09119	7.3
98.98426	14.3
107.08592	8.6
109.10162	13.2
110.98986	5.5
119.08626	6.9
123.11703	10.1
155.01047	8.4
170.12306	6.6
245.22498	6.0
260.26950	6.1
263.23715	6.3
306.27951	16.4
337.27347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	14.2
55.75555	3.2
57.03418	10.7
59.95815	3.4
67.05497	32.8
69.07059	20.8
72.63636	3.0
75.97854	2.5
77.70088	3.4
79.05489	5.7
79.30403	2.6
81.07052	34.0
83.08593	11.6
91.05460	6.4
93.07043	9.5
95.08601	24.5
97.10148	3.7
107.08571	5.3
109.10123	5.9
121.10120	3.0
144.18370	3.0
156.82787	3.6
161.95354	3.0
189.06520	3.7
201.57062	3.2
214.38956	4.2
304.71408	3.5
337.27322	100.0
364.96231	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	478.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72380	0.8
53.00325	0.8
55.05501	7.1
57.07079	1.4
60.05636	0.9
62.06081	5.3
67.05501	12.2
67.05833	1.1
69.07053	9.1
71.56337	0.8
79.05506	3.1
81.07037	9.7
83.08638	3.1
84.87068	0.9
85.05299	2.0
91.05513	1.4
93.07036	1.7
95.08617	6.1
96.08134	1.3
97.10233	0.9
98.06050	14.2
98.06636	0.9
109.10223	1.0
110.09714	1.1
112.07644	2.2
121.10160	1.5
140.10762	1.0
140.91940	0.9
142.67801	1.0
154.12292	1.4
171.97194	1.0
202.10809	3.0
208.17003	1.4
251.46391	1.1
281.12244	1.1
306.27872	100.0
307.28323	2.1
351.44113	1.0
379.82639	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56370	1.7
61.24628	2.1
62.06080	100.0
62.51028	2.1
67.05486	5.2
69.07066	2.3
69.85088	1.7
80.66661	2.1
81.07069	7.1
93.06983	1.9
95.08622	5.6
98.98513	3.2
99.34482	2.0
107.08529	2.8
108.84964	2.6
109.63242	2.7
121.10168	2.5
147.04477	6.1
165.05420	3.6
231.01605	2.2
241.70517	2.2
243.99480	2.3
337.27298	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	478.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70534	6.5
57.07074	52.6
69.03410	7.3
69.09906	7.5
74.64874	7.2
78.15330	7.7
78.42474	8.6
81.07032	13.4
85.06536	24.1
85.61099	6.9
91.05456	8.2
93.07027	13.1
95.04930	8.2
95.08574	11.1
105.07031	18.5
107.08600	15.1
109.06508	20.3
117.54134	7.6
121.02861	17.4
135.08035	15.1
161.05954	100.0
163.98636	8.2
171.28702	7.5
175.11179	9.4
201.09166	15.6
217.15880	11.2
245.11710	55.9
285.14874	44.1
377.21219	13.5
461.26712	32.2
479.22763	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	6.1
56.05022	3.7
60.04519	73.3
62.06564	2.2
67.05499	24.5
69.07053	5.0
69.26334	2.5
70.06581	7.0
79.05488	10.2
79.43849	2.6
81.07056	22.5
91.05478	15.8
91.71597	3.0
93.07046	13.0
95.08606	17.5
97.10163	2.7
99.54598	2.3
105.07010	4.5
107.08592	4.9
109.10159	6.5
119.04949	17.8
119.08632	3.2
119.26406	2.2
121.10130	5.2
131.69838	3.1
135.11699	7.8
137.99178	2.7
139.91107	2.2
147.04411	100.0
149.13231	3.1
165.05447	21.4
174.85382	2.5
175.14906	2.4
192.56631	2.7
247.12637	3.0
252.23233	7.6
266.24753	5.3
278.24884	12.7
296.25781	36.2
314.26816	44.8
401.40237	3.0
420.95953	3.3
460.30353	13.2
478.31607	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3162
Annotation	Pf 1163a
Peak:m/z	Relative Intensity
53.90903	3.0
55.05503	6.5
56.05025	6.0
60.04237	5.8
60.04519	80.9
65.46884	2.9
67.05503	28.3
69.07061	4.2
70.06599	3.3
79.05481	8.7
81.07046	26.6
91.05466	15.8
91.39530	3.1
93.07034	15.9
95.08588	20.7
105.07039	5.0
107.08595	9.3
109.10155	4.1
110.25157	3.7
119.04932	21.3
121.10149	9.2
135.11691	6.5
147.04401	100.0
147.05511	6.0
165.05406	20.2
167.84752	3.5
184.46230	3.4
195.39000	4.3
252.23279	6.8
278.24768	11.4
296.25739	35.0
314.26837	41.9
460.30304	7.6
478.31531	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	11.7
62.06052	2.1
65.03941	3.5
67.05495	56.6
69.07047	12.2
79.05482	12.7
81.07049	100.0
83.08631	13.1
83.15340	2.4
86.40983	2.2
91.05463	12.2
93.07039	18.4
95.04922	2.9
95.08601	51.4
95.09161	4.6
97.10147	17.0
107.08581	8.8
109.10143	18.6
119.04930	23.5
121.10130	27.4
123.11692	42.2
126.89780	2.6
135.11682	28.0
137.13249	25.3
147.03239	4.1
147.04402	81.7
149.13281	9.5
156.05403	6.0
163.14801	4.5
165.05453	4.5
219.20999	12.8
237.22180	4.6
279.23105	8.4
297.24350	4.7
479.26144	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34203	2.0
54.87928	1.9
55.05520	3.4
55.95587	2.0
56.05035	8.0
56.47421	2.1
57.07091	3.8
60.04517	100.0
67.05513	5.5
69.03442	10.0
69.07078	3.8
72.04510	5.2
74.06099	8.3
76.83923	2.8
77.84746	2.2
81.03418	3.0
81.07076	9.3
82.33353	2.2
83.08639	4.4
84.04533	5.2
85.02897	15.8
91.05510	4.1
93.07021	2.8
95.08630	7.9
96.65985	2.1
97.02879	5.7
102.05560	6.0
104.07074	2.6
105.07104	2.4
107.08586	2.6
109.02914	2.5
109.10196	3.1
177.64241	2.7
198.09795	2.4
206.10208	3.2
224.11438	3.0
247.17886	2.8
280.26492	3.8
298.27509	9.3
308.31250	2.7
316.28461	58.9
358.29568	4.2
449.37720	2.6
478.33630	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	479.1183
Annotation	6-Hydroxykaempferol 4'-methyl ether 7-glucoside
Peak:m/z	Relative Intensity
52.43477	0.8
53.74870	0.8
55.01871	0.9
57.03440	1.4
59.57715	0.9
61.02934	3.2
69.03413	6.6
71.04996	1.4
81.03429	2.9
85.02899	19.9
85.03371	1.4
86.09722	1.4
87.04455	1.1
92.02644	1.4
93.03446	1.1
97.02873	5.2
107.04948	17.9
107.42458	0.9
109.02917	1.3
121.02859	1.1
127.03967	3.1
128.50310	0.9
145.05011	1.6
150.43680	1.0
151.03981	1.5
153.01813	9.3
163.03941	1.2
165.01880	1.1
177.05685	0.9
200.74037	1.1
217.05057	1.1
219.02870	1.5
228.04179	1.7
229.05112	2.8
231.83269	1.0
245.04515	1.6
257.04614	2.3
273.03915	3.0
274.04688	4.7
285.03903	5.0
302.04083	12.2
317.06534	100.0
377.96588	1.3
395.11224	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	479.1181
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
55.01850	1.0
57.03406	0.7
60.73668	0.6
61.02906	1.8
69.03420	7.1
70.06566	0.8
71.04992	0.6
81.03390	2.9
83.01328	0.9
85.02897	17.8
87.04508	0.7
90.22009	0.7
92.02618	1.5
93.03401	1.6
97.02893	6.9
109.02850	1.2
121.02848	1.4
126.03173	0.7
127.03887	1.7
139.03864	1.2
149.16170	0.8
151.03957	1.1
153.01842	9.4
203.03352	1.2
217.04948	1.5
228.04219	2.1
229.04938	3.9
245.04478	1.6
246.05228	1.7
257.04483	1.9
273.04007	1.5
274.04663	3.1
275.82925	0.8
285.04019	4.4
296.26624	0.8
302.04169	12.7
317.06531	100.0
318.06747	1.6
355.27716	0.9
429.54550	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1181
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
57.03420	1.5
58.67947	0.7
61.02911	2.4
64.34487	0.7
66.61938	0.7
69.03422	7.1
71.04987	1.3
76.23988	0.7
81.03409	2.3
85.02898	17.2
92.02652	1.2
93.03384	1.8
97.02901	4.3
99.04441	1.1
107.50401	0.8
109.02873	1.6
121.02869	1.5
127.03906	2.0
139.03926	1.7
145.04958	1.3
151.03853	1.1
153.01814	9.9
228.04237	1.9
229.04979	2.9
245.04324	1.1
246.05115	1.9
257.04514	2.6
273.03827	1.1
274.04758	4.0
285.04022	3.9
302.04163	14.1
317.06512	100.0
318.06906	1.1
374.26126	1.0
419.03775	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1185
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
57.03441	5.6
69.03417	7.0
71.04997	20.8
71.76554	2.4
76.15675	3.0
81.03419	3.0
83.05012	3.1
85.02899	37.1
97.02859	7.2
100.56225	2.7
107.54678	2.8
153.01791	7.4
217.04933	4.8
274.04703	19.2
302.04150	40.8
317.06540	100.0
333.06070	20.8
425.50391	3.5
479.11722	21.9
481.15015	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	479.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60604	0.4
56.25761	0.4
57.03382	0.5
58.94402	0.4
61.02883	0.4
69.03380	1.3
73.02906	0.5
73.59486	0.7
77.35397	1.2
81.07014	0.6
85.02885	2.3
87.04425	0.5
96.40859	1.0
97.02856	0.6
103.98063	0.5
120.49938	0.4
150.16405	0.4
153.01752	0.7
199.79507	0.5
226.56137	0.5
274.04697	21.3
302.04178	36.7
317.06525	100.0
318.06943	1.6
333.06238	0.7
333.22131	0.6
347.07675	1.4
349.52020	0.5
371.04019	0.5
461.25174	1.5
466.30164	0.5
479.11774	22.9
479.25705	2.1
480.12085	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1184
Annotation	Syringetin 3-xyloside
Peak:m/z	Relative Intensity
55.37390	1.2
57.03431	13.6
61.02906	3.1
62.90796	1.1
69.03407	1.2
73.02907	40.4
84.04493	1.7
85.02903	10.3
86.09698	4.5
87.04463	2.3
92.02633	1.5
93.07063	2.0
97.02892	2.6
99.04394	1.6
103.83865	1.4
113.09673	1.7
139.03868	2.1
151.03928	2.0
153.01814	13.3
165.01840	1.8
229.04982	4.7
230.05658	2.5
244.03600	1.8
257.04428	1.8
258.05322	9.2
259.06079	3.1
273.32614	1.5
274.04913	2.9
285.03885	3.4
286.04749	6.1
287.05560	4.0
302.04184	10.7
303.04871	4.9
314.03986	2.4
315.04953	2.8
317.03592	1.1
317.06531	83.0
331.04520	13.5
332.05322	5.2
347.07574	100.0
486.31924	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	479.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73991	5.1
55.01223	4.7
57.07092	5.2
76.70872	4.4
91.05527	5.9
103.05470	6.3
137.02356	100.0
137.03413	11.4
137.05951	10.5
145.89401	5.4
151.03845	32.2
209.08159	17.5
224.00568	5.7
249.71593	5.6
269.08060	7.7
297.07507	6.8
305.08179	17.3
323.09314	11.7
337.10745	7.7
340.87466	7.2
343.11755	18.9
355.11996	9.3
415.11823	8.3
429.13528	12.1
479.17038	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	479.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49845	2.8
58.93138	2.9
69.39612	2.9
81.07040	4.7
82.66641	3.8
91.05453	18.3
91.43827	3.6
91.70962	4.1
95.04931	4.9
95.08559	3.7
105.06989	4.2
109.40246	3.6
115.05480	5.1
117.07037	6.4
119.04955	9.1
121.06505	4.7
122.03648	12.0
123.08060	8.3
128.06212	4.5
129.06969	6.6
135.08012	6.0
137.05969	100.0
137.06950	7.7
137.89357	3.5
143.04913	3.7
151.03877	6.9
151.07527	59.2
161.06012	11.6
165.09056	5.5
175.07588	4.7
177.09155	6.6
189.09183	9.0
195.10153	30.1
205.06416	4.9
207.10126	4.7
210.98450	3.9
219.08044	4.9
219.33449	3.6
237.09145	5.7
251.07193	4.8
265.08582	13.8
267.46790	4.8
285.11197	8.8
297.11240	15.6
311.12628	6.8
317.14050	4.3
395.95923	4.4
407.84985	4.2
435.18546	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	479.2282
Annotation	Divaricin B
Peak:m/z	Relative Intensity
50.12969	6.0
57.07063	16.5
62.92211	6.2
85.06562	7.7
91.05466	12.3
91.71615	11.7
93.07031	10.9
108.57452	7.8
169.53967	7.8
196.70618	7.9
265.35754	8.7
386.22968	9.4
479.22815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05473	3.6
57.03418	8.8
69.03400	12.8
70.06552	4.6
71.04982	62.5
75.04464	9.7
76.02501	3.8
81.07034	8.7
83.04965	15.6
85.02896	100.0
87.04461	5.3
90.87617	4.2
90.97408	4.1
93.07036	7.0
95.08584	11.1
97.02894	9.5
97.61021	4.7
103.35628	4.8
107.08586	7.8
109.10127	6.1
111.04436	6.5
113.11650	4.8
129.05467	35.5
135.11702	16.0
147.06511	12.6
153.12622	7.8
165.61414	4.3
221.95465	4.8
264.78174	5.6
281.17484	10.3
297.16895	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	479.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25943	3.6
53.03949	9.0
55.05502	7.7
57.07069	100.0
57.07350	5.3
67.05496	7.1
70.21133	5.1
78.83593	4.7
79.05487	25.1
81.03416	6.0
83.04965	70.2
85.06535	43.5
86.04517	5.5
91.05512	13.8
93.07079	7.2
95.04950	44.1
95.08620	6.8
105.04519	5.9
105.07070	16.1
107.04948	91.3
107.05595	8.0
117.07021	8.6
119.08598	7.8
121.06487	32.4
123.08090	12.7
129.07030	5.8
135.04491	12.8
135.08096	20.6
137.09666	16.5
143.08563	7.5
145.06528	11.1
147.08023	7.2
149.09676	15.9
151.11334	7.1
159.08017	10.2
171.08110	8.9
173.09671	6.6
185.09695	18.0
187.11276	10.5
199.11229	21.2
209.09706	7.6
213.09264	5.9
227.14455	10.5
229.12212	8.9
231.13890	6.3
235.11211	6.8
237.12764	9.1
243.13943	8.7
350.04575	6.4
355.22446	9.4
359.20013	30.9
377.21014	66.1
443.26144	12.7
461.26950	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	479.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86757	3.9
55.01870	3.3
57.06804	5.9
57.07067	100.0
67.63101	3.9
79.05476	11.7
81.03439	4.4
81.07050	10.6
81.29655	4.1
83.75346	3.8
85.06536	31.6
91.05458	17.7
93.07009	8.7
95.04990	7.7
105.07004	10.8
107.04947	14.4
109.06498	26.5
113.98743	4.1
119.08575	6.7
121.06482	16.5
125.05994	7.0
129.06984	6.5
131.08577	6.3
133.06476	5.1
133.91782	4.2
135.04391	6.7
137.09625	17.9
143.08549	6.1
145.06456	10.7
147.08054	5.2
159.08051	10.5
171.08073	5.6
175.11194	6.2
185.09680	5.4
187.07607	5.2
193.10265	4.6
201.12788	6.7
203.10637	9.6
203.14334	11.9
209.09595	4.8
229.12259	35.2
231.13776	11.0
235.11157	5.0
243.13815	8.8
245.15291	23.0
247.13235	19.0
259.13303	5.1
353.21146	9.7
355.22797	5.7
359.20020	9.8
361.18060	5.5
377.21042	16.9
433.27042	9.6
439.97678	5.1
443.25519	8.0
461.26511	25.6
479.27847	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	479.279
Annotation	schweinfurthin F
Peak:m/z	Relative Intensity
57.07069	100.0
61.71048	6.6
65.30548	6.6
67.05518	16.9
67.65574	6.1
78.67954	7.0
79.05498	16.7
81.07071	32.8
85.06528	47.3
91.05492	25.7
93.07057	25.9
95.04997	14.2
95.08606	17.7
105.07081	16.4
107.08607	13.9
109.06545	34.1
111.07250	8.6
117.07098	9.8
119.08623	16.2
121.06547	9.5
121.25926	9.3
128.06241	8.5
129.07005	15.9
131.08615	13.2
135.10271	8.3
141.67639	8.2
145.06529	12.1
150.21576	8.1
150.62941	7.6
157.06502	15.3
171.08076	12.3
187.07639	11.5
199.07664	13.5
201.12801	10.6
228.42998	8.4
229.12189	54.3
247.13367	36.1
269.11887	9.8
271.13538	9.0
301.14474	22.6
443.25638	14.4
461.27289	19.7
476.06039	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	479.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79699	8.6
55.01883	9.6
55.05490	20.7
57.07066	78.2
60.85550	8.3
67.05471	9.2
71.96775	9.7
75.27113	10.9
79.05483	39.2
81.07053	24.7
83.04964	100.0
84.08136	88.7
85.06536	32.1
87.35629	9.0
91.05477	15.9
95.04933	14.4
95.08585	18.7
97.37433	11.7
99.92326	11.5
109.06503	40.6
110.55657	9.4
111.30413	12.6
126.47277	10.6
145.06477	27.2
154.87640	11.5
201.12813	26.9
215.04201	11.1
229.12167	59.3
247.13354	40.6
271.16913	43.3
291.35092	12.1
479.27737	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	479.2794
Annotation	bipinnatone A
Peak:m/z	Relative Intensity
54.70728	4.2
57.07047	18.1
61.41632	3.6
61.86938	3.6
67.05491	6.4
69.03402	11.3
72.63882	4.0
81.07034	6.9
81.27211	4.2
84.42873	3.8
85.06528	8.8
88.57076	4.0
91.05464	8.8
92.19876	4.5
93.07060	10.3
95.04937	21.9
95.08607	5.3
97.02882	74.4
123.04413	8.9
131.08578	5.3
137.09616	9.7
141.29779	4.0
145.06589	4.3
151.11169	75.9
195.18643	4.4
233.15443	5.7
247.13271	100.0
261.00702	4.1
264.97440	4.6
307.28177	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3002
Annotation	2-Dehydro-3-epi-20-hydroxyecdysone
Peak:m/z	Relative Intensity
55.05487	0.5
57.07047	0.5
57.68718	0.4
65.03918	1.2
67.05488	4.0
69.07042	1.1
79.05467	1.0
81.07037	4.8
91.05468	12.1
93.07013	0.8
95.08596	4.2
97.10136	0.6
105.07008	0.9
107.08570	1.8
109.10142	1.2
110.70901	0.5
119.04930	25.0
119.05781	1.3
121.10123	1.2
130.57970	0.6
133.10115	0.6
145.10100	0.7
147.04396	100.0
147.61369	0.6
165.05476	0.7
279.23141	5.0
284.81192	0.6
297.24319	1.4
436.58368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83132	3.6
55.05503	35.1
57.07053	18.7
67.05488	31.3
67.30189	3.4
69.03413	15.6
69.07050	10.2
70.30967	5.3
75.36729	3.9
79.05470	13.1
81.07048	22.3
83.04967	84.7
83.08617	29.2
85.06551	5.2
85.18345	4.5
91.05463	25.1
91.33147	4.2
93.07037	20.4
95.04955	10.4
95.08590	13.4
105.07021	28.4
107.04956	6.9
107.08567	12.6
108.61028	4.0
109.06543	11.4
109.10151	51.5
111.08128	7.7
111.69213	4.2
117.07014	9.8
119.08562	27.8
121.06579	4.6
128.06253	6.5
129.06992	7.5
131.08565	27.7
133.06563	7.0
133.10120	8.0
143.08597	12.5
145.10130	17.6
147.08049	9.9
147.11682	6.2
151.07613	5.8
155.08586	5.5
157.10081	7.7
159.07996	7.7
159.11731	12.5
169.10101	6.2
178.46898	4.8
187.11153	6.4
187.14854	21.2
189.12648	6.2
191.10690	9.5
201.12866	6.4
203.14328	6.7
215.14268	9.6
245.15486	22.1
247.16911	15.0
285.18552	16.6
299.19986	100.0
311.20151	7.6
372.39496	5.0
391.22595	8.6
422.11108	5.7
423.25363	47.6
447.28888	6.7
479.27438	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	479.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67070	3.7
57.07074	26.1
63.34755	4.1
65.45791	4.6
66.08572	4.0
67.05497	7.0
69.07062	8.8
76.10492	4.6
78.66570	5.0
79.05500	8.2
81.07040	33.6
83.04967	5.8
85.06522	7.7
91.05476	8.2
93.07034	16.5
95.04971	5.1
95.08587	12.4
104.02795	5.4
105.07018	21.4
107.08588	11.5
109.06469	12.0
109.10115	8.9
112.51203	5.0
119.08591	11.5
124.84310	5.4
129.06960	6.7
131.08569	14.7
147.08000	6.0
157.10120	6.7
161.06023	8.0
167.45036	6.2
191.85406	7.2
207.41002	6.2
215.85846	7.1
238.64467	5.6
243.13881	8.0
299.20041	100.0
305.92999	6.4
340.08832	6.7
423.25339	12.2
473.33972	5.9
479.34720	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	480.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78664	3.3
55.01856	6.7
69.03428	4.7
79.05470	9.7
81.07045	5.7
85.02890	8.3
91.05465	64.9
92.18444	3.8
93.07048	5.0
95.04929	5.6
103.05492	8.1
105.03367	14.3
105.07027	11.0
107.04972	8.8
107.08590	4.9
109.06509	13.6
115.07596	3.9
119.04934	99.5
121.06485	6.7
131.04907	9.1
133.06505	9.1
136.05231	4.5
137.05965	100.0
139.07497	4.3
147.04405	28.7
149.06029	8.6
151.07541	45.6
159.08095	6.3
161.05959	35.6
162.06764	19.2
165.05487	4.8
175.07480	20.6
179.07022	34.8
187.07532	6.5
193.03233	6.3
193.08640	7.3
205.08603	15.1
209.57599	5.3
228.66187	5.2
265.02420	4.9
309.11258	18.1
311.12521	7.0
335.21558	6.1
341.13635	11.0
379.46231	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	480.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05013	7.8
57.03416	5.5
58.06584	2.5
58.78728	2.3
60.05628	7.7
69.03423	15.2
70.06594	19.5
73.91328	2.6
74.06059	6.9
81.98334	3.3
82.32093	3.2
85.02912	8.8
86.03516	4.6
87.04467	7.3
91.05470	2.9
91.71089	3.8
97.02881	10.4
97.07641	12.2
98.87978	2.5
105.03401	5.4
111.09223	3.2
115.03928	12.2
120.04491	8.7
129.10240	59.5
132.04456	6.3
132.08102	4.8
133.04976	8.3
151.07527	16.8
155.08162	12.0
158.06024	10.4
165.09157	5.8
230.12869	96.4
230.15190	5.8
231.11353	8.1
248.13927	100.0
274.11786	5.9
310.41843	3.5
377.18134	36.1
395.19232	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	480.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.9
55.01861	3.6
57.03418	4.2
61.02913	7.5
69.03417	20.9
71.04981	2.5
72.34087	1.4
73.02915	5.5
79.05478	4.6
81.03410	8.0
85.02897	100.0
91.03946	5.9
97.02884	30.4
99.04464	3.1
106.06741	1.9
107.04949	39.8
107.08556	1.9
109.02856	5.7
109.10201	2.0
115.03957	2.5
124.37601	1.8
124.53406	1.8
127.03907	23.1
139.07536	57.2
145.04958	36.7
148.07591	4.9
151.11253	2.3
163.06058	8.8
168.06630	1.9
185.76208	1.7
191.13803	1.9
204.08685	2.2
422.15601	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34676	0.4
57.03436	0.4
63.26789	0.4
69.03400	1.9
74.38818	0.4
80.06268	0.7
85.02892	1.1
87.04446	0.8
91.05457	2.2
97.02875	0.9
106.04103	0.6
107.04936	4.5
108.05717	1.8
115.03943	1.2
135.04366	1.3
136.05182	0.9
150.07622	1.0
151.07535	100.0
152.07851	0.9
154.65567	0.5
338.19153	0.5
442.43170	0.6
498.99146	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	7.5
59.55898	7.4
69.03405	20.5
71.04972	89.1
72.19644	7.1
72.44426	7.4
83.04978	13.3
85.02892	100.0
99.69406	6.6
123.04413	11.0
129.05452	41.2
133.10106	13.6
137.05974	10.8
147.06473	16.2
155.07027	32.2
179.06964	9.6
194.22998	7.9
449.73001	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	480.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32775	2.1
50.78156	2.2
56.05025	10.4
56.96528	2.5
58.06610	4.0
60.05643	5.9
70.06578	24.2
70.47005	2.2
74.06063	5.2
84.04431	2.3
86.03570	5.3
93.61230	2.6
97.07655	9.1
97.42624	2.4
105.03381	3.2
111.09206	4.8
119.10398	2.4
120.04480	10.4
129.10239	64.3
132.04466	8.6
132.60843	2.7
139.03906	35.5
155.08163	17.2
158.05989	8.0
163.15419	2.6
230.12891	100.0
231.11296	7.2
242.44789	2.7
248.13928	95.2
274.11880	7.4
291.52609	2.9
377.18149	37.8
390.05365	3.1
390.31903	3.1
395.19342	25.0
427.86285	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	480.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.79760	1.1
61.02934	2.4
69.03422	5.8
71.04981	1.7
72.08130	1.6
81.03422	2.4
84.01439	1.0
85.02896	20.4
93.07069	1.1
97.02882	5.4
101.91661	1.0
115.05435	2.6
117.06991	12.1
117.45752	1.1
118.46124	1.1
120.23749	1.0
127.03882	3.1
137.05978	3.3
145.05029	3.3
145.06459	28.2
162.06737	1.3
177.09085	100.0
180.08656	1.7
186.09131	1.2
201.44907	1.3
214.86845	1.2
355.45004	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	39.5
61.02919	10.5
65.67426	3.3
67.05493	13.8
69.03416	30.9
71.01353	3.9
71.04989	11.4
73.02908	73.5
79.05499	6.6
81.03403	11.6
81.07023	35.4
82.60084	3.7
83.01337	4.1
83.04979	3.8
85.02892	38.7
85.06497	4.4
91.05476	18.2
93.07048	17.7
95.04959	16.3
95.08572	20.9
97.02884	37.0
105.07025	31.9
105.30217	4.0
107.08588	54.0
107.84550	4.5
109.02906	4.6
109.06519	8.0
109.10136	9.9
115.03931	28.1
121.10159	6.5
123.11723	18.8
127.03960	16.4
132.06635	6.2
133.10110	67.2
138.78485	4.5
144.55421	5.6
145.04955	14.3
150.07645	16.1
151.11166	100.0
167.48969	4.2
265.14346	4.8
313.89639	4.9
348.20050	5.3
443.64246	4.9
480.24762	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	480.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23980	2.5
57.03414	9.2
59.04988	4.7
67.05488	2.7
69.03416	38.4
71.04974	6.7
73.27425	2.4
81.03390	2.8
81.07047	6.1
85.02900	25.8
87.04449	25.1
91.05466	5.7
93.07027	3.7
97.02872	29.2
99.04423	2.7
105.06995	3.0
107.04865	2.4
107.08585	100.0
109.10113	5.3
111.08060	12.5
115.03910	31.3
123.08035	4.9
123.11720	19.9
133.04967	26.3
133.10085	3.2
138.43071	3.0
151.11168	68.0
151.12320	5.1
160.66284	2.7
169.12218	63.5
481.12665	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	480.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	4.1
56.99966	2.7
57.03432	3.3
62.06076	3.5
67.05489	13.3
69.07057	5.2
73.14727	2.9
75.43125	3.1
77.26471	3.1
79.05473	10.9
79.24658	3.0
81.03397	7.2
81.07046	12.3
83.08622	4.5
85.02887	6.4
85.39054	3.2
91.05496	6.2
92.82144	3.6
93.07067	19.2
95.04960	5.8
95.08601	25.1
97.02872	5.2
97.06509	3.4
105.07019	5.5
107.04964	3.9
107.08608	12.6
111.04449	4.1
117.07025	5.6
119.08569	4.8
121.06503	5.2
121.10138	8.0
135.11687	29.0
145.10097	12.9
163.11157	44.1
173.51549	3.5
177.79352	4.0
181.12228	6.1
183.96930	3.3
227.12787	48.9
256.71759	3.9
283.15375	100.0
283.18524	6.2
427.19693	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51143	2.5
57.03428	20.6
59.04972	3.4
60.04511	3.4
67.05501	7.0
69.03419	90.5
73.02850	2.6
75.04471	4.8
78.20569	2.6
81.03386	2.9
81.07038	12.9
85.02892	56.8
86.22884	2.8
87.04459	58.1
97.02886	96.9
98.06075	4.2
99.04483	3.2
107.08596	5.0
115.03922	100.0
123.11703	41.7
127.03928	6.7
133.04964	79.7
144.06624	3.6
145.04980	4.5
150.07637	11.1
151.11174	57.6
164.06175	3.1
166.91626	3.2
168.13744	3.4
169.12177	3.8
174.07707	3.7
196.00328	3.6
214.00189	2.8
226.70393	3.8
283.15518	9.3
295.10486	4.5
313.16388	7.1
360.51135	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	480.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00591	4.2
55.05510	4.7
56.31250	4.2
57.03424	12.6
67.05506	7.2
69.03422	33.4
72.73672	4.7
75.04423	4.0
81.03414	5.8
84.10438	4.9
85.02898	26.3
85.06534	100.0
87.04465	20.4
91.05441	8.1
91.71124	6.5
93.07008	5.6
97.02897	32.3
105.07030	16.9
107.08575	10.6
115.03907	31.6
116.49020	4.9
119.90816	5.2
121.10115	7.2
125.00853	5.0
125.42609	4.6
133.04980	19.1
133.10120	31.6
145.05020	7.5
150.07628	5.9
168.57420	5.8
247.13466	5.7
265.14401	8.4
290.05737	5.2
293.81955	5.2
408.66180	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	480.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	39.5
61.02919	10.5
65.67426	3.3
67.05493	13.8
69.03416	30.9
71.01353	3.9
71.04989	11.4
73.02908	73.5
79.05499	6.6
81.03403	11.6
81.07023	35.4
82.60084	3.7
83.01337	4.1
83.04979	3.8
85.02892	38.7
85.06497	4.4
91.05476	18.2
93.07048	17.7
95.04959	16.3
95.08572	20.9
97.02884	37.0
105.07025	31.9
105.30217	4.0
107.08588	54.0
107.84550	4.5
109.02906	4.6
109.06519	8.0
109.10136	9.9
115.03931	28.1
121.10159	6.5
123.11723	18.8
127.03960	16.4
132.06635	6.2
133.10110	67.2
138.78485	4.5
144.55421	5.6
145.04955	14.3
150.07645	16.1
151.11166	100.0
167.48969	4.2
265.14346	4.8
313.89639	4.9
348.20050	5.3
443.64246	4.9
480.24762	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	480.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	9.9
70.06572	4.2
70.09839	3.5
71.04613	5.5
71.04983	75.4
72.08144	89.4
74.14532	3.6
75.04459	7.9
81.07050	7.9
83.04963	11.6
85.02895	100.0
85.81735	3.8
97.02866	9.1
98.06109	4.6
111.04419	9.0
120.67684	4.7
121.31409	3.9
129.05479	35.3
137.05992	6.7
145.04938	4.9
147.06551	16.0
153.05515	9.2
164.09218	5.8
249.53444	5.1
450.99805	4.6
509.78836	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	480.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	8.5
58.81171	4.1
67.87601	4.6
69.03428	8.3
71.04980	63.7
72.96032	5.2
80.63091	4.6
81.07041	13.6
83.04964	17.7
85.02897	100.0
94.67004	4.1
96.34895	4.8
97.02872	9.4
108.62044	5.0
111.04459	8.2
116.36896	4.5
116.60136	4.6
127.03928	8.7
129.05486	26.2
137.06003	5.6
137.13216	12.2
145.04950	16.7
157.52086	5.0
175.20784	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	480.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	10.0
61.02926	2.1
68.78401	1.5
69.03422	2.4
71.04981	91.9
73.02903	2.2
75.04462	4.8
81.07047	34.5
83.04948	10.1
85.02894	100.0
86.06042	2.5
87.04453	2.9
95.08605	1.9
97.02878	3.7
99.04416	1.6
111.04435	7.9
127.03901	4.5
129.05472	45.3
137.13254	26.7
145.04956	4.1
147.06512	18.0
164.09184	11.1
179.37338	2.0
181.50687	1.8
247.43190	1.9
250.19267	1.9
255.08624	4.6
273.09763	2.5
309.11710	4.0
310.27771	2.0
355.62564	1.9
437.69519	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	480.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29256	1.9
55.05505	26.1
55.57029	1.9
57.03438	13.4
57.07065	18.3
58.06545	2.1
60.99252	2.0
67.05501	17.8
68.14819	2.1
69.07060	45.0
71.08620	7.0
76.93561	1.9
79.05474	4.9
81.07049	19.3
83.08610	23.9
85.06504	2.0
85.10178	2.4
89.39142	2.3
93.07039	6.3
95.08597	23.7
97.06538	4.8
97.10177	12.2
107.08587	6.2
109.10149	8.3
111.11774	2.5
121.10152	6.4
123.11690	5.2
135.11665	5.5
202.24294	2.7
215.89897	2.5
308.29416	17.9
326.16217	2.6
339.28891	100.0
426.71115	2.5
442.17313	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78250	0.8
55.05487	2.9
56.05027	1.0
58.06608	1.5
58.65807	0.8
60.08154	19.3
61.87685	0.7
62.06086	1.5
62.09435	0.9
67.05486	2.8
69.07053	3.2
71.07359	8.7
79.05467	1.5
81.07044	2.9
83.08598	1.5
85.57902	1.0
86.09698	54.0
93.07010	1.5
95.08588	1.9
97.06520	1.7
97.18324	1.0
98.98453	3.6
99.74593	0.9
104.10736	100.0
109.10132	1.0
114.34175	0.8
114.47143	1.0
120.87437	0.9
121.10130	1.7
125.00002	24.3
125.00925	1.4
135.11641	1.2
164.69716	1.0
184.07327	75.1
191.77655	0.9
192.91263	0.9
209.18968	1.1
353.72018	1.0
462.29987	5.0
474.20889	1.1
480.30734	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	480.3082
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05500	23.5
57.03435	8.0
57.07074	10.4
59.75214	3.3
62.06080	56.7
67.05221	3.5
67.05489	21.0
69.07066	40.0
71.08611	5.1
74.36699	4.2
79.05495	5.9
81.07040	24.0
83.08601	22.7
93.07037	7.6
95.08598	22.2
97.10186	13.6
98.71516	4.2
98.98483	7.0
109.10162	8.4
121.10168	5.6
135.11699	8.0
147.04430	8.3
155.01085	10.7
216.06325	6.5
265.25238	5.4
271.71182	4.5
308.29520	13.2
320.27536	4.9
339.28897	100.0
478.29956	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	480.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96792	1.8
55.05508	22.0
57.03424	9.6
57.07057	12.5
57.82820	1.9
67.05499	17.9
69.07056	34.9
71.08619	6.0
79.05502	4.0
81.07045	23.3
82.26380	2.1
83.08600	21.4
85.06544	2.6
85.10218	1.8
93.07040	9.1
95.08588	15.0
97.06543	3.5
97.10146	10.1
107.08602	6.7
109.10151	5.4
111.11713	4.3
121.10145	7.9
135.11687	4.9
146.55104	2.3
194.03336	3.0
223.08887	2.5
259.12076	2.7
308.29489	16.8
339.28903	100.0
498.37381	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	480.332
Annotation	Pingpeimine B
Peak:m/z	Relative Intensity
51.10075	2.5
55.05506	6.7
55.07385	2.9
56.05028	4.5
60.04235	6.0
60.04520	95.0
60.48264	3.4
65.18106	3.1
67.05492	27.5
69.07054	12.7
69.61619	3.2
70.06583	14.3
79.05481	11.1
81.07055	32.0
82.03896	3.2
83.08636	6.1
84.08028	3.5
91.05483	13.8
93.07040	16.2
95.08588	21.8
105.07041	4.8
107.08606	9.9
109.10157	11.8
111.26018	3.3
119.04931	19.4
121.10110	9.5
128.41139	4.1
129.35558	3.5
130.45206	3.5
147.04424	100.0
165.05492	14.2
173.71167	4.2
180.92809	4.1
185.34477	4.8
207.47086	4.2
208.60637	3.7
252.73598	4.0
280.26489	10.9
287.61963	4.1
292.59982	3.7
298.27399	33.9
306.39758	3.7
307.19827	4.3
309.94617	4.0
316.28470	60.0
325.32269	4.5
462.32065	7.3
480.33218	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	480.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01393	1.1
57.07063	3.2
67.05487	7.7
69.07053	4.1
70.02949	7.7
72.04501	3.6
73.02901	8.4
79.05496	1.2
81.07046	2.1
85.06531	4.4
86.09707	2.3
87.08092	2.2
90.05546	12.8
90.07600	1.0
91.71698	2.2
92.32816	1.0
93.07055	1.1
95.04960	9.3
95.08575	1.6
96.08109	2.2
98.02397	13.8
100.03984	5.4
109.10120	1.2
111.05518	1.6
113.05995	3.3
116.03453	13.9
124.07577	17.8
124.08404	1.7
142.08635	20.2
153.23907	1.0
156.10118	1.3
166.08696	1.5
184.09671	11.8
196.37048	1.3
196.48163	1.2
198.47073	1.2
202.10727	100.0
212.80449	1.2
220.11751	9.9
480.22806	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55237	2.1
51.84538	2.1
54.55830	2.0
55.05501	7.5
57.10558	2.0
67.05492	42.8
69.07053	5.6
71.04983	9.5
79.05492	13.8
79.56205	2.6
81.07044	41.4
82.76780	2.4
83.08597	7.6
89.05982	2.3
91.05460	11.9
93.07040	20.6
95.08598	42.7
95.90617	2.5
97.10133	2.7
105.06966	3.1
107.08588	10.2
109.10130	14.3
113.09664	3.1
119.04894	17.3
121.10127	41.5
123.11732	9.5
135.11681	28.3
137.90250	3.0
147.04399	100.0
147.11667	5.5
149.13321	4.4
161.13187	2.6
165.05438	30.5
195.04912	3.1
217.19508	9.1
235.20634	16.0
252.23259	6.2
267.23135	17.1
302.90073	3.6
327.27731	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36139	3.3
55.05505	5.9
55.19536	3.2
56.19460	4.3
67.05496	67.4
69.07059	11.9
71.04976	18.6
77.67227	3.8
79.05483	16.0
81.07050	80.3
83.08613	10.7
91.05474	17.6
93.07031	30.8
95.08601	58.6
97.10152	8.8
107.07953	4.0
107.08616	18.2
109.10150	20.4
113.09632	5.1
115.18472	4.2
119.04929	26.7
121.10136	54.0
123.11687	21.5
133.10139	4.5
135.11685	62.9
135.12662	4.8
137.13223	8.7
147.04411	100.0
147.11707	5.8
148.54439	4.4
149.13248	6.1
165.05478	31.3
179.45261	4.0
217.19493	12.5
235.20511	22.4
267.23135	28.1
307.09073	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	480.9909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66904	3.3
60.25638	3.3
62.43743	3.2
63.92919	3.3
64.96276	3.0
94.92986	14.3
96.92851	6.0
118.62018	4.0
119.40145	3.8
121.39524	4.1
136.93991	4.9
138.93877	4.7
144.93208	3.7
192.12659	3.7
239.09074	5.5
250.89476	11.9
250.97176	36.5
268.98199	100.0
314.90256	4.5
436.97775	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	481.0976
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
53.00291	0.6
53.03944	1.0
55.01864	1.1
57.03421	1.1
61.02916	2.1
68.99777	2.1
69.03420	6.6
71.04967	0.9
73.02901	0.8
81.03408	3.3
81.03803	0.5
83.01317	0.5
85.02898	18.8
87.04452	1.1
91.03947	0.6
96.75529	0.5
97.02883	6.5
99.04454	1.1
109.02856	3.2
111.00821	3.4
121.02949	0.6
126.01223	0.6
127.03912	2.9
129.23560	0.5
137.02332	3.2
137.05997	1.8
145.04944	2.1
153.01816	14.8
153.03009	1.1
165.01849	4.2
179.03372	2.1
183.02919	1.3
189.05429	1.5
195.02869	1.2
199.04060	0.7
203.03317	0.6
217.04915	4.2
245.04420	5.5
255.02698	0.7
263.05484	1.0
273.03989	5.3
290.04172	1.2
301.03311	1.2
319.04443	100.0
320.04761	1.6
380.20447	0.6
483.46124	0.6
507.68277	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1129
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
58.06588	15.4
63.50243	11.7
68.41094	9.2
69.12659	9.7
72.08141	10.0
73.69125	12.1
74.06062	9.9
88.04486	9.9
91.05456	14.5
95.08575	14.7
105.07019	12.4
121.06496	20.1
134.05093	12.5
137.05971	35.4
149.05841	12.0
259.05954	18.1
269.04599	13.5
269.83264	11.5
271.05981	56.2
282.57095	13.2
283.12982	12.9
390.48376	12.5
433.09155	31.8
445.09152	15.2
451.09854	25.8
463.10529	23.6
481.11172	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01210	0.8
54.72824	0.8
64.65359	0.9
69.03415	0.9
69.07047	1.3
75.44244	1.1
85.02876	1.5
86.38718	0.9
93.79825	1.0
127.03664	1.8
145.83792	1.1
161.28557	1.0
186.06522	1.9
215.05254	1.8
317.08411	3.1
481.16776	100.0
482.17056	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	481.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	2.9
57.07069	2.7
84.76971	2.2
120.51888	2.9
137.05997	3.9
186.94957	2.5
224.33597	2.6
348.59012	2.8
388.70670	3.2
397.00168	3.2
451.17294	19.5
481.18274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1831
Annotation	Maculansin A
Peak:m/z	Relative Intensity
56.96546	2.9
57.07069	2.7
84.76971	2.2
120.51888	2.9
137.05997	3.9
186.94957	2.5
224.33597	2.6
348.59012	2.8
388.70670	3.2
397.00168	3.2
451.17294	19.5
481.18274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2042
Annotation	Trp Phe Glu
Peak:m/z	Relative Intensity
55.05507	1.9
58.06590	4.7
66.55651	1.6
69.03418	5.8
81.07035	3.2
81.11656	1.6
85.02870	5.1
87.04517	2.9
97.02884	6.8
100.11252	4.8
115.03913	7.1
116.04317	1.9
121.06487	2.2
122.03658	3.1
123.11753	3.5
133.04922	3.2
137.05972	18.2
188.07477	2.0
294.69656	2.2
371.17673	2.3
481.20438	100.0
497.69281	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	481.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30876	0.4
60.04513	7.7
71.09842	0.5
85.02892	0.6
86.09696	28.6
87.05571	5.5
88.04012	0.6
91.05460	0.8
93.07034	1.5
103.05468	3.4
108.05453	0.5
108.18453	0.6
120.08094	100.0
121.08407	1.2
128.10707	3.7
134.04428	0.5
137.05949	0.7
173.12842	23.7
201.12329	9.7
281.11282	20.8
282.11566	0.8
303.17032	1.1
329.55109	0.6
348.19043	1.8
408.11536	0.6
456.24182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	35.9
57.07058	8.1
67.05488	54.4
69.07040	39.3
79.05498	12.1
79.94645	8.4
81.07046	57.5
83.08610	20.7
93.07037	9.0
95.08609	53.8
109.10159	28.0
157.03603	8.3
168.02979	10.1
179.04982	11.6
211.07785	8.6
221.05946	15.8
222.06624	13.9
223.03851	14.6
223.07541	16.4
225.05515	24.6
235.07588	26.9
237.09227	12.8
239.07199	10.1
241.04999	37.8
251.03319	9.4
251.07002	15.8
253.04939	9.6
255.06441	11.9
263.07007	27.5
265.08661	27.2
267.03201	15.8
267.06577	25.8
269.04401	44.6
279.06494	24.5
281.08014	35.8
285.04053	14.8
287.05594	10.8
291.09961	12.5
293.08127	15.2
295.09439	11.2
305.11725	9.8
307.09702	16.0
319.09579	17.0
427.22748	15.8
445.23770	46.6
463.24741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	40.0
67.05503	73.4
69.07063	48.8
73.03290	12.0
73.28617	11.1
74.61877	10.8
75.12613	13.6
76.12437	11.8
79.05483	12.8
81.07053	98.8
83.08611	32.3
91.02179	9.9
93.07043	15.7
95.08594	77.6
96.40605	13.3
109.10137	29.8
127.06191	12.9
129.79221	12.4
206.07106	15.5
207.04443	17.5
221.05971	19.2
223.04001	25.9
225.05476	19.1
235.07521	20.7
237.09142	27.5
241.04994	49.7
241.71646	15.0
249.05287	19.8
253.04982	29.6
263.07156	29.0
265.08600	33.8
267.03030	28.1
267.06363	18.0
269.04364	64.8
279.06543	34.9
281.08075	36.8
287.05377	20.5
291.10040	15.7
295.06155	17.6
305.03174	16.8
307.86008	15.6
345.52902	17.3
358.61694	14.5
422.59360	19.3
427.22800	17.5
440.20694	34.6
445.23563	74.7
463.24722	100.0
484.11581	15.8
493.12323	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83298	3.1
53.03944	4.3
54.09990	3.1
55.05501	43.1
57.03421	4.4
57.07067	10.9
60.11481	3.4
67.05491	33.5
69.03438	8.4
69.07081	14.6
75.27240	3.6
79.05476	29.5
81.07044	33.1
83.04964	23.2
83.08610	64.7
85.06563	6.8
85.40846	3.7
91.05472	31.9
91.69095	3.4
92.29762	4.1
93.07036	29.8
93.29689	3.8
95.04996	8.9
95.08622	15.5
99.04449	6.6
105.03403	5.3
105.07018	89.8
107.04944	57.3
107.08601	23.9
109.06534	17.5
109.10144	43.5
111.08078	20.0
117.07066	11.7
119.08560	23.6
121.06531	7.4
121.10175	7.9
125.06037	4.7
129.07027	10.1
131.07748	5.6
131.08556	29.7
133.06528	5.9
133.10114	32.8
135.08073	20.1
135.11673	5.2
137.09633	7.5
142.07805	9.4
143.08612	12.1
145.06499	10.6
145.10112	22.8
147.08109	9.0
147.11734	10.5
149.09688	6.7
157.10199	13.1
159.08122	13.0
159.11746	22.5
161.09644	14.6
161.13312	5.0
163.11224	5.4
169.10117	4.4
171.11674	6.4
173.09636	12.4
173.13342	9.3
175.11189	20.3
177.09164	8.5
177.12859	7.7
185.09688	5.0
187.11246	11.4
187.14832	23.5
199.11311	5.7
199.15147	4.4
205.12300	6.8
215.14363	13.1
217.12230	10.2
219.13846	11.9
223.15067	6.4
229.12122	4.9
229.16040	6.8
231.13852	11.3
233.15327	49.5
245.15706	4.5
247.16913	27.0
253.16000	7.8
257.15540	6.5
261.14993	12.9
275.16351	35.5
281.15405	4.5
289.17957	100.0
289.21088	7.0
294.05252	4.7
303.19507	4.6
363.23380	6.5
435.29117	8.9
463.28546	16.4
481.29758	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	481.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26320	9.6
55.05507	46.0
57.07064	22.0
67.05494	26.0
69.03408	16.8
69.07038	22.1
69.28436	8.0
71.04944	7.3
75.22563	8.4
79.05482	30.4
81.07042	41.3
83.04971	43.3
83.08611	53.0
88.30978	8.3
91.05472	38.9
93.07035	31.3
95.08611	23.5
99.04391	9.4
103.16563	9.2
105.07022	56.6
107.04939	13.3
107.08592	44.1
109.10139	41.4
111.08099	13.6
117.06948	12.0
119.08586	25.3
121.06456	11.4
129.06992	21.0
131.08566	46.7
133.10159	16.8
135.08070	12.9
143.08559	14.9
145.06503	19.5
145.10129	24.5
147.08069	11.1
147.11644	10.3
157.10103	15.7
159.08026	11.7
159.11688	19.6
161.09576	14.4
175.11090	11.5
181.09946	10.0
187.14847	15.0
193.10083	9.7
201.12755	22.1
203.63333	10.4
215.14252	12.9
216.99931	10.0
217.12199	14.6
219.13817	45.5
229.12157	10.8
233.15231	12.5
238.21712	16.1
243.13881	12.2
259.16870	16.5
261.14896	27.2
272.17728	21.9
273.18500	39.5
301.17981	16.3
307.17032	10.6
315.19598	100.0
345.22000	8.8
425.23492	25.0
435.28931	24.8
463.28906	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	481.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	1.7
58.06590	100.0
62.50891	1.0
65.82835	0.9
67.05482	2.4
69.03426	1.7
77.29428	1.0
81.07044	14.3
84.08131	6.8
85.02873	1.3
95.08583	1.9
97.02890	1.7
107.08571	1.1
123.11679	7.9
128.07471	1.1
135.04442	1.4
137.05954	3.1
139.72310	1.1
140.14331	17.9
146.05954	1.1
153.05386	1.1
156.22942	1.0
158.69012	1.0
161.06110	1.3
163.03862	1.4
189.05400	1.2
213.07535	1.0
307.72720	1.4
308.21774	1.5
325.05585	1.5
342.26477	1.8
419.24759	1.2
481.39923	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70842	2.0
56.05017	3.2
57.00148	2.1
57.43196	1.9
58.99589	14.9
74.00665	25.2
75.99123	2.5
76.02222	100.0
76.03984	3.6
84.04501	34.3
84.08101	3.4
86.09700	4.6
86.99061	5.2
93.24804	2.5
95.01347	7.1
102.05515	2.4
108.30988	2.2
109.62190	2.2
114.03706	2.6
116.01665	23.5
117.06247	2.3
121.40649	2.3
130.04970	16.4
133.72249	2.4
139.03874	6.0
141.01802	3.6
142.03273	5.9
144.01147	11.1
147.07648	6.9
162.02206	32.7
170.02760	12.0
177.03812	3.5
178.25677	2.8
179.04826	55.4
182.42833	3.2
232.02783	4.8
233.05963	6.6
241.71748	2.9
250.03787	11.6
257.59613	3.0
259.50983	2.7
308.09045	25.5
321.09024	3.8
335.05255	3.8
353.06454	20.3
407.07635	5.2
504.28531	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	482.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48149	0.2
51.85978	0.2
56.05015	0.9
58.06575	0.4
70.04847	0.3
72.08157	0.4
74.06068	100.0
74.09706	16.0
75.06422	0.3
75.54397	0.3
177.05412	0.4
427.16022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	12.0
57.07082	4.0
59.09417	3.7
59.10626	2.9
67.05499	34.4
69.03417	80.6
69.03766	4.8
75.04488	4.6
76.40386	3.2
81.03425	4.7
84.04547	4.0
85.02898	59.8
85.03368	5.3
87.04458	45.9
87.04942	3.7
93.07059	10.7
97.02882	56.6
107.08601	4.7
109.10137	56.2
110.07173	3.3
115.03915	66.6
115.04636	4.9
127.03968	7.0
133.04942	64.2
133.05847	3.5
135.11703	10.7
137.06029	3.9
145.05009	6.5
148.84067	3.6
150.07642	9.1
153.12740	100.0
153.13927	6.0
161.04518	5.4
167.14536	3.3
169.38164	3.7
177.20154	3.7
220.47975	3.6
259.08167	3.4
275.29532	3.8
277.09485	4.1
295.10324	7.9
492.12802	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	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31437	1.6
56.62876	1.5
57.03444	6.7
66.65337	1.9
68.49946	1.9
69.03424	26.8
69.07097	2.1
70.31766	2.0
79.05488	17.3
81.07065	2.6
83.05051	2.1
85.02896	25.6
87.04469	17.2
90.95037	1.9
91.05481	4.6
91.71655	3.0
92.07715	2.5
93.07037	42.9
93.07560	2.9
95.04977	2.9
95.08610	6.4
97.02887	22.2
97.03391	2.0
97.43344	1.9
105.07050	2.5
107.08576	28.8
109.02913	2.9
109.10085	2.7
112.23710	2.2
115.03922	29.1
127.03950	4.7
131.58675	2.0
133.04967	22.2
135.11685	100.0
145.04965	6.4
153.12755	2.3
163.06125	2.9
185.22655	2.6
267.15872	3.3
365.12277	3.1
385.44653	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	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72065	1.7
57.03416	8.8
57.07078	4.1
59.04983	3.1
63.91582	1.9
67.05495	3.0
69.03423	33.6
69.07059	10.9
71.04977	9.6
73.02908	2.2
75.04498	1.9
79.05470	4.6
81.07047	18.8
85.02898	29.5
87.04463	26.9
91.05488	3.7
91.71636	2.1
93.07023	15.3
95.08613	4.8
97.02881	32.3
97.06507	2.3
98.43156	2.3
105.04556	2.0
105.07042	3.9
107.08605	17.1
108.08842	2.4
109.06566	2.7
109.10181	4.6
115.03926	34.8
119.08492	2.7
123.04303	2.0
125.13325	2.2
127.03921	2.6
133.04968	28.4
135.11700	27.3
145.04929	3.7
145.10101	2.1
153.12733	100.0
175.05846	2.2
177.12794	3.3
202.02351	2.3
285.17068	3.0
295.10373	4.3
315.18265	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	482.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.0
57.03437	8.8
59.04982	2.2
59.76509	1.3
69.03413	10.8
69.07062	2.1
71.04977	12.0
73.02909	9.3
73.06532	4.3
79.05478	2.8
79.85895	1.4
81.07052	23.5
85.02898	14.1
87.04446	2.0
93.07034	10.7
95.08587	1.7
97.02878	18.0
97.06570	2.5
99.05334	1.5
107.08584	6.2
109.10149	1.7
115.03938	10.7
127.03934	3.8
133.04988	3.3
135.11702	21.3
137.06009	2.6
145.04944	1.7
153.12733	100.0
154.13106	2.5
162.84348	1.6
241.07166	3.6
248.00623	1.7
253.52147	1.9
462.93726	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	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	4.7
55.05495	8.1
57.03431	30.0
57.07063	28.6
58.85630	3.6
59.04987	10.7
60.18961	4.0
67.05485	14.9
69.03418	85.9
69.07063	100.0
73.02915	22.3
75.04459	7.5
79.05489	29.1
81.03425	10.9
81.07053	11.7
83.08620	29.1
85.02898	68.6
85.06538	6.9
87.04468	38.0
91.05462	8.4
91.71574	7.3
93.07036	59.7
95.04938	5.7
95.08594	96.4
97.02882	81.3
97.06532	13.7
97.67255	4.5
98.06021	4.3
99.51408	4.1
105.07018	6.1
107.08594	58.3
109.10157	29.0
115.03925	70.4
125.13259	12.4
127.03938	12.4
133.04994	36.5
135.11674	92.9
137.02405	5.6
137.05923	7.9
145.05067	6.3
147.45415	5.9
153.12735	69.3
160.93799	4.6
171.13780	54.7
177.05527	13.5
195.02956	5.4
205.04897	5.8
237.63234	5.3
325.05618	7.3
365.47589	5.8
441.14096	9.4
482.17056	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47719	0.9
56.04989	1.0
56.91065	1.0
57.07064	5.4
58.06591	1.5
60.08154	17.3
67.05495	1.9
69.07053	1.1
69.60741	1.0
71.07016	1.3
71.07349	8.2
71.08611	2.7
80.51823	0.9
81.07046	2.1
85.10207	1.3
85.70566	1.0
86.09692	56.6
91.71724	2.0
95.08585	2.1
98.98461	2.2
104.10732	100.0
116.20512	1.1
124.99992	27.1
143.72963	1.3
155.25607	1.2
184.07323	80.1
191.29398	1.2
269.08817	1.1
299.25778	1.5
332.10965	1.1
413.00888	1.6
464.31335	4.8
482.32321	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	482.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07054	6.4
60.08160	21.2
71.07360	4.2
79.41137	2.0
81.07057	3.4
86.09702	49.9
98.49585	2.2
98.98442	5.1
104.10738	100.0
125.00005	20.9
137.86134	2.3
184.07332	71.3
184.08929	3.8
274.79568	3.1
278.70398	2.8
347.19949	2.3
352.34998	2.4
464.31549	4.3
482.32428	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	482.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08145	8.0
60.28618	2.0
66.62524	2.5
68.61123	2.3
71.07346	3.0
86.09696	36.7
98.98457	5.8
104.10722	4.7
124.99988	20.8
184.07326	100.0
201.68491	2.7
231.45329	2.5
342.06906	3.3
471.12967	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	482.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07058	5.9
58.92362	2.0
67.05489	7.1
67.76497	1.8
68.56845	1.6
69.07056	3.1
70.02931	5.5
71.08604	2.0
72.04491	3.1
73.02905	7.1
81.07041	2.2
89.06021	24.7
90.05547	12.0
95.04961	6.3
96.08111	2.9
98.02415	12.1
100.03977	3.3
103.07597	2.5
113.06020	3.0
116.03433	11.4
124.07583	17.9
130.08655	7.7
133.08620	17.4
142.08594	14.0
154.03859	2.2
177.11215	5.4
184.09676	11.7
193.09984	2.2
202.10722	100.0
210.00970	2.4
220.11748	10.5
250.92143	2.0
283.17490	13.5
417.52377	2.3
467.86441	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43508	4.0
57.07067	85.1
69.07069	12.0
71.08618	85.5
72.64698	5.4
83.08627	8.0
85.10168	49.5
89.06020	100.0
89.06541	8.3
91.71623	6.6
92.65543	4.9
99.11735	6.3
100.35574	5.3
111.11746	6.0
113.13322	8.4
117.34423	6.3
127.73930	5.2
130.08679	15.9
133.08585	57.0
133.09360	4.7
162.19595	5.4
170.24985	5.1
177.11241	16.3
178.12556	6.2
179.19987	5.6
196.62299	5.3
198.16393	4.7
250.62401	5.4
251.84105	5.2
283.17459	26.8
465.37939	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	482.405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77354	7.3
57.06842	8.2
57.07072	92.1
59.01884	7.6
68.46930	8.6
68.59007	7.8
68.60358	7.4
71.08614	57.5
74.98197	7.9
84.33076	8.2
85.10176	29.7
86.53783	8.9
89.05595	10.4
89.06030	100.0
106.61095	8.2
109.10166	11.0
110.03227	9.5
117.69833	9.2
130.08641	37.5
133.08588	77.0
141.37605	8.7
164.09412	9.5
176.08057	9.4
177.11191	20.1
247.13043	9.6
283.17599	29.4
315.19492	17.0
362.50836	11.5
465.38141	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	483.1283
Annotation	Silydianin
Peak:m/z	Relative Intensity
55.52703	0.7
56.11449	0.8
56.20280	0.7
61.79201	0.7
65.03949	3.5
67.05502	2.2
74.06087	2.5
74.09734	2.2
81.07049	0.9
90.22141	0.9
92.10403	0.8
95.04967	1.2
105.73283	0.8
108.02081	2.2
109.02918	0.9
111.04469	1.9
116.19250	0.9
129.78160	1.0
141.05493	3.0
141.07056	1.4
151.03903	87.5
165.07118	1.7
172.05287	1.4
181.06532	1.4
183.04491	0.9
185.05957	1.1
187.07626	1.3
197.06049	1.3
198.36819	1.0
200.04796	3.7
204.03679	0.9
209.06023	1.3
213.05591	1.3
215.07051	1.3
228.04178	6.7
231.80786	0.9
237.05576	3.8
239.78749	0.9
243.06534	9.1
248.09470	0.9
255.02882	1.1
256.03671	5.4
265.04913	7.3
271.05984	100.0
279.79105	1.0
282.05377	1.8
285.07758	2.7
297.07486	8.7
315.08643	10.0
483.12802	2.6
506.01010	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1629
Annotation	Antibiotic 1072A
Peak:m/z	Relative Intensity
50.51939	5.2
54.04851	4.6
63.62830	5.2
70.06580	12.4
72.08146	10.3
86.09716	12.1
95.08558	6.1
104.75292	6.0
107.08641	6.1
135.06891	6.1
221.40656	8.2
286.62109	7.6
329.21725	7.4
483.16388	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	483.1833
Annotation	Trp Asp Tyr
Peak:m/z	Relative Intensity
52.26094	1.4
59.72190	1.3
127.03681	3.7
135.11758	2.4
139.03825	2.0
164.47818	1.9
180.03400	1.9
193.20451	1.9
193.43684	1.6
230.69286	1.7
317.08594	5.6
341.26376	2.1
483.18298	100.0
489.00043	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	483.1835
Annotation	6-O-(4-Methoxybenzoyl)-ajugol
Peak:m/z	Relative Intensity
50.34381	2.1
50.50593	2.0
51.55219	2.1
54.47925	1.9
56.25158	2.1
58.06574	2.7
65.90884	2.2
65.94676	2.2
66.56098	2.5
66.56478	2.3
73.86594	2.8
77.64419	3.3
81.07047	3.3
98.43382	3.0
104.59916	3.1
109.71459	2.7
137.05954	6.4
144.03867	3.4
199.41890	3.0
251.60876	3.1
256.24844	3.2
277.14130	4.2
303.12244	3.5
321.13107	28.5
435.38977	3.6
483.18271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67642	5.3
59.92635	4.3
74.06078	7.3
80.58981	6.8
83.04991	5.3
91.70970	6.5
100.16799	5.1
151.03854	7.8
243.02928	5.8
288.40506	6.2
414.40295	6.9
470.34399	6.3
483.19919	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39627	1.2
55.05497	1.8
56.68829	1.2
57.06802	1.4
57.07072	26.5
61.31414	1.2
68.05005	2.2
70.06586	32.2
71.04982	12.8
72.08149	2.9
72.56558	1.4
74.84047	1.4
79.05456	1.5
80.05003	2.4
88.12748	1.3
91.05477	1.8
95.06080	20.6
111.08043	4.0
112.08761	2.2
114.10315	2.7
129.09174	2.4
146.06020	1.7
152.03448	1.9
180.35678	1.6
193.08621	2.0
224.05504	2.5
284.82056	1.6
308.11325	3.3
323.08743	2.3
378.15607	5.9
420.17502	2.2
424.16235	2.4
483.20847	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41922	1.3
56.86266	1.3
57.06803	1.7
57.07067	30.8
57.36639	1.3
60.05644	1.6
63.98968	1.5
64.48413	1.3
68.05022	3.0
70.06229	2.6
70.06582	27.8
71.04987	13.5
80.04993	2.3
83.08604	1.9
85.02872	2.4
91.05473	3.1
95.06081	21.8
108.04489	2.4
111.08085	2.4
112.08748	2.0
129.09094	4.0
138.15376	1.6
151.03902	1.6
161.06067	2.0
180.06473	1.9
198.03712	1.8
206.08176	2.1
210.39027	1.8
266.83148	1.9
276.08560	2.2
308.11374	3.1
323.08621	2.5
326.12387	3.5
378.15396	8.2
423.17795	2.2
424.16061	4.0
483.20798	100.0
484.21170	3.8
502.32803	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	483.22
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70423	1.3
61.25584	1.4
61.88895	1.5
63.60929	1.5
73.71618	1.4
91.05456	3.9
91.65044	1.5
93.07043	20.3
94.07370	1.8
100.73244	1.4
118.11403	1.6
123.05392	2.1
125.27940	1.6
128.85373	1.5
139.11388	1.5
151.03943	7.7
155.60628	1.6
271.06012	4.4
337.16418	2.5
349.11087	6.3
359.57559	2.4
397.86438	1.9
423.67865	1.9
483.22006	100.0
484.22275	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	483.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	5.9
55.05503	12.4
56.05063	5.1
56.18176	4.3
57.03426	6.8
63.37396	4.3
66.82420	4.4
67.05492	23.7
69.03416	17.6
69.07071	12.5
79.05468	14.2
81.03409	17.6
81.07052	37.3
83.04970	7.4
85.02904	12.4
91.05469	12.5
93.07038	18.9
94.14609	5.5
95.05010	5.8
95.08595	19.2
97.02894	13.1
97.86086	5.2
99.31023	6.3
105.07015	10.8
107.08592	8.5
109.02841	6.2
109.06497	7.6
109.10147	6.3
119.08611	9.1
121.10154	8.3
127.03925	11.2
129.64931	5.3
131.08516	15.6
135.08046	7.4
159.11703	6.3
247.16971	10.6
309.07281	6.4
321.20554	11.2
329.56882	6.8
483.21851	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87262	6.6
55.05507	8.4
55.23772	6.1
57.03429	32.2
57.07078	7.5
58.76688	7.2
58.77028	6.0
67.05488	15.5
67.07622	6.8
69.03416	54.5
69.07066	62.2
71.81804	7.0
73.02908	41.0
79.05481	28.7
81.07039	17.1
83.08590	15.8
85.02908	53.7
91.05486	14.0
93.06561	6.8
93.07031	48.5
95.04942	7.1
95.08607	44.8
95.61967	7.5
97.02886	52.2
107.08579	50.5
109.02894	12.4
109.10204	9.0
115.03940	24.4
127.03901	12.6
135.11703	100.0
138.27118	7.1
139.03932	23.6
145.04933	13.6
151.03889	21.8
153.12752	25.5
171.13791	11.5
174.76842	8.4
224.55966	10.1
274.93979	8.7
275.25259	7.6
299.05573	18.1
299.08807	10.0
320.67001	9.5
366.75497	9.4
483.18414	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	483.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	12.8
55.05493	17.4
57.03421	35.2
63.26306	11.3
67.05489	75.2
69.03416	48.6
69.07044	24.2
71.04982	30.8
79.05474	48.5
81.03397	64.1
81.07034	100.0
85.02875	34.4
91.05476	48.7
93.07050	55.6
95.04922	14.9
95.08594	54.3
97.02851	14.6
98.17716	13.7
105.07019	51.1
107.08568	27.8
109.02875	26.5
109.06548	29.0
117.07047	28.3
119.08578	54.9
121.10146	38.2
123.08041	27.2
129.52173	15.1
131.08542	35.8
133.10123	33.2
137.06035	20.1
145.10144	24.2
149.09685	19.5
159.11699	19.4
163.11130	14.7
182.98175	15.2
220.26897	15.0
229.15872	20.1
239.42207	16.0
321.20593	39.7
329.86475	20.1
385.18329	16.4
424.40469	18.8
464.38925	18.0
483.26053	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	12.8
55.05493	17.4
57.03421	35.2
63.26306	11.3
67.05489	75.2
69.03416	48.6
69.07044	24.2
71.04982	30.8
79.05474	48.5
81.03397	64.1
81.07034	100.0
85.02875	34.4
91.05476	48.7
93.07050	55.6
95.04922	14.9
95.08594	54.3
97.02851	14.6
98.17716	13.7
105.07019	51.1
107.08568	27.8
109.02875	26.5
109.06548	29.0
117.07047	28.3
119.08578	54.9
121.10146	38.2
123.08041	27.2
129.52173	15.1
131.08542	35.8
133.10123	33.2
137.06035	20.1
145.10144	24.2
149.09685	19.5
159.11699	19.4
163.11130	14.7
182.98175	15.2
220.26897	15.0
229.15872	20.1
239.42207	16.0
321.20593	39.7
329.86475	20.1
385.18329	16.4
424.40469	18.8
464.38925	18.0
483.26053	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	20.1
58.01563	8.9
67.05499	57.1
69.07050	21.6
74.06071	9.0
79.05493	29.2
81.07047	66.6
91.05466	21.3
93.07034	34.4
95.08591	44.9
105.07022	20.3
107.08575	23.6
109.10123	22.0
111.04440	11.9
119.08573	16.3
121.10118	19.0
131.08595	21.8
133.10101	17.5
137.02342	100.0
137.03342	16.5
139.52383	10.6
149.09615	11.3
159.76900	11.1
173.55272	10.4
196.65390	13.5
275.20065	88.2
293.20990	88.5
311.22153	19.7
315.75211	14.5
337.84750	12.0
465.24728	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	483.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99404	1.2
53.00296	1.5
53.03930	1.5
55.01867	1.7
55.05256	2.5
55.05508	31.2
55.63488	1.1
57.03183	1.9
57.03428	13.9
57.06846	1.4
57.07077	19.1
61.50947	1.1
67.05505	6.4
69.07062	41.8
70.20299	1.4
71.01021	1.0
71.08627	11.0
71.13772	1.2
79.05484	2.6
81.07053	7.7
83.08616	31.0
85.10165	4.7
93.07033	5.9
95.08606	5.3
96.47251	1.3
97.06541	2.8
97.10160	21.3
98.98469	12.1
107.08575	4.8
109.10165	1.7
111.11713	4.2
121.10146	4.3
125.13265	2.2
132.65004	1.5
135.11703	3.5
155.01036	3.9
189.97211	1.7
206.34079	1.4
270.51050	1.5
273.39474	1.4
311.25778	100.0
315.33206	1.3
328.02234	1.8
366.59311	1.5
376.92023	1.4
401.57831	1.4
447.24765	3.4
483.35693	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22454	2.6
57.07060	4.2
72.65385	3.6
117.37711	3.2
134.41908	3.1
136.76749	3.0
146.22711	3.6
216.56194	3.8
218.71632	4.0
231.34261	3.8
277.25928	3.4
280.17609	3.9
319.22458	24.9
335.88684	4.1
418.82333	3.9
483.27203	100.0
484.27820	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	483.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05256	2.2
55.05505	31.0
55.05751	3.3
57.03431	12.7
57.07063	17.9
67.05492	6.9
69.07059	34.9
71.08612	9.4
81.07054	7.8
82.50859	1.7
83.08607	31.7
83.46203	1.4
85.10150	4.2
93.07020	3.5
95.08611	5.8
97.06508	2.1
97.10156	20.6
98.98466	11.0
107.08598	3.0
111.11736	5.4
120.00627	1.6
121.10168	2.9
131.90829	2.1
135.11688	5.8
138.75650	1.7
147.06740	1.7
151.55122	2.1
155.01073	5.6
224.18605	1.7
242.49043	1.8
311.25772	100.0
312.26385	2.7
343.57211	2.3
447.24939	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	483.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31874	5.5
55.05499	9.8
57.03444	5.8
57.07067	100.0
58.91413	5.2
67.05491	29.6
69.07063	10.1
81.07053	36.8
83.04984	8.3
85.06538	31.1
91.05478	22.4
91.70995	7.7
93.07032	19.1
94.10365	6.8
95.04979	13.9
95.08603	17.1
105.07027	17.9
107.04914	8.3
107.08572	9.5
109.06485	7.5
119.04926	9.0
119.08609	9.1
120.96674	10.6
121.10164	8.5
123.04433	7.2
129.07033	7.1
131.08603	14.5
163.11218	16.5
173.10884	7.9
175.34050	8.0
204.09236	8.4
227.20372	7.4
269.15552	9.6
277.16046	9.0
292.92651	8.9
351.03455	9.5
363.19516	10.5
363.28827	16.1
367.19009	20.3
385.26819	14.9
444.22430	8.5
446.05368	9.2
447.25217	69.1
465.26294	19.8
483.25043	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	483.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	35.6
55.05498	8.1
57.06806	7.3
57.07068	100.0
67.05495	10.8
69.07064	8.2
79.05475	31.6
81.03398	16.1
81.07055	23.8
82.91084	7.1
83.04963	23.3
83.08622	8.5
85.06553	37.1
91.05476	25.9
93.07053	18.6
95.04964	23.1
95.08617	13.4
97.54393	7.0
105.07015	20.8
106.99393	7.3
107.04927	40.7
109.06543	13.1
109.10165	11.9
111.08082	30.0
117.07027	9.5
119.08610	9.0
131.08563	8.5
132.98941	7.9
137.09627	11.8
143.08524	12.2
145.10133	7.7
147.07973	9.4
151.07455	9.5
151.11151	13.0
155.08582	8.8
159.08080	11.0
173.09595	10.4
187.11217	13.2
189.12695	12.4
203.10620	11.0
217.12279	18.4
225.07642	11.0
229.12408	10.7
241.12140	8.6
243.13817	9.4
255.66742	8.3
267.13770	10.8
297.14990	9.5
325.21594	9.9
363.19604	17.1
369.20688	40.8
429.24011	14.5
447.25186	52.4
454.30695	9.3
465.26059	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	483.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	3.6
55.05493	6.6
55.54984	3.2
57.06796	7.3
57.07065	100.0
59.04983	3.5
65.03880	3.3
67.05490	21.8
69.07048	10.5
72.34201	3.6
79.05486	23.4
81.07059	22.1
83.04974	8.2
85.06528	36.3
86.39854	4.6
91.05488	21.3
91.71077	8.4
93.07049	12.9
95.04954	20.0
95.08597	13.3
103.05459	6.5
105.07014	36.5
107.04944	30.5
107.08592	9.4
108.48995	4.5
109.06533	8.4
109.10190	7.0
115.05450	4.9
117.06985	8.1
117.70828	3.9
119.04936	6.1
119.08535	9.4
119.50695	3.8
121.02840	5.1
121.06480	4.4
129.07004	15.6
131.08524	10.9
133.06464	26.4
145.06445	7.7
145.10164	5.8
147.08026	10.8
151.07545	17.7
151.11154	9.3
155.08578	6.8
159.08041	12.6
163.11244	6.7
165.09187	6.9
171.08064	6.0
175.11206	12.5
177.09109	10.3
187.11305	6.1
189.12735	64.4
191.10674	14.4
192.26607	4.6
201.12689	8.2
203.14360	11.4
206.63458	4.3
213.68852	5.2
217.12245	44.1
219.10077	5.6
228.73210	4.6
231.13831	9.1
243.13837	14.9
248.54823	5.3
249.14944	12.9
255.13907	7.0
259.13434	8.9
261.14648	6.0
267.13681	5.0
363.19141	5.5
381.21176	5.2
429.24414	7.8
447.25290	54.1
465.26376	23.0
483.25107	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	483.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93711	13.8
51.06954	14.5
53.03949	17.7
55.05507	36.3
57.07070	100.0
60.17189	12.7
63.32508	12.7
67.05513	47.1
69.03443	21.6
69.07079	25.3
79.05492	57.0
81.07056	34.9
83.04989	75.1
85.06551	26.3
91.05464	31.5
93.07050	27.4
95.04983	25.7
95.08620	32.1
105.07042	33.7
107.04958	22.8
107.08607	19.8
109.10178	40.2
111.08118	25.4
117.21358	22.3
117.92316	16.7
119.08579	28.4
124.71000	18.6
128.14177	14.5
131.08655	19.9
133.10130	21.5
143.08589	23.6
145.06526	21.2
172.32291	18.2
193.08572	17.6
208.96776	17.4
245.15552	19.5
254.43483	17.9
299.20346	56.0
409.23816	64.8
422.32602	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3107
Annotation	Kuguacin F
Peak:m/z	Relative Intensity
55.05499	54.3
57.07059	56.0
60.27031	17.3
61.83679	16.9
67.05493	46.7
69.07088	28.7
70.02989	19.6
78.78935	17.7
79.05488	41.6
81.07051	77.2
83.04973	99.7
83.08609	68.2
84.25397	21.2
91.05478	45.6
91.70998	25.7
93.07037	92.1
93.27893	17.8
95.08607	50.7
102.88004	21.1
104.43536	23.4
105.07028	97.0
107.04935	48.9
109.10147	100.0
118.03677	21.8
119.08609	42.8
119.55473	19.7
121.06525	27.0
123.08181	20.8
125.66364	22.0
129.07021	29.4
131.08615	27.2
133.10091	42.5
135.08083	20.6
145.10100	56.9
147.11694	30.0
150.43317	21.0
154.61438	23.4
173.13391	26.0
219.13890	38.9
233.15446	61.3
273.18567	81.8
338.85495	27.6
447.28647	49.8
465.45425	26.7
483.35849	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	18.8
57.07069	14.4
61.05963	12.1
61.34058	9.6
67.05489	44.3
69.07065	20.1
79.05502	22.1
81.07048	100.0
83.44617	10.4
89.06013	30.8
90.06312	11.9
91.05494	21.5
93.07008	69.7
93.42938	11.9
95.04932	11.6
95.08607	85.9
105.07030	33.5
107.08556	66.6
109.10127	73.9
119.08562	54.8
121.10149	66.9
123.11694	32.9
127.11153	24.5
133.08507	17.6
133.10098	37.8
135.11685	53.0
143.39447	14.6
145.10077	14.8
147.11655	37.7
148.83238	13.0
149.13266	34.8
153.12758	15.3
159.11690	22.3
161.13251	21.5
163.14803	26.6
173.13202	18.8
175.14839	23.5
177.11359	14.2
229.19469	14.1
299.72137	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	484.2694
Annotation	Sczukitine
Peak:m/z	Relative Intensity
67.05494	29.3
69.07062	17.8
79.05469	19.9
81.07048	26.7
90.51749	15.1
91.05466	66.7
93.07044	57.4
95.04948	15.6
95.08601	35.1
105.07018	100.0
105.74449	17.6
107.08591	49.1
109.10177	29.9
115.05432	24.2
117.07017	63.4
117.79272	15.1
119.08533	87.0
121.10137	28.5
121.20087	17.8
131.08577	55.2
133.10130	74.8
136.40962	17.8
138.01877	47.7
140.03400	23.8
143.08609	47.3
145.10144	40.1
155.08664	19.0
157.10129	53.3
159.11746	24.5
169.10141	24.8
173.13261	59.2
176.07149	15.7
188.05470	18.2
199.14859	28.8
260.28732	18.4
278.10309	23.6
392.20679	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32461	5.6
55.05507	39.7
57.07066	17.2
64.55408	7.0
67.05495	34.1
69.03429	11.6
69.07050	13.5
79.05485	8.9
80.23514	6.9
81.07044	30.2
83.04961	98.0
83.08617	37.9
90.03934	8.3
91.05490	23.5
93.07039	26.2
95.04945	8.5
95.08611	26.2
103.99034	6.8
104.26646	6.8
105.07048	36.7
107.08589	26.4
109.06507	40.7
109.10152	48.2
111.08082	22.6
117.07088	9.3
119.08598	27.5
120.97964	7.9
121.06387	8.8
121.10164	15.4
129.06996	10.3
131.08603	13.0
133.10133	20.1
135.08057	22.1
143.08536	17.1
145.10109	16.5
147.08034	13.1
153.25658	7.8
157.10085	10.6
159.11734	12.6
161.09634	27.9
199.14854	8.9
213.29898	8.0
217.15906	59.3
231.13826	9.4
233.70003	7.7
245.15431	20.6
252.66122	8.2
259.16953	32.0
273.18454	38.3
299.20047	100.0
393.24286	52.4
431.29471	18.9
449.30695	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	484.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85897	6.3
57.07065	42.6
60.76225	6.0
64.75817	6.3
65.98294	6.4
71.08630	34.8
71.68691	6.3
85.10189	33.5
89.06029	100.0
98.06017	8.7
109.66308	9.4
115.61179	7.6
117.09089	9.0
130.08646	24.3
133.08606	68.9
157.66512	8.8
177.11252	17.6
201.87787	8.7
229.21614	11.7
266.42093	8.9
467.35495	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	485.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69113	1.7
55.01861	18.5
56.73685	1.7
66.54414	1.7
68.57605	1.7
68.70137	2.0
79.05481	3.0
91.05448	3.8
95.04950	3.6
105.03305	2.1
107.04956	6.0
109.46552	1.9
111.04433	3.7
116.83094	1.9
119.04966	16.7
123.04427	5.6
127.03896	4.1
133.02837	2.8
135.04410	10.0
137.06009	4.2
139.03886	100.0
147.04399	24.7
151.03888	85.0
151.51563	2.1
153.05490	4.7
159.04410	2.8
161.05971	2.5
163.03876	78.0
165.05469	41.3
167.07002	2.9
169.04906	3.5
175.03911	2.6
177.05437	2.8
179.07014	45.1
181.04994	6.9
189.05473	6.1
193.04932	27.2
193.08673	4.7
195.02847	2.5
233.08099	2.8
244.72810	2.4
259.05942	4.4
301.06976	21.0
317.10144	23.9
319.08099	64.3
329.10107	3.8
431.62305	2.2
449.31284	2.7
467.13144	4.6
485.23413	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	485.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79849	3.3
54.02964	3.0
55.01860	12.0
70.75835	4.0
76.28401	3.5
91.05465	4.5
93.07030	5.0
95.04981	6.3
117.07111	3.7
119.04950	17.2
120.50926	4.1
121.02895	4.3
135.04404	9.2
137.05977	9.5
139.03893	100.0
147.04425	16.5
149.05969	5.0
151.03894	71.9
163.03874	76.0
165.05499	32.3
167.07030	5.4
177.05420	5.9
179.06976	28.7
188.26750	5.3
189.05501	7.9
193.04930	28.1
193.08499	5.8
205.05083	5.4
233.08035	4.9
301.07047	15.9
317.09988	19.8
319.08051	43.2
370.15976	5.3
372.14349	4.9
485.17728	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	485.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	19.4
60.19474	4.5
91.05439	6.6
97.02857	5.4
119.04941	14.6
123.04405	12.4
123.44096	6.9
130.06464	6.6
130.33032	7.0
135.04408	10.7
137.06023	10.4
139.03894	95.6
144.70361	5.5
147.04408	20.6
149.05920	5.9
151.03894	94.4
151.72458	5.4
152.70241	6.1
163.03896	100.0
165.05458	33.3
177.05443	8.5
179.07010	46.4
181.05069	7.1
193.04970	34.1
233.53691	5.9
249.37544	6.0
260.47095	5.7
301.07166	20.4
317.10217	33.4
319.08054	57.9
360.07043	6.4
374.95151	6.4
485.17810	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	485.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86325	2.1
57.85530	2.2
58.19721	2.2
59.45695	2.3
60.38507	2.3
71.50544	2.2
91.71104	2.6
102.88239	2.8
103.22421	2.3
105.43384	2.7
137.05945	5.7
181.08522	4.0
250.60530	2.9
256.67383	2.9
291.12476	2.7
347.09613	5.8
485.16141	100.0
507.32166	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	485.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04986	1.8
69.16486	1.5
90.62763	1.8
91.51556	1.6
93.59838	1.7
117.46246	1.7
119.04971	2.0
122.07406	1.8
128.81172	1.9
137.05946	7.2
137.28333	1.9
151.07582	2.5
181.08524	5.6
317.08704	2.9
485.16245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	19.5
80.34740	5.1
91.05466	8.8
107.08614	6.1
119.04926	11.3
121.02894	5.4
121.06425	5.2
123.04410	7.2
135.04446	12.7
137.05971	9.7
139.03885	100.0
147.04410	22.5
151.03880	85.3
151.04924	7.8
163.03897	88.6
165.05481	37.0
175.03958	6.7
177.05559	7.7
177.37775	5.7
179.06996	41.5
181.04868	7.1
187.17264	5.6
193.04958	33.8
207.63841	6.4
216.92337	5.1
230.12910	5.8
250.00259	6.5
301.06976	24.7
307.19180	5.7
317.10205	26.8
319.08069	48.8
485.17743	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	485.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77571	5.1
55.01868	5.6
57.07076	19.6
59.94444	4.7
60.04532	9.2
72.09722	5.7
80.81469	5.5
91.71633	13.0
95.05059	7.3
102.87106	6.3
105.07046	10.2
116.52266	5.8
119.04956	6.1
123.04468	7.4
133.06555	14.8
139.03949	28.7
149.06046	7.5
151.03917	33.3
161.06030	23.4
163.03885	39.3
163.07552	6.6
165.05545	8.9
179.03410	13.4
179.07120	22.7
189.05556	13.8
193.04968	13.4
200.43456	7.1
207.06541	9.6
215.07014	9.1
235.06004	8.0
240.70006	6.9
241.12326	8.9
245.04697	7.1
246.59776	6.8
252.51283	8.2
287.12970	8.1
301.07202	9.1
309.05948	29.7
317.10266	12.6
350.13913	7.3
351.14212	7.0
425.14270	41.3
443.15512	100.0
485.20065	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	485.2001
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
53.03700	3.3
57.07058	20.6
59.04956	3.7
60.04509	11.1
62.06116	4.5
63.20969	3.6
81.07029	4.7
83.01314	4.6
83.08601	5.3
95.08599	7.0
105.07000	4.3
105.08614	4.7
111.34171	4.4
113.09585	4.6
125.77674	4.1
157.10199	4.8
175.07402	5.9
185.09645	6.8
205.08440	4.5
249.88101	5.4
297.11176	6.7
305.10211	7.8
315.12482	6.3
317.08389	32.8
343.11697	5.7
361.12863	10.8
379.14212	7.7
425.14444	8.0
443.15414	41.8
485.19852	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1993
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
55.84990	3.1
67.62261	3.8
70.06569	7.0
81.07086	3.7
84.77652	4.0
85.02890	6.5
97.36385	3.8
100.11245	4.9
114.09187	10.1
117.40717	3.9
136.14223	4.7
137.06001	10.0
181.08638	6.1
192.72438	3.9
200.35660	4.1
209.83716	4.1
210.14799	5.6
224.04362	3.9
363.20703	4.9
411.68643	4.4
485.19955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55729	5.1
52.76262	5.2
55.84159	4.8
56.74587	5.7
57.07073	20.5
58.49717	5.6
60.04523	7.2
62.06078	6.2
71.78851	5.5
80.82079	6.1
103.52121	6.4
117.06986	6.8
133.06522	19.1
137.06006	8.8
139.03946	20.4
147.04402	9.9
149.06071	8.3
151.03975	22.4
161.06035	22.3
163.03958	21.4
165.05499	11.1
179.03363	10.0
179.07117	14.7
189.05539	15.0
191.07036	10.7
193.04974	8.0
235.06180	12.8
301.07019	10.5
309.06000	31.0
317.10251	17.7
425.14291	38.4
443.15427	100.0
451.22549	7.4
485.19983	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	485.23
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	7.5
57.07067	38.3
58.30690	5.4
59.58347	6.3
67.05482	13.5
71.08623	33.4
80.61771	6.9
81.07039	8.1
82.75945	6.8
83.08623	9.9
85.10160	12.8
88.87373	6.6
90.76967	6.7
94.77406	6.3
98.71415	7.1
98.98460	17.3
109.10154	8.9
113.25755	7.4
113.78964	7.5
155.01015	11.4
158.91830	7.1
161.19756	6.7
242.36876	7.6
276.25201	7.8
277.67053	10.6
291.04123	8.4
313.27301	100.0
485.22995	43.1
485.28964	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.23
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22525	5.7
55.05500	6.7
57.03434	16.5
57.07071	42.9
67.05500	11.9
69.04534	21.5
69.07052	8.8
71.08615	31.5
77.09693	6.0
81.07040	12.9
83.08617	11.4
85.10165	20.8
89.28772	5.9
91.71076	15.2
95.08597	15.3
97.10171	9.9
98.98476	18.5
204.90903	6.6
214.46790	7.2
229.18576	7.2
261.05841	7.2
305.12439	7.9
313.27322	100.0
485.22910	19.7
485.29138	16.3
503.20081	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	485.2355
Annotation	LG-629
Peak:m/z	Relative Intensity
52.45955	2.2
53.13545	2.1
58.71520	2.2
79.39859	2.1
81.07035	7.0
115.07481	2.4
118.63914	2.3
126.90736	2.7
137.87379	2.8
192.13434	2.6
353.16605	2.8
407.55133	3.1
485.18015	5.6
485.23560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	24.5
57.03423	14.6
57.07059	8.6
61.02907	29.3
61.03189	6.4
67.05507	37.2
67.27753	6.7
69.03419	13.6
69.07056	18.3
73.02897	10.0
79.05492	51.3
81.03411	7.9
81.07052	61.6
83.08585	7.6
85.02911	25.6
85.74709	6.6
87.38722	6.2
90.24337	5.7
91.03926	7.4
91.05467	70.8
93.07040	85.1
95.04967	10.7
95.08597	53.3
97.02921	14.2
105.07028	93.0
105.07690	9.7
105.49939	7.0
107.08579	42.7
109.10150	17.1
117.07014	22.1
119.08573	66.3
121.10128	44.9
123.11672	7.2
129.07027	18.6
131.08572	36.0
133.10127	91.9
135.11714	32.4
143.08600	25.6
145.10091	39.5
147.11711	81.0
149.09680	8.5
153.20999	6.6
157.10155	34.2
159.11719	24.3
161.09552	7.9
168.63687	8.4
169.10155	11.1
171.11665	35.7
185.13159	19.1
189.16438	13.2
203.17989	24.7
213.16374	76.2
231.17406	88.6
249.18527	10.0
252.24139	8.0
305.21036	19.4
323.22159	100.0
339.04211	8.8
413.22946	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	485.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	22.8
57.03444	12.0
61.02928	16.7
67.05508	47.4
69.03416	11.9
69.07068	14.6
73.02891	12.7
79.05513	33.5
81.07075	45.3
83.08629	13.4
85.02921	40.0
85.70273	9.3
86.09713	53.8
91.05482	68.1
93.07025	67.3
95.05074	11.3
95.08632	29.8
97.02924	28.4
102.55584	9.8
105.01900	10.7
105.07004	82.2
107.08637	39.7
107.51440	11.8
109.10221	18.4
117.07054	32.1
119.08537	65.9
121.10172	43.7
125.98853	10.4
127.80048	10.8
129.07045	18.6
131.08627	33.4
133.10109	93.1
135.11731	30.8
140.09624	10.6
143.08635	16.8
145.10185	31.2
147.11655	71.5
149.13293	13.7
157.10161	24.9
159.11690	18.9
171.11736	33.0
189.16490	18.6
191.19092	11.1
198.56715	11.7
203.18031	21.8
213.16408	59.0
231.17407	90.2
323.22192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98921	2.4
74.75349	2.6
91.71730	5.7
99.58839	2.9
115.19444	2.8
132.19257	3.2
162.76813	2.9
200.58543	3.1
321.23929	13.5
342.44742	4.2
355.58865	3.3
485.28671	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2874
Annotation	Biotin-XX hydrazide
Peak:m/z	Relative Intensity
51.99095	2.5
61.59341	2.1
65.57401	2.4
70.43494	2.6
75.72232	2.5
75.75468	2.1
79.73636	2.3
81.93121	2.3
82.08059	2.3
89.82359	2.6
137.12279	3.4
137.51923	3.1
139.91742	3.0
152.46605	2.6
178.99100	3.4
262.15555	3.1
321.23849	20.2
355.14554	3.3
366.57837	4.3
485.28625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35221	5.4
57.07068	100.0
67.05498	11.8
69.03416	6.5
76.45195	5.1
79.05482	38.4
80.71347	6.4
81.07058	25.8
83.08611	10.4
85.02884	6.4
85.06522	40.6
91.05507	26.9
91.71590	8.1
93.07068	20.1
95.04987	16.7
95.08627	8.8
105.07068	23.0
107.04974	7.9
107.08616	10.6
109.06564	7.5
109.10178	10.4
111.40170	6.1
119.05021	8.3
119.08622	10.3
131.08629	9.7
133.06525	11.1
137.09641	16.5
143.08620	8.8
148.42986	7.6
151.11234	13.3
152.58746	7.5
155.08607	13.7
159.11710	8.0
161.86966	7.6
163.11240	15.5
169.10129	9.8
173.13353	9.7
187.11255	8.3
189.12819	10.7
217.12291	9.0
219.14087	6.8
231.13556	7.0
243.13887	10.8
402.75504	8.9
431.25696	13.6
485.32782	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	485.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39046	21.6
76.06396	22.8
78.66286	20.4
84.14748	21.6
93.50314	24.7
108.38918	28.2
113.96429	68.1
127.96065	25.2
154.99042	93.3
155.97337	35.9
197.00116	80.7
279.62076	31.1
322.31854	32.1
331.70706	30.0
425.27167	100.0
466.29788	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	5.0
55.01880	5.9
55.05510	7.2
57.07069	100.0
67.05489	19.5
69.03416	4.7
69.07066	13.8
79.05489	37.1
81.07054	33.6
83.04967	12.1
83.08623	8.6
83.82537	4.8
85.06539	47.7
90.32976	5.0
91.05472	33.7
92.34492	5.0
93.07023	28.5
95.04956	30.6
95.08605	18.2
97.06507	4.7
103.05485	5.4
105.07030	36.2
107.04959	20.2
107.08613	10.5
109.06519	11.1
109.10143	16.0
116.27539	6.4
117.07006	13.0
119.08566	15.5
121.10163	9.0
129.07018	16.5
131.08578	19.7
133.06519	11.0
133.10141	12.4
135.08087	5.4
135.11809	5.0
137.09627	14.1
142.07791	6.5
143.08461	8.8
145.06480	5.8
145.10193	12.3
151.11247	8.3
155.08588	11.8
157.10112	10.9
159.08078	9.1
165.09114	8.5
169.10158	10.3
171.08093	17.3
171.11681	6.8
175.11201	6.0
175.14732	6.0
179.08572	12.8
179.10626	8.5
181.10211	10.1
185.09879	7.3
189.12744	18.1
191.10704	9.8
193.10210	6.3
197.09537	6.9
201.16478	8.1
215.14445	15.4
217.12279	13.0
225.12827	6.0
227.14334	16.6
231.13919	9.9
243.13834	10.2
245.11665	5.5
251.14307	5.8
253.15820	7.0
269.15329	6.7
281.15350	7.5
287.16382	6.4
297.16919	6.0
299.16620	9.3
313.25577	5.9
431.25803	16.6
449.26828	19.0
479.56097	5.9
485.32425	23.4
487.19412	6.0
502.68155	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	485.326
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
53.13718	17.1
53.97894	15.8
57.07074	53.4
58.73636	18.6
67.05489	32.7
81.07030	43.5
85.06530	37.6
91.05450	49.6
93.07047	76.6
95.08614	28.6
99.52335	18.0
103.16370	21.4
103.69212	18.8
105.07034	30.0
107.08610	55.2
109.10158	44.4
119.08558	100.0
121.06561	19.7
125.48064	23.3
131.08604	47.4
145.10135	38.7
157.58105	19.9
159.11664	27.5
173.13234	75.4
201.16400	27.6
203.83147	21.9
234.21313	23.4
311.18295	21.6
485.32587	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	12.8
55.83596	6.7
55.92171	5.6
56.83425	6.1
57.07051	21.5
57.29618	6.1
58.80313	5.5
67.05487	41.3
69.07061	17.4
70.06580	12.4
71.08591	8.8
79.05485	23.0
81.07040	80.8
83.08585	14.5
88.07619	18.0
91.05459	29.4
93.07029	43.6
95.08592	68.9
105.07026	35.6
107.08579	36.9
109.10144	32.6
117.07006	14.0
119.08582	34.7
121.10147	33.3
129.06932	9.5
131.08560	29.7
133.10098	34.0
135.11722	26.6
143.08545	14.7
145.10143	24.2
147.11690	21.8
149.13234	19.0
155.08502	7.2
157.10144	12.7
159.11705	22.9
161.13269	13.5
163.14835	9.5
171.11655	13.9
173.13252	8.5
195.11644	10.9
200.20151	13.1
214.70215	8.3
225.16319	10.1
226.02847	8.4
228.23265	20.0
241.19580	12.2
261.97275	8.1
283.26282	18.2
348.98682	8.8
468.29727	7.9
484.47180	26.3
485.41263	100.0
485.47659	42.1
503.27713	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	486.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.0
55.82427	1.5
62.55687	1.4
68.02628	10.8
68.05042	2.8
69.31452	1.7
70.06592	11.3
70.80245	1.6
79.05493	3.7
79.75741	1.8
80.04990	2.1
82.06589	2.3
83.04967	32.9
91.05481	5.1
95.04975	3.6
103.05481	4.3
106.04184	6.9
106.06512	8.9
107.04984	2.9
108.08132	4.1
111.04446	23.4
114.05488	2.3
115.49980	1.7
121.06514	4.0
123.04433	1.9
131.04958	6.3
132.02094	8.3
133.02931	2.6
133.06538	3.9
135.04378	4.3
137.06023	2.7
139.03940	1.8
144.08168	1.9
146.03647	5.6
147.04414	40.3
149.02315	3.3
149.05939	14.3
151.04037	2.3
152.07042	2.9
153.05518	7.6
161.06010	3.6
162.03107	4.7
163.03899	5.2
165.05481	7.3
167.07043	2.3
174.09181	5.5
175.03972	7.0
177.05463	43.3
178.06242	17.5
184.05875	1.8
184.07599	4.0
186.09203	2.2
195.06532	2.1
202.08621	3.2
216.10245	4.6
218.11696	2.1
220.94585	1.9
230.08125	4.5
262.10681	28.1
263.06985	2.5
281.08234	4.7
290.10382	4.2
321.07700	2.1
341.10229	4.5
349.29419	1.9
353.10406	9.5
371.11295	8.6
486.17569	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62589	2.3
61.39390	2.3
63.05261	2.4
67.05476	2.0
68.02644	16.7
68.05021	2.7
70.06581	13.0
77.41835	2.8
80.04992	4.9
80.08360	2.2
83.04967	30.7
91.05451	6.2
95.04942	2.9
103.05440	3.4
104.25950	2.2
105.03442	2.8
105.07037	3.1
106.04161	10.0
106.06529	4.7
107.04970	5.6
107.07360	2.9
108.08102	4.5
111.04438	17.7
116.07078	3.6
118.62831	2.7
119.04906	2.9
121.06479	5.1
131.04922	7.6
132.02068	7.0
133.06477	4.7
135.04387	3.8
137.05969	6.2
146.03629	6.5
147.04408	45.8
149.05997	9.6
152.07153	3.5
153.05385	6.1
161.05956	4.4
163.03854	3.4
165.05467	7.4
166.06261	3.3
175.03934	10.6
177.05441	45.3
178.06221	15.2
181.04832	2.9
184.07597	4.4
186.09161	3.2
195.06487	2.7
202.08603	7.1
216.10249	4.9
218.11652	2.8
249.05338	2.8
262.10751	20.8
263.06891	3.5
281.08249	9.2
290.10147	7.5
341.10049	4.7
353.10287	9.0
371.11169	7.6
486.17538	100.0
487.21756	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	486.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81246	36.9
54.01084	27.7
56.82005	28.2
57.41220	31.5
59.77093	31.6
60.64106	32.3
92.03030	42.0
92.59567	34.0
137.05981	100.0
139.50696	33.4
159.04190	47.6
233.86662	35.9
250.77475	39.0
308.11606	69.3
326.81277	41.8
328.18768	99.9
426.14902	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	486.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00037	1.7
54.61375	1.6
57.12116	2.3
65.23245	1.9
69.03419	4.0
73.87113	1.8
78.04682	4.7
79.05481	3.7
81.03401	3.7
85.02889	11.3
95.04961	10.4
104.70235	2.1
107.04942	3.3
108.05729	24.8
109.06519	2.3
119.04861	2.8
121.06531	3.1
123.04381	2.7
135.04459	6.2
136.39929	2.2
137.05980	10.0
139.03845	3.7
151.07495	3.4
181.08522	2.1
199.07487	12.6
216.07838	6.0
231.10178	8.2
256.53735	2.3
259.09601	22.7
271.09622	75.7
289.10657	100.0
290.11108	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	486.212
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63905	1.1
55.65350	1.3
57.07064	8.3
57.08258	1.1
61.59148	1.3
81.81810	1.4
85.06515	3.3
91.05470	3.6
91.71044	1.8
94.76184	1.1
105.07008	1.9
115.05523	1.5
119.08545	1.8
120.37737	1.4
120.38731	1.3
122.10465	1.3
128.06235	1.7
129.07019	3.0
131.08563	6.8
133.06491	4.1
141.06952	6.7
144.05711	5.5
147.07999	4.1
152.12950	1.7
157.06491	2.6
159.08047	22.0
161.05959	3.4
165.96831	1.4
175.07585	6.5
185.05968	65.5
203.07016	60.4
220.09737	1.5
227.14484	1.5
245.11717	100.0
246.12157	2.3
498.93390	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	486.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00275	1.0
52.98386	1.2
55.65332	1.1
57.06830	1.1
57.07071	10.2
62.97392	0.9
75.19735	1.0
82.35290	1.1
85.06536	5.8
91.05444	2.7
92.53389	1.0
105.07033	1.9
108.25138	1.0
117.86395	1.2
128.06219	1.6
129.07042	1.6
131.08569	7.5
133.06523	3.2
136.11882	1.2
141.06987	6.5
144.05719	5.0
147.08026	1.8
157.06508	2.4
159.08044	18.6
161.05959	3.1
175.07504	5.6
185.05960	60.0
189.05495	2.1
203.07014	56.7
211.49982	1.2
215.40405	1.1
245.11703	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78189	16.9
58.99580	19.6
67.05517	55.8
67.13664	13.2
70.06598	63.5
74.08583	16.4
74.39587	19.0
76.02216	90.0
79.05487	16.9
80.31663	20.1
81.07069	59.2
84.04532	47.9
86.09711	21.9
86.77853	16.0
87.16612	15.8
89.40851	14.9
93.07055	28.1
95.08630	75.0
107.08603	20.0
109.10176	62.5
114.39877	19.7
116.01728	34.9
119.08610	30.8
130.05058	27.8
162.02284	50.1
177.87898	19.5
179.04832	100.0
179.14348	26.7
208.19241	21.4
445.11050	32.3
486.27039	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	13.1
57.03428	4.5
58.99571	14.5
67.05495	53.8
69.03423	4.8
69.07053	8.6
70.06581	6.6
76.01820	6.7
76.02220	79.9
76.03245	3.9
76.04005	5.8
79.05480	12.5
79.62545	4.9
81.07044	42.5
83.06100	9.0
83.08606	6.9
83.09434	3.8
84.04502	26.1
85.02892	5.7
87.46384	4.6
91.05455	11.5
93.07037	14.5
95.04960	11.0
95.08607	64.3
95.35007	4.8
100.59818	4.6
102.49368	4.7
102.55970	4.3
105.07012	11.4
107.08649	6.8
108.89336	4.9
109.10155	35.7
115.23090	4.5
115.54216	4.1
116.01671	32.7
119.08597	14.3
121.10183	5.7
130.04991	6.4
142.03241	6.4
144.01170	12.8
151.14821	16.5
161.13249	9.6
162.02173	38.2
179.04857	100.0
179.14290	33.6
180.29013	4.7
181.61592	5.3
227.00752	5.6
233.05922	14.3
308.09131	14.2
339.17374	9.3
352.32419	6.0
411.19412	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	487.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	0.8
65.03916	1.7
67.05499	0.9
69.03418	0.9
73.27980	0.6
79.05470	2.3
81.06998	0.6
82.56370	0.6
87.34455	0.7
91.05468	16.1
94.04173	1.6
95.04947	3.3
97.02831	0.8
99.09378	0.7
103.05444	4.5
105.07027	1.2
107.04952	4.9
109.06502	0.9
114.61198	0.8
119.04929	22.1
121.06480	2.4
122.03654	3.2
130.47557	0.7
131.04932	10.7
133.06471	0.8
135.04401	5.1
136.05197	2.7
137.05968	100.0
138.06340	1.5
139.03891	38.1
149.05962	4.9
150.46284	0.7
151.03943	1.6
151.07530	35.8
153.05452	1.0
159.04387	1.2
160.07521	1.6
163.03891	10.0
163.07509	2.6
165.05467	6.7
177.05450	29.0
177.48480	0.6
181.05118	4.7
181.08582	69.4
189.05434	1.4
195.06560	2.8
205.04973	1.9
207.06508	2.2
219.06293	0.8
271.09671	2.1
272.09903	1.2
319.11768	1.4
327.08594	1.6
345.09671	5.8
363.10834	0.9
443.85977	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12997	2.1
51.71477	1.9
54.55754	2.3
56.33645	2.3
57.72702	2.0
65.19529	2.1
79.05470	6.9
81.07043	2.7
89.62230	3.0
91.05471	16.9
95.04979	9.2
101.28445	2.7
101.85023	2.3
103.05456	3.8
107.04987	11.8
109.06544	2.9
109.28178	3.1
117.32054	2.6
119.04949	23.4
121.06523	6.3
122.03681	3.4
122.87080	2.7
131.04984	6.2
135.04434	7.4
137.05974	100.0
138.06294	4.8
139.03879	31.9
149.05988	13.6
151.03999	3.2
151.07526	37.1
163.03966	7.3
165.05452	16.0
166.21965	2.7
177.05453	72.6
181.05142	3.2
181.08588	80.9
195.06581	7.9
197.13344	2.8
205.05013	3.5
220.20387	2.6
256.64218	2.7
301.10629	6.2
319.11920	5.6
345.09784	3.0
487.22086	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	487.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
66.96006	5.6
70.69919	7.0
85.02893	7.8
87.28896	6.2
91.05492	16.4
91.71674	9.7
103.05486	8.7
119.04959	18.5
135.04456	10.0
137.05954	100.0
139.03850	42.4
151.07602	25.7
163.03949	8.9
177.05519	17.4
181.08548	66.1
269.24435	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	487.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.7
60.39494	1.8
61.65213	1.6
65.03948	2.1
66.45564	1.7
66.50876	1.9
79.05479	4.2
81.07044	2.3
91.05464	20.9
93.07036	4.0
95.04952	8.0
103.05430	5.0
105.06979	2.0
107.04935	15.6
109.06522	4.6
109.29951	1.9
114.56828	2.0
119.04937	26.1
121.06503	6.2
122.03639	4.5
131.04903	9.9
131.69995	2.3
135.04411	6.5
136.05211	3.8
137.05960	100.0
139.03889	45.5
140.12851	2.4
149.05984	16.8
151.03905	3.2
151.07541	40.5
159.04428	3.1
163.03883	7.8
163.07547	3.3
165.05444	15.5
170.72435	2.6
177.05443	95.8
181.04973	4.7
181.08583	96.9
189.05386	2.5
195.06471	11.2
205.04912	2.7
301.10751	3.3
318.99539	2.4
319.11679	4.8
321.50424	2.3
344.42969	2.1
345.09744	7.3
458.96365	2.4
462.53079	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	15.9
67.05513	42.9
69.03419	26.3
69.07105	18.2
75.25378	13.8
76.42848	13.2
79.05509	17.9
81.03432	31.6
81.07064	53.7
85.02913	33.4
91.05502	21.5
93.07051	33.3
94.80986	14.6
95.04980	27.4
95.08608	33.8
97.02946	15.1
99.04511	16.6
105.07012	21.9
107.08635	21.2
110.61403	15.1
121.37227	13.9
127.04015	37.1
168.00894	16.6
179.55748	16.0
370.45972	17.5
487.19437	100.0
487.25549	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	487.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44383	1.3
50.53730	1.7
55.56404	1.1
57.07066	19.0
58.69029	1.1
61.33379	1.2
66.79563	1.2
70.54078	1.3
71.00272	1.3
83.01334	22.4
85.06539	2.2
85.68533	1.5
87.04451	3.5
112.99503	1.8
118.05969	1.5
228.94193	1.7
248.08276	1.8
249.08997	2.1
263.07065	1.9
269.11499	1.6
319.09549	4.7
319.13181	8.4
345.07495	15.5
347.09244	3.6
360.10059	2.3
387.12262	3.0
388.12885	8.7
403.15417	17.5
422.23627	1.6
469.50275	1.7
487.21240	50.5
487.28271	8.8
487.35895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2113
Annotation	Artelastochromene
Peak:m/z	Relative Intensity
57.07068	1.5
67.91441	1.1
74.19964	1.1
85.75588	1.2
91.71675	1.3
207.34613	1.2
257.70337	1.3
268.52924	1.3
271.12808	1.8
285.10764	1.6
300.11075	1.5
307.22778	1.2
314.09863	1.3
327.10205	4.1
328.10822	1.9
329.11469	1.4
342.08966	1.9
343.09671	1.7
355.09756	6.6
356.10391	5.1
411.12360	1.5
421.37061	1.5
426.14514	12.0
427.14893	1.9
444.15622	10.2
469.20026	18.3
487.21130	100.0
487.27853	5.5
487.35516	12.2
488.21268	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	487.2149
Annotation	3-Deamino-3-hydroxykanamycin X
Peak:m/z	Relative Intensity
50.15031	2.0
58.14668	2.0
60.02514	1.7
85.27544	2.2
104.01537	2.1
151.52704	2.6
160.26221	2.1
170.58516	2.3
172.82805	2.5
200.66699	2.4
278.37045	2.5
358.50885	2.6
487.21481	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2149
Annotation	3-Deamino-3-hydroxykanamycin X
Peak:m/z	Relative Intensity
51.72136	0.9
53.41661	1.2
58.89612	0.9
68.88674	1.0
69.09624	1.1
74.52201	1.3
104.90870	1.1
131.67354	1.2
138.34860	1.3
142.86438	1.2
211.18185	1.5
237.64972	1.2
256.09839	1.5
289.53314	1.4
290.09018	1.3
335.09482	3.4
355.17325	3.4
425.63977	1.4
487.21448	100.0
488.21909	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	487.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
63.53150	1.9
68.34669	1.4
68.47266	1.5
90.10624	1.4
97.02877	1.5
110.75723	1.6
153.92224	1.9
177.69672	1.7
246.04356	2.0
333.46805	1.9
359.39130	1.6
487.21442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24572	21.0
54.03796	20.1
55.05502	24.7
56.15721	19.6
57.07072	37.6
63.99628	21.0
69.07095	26.5
70.49990	25.1
74.17059	27.2
93.07054	32.7
104.00830	23.9
106.73729	25.2
107.52229	25.8
147.11746	33.9
189.55038	29.5
219.17357	44.3
225.64607	29.2
272.25772	26.4
290.78885	36.1
389.24945	33.6
395.25790	48.0
487.24454	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
62.48902	1.2
73.01198	1.5
80.06096	1.5
85.81030	1.3
86.84789	1.6
87.04467	1.9
90.54250	1.6
91.71680	1.7
103.50185	1.7
108.66472	1.5
148.84576	1.9
174.68750	1.7
193.15593	1.8
204.40103	1.6
223.80183	1.6
269.11441	100.0
310.14096	18.3
487.28149	8.3
487.35941	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98143	2.8
62.40268	3.1
71.84665	3.6
73.72861	3.0
80.15359	3.8
80.47004	3.8
84.82664	3.4
91.71023	8.3
96.37830	3.4
108.92001	3.4
119.08500	4.0
143.86954	4.3
205.13216	3.8
241.15736	5.6
269.11459	71.5
292.21280	5.0
310.14105	17.0
487.28061	33.9
487.35931	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	487.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15982	2.4
60.82166	1.8
66.79713	2.6
68.14136	1.9
72.51587	2.1
84.13131	2.3
85.45423	2.3
85.70719	2.2
91.71055	4.2
101.58650	2.3
108.07735	2.3
157.88150	2.6
159.83199	2.4
169.17998	2.6
180.57274	2.4
257.83514	3.1
376.43573	2.6
384.73145	2.7
405.24030	5.5
440.41611	2.9
487.21609	6.4
487.28137	100.0
487.35468	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	487.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	60.0
57.07068	12.9
59.51586	8.0
67.05209	9.4
67.05497	87.9
69.07053	95.3
70.06590	69.3
71.04977	9.5
75.10710	8.4
75.49783	8.7
79.05479	29.5
81.07054	100.0
83.04967	30.1
83.08616	65.4
91.05473	26.6
93.03400	13.7
93.07037	47.0
95.04969	58.1
95.05478	9.4
95.08607	84.3
97.06519	15.9
97.10152	49.4
104.77695	9.8
105.07038	19.3
107.08630	17.4
109.10153	35.9
111.04454	17.7
111.11745	27.7
112.47221	10.5
119.08575	21.2
121.02866	52.8
121.10152	40.2
122.31733	11.7
123.11730	10.7
133.10147	24.5
135.11687	28.7
139.03900	32.5
139.11192	13.6
139.80754	9.4
147.04376	11.9
147.11688	14.3
149.13170	12.5
178.05104	9.3
179.14391	17.2
194.29489	10.1
217.19565	30.6
234.68303	12.0
235.20518	35.1
253.21693	27.3
281.63412	10.7
317.01337	10.9
377.99539	12.8
390.48993	12.6
395.12949	11.1
404.92969	11.7
409.25757	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12327	4.7
55.05499	13.5
56.11913	4.3
57.03421	11.1
57.07063	5.6
61.02926	4.7
67.05495	100.0
67.16567	3.8
69.03421	6.6
69.07057	15.7
71.04977	11.4
71.08581	5.2
79.05486	72.1
81.03409	5.2
81.07047	94.8
83.08626	11.0
85.02898	10.8
85.06541	10.5
91.05471	43.7
93.07029	89.0
95.04947	10.0
95.08602	72.4
97.02881	9.7
97.06540	10.5
99.08064	6.4
102.05534	4.2
105.07027	28.4
107.08580	50.0
109.10159	35.3
117.06986	11.5
119.08567	25.1
121.10143	46.5
123.11704	20.2
129.07033	6.2
131.08560	32.1
133.10127	28.8
135.08122	6.7
135.11705	56.1
137.13235	7.6
145.10074	24.6
147.11679	17.4
149.13254	24.4
159.11676	28.4
163.11295	5.6
173.13249	16.0
175.14777	6.0
184.43318	4.8
185.09120	4.8
205.19548	12.0
215.17931	53.2
233.18988	45.1
307.22678	17.2
325.23508	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	487.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43893	6.4
55.05494	22.2
57.03429	8.5
57.07066	11.1
60.86797	6.5
65.03925	6.2
67.05499	93.2
69.07060	18.3
69.55334	5.5
69.73051	7.1
73.97548	6.5
79.05490	76.4
79.92986	7.0
81.03407	9.0
81.07051	98.7
83.08588	9.4
84.91193	6.8
85.02890	11.3
85.06530	7.9
88.33170	6.8
91.05462	55.5
93.07040	100.0
95.04950	18.1
95.08608	51.8
95.55615	7.3
97.02888	7.8
99.08097	16.1
105.07020	35.9
107.08574	47.5
109.10157	31.3
117.07016	21.0
119.08556	20.4
121.10127	45.0
122.36990	6.9
123.11688	14.3
129.06938	11.2
131.08572	31.9
133.10112	45.0
135.11702	66.1
145.10136	28.2
147.11690	21.2
149.13251	27.1
159.11714	26.2
163.11263	8.3
173.13295	21.9
205.19586	13.3
215.17870	60.9
233.18927	44.8
514.57086	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	487.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41550	4.0
55.05489	15.3
56.20965	3.4
57.03429	6.2
57.07065	4.8
67.05173	7.2
67.05500	91.4
69.03410	6.8
69.07055	10.6
71.04982	6.0
79.05074	7.7
79.05489	80.1
81.07048	100.0
83.08615	7.4
85.06554	4.5
91.05478	29.0
93.07038	86.3
95.04971	6.7
95.08592	56.3
97.10119	4.3
99.08064	6.8
105.07021	23.8
107.08595	38.8
109.06523	4.6
109.10149	32.3
111.08012	4.7
111.24995	3.9
111.84769	3.8
117.07024	12.8
119.08566	20.7
120.68364	4.1
121.10147	47.3
122.22855	4.3
123.11715	18.7
127.03999	5.2
131.08572	26.9
133.10150	22.2
135.08051	4.7
135.11705	45.8
137.13196	6.2
145.10146	24.8
145.11118	4.6
147.11697	16.2
149.13222	26.6
151.11212	7.0
159.11707	17.1
163.11276	5.7
173.13249	11.3
187.14850	4.6
195.08395	5.0
205.19530	7.5
215.17920	58.8
221.58615	4.6
225.54997	5.0
233.19014	44.8
307.22607	13.8
358.68307	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	487.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	19.0
57.03420	6.8
57.07062	8.7
61.02889	5.5
67.05496	93.1
69.03435	4.5
69.07053	12.4
79.05487	80.6
81.03426	4.7
81.07049	94.9
83.04973	3.8
83.08607	9.6
85.02917	3.8
85.06560	5.1
87.78106	3.4
87.82342	3.3
88.00252	3.2
91.05479	45.3
93.07043	100.0
95.04951	11.4
95.08597	58.2
97.06507	4.4
99.08090	12.5
103.18715	3.4
105.07027	35.3
107.08595	55.8
109.06487	3.5
109.10151	29.6
111.08070	5.9
113.09695	4.4
117.07026	22.4
119.08583	26.4
121.06504	4.9
121.10146	59.9
123.11694	24.4
131.08595	30.9
133.10126	30.9
135.11691	62.4
137.09599	5.7
137.13239	4.7
145.10109	32.7
147.11679	14.0
149.13242	33.3
149.34328	3.4
151.11133	3.8
159.11713	28.5
171.11780	6.5
173.13260	20.9
187.14850	6.4
205.19536	8.6
215.17946	58.9
233.18988	56.0
307.22711	9.9
325.23981	6.0
448.99991	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	487.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67559	4.1
56.28567	5.1
58.90349	5.6
64.37041	4.4
77.63020	4.8
93.53063	4.7
135.25063	5.3
483.24759	6.3
487.34094	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3418
Annotation	Acerinol
Peak:m/z	Relative Intensity
52.87845	9.2
55.05521	14.1
67.05511	49.0
69.07077	15.9
70.59438	9.4
79.05508	20.5
81.07066	51.0
89.63733	11.9
91.05492	25.6
92.48687	11.3
93.07050	23.0
95.08612	22.9
105.07043	16.9
107.08618	19.6
111.22974	13.3
117.07013	12.6
119.08647	12.5
121.10155	15.4
131.08577	14.4
145.10089	14.3
159.53955	12.1
169.10268	11.2
181.10313	12.3
215.63551	12.4
270.40414	14.3
487.34933	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3604
Annotation	Lys Ile Val Lys
Peak:m/z	Relative Intensity
53.10598	1.2
61.45607	1.6
67.47869	1.3
75.73676	1.3
76.95393	1.4
82.95390	1.5
129.97478	1.7
172.81723	1.8
179.60532	1.7
273.64261	1.8
412.30878	2.1
487.36011	100.0
488.37012	3.0
491.93854	2.0
510.28970	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.2
56.05024	1.6
58.34807	0.8
59.48870	0.8
63.92844	0.9
68.04996	1.1
69.07060	1.7
70.06583	11.0
72.08141	4.4
74.00647	5.7
76.02213	1.5
83.08595	1.4
84.04507	8.0
84.08140	4.9
85.02884	2.5
85.04025	1.4
85.76983	0.9
86.09697	10.7
91.71044	1.0
92.35726	1.0
97.02851	0.9
99.06635	1.0
102.05550	2.5
103.05479	5.0
120.08086	1.3
122.03592	2.2
129.09190	1.7
129.10231	2.0
130.04964	5.5
131.04938	13.1
135.02634	1.2
137.05971	100.0
147.04359	1.7
147.07651	1.4
147.10182	1.1
148.48843	1.0
161.05986	1.0
162.06670	1.1
163.02097	2.3
163.07492	15.0
167.69759	0.9
177.03345	3.7
178.94928	1.0
180.02359	1.7
180.72519	1.0
181.08586	7.4
189.03638	1.9
193.03191	3.4
195.04758	3.1
200.03688	3.0
201.08691	1.6
203.78166	0.9
221.06316	4.6
238.08969	4.0
239.07332	2.5
244.12962	2.1
256.10068	2.8
267.36957	1.3
291.24255	1.1
341.11603	4.0
342.10025	2.7
359.12833	5.0
379.28625	1.2
413.13757	1.7
488.17374	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66284	0.9
53.47016	0.9
70.06580	11.7
70.76950	1.0
72.08142	5.8
74.00661	5.1
76.02185	1.5
81.40561	1.1
83.91898	1.1
84.04505	8.4
84.08149	2.2
86.09707	11.5
88.04035	1.0
91.05501	1.9
97.74304	1.1
102.05529	1.2
103.05471	4.4
105.49326	1.2
116.01670	1.4
119.04932	1.2
122.03663	2.1
129.06610	1.2
130.05032	4.5
131.04912	11.8
132.69420	1.2
135.02635	1.5
137.05977	100.0
144.06580	1.4
162.06757	1.8
163.02113	2.2
163.07545	11.9
177.03270	3.2
179.04951	1.2
180.02437	1.7
181.08586	7.7
193.03267	2.1
195.04788	2.9
217.11853	1.7
221.06381	4.5
238.08974	2.6
239.07420	1.6
256.10129	4.2
341.11725	3.8
342.10214	2.4
359.12729	6.1
374.64923	1.4
413.13672	3.1
488.16611	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30232	9.2
52.23122	8.5
55.99476	10.8
57.07076	54.3
59.99080	9.6
65.76283	9.3
91.71030	21.8
95.04928	10.7
96.67684	11.6
111.08095	12.3
115.13320	12.2
130.66179	10.0
133.06592	13.2
136.74570	11.9
157.45930	13.0
171.04428	14.3
177.05345	12.7
189.05376	25.1
199.11171	20.4
209.09621	13.7
217.05006	55.2
227.10739	26.7
245.11642	27.8
255.10220	30.2
273.11185	41.5
283.09695	24.9
291.12225	30.3
301.10611	20.0
316.94742	13.5
319.11618	23.3
329.10184	19.0
333.13199	19.8
347.11456	23.2
365.12183	21.7
379.13742	33.1
393.11752	100.0
407.13339	88.9
434.14413	55.7
439.12320	15.8
453.13757	50.6
465.24927	14.8
487.21426	32.8
488.21689	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11224	3.3
59.04993	100.0
89.06014	5.4
91.05782	5.5
91.71628	7.3
103.07570	66.8
114.07372	8.9
120.45915	3.3
147.10162	16.5
181.07072	6.8
181.23293	3.7
213.18095	4.0
224.02721	3.6
230.87358	5.1
239.09537	9.0
251.11282	5.6
334.43082	4.4
487.36078	5.4
488.36096	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	488.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35345	5.9
66.93362	4.9
77.87281	5.3
84.60252	6.2
99.55370	5.6
107.07358	13.0
120.08130	13.0
132.08136	7.2
146.09605	8.6
160.07605	6.8
183.64995	5.8
197.83142	7.1
201.22850	7.1
210.46678	7.3
226.60432	6.8
310.21716	8.6
391.33557	7.0
396.28922	44.5
398.30447	10.3
414.30261	35.1
440.31839	9.4
488.33670	100.0
488.86923	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	488.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17501	5.2
57.07076	6.3
67.05491	35.9
69.07050	5.2
74.25635	4.5
79.05486	7.5
81.07042	21.8
83.04991	6.7
87.82301	6.4
91.05461	13.2
91.24533	5.1
93.07021	22.7
95.08607	24.4
97.06518	6.8
105.07040	17.6
107.08588	12.1
109.06497	9.8
109.10149	100.0
111.76474	6.3
115.05368	5.7
119.08588	19.0
131.08539	13.6
133.10158	10.4
135.11700	8.8
145.10129	10.7
146.12807	5.6
147.11723	12.9
149.69702	5.3
152.16879	6.6
159.11678	14.6
173.13208	15.2
189.12735	11.3
201.16388	21.7
207.13753	12.2
219.17464	31.1
230.96368	6.7
235.16902	10.6
395.29465	12.3
435.32529	34.8
453.33447	8.3
472.12488	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	489.2271
Annotation	Vardenafil
Peak:m/z	Relative Intensity
57.07072	87.5
69.64637	6.6
85.06519	23.2
88.33097	7.3
91.71129	13.3
145.06432	11.4
191.71004	8.5
226.36714	8.5
306.96188	9.0
321.11371	24.2
405.16846	45.8
489.22653	100.0
489.29675	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75153	1.6
55.05513	7.4
56.05045	2.8
58.61594	1.6
60.04526	3.7
60.55473	1.4
69.07072	3.8
70.06587	8.5
70.51341	1.9
72.08147	100.0
73.93223	1.7
75.71271	1.7
78.59389	1.6
82.63223	1.6
84.04494	25.6
84.04938	2.2
84.08157	7.0
86.09700	53.8
101.07166	1.7
102.05540	14.0
107.37629	1.8
120.08208	2.3
129.06593	10.3
129.10277	2.3
130.05051	4.2
144.06531	2.9
147.07654	2.1
148.06058	18.9
164.67270	2.1
167.08344	1.7
170.11810	4.6
180.99661	1.9
197.12846	9.3
201.12428	2.7
215.13934	24.5
243.13332	14.1
247.12901	28.1
261.69946	1.9
296.19684	2.9
305.90872	1.8
316.95483	2.1
324.19247	2.9
342.20419	3.1
371.93039	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	489.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89315	1.1
55.05497	3.2
55.68838	1.1
57.03427	2.7
57.83398	1.2
57.85116	1.1
65.03921	1.6
65.83122	1.1
66.60800	1.2
67.05498	17.5
68.72053	1.1
69.07057	4.3
70.44746	1.4
71.01777	1.2
71.47879	1.4
79.05460	7.0
79.98856	1.4
81.01337	1.2
81.07051	16.6
83.08603	2.8
91.05476	11.6
93.07039	6.5
95.08604	12.5
107.08579	5.0
109.10149	6.5
111.08071	1.5
119.04953	18.7
119.08577	3.0
121.10136	6.6
123.11679	2.0
123.14000	1.3
130.90099	1.2
133.10147	3.8
135.11688	2.9
145.05849	1.5
147.04407	100.0
148.18861	1.3
149.13252	1.7
163.01131	1.5
165.05450	15.7
193.40651	1.4
212.50044	1.6
215.17731	2.1
233.19174	2.1
251.20116	2.6
254.78920	1.6
264.41055	1.6
288.98901	1.5
316.41257	1.5
324.32507	1.7
325.23706	14.7
325.32983	2.3
489.37753	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	489.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31361	1.2
55.05499	4.7
57.03421	2.7
57.07046	1.0
65.03938	1.3
67.05164	2.1
67.05495	22.1
69.07048	5.1
70.87015	1.0
71.04998	1.1
79.05479	7.6
80.28185	1.2
81.07045	21.0
83.08624	6.2
88.18883	1.2
90.75818	1.2
91.05472	16.5
93.07033	10.7
95.04963	1.7
95.08597	20.0
97.06528	2.2
97.10168	2.2
105.07045	3.0
107.08598	4.3
109.10142	7.5
111.08084	2.0
119.04938	29.4
119.08608	2.5
121.10136	8.1
123.11722	2.2
131.08589	1.8
133.10147	5.1
135.11684	5.2
136.65050	1.1
139.05576	1.4
142.05110	1.7
147.04404	100.0
147.11734	1.5
148.04865	1.5
149.13274	2.5
151.11235	1.5
159.11743	1.2
165.05469	11.3
173.13231	1.8
173.97176	1.3
215.17966	3.0
216.50929	1.3
233.19044	3.2
251.20108	4.4
268.83813	1.6
325.23740	17.2
325.32794	1.5
489.28207	2.8
489.37625	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	489.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.8
57.03422	3.7
60.50847	1.3
65.03925	1.3
67.05495	32.6
69.07055	7.4
70.88717	1.5
79.05492	9.6
81.07053	29.4
83.08627	6.4
91.05471	16.0
93.07049	14.1
95.04977	2.9
95.08601	28.1
97.06520	4.7
97.10180	1.6
105.07059	3.1
107.08574	9.0
109.10156	10.1
111.08075	2.6
119.04934	24.2
119.08591	4.6
121.10136	11.8
123.11716	5.0
131.08591	1.9
133.10130	8.2
135.11699	9.6
137.13219	1.9
145.10135	1.7
147.04405	100.0
147.11641	2.2
148.04781	2.3
149.13293	3.8
152.72044	1.7
165.05449	12.4
215.18073	3.2
217.19443	2.9
233.19014	5.2
235.20610	4.4
251.20003	5.0
265.56433	1.6
274.78519	1.7
296.04010	1.9
324.32776	4.1
325.23685	23.2
489.28311	2.5
489.37457	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	489.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	4.6
58.19062	2.0
83.37457	1.9
118.16410	2.7
162.47209	2.4
167.63347	2.3
191.01714	2.2
195.20688	2.2
240.11526	2.4
267.93347	2.2
271.13113	4.9
489.29791	100.0
490.30069	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	489.2991
Annotation	Ile Thr Gln Lys
Peak:m/z	Relative Intensity
57.07071	2.9
58.17104	2.3
60.45361	3.1
80.48067	2.3
115.75563	2.8
116.96419	2.6
165.12701	3.7
201.97554	3.3
202.94287	2.8
488.36322	7.3
489.29803	100.0
489.36624	9.4
490.30460	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	489.2974
Annotation	Trp Lys Arg
Peak:m/z	Relative Intensity
52.42165	1.7
54.33973	1.9
58.80794	1.8
63.04073	1.9
64.39288	1.9
75.73804	2.1
82.46849	2.0
91.71639	2.3
106.99948	1.7
112.16875	2.1
112.90987	1.9
114.61830	1.9
135.08054	2.2
158.93153	2.2
167.74474	2.4
232.39877	2.6
235.61205	2.5
244.93771	2.5
266.08798	2.2
271.62292	2.3
305.03189	2.4
489.29703	100.0
502.69757	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	489.2976
Annotation	Trp Lys Arg
Peak:m/z	Relative Intensity
51.31832	0.8
55.68490	0.8
66.13299	0.8
87.62109	0.8
127.10756	1.1
147.92548	1.1
209.36874	1.2
220.45486	1.1
447.90829	1.1
489.29718	100.0
490.29904	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	489.2989
Annotation	Ile Thr Gln Lys
Peak:m/z	Relative Intensity
50.72447	0.7
53.89434	0.7
57.01125	0.8
57.07054	1.1
79.05476	0.8
107.04974	1.0
117.98486	0.9
126.95443	1.1
159.02216	1.0
161.06017	1.8
175.07892	1.1
187.07591	1.1
197.06529	1.0
231.28275	1.0
250.95451	1.1
289.07797	1.1
333.00650	1.0
348.94849	1.0
488.36234	7.7
489.29770	100.0
489.36475	8.0
490.30234	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	489.2972
Annotation	Trp Lys Arg
Peak:m/z	Relative Intensity
57.07064	3.5
57.43233	2.6
64.55599	2.0
65.75687	2.3
80.85428	2.2
85.30652	2.2
86.30135	2.3
101.14623	2.3
101.98381	2.3
125.05122	2.7
135.08206	2.4
140.92734	2.3
301.32703	3.1
336.00562	3.0
472.40814	3.1
489.29816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	3.0
55.05494	16.7
57.03422	10.3
57.07064	13.7
59.33164	3.9
65.03940	3.9
67.05494	82.0
69.07047	22.9
71.08627	5.4
71.84452	3.6
79.05493	16.9
81.06596	7.0
81.07049	100.0
83.08608	14.3
85.06516	4.9
85.10146	4.1
85.90536	3.7
89.61037	3.3
91.05477	25.8
91.71328	7.4
93.07044	24.4
95.08033	7.3
95.08600	78.8
97.02916	5.0
97.06537	9.8
97.10149	5.9
99.08117	9.1
105.07030	12.3
107.08607	13.6
109.10143	23.3
111.08093	3.9
111.11774	4.2
119.08582	18.4
121.10142	19.4
123.03794	4.1
123.11710	12.7
127.11147	6.9
133.10132	21.4
135.11652	20.9
137.13272	14.0
147.04439	7.4
147.11687	12.2
151.14838	10.3
161.13246	9.5
164.63177	3.8
175.14902	5.0
217.19518	51.9
225.10587	4.6
234.83801	4.3
235.20522	41.3
309.24197	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07480	1.4
52.79023	1.4
57.07067	2.0
70.08573	1.5
99.88134	1.7
108.86076	1.7
112.47659	1.7
122.45087	2.0
125.21700	1.6
135.80450	1.7
137.92531	2.1
166.47791	2.0
179.39334	1.7
179.43210	1.7
195.51486	2.1
199.58757	2.6
218.45586	1.8
233.08458	1.9
247.51395	2.0
250.97372	1.8
279.33780	1.9
310.82144	2.5
320.94144	2.1
489.33984	100.0
490.34460	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	489.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	23.4
57.03409	8.6
57.07072	12.3
66.94402	9.1
67.05496	68.7
69.07049	20.2
76.16805	9.0
79.05492	33.7
81.07054	57.6
90.80499	9.5
91.05478	27.2
91.83881	9.0
93.07044	44.1
95.04991	13.6
95.08608	42.0
97.06546	10.4
100.35758	9.1
105.07026	28.6
107.08597	26.6
109.10141	22.9
117.07025	21.0
119.08589	28.8
120.65373	8.8
121.10146	30.2
129.80177	9.5
131.08588	22.2
133.10135	25.0
135.77126	11.0
145.10199	19.2
147.11534	14.4
149.13150	14.1
171.11696	13.8
173.13341	17.7
185.13333	14.0
211.81500	11.1
226.93474	10.1
283.90274	11.8
370.85913	12.8
373.04779	11.6
489.35760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3576
Annotation	Cimigenol
Peak:m/z	Relative Intensity
55.05511	15.6
57.03432	6.3
57.66958	4.0
65.86809	4.0
67.05499	53.4
69.07076	22.2
72.35168	5.0
73.60268	4.1
79.05512	23.4
81.07049	57.4
83.08628	11.0
91.05466	30.5
93.07040	40.4
95.08588	41.1
97.10141	5.5
105.07018	29.8
107.08610	37.3
109.10192	17.4
117.07070	19.3
119.08585	35.5
121.10134	24.7
123.11692	8.2
126.37602	5.5
129.07037	5.0
129.65515	4.8
131.08612	24.0
133.10143	31.5
135.11673	11.8
143.08598	10.0
145.10117	25.7
147.11757	16.7
149.08755	5.3
157.10228	5.7
159.11732	23.0
161.13293	8.2
171.11803	10.6
173.13354	9.2
173.95235	5.1
178.44395	5.7
185.13329	8.5
187.55209	5.0
197.13361	7.8
199.14899	5.9
201.16461	6.4
215.95084	5.1
267.80542	5.9
397.30737	24.2
471.34753	16.0
489.35843	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03270	1.4
53.84119	1.2
54.11084	1.2
56.05034	3.9
71.71027	1.7
84.04496	98.5
85.02885	4.7
102.05540	33.0
121.06511	6.9
130.04997	43.9
131.03346	2.1
136.07549	1.7
148.06041	100.0
148.21794	1.6
179.11095	1.6
181.13818	1.5
341.01761	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	490.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71655	1.7
57.03426	3.3
58.99559	5.0
61.02901	12.6
61.31329	2.2
67.05486	7.4
69.03413	7.2
70.06581	76.3
72.08147	2.4
73.02886	7.1
76.02218	23.7
79.05477	9.5
81.03387	3.6
81.07030	11.0
84.04485	6.0
85.02897	15.0
86.09696	8.0
91.03946	8.2
91.05479	19.1
93.07038	9.5
95.04984	5.5
95.08598	5.5
97.02874	8.1
105.07016	23.1
105.20915	1.9
107.04948	5.5
107.08582	2.9
108.08063	3.4
116.01670	3.5
117.06972	5.6
119.08582	9.3
120.08155	2.1
120.99890	1.9
121.06497	4.5
123.76756	2.1
131.08559	4.9
139.43059	2.5
144.01157	3.6
147.08113	3.1
162.02161	13.2
164.55908	2.3
173.13330	3.0
179.04831	18.9
194.48508	2.2
201.12770	2.4
218.15532	2.3
230.11440	4.8
233.05902	3.1
236.16466	8.8
254.17644	3.7
308.09128	4.3
310.19852	10.3
328.21179	51.9
361.14096	3.7
490.26407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99645	0.7
65.03487	0.7
67.05502	11.9
69.07053	3.0
70.06584	100.0
71.04978	2.1
73.83285	1.0
75.95652	0.7
77.05317	0.7
79.05489	1.5
81.07047	3.4
84.08128	2.4
88.48211	0.9
91.05473	3.8
93.07044	2.6
94.06567	5.6
95.04963	16.6
95.08597	2.4
105.07039	4.1
107.08579	2.3
109.06586	0.9
109.10162	1.2
112.07600	28.4
113.06007	5.9
117.07002	1.8
119.08579	3.0
129.07008	1.9
130.08636	40.1
131.08574	3.3
133.10097	1.0
137.05910	1.3
143.08568	1.9
145.10126	1.7
147.11600	0.9
149.13234	1.0
155.08578	1.0
157.10132	1.0
159.11708	2.5
161.13258	1.5
171.11650	1.2
174.07613	69.8
183.11847	1.1
184.83066	0.8
185.09618	0.9
197.13333	1.0
198.60211	1.0
201.12865	1.0
208.00363	1.0
253.19540	2.0
275.29639	1.0
277.03510	1.0
281.18915	2.3
299.20117	4.2
472.26721	1.2
490.20825	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	490.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23960	1.7
64.20836	1.9
65.27820	2.2
67.05504	12.7
69.07077	2.6
70.06584	100.0
71.05015	2.1
74.42469	1.8
81.07057	3.1
91.05508	3.5
94.06565	3.2
95.04957	17.2
105.07054	4.7
107.08608	2.4
112.07590	29.8
113.06066	7.7
119.08562	3.1
130.08633	44.5
145.10126	2.9
147.04466	4.1
161.05972	2.5
164.79369	2.3
174.07600	75.0
286.08398	2.4
299.20114	3.1
302.02863	2.3
444.75699	2.7
484.85995	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	490.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11733	1.1
67.05496	8.7
69.07073	2.7
69.12070	1.6
70.06580	100.0
71.04986	4.2
79.05515	1.7
81.07053	2.1
84.08144	2.1
85.02428	1.4
85.02911	5.7
87.02454	1.6
91.05476	2.8
93.07042	3.0
94.06586	4.8
95.04951	16.1
105.06985	2.0
107.08627	2.1
109.65247	1.4
112.07607	23.4
113.06009	6.1
119.08630	1.6
130.08627	43.1
130.09532	2.7
133.10138	1.8
137.05983	2.7
145.10040	2.2
159.11763	2.2
174.07593	70.3
187.79599	1.7
196.44002	1.7
221.12997	1.9
299.20065	1.9
356.93515	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	490.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91828	1.3
54.00715	1.3
57.56272	1.5
60.41819	1.4
67.05505	9.4
69.07046	3.7
70.06586	100.0
71.04987	2.7
71.12321	1.6
71.91106	1.5
81.07031	1.8
84.08134	2.8
89.22104	1.7
89.47759	1.8
91.05499	2.2
93.07058	1.6
94.06564	4.6
95.04961	14.9
95.08652	1.5
105.07035	1.7
112.07606	22.8
113.05994	4.0
130.08629	37.1
130.09546	2.1
164.18790	1.7
174.07614	61.1
178.31340	1.7
181.74516	2.0
255.84615	2.2
280.74850	1.8
299.20093	3.6
376.78964	2.1
450.78717	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	490.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42111	1.9
51.43602	2.0
51.86230	2.1
56.05024	2.0
57.35442	1.8
57.45880	1.7
58.06566	3.3
59.07398	1.7
60.08154	18.1
64.92262	1.8
67.05497	6.5
71.07376	5.6
79.05480	2.6
81.07053	4.4
81.68071	1.9
86.09698	50.6
88.04530	2.1
91.05450	2.8
93.07059	3.8
95.08587	4.5
96.25555	2.0
98.32133	2.2
104.10738	100.0
113.67563	2.2
118.60324	2.3
119.04932	3.3
121.10171	2.7
124.99989	21.9
147.04390	13.9
148.04749	4.3
173.40311	2.4
184.07347	59.6
385.85083	2.5
490.29468	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51433	15.8
51.70386	17.0
54.79543	18.1
71.55431	18.4
85.02955	24.9
88.24755	21.6
137.05981	31.1
163.03908	35.0
166.72510	23.7
197.05914	33.7
208.98235	24.2
235.99629	27.9
237.05656	26.6
253.05017	50.5
281.04465	88.1
283.06448	22.6
299.05466	68.7
299.09021	36.3
337.08362	28.6
409.07126	29.5
427.08279	29.5
445.09042	100.0
455.07529	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.3
63.30466	1.0
68.99807	1.4
69.03421	16.8
69.03772	1.4
70.06583	12.1
71.05008	2.1
76.85782	1.2
81.03416	21.5
85.02902	8.7
94.99754	1.2
97.02884	8.9
99.04497	2.2
105.06976	1.3
109.02861	12.0
112.07638	3.1
117.03840	1.4
117.88418	1.4
121.02900	5.0
127.03914	10.2
130.08621	2.9
145.04927	1.7
147.04427	1.8
153.01918	5.3
165.01901	2.5
174.07701	5.5
187.06030	8.3
202.27716	1.5
213.05521	2.3
244.00912	1.3
258.05234	1.8
287.05472	100.0
288.06064	1.6
290.30490	1.4
300.92603	1.6
327.09326	1.3
375.88943	1.5
412.29099	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1182
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03938	3.0
57.09910	0.8
61.02920	0.9
67.05511	1.0
69.03420	15.3
70.06592	1.5
71.04976	1.5
73.02912	1.5
76.55698	0.9
81.03407	21.1
81.03862	1.2
85.02897	7.9
85.76438	0.9
94.37300	0.9
95.04982	1.0
97.02875	5.0
97.40302	0.9
99.04471	2.5
109.02873	13.5
121.02920	3.3
127.03906	7.2
137.02373	1.2
137.37134	1.0
138.03043	1.0
145.05014	1.4
153.01886	4.2
165.01860	2.0
183.02893	1.7
187.04669	1.3
187.06050	6.4
226.13531	1.0
287.05469	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1523
Annotation	Dolastatin E
Peak:m/z	Relative Intensity
55.30856	5.8
68.77480	6.4
75.88859	6.4
91.05427	6.9
105.51152	7.9
119.30295	8.0
197.29282	8.1
201.13716	7.1
216.82716	7.2
264.29474	8.7
329.10046	15.3
451.06335	8.3
491.15240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1885
Annotation	Compound E
Peak:m/z	Relative Intensity
54.21779	4.6
55.37271	6.0
66.33319	5.8
70.06573	21.5
74.07558	5.2
78.44749	5.2
102.60419	5.6
123.68015	6.6
130.23935	5.3
155.48557	5.5
174.07605	7.4
211.09163	5.9
218.43651	6.6
231.74181	6.5
256.19312	7.3
406.35379	6.6
491.18829	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1892
Annotation	Toonaciliatin J
Peak:m/z	Relative Intensity
53.98949	3.8
66.05463	4.4
69.17568	3.6
70.06577	18.6
86.09701	13.1
256.10461	5.0
400.99146	5.5
410.13849	5.3
491.18604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2062
Annotation	8-Prenyllepidissipyrone
Peak:m/z	Relative Intensity
51.07925	2.4
61.01551	2.6
67.74443	2.5
72.05547	3.3
86.57003	2.8
89.13534	3.2
91.05473	50.8
92.21742	3.3
94.04172	4.3
95.04944	8.9
119.04919	28.1
119.33064	3.1
122.03660	9.0
136.05220	6.0
137.05968	100.0
151.07530	81.9
245.93253	3.2
262.21136	3.3
291.10379	5.0
297.11127	4.3
305.11679	5.6
349.14331	7.8
454.24954	3.6
473.19702	26.7
491.20703	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.5
55.39577	2.8
57.07066	31.0
59.13834	3.1
63.29681	3.2
69.99474	3.9
83.05006	3.6
83.97782	3.0
85.06561	12.3
85.47829	3.4
91.05482	4.8
91.70988	7.4
93.27621	3.1
105.07056	4.8
127.75512	3.7
129.07008	4.2
141.07060	6.0
148.65181	3.8
159.08116	16.0
161.05989	36.0
171.08110	4.3
175.07607	7.2
184.08830	7.0
185.06006	24.4
189.05457	100.0
189.07060	5.3
199.11252	16.8
201.12868	5.9
203.07042	19.8
227.10692	6.7
229.08392	7.9
229.12262	5.9
233.04640	4.5
236.21098	3.9
245.11716	20.3
247.13420	8.3
272.13937	7.2
305.11896	15.6
331.13461	5.6
333.11469	4.7
345.15024	9.4
346.11368	4.1
389.17606	10.7
417.17194	4.9
445.23746	10.4
473.23257	10.6
491.31027	15.1
495.74890	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	491.2426
Annotation	Macaflavanone B
Peak:m/z	Relative Intensity
52.26509	9.1
57.07067	100.0
61.93672	9.9
74.69899	11.6
74.81364	8.8
85.06553	32.5
123.79887	11.5
161.05972	22.7
173.09529	12.1
203.03542	11.5
226.00919	12.0
279.10306	34.3
302.09512	15.1
305.11755	24.8
307.09741	49.6
361.18127	24.8
373.14368	33.5
389.17645	24.2
391.15695	33.4
407.18753	15.3
445.24176	12.8
455.22470	26.5
461.95691	13.0
491.24103	27.6
491.31146	41.1
519.89252	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	491.2424
Annotation	Macaflavanone B
Peak:m/z	Relative Intensity
57.07065	100.0
67.05499	5.0
67.34784	2.8
69.07059	2.4
69.64550	2.5
81.07017	3.2
85.06538	32.5
93.06981	3.6
105.07058	3.9
106.63391	2.7
109.06540	2.9
114.47061	2.9
133.06546	4.2
154.04611	3.1
161.05988	51.3
162.06693	15.5
177.05269	3.0
185.05988	5.7
189.05444	12.6
203.07039	12.2
245.11772	12.5
246.12477	32.8
247.13225	10.5
261.11871	3.0
279.10117	4.6
290.62601	3.6
305.11771	10.7
307.09677	11.9
349.10587	5.6
361.17847	4.0
373.14322	5.8
389.17422	11.0
391.15329	7.6
392.16147	7.3
407.18420	10.1
473.23044	5.9
491.24127	30.1
491.30499	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	491.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90939	2.0
55.01849	2.8
57.06804	2.9
57.07065	40.5
62.77402	2.5
67.05481	3.4
67.15884	2.6
69.03426	2.9
83.04928	3.3
83.20075	2.3
85.06527	14.8
86.24400	2.5
91.05452	5.2
95.08622	4.9
97.02895	2.7
98.05582	2.5
101.67764	2.8
105.07030	5.2
115.05453	4.4
117.06973	3.0
121.06480	4.6
128.06088	3.6
129.07007	6.5
131.08586	7.9
133.06509	5.0
134.42213	2.6
135.08058	2.7
137.05975	5.8
141.06984	4.4
144.05695	5.2
145.06509	8.1
147.08037	6.6
151.03862	15.4
157.06454	6.0
158.07248	3.8
159.08044	17.5
161.05949	35.8
162.06735	5.6
163.07533	11.2
171.08105	3.2
175.07500	9.6
180.53355	2.7
184.08740	2.7
185.05971	46.8
187.07542	3.0
189.05432	64.5
191.06998	3.9
199.11133	12.8
201.12781	4.0
203.07005	43.9
220.09558	3.1
227.10663	5.6
245.11725	40.1
246.12508	9.7
247.13263	100.0
288.13269	4.3
305.11633	6.0
315.10373	3.3
329.11581	2.8
333.11032	7.2
345.14935	6.9
361.17938	3.8
389.17361	5.3
413.01654	3.3
417.17136	3.3
435.17725	5.4
445.23700	7.2
473.23071	8.1
490.30280	3.6
491.23532	4.5
491.30518	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	24.2
63.36362	0.9
69.15936	0.7
74.22112	0.6
75.43862	0.6
79.05526	1.7
82.00540	0.7
83.04948	1.1
83.63274	0.8
85.06075	1.0
85.06538	10.7
105.07008	2.7
131.99690	0.8
137.05962	2.3
151.03853	1.6
161.05960	100.0
162.06445	1.0
175.07541	6.1
189.05504	1.0
203.06984	1.0
217.12137	1.1
245.11679	4.8
248.54367	0.8
259.13336	6.5
283.13245	1.1
320.30286	0.9
343.19055	4.6
349.10516	1.1
389.17401	3.2
407.18454	2.4
491.23730	7.4
491.30289	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	491.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34126	0.6
50.91483	0.5
57.06800	0.7
57.07066	11.3
57.71321	0.6
73.73166	0.6
74.40302	0.7
79.05464	1.4
79.60720	0.7
81.15749	0.7
82.76485	0.6
83.04969	1.2
85.06542	5.7
91.71587	0.7
105.07014	2.8
133.06503	1.6
137.05998	1.0
151.03856	1.2
157.06503	1.7
161.05963	100.0
162.06247	1.2
163.82826	0.7
171.49489	0.7
175.07570	2.8
185.05974	5.1
189.05417	1.2
196.98187	0.8
203.07022	12.0
217.12337	0.9
245.11653	5.0
246.12473	5.1
247.13300	3.0
258.13068	0.8
259.13269	3.1
283.13239	1.1
343.18918	2.6
343.33493	0.7
407.18265	1.5
491.24118	7.9
491.30240	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	491.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77235	17.6
57.07056	32.7
73.77662	17.3
89.86565	17.7
93.07012	20.7
95.08636	17.9
97.14680	18.0
121.41766	16.4
124.30116	19.3
128.16962	19.5
142.65573	18.3
235.52808	20.8
267.79199	20.5
300.53418	23.3
491.28146	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30626	2.4
55.05265	2.6
55.05499	17.4
55.05706	2.5
56.68423	2.4
57.07061	3.2
59.65873	2.8
67.05490	16.4
69.07048	14.0
77.81540	3.1
81.07046	16.0
83.08594	6.5
83.67714	2.9
84.64186	3.1
93.07044	3.7
95.08593	17.0
109.10141	6.3
110.19672	3.1
121.10063	3.7
121.85455	3.2
124.29390	3.5
130.95125	3.4
155.70387	3.9
222.06851	3.1
223.07553	5.9
225.05489	9.5
235.07521	8.0
237.05446	4.5
239.07120	6.6
241.05058	7.8
251.03456	4.9
251.07001	9.4
255.06528	6.6
265.08606	7.6
267.06546	7.5
279.06494	4.2
279.10040	3.6
281.08105	9.5
291.06183	3.8
303.10098	4.8
455.25787	4.8
473.27130	18.6
491.29117	100.0
507.49011	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	491.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39774	1.8
54.26658	1.9
57.07068	42.1
58.07396	2.9
65.03938	1.9
67.05501	3.7
79.05473	6.5
81.07043	5.1
82.36259	1.9
85.06546	12.2
91.05483	7.5
91.71071	4.8
93.07047	8.5
95.04955	4.3
95.08554	2.1
105.07012	14.1
107.08588	11.5
109.10179	3.3
115.05508	2.3
119.08566	4.5
121.02927	4.7
137.05995	3.8
139.06384	2.1
145.06425	3.4
151.07611	2.3
159.64914	3.0
161.05966	100.0
161.13246	5.2
171.11717	2.4
181.10081	3.4
185.06003	5.4
189.05437	16.0
189.12769	3.3
196.08737	3.7
197.09497	3.1
201.09137	2.6
203.07089	4.5
209.09668	4.5
223.11197	2.4
227.10669	3.8
239.14189	5.2
245.11711	15.2
247.13342	4.7
267.13846	7.9
285.14874	24.0
311.16461	3.3
389.17081	3.6
407.17624	5.5
455.50067	2.6
463.24741	2.9
491.22690	13.0
491.29993	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	491.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
55.05510	8.9
57.03423	2.8
60.08133	1.6
60.63896	1.4
65.03965	1.7
67.05502	11.0
68.21170	1.4
69.07063	13.6
73.53500	1.5
79.05467	3.6
81.07047	16.8
83.07272	1.5
83.08605	6.9
85.54638	1.5
86.09677	3.3
91.05476	15.6
93.07014	5.1
95.08611	13.8
97.06514	2.1
97.10163	4.3
104.10750	4.2
105.07018	2.1
107.08619	3.6
109.10155	5.7
119.04942	22.1
119.08597	2.6
120.92075	1.6
121.10152	3.5
133.10153	3.3
135.11699	2.9
137.13341	1.7
147.04407	100.0
149.13239	3.0
165.05487	8.4
217.19540	4.3
235.20531	3.8
250.18340	2.3
327.25235	13.3
435.00290	2.1
471.95023	2.2
491.30200	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	491.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.6
55.05288	0.7
55.05512	6.7
57.03429	2.2
57.07073	1.4
65.03923	1.2
67.05493	10.2
69.07057	10.4
79.05494	2.4
81.07051	12.6
83.08622	5.4
85.06547	1.0
91.05473	11.1
93.07024	4.2
95.08602	10.3
97.06531	1.6
97.10165	3.9
105.07024	1.8
107.08582	2.3
109.10158	3.5
111.11716	1.3
119.04937	21.2
119.08561	1.8
121.10142	2.8
123.11707	1.3
127.83452	0.7
133.10159	1.5
135.11684	3.0
147.04407	100.0
147.11681	1.0
150.03656	0.7
156.41402	0.8
161.13208	0.9
165.05460	11.7
174.41841	0.7
217.19440	1.6
235.20549	2.5
253.07211	0.7
266.21130	0.7
309.24063	1.5
327.25281	14.2
473.28513	0.8
491.29813	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07050	8.1
61.32673	8.4
62.82489	8.1
95.14373	8.5
144.93915	8.9
161.06041	10.8
229.08417	32.1
247.85442	9.4
272.13852	33.6
340.50494	11.0
491.31207	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3131
Annotation	BIX01294
Peak:m/z	Relative Intensity
57.07052	1.5
61.50159	1.3
75.45672	1.3
101.82761	1.6
102.46072	1.5
161.05969	2.0
191.01740	1.5
244.69054	1.8
262.74109	1.6
296.86084	1.9
320.57465	1.8
429.40601	1.9
487.35312	2.0
491.30902	100.0
492.30981	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	491.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07052	1.5
61.50159	1.3
75.45672	1.3
101.82761	1.6
102.46072	1.5
161.05969	2.0
191.01740	1.5
244.69054	1.8
262.74109	1.6
296.86084	1.9
320.57465	1.8
429.40601	1.9
487.35312	2.0
491.30902	100.0
492.30981	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	491.3134
Annotation	BIX01294
Peak:m/z	Relative Intensity
53.15398	3.3
57.07055	11.3
57.45934	3.1
63.77098	3.2
67.00269	2.8
85.06543	4.1
91.71033	4.3
120.74162	3.5
193.12831	4.3
321.73331	4.0
491.24771	7.9
491.31274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	5.1
55.05495	24.7
56.59936	4.7
67.05496	50.4
68.99757	5.9
69.07056	28.7
73.00947	5.6
78.54353	6.2
79.05479	19.8
79.44534	5.6
80.64693	6.7
81.07054	39.1
83.04988	6.1
83.08615	10.8
85.02946	5.5
91.05486	12.7
93.07050	14.3
93.30692	5.6
95.04970	17.7
95.08597	30.6
97.06541	8.3
105.07041	7.4
107.08585	65.2
109.10167	16.5
115.05369	8.0
117.07003	8.5
121.02897	27.5
123.11728	8.3
127.03924	13.3
135.08047	30.3
139.03897	79.4
151.03915	11.4
155.58344	6.9
163.07587	13.1
181.08588	43.8
192.02582	5.7
229.57777	6.7
429.33615	32.9
447.34622	40.6
473.36133	23.4
491.29810	100.0
491.37277	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97418	0.7
55.01878	0.8
57.03419	4.4
60.04492	1.0
61.85885	1.0
62.71683	1.1
62.93405	0.8
67.19676	0.9
69.03420	17.9
69.71996	0.9
70.06606	1.2
75.64037	0.9
85.02892	13.0
87.04452	12.1
91.71605	1.6
97.02904	11.3
103.05461	32.6
115.03928	12.8
127.03915	1.2
131.04919	100.0
133.04968	10.2
140.25278	1.0
145.05121	0.9
150.07626	4.4
163.07521	39.6
213.87924	1.2
309.58423	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00183	1.1
53.00288	1.8
53.03922	1.3
55.01858	1.8
57.03425	3.5
60.06829	0.9
61.02918	6.2
66.85217	1.0
69.03419	17.2
71.04977	2.6
73.02897	2.9
75.69698	1.4
81.03397	6.9
85.02893	100.0
91.03926	3.3
97.02883	23.3
99.04437	4.1
109.02868	8.2
109.06508	31.3
114.53293	1.2
118.43316	1.2
127.03904	22.4
143.94934	1.3
145.04950	35.1
151.11169	23.2
152.87196	1.4
163.05971	11.6
180.08662	1.8
204.08603	1.9
325.11304	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	492.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87486	2.0
57.03430	20.9
57.23531	2.2
59.04985	5.5
60.04506	3.8
61.02934	2.4
65.01396	2.1
66.68190	2.0
69.03416	98.9
70.06567	2.1
71.48686	2.5
74.71300	2.1
75.04461	5.3
81.03419	2.8
85.02892	63.1
87.04458	68.4
89.99696	2.2
97.02881	78.6
98.06091	4.2
99.04422	4.5
115.03916	100.0
124.05182	26.2
127.03901	9.0
133.04955	82.8
139.07509	50.1
140.40109	2.8
145.05003	3.7
150.07553	13.1
163.07524	2.9
163.11215	6.7
174.07526	3.3
181.12209	24.5
236.94545	3.0
277.09189	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50624	1.3
53.06189	1.1
55.05511	2.5
57.03421	8.8
58.18942	1.2
65.39273	1.2
66.56825	1.2
69.03443	2.1
71.04983	92.8
73.02909	1.8
75.04494	5.1
81.07053	2.7
83.04967	16.7
85.02896	100.0
86.06081	3.0
87.04483	4.0
95.08604	2.2
95.33434	1.3
97.02927	4.3
98.06084	1.8
99.10947	1.5
111.04434	6.9
127.03963	2.2
129.05469	44.9
129.06407	2.3
134.74739	1.4
147.06508	14.8
149.09595	26.8
150.47217	1.4
164.09193	1.8
167.10648	20.7
167.11948	1.9
237.07756	1.4
277.14377	3.7
295.15421	8.7
309.12024	1.5
313.53717	1.7
315.36215	1.6
363.57803	1.5
369.35681	1.8
432.82330	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	492.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	11.6
57.07303	1.9
57.30335	1.7
65.41350	2.1
66.11834	1.9
79.05457	2.3
81.07051	2.7
85.06549	5.1
91.05463	5.9
93.07024	4.4
107.04952	5.8
119.04946	3.4
119.61746	2.6
121.06472	11.7
123.04429	2.6
131.04935	7.9
137.06003	7.5
142.53094	2.5
149.06015	15.1
152.04706	3.5
159.04437	2.8
166.07388	3.1
167.07019	100.0
167.08447	5.4
177.05441	26.9
178.79268	2.6
181.08592	4.2
191.07048	3.1
203.54744	2.3
209.08046	20.9
227.09096	51.9
273.14792	3.2
314.14600	2.6
325.14224	5.0
427.20956	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	492.2956
Annotation	Epothilone G2
Peak:m/z	Relative Intensity
50.30735	1.1
55.05513	1.7
56.05020	1.5
60.04519	100.0
67.05490	8.0
71.01345	2.0
71.94689	1.5
72.04501	1.7
79.05458	1.8
81.03411	3.1
81.07050	6.9
85.12326	1.3
91.05475	4.8
93.07037	2.5
95.04954	2.3
95.08604	4.3
96.85020	1.4
97.02932	3.2
105.07082	1.7
107.08595	2.2
109.10165	3.6
119.04957	11.0
121.06620	1.5
121.10139	4.5
123.11751	2.3
135.11642	2.0
147.04414	36.0
165.05440	9.9
275.19998	3.9
292.22629	12.4
293.20929	9.8
310.23663	6.9
456.27112	7.0
474.28610	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	493.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78387	0.5
53.20970	0.5
56.97851	0.5
61.15423	0.6
63.30500	0.5
66.76678	0.6
68.63795	0.6
77.68914	0.6
80.72903	0.8
83.89336	0.9
84.36975	0.6
91.71021	0.9
93.57219	0.8
100.03950	0.8
120.51728	0.9
136.66200	0.7
145.80663	0.7
153.01787	0.9
187.55997	0.7
204.56462	0.8
207.84836	0.7
242.05807	1.1
258.05167	2.7
261.07455	0.7
270.05179	9.3
271.85376	0.8
273.04086	0.9
285.95523	0.8
286.04709	2.2
287.05450	2.9
288.27686	0.8
301.03345	1.1
302.04205	1.5
315.04941	30.1
316.05637	3.3
331.08084	100.0
332.08316	1.9
480.35135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.134
Annotation	Myricetin 3',4'-dimethyl ether 3-rhamnoside
Peak:m/z	Relative Intensity
51.55109	2.2
52.07997	2.2
53.85154	2.3
60.83691	2.4
64.58147	2.4
66.95332	2.4
85.02882	3.3
91.73754	2.8
137.02365	3.8
137.55864	3.4
153.01816	8.8
182.02913	3.1
258.05295	6.1
276.56027	3.2
286.04675	6.4
323.41852	3.6
326.15900	3.6
330.26154	4.3
331.04572	10.4
332.05270	8.3
347.07593	100.0
492.30170	59.8
493.30029	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.134
Annotation	Myricetin 3',4'-dimethyl ether 3-rhamnoside
Peak:m/z	Relative Intensity
54.27053	2.5
54.81423	2.5
57.03421	6.3
59.33879	2.5
68.54368	2.7
69.94019	3.0
70.06586	7.9
71.04985	52.9
72.08144	6.0
85.02897	49.3
86.09693	4.9
88.18256	3.1
89.03820	3.1
91.05495	3.2
106.32330	2.8
119.03665	3.2
120.08115	4.5
129.05464	11.1
137.05945	4.8
151.03816	3.8
153.01874	6.1
174.09969	3.6
203.80605	3.3
258.05161	9.0
286.04608	3.9
287.05508	5.1
315.05090	4.8
331.04465	13.7
332.05280	5.2
347.07590	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1337
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
50.57464	0.9
58.50065	0.9
63.55916	1.0
69.03411	2.7
69.80333	1.0
81.03445	1.1
85.02901	9.5
85.79678	1.1
86.03201	1.5
87.77189	1.0
91.05453	1.2
94.87165	1.2
97.02893	3.6
109.02850	1.3
109.06506	3.2
110.06868	1.3
127.03924	2.0
137.44815	1.3
142.36974	1.1
145.04958	3.7
151.11215	2.8
153.01808	1.2
163.06102	2.2
175.34436	1.2
204.41570	1.2
229.46820	1.2
231.14549	1.4
240.38792	1.3
242.05751	4.6
252.00447	1.3
270.05228	10.0
271.06305	1.5
273.04050	1.7
287.05499	4.8
301.03537	1.4
302.04047	1.7
315.04947	36.2
316.05679	15.0
322.51010	1.3
331.08069	100.0
403.68103	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	493.134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27053	2.5
54.81423	2.5
57.03421	6.3
59.33879	2.5
68.54368	2.7
69.94019	3.0
70.06586	7.9
71.04985	52.9
72.08144	6.0
85.02897	49.3
86.09693	4.9
88.18256	3.1
89.03820	3.1
91.05495	3.2
106.32330	2.8
119.03665	3.2
120.08115	4.5
129.05464	11.1
137.05945	4.8
151.03816	3.8
153.01874	6.1
174.09969	3.6
203.80605	3.3
258.05161	9.0
286.04608	3.9
287.05508	5.1
315.05090	4.8
331.04465	13.7
332.05280	5.2
347.07590	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1336
Annotation	Myricetin 3',4'-dimethyl ether 3-rhamnoside
Peak:m/z	Relative Intensity
52.02903	1.1
54.28027	1.0
55.05480	1.1
57.03415	4.8
69.64449	1.1
71.04981	52.4
75.04472	1.3
76.06844	1.2
85.02897	44.1
86.09676	1.2
87.04462	1.8
91.71681	1.5
98.05992	1.7
101.95972	1.2
110.01218	1.3
111.04479	1.8
120.08115	1.0
129.05493	7.2
147.04378	2.3
153.01791	5.8
153.05414	1.4
165.01852	2.1
216.04149	1.3
229.05081	1.5
230.05873	1.7
244.03676	1.7
258.05197	8.8
259.05954	2.1
286.04733	4.8
287.05487	3.3
303.04953	4.3
306.05576	1.4
313.03436	1.8
314.04193	2.2
315.05035	3.5
331.04431	12.4
331.08063	1.9
332.05368	6.2
347.07590	100.0
348.07867	1.3
517.42633	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	493.134
Annotation	Myricetin 3',4'-dimethyl ether 3-rhamnoside
Peak:m/z	Relative Intensity
50.28407	1.0
53.46534	1.0
54.31899	0.9
56.05022	1.1
57.03435	7.9
59.31233	1.0
60.35333	0.9
66.54964	0.9
67.05473	0.9
70.06565	2.0
71.04982	58.4
75.04479	1.1
83.04971	2.0
83.93925	0.9
85.02897	49.1
86.09707	1.2
87.04444	1.2
91.05479	3.0
92.31803	1.1
98.06023	2.5
103.05457	1.7
105.07030	1.6
106.96384	1.1
107.51696	1.2
111.04456	2.1
115.81513	1.1
121.02916	1.2
121.06484	1.3
122.03659	3.6
129.04681	1.3
129.05473	7.1
131.04909	2.5
134.03700	1.0
137.02312	2.0
137.05971	28.3
139.03891	3.9
147.22258	1.2
151.07520	6.1
153.01805	8.5
153.05476	4.6
163.07498	2.8
165.01833	2.2
168.96152	1.2
175.07510	1.7
177.05576	1.3
181.04982	2.2
195.08037	1.2
227.10712	1.7
230.05658	1.4
246.10545	1.1
255.10138	1.8
258.05243	4.4
259.05957	2.5
269.04593	1.6
285.04092	1.6
285.11319	1.4
286.04614	3.9
287.05518	8.7
287.12827	3.2
291.08780	2.1
314.83289	1.2
315.04987	1.8
331.04395	5.3
332.05231	2.5
347.07578	100.0
348.08087	2.7
493.23697	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	493.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
73.31313	3.6
74.69450	3.7
81.03416	9.2
86.75468	3.6
91.05424	3.7
91.79609	3.7
116.06254	3.9
117.07072	3.9
122.03707	7.7
123.04465	6.5
131.04945	6.8
137.05975	100.0
151.03894	6.1
175.07471	4.2
253.08409	5.1
259.05997	7.1
271.05859	25.0
283.61566	4.7
420.98895	5.1
457.89877	5.4
493.14856	99.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33441	6.0
55.01873	10.2
57.03429	14.4
60.08161	13.9
70.06566	16.0
72.08153	8.5
81.03426	14.8
85.02899	48.9
86.09716	8.8
89.97887	6.5
91.05452	7.1
95.25194	6.2
97.02898	16.9
101.45740	5.1
103.35867	6.0
109.02883	16.6
119.04979	11.4
121.02863	36.4
123.04439	11.4
131.04857	7.7
139.03911	6.6
142.48575	6.6
144.75360	6.2
146.06009	10.0
147.04437	17.2
149.05937	7.7
151.03902	16.0
159.04478	11.0
161.05983	13.1
163.03912	32.4
171.04425	21.5
173.06039	11.9
175.03937	49.7
177.05496	19.8
181.05017	34.7
181.06386	10.0
185.06032	17.2
187.03836	38.1
188.07079	15.3
189.05493	15.7
191.07019	10.7
193.04984	54.8
197.05983	7.7
198.96552	7.6
199.03932	14.6
201.05504	30.1
203.07080	11.8
205.04927	54.7
211.06052	14.3
213.05559	22.6
215.06982	10.0
217.04993	47.8
219.02945	16.1
219.06607	26.5
221.04427	41.1
223.06024	52.4
229.05023	21.5
231.06676	33.1
231.25555	7.4
235.05957	47.0
241.04979	16.8
243.06558	25.4
245.08147	13.4
247.06003	95.1
247.14590	8.8
253.04890	14.6
256.23907	9.5
259.06018	96.0
271.05984	47.0
273.07562	11.5
277.07059	65.1
283.06049	29.9
285.07639	15.8
289.07034	100.0
297.07620	10.7
301.07034	86.5
307.08160	30.1
313.06906	56.3
319.08038	20.8
324.27734	7.8
325.09134	75.8
331.08209	13.9
337.09140	22.8
343.08066	55.9
350.03403	8.2
355.07932	11.0
355.10263	13.2
361.08920	40.6
367.08020	12.5
373.09045	35.1
379.10260	24.2
385.09097	15.1
391.10037	45.2
403.10324	20.8
421.11310	31.8
439.12247	23.8
473.61215	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	493.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28822	2.4
52.65793	2.4
55.01865	2.9
58.14187	2.6
66.46693	2.4
69.35113	2.4
91.05460	4.2
93.07079	3.5
95.04963	2.8
95.92031	2.6
105.07033	3.1
107.04946	100.0
109.68541	2.5
117.06984	3.2
119.04951	4.4
121.06515	4.6
123.04450	2.7
124.96869	2.6
131.04938	5.2
134.28192	2.9
137.05951	21.7
151.62482	3.2
163.07512	3.2
167.08528	7.0
175.07552	5.4
177.05577	4.6
177.07040	8.0
194.07359	6.8
194.25891	2.7
195.08047	16.6
205.06512	9.4
206.07112	3.8
209.09514	4.9
221.09406	3.2
222.06915	3.9
223.07452	18.8
226.23784	3.0
237.09119	8.6
240.08061	2.8
249.09088	5.7
255.10118	65.4
255.12729	4.0
269.11859	3.8
281.11887	4.4
291.10172	3.3
307.09979	3.0
335.47141	3.5
347.07556	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28822	2.4
52.65793	2.4
55.01865	2.9
58.14187	2.6
66.46693	2.4
69.35113	2.4
91.05460	4.2
93.07079	3.5
95.04963	2.8
95.92031	2.6
105.07033	3.1
107.04946	100.0
109.68541	2.5
117.06984	3.2
119.04951	4.4
121.06515	4.6
123.04450	2.7
124.96869	2.6
131.04938	5.2
134.28192	2.9
137.05951	21.7
151.62482	3.2
163.07512	3.2
167.08528	7.0
175.07552	5.4
177.05577	4.6
177.07040	8.0
194.07359	6.8
194.25891	2.7
195.08047	16.6
205.06512	9.4
206.07112	3.8
209.09514	4.9
221.09406	3.2
222.06915	3.9
223.07452	18.8
226.23784	3.0
237.09119	8.6
240.08061	2.8
249.09088	5.7
255.10118	65.4
255.12729	4.0
269.11859	3.8
281.11887	4.4
291.10172	3.3
307.09979	3.0
335.47141	3.5
347.07556	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65208	2.0
61.70382	2.1
65.03893	2.0
69.07068	2.5
71.04973	3.8
85.02882	4.4
86.09679	3.1
91.05473	8.1
94.04174	4.2
95.04948	3.3
103.05471	4.9
103.33676	2.3
103.69021	1.9
109.06506	3.0
110.86922	2.3
112.75343	2.0
119.04948	4.9
121.06516	2.7
122.03668	8.6
131.04933	8.6
133.06438	2.9
137.05969	100.0
149.06065	2.8
151.07533	23.2
161.05963	3.7
163.07506	16.7
165.06999	2.6
167.08569	4.0
171.96939	2.6
189.09163	3.7
195.08072	3.4
207.22977	2.1
221.06094	3.0
223.07629	2.6
227.10690	9.2
255.10211	5.3
267.10287	3.4
282.88397	2.6
285.11182	3.9
287.12631	10.8
289.05847	3.1
351.16022	3.3
501.50467	2.4
510.11972	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	493.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
70.61789	1.2
79.05488	1.4
81.07046	3.1
82.63652	1.1
83.08619	1.4
84.18585	1.3
84.54187	1.2
85.02882	1.4
88.21091	1.3
89.38041	1.3
91.05457	9.1
94.04189	4.1
94.78874	1.1
95.04988	3.2
100.11256	1.9
103.05457	4.9
105.07018	2.7
107.30996	1.3
109.06529	1.7
111.04391	1.4
119.04936	5.2
120.16506	1.2
121.06527	2.1
121.90270	1.2
122.03636	10.2
124.10918	1.1
124.11849	1.3
128.06229	1.5
129.06992	2.7
131.04851	5.9
131.37888	1.1
133.06483	1.9
137.05974	100.0
149.06009	2.7
151.07538	24.8
152.06219	1.6
161.05943	4.0
163.07518	13.5
165.07001	3.3
167.08583	2.7
174.06831	2.0
175.07573	3.4
182.15347	1.4
187.07527	2.1
189.09090	4.0
191.62788	1.2
193.06462	1.4
195.08064	5.2
197.05946	1.4
210.06758	2.2
221.05965	3.2
223.07545	2.0
225.09325	2.6
227.10710	5.0
233.09758	1.4
253.08508	2.9
255.10150	3.8
285.11264	5.6
287.12790	10.8
313.14429	2.1
319.13281	1.4
334.12738	1.5
351.15839	3.2
493.36884	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	493.2586
Annotation	Kadlongilactone B
Peak:m/z	Relative Intensity
57.07067	100.0
67.26889	6.2
69.07049	6.2
85.06539	36.6
91.05507	11.0
93.07035	8.2
105.07059	11.2
133.06477	9.1
135.08078	18.8
137.09703	9.9
204.16582	7.1
229.12297	7.9
285.10806	10.6
293.74234	8.4
297.14853	12.3
307.13156	9.4
309.11444	9.8
325.14316	27.0
365.17227	12.8
391.18997	16.8
394.49057	7.5
409.20334	27.7
475.24759	14.5
493.25787	73.7
493.32050	12.1
503.24707	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	493.2582
Annotation	Amorisin
Peak:m/z	Relative Intensity
50.07844	2.5
52.65550	2.1
55.05506	3.2
57.07067	100.0
67.05488	3.4
69.03436	3.3
69.07056	3.3
72.94888	2.4
77.73840	2.5
79.05495	7.1
81.07030	4.3
83.04972	3.1
85.06535	41.9
87.79484	2.5
91.05489	11.6
95.04987	6.8
95.08623	3.1
115.05444	6.3
117.07035	15.8
125.09648	8.4
125.77148	2.6
129.06990	4.4
131.04935	3.8
131.08539	4.5
137.05988	12.9
145.06502	10.5
151.03912	6.5
161.05949	8.0
166.07646	3.4
167.48366	2.7
175.07535	41.5
175.11099	3.5
184.08905	3.6
187.11198	5.1
201.12810	11.5
203.06984	5.3
211.07646	3.3
229.12221	38.3
234.06618	3.0
247.13246	5.4
249.09114	6.9
256.94769	3.5
259.13232	21.8
305.84256	3.1
351.15997	6.8
352.26074	3.1
358.00803	3.5
374.60825	3.7
391.19009	12.8
447.25305	6.7
457.23953	6.6
475.24640	13.3
493.25638	10.4
512.66968	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	493.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46938	0.6
55.77711	0.7
57.07071	4.3
65.71981	0.6
67.05474	0.8
79.05458	1.4
83.04979	1.0
85.06524	2.6
93.06998	0.9
95.04952	0.6
105.07034	3.5
107.04961	1.2
115.74257	0.8
116.57132	0.7
125.06006	1.7
129.07111	0.9
131.08568	2.2
133.06474	1.1
135.04393	1.3
141.06967	1.5
144.05643	1.4
145.06514	1.6
147.08054	2.2
159.08058	4.5
161.05959	100.0
162.06212	1.1
166.99329	0.7
175.07504	1.0
185.05949	1.3
187.07544	7.4
203.07014	1.6
229.12318	1.0
230.12981	3.4
231.13753	4.5
245.11609	2.9
247.12944	1.1
288.91254	0.9
338.12610	0.8
475.24689	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	493.2583
Annotation	nymphaeol C
Peak:m/z	Relative Intensity
57.07063	17.5
63.07935	0.9
67.05482	1.4
69.07066	1.5
79.05482	4.1
81.07040	2.2
83.05011	1.5
85.06535	6.9
90.79324	0.9
91.05506	1.8
91.71083	1.5
93.07052	1.4
95.04981	1.8
95.08585	2.9
97.06517	4.4
103.05450	1.8
105.07020	5.2
107.04949	1.5
107.08575	0.9
111.22542	1.0
111.74846	1.0
113.29007	0.9
115.05402	1.2
116.94034	1.0
119.08573	1.5
121.06534	1.3
125.05990	11.0
131.08591	1.9
133.06509	1.5
145.06482	4.3
147.08028	1.6
151.07545	1.9
159.08038	5.1
161.05963	100.0
162.06293	3.6
163.03783	1.3
173.09755	1.2
185.06010	1.0
187.07552	6.0
192.19748	1.1
201.09047	1.3
203.07045	3.0
229.12148	1.2
230.12976	4.4
231.13803	3.3
244.34953	1.1
245.11714	4.2
247.13313	3.8
257.11688	5.7
267.14059	1.6
353.60150	1.0
369.20596	15.0
391.18884	1.5
442.48190	1.0
475.24628	4.2
493.25876	3.8
495.58377	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53223	1.9
57.07070	34.9
59.61960	1.9
59.97444	2.1
60.50823	2.0
60.72895	2.0
67.05506	6.8
69.07071	2.6
71.04990	2.5
73.85381	2.2
79.05479	34.0
79.05849	2.4
80.41784	2.4
81.07057	6.0
85.06559	12.5
91.05502	9.4
93.07057	8.3
95.04964	5.6
95.08615	4.5
96.50749	2.7
97.02918	8.2
104.67046	2.6
105.07063	10.5
107.04933	3.2
107.08637	9.2
117.07037	4.4
119.08596	5.0
129.06984	3.0
131.08606	3.7
131.58208	2.6
133.06477	3.6
135.08083	4.9
137.06006	3.4
145.06479	6.0
151.07611	4.9
159.08203	4.0
161.05972	100.0
161.07323	5.1
163.07504	3.4
163.11154	16.0
185.06023	4.2
186.15335	3.4
189.05504	3.6
191.14398	3.9
196.47852	2.6
201.12813	3.1
203.06975	13.9
203.14368	9.4
219.13759	18.8
221.15425	4.8
229.12289	3.6
229.72166	2.8
234.18616	2.9
245.11745	5.8
246.12654	4.8
247.13408	9.0
249.14868	14.8
267.13974	3.6
283.13153	3.7
321.14917	6.0
391.19070	10.4
405.20789	6.1
446.83566	3.7
463.65109	3.6
475.24545	31.7
493.25122	23.1
493.31924	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	493.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	20.8
71.97040	1.6
79.05484	5.7
81.07057	1.8
83.04964	2.1
85.06531	6.9
91.04633	1.7
91.05470	7.3
91.11588	1.6
93.07025	2.9
95.63406	1.6
97.02895	9.3
99.01929	2.4
105.07000	6.4
106.05799	2.1
107.04938	6.1
107.08592	6.9
109.06532	5.3
117.07003	2.2
119.08584	2.4
121.06470	3.5
125.05982	2.7
133.06476	2.9
135.08040	4.6
139.07538	2.9
143.08659	2.0
143.31712	1.9
144.10223	2.0
145.06477	4.0
159.08005	2.2
161.05956	100.0
161.82083	2.1
163.07625	3.8
163.28737	1.7
163.76674	2.0
203.14354	5.5
219.13843	3.0
229.12228	2.7
231.13831	3.8
245.11688	6.0
245.94862	2.2
247.13338	8.6
249.14835	7.9
273.72559	2.0
283.13080	3.3
356.04877	2.5
369.20770	2.8
373.18423	2.3
391.19199	2.9
475.24799	4.6
493.25134	12.2
493.31693	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66415	8.2
55.64903	10.0
56.43745	8.8
57.07077	36.0
60.25788	7.1
62.81430	9.4
67.05509	9.7
67.19157	8.6
69.07066	9.7
76.01325	8.9
81.07063	9.5
85.06555	12.3
91.05544	10.4
93.07072	12.0
102.35541	10.7
105.07088	10.0
109.40153	9.7
134.46927	12.6
135.53726	11.9
151.87894	10.2
161.06001	12.0
207.07091	11.5
245.11630	100.0
475.24988	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	493.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84324	1.6
57.07058	4.6
64.37872	1.6
69.56478	1.6
74.10847	1.7
108.84007	2.0
239.90536	2.2
242.78978	2.3
306.88208	2.7
333.44992	2.2
384.94070	2.3
462.67740	2.1
493.32800	100.0
494.32938	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	493.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84324	1.6
57.07058	4.6
64.37872	1.6
69.56478	1.6
74.10847	1.7
108.84007	2.0
239.90536	2.2
242.78978	2.3
306.88208	2.7
333.44992	2.2
384.94070	2.3
462.67740	2.1
493.32800	100.0
494.32938	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	493.3289
Annotation	bis(7)-Tacrine
Peak:m/z	Relative Intensity
54.66055	1.5
57.07074	10.3
63.13446	1.6
64.25742	2.0
66.08160	1.8
71.88892	2.0
85.06577	2.8
91.63789	2.2
91.70985	3.3
95.08607	3.6
121.72961	2.1
131.73090	2.4
161.06006	2.6
188.41504	2.4
229.12309	3.4
245.11752	5.4
247.13332	2.7
312.27847	2.6
344.54141	2.9
493.25751	5.4
493.32877	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26189	3.4
53.00293	5.7
55.05489	12.7
57.03424	4.9
57.06800	5.2
57.07067	84.3
67.05500	28.0
69.07050	14.5
71.08620	74.0
76.31506	3.8
79.24387	4.3
81.07046	41.3
83.08620	22.9
85.10169	37.4
89.18713	4.8
95.08597	60.5
97.10172	6.5
109.10174	24.3
123.11682	8.5
147.04433	5.0
187.27873	4.8
239.23703	38.6
298.27380	10.7
313.23990	8.4
313.27350	100.0
364.22241	4.6
376.90070	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	493.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16167	2.0
51.77819	2.7
53.00286	3.2
55.05492	8.9
57.03429	7.0
57.07070	80.1
60.71930	2.2
61.02918	3.8
64.72405	1.9
66.86194	2.1
67.05497	23.0
69.07056	16.8
71.05001	2.2
71.08620	64.6
72.72408	2.2
73.84407	2.2
75.04474	2.9
78.78501	2.5
81.07047	31.4
83.08617	23.3
85.10181	31.4
89.06015	2.9
94.90462	2.4
95.08596	47.7
97.10168	14.1
109.10132	23.2
123.11710	6.6
123.48158	2.3
137.13225	4.4
139.45299	3.0
151.14908	2.9
156.93854	3.1
177.96194	2.6
239.23680	34.2
257.24741	2.6
266.01257	3.6
298.27475	3.6
313.27347	100.0
406.55588	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	494.148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83130	2.1
53.84639	2.1
55.01863	4.0
57.34252	2.1
61.43871	1.9
85.02893	4.7
91.05478	30.2
91.71619	2.7
93.07053	4.5
95.04971	7.9
102.04673	4.4
103.05447	14.5
105.07019	14.6
109.06535	3.4
119.04929	32.2
121.06517	8.0
122.03602	6.2
123.04456	3.7
124.05247	5.3
130.04158	5.5
131.04967	3.2
131.45580	3.2
133.06476	10.3
135.04364	3.7
137.05972	100.0
145.06516	3.5
147.04395	37.9
149.05971	11.9
150.06789	11.3
151.06543	2.8
151.07481	13.4
161.05994	32.2
162.06757	54.5
163.07568	2.7
173.05997	4.9
177.05440	6.3
177.40253	2.9
179.07048	9.3
193.05017	8.8
201.05641	3.0
204.04211	3.9
207.06552	5.6
219.06506	20.6
231.06381	3.5
272.68179	3.4
307.09717	3.7
309.10989	3.2
323.09143	19.6
325.10696	8.2
333.55405	3.1
337.10919	3.6
343.11908	8.8
347.69708	3.3
355.11774	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	494.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68431	7.8
56.58388	7.5
57.03423	8.9
71.04986	39.3
81.07028	11.7
81.63520	8.8
83.04964	9.3
85.02907	64.1
91.71043	13.2
109.10149	100.0
111.04441	21.8
129.05478	15.8
145.97168	9.3
151.11169	62.3
169.12262	28.3
212.43912	9.8
494.30579	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	494.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47063	1.1
55.05516	1.5
57.03445	1.7
58.92643	1.2
61.02908	1.4
67.05492	1.8
68.66563	1.2
69.03437	5.2
69.07071	1.7
73.82745	1.2
79.05467	9.5
81.03434	1.9
85.02896	33.9
85.03364	2.2
91.03989	1.6
91.05473	12.2
93.07036	48.6
93.80396	1.1
95.04974	2.9
95.35146	1.3
97.02898	6.2
103.51104	1.2
105.07059	5.7
107.05003	1.2
107.08585	100.0
109.02865	2.1
109.06528	2.9
127.03919	7.7
135.11685	92.7
141.64351	1.4
145.04944	13.7
152.14297	1.6
163.06064	6.0
194.70340	1.3
204.08774	1.5
234.47871	1.4
492.83179	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	494.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29844	0.9
55.05489	2.4
56.05033	0.9
57.03426	11.1
57.15517	0.9
65.99966	0.8
67.05489	2.7
69.03422	3.0
71.04981	93.9
72.46661	0.9
73.02905	1.6
75.04466	4.6
81.07043	4.4
81.81102	1.0
83.04969	9.4
83.06068	1.0
85.02894	100.0
86.06067	2.8
87.04443	2.4
97.02876	3.0
98.06058	1.7
109.02853	1.2
111.04422	5.4
123.11710	12.0
127.03921	3.2
129.05467	41.4
132.76105	1.0
145.04912	2.5
146.08167	1.6
147.06519	14.6
151.11163	14.8
161.93419	1.2
164.09169	7.0
188.09059	1.5
297.16986	4.2
313.16483	1.3
336.13605	1.2
446.12683	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	494.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	7.5
57.03411	3.0
60.04512	3.2
60.08160	30.3
65.51174	2.6
67.04249	3.0
67.05495	14.8
69.03417	3.0
69.05787	5.0
69.07045	7.5
71.04985	4.7
71.08578	2.4
73.80380	2.4
79.05486	8.1
81.07048	28.4
82.05323	3.1
83.04988	2.5
83.08607	3.9
83.33157	3.2
91.05474	8.3
93.07036	9.5
95.04913	3.5
95.08595	14.5
107.04928	4.3
109.06522	6.2
109.10140	5.6
119.08585	9.3
121.10162	3.9
126.02464	19.7
127.03268	67.7
129.07172	3.2
131.08586	7.2
145.04294	66.2
145.10193	4.7
145.42825	3.3
149.60709	2.9
158.54800	2.9
183.83728	3.8
185.09785	36.7
186.10684	3.9
211.82924	3.4
213.06680	3.4
257.69415	3.5
272.22647	3.5
319.89023	3.5
391.20712	4.7
450.27850	100.0
494.26416	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	494.3108
Annotation	Zygadenine
Peak:m/z	Relative Intensity
50.36865	2.7
55.05503	4.5
56.05024	6.8
56.06235	3.2
58.09998	2.8
59.44304	2.6
60.04515	100.0
65.03951	3.5
67.05489	26.4
69.07047	5.8
70.06568	13.7
71.11423	3.1
79.05471	10.1
81.07031	23.8
91.05470	14.4
93.07021	18.0
95.08580	19.0
95.29606	3.1
105.07001	6.3
107.08589	10.0
109.10112	4.2
111.07979	4.2
114.64922	3.6
119.04929	24.4
119.08492	5.5
121.10147	15.0
133.10150	6.2
135.11661	11.1
147.04399	94.7
165.05458	18.3
168.41661	3.5
276.23425	5.9
294.24216	12.3
312.25293	25.1
330.26395	46.4
476.30344	7.5
494.31079	53.4
510.32520	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	494.3111
Annotation	Zygadenine
Peak:m/z	Relative Intensity
50.47835	1.6
55.05510	3.5
56.05019	4.2
56.39872	1.7
59.18583	1.7
60.04515	100.0
61.04866	1.9
65.03956	2.1
67.05492	10.5
69.07045	3.8
70.06587	2.9
79.05484	5.4
81.03384	2.4
81.07047	12.8
83.08578	2.6
86.16561	2.1
91.05470	6.6
93.07027	8.1
95.08591	12.6
105.07068	2.6
107.08591	5.2
109.10148	4.2
119.04941	12.0
119.08528	3.4
121.10153	7.4
133.10086	3.5
135.11673	5.1
147.04398	62.2
147.11723	2.8
148.83017	2.3
165.05447	13.6
186.61241	2.4
194.23860	2.6
259.20654	2.8
277.21521	6.0
294.24326	13.7
295.22513	10.0
312.25082	10.4
330.26266	16.3
355.56833	2.9
370.43250	2.5
458.28555	3.9
476.29865	6.7
494.31085	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	20.8
57.03417	7.8
57.07061	13.9
58.06602	40.4
63.22209	4.6
63.38158	4.8
67.05483	21.1
67.10302	6.4
68.09325	5.5
68.64632	5.4
69.07062	37.3
71.08620	7.5
81.07035	21.6
83.08594	28.6
95.08599	25.8
97.10160	8.2
103.17842	6.0
107.08606	7.5
109.10125	10.1
121.10163	9.8
156.04221	8.1
170.44353	6.0
177.63753	5.7
280.73862	6.7
303.82214	6.6
339.28931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56771	0.7
60.08156	9.9
62.06062	0.7
67.05492	0.8
68.94715	0.8
71.07360	3.7
81.07479	0.7
82.56370	0.7
84.49004	0.8
86.09698	43.1
91.71278	1.9
97.57840	0.8
98.98466	3.0
104.10745	3.8
111.55894	0.7
124.99995	23.0
173.56131	0.7
184.07327	100.0
311.18954	0.9
330.27899	1.1
410.46948	0.9
476.31113	1.3
494.32211	1.4
499.91748	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55934	0.7
55.05512	1.8
56.05019	1.1
57.07082	0.8
58.06594	0.8
60.07861	1.2
60.08154	21.0
62.06064	3.0
62.56593	0.7
63.66695	0.7
67.05483	2.7
67.16227	0.7
67.93168	0.8
69.07046	3.1
71.07359	5.9
81.07046	2.2
83.08607	1.9
86.09695	54.4
87.10009	0.8
91.71572	1.3
95.08609	2.2
97.47824	0.8
98.98486	4.2
103.02844	0.8
104.10735	100.0
109.57722	0.8
124.99998	25.2
127.17317	0.7
128.41870	0.8
147.04416	1.5
166.02614	1.0
184.07327	70.3
311.25711	1.3
330.27960	1.3
452.53656	0.9
476.30920	4.1
494.32343	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	495.1131
Annotation	Myricetin 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
53.00281	0.6
53.03922	0.7
55.01842	0.9
55.02202	0.6
57.03410	2.0
60.04514	0.6
61.02921	2.9
69.03421	7.1
70.06597	0.8
71.04987	1.2
73.02870	1.0
77.91783	0.5
78.30476	0.5
81.03401	3.2
81.35444	0.8
85.02898	18.5
86.09711	3.5
88.46176	0.5
91.03949	0.7
91.42105	0.5
92.21613	0.6
97.02876	5.8
99.04416	0.8
108.02104	0.7
109.02876	4.9
110.83733	0.6
111.00824	1.3
124.01708	0.6
126.18763	0.5
127.03896	1.6
137.02332	1.3
139.03871	2.2
145.04938	1.6
153.01833	10.1
165.01846	1.3
167.03378	1.5
205.05029	0.9
206.05666	0.7
207.02910	0.6
208.03633	1.6
217.05003	2.7
219.02835	7.0
233.04468	1.8
234.05150	1.2
241.21606	0.6
244.03644	2.5
245.04405	3.5
247.02419	0.7
261.03882	0.7
262.04889	0.8
273.03934	2.6
277.06970	0.9
287.05533	0.8
289.03244	3.0
290.04205	2.3
301.03366	5.6
318.03650	27.2
333.06015	100.0
334.06210	1.7
347.41510	0.7
397.50067	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1131
Annotation	Myricetin 5-methyl ether 3-glucoside
Peak:m/z	Relative Intensity
51.90178	1.0
53.03937	1.8
55.04325	1.2
55.87794	1.2
57.03402	1.5
62.19701	1.2
69.03407	4.9
81.03408	2.4
85.02898	15.9
97.02878	6.4
109.02886	3.4
139.03879	4.0
145.04874	1.5
153.01810	9.4
157.13142	1.5
217.04980	2.5
219.02975	3.9
244.03656	2.1
245.04338	3.5
268.33246	1.6
273.03851	1.5
285.88113	1.6
289.03293	1.7
290.04208	2.0
301.03381	7.0
303.20721	1.6
318.03735	9.7
333.06015	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.7
56.18078	2.5
56.60300	2.5
57.76774	2.8
65.03898	3.9
76.44362	2.9
83.83430	2.8
88.33907	2.7
107.04949	3.9
127.03990	3.1
133.02704	3.0
135.04459	3.5
139.03896	100.0
139.04941	5.2
151.03915	29.8
163.03922	38.4
177.05487	5.9
179.03529	3.6
181.05003	7.1
301.07104	22.1
309.06314	3.6
319.08148	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	495.2008
Annotation	14-Methoxytajixanthone-25-acetate
Peak:m/z	Relative Intensity
52.17524	9.5
53.54092	10.2
53.87599	8.0
72.87256	9.7
89.62471	13.3
118.07339	11.6
138.24124	13.0
175.25925	11.5
313.30362	13.0
337.25372	14.3
387.35791	13.2
435.18259	62.7
495.20166	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2739
Annotation	Lappadilactone
Peak:m/z	Relative Intensity
53.03931	7.6
55.05501	7.9
57.07069	100.0
67.05492	14.3
79.05515	8.2
81.03436	12.1
81.07065	14.3
83.04958	35.9
85.06572	32.6
85.99026	6.6
91.05495	14.7
93.91186	6.8
95.04984	24.4
95.08651	7.9
100.09205	6.4
105.07055	14.3
107.04996	8.3
111.04498	22.0
115.05496	7.0
121.06491	13.6
123.04487	20.2
126.30435	6.6
129.07043	7.2
135.04456	13.1
137.09625	17.2
139.56622	8.0
159.08089	11.5
229.12343	15.2
237.95029	8.8
243.04390	8.5
243.13940	11.7
355.22806	10.8
375.19724	31.2
431.25912	12.2
459.25232	36.9
477.26355	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	495.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13907	12.6
57.07069	100.0
67.05492	21.4
69.07106	15.5
75.98080	15.5
79.05487	28.3
85.02920	22.9
85.06543	33.0
88.45644	16.1
91.05495	38.6
93.07034	20.0
117.07020	21.0
166.31729	19.2
184.45741	17.1
187.11246	21.5
201.12885	19.7
213.12744	19.4
240.71954	20.0
252.61769	21.5
394.94904	22.0
417.80756	21.5
445.27084	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	28.0
55.05502	10.2
57.07069	90.3
57.39435	8.7
59.96754	9.7
66.64839	8.9
67.05486	25.8
67.33105	8.5
69.07079	13.2
79.05488	31.8
81.03421	21.6
81.07040	27.9
82.42956	10.7
85.06528	28.5
91.05473	44.1
93.07030	30.7
95.04978	22.8
95.08591	18.4
105.07035	76.6
107.04940	38.6
107.08600	18.8
109.10135	30.5
116.08865	10.7
117.07021	15.0
119.08579	24.1
129.06969	12.9
131.08566	17.9
133.06508	12.0
133.10103	22.4
135.08086	10.6
140.69547	12.0
143.08568	17.4
145.06532	18.1
145.10083	28.6
147.08064	15.7
159.08034	13.5
159.11652	12.1
159.54681	9.7
161.05960	100.0
169.10146	18.5
173.09784	10.3
187.11232	13.2
201.12750	25.6
215.14244	23.9
229.15807	12.6
231.13777	16.5
233.15384	16.0
247.13052	10.8
257.15393	28.7
271.16885	98.8
283.17020	13.5
289.17987	21.2
367.22668	19.9
417.28107	13.9
445.27344	23.1
463.27914	15.3
477.26321	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.202
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	0.6
63.82173	0.5
64.80421	0.5
66.04724	0.7
69.03422	2.6
77.28739	0.5
78.04264	0.5
81.03394	0.9
85.02889	7.5
94.04198	2.8
97.02871	2.9
102.95571	0.6
120.08090	2.3
122.03629	4.3
126.30795	0.6
127.03895	1.7
137.05966	100.0
138.06322	1.0
145.05005	1.5
160.37195	0.5
163.06006	0.6
166.22343	0.6
270.38712	0.6
294.20737	0.6
309.68582	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	7.6
63.25084	1.8
69.03416	37.8
75.04472	2.7
79.05449	2.5
81.03425	2.3
85.02894	29.9
87.04457	23.1
91.05462	3.7
93.07027	2.1
95.04989	3.1
97.02876	29.6
98.06024	3.0
103.05438	3.5
107.04958	10.4
109.46715	1.9
115.03917	33.4
117.53963	1.7
121.06495	6.2
121.69411	2.0
131.04860	2.9
133.04951	19.8
135.04408	15.0
137.05972	4.1
139.03877	3.7
143.61371	2.0
145.04910	2.3
149.06009	3.4
150.07634	4.0
152.04666	5.5
153.05441	2.3
167.07016	100.0
171.96028	2.5
176.79015	2.1
179.07060	2.2
180.01756	2.0
181.08563	9.4
185.08080	54.2
191.07011	10.3
195.06537	16.4
209.08035	20.8
233.08072	4.4
235.09607	3.5
251.09160	7.2
263.09152	11.0
281.10281	11.2
327.73218	2.1
435.98590	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
57.03420	3.4
58.09859	1.5
58.90417	1.2
61.02915	3.6
62.85932	1.2
67.71647	1.2
69.03426	8.9
69.07654	1.5
81.03417	2.3
85.02895	45.0
91.03936	3.3
95.04948	7.1
97.02890	12.0
103.03885	2.2
109.02880	5.0
117.08537	1.3
123.04427	33.4
124.05179	7.1
127.03941	9.2
133.19011	1.3
140.04706	6.1
145.04973	10.0
155.07024	100.0
163.06041	3.3
166.29803	1.7
221.08322	2.5
281.10236	2.3
320.40152	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	496.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
54.10394	0.5
55.01873	0.6
56.85006	0.6
57.03431	0.9
59.43789	0.5
61.02914	1.7
63.21493	0.6
67.05480	1.4
69.03417	3.4
69.07070	1.4
71.13631	0.5
72.80013	0.5
73.02917	1.1
76.16541	0.6
79.05500	1.7
81.03407	1.3
81.07047	100.0
82.07376	0.8
85.02896	32.6
90.27431	0.6
95.08598	6.5
97.02895	8.7
99.04465	1.2
100.11256	1.0
101.24971	0.8
101.81029	0.6
109.02891	2.9
124.03284	0.7
125.86128	0.7
127.03922	8.2
137.06073	0.7
137.13248	27.5
145.04950	14.5
163.05984	7.4
204.08754	2.0
215.73569	0.8
325.11270	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	496.275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	7.1
67.05508	4.5
71.04983	65.8
71.19112	3.5
73.05517	4.0
75.04470	5.9
81.13294	3.7
83.04971	9.0
85.02891	100.0
86.06046	4.6
87.59473	3.6
91.71590	4.7
94.15862	4.2
103.79872	3.8
107.05479	4.3
107.08553	5.6
109.10170	16.7
111.04436	5.3
115.05563	5.1
118.47350	4.4
122.02659	5.8
127.03932	5.2
129.05484	36.8
135.11673	4.2
137.05975	10.2
147.06503	9.8
153.12692	19.8
164.09103	4.8
164.56691	4.9
175.07451	3.8
201.61099	4.0
203.07007	7.7
273.09778	8.2
299.59232	5.2
306.67194	4.8
309.11734	5.9
309.44095	5.1
349.19409	5.2
501.14267	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	496.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88730	3.8
52.55993	4.0
57.03425	8.5
57.42961	4.3
57.77277	4.2
70.06558	9.1
71.04982	63.3
76.89518	5.2
81.07016	5.2
83.04979	11.2
85.02892	100.0
91.71751	5.6
97.02874	8.5
98.53867	5.5
105.66216	4.9
129.05489	31.8
135.11620	6.2
147.06491	12.5
153.12747	13.5
159.95851	5.1
181.49948	5.1
197.56204	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	496.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	4.2
60.01852	2.5
60.08161	24.5
68.87827	3.0
70.94697	3.2
71.07376	7.0
72.25691	2.4
86.09703	58.0
88.65248	2.9
91.71046	4.0
92.21568	3.0
104.10741	100.0
125.00013	27.3
126.77036	2.8
135.83299	2.8
137.52689	3.3
184.07338	78.8
198.85388	3.0
397.96188	3.4
478.32770	7.6
496.33972	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	496.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27927	1.1
57.07057	4.2
58.33280	1.3
60.08157	8.4
67.05489	1.2
71.07362	5.4
81.07021	1.5
86.09171	2.4
86.09694	41.4
93.06966	1.2
98.98444	2.2
104.10739	4.6
124.99995	17.5
140.22665	1.2
164.08321	1.4
172.36064	2.0
173.40736	1.3
177.05579	1.6
184.07330	100.0
193.30194	1.3
205.52063	1.3
238.97771	1.4
260.68698	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.9
65.03906	3.2
67.05495	6.3
77.54586	3.1
83.04967	10.4
91.08733	4.1
91.71014	3.4
95.04961	13.4
110.10227	3.3
111.04424	6.8
120.09385	2.9
127.99764	2.8
137.05963	3.6
139.03882	22.3
151.55591	3.1
157.04988	5.4
160.05194	13.0
165.07002	4.6
177.07047	6.6
181.06558	6.8
195.08089	5.5
205.06543	28.5
213.36121	3.8
221.05962	37.4
223.07518	73.7
223.09454	5.8
233.05989	25.5
239.07146	3.7
249.05450	36.9
251.06989	50.6
267.06589	8.3
269.08096	31.3
277.05002	12.6
285.93143	3.6
295.05972	100.0
313.07050	47.9
341.06491	4.1
503.35394	4.3
518.46741	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	497.1421
Annotation	CHEBI:67640
Peak:m/z	Relative Intensity
57.58739	8.5
60.49234	8.1
62.82544	9.4
63.79030	7.7
65.05077	7.8
65.52955	8.5
65.92392	8.7
67.22760	8.5
78.27634	8.5
81.25195	10.4
88.37152	10.7
91.71043	10.0
107.10766	9.1
127.12657	11.1
137.05969	11.1
232.42973	13.0
272.09579	13.1
306.78378	10.4
309.87970	11.7
324.51019	12.1
325.62036	11.7
461.33932	13.2
497.14114	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01317	2.4
71.66971	3.2
88.32566	3.0
91.71137	4.2
102.30869	3.3
116.10989	2.8
140.74945	3.2
174.46518	3.3
200.13951	3.5
202.05876	3.8
217.81050	3.8
265.11725	3.7
300.19513	4.5
336.14661	4.1
497.16220	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89203	2.4
58.90473	2.7
81.07027	7.7
93.89272	2.9
107.04910	6.5
109.06523	3.6
122.03626	6.8
125.25896	4.0
128.62926	4.3
137.05963	100.0
137.06950	6.5
149.05977	27.1
151.03873	7.5
151.07449	5.4
161.05962	6.4
175.67133	3.6
177.05449	36.6
197.05962	4.1
208.05142	5.3
223.07567	4.0
225.05519	6.6
234.07008	3.5
240.07715	8.3
251.07072	4.4
253.05067	5.7
268.07257	6.4
268.66745	3.7
277.08691	5.7
299.09222	4.3
311.09146	14.8
311.12650	4.0
329.10062	4.8
421.16568	6.9
433.16272	28.8
497.19296	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	497.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63450	3.4
57.07068	5.1
58.28719	3.9
66.51436	4.1
128.26451	4.3
137.06009	8.8
209.51572	5.1
221.05911	7.1
249.05493	5.1
279.22711	4.8
295.06018	27.5
295.09314	5.2
351.13916	6.8
355.42566	5.3
497.19669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75694	2.2
61.21450	2.4
81.07035	5.1
99.89646	3.0
137.05994	9.9
182.20401	3.3
192.91534	3.5
193.34439	3.0
194.07030	3.3
202.82440	2.8
245.93536	3.5
252.86647	3.3
271.06042	3.4
309.02560	3.8
312.81940	3.4
380.14056	3.2
433.08972	5.9
451.10059	5.7
479.09637	9.4
497.12473	6.0
497.19919	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72417	2.2
53.50015	2.7
54.17430	2.2
54.50110	2.6
56.64225	2.9
57.32430	2.5
62.36672	2.8
91.70932	3.0
104.79363	2.7
110.12139	3.7
131.49239	3.3
147.05223	3.5
159.22615	3.1
162.19139	3.6
171.45551	3.2
331.09979	23.4
348.66403	3.5
410.82495	4.3
452.53442	4.1
497.19910	100.0
498.20728	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	497.1994
Annotation	Trp Glu Tyr
Peak:m/z	Relative Intensity
58.80917	1.7
62.66079	2.1
81.07040	5.8
85.02885	2.7
91.71645	4.3
137.05968	3.6
137.13205	3.1
178.29512	2.5
252.12131	2.6
365.82211	3.0
458.47757	2.9
497.19888	100.0
498.20581	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	497.2144
Annotation	(-)-Trichodimerol
Peak:m/z	Relative Intensity
52.39302	2.3
69.08022	2.5
75.83415	2.5
80.02780	3.0
88.90641	2.9
100.72003	2.9
124.83785	3.1
124.84724	3.8
170.99294	3.2
497.21448	100.0
517.42505	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	497.2896
Annotation	Ardisenone
Peak:m/z	Relative Intensity
53.03912	20.6
55.05499	23.5
57.07064	100.0
67.05492	44.9
81.03425	19.6
81.07050	47.5
85.15137	20.1
91.05463	30.5
91.17850	18.0
93.07021	33.5
104.10766	25.9
107.08580	23.7
132.71199	21.3
136.42642	20.9
136.97087	21.3
184.07300	23.1
189.12653	23.3
231.13773	88.1
235.64690	22.5
249.14729	40.5
260.64301	25.9
373.72598	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	497.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34412	12.8
51.74825	13.4
51.86069	11.8
56.88314	13.8
57.07065	100.0
67.05489	30.7
71.08604	18.4
81.07039	45.8
85.06521	34.8
88.86344	16.4
89.06028	32.4
91.05455	45.6
91.71024	16.4
91.75530	13.5
95.04412	15.9
95.04984	31.3
105.07042	21.3
105.15858	15.1
113.23366	17.9
117.06974	39.8
125.75040	15.0
129.06999	26.9
131.08591	30.4
133.08594	29.4
137.09637	37.3
139.17014	16.8
145.06496	23.2
149.09647	15.9
163.11057	21.5
165.12714	22.5
175.11302	17.4
191.81451	18.3
201.12671	26.8
219.13809	20.6
229.12222	83.5
231.13872	18.3
233.15414	51.4
239.46455	15.9
247.13246	36.5
314.33945	21.7
390.74814	17.6
497.27969	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	497.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.7
55.05493	10.2
57.07063	74.8
58.65667	8.1
59.04998	11.5
59.49448	8.5
60.35922	11.1
67.05489	26.8
79.05506	14.1
81.03404	22.8
81.07069	26.8
83.04960	13.2
83.08596	11.1
85.06522	29.1
91.05473	100.0
93.07044	23.7
95.04972	31.6
99.66127	9.4
105.07027	29.3
109.06496	21.4
109.10096	13.7
117.07048	16.1
119.04884	16.5
119.08563	12.7
129.07034	16.4
131.08597	37.4
135.04344	13.5
137.09642	55.0
143.08586	13.4
147.08121	13.9
153.09021	12.2
155.08614	15.5
159.03348	10.4
159.08043	18.3
163.07549	22.8
175.11188	16.8
187.11230	47.0
189.12779	22.3
205.18027	10.0
215.14302	87.2
221.55171	11.1
231.13844	30.5
233.15338	18.5
247.13322	13.2
249.44652	11.8
263.12817	12.0
266.38000	11.1
285.61191	11.8
511.08725	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2897
Annotation	Caruifolin D
Peak:m/z	Relative Intensity
53.03932	42.5
55.01847	10.7
57.07067	77.8
66.35095	8.1
67.05482	29.5
67.20306	7.6
67.55015	8.2
69.07050	13.7
69.11098	8.4
71.01379	9.5
79.05467	15.9
79.61441	8.5
81.03412	36.5
81.07041	27.5
85.06535	29.9
87.40838	9.2
91.05472	43.7
95.04970	50.9
95.08598	12.3
105.03388	14.7
105.07008	24.2
107.04986	8.5
109.06445	12.0
115.05418	13.9
117.07034	60.1
121.30685	10.0
123.04449	22.5
128.06244	10.9
129.07056	13.5
131.08551	20.1
133.06477	23.2
135.08035	12.1
137.09618	43.5
141.06989	13.8
145.06508	46.7
151.07486	12.3
179.10791	12.9
189.12878	13.5
191.14331	17.8
201.12744	62.5
219.13834	31.1
229.12288	44.5
231.13683	14.9
233.15390	30.0
247.13284	100.0
261.44739	10.1
420.94666	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	497.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	8.7
55.05496	20.0
57.03430	24.1
57.07025	8.2
61.02910	31.6
66.52273	7.4
67.05500	100.0
69.03417	43.4
69.07050	25.5
70.16541	6.7
73.02896	22.1
73.31670	5.9
79.05473	36.3
80.21090	6.9
81.03411	20.8
81.07049	94.1
83.04958	7.9
83.08620	11.1
84.13489	7.1
85.02901	53.6
91.03956	24.7
91.05476	42.8
93.07040	65.6
95.04980	8.6
95.08605	73.0
97.02889	46.8
97.10214	7.4
99.04433	15.7
101.02397	12.3
103.03935	8.6
103.50294	7.2
105.07039	28.5
107.08576	38.0
109.02863	8.5
109.10181	30.9
117.07002	14.5
119.08586	17.9
121.10135	25.0
122.17503	7.0
123.11745	11.2
129.05450	8.3
129.06996	9.5
130.79837	6.9
131.08566	16.7
133.10156	19.8
135.11700	22.7
145.10123	14.4
147.11650	14.4
149.13235	9.0
173.13283	11.4
261.22086	15.0
335.25693	39.6
375.08826	8.9
497.30713	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	497.326
Annotation	Secaubryolide
Peak:m/z	Relative Intensity
55.05504	11.7
55.52444	2.1
67.05495	43.8
69.07060	6.4
71.04986	2.2
79.05480	10.8
81.07047	49.9
83.04949	2.6
83.08607	5.5
85.06535	3.7
89.85258	2.2
91.05467	36.1
93.07032	23.3
95.04982	4.3
95.08597	42.3
97.06551	3.1
105.06995	12.8
107.08594	15.1
107.12413	2.2
109.06583	3.4
109.10149	16.6
111.08037	4.5
117.07085	2.4
119.04935	30.0
119.08588	13.9
121.10120	14.0
123.08051	4.1
123.11737	5.2
131.08513	5.6
133.10143	8.5
135.11719	9.9
137.09613	2.4
145.10121	6.2
147.04405	100.0
147.11690	8.6
149.13240	6.7
159.11697	5.6
161.13251	5.2
163.14786	3.5
165.05452	4.3
187.14861	3.4
201.73509	2.5
227.17775	2.4
240.82281	2.9
297.25842	4.0
315.26804	15.4
333.28085	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	497.326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	14.4
60.50648	4.0
67.05500	63.1
69.07066	7.8
79.05505	14.8
81.07048	67.7
82.65984	4.4
83.08619	8.8
85.06525	4.6
88.54420	4.7
89.06033	5.6
90.74786	4.8
91.05464	27.8
93.07029	18.6
95.08611	66.9
98.35008	4.4
99.08037	4.5
105.07017	25.5
106.28587	4.4
107.08594	20.6
109.10146	26.5
111.08064	6.3
119.04936	18.5
119.08584	25.6
121.10165	27.8
123.08086	7.8
123.11658	7.1
124.42983	5.0
129.70131	4.6
131.08560	6.9
133.10110	15.2
135.11707	11.2
141.67137	4.9
145.10106	9.2
147.04402	100.0
147.11665	11.7
149.13303	11.2
159.11690	7.6
161.13301	6.4
165.05388	8.6
170.36995	4.8
224.66457	4.5
245.94284	5.4
271.46704	4.9
277.08585	5.3
278.19983	6.0
294.42157	5.5
315.26898	24.2
333.27737	13.1
335.14914	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	498.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46101	2.0
70.06549	2.9
92.16853	2.2
99.24558	2.4
139.03880	4.1
153.21889	2.7
157.45749	2.9
161.41762	2.5
183.79683	2.9
195.11664	2.7
226.06915	10.2
297.17441	3.1
298.08942	37.0
323.12106	23.6
326.96390	3.1
351.11685	5.0
369.12628	27.6
485.45261	3.0
498.16870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43036	0.5
70.87705	0.5
71.75744	0.5
81.07055	1.0
90.05547	100.0
149.58318	0.7
280.35110	0.6
371.17596	0.7
375.93045	0.7
378.03900	0.8
524.87451	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18062	2.1
53.43654	2.2
56.96305	4.5
56.96560	70.0
60.04505	3.2
67.05483	9.8
79.05451	4.1
80.70236	2.6
81.03417	2.4
81.07067	6.5
84.96019	3.2
85.02902	4.8
90.05544	8.7
97.99168	6.3
98.97584	27.4
104.42142	2.5
106.78365	2.8
116.00185	2.5
116.98623	11.2
129.02223	3.6
134.99695	5.9
139.00687	3.0
139.01744	3.1
140.00168	24.3
146.71216	2.7
146.99687	3.5
147.04413	4.2
148.04688	3.5
155.00096	5.0
158.01254	10.2
170.04907	3.6
172.00371	2.8
173.01219	11.4
180.03362	4.7
181.02840	10.8
191.02309	9.7
196.02788	22.5
200.02423	8.3
214.03940	10.1
237.05505	11.9
237.68556	3.0
253.11090	6.4
258.11786	3.2
274.14636	3.6
276.12650	3.4
277.11194	10.9
292.15869	3.0
295.12106	23.2
300.12845	4.2
313.13232	7.1
318.13760	63.9
336.14886	13.5
359.16507	17.2
364.20847	2.9
378.15860	3.8
457.17410	49.2
475.18481	24.7
498.20108	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	79.3
57.56771	2.7
61.39069	3.2
66.95265	3.0
72.83253	3.2
85.06537	28.0
89.06047	9.2
91.05491	3.0
97.02910	5.0
102.11113	2.9
105.07069	3.7
109.06551	14.5
112.73857	2.9
113.67424	3.0
131.08575	4.7
133.08568	5.7
145.06516	4.6
175.77928	3.6
191.76596	3.1
216.44884	3.4
229.12364	5.3
259.41302	3.9
289.14389	23.7
332.50540	3.8
356.62970	3.8
357.74115	3.9
373.20071	100.0
409.26871	4.0
424.42950	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	498.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38818	1.9
51.70163	1.6
53.03936	3.8
55.01849	2.2
55.05494	2.3
57.07070	26.2
57.34444	1.6
60.77621	2.0
61.34309	2.1
69.86962	1.9
71.08629	3.3
79.05468	2.6
81.05077	2.1
81.07056	4.1
81.31011	1.8
85.06535	12.9
89.06026	3.0
91.05464	33.8
91.71580	3.7
93.07032	100.0
95.04960	23.4
95.08601	2.6
103.87170	2.2
105.04492	3.4
105.07043	6.5
107.00512	2.5
114.58654	2.5
114.97884	2.2
117.06998	4.6
119.08543	3.4
119.34705	2.1
125.09569	3.0
131.08557	6.0
131.88339	2.3
137.09651	9.0
143.08546	4.4
145.10121	6.4
202.62987	2.3
215.14256	2.7
227.14236	14.6
325.21805	5.2
343.20386	3.1
361.21628	4.8
371.22095	4.7
374.47540	2.4
444.57178	2.4
445.27124	6.3
450.32758	2.3
463.28403	23.8
469.16370	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	498.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.5
57.03420	7.5
58.06595	49.1
59.07374	16.0
60.08160	16.3
60.23123	2.1
65.61089	2.3
67.05489	10.8
69.07056	4.2
71.83869	2.2
75.04485	4.4
79.05476	2.1
79.28661	2.0
81.07041	8.7
85.02863	2.4
87.04458	6.1
89.59492	2.1
95.08592	6.2
118.84969	2.5
131.52342	2.2
140.07430	2.3
144.10205	8.5
162.11224	3.3
162.95053	2.9
184.07312	2.9
185.07440	2.2
211.80820	2.5
217.37880	2.4
231.99567	2.8
236.14912	100.0
236.17255	5.4
480.26062	3.7
480.36798	14.4
498.37851	55.7
499.25183	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	498.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38281	2.8
55.27741	3.2
55.93966	3.2
56.57145	2.7
57.06838	3.5
57.07067	45.4
59.18612	2.8
69.24568	2.9
71.08619	27.4
73.06526	6.9
74.25125	3.3
77.02381	2.9
84.18060	3.5
85.10165	19.1
87.04475	5.3
89.06017	100.0
89.06538	6.8
130.08618	10.7
133.08614	42.8
152.62854	3.5
155.68442	3.5
170.78590	3.4
177.11218	18.3
193.55489	4.1
243.23170	5.8
287.25778	6.9
327.20212	8.5
340.29996	4.1
481.37555	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	499.0016
Annotation	Unknow
Peak:m/z	Relative Intensity
66.14069	1.7
79.75606	1.7
86.59780	1.9
91.34564	1.9
91.71671	2.6
92.16759	2.2
165.66888	2.4
167.79185	2.6
176.93602	3.7
201.41840	2.1
245.05106	2.3
268.95270	4.9
268.98212	100.0
311.41696	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74527	9.1
58.48650	9.0
58.87838	8.8
61.41409	7.9
62.27376	9.6
67.79674	10.5
75.99252	9.0
94.15659	9.2
102.61314	10.1
119.01901	31.1
124.02494	13.6
131.01930	13.4
142.03488	22.1
143.01930	22.6
145.03465	29.2
155.01904	27.3
156.05061	13.9
157.03468	15.4
161.02997	17.9
164.90645	11.4
165.05075	26.3
168.05124	22.6
173.02985	34.8
175.04427	16.0
180.05038	16.7
184.04562	30.9
185.02972	33.3
196.04594	51.8
197.02960	16.6
208.04541	40.5
217.01923	30.7
220.04515	11.4
234.79730	14.7
238.05597	21.0
245.05096	100.0
258.04578	46.8
277.04019	34.3
286.07806	22.8
305.07251	15.9
318.10770	13.8
319.05215	18.5
337.06345	26.3
359.12717	11.9
408.78760	12.2
435.48685	13.2
439.12585	19.5
499.11844	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	499.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04358	4.7
62.22218	4.4
71.94275	5.2
73.95258	4.7
76.33354	6.6
82.20641	4.8
86.38171	5.9
91.71629	6.0
95.04947	5.8
102.25411	4.9
107.04932	9.8
109.43596	5.6
110.29041	5.6
137.05978	13.7
141.05518	7.6
151.03915	100.0
151.05051	12.2
223.69048	5.9
232.36095	5.8
251.38814	7.4
258.27133	6.6
288.29181	7.2
499.21060	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	499.2148
Annotation	Val Glu His Asp
Peak:m/z	Relative Intensity
63.74174	2.0
75.75933	2.4
79.42885	2.1
92.76515	2.4
105.59561	2.6
128.78398	2.4
180.23819	2.7
191.17061	2.4
257.41327	2.6
267.12091	2.5
331.09964	27.1
479.93951	2.8
499.21451	100.0
521.15790	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	499.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80650	4.6
55.05503	5.6
57.07066	35.4
60.50395	4.8
65.56643	5.0
67.05505	11.5
69.03384	8.0
71.08571	4.8
79.05495	6.1
81.03398	10.1
81.07044	33.6
85.02904	12.7
85.06540	25.2
90.05554	9.0
95.08595	13.8
98.14404	5.7
103.69838	5.7
109.06525	12.7
121.06557	8.4
125.09607	6.3
127.03887	7.5
127.89469	5.0
131.08546	12.8
137.09612	15.9
149.09671	15.5
151.07533	13.5
205.15869	12.4
213.43349	6.2
215.14426	7.5
233.15260	31.2
251.16373	100.0
298.20532	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	499.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
65.12296	20.7
71.30050	20.6
80.79849	19.9
81.07061	22.9
91.38465	21.5
99.43610	20.1
115.44707	22.1
135.11678	23.8
169.88193	26.4
174.28812	23.2
264.92212	22.4
499.24597	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2689
Annotation	12,13-Deoxyroridin E
Peak:m/z	Relative Intensity
53.03939	17.6
56.96852	11.4
57.06849	8.2
57.07074	100.0
64.57276	8.8
67.05493	17.4
67.16172	8.2
69.01547	10.1
77.40788	8.5
77.56801	8.4
79.05482	16.0
81.03401	15.5
81.07053	15.0
83.04967	15.7
85.06544	21.8
87.48109	9.5
91.05480	25.5
95.04948	18.1
105.07031	27.9
107.04967	12.7
117.07008	16.6
128.92726	9.3
133.06519	18.8
151.07573	10.3
163.11237	18.6
189.12764	41.4
192.09392	9.1
204.12579	12.1
217.12263	22.8
229.12329	12.3
241.12392	10.8
275.13068	14.0
291.78683	11.6
390.35367	12.3
463.24689	50.6
481.25635	21.4
521.36450	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	499.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43119	9.4
57.07072	100.0
60.28303	9.8
67.05498	17.3
69.07047	15.4
69.26565	13.3
77.56982	10.7
79.05473	16.5
81.07058	24.1
85.06536	16.7
91.05475	28.5
93.07027	29.5
95.04988	16.6
105.04820	12.5
105.07019	21.2
109.23346	11.4
116.66357	10.9
129.07053	23.8
131.08514	18.7
137.09659	26.1
143.08574	16.4
149.09665	16.2
151.07555	19.9
177.09129	47.9
185.05814	12.8
205.81972	13.8
224.13058	14.3
417.24255	17.7
463.24619	38.0
504.83444	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	499.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03749	4.5
53.03945	48.1
57.07061	18.6
63.92391	6.1
79.63772	6.2
81.03413	60.2
81.07040	9.6
85.69204	5.3
91.05469	7.3
95.04955	5.6
105.07045	10.0
105.43140	5.6
109.10151	6.9
121.95672	6.4
133.10753	5.8
137.09605	16.8
147.08017	12.6
160.89568	6.2
196.57758	6.1
203.14297	11.0
231.13776	100.0
233.15343	11.4
249.14906	13.1
251.16438	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	499.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68301	6.3
53.03931	7.9
53.36674	5.7
55.01872	6.2
55.05489	31.6
57.03420	29.4
57.07058	15.5
61.02921	56.9
63.82383	5.6
66.10415	6.2
67.05493	87.0
69.03419	55.9
69.07043	36.0
73.02892	21.4
79.05487	25.4
81.03392	21.8
81.07042	100.0
83.08617	27.1
85.02906	66.4
91.03924	22.1
91.05493	17.1
93.07038	31.8
95.08599	82.3
97.02859	43.1
97.06503	7.5
97.10159	18.3
99.04466	12.7
101.02357	7.7
101.35593	7.0
105.07008	16.1
107.08594	25.6
109.10139	24.4
117.07113	7.8
119.08591	12.5
121.10149	20.2
123.11681	15.3
127.03937	14.3
131.08685	7.1
133.10072	9.1
135.11748	10.0
149.13252	7.8
167.93054	7.2
215.14276	8.8
263.23804	16.4
270.15793	9.7
278.43268	8.3
337.27365	64.4
439.64447	8.7
462.73148	9.7
462.79086	8.9
499.32886	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	499.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66102	21.7
55.05502	35.0
57.03426	49.8
57.07062	65.5
61.02911	62.3
67.05495	93.7
69.03424	48.4
69.07050	41.4
71.08620	45.7
79.05479	26.8
81.07045	100.0
83.08634	34.5
85.02888	81.6
91.03957	48.1
91.05461	53.5
93.07015	49.9
95.08600	84.0
97.02894	80.1
98.45586	21.7
99.04391	25.2
104.60909	24.2
105.07069	28.8
109.10122	28.2
119.08557	45.4
129.05501	26.8
168.27373	25.5
232.55499	25.2
304.06470	30.2
337.27576	39.2
338.04303	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	499.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.3
55.01857	5.4
55.05495	23.2
55.69831	4.8
56.05035	4.1
57.03144	4.3
57.03416	21.1
57.07047	15.6
61.02694	4.0
61.02917	42.1
65.28452	4.8
67.05496	80.5
67.75737	5.0
69.03403	29.6
69.07060	30.0
71.05013	10.1
71.08609	7.5
73.02902	14.6
74.12592	4.1
76.18774	4.6
79.05470	21.9
81.03407	21.1
81.07047	100.0
83.04959	7.3
83.08597	14.6
85.02901	52.2
85.06536	6.1
89.05997	5.4
91.03935	32.2
91.05470	24.3
93.07032	27.5
95.04932	5.9
95.08595	70.8
97.02894	40.2
97.06531	5.6
97.10149	6.7
99.04456	9.1
101.02402	13.1
103.03957	7.0
105.07017	22.9
107.08590	9.0
109.02888	5.4
109.10168	28.8
117.06993	8.2
119.08575	14.4
121.10149	14.0
123.11685	10.0
127.03934	19.7
131.08543	10.7
133.10164	8.2
133.27795	5.2
135.11722	8.3
145.04962	5.4
147.07951	11.4
147.11624	11.2
161.13191	9.0
163.14798	7.4
183.60947	5.4
245.22818	6.1
263.23715	9.2
283.09470	9.5
337.27420	50.2
447.04697	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	500.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49192	1.9
53.26705	1.7
57.07113	1.7
69.03418	3.7
72.26167	2.2
79.89682	1.7
80.77851	1.8
85.02930	8.0
97.02897	3.3
121.06522	2.8
137.05971	11.9
143.64816	2.0
144.96373	1.9
145.67166	1.9
148.05244	6.0
162.72215	2.0
184.05209	2.4
199.07477	10.3
215.07094	2.6
216.07881	2.8
225.26572	2.5
243.06625	3.2
257.04581	3.3
271.05984	2.3
279.24054	2.5
297.59464	2.4
303.08578	100.0
316.76016	2.3
403.95593	2.6
420.91095	2.6
453.40714	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	500.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52320	2.5
69.91961	2.6
77.65078	2.6
85.02919	4.8
95.04967	3.1
95.52624	2.9
97.47707	2.8
101.91756	2.7
121.06590	3.3
122.58209	2.8
135.34325	2.8
137.06036	10.6
139.79958	2.9
148.05254	6.8
171.08115	3.0
199.07626	10.6
226.76492	3.2
234.78566	3.8
257.04453	5.7
271.06110	5.3
303.08588	100.0
303.11932	5.1
450.29205	4.2
458.14188	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	500.1914
Annotation	Chrotacumine C
Peak:m/z	Relative Intensity
50.54331	7.2
70.06573	10.2
70.57027	8.6
83.04979	29.8
106.04187	9.5
111.04444	25.7
137.05971	14.4
147.04408	30.5
167.06999	11.8
177.05432	19.9
191.07047	28.2
192.07877	32.7
217.54565	9.5
262.10690	35.7
277.31812	9.7
295.09476	11.3
367.11636	12.4
500.19257	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14620	2.7
58.20919	2.9
59.74083	3.0
60.69448	3.1
68.02626	13.7
70.06580	14.7
78.04713	4.7
79.05484	3.7
83.04965	29.8
83.99102	2.7
85.02932	3.2
91.05458	7.9
93.07037	5.1
95.05011	3.4
103.05431	3.5
105.06989	2.9
106.04178	8.8
106.06555	4.0
107.04957	3.3
108.08134	4.4
111.04428	37.3
111.82336	2.8
121.06515	6.6
131.04939	6.8
132.02119	4.9
132.05659	6.0
133.06465	5.3
137.05899	3.5
141.52803	3.4
147.04417	35.1
147.36830	3.9
149.05983	11.5
160.05139	3.9
162.03087	3.8
165.05405	4.2
167.07030	9.8
175.03842	7.1
177.05429	19.7
179.07082	3.8
180.07756	4.1
182.09457	4.8
184.07545	5.2
189.05508	5.5
191.07034	17.1
192.07787	24.9
201.74864	3.5
202.08530	3.5
209.08112	6.1
210.08891	3.4
216.10210	10.0
218.11722	3.4
227.48279	3.2
235.07494	4.6
262.10660	31.4
290.10135	6.9
295.09470	7.5
309.19278	3.3
367.11856	6.7
385.12656	5.7
422.41507	3.3
500.19116	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06035	12.8
56.96561	100.0
64.80251	10.8
90.22784	13.5
95.03619	12.5
97.99201	13.9
107.60632	14.3
128.04135	12.5
139.01816	22.4
148.82021	12.3
172.54347	13.0
323.41013	14.5
382.78772	15.0
391.18167	20.6
396.18704	29.9
414.19650	28.9
419.19974	19.8
437.21365	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	500.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71223	1.1
72.65319	1.0
99.24607	1.0
112.51592	1.2
122.03658	3.3
123.87652	1.3
128.64400	1.1
137.05968	100.0
138.06371	1.6
140.01764	1.1
143.80829	1.1
149.33105	1.2
179.06973	1.4
213.09169	1.9
273.11163	2.6
303.12201	1.7
371.12808	1.4
482.46262	1.3
492.52197	1.5
500.17200	6.2
521.69482	1.3
523.53992	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	500.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43319	1.9
51.97925	1.5
53.03949	2.0
57.07067	68.2
60.68517	2.0
68.04042	2.2
70.48148	1.9
73.43978	2.2
75.19120	2.0
83.58121	2.5
85.06531	34.7
91.05463	16.9
91.71652	4.2
93.07034	49.8
95.05003	7.8
97.02896	5.9
104.10728	2.7
104.26055	2.4
119.04962	2.3
123.04470	2.5
124.84675	2.2
131.08598	6.1
145.06522	4.0
147.08095	2.6
157.10162	7.4
159.07997	13.4
176.79338	2.8
177.09169	3.7
205.08687	4.9
229.12331	4.0
247.13443	4.3
259.16922	15.8
289.14310	22.4
313.18079	2.6
373.20071	100.0
417.51904	2.6
447.25491	6.7
465.26270	3.2
475.32751	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	500.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15683	3.1
54.50937	2.2
57.06798	5.8
57.07069	75.1
73.08725	2.5
74.07877	2.4
80.38322	2.8
81.07051	3.7
81.95016	2.6
85.06531	28.2
91.05469	14.5
93.07039	45.8
95.04967	8.6
97.02887	5.5
105.07050	4.3
122.26727	3.3
145.10110	5.0
157.10129	5.2
159.08060	9.5
161.06058	3.0
177.09341	3.7
203.07127	3.1
204.07690	3.2
205.08583	5.2
229.12199	4.5
259.16937	11.3
289.14224	22.7
305.17389	5.2
313.18066	4.0
373.20071	100.0
450.17206	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	500.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	9.0
55.05489	7.9
57.07060	40.2
67.05489	24.1
69.07059	8.2
79.05501	9.6
81.07027	20.3
85.06517	16.2
85.49751	5.5
91.05483	12.2
93.07035	27.5
95.04972	16.5
105.07024	23.6
107.08598	12.4
108.29303	5.7
109.06480	6.5
109.10187	25.2
117.07029	12.1
119.08578	18.6
121.06522	8.3
121.10117	6.1
131.08575	17.4
133.10178	7.4
135.11708	15.5
141.24707	5.7
142.07849	7.5
143.08551	13.0
145.10153	20.2
145.75011	5.9
147.08073	8.0
147.11717	12.0
152.10788	5.2
157.10138	23.3
159.11703	19.2
160.36020	6.4
171.31006	5.8
173.13306	14.6
185.09714	16.9
200.35992	6.9
201.12743	11.7
201.16359	32.6
219.17401	8.3
241.15930	20.1
248.87523	6.1
259.16989	12.4
269.15411	26.3
287.16418	26.8
305.17422	100.0
331.18997	42.6
373.19955	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	500.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.8
55.05495	18.0
57.07069	89.6
59.93962	5.7
60.43953	5.1
67.05490	26.1
69.03424	9.6
69.07056	11.2
79.05481	15.1
80.54099	5.1
81.03410	6.0
81.07052	28.1
83.04965	38.1
83.08603	28.2
84.39082	5.8
85.06543	42.7
91.05473	35.4
93.07046	78.2
95.04963	19.4
95.08610	23.3
97.51932	6.0
105.07002	36.6
107.04948	13.4
107.08592	17.0
109.06528	7.6
109.10159	69.5
117.06994	13.3
119.08572	76.6
121.06506	8.1
121.10163	7.9
128.06204	7.3
131.08551	31.3
133.06523	6.4
133.10155	20.3
135.07974	7.7
135.11668	7.1
137.69470	6.0
141.32773	6.0
142.07759	7.3
143.08614	16.1
145.06500	6.8
145.10115	18.4
146.27307	6.9
147.08049	8.1
147.11795	6.4
151.07385	6.5
157.10132	10.8
159.08034	15.0
159.11725	11.8
161.09686	11.0
173.09592	7.9
177.09114	12.9
187.14845	9.8
189.12674	8.9
201.12794	9.8
201.16402	13.2
205.08710	7.7
219.13907	6.9
233.15358	43.7
245.15355	9.6
259.16953	13.9
273.18359	32.9
289.14264	34.1
331.19083	12.6
373.20105	100.0
447.29099	34.2
465.29959	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	500.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	21.2
54.28912	9.5
57.07064	34.9
67.05494	20.1
69.05727	10.4
69.07063	10.6
69.55434	10.8
78.01166	10.3
80.32890	11.9
81.07055	24.5
91.49418	10.5
93.07020	15.1
107.54647	10.7
109.10146	60.4
119.08565	25.6
135.11641	12.4
145.10147	22.9
184.54576	12.0
201.16402	13.9
203.79523	12.9
242.43219	12.9
331.18958	100.0
378.66263	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	500.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	6.8
57.03424	8.4
57.07059	6.7
58.06589	45.1
59.07371	14.6
59.24464	3.5
60.08142	11.6
67.05495	4.6
68.57391	3.0
75.04469	7.2
83.04961	4.4
87.04489	4.5
95.08595	5.1
97.10295	3.7
109.10200	5.5
131.08595	4.8
135.29381	3.6
144.10213	9.1
148.96852	3.5
162.11331	5.0
165.79555	3.7
194.34721	4.4
233.00420	4.3
236.14905	100.0
482.38235	14.7
500.39441	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	6.7
70.85169	5.3
73.18406	5.1
98.97557	6.9
104.82021	5.4
107.03833	5.5
116.98626	12.5
122.03613	13.2
134.99632	6.7
137.05974	100.0
140.00275	13.0
158.01283	12.4
181.02878	7.0
185.18510	6.5
219.10135	8.5
235.02751	6.0
269.66348	6.3
276.05383	20.2
307.62601	5.9
407.10556	13.0
422.12683	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	501.1574
Annotation	KN-93
Peak:m/z	Relative Intensity
54.30458	5.5
73.91698	6.2
77.29111	7.1
88.95210	7.9
102.18486	7.0
109.11951	6.6
137.05998	49.0
167.89136	6.8
188.46420	7.9
190.89676	7.7
274.11343	8.6
501.15735	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	14.1
55.01857	19.5
57.03428	7.2
61.02906	8.4
67.05494	12.0
69.03413	34.6
70.06583	71.2
71.04958	9.7
71.09893	5.5
72.08152	11.6
73.72029	5.8
79.05494	17.1
80.50723	5.7
81.03410	28.2
81.07068	12.0
83.04980	8.2
85.02900	100.0
86.09693	30.3
87.00813	15.7
91.05486	27.1
91.22141	6.1
91.44344	5.4
93.07034	98.1
95.04935	11.2
95.08594	35.9
97.02882	16.1
97.06597	7.8
99.04461	18.1
100.03396	5.6
105.01868	14.5
105.07044	15.5
107.08584	36.3
109.02894	22.9
109.10196	12.2
112.41900	6.2
117.07092	16.4
119.08578	31.1
127.03947	25.7
129.06989	14.8
129.93266	5.5
133.10139	53.6
135.08003	30.4
137.09625	13.2
143.08554	13.2
145.04924	9.2
149.99348	6.3
157.10123	16.3
159.02933	10.8
160.40855	6.2
166.05122	6.2
172.60970	9.0
185.12898	7.1
199.11282	8.9
213.12413	14.2
217.12306	24.2
233.84297	6.9
235.13255	32.5
253.14470	9.2
407.07544	7.9
414.16483	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	501.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98476	2.1
56.05024	5.8
70.06576	4.6
72.04494	2.3
74.06060	17.5
85.03957	3.0
91.05481	18.7
103.05473	7.2
109.11652	2.4
118.06542	52.1
119.04934	2.9
119.07307	3.3
120.08096	37.4
121.06533	2.8
130.06461	3.9
134.06073	3.4
135.06763	4.2
136.07619	4.3
146.03635	6.3
146.06007	100.0
147.04410	10.7
148.07574	3.9
150.05498	3.8
151.86615	2.4
163.08661	4.4
164.07123	3.7
174.05504	16.1
175.03928	6.4
182.11743	3.7
190.29341	2.5
192.06604	4.7
203.03394	5.9
209.09210	11.9
219.11234	3.3
221.91745	2.6
235.07019	4.4
246.03996	11.1
337.11877	3.5
354.14444	3.4
394.17715	7.5
422.13455	3.9
438.16489	6.8
448.14908	8.6
466.15958	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	501.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32499	1.9
53.17876	1.8
61.14566	1.8
66.81951	1.9
81.07053	5.6
111.89378	2.8
118.87721	2.7
180.95911	2.8
202.90965	2.2
203.68187	2.3
214.74112	2.8
305.08124	2.7
315.65771	2.5
365.10486	73.7
501.23010	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17176	1.6
55.25669	1.8
60.26365	1.6
66.19855	1.6
120.64630	2.0
180.59372	2.0
193.22757	2.3
282.24734	2.5
337.43008	2.6
355.17288	8.8
501.22998	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	99.4
58.39625	7.6
63.30356	9.1
65.26392	8.2
66.57004	7.9
67.05504	11.2
79.05497	15.0
81.07063	41.1
83.05019	14.3
85.06568	32.4
91.05486	14.8
93.07061	24.4
95.04950	23.9
95.08635	36.0
95.25465	8.5
105.07058	20.6
109.06527	15.6
119.08590	17.0
121.10150	13.9
135.04478	11.2
145.18268	11.0
168.81593	9.7
237.28854	10.4
241.15645	100.0
256.61014	11.8
274.98413	9.8
283.09457	38.7
304.59479	11.6
324.02292	11.5
346.06497	11.4
366.26227	10.2
408.26425	15.0
422.33987	14.1
435.25299	46.2
465.26706	20.5
483.27487	25.1
501.26187	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	501.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44633	7.1
57.07058	17.3
74.03217	7.9
85.07043	10.2
88.81174	7.6
105.07014	11.2
105.24293	8.6
109.10139	14.6
119.08588	15.3
120.06503	7.9
135.13176	10.2
185.45517	10.8
241.15579	99.1
283.09482	30.6
353.82230	10.3
409.93506	12.2
501.26047	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19930	20.3
55.39061	20.0
61.49664	18.1
63.45169	19.2
66.02440	20.3
66.31434	17.6
67.05492	67.4
67.87441	19.7
76.76934	18.1
79.05488	39.5
80.65019	18.6
81.07042	50.5
91.05502	27.0
91.71061	31.1
93.07020	34.9
95.08576	37.7
110.98375	22.5
150.77628	26.5
168.84857	21.8
271.20114	24.5
302.04727	24.6
501.26166	100.0
501.35709	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	501.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	15.5
57.07075	7.7
58.40041	9.6
65.15093	8.2
67.05514	20.8
79.05505	18.3
79.80945	9.8
80.26165	13.6
81.07065	25.8
91.71686	22.4
93.07079	25.2
95.08624	15.6
96.94348	12.4
101.96427	9.7
114.99746	10.9
121.10168	12.1
159.57111	11.1
271.28500	12.2
354.09927	12.0
401.16309	18.2
501.26276	100.0
501.35934	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54296	2.5
55.05495	4.8
56.96555	7.2
57.03425	7.6
60.47628	2.8
61.02913	3.5
65.62650	3.3
67.05495	25.7
69.07062	18.4
77.41903	3.2
79.05493	12.7
80.62685	3.5
81.07050	23.4
83.04990	4.3
91.05450	22.3
93.07046	27.1
95.04969	7.0
95.08588	14.0
97.06540	4.4
105.07036	25.4
107.04964	11.2
107.08582	17.6
109.06517	6.2
109.10139	5.9
112.21349	3.8
117.07018	8.1
119.08572	16.6
121.06538	8.7
121.10136	19.0
129.87424	3.9
131.08577	20.6
133.10112	8.9
135.08028	4.2
135.11699	8.4
143.08586	4.3
145.10121	27.6
147.08101	4.0
147.11674	4.2
149.09624	18.7
151.11227	6.1
159.11687	5.4
161.13246	4.8
163.11169	30.7
173.09627	4.2
179.10684	4.5
187.14780	7.5
201.13141	3.5
201.16383	12.4
205.12280	4.6
211.14836	4.2
219.17432	10.5
222.26669	3.7
229.15884	8.1
233.77164	4.0
247.16872	20.3
259.56860	3.8
265.18021	17.0
321.20581	100.0
339.21643	53.9
355.14996	4.1
458.22443	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	501.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43691	4.5
55.01855	5.3
55.05497	8.1
57.03416	6.0
61.22335	4.7
65.03886	4.3
67.05483	26.5
69.07046	18.3
70.06569	5.2
79.05478	21.0
81.07050	23.7
85.02883	8.2
91.05477	26.5
93.07044	28.4
95.04984	6.1
95.08598	12.5
105.07029	25.1
107.04936	7.7
107.08572	13.8
109.06464	6.9
109.10111	10.2
117.07018	13.3
119.08586	26.6
121.06503	10.5
121.10129	18.5
123.08001	9.1
123.99386	5.9
129.07010	7.1
131.08562	22.9
133.10143	16.3
135.08057	12.6
145.10123	35.4
147.19733	6.1
149.09602	23.9
151.11214	9.3
159.11665	10.7
163.11177	28.7
179.10687	9.9
187.11223	6.1
187.14920	7.1
201.16351	13.2
219.17517	14.9
229.15953	12.0
230.37544	7.3
240.43341	6.4
247.16888	24.5
261.04117	7.8
265.18045	16.7
321.20587	69.0
339.21652	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75607	5.3
55.01865	15.0
67.05490	21.5
69.07061	100.0
75.30342	5.8
79.05472	16.7
81.07052	25.6
91.05460	19.0
93.07034	24.4
95.04925	6.7
97.06531	22.4
105.07060	10.2
107.04957	16.6
107.08543	6.9
109.06555	15.5
117.07018	8.1
121.10147	19.9
131.08557	16.9
133.06464	10.6
133.10207	10.9
145.10178	10.7
149.09625	33.6
151.11150	8.9
156.71194	7.4
159.08109	7.7
171.10240	9.2
177.09172	7.9
178.22913	8.2
183.10156	24.0
228.57158	8.0
321.20584	80.1
336.25177	12.6
367.01257	8.1
390.02591	7.9
500.29858	29.7
501.30048	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78690	1.9
71.39777	2.3
74.11930	2.2
82.67296	2.7
87.94182	2.4
91.71129	3.4
108.30797	2.4
139.02031	2.5
180.13206	3.0
211.15248	3.3
321.21796	3.2
360.23868	3.3
501.28073	100.0
502.28714	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	501.2973
Annotation	Acremolide B
Peak:m/z	Relative Intensity
56.86555	2.8
60.55489	3.3
60.75435	3.3
66.48820	3.1
69.03901	3.4
75.70546	3.0
85.68688	3.1
204.17448	3.8
334.88327	4.4
360.78464	4.4
501.29831	100.0
501.37515	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	501.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39280	4.1
55.05478	4.8
57.07067	62.5
59.04961	6.9
61.66763	4.2
63.76571	5.1
66.03580	4.6
67.05480	20.7
69.26937	5.0
79.05476	14.5
81.07047	33.6
85.06520	14.8
91.05471	50.6
93.07047	32.5
95.04961	42.0
95.08591	9.6
105.07003	36.3
107.08594	7.6
109.10142	8.6
117.06951	13.3
119.04966	6.6
119.08591	7.8
125.23936	5.7
129.06996	12.9
129.64365	6.2
131.08559	32.6
133.10078	6.1
137.09622	100.0
141.06975	8.8
147.04349	5.9
147.07999	7.2
149.09598	6.6
151.11134	6.8
155.08571	7.1
157.10014	6.4
159.11694	6.5
189.12752	15.9
191.14278	5.4
197.05983	6.5
205.15826	7.2
215.14272	77.9
217.15912	17.2
233.15399	38.4
236.58325	5.5
251.16434	8.7
285.10989	22.4
433.65329	6.3
434.03308	7.5
465.30530	7.1
483.30566	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	501.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14313	3.2
53.00293	3.7
54.78263	3.4
55.01891	4.3
55.05499	21.0
57.03432	6.5
57.07057	5.3
67.05493	74.6
69.07056	18.3
71.04957	4.5
79.05481	61.6
81.07046	90.0
83.08617	14.2
85.06538	6.5
91.05486	42.3
93.07037	100.0
95.04941	21.2
95.08580	27.7
97.06524	9.7
105.07033	27.3
107.08607	26.2
109.10152	9.1
111.08147	5.1
117.07011	9.4
119.08556	9.7
121.10139	42.4
124.03718	4.4
126.18445	3.7
129.07053	5.0
131.08551	17.2
133.10149	17.4
135.11678	10.9
143.08492	4.3
145.10152	9.6
147.11621	4.9
149.13287	14.6
155.19861	4.5
159.11723	17.7
161.13327	4.8
173.13321	5.0
190.34085	4.5
195.13823	12.8
301.40720	5.5
307.47672	6.1
501.35770	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	24.6
57.03445	8.3
67.05499	96.1
67.05824	8.6
69.07068	18.5
79.05486	61.9
79.05861	6.1
81.07046	100.0
81.07470	8.0
83.08631	15.1
91.05463	48.8
93.07034	96.9
95.04986	16.9
95.08591	31.9
97.06550	15.0
97.10168	6.8
97.10844	5.2
105.07046	17.0
107.08591	32.7
109.10188	12.0
117.07015	12.8
119.08650	17.0
121.10136	38.7
123.11770	7.1
128.37886	5.5
131.08617	17.0
133.10121	15.7
133.33328	7.1
135.11714	12.6
143.08723	7.0
145.10124	8.8
149.13281	20.2
159.11761	14.5
163.28592	6.8
173.13345	10.1
217.75293	6.6
275.27750	6.8
367.58862	6.4
386.20309	6.6
425.46457	7.4
453.48199	6.9
501.35739	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	501.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69856	6.1
55.05491	17.9
57.03407	9.0
57.07067	10.1
67.05495	73.8
69.07040	18.3
72.49639	7.0
75.04586	9.0
79.05492	53.2
81.07048	68.7
82.72329	7.4
83.08587	13.2
91.05458	42.0
93.07038	52.9
95.04965	13.2
95.08573	41.9
105.07029	38.1
107.08598	26.3
109.10183	11.5
117.07019	20.4
119.08560	23.2
121.10149	35.7
121.69510	8.5
129.06993	9.1
131.08543	29.2
133.10149	20.5
135.11708	14.8
139.11247	10.1
143.08539	17.4
145.10104	21.5
147.11702	14.3
157.10127	8.8
159.11682	16.1
171.11664	10.4
183.11711	9.1
229.16231	9.1
299.92218	9.8
409.30911	12.4
501.35818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41315	5.0
53.86550	4.8
55.05497	26.6
56.75877	4.9
56.83154	4.9
57.03427	6.9
57.19602	5.2
67.05494	83.0
69.07057	33.5
70.27705	4.9
71.04979	6.2
72.99310	5.2
75.84431	6.6
77.28862	5.8
79.05486	83.2
81.07044	89.7
83.08609	21.0
91.05482	53.7
93.07034	100.0
95.04959	14.1
95.08592	45.4
97.06519	12.9
97.22842	6.7
99.08128	8.6
99.71117	6.7
105.07024	29.2
107.08586	43.0
109.10203	8.3
117.07024	14.4
119.08603	15.0
121.10165	61.3
130.19586	6.4
131.08578	12.2
133.10153	11.5
135.11687	15.5
145.10081	8.4
146.99020	7.9
149.13260	32.6
159.11719	20.8
183.11772	8.7
195.13840	12.1
246.26277	6.0
247.98845	7.1
393.82355	7.5
501.35715	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	501.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	11.9
55.05506	62.5
55.95410	11.9
57.03419	41.8
57.07070	84.1
67.05491	66.7
69.07065	61.3
71.08612	34.0
79.05478	27.7
79.95854	10.8
81.07042	98.6
83.08599	52.5
85.06555	13.1
85.10181	20.9
91.05489	22.8
93.07034	53.9
95.08601	100.0
97.06509	16.5
97.10149	45.7
107.08571	52.2
109.10136	54.7
111.21786	11.2
119.08575	17.5
121.10135	40.4
123.11674	18.5
134.64424	12.7
135.11710	34.1
147.10139	11.6
199.13335	12.6
199.52902	13.2
283.09241	15.3
335.29367	28.3
371.31540	59.2
409.33051	30.3
427.34015	36.4
483.36777	19.4
501.26202	19.9
501.37897	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	502.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30568	2.8
58.06590	3.2
60.08160	42.4
67.04230	16.3
68.05000	6.1
69.05795	3.9
70.06573	7.7
91.05463	3.6
95.04978	3.6
95.06070	4.9
95.51628	3.6
120.42760	3.1
125.01711	13.4
125.65540	3.3
126.02463	22.5
127.03254	58.3
150.02492	3.9
151.03265	13.7
163.03200	26.1
167.07025	17.6
177.04848	11.5
184.09073	12.3
185.09805	36.6
186.10643	7.5
205.07892	21.0
223.09044	15.8
282.16357	36.0
293.09515	12.9
321.09332	4.6
381.11139	16.8
398.17493	18.0
458.19519	100.0
459.19681	4.7
502.18790	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	502.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48795	2.4
55.01861	5.2
55.05494	9.2
57.03417	10.2
67.05170	5.6
67.05496	61.2
69.07061	8.3
74.96427	3.1
79.05475	22.3
81.07052	42.2
83.08628	4.8
91.05463	26.4
93.07033	36.0
95.04958	4.3
95.08591	31.3
97.06517	8.2
105.07011	13.7
107.08587	13.2
109.10151	13.6
117.06993	4.1
118.53173	3.5
119.08591	14.7
121.10151	13.7
123.11655	3.6
129.05473	12.0
131.08537	5.8
132.10214	9.2
133.10139	12.7
135.11697	9.5
145.10088	7.8
147.11723	6.6
203.17970	4.4
242.36606	3.4
259.65649	3.9
330.28027	4.6
361.27347	100.0
474.21216	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	502.2927
Annotation	LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)
Peak:m/z	Relative Intensity
57.03406	10.0
58.21848	7.0
61.88151	7.9
62.06067	28.8
64.59135	7.9
67.05492	44.1
69.07066	14.0
69.23540	7.3
75.08198	6.0
77.94764	7.6
78.72324	7.4
79.05470	26.9
81.07041	33.0
91.05482	19.2
93.07050	23.3
95.08605	24.3
98.06036	10.3
100.86095	7.1
105.07017	24.5
107.08546	9.0
109.10120	9.7
117.07084	10.8
121.10134	12.0
129.05415	17.0
131.08633	11.1
132.10170	17.8
294.22177	9.4
361.27350	100.0
435.86359	9.9
464.03171	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	502.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36459	3.7
61.96740	3.9
71.51010	4.1
73.99998	4.1
74.70641	4.3
75.28551	4.5
91.44749	4.7
107.13169	5.6
128.08287	5.0
220.21234	6.1
240.56865	5.2
246.54477	4.7
246.59976	5.9
282.59061	5.5
338.26563	15.2
369.27365	5.3
392.47095	6.1
502.31366	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49231	3.4
66.23876	3.9
70.06589	9.2
70.83110	3.8
85.02871	3.3
100.69318	3.6
120.80116	4.3
146.62637	4.8
212.48926	4.8
256.66074	5.0
410.06866	5.4
491.70108	4.8
503.07962	11.7
503.15057	100.0
503.22256	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	503.1888
Annotation	Syringylresinol diacetate
Peak:m/z	Relative Intensity
63.61905	2.4
63.94595	2.0
92.46898	2.1
104.21169	2.4
112.63552	2.4
148.96678	2.2
160.11642	2.3
162.41826	2.3
168.85991	2.7
176.20451	2.4
192.09619	2.7
377.23419	3.0
503.18811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.8
61.02930	3.4
66.62450	2.3
69.03442	11.0
77.71664	2.4
81.03433	4.9
85.02895	35.2
91.05496	3.1
96.43219	2.4
97.02909	9.8
103.62383	2.9
122.03692	5.0
127.03960	6.5
129.06993	4.0
137.05966	100.0
143.46236	2.9
151.07481	12.5
163.07637	4.7
174.06808	3.4
175.07547	8.1
187.07574	25.6
189.09187	10.0
201.09200	11.0
203.08594	4.6
217.08696	11.9
219.08105	4.4
231.08176	3.1
240.00615	3.1
247.07697	4.3
248.08476	7.4
259.07718	3.5
261.09021	2.9
263.10687	7.4
271.09753	3.1
275.75623	3.0
279.10184	4.6
291.10248	13.3
296.10562	4.4
311.12836	8.0
317.02377	2.9
323.12668	20.8
325.14502	4.3
341.13901	16.8
405.23380	2.8
416.14258	3.9
477.08249	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	503.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31782	0.8
51.41449	0.6
51.63800	0.7
55.01873	1.0
69.03437	2.4
69.52536	0.8
72.48892	0.7
77.03945	0.9
79.05510	1.2
81.03454	1.0
81.07024	1.1
83.65925	0.8
85.02903	4.5
86.09731	1.5
91.05490	4.7
91.70851	1.0
94.04204	2.8
97.02909	1.9
103.05481	1.9
105.07016	6.2
107.04953	1.3
109.06573	1.5
115.05493	3.3
119.08569	1.5
122.03636	7.9
128.06305	1.2
129.07033	1.7
132.05756	2.2
133.06541	4.0
137.05972	100.0
147.08041	2.7
147.67479	0.8
155.04980	1.5
157.06572	1.1
159.08096	3.0
160.05243	1.3
160.36252	0.8
161.05966	12.9
163.74113	0.9
171.08060	1.2
175.07535	21.3
179.07051	1.3
187.07491	9.1
189.09090	1.1
189.16597	1.0
190.07819	2.0
191.08521	6.6
196.84441	1.0
199.07518	5.3
202.07782	2.0
203.08516	4.4
208.08875	1.5
218.07277	2.1
219.08000	6.6
224.50166	1.0
231.08162	4.2
236.08290	1.8
247.07648	3.6
248.08337	2.5
249.74095	1.0
251.10657	10.3
259.07697	3.1
260.08435	1.7
261.08951	1.2
263.10834	2.5
264.07916	1.3
276.07959	1.8
277.08752	1.5
279.10129	7.8
291.10135	5.5
295.13324	1.3
296.10214	1.2
311.12741	19.2
323.12729	8.3
379.02994	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.2
55.01867	10.1
55.05515	7.7
56.05043	4.7
57.03439	9.2
67.05496	46.7
67.05778	3.7
69.03422	25.6
69.07072	8.1
70.06599	14.7
71.05009	13.5
72.08154	7.3
73.02908	6.2
73.55289	4.3
79.05509	9.3
81.03416	25.5
81.07073	20.5
84.04498	5.4
85.02900	77.7
85.06554	5.3
86.09701	26.3
87.00856	14.9
91.05505	17.9
93.07035	49.8
95.04996	9.2
95.08598	100.0
95.09149	7.4
97.02905	17.6
99.04489	17.8
105.01883	12.2
105.07050	11.6
107.08582	5.1
109.02913	21.0
109.10146	47.6
110.23528	4.4
117.07041	7.6
119.08562	33.2
121.06554	6.7
121.09367	4.4
121.10168	21.6
123.08144	6.0
127.03912	28.4
131.08575	8.8
135.11739	15.8
137.09674	21.2
139.11174	10.4
145.05003	6.2
145.10170	7.0
149.61722	4.9
157.10251	6.9
159.02921	8.2
159.11786	20.5
191.14297	5.7
201.12735	12.9
202.74286	4.8
217.56448	6.2
219.13770	34.8
237.14867	42.8
243.08727	5.8
255.15939	5.3
335.74954	5.1
375.38486	5.3
503.07986	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	11.3
55.01856	8.4
55.05491	14.2
55.23504	3.4
55.54721	4.2
57.03424	18.0
59.18010	3.7
61.02925	8.9
67.05495	78.1
69.03421	43.0
69.07048	19.7
71.04987	19.9
71.28696	3.6
73.02901	8.5
78.51255	5.2
79.05473	20.0
81.03415	46.7
81.07034	26.0
83.04973	6.1
85.02901	100.0
86.09708	10.0
87.00820	25.5
87.04485	5.8
90.04778	4.3
91.05466	13.1
93.07031	39.1
95.04973	14.1
95.08603	61.3
97.02887	24.5
99.04441	43.1
105.01875	14.3
105.07001	12.7
107.08622	7.5
109.02869	28.6
109.06528	5.3
109.10153	44.7
114.26774	4.8
114.97032	4.6
117.07011	8.5
119.08584	19.4
121.10137	23.1
123.11710	5.3
127.03893	40.6
129.01825	6.1
131.08592	13.4
131.27461	4.6
135.08058	8.2
135.11708	10.9
137.09616	49.8
139.11153	29.0
145.04982	17.8
145.09987	5.5
149.09676	7.2
153.12758	5.6
159.02922	18.2
159.11737	18.0
173.13362	7.9
191.14304	8.0
201.12683	8.7
219.13779	37.7
237.14851	53.8
255.15950	6.5
312.97183	5.1
332.14389	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	503.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	8.6
58.06590	9.1
58.51244	1.3
58.89738	1.3
60.08146	2.6
68.55714	1.2
69.03405	1.4
70.06573	2.9
72.08147	2.7
74.06070	50.3
84.04503	4.0
84.08117	5.2
86.09695	7.0
91.05461	10.6
91.71672	1.8
107.04954	4.3
119.04935	9.1
123.04437	3.6
126.02478	1.6
127.03219	2.0
128.11990	1.4
129.10252	2.3
136.07574	100.0
137.05959	2.5
137.07896	1.6
142.28664	1.4
147.04359	1.5
165.05472	9.1
174.09128	3.5
174.28574	1.6
178.93387	1.5
182.08127	19.6
193.09714	30.5
195.08994	1.9
202.08618	4.6
208.09769	1.6
221.09245	11.5
237.12367	1.7
265.11798	16.5
276.13434	2.2
283.12881	22.3
317.43729	1.8
322.13931	8.5
405.59106	2.1
428.18085	2.6
459.19965	5.2
485.20178	8.2
503.18124	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	503.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12426	3.6
56.96552	25.6
69.27315	3.6
70.06577	4.5
71.08646	4.4
72.41682	3.9
87.59457	3.5
88.72138	4.6
116.86469	3.8
120.16188	4.4
129.91481	4.4
130.17618	3.8
147.04404	5.3
183.59045	4.2
217.17268	4.1
234.23402	4.7
291.16373	11.0
309.17325	60.2
327.18497	22.1
332.19052	16.9
350.20020	100.0
410.21927	10.3
443.23251	18.1
490.63306	5.8
502.24860	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	503.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47317	5.6
56.06314	6.7
57.06602	7.8
57.07069	10.7
58.33251	5.9
144.09732	10.8
159.51080	8.8
238.17133	8.8
239.12718	9.6
265.66864	8.8
312.64130	9.0
390.68939	9.2
503.27664	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16384	1.8
51.76722	1.9
57.07058	6.4
59.80811	2.1
95.04919	2.5
101.64624	2.3
103.63147	2.1
121.06546	2.4
152.69637	2.2
247.11000	2.9
264.55841	2.3
419.14844	3.4
503.27533	100.0
503.33917	7.5
504.27405	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20254	6.1
56.52017	5.4
65.19226	6.2
69.79616	6.0
74.48264	5.4
89.66428	6.6
96.23271	6.8
121.06489	11.5
133.10115	8.0
152.10698	9.5
157.32845	7.7
250.79384	9.1
503.27505	100.0
503.33734	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	503.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48780	3.6
55.37161	3.9
57.07084	7.2
58.64465	4.8
65.82568	4.5
70.86015	5.6
85.10204	9.1
86.28684	5.0
89.06048	13.8
111.24800	5.1
124.24062	5.4
129.98161	4.7
140.68494	5.2
264.01611	6.0
503.27631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	100.0
79.05469	47.3
81.07047	51.1
86.88203	25.8
88.07103	26.3
91.05431	38.5
95.04928	35.3
102.61723	26.2
109.06487	39.6
130.54335	27.9
217.12305	38.1
222.54425	29.4
260.84534	31.6
364.30966	37.6
374.69666	32.1
407.02850	36.6
431.13571	38.3
485.29117	35.5
498.49704	39.2
498.56726	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30098	2.9
66.73383	4.0
67.96114	3.6
73.01540	4.0
78.09544	4.2
111.43987	4.2
117.36223	3.8
157.28893	4.3
162.75955	4.4
171.86591	4.7
197.25410	3.7
212.66974	4.9
503.27429	20.9
503.33588	100.0
510.64325	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	503.3341
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
54.03384	2.7
105.36710	2.9
114.92474	2.9
114.93336	3.3
117.45504	4.1
119.38995	3.0
157.06673	3.2
229.49745	4.0
233.99570	3.3
373.95947	4.1
464.98709	4.0
484.31689	4.0
503.33487	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3346
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
56.83402	2.1
57.07059	4.1
62.39064	2.0
79.05485	2.2
85.06535	2.7
91.05454	4.8
91.71606	3.0
104.13484	2.8
105.06940	2.7
107.08538	2.9
117.50737	2.6
133.10136	20.3
134.10512	6.7
137.87808	2.8
145.40886	3.0
149.09653	2.6
171.10184	3.2
208.96893	3.1
219.17433	2.7
257.32614	2.7
285.26672	3.2
503.27084	7.8
503.33472	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.355
Annotation	Unknow
Peak:m/z	Relative Intensity
83.84529	1.2
94.07412	1.3
143.72046	1.0
503.35498	100.0
504.35699	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	504.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05494	0.3
55.01851	1.3
56.26886	0.4
57.03418	2.2
59.04988	0.7
61.02889	0.5
69.03400	1.5
70.06576	1.0
71.01334	0.6
72.08136	1.5
73.02892	1.6
73.82294	0.4
78.03433	0.7
80.05006	3.9
84.08134	0.4
85.02880	1.9
86.09666	1.1
87.04435	1.3
91.05461	0.5
96.04488	0.8
97.02873	1.7
106.02911	7.0
106.07094	0.4
111.82722	0.5
115.03926	1.1
118.06545	0.7
119.06031	0.7
123.05544	100.0
124.03944	0.6
124.05869	0.6
133.04977	0.9
136.06178	26.3
146.06018	0.8
174.05487	1.2
178.07227	0.6
192.06485	0.7
194.08128	0.7
202.04993	2.4
212.09067	0.7
219.07635	0.9
220.06023	2.6
225.60391	0.4
232.08281	0.8
237.08710	1.6
255.09686	2.6
299.82562	0.5
317.18909	0.5
326.12299	1.0
352.10233	0.6
355.11447	2.7
372.14313	2.0
487.15652	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	9.2
57.03436	13.4
59.15730	1.9
61.02919	2.6
69.03405	7.2
70.06574	2.9
71.01334	4.4
71.39137	2.0
72.08148	4.7
73.02892	5.3
73.28382	1.8
74.32555	1.7
80.05000	5.4
85.02914	13.1
86.09705	2.8
87.04465	2.3
95.14758	2.5
96.04456	2.3
97.02902	3.7
106.02908	12.4
108.04482	2.8
110.80800	2.3
115.03934	6.8
118.06558	3.5
123.05553	58.4
124.03935	4.7
133.04965	11.2
136.03973	20.3
136.05122	4.9
136.06186	100.0
146.06020	4.8
149.07120	2.6
150.05568	3.5
151.01488	2.7
156.04433	2.3
160.03952	3.2
162.05537	4.1
174.05531	6.3
177.06566	4.6
178.04997	29.5
178.07263	10.5
202.04996	4.8
220.06070	8.9
237.08705	6.7
255.09613	2.8
310.09277	4.3
319.09387	7.0
355.11502	32.8
487.15225	5.4
504.17950	2.7
505.16617	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	504.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00944	2.9
55.01860	4.1
55.05492	18.3
57.03419	6.5
57.07062	4.6
62.06076	83.2
64.99667	3.4
67.05492	55.5
69.07049	16.0
79.05485	28.8
81.06590	5.4
81.07042	44.5
83.08582	4.8
91.05470	15.5
92.42680	3.9
93.07047	26.6
95.08600	38.6
97.06520	12.4
98.06028	4.1
98.98461	22.9
99.26682	3.9
103.96628	4.3
105.06991	6.1
107.08598	20.0
109.10155	11.6
118.72806	4.6
119.08562	12.9
121.10134	20.2
123.11705	4.4
127.90842	3.9
129.05476	15.4
131.08531	9.3
133.10172	8.0
135.11693	11.1
145.10059	6.0
147.11629	5.4
149.13223	6.4
159.11684	7.1
161.13191	3.8
173.02013	6.5
181.34000	4.1
198.05190	5.7
205.19623	6.0
216.06374	5.0
232.82130	4.4
271.24274	6.0
289.25168	13.7
315.48572	4.6
332.29565	10.6
363.28909	100.0
486.30533	4.7
505.29199	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	504.3083
Annotation	LysoPE(0:0/20:3(5Z,8Z,11Z))
Peak:m/z	Relative Intensity
51.67125	2.7
54.62161	3.0
55.01872	6.0
55.05502	19.2
57.03421	13.7
64.02530	3.1
67.05489	61.1
68.40989	2.8
69.06788	2.7
69.07062	28.8
73.02891	4.2
76.46395	3.5
79.05481	24.8
81.07045	55.6
81.07491	6.0
83.08606	4.2
91.05488	16.1
93.07029	29.4
95.08596	38.7
97.06524	8.8
105.07023	9.1
107.08587	15.6
109.10159	9.8
117.07092	5.4
119.08586	5.9
121.10150	22.1
121.35622	4.0
122.36636	3.1
123.11749	3.7
129.05476	14.7
131.08524	6.9
133.10104	5.3
135.11713	5.5
145.10097	5.5
187.14806	4.3
200.71898	4.3
205.19464	4.8
271.24225	6.9
332.29404	6.2
363.28885	100.0
363.33237	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	504.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07587	9.4
55.05491	17.7
58.58132	10.9
67.05497	75.7
69.07064	15.6
72.82905	11.5
77.24881	11.7
78.39351	10.5
79.05486	53.8
80.59899	13.4
81.07043	96.3
85.06525	13.7
91.05478	40.2
93.07051	100.0
95.08604	50.2
99.08153	12.9
101.52327	12.4
104.48617	14.3
105.07003	24.4
107.08592	42.0
107.19009	15.3
109.10169	52.8
113.09524	14.7
119.08566	28.8
121.10097	67.9
122.06755	13.8
123.11725	18.5
131.08549	33.1
133.10146	27.3
135.11696	53.9
145.10143	20.2
149.13289	41.8
153.14577	15.5
159.11729	21.2
173.13213	14.3
185.24814	13.7
205.19804	20.2
215.17976	64.0
233.18863	69.2
307.22641	24.3
325.23669	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68549	1.3
52.25735	1.5
54.39368	1.5
55.05506	3.6
57.06841	2.1
57.07067	24.4
57.24282	1.6
67.05490	6.4
69.07051	6.8
70.92384	1.7
74.08357	1.6
79.05471	4.4
81.07047	15.1
85.06540	12.3
93.07041	17.3
95.04955	8.8
95.06967	1.7
95.08592	16.7
97.10149	3.1
105.07024	2.5
107.08582	13.9
109.10151	14.0
114.85239	1.8
117.07030	3.2
119.08612	2.0
121.10156	4.7
123.04419	5.2
123.11689	62.5
125.09618	3.0
129.10194	2.0
131.08574	2.7
135.08026	14.4
135.11687	28.9
145.06488	6.7
149.13237	36.5
159.07990	2.3
163.07515	5.1
165.09117	2.0
203.17923	2.2
205.19492	44.2
219.13773	100.0
220.14253	3.2
231.13858	2.4
247.13261	62.4
265.14197	3.1
267.13739	4.0
409.46375	2.0
433.31104	3.0
451.32025	7.1
504.23679	2.8
504.34067	4.6
505.29440	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71356	3.5
55.01875	5.0
56.91287	3.4
57.38957	3.5
79.39380	4.2
91.05479	8.4
95.04966	8.8
103.05459	5.2
107.04948	100.0
119.04933	7.3
121.02899	6.8
131.04968	15.0
133.06583	5.3
137.06021	24.2
147.36261	4.7
163.07545	4.9
175.07635	5.4
175.43933	4.1
195.07997	8.0
195.38794	4.5
203.07069	7.1
207.08209	5.3
219.07976	10.0
223.07608	10.4
231.08092	8.4
247.07541	10.5
255.10181	10.3
265.08585	5.5
267.10062	6.0
279.10172	10.2
291.10196	5.0
323.40201	5.0
337.10794	8.5
351.12387	12.2
365.11798	5.6
390.97610	5.3
397.14194	5.8
407.12787	8.7
425.13910	17.8
439.15234	11.1
445.16919	6.1
457.16315	25.6
469.16794	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	505.1857
Annotation	Interiorin D
Peak:m/z	Relative Intensity
55.01842	5.9
64.01852	6.2
95.04975	7.5
99.36301	7.5
107.04942	60.0
115.05453	7.7
121.02873	16.9
122.03688	7.1
131.04938	20.1
137.05952	100.0
143.04912	43.1
145.06482	19.0
151.03926	34.6
173.06081	8.6
181.06483	10.2
195.08160	12.1
205.08447	7.9
207.08090	13.0
255.10205	11.1
265.08459	11.7
267.10049	55.3
289.88074	7.8
297.11218	16.4
441.27115	9.2
475.17725	33.7
487.17685	18.6
505.18506	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	505.2217
Annotation	Artoindonesianin L
Peak:m/z	Relative Intensity
53.41460	2.9
54.67982	3.2
54.90392	3.0
57.06805	5.7
57.07069	100.0
57.07347	4.9
76.54144	3.4
83.01356	3.9
83.52129	3.0
85.06537	25.0
100.17007	3.3
101.05819	3.3
118.89555	3.4
124.48222	3.4
124.90118	3.1
125.28437	4.6
126.70809	4.2
152.54298	3.4
177.05403	4.8
201.05463	11.3
204.27979	4.1
241.14221	4.3
308.92844	4.3
309.28079	4.1
319.09766	7.8
335.09036	10.0
337.10672	15.9
337.14264	4.4
363.08939	5.4
403.15366	16.1
420.15616	6.0
421.16452	32.1
487.21216	5.9
505.22070	41.4
505.29144	80.6
523.30341	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	505.222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31145	0.8
54.41706	1.0
55.53321	1.0
66.20499	1.0
69.03435	1.3
70.06563	1.9
74.91230	1.1
81.03417	1.3
81.07071	1.2
85.02920	1.7
86.09687	1.8
89.58375	1.1
91.05476	3.5
94.04176	3.0
95.04990	2.1
103.05460	4.3
105.07052	2.2
107.04957	3.8
119.08598	1.4
122.03607	6.4
127.41674	1.2
131.04881	6.6
133.06528	2.4
135.08185	1.3
136.69885	1.1
137.05975	100.0
146.03618	2.1
147.04425	2.1
151.07520	9.5
161.06013	6.8
163.07541	10.1
175.07550	7.6
177.09126	1.8
177.77330	1.4
179.08556	1.3
187.07515	1.8
189.09233	1.6
201.08969	1.7
224.60164	1.4
287.05432	3.5
297.11270	3.0
299.12735	3.5
305.11954	1.5
315.33646	1.5
337.14392	5.2
363.16125	2.3
487.21014	3.2
505.22214	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	505.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	27.2
65.35785	12.8
67.05486	34.4
69.03409	23.2
69.07072	100.0
71.04993	14.4
75.34183	15.4
79.05466	15.6
80.75466	14.6
81.03438	21.0
81.07055	66.8
85.02885	58.2
85.78545	18.4
91.71097	16.5
93.07046	26.3
95.08588	44.4
97.02908	35.1
99.04459	19.9
105.07136	15.2
109.10186	20.4
111.11726	30.2
112.05322	15.9
117.83047	13.8
119.08568	16.9
121.57013	13.6
127.03924	24.5
128.92215	18.7
138.93948	13.1
139.11172	20.2
162.70880	17.8
166.56273	17.2
179.14197	17.7
224.73598	16.6
239.16388	21.2
386.78680	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	505.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	3.5
53.03936	5.3
55.01862	6.7
55.05498	21.8
56.96673	4.0
57.03415	6.7
67.05494	25.1
67.46779	4.7
69.03416	23.1
69.07060	100.0
70.53581	4.0
71.04977	17.3
73.02934	4.2
73.85471	4.5
75.53445	3.8
79.05456	6.2
81.03421	26.4
81.07050	43.6
83.04993	6.6
83.08607	7.5
85.02899	54.7
87.00816	13.3
93.07060	18.9
95.08611	21.1
96.92267	4.9
97.02895	23.3
97.06568	5.9
99.04456	20.3
105.01875	6.8
105.07036	10.8
109.02871	19.5
111.11716	33.1
119.08582	14.5
121.10113	12.7
123.11697	13.1
127.03043	5.1
127.03880	25.7
137.13274	5.7
139.11176	39.5
141.12735	12.4
145.04990	6.4
155.14325	6.7
161.13301	10.3
175.14801	6.1
203.14308	7.1
219.13164	4.9
221.15369	23.6
239.16400	27.3
304.52902	6.6
377.00238	5.5
416.55582	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	1.6
53.03948	4.9
55.01862	6.3
55.05505	14.5
56.75241	1.0
57.03427	6.4
57.07069	2.9
61.02914	1.5
67.05496	17.7
68.99792	1.8
69.03421	17.1
69.07059	100.0
69.23866	1.0
71.01373	1.0
71.04984	10.8
71.05330	1.1
73.02921	3.3
79.05482	7.8
81.03410	15.8
81.03793	1.3
81.07048	31.7
83.04981	6.3
83.08634	4.2
85.02898	52.3
87.00823	11.5
87.04501	3.4
89.98337	1.1
91.03987	1.2
91.05461	6.7
91.71644	2.4
93.07037	14.5
95.04984	3.4
95.08600	15.0
97.02888	18.2
97.06514	7.0
97.10169	2.4
99.04442	12.9
101.02393	1.4
105.01876	9.4
105.07026	9.5
107.08613	3.6
109.02876	17.9
109.10143	2.6
111.04465	2.1
111.11714	30.0
113.06042	1.1
115.03978	2.2
115.46043	1.3
117.01849	1.3
119.08582	11.0
121.06525	1.5
121.10133	14.7
123.04477	2.2
123.08092	1.4
123.11705	14.0
127.03919	21.5
129.01901	1.5
131.08582	1.5
133.06578	1.3
133.10164	4.1
135.08124	1.7
135.11844	1.3
135.30417	1.1
137.13234	5.6
139.11166	30.6
141.12781	3.6
145.04964	6.2
147.08067	3.0
149.09660	1.3
155.14299	6.3
159.02946	6.0
159.11673	2.0
161.13251	10.6
163.10941	1.1
165.09093	2.3
173.87006	1.3
175.14886	5.2
179.14305	1.6
185.13342	1.8
187.24928	1.3
193.15956	3.6
198.90196	1.3
203.14409	4.8
204.54353	1.2
221.15372	23.5
231.04996	1.5
239.16399	30.9
340.65561	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	505.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
83.02400	2.4
100.07838	2.6
110.73626	2.8
111.29695	2.5
118.61642	3.2
132.64632	3.1
135.59723	2.8
137.93697	2.7
138.59932	2.9
164.50383	2.8
190.22110	2.6
209.67282	3.0
279.87936	3.4
317.32318	3.3
405.17288	4.3
505.25150	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
62.60960	2.2
62.62645	2.2
67.13239	2.1
68.58302	2.5
73.79062	2.2
85.72608	2.6
85.76292	2.5
457.99460	3.3
505.25473	100.0
505.32797	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	505.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	16.8
62.22839	8.9
66.23478	6.5
74.19633	6.6
74.92056	6.5
75.09730	6.9
76.90146	6.5
77.02090	8.9
77.51687	6.7
81.53323	7.3
84.89613	7.3
105.07026	9.0
117.06493	7.3
118.99249	8.9
149.30174	9.2
182.80682	10.0
270.13220	9.8
375.63306	9.2
505.28629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26794	3.7
55.05498	11.9
67.05492	44.1
69.03406	7.5
69.07043	13.5
70.02937	7.8
72.36838	3.6
79.05478	16.8
81.07050	43.3
83.08611	7.7
91.05468	20.1
93.07022	34.4
95.04958	10.3
95.08595	34.1
97.02885	37.7
105.07030	23.6
107.08586	15.6
109.10152	13.0
113.03484	100.0
115.03949	4.7
115.91032	4.5
119.08589	15.2
121.10121	16.6
123.11735	6.5
123.24652	4.0
124.93671	5.7
131.08551	12.8
131.45311	4.1
133.10173	12.2
135.11632	8.9
159.11688	10.7
173.13257	6.8
243.21129	8.4
259.20782	5.3
261.22113	12.0
280.51608	4.7
357.24026	6.1
375.25555	7.7
393.26291	10.1
505.22601	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	505.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
70.87209	2.9
79.73925	2.6
81.46751	2.6
84.31902	2.5
91.68612	2.4
98.79552	2.7
151.22362	2.8
177.05573	3.0
183.52243	3.4
211.96898	3.4
325.04950	3.3
363.24167	3.0
423.27771	4.2
505.29205	100.0
506.29083	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	505.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40273	1.9
56.79813	1.7
57.07069	3.3
60.16663	1.9
61.83390	2.1
63.07244	1.9
64.40862	1.7
64.41241	2.3
66.86679	1.9
79.82436	1.8
88.73395	1.8
125.40624	2.4
159.92596	2.0
417.31470	2.4
487.28458	3.8
487.64362	2.8
504.35870	23.4
505.29346	100.0
505.36340	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	505.292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72992	5.0
57.07063	60.5
57.10728	5.4
60.81232	5.7
62.34669	5.1
63.68135	5.4
68.29220	6.7
85.06539	8.0
136.51268	6.0
141.19252	6.1
165.24915	7.0
173.91516	7.8
200.79352	7.3
201.73973	6.9
241.83519	8.5
245.21449	6.7
326.22687	8.0
341.74783	8.2
394.47610	7.3
403.15259	10.7
421.16400	17.5
505.21832	17.7
505.28818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30222	1.6
54.06473	1.5
55.97685	1.6
60.09805	1.8
60.31415	1.9
73.60449	1.8
79.63314	1.8
82.64863	2.0
91.71652	3.8
101.01775	1.9
118.25945	2.4
125.02264	2.3
339.42078	2.5
505.29306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62796	1.9
63.28642	1.9
67.05482	2.8
67.56536	2.0
98.41595	1.9
100.39680	2.0
186.63419	2.4
281.41888	2.6
290.15695	2.5
305.45316	2.7
364.24088	2.9
505.29282	100.0
506.30099	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	505.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96761	1.0
61.01432	1.0
62.99712	1.0
65.20292	1.0
68.54153	1.1
69.60351	1.2
72.36948	1.1
105.10454	1.3
129.43204	1.2
134.62373	1.3
140.53488	1.4
162.88625	1.4
250.05934	1.5
414.42441	1.9
474.10846	1.5
505.29230	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06070	1.6
54.50769	2.2
56.44207	1.7
56.98001	1.8
57.03431	2.3
67.05488	2.4
68.32316	2.0
69.07066	3.2
71.08562	2.1
72.18761	2.0
79.05464	2.9
81.07024	2.1
84.34619	2.1
86.59092	2.1
89.03894	6.3
95.08586	3.3
109.41864	1.9
117.03350	13.0
120.71544	2.1
124.93806	3.4
129.07076	2.6
135.04399	2.5
145.02846	25.8
149.05923	4.3
155.07396	2.2
158.05992	2.7
177.05455	100.0
186.05493	21.8
214.28729	2.4
232.32593	3.1
270.48331	2.7
276.39325	2.4
342.32886	2.7
442.13821	2.3
505.30020	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	506.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.1
57.03432	3.5
61.02916	8.0
69.03419	19.9
71.04969	2.9
76.93019	2.1
78.66837	2.4
81.03402	9.9
85.02893	100.0
86.86968	2.1
91.03924	5.9
93.29775	2.3
97.02887	22.8
99.04440	5.3
105.07024	7.3
109.02878	9.3
120.49155	2.4
123.14048	2.0
124.05201	18.3
127.03907	23.5
133.06468	7.8
137.05939	15.9
145.04938	37.3
163.06012	11.1
165.09081	44.6
215.84007	2.5
469.28821	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	7.4
57.85961	1.6
58.89957	1.9
69.03413	3.0
71.04983	82.3
73.02899	2.4
74.23679	1.8
75.04469	5.0
83.04973	8.6
85.02894	100.0
86.06012	2.7
97.02894	2.4
107.40173	1.9
111.04462	3.6
126.46216	1.9
127.03922	4.1
129.05463	37.4
131.04890	3.6
139.07513	10.9
147.06523	12.7
164.09134	5.9
190.01480	2.0
207.31702	2.4
234.91989	2.3
240.56383	2.0
243.74814	2.4
263.62363	2.4
487.64728	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.5
62.44677	1.9
67.05501	20.2
69.07071	3.0
69.51308	1.9
79.05498	5.8
81.07050	17.6
83.08620	2.8
88.11277	2.4
88.56252	2.6
90.05545	100.0
90.09164	2.6
90.23798	2.2
90.80025	2.2
91.05466	3.9
93.07049	10.0
93.82822	2.2
95.08611	19.2
107.08596	4.9
109.10144	8.7
119.04937	9.9
121.10172	17.1
123.11721	3.2
135.11693	22.6
147.04402	51.8
149.13268	5.5
154.01274	2.8
165.05469	5.1
206.61505	2.6
217.19507	4.6
228.14127	2.7
235.20628	15.6
253.21677	5.6
268.19574	2.4
406.98926	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	506.324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14678	3.8
53.45004	4.1
55.05502	19.3
57.03433	7.7
57.07061	7.9
59.15674	4.1
67.05501	41.1
69.07076	26.3
79.05456	7.4
81.07039	35.4
83.08601	15.2
87.64994	4.3
93.07033	8.0
95.08597	32.1
97.10156	5.7
107.57131	5.8
109.10175	9.5
121.10115	6.2
123.11712	5.2
129.90984	5.3
167.72334	5.1
191.85184	5.0
365.30521	100.0
406.56699	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	506.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	16.9
62.06079	69.2
67.05486	59.1
69.04932	10.9
69.07047	25.7
79.05504	19.0
81.07040	72.6
95.08594	43.2
97.10197	13.0
98.98439	17.5
105.07057	16.2
109.10172	22.4
119.08578	15.2
121.10142	13.3
129.74887	11.9
159.39063	12.2
265.69653	13.5
291.26547	17.5
297.95264	13.5
326.21719	15.0
346.01270	16.1
365.30423	100.0
502.86005	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	507.1134
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
53.03932	4.0
65.15541	1.0
69.03423	14.6
70.06577	1.1
71.04981	1.7
72.96593	1.2
81.03410	19.7
83.94501	0.9
85.02895	7.9
91.87218	1.0
93.88187	1.1
97.02884	7.4
99.04457	2.0
107.04988	1.5
109.02871	11.4
127.03922	9.7
137.02321	3.8
139.03886	1.2
151.03931	3.1
153.01830	4.7
156.66684	1.3
165.01799	2.1
179.28595	1.1
181.53596	1.1
183.02914	2.1
183.79407	1.2
186.01376	1.3
187.05978	8.2
201.05502	1.5
219.10152	2.4
229.04942	4.7
257.04675	1.8
303.04959	100.0
304.05328	2.0
387.14465	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	507.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20174	1.3
53.03930	5.8
57.03428	1.9
65.42097	1.5
69.03425	15.3
70.06580	2.3
72.08139	2.6
74.68784	1.5
81.03411	26.7
85.02898	10.6
86.09686	3.5
91.05465	2.8
97.02911	8.4
99.04439	4.9
109.02875	12.7
114.24784	1.5
120.08126	2.8
127.03926	7.5
137.02324	2.8
137.05986	6.6
151.07556	3.4
153.01811	6.2
163.03920	1.7
165.01836	3.1
187.05960	11.5
212.63138	1.7
229.05037	3.7
257.04474	2.0
272.28278	1.6
299.87625	1.8
303.04953	100.0
304.05368	3.7
446.74335	1.7
488.27420	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47155	59.7
56.96550	74.2
81.07055	100.0
82.96358	77.6
84.07321	77.9
85.02905	99.9
87.43255	84.3
94.29444	78.9
95.08595	97.2
130.94151	73.3
176.95744	79.1
199.42586	77.7
207.70354	75.8
257.24774	83.0
265.89954	93.9
302.80649	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	507.1296
Annotation	Balsaminone B
Peak:m/z	Relative Intensity
50.80207	22.4
53.98103	20.0
56.63753	22.8
64.34097	23.7
67.01682	26.3
75.78284	24.2
91.71056	35.1
107.04932	74.1
125.80543	27.7
137.06050	33.4
139.57721	26.2
201.05458	31.6
248.14642	32.6
250.45688	34.6
269.04449	97.3
271.05972	100.0
315.69830	33.1
409.65967	34.6
459.10541	85.1
471.10236	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	507.165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89813	26.4
64.41345	23.0
69.28319	28.8
80.73338	24.9
82.23297	30.9
91.05513	30.5
93.02135	28.6
93.15390	32.3
136.34981	28.7
137.06015	100.0
151.07649	33.1
177.05476	29.8
177.49016	30.4
199.07628	30.0
207.11772	36.5
240.60376	28.0
282.82608	33.2
362.21957	30.3
365.13821	55.1
429.13254	38.1
461.16022	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13087	1.8
56.13649	1.6
60.83647	1.9
65.03956	2.5
71.18713	1.8
79.05493	2.3
84.26488	2.0
91.05473	14.9
94.04116	2.7
103.05420	3.0
105.07014	3.7
107.04954	8.0
115.05489	3.3
119.04950	7.9
122.03642	9.4
131.04921	5.6
131.05998	2.1
133.06451	4.3
137.05963	100.0
144.05685	2.6
149.06026	2.5
151.03944	3.1
151.07526	25.9
159.92978	2.3
161.05916	4.2
163.07497	3.6
175.07492	6.6
187.07584	8.4
189.09059	3.7
195.08034	2.8
199.07542	5.6
211.07462	5.3
245.09674	3.1
261.09119	2.7
265.08704	3.3
269.56079	2.9
277.08389	3.7
285.11130	3.2
288.08292	3.0
289.08636	3.3
297.11224	5.8
303.10129	15.3
306.09167	2.6
315.09882	2.7
320.10382	3.1
321.11246	4.6
335.12680	21.2
345.09763	4.6
347.12720	7.8
381.06622	2.7
418.14249	4.5
431.58722	2.7
471.17682	4.9
489.19028	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	507.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13087	1.8
56.13649	1.6
60.83647	1.9
65.03956	2.5
71.18713	1.8
79.05493	2.3
84.26488	2.0
91.05473	14.9
94.04116	2.7
103.05420	3.0
105.07014	3.7
107.04954	8.0
115.05489	3.3
119.04950	7.9
122.03642	9.4
131.04921	5.6
131.05998	2.1
133.06451	4.3
137.05963	100.0
144.05685	2.6
149.06026	2.5
151.03944	3.1
151.07526	25.9
159.92978	2.3
161.05916	4.2
163.07497	3.6
175.07492	6.6
187.07584	8.4
189.09059	3.7
195.08034	2.8
199.07542	5.6
211.07462	5.3
245.09674	3.1
261.09119	2.7
265.08704	3.3
269.56079	2.9
277.08389	3.7
285.11130	3.2
288.08292	3.0
289.08636	3.3
297.11224	5.8
303.10129	15.3
306.09167	2.6
315.09882	2.7
320.10382	3.1
321.11246	4.6
335.12680	21.2
345.09763	4.6
347.12720	7.8
381.06622	2.7
418.14249	4.5
431.58722	2.7
471.17682	4.9
489.19028	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	507.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00456	3.1
68.71534	2.9
71.45860	3.1
75.07648	3.0
79.05494	4.7
91.05470	41.0
94.04195	4.5
95.04950	5.8
102.90961	3.2
107.04961	3.6
119.04944	22.5
122.03654	9.5
137.05968	100.0
145.06439	4.0
147.70726	3.4
149.05983	14.7
149.94948	3.9
150.06606	3.7
150.47363	3.3
151.03879	5.6
151.07532	66.0
161.05978	4.0
175.07565	5.6
187.07675	4.6
189.09003	5.8
199.07568	32.1
211.07564	4.7
248.08365	4.6
259.09570	10.3
263.10727	4.8
277.08408	4.8
285.11340	7.3
291.10175	14.2
321.11047	8.4
323.12787	10.2
335.12729	23.6
347.12674	6.6
352.13058	5.1
418.14011	6.6
459.17883	8.2
489.18695	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	507.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45822	2.8
58.83619	3.1
61.84074	2.8
69.31778	3.5
91.05474	6.5
103.05482	4.7
105.07028	4.2
112.97469	3.9
115.05410	4.9
119.04910	5.0
122.03630	8.0
130.87231	4.0
137.05965	100.0
146.64667	3.9
147.04402	4.4
151.03926	4.5
151.07613	6.0
161.05986	14.4
163.07506	3.7
165.07040	7.9
179.06993	13.9
191.08597	5.5
193.06512	7.4
209.20161	4.3
210.06758	6.2
221.05984	15.7
225.09097	8.3
235.07643	4.4
251.07259	3.8
253.08545	11.7
257.87885	3.8
267.10138	11.7
279.10254	7.7
285.11151	42.5
299.12787	10.8
300.45920	4.6
311.12704	14.6
349.10614	5.8
377.87817	5.3
489.11383	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	507.2376
Annotation	Macaranone A
Peak:m/z	Relative Intensity
55.77313	1.2
57.07071	10.9
79.05480	3.0
83.04980	2.1
85.06513	4.0
95.04971	1.9
97.67839	1.8
105.07013	3.0
121.06511	2.0
133.06499	3.6
138.90024	1.8
140.03024	1.8
145.49803	1.9
145.95979	1.7
151.07512	3.2
157.61693	1.7
161.05957	100.0
163.03949	3.0
217.12184	9.0
245.11708	6.5
261.11118	3.2
263.12750	5.4
269.34119	1.9
354.53812	2.2
489.22446	5.1
504.10318	2.1
504.36920	2.3
507.31134	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	507.2377
Annotation	Macaranone A
Peak:m/z	Relative Intensity
55.24401	10.6
57.07056	64.6
85.06544	26.9
91.02198	11.4
135.72917	13.3
136.42685	11.9
161.05957	76.2
248.90103	12.5
277.02036	13.6
384.40900	15.0
405.17126	19.2
443.22192	27.8
507.30780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.3
55.78592	1.1
56.05010	4.4
67.84997	1.2
75.27128	1.2
82.01160	1.2
82.06574	1.9
84.08134	100.0
91.58303	1.2
115.38454	1.2
126.44489	1.3
126.58466	1.3
127.04834	1.3
137.06000	2.1
289.39484	1.6
293.87772	1.6
443.25278	6.8
489.25833	14.9
507.27017	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	507.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
62.54286	66.2
64.45029	43.0
67.05505	57.0
67.51329	55.2
69.92998	51.3
81.07013	96.2
93.07028	69.6
95.08623	77.9
102.69299	54.9
107.08582	52.9
109.88146	48.4
113.96806	53.2
117.45051	61.2
134.72842	56.9
167.10158	55.9
169.23253	52.2
185.95486	64.0
271.26559	69.2
313.47580	73.6
354.73361	70.3
489.26266	100.0
507.27295	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72151	3.0
56.96001	3.3
57.61160	3.0
61.54112	3.7
67.11693	3.6
87.53618	3.7
95.42161	3.7
95.89977	3.7
123.02463	9.2
155.01869	4.9
158.20438	4.4
219.59764	4.2
227.53752	6.0
507.30798	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60284	3.5
55.89275	3.5
57.07047	4.5
68.94177	3.9
83.17904	4.7
115.93550	4.2
161.05974	28.0
162.41791	4.4
175.10004	4.6
210.01659	4.7
230.74973	5.3
245.11676	5.8
507.30588	100.0
518.53546	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	507.3082
Annotation	Stellettin C
Peak:m/z	Relative Intensity
57.07065	3.2
58.22142	2.4
59.81707	2.5
60.07169	3.0
63.42177	2.5
77.49418	2.7
229.08403	3.6
288.13208	4.5
413.79321	4.3
507.30856	100.0
508.30807	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	507.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	18.0
67.05495	79.3
69.07059	36.4
79.05471	11.5
80.97253	11.6
81.07025	66.2
83.08605	15.5
91.05497	22.7
93.07041	24.4
95.08588	58.2
119.08584	15.5
121.10149	18.1
122.16882	12.0
123.11684	13.8
129.05531	13.5
133.10127	17.9
135.11719	22.9
147.11694	16.1
153.20451	12.9
157.52866	13.2
217.19475	25.8
235.20499	32.1
327.25156	100.0
361.23889	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45033	1.1
55.05495	1.3
66.28545	1.2
67.05468	2.0
68.99789	1.5
69.03410	1.7
79.05484	1.9
81.07043	3.5
85.02892	1.4
85.93629	1.2
95.04957	2.6
95.08591	2.5
98.73643	1.2
98.99060	1.2
107.04946	3.3
109.10137	2.8
111.84991	1.3
123.04420	3.2
123.08085	1.4
125.02363	1.6
127.03882	1.8
135.04434	6.0
139.03893	33.8
149.05957	2.6
151.03891	100.0
153.05315	1.5
158.94621	1.2
163.03894	23.0
165.05437	2.8
166.34161	1.3
177.04037	1.4
177.05458	7.1
181.04950	10.7
219.10149	91.3
285.81836	1.4
369.13168	1.6
387.14316	49.4
405.63226	1.5
469.88660	1.7
490.51501	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81102	5.4
62.70546	4.1
66.49641	4.2
67.05497	12.7
69.03409	15.8
71.09446	4.7
72.21686	4.3
81.03417	5.0
85.02874	21.2
97.02879	9.4
106.06583	10.5
108.08109	100.0
113.02084	5.4
124.07555	14.6
134.06023	24.2
136.07584	32.8
145.14288	5.1
152.07048	75.5
167.03400	17.5
184.09657	45.9
314.12357	21.9
346.15024	13.7
350.54309	5.9
407.87784	6.5
508.19946	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27741	0.8
66.78978	1.0
68.05032	1.3
70.06613	1.0
86.06089	4.6
91.71034	1.1
93.07092	1.1
103.05499	4.7
103.75246	1.0
107.04963	2.7
120.08100	100.0
121.08457	1.1
130.05098	1.0
131.05002	3.1
149.05962	1.8
151.22745	0.9
152.07161	1.1
166.08623	45.0
198.43416	1.1
264.49353	1.1
290.20743	1.2
331.35129	1.4
474.42847	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	508.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
68.03870	0.8
69.07054	7.8
86.09695	100.0
89.16279	0.7
121.06531	0.9
123.04465	0.8
130.85902	0.9
132.10197	63.8
132.20953	0.8
137.05931	1.8
179.07097	1.0
202.76364	0.7
220.11023	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04436	0.3
54.61961	0.4
56.86274	0.3
68.05028	0.5
69.07043	0.7
70.06583	100.0
71.04988	1.2
72.08151	0.9
84.04528	0.8
85.02901	2.3
86.09699	5.5
87.05552	0.5
88.03983	0.5
91.03959	0.7
97.02898	0.5
98.68258	0.5
120.08109	4.2
136.07568	0.7
139.57582	0.4
233.16476	0.7
248.08739	0.6
328.21393	1.1
490.26413	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	508.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53616	8.7
55.01870	12.0
55.05498	46.2
57.71486	10.0
67.05495	58.0
69.03428	13.5
69.07050	32.0
71.04983	26.2
75.32163	12.5
79.05470	45.1
81.07050	100.0
83.04955	12.4
83.08604	38.3
85.02911	38.9
85.06518	22.4
91.05477	30.2
93.07052	56.1
95.08585	58.3
97.02879	16.6
99.08113	41.7
105.07024	26.5
107.08598	21.4
109.10174	25.9
111.08106	14.1
119.08571	21.1
121.10147	34.1
125.09580	15.8
131.08640	12.8
133.10086	16.9
135.11694	36.1
145.10143	12.2
159.11707	25.8
175.09669	24.3
202.61174	13.7
257.19012	18.1
275.20047	39.0
293.21152	36.4
307.15564	13.2
311.22076	15.8
334.36078	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	23.4
60.34697	8.4
67.05493	74.5
69.07050	36.3
79.05460	26.3
81.07043	97.3
83.08607	33.2
91.05469	19.6
93.07040	42.8
94.07320	8.1
95.08594	82.8
97.06523	17.0
97.10163	26.0
101.09115	8.0
105.07054	13.9
107.08578	31.8
109.10184	39.9
119.08563	18.8
121.10129	65.4
123.11673	9.0
123.72332	9.7
133.10103	15.7
135.11737	41.9
137.09569	8.8
147.11748	21.9
147.18045	9.8
148.18565	10.3
217.19540	12.0
235.20560	34.7
253.21979	13.0
263.44305	9.5
321.20578	25.1
339.21655	50.4
413.25412	100.0
473.27609	28.7
509.88629	12.8
533.10632	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3118
Annotation	Broussonetine B
Peak:m/z	Relative Intensity
50.56315	2.5
51.31876	2.3
55.01850	3.8
55.05495	10.4
56.05028	7.1
57.03444	3.0
57.07083	3.4
60.04519	100.0
61.26767	2.6
67.05502	25.7
69.07055	11.5
70.06579	9.6
71.00968	3.3
79.05495	6.0
80.91320	3.2
81.07053	36.1
83.01307	3.9
83.08594	5.7
84.50397	3.3
85.02901	7.1
93.07033	9.3
95.08594	27.9
109.10150	10.8
119.37210	3.8
121.10128	4.4
134.48665	3.4
141.34259	3.1
148.24008	3.2
150.97592	3.5
152.25896	3.4
174.77473	3.9
207.73409	3.3
248.24556	3.9
254.24805	4.4
268.26260	6.7
279.30872	4.0
280.26300	30.9
298.27448	23.5
316.28424	18.6
454.27988	5.3
472.29001	11.1
490.29956	32.5
508.31238	63.9
508.38632	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	508.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	23.4
60.34697	8.4
67.05493	74.5
69.07050	36.3
79.05460	26.3
81.07043	97.3
83.08607	33.2
91.05469	19.6
93.07040	42.8
94.07320	8.1
95.08594	82.8
97.06523	17.0
97.10163	26.0
101.09115	8.0
105.07054	13.9
107.08578	31.8
109.10184	39.9
119.08563	18.8
121.10129	65.4
123.11673	9.0
123.72332	9.7
133.10103	15.7
135.11737	41.9
137.09569	8.8
147.11748	21.9
147.18045	9.8
148.18565	10.3
217.19540	12.0
235.20560	34.7
253.21979	13.0
263.44305	9.5
321.20578	25.1
339.21655	50.4
413.25412	100.0
473.27609	28.7
509.88629	12.8
533.10632	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	6.5
60.04515	91.1
61.59236	5.6
63.17018	6.1
67.05505	35.8
68.02698	6.5
69.07058	8.6
70.06561	7.9
79.05503	12.1
81.07051	38.0
83.08614	8.7
86.67638	5.4
91.05507	8.6
93.07040	18.1
95.08605	25.4
107.08625	14.5
107.45535	5.7
109.10151	11.2
117.03416	20.2
121.10142	12.6
123.01656	7.2
124.09100	6.5
134.38530	7.3
145.02850	26.3
147.04413	12.7
149.05975	8.9
166.23784	6.6
177.05475	100.0
186.05597	17.9
191.85118	6.4
208.19824	6.6
251.39276	6.6
278.24741	17.5
296.25897	38.1
314.26846	51.4
325.72681	7.6
453.06604	8.2
490.31631	12.6
508.32635	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90942	0.5
59.34375	0.5
61.00955	0.6
67.05476	0.7
70.10565	0.6
70.56670	0.6
81.07057	0.9
86.18343	0.6
95.04947	1.0
95.08556	0.7
103.05465	41.7
109.10187	0.8
111.75297	0.6
131.04924	100.0
132.47559	0.7
163.07533	35.4
198.12964	0.7
233.19151	0.8
251.20093	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	508.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24575	2.2
56.33202	2.0
65.65961	2.4
67.05485	2.3
68.73689	2.3
69.07050	2.8
74.85373	2.5
81.07019	5.0
95.08604	4.4
101.57208	2.4
103.05473	35.3
104.04425	2.9
111.22114	2.2
112.84579	2.9
120.89389	2.4
131.04915	100.0
136.35988	2.4
137.80974	2.9
163.07530	31.1
358.87921	3.1
427.48608	3.1
438.45313	3.2
523.84448	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	508.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43750	5.9
60.08148	18.9
67.05490	6.5
69.07036	6.2
70.26855	5.2
83.81160	5.8
86.09698	43.0
91.71037	7.0
104.10733	100.0
125.00003	17.3
184.07329	76.9
313.73361	7.7
418.36014	7.0
508.33768	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	508.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24233	1.1
60.08153	10.4
63.23008	1.1
65.58739	1.3
71.07355	3.8
72.75780	1.1
86.09693	38.4
98.98460	2.0
103.07100	1.3
104.10719	4.7
106.75941	1.2
125.00000	24.6
132.15521	1.3
170.10637	1.4
184.07323	100.0
185.07744	1.5
365.28159	1.8
447.53015	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	33.7
57.03415	13.1
57.07066	23.2
58.74214	10.7
67.05498	65.8
69.07046	51.6
71.08632	13.9
71.33500	12.7
74.06038	13.1
79.05487	25.4
81.07058	91.9
83.08604	54.5
83.95310	10.8
86.09702	35.5
93.07034	52.2
95.08604	55.8
97.06532	14.5
97.10171	26.8
104.10752	34.2
107.08582	35.8
109.10141	25.1
121.10123	76.4
123.11727	15.5
125.03372	12.4
135.11664	42.0
137.13240	18.3
147.04340	13.3
163.14885	15.6
173.92918	13.2
184.07292	31.5
219.21051	57.9
237.22154	100.0
277.56760	13.3
311.25699	79.2
323.48135	15.1
329.26923	43.5
331.47464	15.5
362.03049	14.1
485.39188	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	508.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12611	9.3
54.52998	10.2
55.05490	55.5
57.03428	12.6
57.07056	20.8
60.08120	11.0
61.74589	9.4
62.58460	10.5
67.05498	78.2
69.07058	68.4
71.08619	17.1
72.96716	10.3
79.05481	14.7
81.07043	100.0
83.08607	49.6
85.02895	19.4
86.09699	45.5
91.71033	17.2
93.07039	33.6
95.08607	61.5
97.06499	14.7
97.10149	29.0
104.10741	91.7
107.08583	22.7
109.10157	29.1
117.69106	12.2
121.10133	54.6
123.11717	17.9
125.00008	18.0
135.11685	50.5
149.02344	15.7
166.33572	13.2
184.07283	63.1
219.21124	47.1
237.22105	90.4
252.60902	15.2
255.23170	18.5
285.05045	14.6
311.25729	78.9
316.36438	14.2
329.26770	21.1
505.30545	16.6
508.34372	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	509.129
Annotation	syringetin-3-O-glucoside
Peak:m/z	Relative Intensity
55.01866	1.5
57.03431	1.7
61.02910	2.4
69.03426	8.5
81.03398	4.9
85.02895	22.1
96.94522	1.3
97.02904	8.4
109.02889	3.7
121.02887	1.7
127.03895	2.5
137.49861	1.3
139.03900	4.6
145.04909	1.8
153.01859	11.4
153.05492	6.1
165.01842	4.7
181.04956	1.7
207.89061	1.3
229.05042	2.1
231.06673	2.6
244.03880	1.5
257.04401	1.6
258.05194	7.1
259.06274	1.4
261.08728	2.7
264.54147	1.5
269.04587	2.2
269.70456	1.6
286.04703	5.6
287.05450	8.5
291.08688	2.3
303.04977	5.0
314.03702	1.6
315.05045	2.4
327.10031	2.0
331.04486	5.8
332.05267	4.2
347.07578	100.0
348.07758	2.1
372.11844	5.0
389.48297	1.6
494.92261	1.5
533.39264	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	509.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59517	1.2
53.30186	1.0
57.03426	1.9
61.02920	3.1
61.31956	1.4
65.07146	1.4
69.03416	7.1
73.02876	1.7
81.03389	1.9
85.02897	17.3
85.41235	1.4
91.71082	1.8
97.02891	5.1
99.04456	1.5
109.02873	1.8
127.03912	1.6
127.73251	1.5
129.21069	1.3
129.81493	1.3
139.03862	6.7
153.01842	5.9
153.05432	7.1
165.01833	6.0
197.52744	1.4
230.05693	1.6
257.43893	1.5
258.05280	7.3
259.06134	2.0
285.03906	2.0
286.04678	3.9
287.05392	9.3
303.05164	2.1
315.04944	3.9
331.04437	5.2
332.05157	3.9
342.69568	1.7
344.86899	2.0
347.07584	100.0
361.00052	1.7
374.31012	1.6
404.73456	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	509.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.1
57.03426	1.3
61.02903	2.7
61.38401	0.8
63.62031	0.6
69.03159	0.4
69.03420	5.6
81.03403	1.8
81.90639	0.7
83.04972	0.6
85.02895	17.1
87.04438	0.7
88.11392	0.6
97.02898	4.3
97.57930	0.6
99.04459	1.2
109.02862	1.3
111.00739	1.1
124.07251	0.6
127.03909	2.5
137.02371	1.7
139.03891	1.8
145.04996	1.6
150.03099	1.0
151.03918	0.7
153.01813	7.3
155.05133	0.8
163.03854	0.7
165.01846	1.3
178.02596	1.3
181.04964	0.9
192.34219	0.7
194.02077	0.7
229.04953	2.4
230.05814	1.5
231.06674	0.7
243.02872	0.8
244.03600	2.4
245.04581	0.8
257.04352	1.0
258.05191	10.6
259.05981	2.6
261.03952	0.9
285.03851	1.9
286.04700	6.4
287.05365	2.7
289.03293	0.8
291.08527	0.9
302.04349	1.2
303.04932	4.6
309.90274	0.8
313.03329	1.0
314.04089	3.3
315.04919	3.5
331.04453	13.1
332.05206	7.9
347.07571	100.0
348.07800	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1289
Annotation	syringetin-3-O-glucoside
Peak:m/z	Relative Intensity
55.01847	1.4
55.47041	1.5
61.02901	1.6
62.57433	1.2
69.03422	7.5
81.03413	2.6
84.21085	1.5
84.21692	1.4
85.02896	15.8
90.44974	1.3
91.71661	1.8
97.02891	3.9
111.96144	1.5
113.19423	1.5
127.03949	2.0
137.02289	2.1
137.05984	5.5
139.03799	3.2
145.04967	3.0
150.03120	1.8
153.01848	6.8
165.01733	1.7
216.44487	1.6
244.03671	2.0
258.05188	10.8
286.04602	8.9
287.05377	2.5
303.04913	3.7
314.04144	3.2
315.05008	3.5
331.04404	13.6
332.05283	7.1
345.77524	1.9
347.07571	100.0
348.07901	2.4
434.61304	1.8
521.60840	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	509.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	1.9
69.03416	5.7
70.84999	1.7
85.02893	9.9
91.05467	5.4
91.71585	2.7
97.02900	4.4
98.78833	1.5
108.19759	1.7
117.05822	3.1
118.06520	3.1
130.82005	1.8
138.66049	1.5
141.62512	1.7
142.98985	2.3
143.07330	4.7
180.65799	1.8
182.00085	2.0
192.49173	1.8
192.51027	1.8
196.07483	2.0
225.07819	3.8
233.08334	3.3
236.07065	4.8
248.07127	2.3
250.08722	2.1
251.09444	4.7
260.04709	19.6
268.61212	2.1
270.03128	5.6
274.06335	6.9
284.04626	2.4
286.06320	11.8
288.04160	24.8
301.07401	2.2
312.04190	4.2
330.05234	100.0
347.07944	19.6
377.49466	2.4
417.33936	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	509.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97297	4.9
70.58189	4.4
91.71600	5.9
122.03693	6.2
126.46732	5.0
135.04466	13.3
137.05963	40.1
151.03903	8.2
161.05928	6.7
173.53780	6.2
276.04465	7.6
307.05960	8.0
319.06006	10.2
443.11194	11.7
452.09027	5.8
461.12549	30.1
509.14355	100.0
536.93030	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	509.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14219	0.9
55.05506	1.8
56.05031	32.3
56.05311	1.8
57.16278	1.0
58.99582	12.7
58.99826	1.2
60.04521	1.2
68.05038	2.6
68.13921	1.0
70.06584	41.3
70.99590	1.5
71.06936	4.4
76.02221	42.0
79.05515	3.4
80.05035	2.2
81.07066	3.5
84.04485	11.4
84.08122	2.2
84.88227	1.2
85.01121	7.5
86.00662	1.8
86.99042	6.5
87.02666	1.0
88.04003	6.7
96.08170	2.1
97.01165	1.3
98.09688	35.9
100.02228	2.4
105.00131	3.6
107.19801	1.0
110.09712	2.1
113.04209	10.9
114.03790	2.2
116.01678	8.3
122.09689	3.4
123.10526	1.1
129.10291	1.3
130.04961	5.6
130.35229	1.1
132.01151	1.8
142.03259	4.7
144.01189	3.8
156.08400	13.6
162.02176	13.7
179.04851	28.3
180.72733	1.2
201.28546	1.2
202.08958	100.0
211.06274	1.2
233.05768	6.2
243.19759	1.5
305.45615	1.3
308.09082	40.0
342.97208	1.2
491.26743	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	509.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11074	4.0
52.12954	3.9
52.85497	4.3
56.72909	4.5
57.65837	4.1
66.02160	4.9
91.05444	13.4
105.07009	4.6
107.04905	5.5
121.06480	6.2
129.06996	5.4
137.05969	100.0
151.03877	19.8
151.07542	42.7
161.05972	21.0
163.07530	5.9
173.55473	6.0
175.07547	6.9
177.05513	4.8
177.09033	9.8
189.09058	5.9
195.10136	25.7
224.08218	5.2
237.05623	5.9
237.09103	5.9
243.79300	4.9
247.99825	5.3
265.08566	10.7
271.05917	13.1
285.11197	6.6
297.11130	18.4
311.12866	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	509.217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97322	2.2
52.88594	2.5
54.81318	2.6
65.56789	3.0
79.93160	3.4
87.86103	2.8
89.88896	3.1
91.05487	21.1
91.71045	4.5
92.06868	3.5
92.52130	3.0
93.49107	2.8
95.04997	4.4
107.04996	13.0
119.04967	6.8
122.03683	9.5
131.04962	3.8
137.05966	100.0
137.06908	6.8
151.07513	37.1
153.07008	3.4
159.08134	3.3
163.07550	3.4
192.13931	3.5
213.09198	5.0
259.09711	15.5
279.10406	3.7
303.10068	4.1
355.15256	4.8
367.15094	20.8
473.19653	10.0
491.20547	9.8
505.26315	4.4
523.53442	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	509.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52253	5.5
55.03348	5.9
57.07064	100.0
58.35482	7.1
62.33928	6.3
66.27760	7.8
66.95738	6.9
67.05486	19.7
72.33696	7.3
79.05478	9.8
81.07043	26.0
85.06528	39.5
87.55241	7.4
91.05470	19.5
93.07037	20.8
95.04964	21.4
95.08542	8.3
105.07048	15.4
107.04974	7.2
109.06520	10.7
123.05193	8.5
126.80548	7.8
147.23274	9.4
148.24852	8.4
171.16348	7.8
229.12114	10.1
247.13463	11.9
302.38678	9.5
343.17017	13.8
389.17212	9.4
445.23657	34.0
463.24643	29.1
473.23441	19.1
491.24316	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	509.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74284	1.0
55.93648	1.1
57.07066	13.9
67.05520	1.2
69.03422	1.4
73.08488	1.1
79.05492	2.4
81.07078	1.9
83.05012	1.6
85.06516	5.6
86.09711	1.6
91.05508	4.0
93.07053	1.5
95.04980	1.3
95.08617	2.5
95.43489	1.0
103.05427	1.2
104.10781	5.3
105.07062	4.2
110.43447	1.1
115.05431	1.8
121.02840	1.5
121.06482	1.6
123.04434	1.3
123.22971	1.1
128.06203	1.6
129.07048	2.2
133.06516	3.4
135.04475	2.1
135.08043	1.4
143.08635	1.3
146.31085	1.2
147.08078	2.7
148.08607	1.1
149.02208	1.3
160.05246	1.6
161.05986	7.5
161.09743	1.3
174.06856	2.7
175.07574	1.4
189.05534	2.6
193.08786	1.2
200.38365	1.3
202.06203	18.2
203.07053	2.5
203.10338	1.3
203.14330	2.3
229.12340	1.4
231.13898	3.4
242.97516	1.3
245.11696	100.0
259.13382	4.8
277.14349	14.0
277.27310	1.3
373.70776	1.3
509.25314	1.9
509.32324	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	509.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27280	1.3
53.10454	1.5
55.01910	1.5
55.05497	2.3
57.06801	1.8
57.07066	24.4
64.62181	1.5
67.05497	12.8
68.49104	1.6
79.05496	2.7
81.07032	3.5
81.95760	2.0
83.05003	1.9
85.06534	7.2
89.06021	3.7
95.04941	8.8
95.08572	3.1
105.07034	4.7
113.05988	28.0
123.04423	2.1
141.05464	4.4
145.06462	4.1
151.07425	2.5
161.05965	100.0
169.58398	1.8
187.26691	1.8
201.09004	2.1
206.93755	2.1
216.95116	1.9
217.12285	2.4
219.13814	10.2
245.11807	8.5
247.13318	3.0
267.13931	2.2
367.18823	2.0
369.20538	25.0
509.25186	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	509.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06802	1.6
57.07067	20.9
64.46893	1.0
65.03910	1.1
67.05496	7.7
72.25813	0.9
72.56044	1.2
79.05515	1.4
81.03407	1.1
81.07066	1.7
85.06554	7.1
91.05466	1.8
91.71071	2.2
95.04956	8.5
95.08579	2.3
105.07028	4.4
107.04911	1.5
113.05998	18.7
115.95103	1.2
123.04441	1.4
133.06470	2.0
137.05974	1.3
145.06500	2.3
151.07539	1.6
160.02800	1.2
161.05957	100.0
162.06407	1.4
165.05562	1.5
189.05489	1.7
201.09229	2.0
216.41588	1.4
217.12024	1.7
219.13802	6.9
245.11697	9.6
247.13373	2.0
264.34216	1.3
267.13681	1.6
283.13217	3.5
285.14801	3.4
344.99997	1.3
360.00433	1.4
369.20578	17.9
394.45786	1.6
509.25360	7.6
509.45651	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	509.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23702	0.9
50.70971	0.9
57.06799	1.8
57.07066	23.2
66.84846	1.0
67.05480	1.5
78.13277	0.9
79.05471	2.3
81.07021	2.1
83.04968	1.0
85.06534	11.6
86.05886	1.0
88.05884	1.1
91.05463	2.6
93.07014	1.6
95.04964	3.4
95.08595	1.8
103.05467	1.6
105.07017	10.7
107.53391	1.1
117.06973	1.2
119.08598	1.3
121.06554	1.5
122.11651	1.4
123.08022	1.5
129.06990	2.2
133.06474	4.2
145.06502	3.6
147.08105	3.3
157.06496	2.5
159.25963	1.4
161.05956	100.0
173.06058	2.1
174.06828	1.6
175.07567	3.5
182.62642	1.4
185.06007	4.4
189.05464	1.3
189.12720	3.1
203.07014	9.8
217.12202	7.2
219.13710	9.2
245.11732	5.5
246.12531	5.4
247.13268	7.8
283.13306	10.9
292.94193	1.2
367.18967	8.2
407.18793	3.1
419.68005	1.3
463.24686	2.3
473.23523	6.1
491.24014	5.9
502.09830	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	509.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57844	3.8
52.69431	3.5
55.05503	23.3
57.03418	13.2
57.07050	7.4
57.94361	3.4
67.05494	61.6
69.07055	31.3
70.33241	3.5
73.09101	3.6
76.11743	3.5
79.05478	7.4
80.20734	3.3
81.07038	52.9
83.08614	19.1
84.78784	4.0
85.10146	5.2
86.09709	10.2
91.05495	11.0
92.09893	3.7
93.07030	21.5
95.08607	35.0
97.10165	9.9
98.98454	29.5
104.10742	12.6
105.07128	5.7
107.08552	7.5
109.10130	20.4
110.10375	4.7
112.61156	4.0
117.00399	3.7
119.08503	3.6
121.10158	11.5
123.11723	8.2
135.93547	3.9
147.04425	5.5
155.01086	4.9
167.02406	4.0
173.02083	6.3
184.07370	8.4
237.22272	8.1
238.22499	4.7
248.19495	4.5
263.23788	4.7
282.10098	4.8
337.27313	100.0
345.99261	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	509.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57844	3.8
52.69431	3.5
55.05503	23.3
57.03418	13.2
57.07050	7.4
57.94361	3.4
67.05494	61.6
69.07055	31.3
70.33241	3.5
73.09101	3.6
76.11743	3.5
79.05478	7.4
80.20734	3.3
81.07038	52.9
83.08614	19.1
84.78784	4.0
85.10146	5.2
86.09709	10.2
91.05495	11.0
92.09893	3.7
93.07030	21.5
95.08607	35.0
97.10165	9.9
98.98454	29.5
104.10742	12.6
105.07128	5.7
107.08552	7.5
109.10130	20.4
110.10375	4.7
112.61156	4.0
117.00399	3.7
119.08503	3.6
121.10158	11.5
123.11723	8.2
135.93547	3.9
147.04425	5.5
155.01086	4.9
167.02406	4.0
173.02083	6.3
184.07370	8.4
237.22272	8.1
238.22499	4.7
248.19495	4.5
263.23788	4.7
282.10098	4.8
337.27313	100.0
345.99261	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	509.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	44.1
56.29759	9.8
57.07095	17.8
67.05498	70.2
69.07074	49.1
76.23916	9.5
81.07059	60.8
82.74123	9.8
83.08633	21.9
93.07038	13.4
95.08611	53.4
97.10172	18.3
105.07084	10.7
107.03329	10.3
109.10184	24.3
121.10085	11.5
131.71854	11.5
141.96288	10.0
178.86745	11.1
221.06049	15.0
223.03986	14.9
225.05573	18.7
235.07707	27.1
237.09248	25.0
241.04955	29.5
249.05522	13.0
251.03363	12.6
251.07175	17.7
255.06534	16.4
262.69864	11.4
263.07211	33.3
265.08743	26.2
267.03070	20.3
267.06506	12.5
269.04431	54.8
275.07123	15.3
277.08749	14.0
279.06519	28.8
281.08218	34.8
315.84259	11.6
427.21414	19.4
455.25949	24.5
468.23975	37.4
473.26657	62.8
491.27878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3107
Annotation	Carthamoleusterone
Peak:m/z	Relative Intensity
54.50484	0.4
55.05506	0.8
57.07047	0.6
63.02350	1.0
67.05477	2.5
69.07048	0.8
78.04678	0.6
79.05460	1.0
81.07034	4.6
83.08604	0.9
89.03912	8.6
91.05439	1.3
93.07039	1.2
95.08590	3.7
109.10125	1.7
117.02559	1.1
117.03368	19.7
121.10059	0.8
134.03609	2.1
135.04346	1.3
135.11647	0.8
145.02831	34.5
149.05931	8.7
158.05988	5.8
161.13206	0.7
162.03212	0.5
162.05472	0.7
163.03862	0.9
177.05447	100.0
178.05820	0.8
186.05479	20.5
197.22227	0.6
207.15538	0.6
220.98418	0.6
231.09935	1.1
261.22266	0.6
279.23093	3.9
280.46259	0.6
297.24109	1.5
408.86761	0.6
491.29922	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	509.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93554	0.9
53.18788	1.0
55.46315	1.0
57.03414	1.2
61.68777	1.2
65.03938	1.4
67.05483	2.0
72.82819	1.3
81.07045	3.5
91.05466	9.8
91.71104	1.6
95.08604	3.3
100.93223	1.3
109.10184	1.8
116.64453	1.1
117.05508	3.4
119.04938	26.1
131.05534	1.2
147.04404	100.0
168.06908	1.3
168.60631	1.4
177.71539	1.5
221.08102	4.2
263.09140	4.5
327.25229	7.3
489.23080	1.6
509.27161	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.3
65.03923	1.3
67.05493	1.0
69.07061	1.5
81.07041	1.6
83.08649	0.6
90.43916	0.5
91.05479	14.5
95.08617	1.1
96.93341	0.5
109.10193	0.9
117.05479	5.8
119.04942	26.9
123.27806	0.6
132.35779	0.7
139.41298	0.6
147.04407	100.0
148.04735	1.6
183.63194	0.7
221.08061	3.4
231.04950	0.6
250.88687	0.6
253.75294	0.6
263.09262	2.7
294.57150	0.7
322.74869	0.6
327.25351	4.7
473.28989	0.7
509.26895	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13917	1.6
57.07051	6.2
73.82905	2.0
85.56798	2.0
88.59298	2.2
92.04031	2.0
110.20082	2.2
118.68800	2.1
238.97989	2.1
286.99612	2.6
287.12537	35.8
328.15189	6.3
462.91611	2.5
489.22552	2.8
509.32367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	4.2
60.04522	100.0
68.75040	2.3
69.67625	2.7
70.02937	5.0
70.06580	6.8
72.08148	3.6
73.02872	2.3
83.06116	4.6
84.04509	47.9
98.06055	3.1
102.05566	6.1
105.06625	65.6
107.05002	3.1
110.07181	3.4
120.08107	50.1
124.68130	2.6
126.05518	7.9
128.81291	2.7
134.60699	3.5
139.03894	4.2
164.03503	7.8
166.08649	17.4
177.03239	4.7
181.06096	11.2
195.07823	2.8
199.07251	5.7
200.89081	2.9
216.09798	46.5
221.12971	2.8
230.58754	3.5
231.11269	8.3
277.11823	25.1
289.11862	3.3
295.13092	3.8
328.11353	5.3
345.13956	10.9
353.42636	3.8
503.37085	3.6
510.18765	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	510.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	4.2
60.04522	100.0
68.75040	2.3
69.67625	2.7
70.02937	5.0
70.06580	6.8
72.08148	3.6
73.02872	2.3
83.06116	4.6
84.04509	47.9
98.06055	3.1
102.05566	6.1
105.06625	65.6
107.05002	3.1
110.07181	3.4
120.08107	50.1
124.68130	2.6
126.05518	7.9
128.81291	2.7
134.60699	3.5
139.03894	4.2
164.03503	7.8
166.08649	17.4
177.03239	4.7
181.06096	11.2
195.07823	2.8
199.07251	5.7
200.89081	2.9
216.09798	46.5
221.12971	2.8
230.58754	3.5
231.11269	8.3
277.11823	25.1
289.11862	3.3
295.13092	3.8
328.11353	5.3
345.13956	10.9
353.42636	3.8
503.37085	3.6
510.18765	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	510.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42891	6.7
51.39868	5.8
66.18520	7.0
69.03399	8.7
71.04977	61.4
72.29310	6.8
85.02876	68.0
91.05460	9.1
93.22414	7.4
104.05810	9.2
129.05458	23.5
135.99353	9.3
137.05957	100.0
149.06012	25.6
151.07535	47.3
159.08092	11.3
163.07541	27.6
172.81581	9.3
175.07596	33.3
189.09163	13.7
204.33212	9.7
271.09567	17.2
299.12747	18.1
317.13721	75.7
354.43265	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	510.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90208	0.9
52.96532	1.1
55.03436	0.9
57.03423	2.4
64.87436	1.1
67.05495	2.3
69.03420	14.2
70.34643	1.2
73.06570	2.3
73.53403	1.1
79.05443	2.6
81.03407	1.5
81.07059	6.9
82.52341	1.2
83.04958	1.4
85.02898	9.4
87.04453	10.6
91.05445	2.1
91.71649	2.9
93.07037	10.9
93.13618	1.2
95.08570	3.6
95.20380	1.4
97.02872	12.0
101.05996	11.6
105.19807	1.2
107.08593	4.9
115.03931	11.8
115.07576	2.6
118.15005	1.1
121.10125	22.8
125.06060	1.3
127.03877	1.7
133.04971	8.3
135.11679	2.1
139.59262	1.3
149.09660	4.7
150.07608	3.8
160.50824	1.5
181.12216	100.0
182.12585	1.9
199.13275	2.3
348.08133	1.7
406.29291	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	510.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05743	0.8
57.03420	2.5
65.56913	0.8
66.90501	0.8
69.03425	5.0
73.02907	4.1
74.10669	0.8
76.76533	0.8
79.05495	5.2
81.03391	0.9
81.07040	2.5
85.02888	6.1
85.87329	0.9
87.04433	1.1
91.05453	4.4
91.71638	1.4
93.07032	28.0
95.08585	2.7
97.02886	3.7
105.07027	4.4
107.04938	1.2
107.08575	3.9
109.06568	1.5
115.03930	2.5
121.10136	100.0
123.08081	1.4
123.11719	1.9
131.08577	1.5
137.05952	1.3
141.56003	1.0
149.09602	12.5
151.39218	1.0
153.12697	1.2
167.10670	2.7
181.12213	31.2
181.13756	1.8
191.42172	0.9
199.13286	8.8
210.83551	0.9
233.56676	1.0
279.67169	1.0
313.10580	1.5
417.04993	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52387	5.4
55.12495	6.6
57.07063	45.2
59.97422	6.7
69.07052	14.9
75.89297	6.6
80.16030	5.5
81.07047	88.7
85.02914	9.7
85.06533	80.1
99.08096	9.9
109.06501	27.3
120.08074	42.7
127.07549	100.0
143.57715	8.1
146.50075	6.6
166.08630	70.6
183.13802	90.1
194.75758	6.7
203.94206	6.8
305.99454	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	510.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15137	2.9
51.51188	2.7
54.43247	3.1
57.07062	14.6
58.75952	2.9
66.60067	3.4
67.05500	7.7
69.03415	8.7
79.86751	3.5
81.07027	5.3
85.06506	5.0
91.05503	4.1
92.31582	3.7
95.04958	18.4
95.08594	5.4
97.02876	64.6
105.06966	5.2
117.06992	4.5
118.39041	3.5
119.37653	3.9
123.04395	5.0
137.09682	6.3
151.11171	69.1
247.13283	100.0
247.17081	5.9
319.08484	4.3
456.08365	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	510.3554
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05515	0.9
57.07058	1.2
58.63648	1.0
60.08155	8.2
60.70652	1.1
71.07355	3.9
79.94006	1.0
81.07023	1.0
81.95512	1.1
82.51463	1.0
86.09695	37.5
89.08730	1.2
98.98457	3.4
104.10756	3.3
118.27826	1.4
124.99999	20.3
163.63814	1.1
184.07324	100.0
259.45740	1.2
479.28290	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	510.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26404	0.7
56.05016	1.2
57.07053	3.6
58.06601	1.5
60.07858	1.2
60.08157	17.0
67.05501	0.9
69.07059	1.1
71.02343	0.8
71.07368	8.0
71.08607	1.6
81.07047	1.3
83.08616	1.0
85.06524	1.0
85.10134	0.9
85.67484	0.9
86.09693	53.1
87.78048	1.0
88.91216	1.0
95.08573	1.3
98.98444	2.3
102.07493	0.9
104.10736	100.0
110.93475	0.8
124.99986	23.2
166.02690	0.9
174.73465	1.0
184.07324	70.2
327.29050	1.6
411.92081	1.2
461.88309	1.3
492.34555	5.5
510.35529	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	510.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06849	10.3
57.07063	93.6
59.89726	12.8
61.02912	15.3
67.05491	20.2
69.07070	15.9
71.08613	44.6
81.07039	53.8
83.08610	38.6
85.10167	47.2
95.08595	63.5
97.37478	14.2
109.10147	22.7
115.80750	15.4
136.10214	14.8
159.19949	15.4
239.23763	50.2
313.27310	100.0
401.29022	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	510.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99540	3.5
55.74762	3.9
56.65725	4.0
57.07066	33.7
59.22766	3.7
71.08617	26.0
85.10179	18.0
89.06018	100.0
89.06539	7.6
91.71001	7.5
97.78910	4.9
100.31205	4.8
104.52593	4.8
130.08638	35.1
133.08589	76.5
148.90851	5.2
177.11156	24.8
255.70430	6.3
283.17548	52.2
502.95380	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	510.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21566	1.6
51.85681	1.4
55.05501	2.9
55.10024	1.9
57.06804	3.6
57.07066	45.6
58.22812	1.5
67.29723	1.5
68.75036	1.7
69.07055	6.0
71.08615	42.6
73.06536	6.8
79.25051	1.8
83.08590	6.9
85.10156	21.2
87.04449	4.3
89.06019	100.0
91.71642	4.5
93.24043	1.8
97.10149	5.0
97.31805	2.0
107.07037	2.4
111.11715	4.0
117.09121	2.4
130.08617	22.1
130.09447	2.5
133.08591	50.5
151.06580	2.4
151.81433	2.0
177.11208	18.4
195.12273	2.7
216.37352	2.4
227.66199	2.0
235.00414	2.2
283.17554	11.4
299.29440	5.7
493.40909	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	511.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91574	3.0
54.17617	2.9
56.02695	2.8
64.71715	2.9
65.36495	3.3
70.21982	3.2
76.98735	3.2
118.03563	7.1
119.01906	4.9
141.05095	12.4
142.03500	8.5
143.01956	6.2
143.06635	8.1
149.11876	4.0
161.02931	4.7
161.07698	9.4
165.05107	5.3
182.07782	8.7
184.04555	10.7
184.09363	13.1
185.02945	7.5
187.05687	22.0
196.04530	10.5
197.02916	5.7
199.44415	4.5
205.06714	13.0
208.04510	6.5
210.07240	45.2
211.05667	9.4
220.59395	3.9
228.08353	8.7
229.06721	100.0
241.06679	21.4
245.05141	24.9
251.10057	5.1
252.08284	3.9
253.06705	6.2
259.07779	5.2
270.09406	7.1
286.07977	4.8
289.08737	15.2
323.51993	5.6
331.09811	22.7
349.10873	13.8
446.41165	5.2
511.16006	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	511.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84594	4.0
60.88964	3.9
64.76918	4.9
69.03420	11.1
85.02882	6.7
91.22050	4.9
97.02897	9.0
108.12747	4.4
115.03935	7.7
115.07605	5.9
121.10102	6.0
124.70247	4.8
155.24190	5.7
167.17285	5.2
181.12331	14.6
182.12610	7.5
511.17822	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38642	1.5
63.38009	1.4
94.04176	2.2
122.03672	3.1
131.93983	2.0
137.05966	100.0
163.07579	1.8
181.08649	5.1
241.45181	1.9
265.53741	2.0
329.95291	2.3
350.69879	2.0
357.29916	1.9
412.99158	2.0
512.43353	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	511.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	1.0
79.05499	1.1
81.07051	1.7
91.05466	7.5
91.71666	1.0
94.04166	3.7
95.04964	1.9
95.08611	1.1
102.75330	0.9
103.05463	3.6
105.07025	2.7
107.04953	1.5
109.06540	1.1
112.78078	1.0
119.04926	4.2
122.03650	9.9
125.83186	1.1
128.06177	2.3
129.06956	1.5
131.04924	5.3
133.06503	1.5
135.08058	1.4
137.05969	100.0
143.08551	1.8
145.06502	1.5
146.03654	2.0
149.06009	2.6
151.07532	22.3
161.05978	3.8
163.07530	12.0
165.06969	4.4
167.08566	2.3
171.08012	1.4
174.06755	1.1
175.07524	2.5
182.07347	1.6
187.07565	1.6
189.09106	4.0
193.06569	2.9
195.08067	3.0
201.09077	1.5
202.07863	1.2
203.10660	3.6
210.06732	3.0
221.06004	2.4
223.07651	2.0
224.08292	2.1
225.09123	2.8
227.10670	3.9
252.07948	1.2
253.08662	3.2
255.10220	3.9
267.09949	2.5
285.11151	7.6
287.12735	9.5
313.14139	2.6
351.15955	4.4
355.20261	1.2
415.18781	1.4
443.18680	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	511.2694
Annotation	Applanoxidic acid F
Peak:m/z	Relative Intensity
53.36782	14.4
56.21752	14.3
57.07064	100.0
61.43735	14.4
63.72781	16.4
66.91315	17.1
67.78519	17.4
71.08609	27.6
73.72386	18.6
85.06530	38.1
89.06014	72.5
91.05445	30.6
95.04957	17.7
118.14623	17.6
133.08574	29.7
140.39783	20.5
145.06500	32.1
227.78667	20.7
227.81287	19.6
229.12271	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51988	2.9
59.27307	3.2
66.28494	3.0
69.03418	5.6
69.10489	3.5
85.02884	19.6
91.05472	3.9
97.02877	5.7
105.07016	13.8
107.04955	43.5
118.06518	3.9
121.06514	6.5
137.05998	6.2
140.08073	3.7
143.23235	3.9
145.04866	4.7
146.06039	9.9
147.56476	3.8
165.07024	8.0
181.06354	5.6
183.08102	17.8
191.03317	4.6
193.13580	4.3
211.07515	18.8
237.05698	3.8
243.10046	8.9
269.08060	48.3
287.09109	100.0
303.60870	4.0
315.08591	12.5
471.98312	4.2
487.73007	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	512.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67583	5.6
53.00287	6.8
53.03933	10.7
55.05498	6.9
57.06839	9.1
57.07064	100.0
62.07521	5.9
66.56598	6.3
67.05495	8.8
67.60967	6.2
69.07042	10.4
70.06581	23.9
71.08620	16.4
81.07037	11.2
83.04961	40.6
85.06541	31.6
85.10157	9.2
88.07631	27.0
89.06013	34.4
91.05499	12.0
95.04975	24.4
95.08590	14.0
102.09190	14.6
105.07056	10.9
110.70020	6.3
117.07021	7.6
121.06509	20.8
133.08588	17.6
135.04402	29.9
137.09592	15.4
145.06549	9.2
159.08014	12.0
171.08054	7.1
187.07562	8.9
227.10870	10.9
229.12215	10.4
243.13867	16.7
256.26294	58.6
283.26337	46.3
327.20148	12.6
355.22614	10.9
375.19580	13.8
425.31531	9.1
459.25204	59.5
508.58850	9.0
512.50317	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	512.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06806	5.9
57.07068	86.2
59.04982	3.6
69.07038	5.7
71.08614	15.7
76.60610	3.6
79.05496	7.3
83.05003	3.7
85.06538	26.1
85.10172	10.5
89.06026	97.8
91.05480	12.6
93.07059	4.9
95.04953	10.7
95.08602	9.3
107.04958	6.5
117.07021	12.2
125.09586	5.1
130.08643	22.5
131.08607	6.9
133.08604	64.4
135.04463	7.9
137.09602	10.7
145.06509	14.6
151.07442	4.3
151.09570	4.4
159.08055	20.9
168.05582	4.2
175.11253	6.7
177.11232	15.3
185.84818	4.5
187.11154	5.0
201.12714	17.5
215.14215	7.2
229.12215	100.0
243.13832	13.5
247.13310	7.3
249.11150	5.8
261.14752	22.6
309.61026	4.2
317.69806	4.4
327.20117	31.2
351.27417	4.6
375.19739	5.9
382.61880	4.3
431.25485	6.8
439.30939	4.7
459.25165	14.4
477.26190	39.5
493.54898	4.7
495.38950	6.2
512.50708	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	512.337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.2
57.07069	23.6
66.66428	1.1
67.05494	9.4
67.05782	1.3
68.78876	1.2
69.03413	3.1
69.07043	4.2
69.47031	1.1
70.06574	6.0
71.08623	3.9
71.71197	1.2
74.35220	1.5
75.62957	1.3
76.45267	1.6
79.05482	2.3
81.07047	6.6
83.04968	3.2
83.59150	1.2
85.06525	6.2
85.64482	1.2
88.07626	7.1
89.06007	8.7
91.05457	2.4
93.07024	2.1
95.04995	2.4
95.08604	2.8
97.06527	2.3
102.09179	5.0
105.07013	4.1
107.08582	1.7
109.06502	1.6
109.10162	11.2
111.04428	1.5
119.08595	2.5
121.06445	1.7
121.10150	1.8
123.08083	2.6
126.57835	1.5
130.08604	2.3
131.08546	4.5
133.06474	1.9
133.08614	4.1
135.08051	1.5
137.05907	1.7
137.09622	1.7
144.09402	2.2
145.06470	3.6
145.10170	1.8
157.10172	3.5
159.08073	3.2
159.11713	4.8
165.12743	10.3
169.10118	11.3
177.11237	1.8
177.12743	3.6
187.11234	6.9
187.14801	3.0
197.09718	2.9
201.12764	5.1
202.96428	1.4
203.14285	1.6
205.12288	3.3
215.14342	1.7
243.17410	17.3
247.16966	7.3
253.15927	4.8
256.26297	15.9
261.18582	2.9
271.16891	12.2
283.26227	15.3
289.17947	100.0
290.18317	3.7
327.20093	2.8
338.01227	1.7
370.99988	1.9
439.25217	1.8
512.50336	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	512.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	80.9
69.07053	8.5
71.08618	72.1
73.06547	4.4
81.67451	3.7
85.10164	30.9
86.91276	3.8
89.06018	100.0
97.10166	5.2
97.22668	3.6
99.11711	5.6
100.69897	3.5
101.33716	4.9
102.56001	3.7
112.92166	3.5
123.10946	4.5
130.08661	18.8
133.08600	65.1
169.33235	4.3
177.11191	15.7
196.79036	4.7
249.57684	4.2
254.24780	5.8
257.24890	5.8
301.27377	6.3
327.20166	28.1
341.29169	4.7
495.38950	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82146	3.1
53.26665	3.2
54.57664	3.1
57.07068	36.4
69.07037	4.3
70.06573	20.1
71.08618	13.4
85.10149	8.0
88.07624	33.4
89.06034	24.7
91.71601	6.1
95.08578	6.4
100.40807	3.8
102.09172	17.6
107.84094	3.7
108.05475	3.7
125.60702	3.8
130.08617	6.1
133.08604	16.4
143.76904	4.1
145.16693	5.1
177.11220	5.3
206.74202	4.7
228.23244	6.0
256.26358	55.1
267.83331	5.2
283.26321	60.7
325.35321	4.5
327.20087	10.1
337.51279	4.4
377.54544	5.6
512.50323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47232	2.5
57.07070	24.6
58.06562	2.9
63.89928	2.2
67.05493	4.4
68.83102	2.3
69.07072	4.0
70.06584	27.2
71.08628	15.1
73.02915	3.4
81.07062	3.0
83.08621	3.1
85.10178	9.0
88.07616	30.1
89.06019	19.9
95.08585	6.0
102.09178	23.8
109.10165	3.6
130.08675	7.4
133.08531	15.7
134.46228	3.0
147.51874	3.0
148.78584	2.6
148.87413	3.0
152.91356	2.6
177.11298	3.6
228.23213	5.3
256.26340	56.5
274.27435	4.0
283.26248	59.5
311.29489	6.6
327.19983	7.0
370.74783	3.6
512.50348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29149	1.7
52.66265	1.8
55.05494	3.0
57.07065	25.7
58.06587	3.0
62.72989	1.8
63.45317	2.0
66.35391	1.7
66.68658	2.0
67.05488	3.1
69.07043	3.2
70.06580	24.7
71.08624	12.7
81.07053	3.8
83.08593	4.2
85.10169	6.8
88.07620	29.4
91.71111	2.8
92.44067	2.7
94.80442	2.4
94.88771	2.1
95.08608	3.7
102.09155	18.4
178.81531	2.1
217.87259	2.1
228.23320	3.8
234.94991	2.9
256.26337	56.6
274.27554	5.2
283.26276	52.5
367.02872	2.6
471.23566	6.2
512.50336	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88240	1.1
52.29396	1.2
53.69819	1.2
56.05030	6.8
58.06599	4.3
60.05646	7.8
64.22410	1.2
69.00915	1.4
70.06585	34.1
70.06937	2.3
72.70132	1.5
74.06094	4.8
75.98650	1.4
85.02943	1.5
86.03569	6.0
118.47874	1.5
129.10237	36.5
129.11136	2.1
132.08066	10.3
150.05537	6.6
155.07053	1.7
155.08099	7.3
155.68462	1.4
158.06009	2.7
176.07051	14.3
207.11423	2.4
217.09793	2.2
230.12953	3.5
235.10912	2.5
248.13922	100.0
249.12260	7.6
266.14984	43.0
266.17700	2.6
280.88605	1.5
330.69711	1.9
410.19193	15.4
428.20160	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	513.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64999	2.1
55.05510	2.4
57.07057	10.6
62.27689	2.6
69.07056	2.5
70.06581	7.6
71.08603	6.2
83.08620	2.8
88.07647	7.3
89.06017	7.8
96.53613	2.7
99.82333	2.6
100.18313	2.6
102.09190	6.7
104.33549	2.5
133.08594	5.6
189.03006	2.8
200.51466	3.3
256.26413	11.1
267.09897	100.0
283.26376	9.8
284.26782	3.5
285.10999	4.2
291.71835	3.3
308.12598	31.4
309.12680	3.6
327.20294	4.3
438.30804	3.2
512.50293	15.7
513.50525	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	513.2672
Annotation	Curcumanggoside
Peak:m/z	Relative Intensity
51.15214	2.3
51.38713	2.2
56.88845	2.3
58.77442	2.6
81.03419	3.6
81.07043	4.2
86.09698	4.3
91.30450	3.0
95.65883	2.7
99.73977	2.9
112.09850	2.5
115.86716	3.2
120.08121	4.5
143.79695	2.9
146.82033	3.3
176.39091	3.3
217.65295	3.2
223.03264	3.2
294.91464	4.0
510.69620	4.2
513.26721	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	26.3
70.06622	7.4
71.08612	10.7
79.05506	11.5
81.07046	12.3
88.07605	12.5
89.06003	18.0
91.05444	10.7
98.51515	7.8
101.83954	8.4
102.02686	9.0
103.05461	34.9
105.04964	7.7
111.09790	8.1
111.62240	8.4
116.89348	9.2
117.04310	8.1
131.04935	82.2
133.08597	16.3
163.07642	10.5
185.05762	14.8
256.26236	11.7
269.64706	11.4
351.21329	100.0
388.87256	10.5
512.50531	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	513.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47945	2.1
53.03942	48.4
53.04173	3.9
53.80706	1.9
55.83322	2.5
57.07069	31.3
63.81513	1.9
65.09158	2.0
67.05523	5.5
69.07072	4.4
79.05472	6.7
81.03408	56.5
81.07058	6.4
83.05001	4.1
84.00362	2.5
85.06534	14.5
89.06025	32.4
89.06454	2.8
91.05462	18.6
92.24252	2.4
93.07017	5.2
94.06562	2.8
95.04948	12.8
100.36718	2.3
105.07063	11.9
107.04981	10.5
107.08619	3.1
112.45525	2.3
113.67517	2.9
117.07051	8.1
119.04976	5.3
119.08617	6.5
121.06511	4.9
123.04478	3.5
129.07047	7.4
130.08662	6.5
131.08560	4.5
133.06551	6.5
133.08589	23.0
135.08055	6.3
137.09592	16.9
145.06520	11.4
147.08057	18.0
151.07626	8.3
157.10178	4.1
161.06042	3.3
163.07549	27.8
175.11185	24.8
177.11229	5.3
189.12794	3.4
199.44034	2.6
203.10675	28.3
203.14407	9.0
217.12117	3.0
219.13878	3.8
229.12350	7.5
231.13768	100.0
247.13252	32.0
249.14981	11.3
265.14465	8.0
315.78763	2.9
327.20300	9.9
328.20554	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	513.2828
Annotation	Ganoderic acid E
Peak:m/z	Relative Intensity
51.46727	16.1
51.91450	18.8
52.52273	16.5
53.51099	15.3
54.14442	16.8
57.07058	22.2
62.81957	23.9
64.72410	18.0
79.31728	21.2
98.35853	21.5
102.31551	27.0
117.91640	23.4
121.06528	47.4
127.01717	25.8
136.13991	23.1
157.20485	24.4
168.59222	27.6
176.11113	26.0
305.77045	36.8
513.28009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23139	3.5
53.03942	43.7
53.27663	3.2
54.45797	3.3
55.01862	5.3
56.01459	4.4
57.07070	51.7
59.04993	5.2
60.55162	3.7
67.05499	7.4
69.07075	11.8
70.06595	12.6
71.08633	6.8
75.44593	4.1
79.05499	26.6
81.03402	39.7
81.07070	21.7
85.06560	16.9
88.07652	14.4
89.06060	12.6
91.05479	38.9
95.04995	11.9
95.08623	11.7
97.02902	8.2
102.09216	9.3
102.71751	4.1
103.05506	4.9
105.07031	22.7
107.04971	29.4
107.08638	4.7
111.50546	4.2
117.07059	15.8
119.04964	5.3
119.08542	24.9
129.07051	5.2
131.08577	7.6
132.08055	5.1
133.06519	6.2
133.08662	6.2
135.08139	5.1
137.09602	39.4
143.08607	16.1
145.06522	10.3
145.10141	6.4
147.08104	16.4
154.29538	4.8
161.06038	7.8
161.09706	4.3
163.07538	26.1
175.11218	27.5
177.63477	4.9
203.10597	21.1
203.14301	88.0
205.12300	8.1
219.13785	10.5
231.13788	100.0
247.13412	17.6
249.14818	27.0
256.26309	26.8
257.26724	5.2
263.22839	5.6
265.14429	14.0
278.86230	5.0
283.26157	31.0
353.36755	5.6
375.87650	6.1
503.35992	5.5
512.50342	39.3
513.50537	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	513.303
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
51.49391	2.0
56.95034	2.0
57.07058	3.4
91.05477	3.0
91.71733	3.5
92.56599	2.2
94.56885	2.1
105.07011	2.6
114.58187	2.4
126.10517	2.6
128.20346	2.5
154.48018	2.8
170.39702	2.7
237.71954	2.4
248.82333	3.0
440.66187	2.8
451.13406	2.8
513.30347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49391	2.0
56.95034	2.0
57.07058	3.4
91.05477	3.0
91.71733	3.5
92.56599	2.2
94.56885	2.1
105.07011	2.6
114.58187	2.4
126.10517	2.6
128.20346	2.5
154.48018	2.8
170.39702	2.7
237.71954	2.4
248.82333	3.0
440.66187	2.8
451.13406	2.8
513.30347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	20.7
57.03421	11.4
57.21469	4.3
61.02917	11.3
67.05503	41.5
69.03442	9.3
69.07055	17.0
71.04961	5.6
73.02911	4.5
79.05482	39.0
81.07050	53.0
85.02905	19.2
91.05466	46.7
91.71671	9.5
93.07040	74.6
95.04953	11.1
95.08608	41.8
97.02880	9.6
99.08740	5.5
105.07028	43.8
107.08603	45.8
109.06483	4.8
109.10172	12.1
117.07021	11.7
119.08568	42.1
121.10139	25.1
123.11703	6.1
129.06972	8.7
131.08575	21.9
133.10130	35.1
135.11699	37.1
143.08565	8.7
145.05089	4.9
145.10146	19.4
147.11687	37.9
149.13249	24.4
157.10098	10.2
159.07986	4.6
159.11699	19.3
161.13254	29.1
163.14819	6.2
171.11682	8.3
173.13338	8.4
175.14786	8.8
185.13235	11.5
199.14862	10.3
241.19530	32.3
259.20535	58.0
277.21649	8.3
277.68646	5.7
351.25327	100.0
495.28989	8.4
500.93185	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	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	11.8
57.03423	11.6
57.07065	8.1
61.02905	20.9
65.93027	5.5
67.05496	46.9
68.61911	4.7
69.03421	6.8
69.07058	17.5
73.02899	8.1
75.41687	4.6
79.05472	52.1
81.03398	6.1
81.07051	53.1
83.08601	12.2
85.02900	19.1
91.03940	6.6
91.05465	60.8
93.07034	68.8
95.04961	7.9
95.08598	34.9
97.02873	12.6
105.07033	46.0
107.08587	46.5
109.10140	16.4
117.07019	15.3
119.08566	49.2
121.10132	40.8
129.06996	12.6
131.08496	26.7
133.10136	41.0
135.11726	35.6
143.08569	16.1
145.10112	25.5
147.11655	33.6
149.13261	17.8
153.93607	7.6
157.10040	8.5
159.11679	12.5
161.13258	36.9
163.14783	11.9
171.11670	17.1
173.13229	13.7
175.14830	17.9
185.13321	11.1
201.48860	6.1
221.51401	5.7
231.21147	9.7
241.19560	21.2
243.19151	7.2
259.20618	65.5
277.21683	12.4
319.74905	6.5
333.24353	9.4
347.03317	5.5
351.25214	100.0
494.80927	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	513.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.5
55.05512	18.0
57.03412	7.1
61.02928	13.1
62.31262	5.3
67.05499	82.2
69.03433	16.6
69.07072	28.4
79.05484	56.2
81.03432	15.1
81.07037	65.2
83.05035	8.5
83.08616	12.8
85.02908	30.1
91.05478	95.6
93.07032	84.7
95.04993	20.1
95.08596	48.5
97.02908	19.6
99.08138	8.7
99.21615	6.7
101.47385	7.2
105.06381	14.1
105.07026	100.0
107.08575	45.2
109.10168	17.1
117.07043	27.0
119.08566	78.1
121.10110	37.9
127.03907	7.9
129.07039	13.9
131.08530	54.9
133.10124	69.6
135.11681	38.1
143.08521	15.8
145.10176	29.5
147.11685	47.2
149.13261	18.6
155.08714	8.6
157.10141	18.7
159.11760	23.9
161.09657	8.0
161.13335	24.2
163.14832	8.9
169.10190	11.2
171.11736	22.5
173.13307	19.9
175.14835	17.2
176.17148	7.7
176.64436	8.9
180.53639	8.4
185.13451	11.9
197.13344	8.4
241.19547	19.2
257.19077	16.3
259.20526	66.8
271.20657	10.8
301.21658	13.3
333.82901	10.6
336.82608	9.5
351.25208	90.2
367.22842	12.3
403.24866	25.3
421.25903	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	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51769	6.7
55.05503	19.3
57.03425	18.0
61.02918	26.7
64.10959	6.8
67.05492	48.7
69.03437	10.9
69.07060	22.7
71.04964	9.1
73.02979	8.1
75.48416	7.1
79.05486	56.1
81.07047	63.0
83.08604	11.2
85.02914	23.7
91.03938	12.1
91.05486	57.5
93.07034	85.1
93.07483	7.7
95.04974	18.5
95.08603	37.8
97.02911	12.1
105.07043	61.4
107.08575	52.6
109.10162	16.7
116.09660	8.3
117.07024	22.6
119.08568	58.6
121.10139	45.9
129.07039	7.9
131.08585	28.5
133.10133	51.3
134.11679	7.8
135.11720	41.6
143.08565	18.9
145.10138	34.8
147.11728	34.6
149.13324	22.2
157.10098	12.6
159.11678	14.4
161.13275	35.0
171.11629	16.6
173.13254	21.6
175.14827	16.8
185.13234	10.3
204.25769	11.0
208.68275	9.7
211.02487	9.9
241.19548	30.7
259.20569	62.7
333.24399	10.2
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	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34258	5.8
52.40919	5.7
53.80244	5.7
55.01865	8.2
55.05513	31.3
56.96705	5.1
65.03968	8.3
67.05496	100.0
69.03440	29.4
69.07074	15.5
70.04617	7.7
71.01350	7.1
73.02935	9.4
78.69509	6.9
79.05489	39.8
81.03424	35.2
81.07050	98.7
83.04996	24.8
83.08642	11.4
85.02924	27.8
91.05511	36.0
93.07046	65.4
93.07473	6.0
95.04995	19.8
95.08587	67.6
96.44833	7.9
97.02872	69.9
97.36492	7.4
105.07064	28.0
107.08588	41.9
109.02869	38.0
109.10143	37.2
111.04471	29.9
111.71220	7.0
117.07092	7.7
119.08649	20.2
121.10185	32.9
123.04460	10.9
123.11729	15.7
125.02394	9.8
127.03916	51.5
131.08603	28.4
133.10179	10.6
135.04376	8.6
135.11731	29.9
139.03931	17.6
145.10196	17.6
147.11736	16.2
147.99017	7.8
149.13290	18.0
153.05539	9.7
159.11731	17.9
161.13368	8.1
162.09073	7.9
163.14900	12.6
173.13232	13.1
243.21198	24.1
261.22101	59.5
388.02249	8.4
459.27603	14.6
495.29462	24.5
513.29175	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25505	5.5
59.28433	5.8
69.46629	7.3
70.06599	13.9
70.43250	6.2
81.49174	6.9
84.15975	7.4
102.71889	7.5
139.03931	9.3
161.02542	8.0
188.37317	6.9
260.07016	8.4
272.99948	8.0
410.78909	9.3
514.14374	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81084	0.4
55.01866	0.5
56.97115	0.4
64.42288	0.4
69.03397	0.7
77.49843	0.5
81.03403	0.5
85.02903	2.4
91.05482	0.7
94.04166	0.7
97.02879	0.7
99.45103	0.4
100.85413	0.5
108.92210	0.4
109.02897	0.4
118.21623	0.5
122.02824	0.4
122.03587	2.5
129.72815	0.5
131.04889	0.7
137.02347	21.2
137.05968	100.0
138.06317	0.7
163.07550	2.0
181.08572	7.3
267.50842	0.5
317.10153	11.2
409.35596	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50825	1.3
59.59790	1.8
67.92265	1.7
69.65588	1.6
82.37480	1.7
91.05466	5.8
93.07047	7.2
95.04949	4.1
98.31155	2.0
103.05480	3.4
111.68269	2.3
121.06497	100.0
166.12253	77.2
166.13632	4.3
172.95253	2.6
466.62903	2.2
492.65527	2.5
496.20822	3.1
513.22168	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	514.301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94346	1.5
55.05504	3.5
59.77889	1.5
67.05503	4.6
69.07077	3.2
70.06587	4.0
72.08167	2.2
77.98495	2.0
78.33866	1.9
79.05511	2.9
81.07046	13.5
81.45501	1.8
85.02923	3.4
91.05493	4.9
93.07054	6.0
95.08622	6.3
105.07065	9.4
107.08620	7.7
109.06568	1.8
109.10214	2.8
119.08621	7.4
119.31001	1.9
121.06509	4.3
121.10184	3.7
129.07077	2.7
130.15657	2.0
131.08623	6.1
135.08089	1.9
139.94685	2.0
141.07129	3.0
143.08652	2.0
145.10187	5.5
147.11650	2.0
155.08665	3.4
157.10139	5.6
159.11751	5.8
159.78375	2.6
166.95607	2.0
169.10223	5.1
173.13280	3.9
181.10091	2.4
183.11771	3.1
194.45911	2.0
197.13286	6.1
201.12836	2.0
207.11713	2.7
211.15015	2.4
225.12790	2.4
250.68694	2.4
253.19603	2.7
256.60355	2.0
263.18115	6.1
266.09555	2.6
271.48770	2.0
281.19034	11.3
297.52866	2.5
299.20035	100.0
300.20566	2.3
374.20822	2.2
486.10229	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30135	4.9
52.51954	7.6
55.54045	5.7
59.04984	5.7
62.03328	6.3
67.05495	9.4
81.07067	6.4
83.04964	7.0
91.71700	15.5
93.07033	7.6
96.52773	6.8
109.10173	12.2
123.08058	15.1
125.51216	6.9
131.08524	10.7
134.79103	6.6
145.15736	7.0
159.08025	9.0
162.27296	6.6
181.64046	7.0
195.21306	7.0
229.12129	9.8
247.13303	100.0
287.16354	14.0
305.17426	20.6
339.88989	8.1
360.47852	10.8
449.86465	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	514.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	4.4
57.06805	6.4
57.07070	100.0
57.54436	4.2
61.96641	4.6
64.32634	4.3
67.05476	5.2
79.05492	16.0
81.07024	11.6
83.04964	5.8
85.06552	26.1
91.05477	40.4
93.07060	6.0
95.04972	6.1
96.57964	4.2
105.07043	12.9
107.04927	11.8
115.05455	7.0
117.07009	20.6
119.04951	14.3
119.08634	6.0
129.07042	7.9
131.08588	7.0
135.32135	5.3
137.09612	15.0
142.07774	6.7
143.08589	22.7
145.06516	9.2
151.11189	8.1
155.11821	5.5
167.08650	6.6
171.08020	7.3
175.11177	13.1
185.09735	8.1
189.12862	6.1
201.12793	13.1
227.14288	30.3
229.12262	15.5
251.14281	6.8
273.16364	7.5
319.16879	8.3
359.20044	16.2
415.26300	12.6
443.25632	11.9
461.26938	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44995	2.7
55.97885	2.7
56.55168	2.8
57.07064	14.0
59.03579	3.1
62.72422	3.4
68.58564	3.4
69.03428	9.9
76.41209	3.3
79.05463	3.7
85.06532	4.8
87.34241	3.7
90.14616	3.5
91.05470	4.3
93.07035	4.8
95.04968	17.2
95.08584	6.8
97.02885	54.1
100.87262	3.4
105.07014	4.3
109.06496	6.5
113.37355	3.5
121.61719	3.3
123.04424	7.5
126.29823	4.3
131.08566	7.3
137.09663	8.5
146.19525	3.7
151.11174	66.5
158.10426	3.8
163.07516	5.9
164.13818	3.6
187.11263	4.9
222.44905	3.9
233.15369	7.9
247.13280	100.0
288.65332	4.1
437.94946	4.9
509.91760	4.6
537.29797	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	514.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	11.0
57.03386	2.1
57.07068	3.9
67.05494	52.3
69.07056	6.0
71.04965	3.0
71.08627	2.2
79.05504	15.4
81.07046	50.4
81.07526	2.9
83.04958	5.1
83.08607	8.0
85.06519	2.5
86.57437	2.4
91.05474	26.8
91.71624	4.6
93.07027	30.4
95.04929	6.1
95.08593	45.4
95.09156	3.9
97.06536	3.6
98.15742	2.6
105.07037	11.7
107.08602	15.9
108.20028	2.5
109.10149	16.3
111.08102	6.1
117.07018	3.5
118.06489	2.3
119.04937	29.3
119.08556	13.0
120.99722	3.0
121.10129	19.8
123.11671	6.0
131.08557	7.2
133.10098	11.4
135.11676	12.3
137.09613	3.6
145.10118	4.6
147.04401	100.0
147.11696	6.5
149.13226	8.4
159.11682	4.6
161.13216	4.7
163.14709	2.7
165.05406	4.6
175.14816	4.7
243.94759	2.3
264.11337	2.5
287.27408	4.9
297.25778	9.3
315.26822	30.1
333.27850	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	514.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	8.4
57.07070	2.4
65.03918	1.7
67.05494	48.2
69.07061	13.4
71.04980	3.1
79.05481	13.2
81.06597	3.2
81.07049	44.8
83.04973	7.2
83.08610	6.5
83.88925	2.0
85.06525	3.8
91.05476	23.3
93.07035	25.4
95.04966	3.6
95.08603	37.9
97.06535	4.2
97.10154	3.0
105.07017	14.5
107.08578	14.5
109.06501	2.2
109.10159	16.2
111.08125	3.3
114.97395	1.8
117.07031	2.3
118.15228	2.0
119.04935	24.7
119.08558	13.3
121.10148	15.6
123.11695	5.1
131.08583	5.8
133.10109	12.6
135.11687	10.2
137.13235	2.3
145.10139	5.7
147.04401	100.0
147.11714	6.8
148.17500	1.8
149.13286	4.5
161.13235	6.8
165.05524	4.0
171.11723	2.6
175.14810	4.9
231.89999	2.1
315.26770	28.5
333.27899	28.0
534.31769	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	514.395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	46.5
64.73742	4.8
69.07043	7.8
71.08620	47.5
71.40586	4.6
73.06548	6.7
74.57854	5.4
77.55111	5.3
79.05488	6.3
81.07053	5.8
85.06565	6.3
85.10172	28.9
87.04448	6.0
89.06021	100.0
89.06537	8.1
91.05501	6.1
95.08583	6.5
101.78693	5.4
105.07115	5.4
117.09104	7.1
120.87047	5.8
130.08662	25.4
131.08565	7.9
133.08615	40.0
147.08076	7.0
177.11252	24.7
212.20107	6.9
215.20148	9.7
259.22668	7.8
325.54230	7.6
346.82529	6.9
420.31577	6.1
435.44339	6.8
497.37363	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	515.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72795	2.6
74.85033	3.1
85.02945	3.7
118.23193	2.9
268.41309	3.5
515.20978	100.0
534.71008	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	515.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22194	4.0
56.07997	4.8
56.61674	4.5
56.96556	56.6
65.04621	4.7
70.50935	4.9
81.07041	10.2
92.00575	5.6
98.97574	36.6
116.98631	26.5
123.23531	5.9
134.99649	18.1
140.00156	32.9
147.04378	5.4
150.60999	5.2
158.01237	33.6
181.02861	32.3
184.92867	6.8
187.02676	6.0
195.03316	10.5
199.08975	6.4
210.67688	6.3
213.04399	16.1
236.05890	21.1
237.71341	6.3
239.02283	24.8
240.20686	6.2
241.06445	9.8
241.13480	6.2
244.02664	7.6
246.31743	6.5
247.99182	6.5
257.03375	30.1
259.07526	11.2
262.03845	36.9
280.04868	14.4
285.05453	36.4
303.06641	14.2
307.15747	14.5
309.17368	55.7
351.18353	78.6
352.19299	6.1
387.49615	7.1
455.21045	100.0
462.47903	6.4
496.23425	12.0
515.23132	70.3
535.32056	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	515.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	10.4
57.07073	100.0
67.05488	28.5
68.42058	9.7
72.45434	10.3
72.57783	8.8
81.03417	15.4
81.07039	13.0
83.04972	24.9
85.06535	32.4
91.05460	19.7
95.04955	19.0
95.38310	12.0
101.10806	11.3
105.07014	21.3
107.04965	17.9
109.10155	12.6
117.07037	16.8
119.04913	16.8
119.08561	11.9
121.06532	12.6
131.08615	15.4
136.57956	12.3
137.09650	15.9
147.08075	12.9
152.88643	12.4
157.06381	12.9
212.92441	12.4
231.13806	14.4
250.73657	11.5
277.37411	13.3
443.25882	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	515.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	23.1
55.05492	3.4
56.17916	1.8
57.07067	26.2
58.34944	2.0
58.83382	2.1
67.05479	9.6
69.07062	3.6
73.13618	2.5
79.05468	12.4
81.03405	34.1
81.07049	10.1
84.58647	2.1
85.06532	13.8
91.05471	25.8
93.07027	4.8
95.04967	14.6
95.08643	3.2
97.06570	2.4
105.03372	4.8
105.07023	15.3
107.04937	8.6
117.07015	5.7
119.04967	5.0
119.08557	7.9
125.09515	2.7
129.06989	7.7
131.08574	8.2
133.06499	4.3
137.09595	19.7
143.08562	4.7
145.06464	5.9
147.08037	14.5
151.11171	4.1
153.09006	2.8
163.11235	5.2
165.57208	2.5
175.11212	7.7
177.12505	3.4
187.11121	18.2
189.12756	10.0
200.83638	2.4
201.12726	5.7
203.14247	14.3
205.12224	3.8
215.14301	9.6
231.13766	100.0
232.13904	3.0
233.15358	6.0
245.56584	2.8
249.14839	19.7
249.95622	3.1
261.36877	2.5
267.16074	4.0
410.68683	3.2
497.17352	5.5
515.23779	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	515.3005
Annotation	fijianolide A
Peak:m/z	Relative Intensity
52.91855	1.9
53.03714	2.7
53.03941	31.5
57.07071	24.2
62.14165	2.3
67.05487	9.5
67.86319	2.4
69.03414	3.3
70.88042	2.6
77.42604	2.6
79.05473	11.0
81.03410	39.8
81.07044	8.0
83.04948	3.5
85.06534	10.9
87.97122	3.1
91.05457	28.2
91.71016	4.1
93.07027	6.9
95.04973	15.3
105.07029	9.3
107.04955	7.3
107.08653	3.0
109.06548	3.2
109.10089	2.6
117.07001	9.4
119.04926	6.4
119.08559	9.3
121.06464	2.7
129.06992	7.8
131.08521	6.8
133.06459	3.9
134.42474	2.8
135.08087	3.9
137.09599	14.8
142.64740	2.8
143.08545	3.4
145.06467	7.9
147.08102	17.8
151.11151	3.0
163.11162	3.2
175.11116	14.3
187.11159	13.2
189.12758	8.3
191.10532	3.2
201.12675	13.5
203.14333	8.6
205.12273	3.9
206.65385	3.2
219.13860	4.1
231.13779	100.0
232.14127	2.9
233.15382	3.5
247.13283	8.9
249.14880	26.2
267.15921	4.5
317.20380	2.9
450.51816	2.9
497.22672	6.1
515.23743	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	515.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	3.5
56.43752	2.3
57.07066	41.3
59.04991	2.0
59.06106	11.9
67.05490	7.4
69.07064	4.9
79.05491	12.4
81.07040	7.4
83.04953	2.4
85.06535	17.7
91.05466	18.6
93.07020	5.6
95.04966	9.0
95.08569	5.1
103.20029	2.3
105.07015	23.2
106.18212	2.4
107.04923	3.0
109.06473	2.6
111.13545	2.6
117.07021	12.1
119.08571	29.0
125.09523	3.4
128.06183	12.8
129.06999	9.2
131.08543	2.5
133.06502	3.8
133.87982	2.6
135.04417	5.6
137.09621	12.7
143.08542	20.1
145.06468	11.2
145.10141	3.7
145.88362	2.5
147.08026	31.9
157.06467	2.8
157.10124	4.5
161.09651	3.9
163.11124	3.7
182.01358	3.1
182.49307	2.9
187.11235	8.6
188.11874	2.9
189.12715	10.2
201.12784	6.3
203.14285	74.0
205.12204	5.1
213.12675	3.2
231.13785	100.0
249.14830	63.1
267.16074	4.3
307.94385	2.7
361.03702	3.1
441.31653	3.8
515.23969	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	515.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10785	26.2
53.03938	36.1
57.07063	67.2
67.05495	42.9
70.27808	28.9
75.57400	37.6
79.05465	59.1
85.06547	43.5
86.10390	34.4
91.05461	49.3
95.04900	49.2
105.07024	62.1
117.06995	60.1
119.08530	44.7
137.09586	75.2
203.14432	67.4
231.13843	100.0
269.15323	38.0
301.25897	39.5
326.35211	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	515.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88262	5.9
53.03935	16.6
55.01863	15.1
57.06844	5.6
57.07061	49.3
59.04998	7.8
64.81207	7.3
67.05488	23.5
67.20568	6.4
69.07021	7.7
79.05474	33.9
81.03403	27.8
81.07026	16.0
85.06568	18.3
91.05464	41.3
91.70995	9.4
93.07052	14.9
95.04961	27.7
105.07035	29.5
107.04970	33.3
117.07006	26.3
119.08565	35.6
125.05975	17.0
125.09621	8.8
129.06987	22.8
137.09622	32.0
141.52911	8.7
143.08560	14.6
147.08046	29.3
163.11211	17.5
165.12756	15.7
173.83922	8.2
175.11211	19.9
187.11125	40.0
189.12781	31.3
203.14233	63.8
205.12271	15.1
231.13786	100.0
249.14870	56.8
261.98624	8.2
267.15909	37.0
504.24045	10.7
515.23816	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	515.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	100.0
57.34636	22.6
85.06537	36.8
97.58971	22.2
109.06495	31.9
110.13786	21.3
117.07005	28.0
227.93443	27.4
229.12254	50.1
245.15263	28.6
362.41440	26.2
474.20456	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27310	0.9
67.05488	1.9
81.21626	1.0
93.54240	1.1
95.08576	1.3
158.48563	1.0
277.03595	1.2
292.93228	1.4
335.43066	1.2
515.31873	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	13.1
57.03420	6.2
57.07057	5.8
67.05496	85.0
69.03425	2.7
69.07062	17.8
69.13256	2.1
71.04977	5.6
71.96439	2.0
75.04484	2.4
79.05486	47.3
81.07050	100.0
83.08620	6.8
85.02885	5.5
85.06544	3.1
91.05466	26.7
93.07035	57.5
95.04978	6.8
95.08601	63.4
95.64111	2.0
97.02834	2.1
97.06564	4.6
97.10154	5.4
99.08028	2.8
105.07031	22.8
106.40732	2.1
107.08580	35.6
109.06475	2.8
109.10152	31.3
117.07015	10.5
119.08572	19.5
121.10133	36.3
123.08107	3.8
123.11687	14.0
131.08578	20.8
133.10118	13.1
135.11691	22.8
137.13322	3.1
139.11234	2.4
143.08459	2.3
145.10109	15.2
147.11685	10.1
149.13274	14.7
159.11690	13.6
161.13290	8.7
163.11128	2.6
163.14822	9.6
163.18439	2.6
173.13225	13.6
177.16367	4.0
187.14923	6.1
200.55939	2.7
201.16342	2.7
233.22522	3.3
243.21046	15.2
254.36560	2.8
261.00183	2.5
261.22141	44.8
288.22461	2.6
335.25809	11.0
342.70932	2.8
353.26859	6.0
457.16257	3.3
497.30692	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	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64058	2.5
55.05503	17.6
57.03423	4.1
57.07059	5.6
57.51082	2.8
61.02909	4.4
67.05498	93.5
69.03404	9.8
69.07067	19.4
71.08629	3.5
73.55125	3.3
77.03927	3.1
79.05478	51.0
81.03419	6.1
81.06602	7.8
81.07050	100.0
83.04973	5.6
83.08612	9.5
85.02891	5.2
91.04926	6.0
91.05464	41.1
93.07031	74.5
95.04967	8.9
95.08597	76.1
97.10156	6.3
105.07011	22.7
107.08585	53.6
108.90384	2.9
109.06483	3.8
109.10142	35.9
117.07013	13.5
119.08587	21.8
121.09340	6.0
121.10132	38.8
123.11710	16.1
131.08575	26.4
133.10146	18.0
135.08078	3.4
135.11691	37.5
137.13234	8.7
145.10103	21.3
147.11691	14.7
149.13260	26.1
159.11707	15.1
161.13287	11.8
163.14845	10.0
173.13240	18.5
175.14812	4.7
187.14812	8.0
224.03448	3.9
229.50870	4.3
243.21040	17.9
261.22104	69.1
263.64337	3.7
295.75275	4.2
335.25818	6.7
345.23911	4.6
353.26874	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	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81980	5.4
53.09232	5.0
55.05499	17.3
67.05498	99.3
69.07056	22.9
70.19360	6.0
79.05090	5.5
79.05489	37.2
81.07047	100.0
85.02891	7.6
88.84264	5.1
91.05470	34.5
93.07032	55.5
95.08605	81.9
99.08099	7.9
103.47856	6.1
105.07034	16.2
107.08576	30.9
109.10180	30.8
115.35263	5.9
119.08585	19.4
121.10184	32.8
123.11716	20.1
127.74194	6.8
129.85100	5.6
131.08578	20.2
133.10144	16.9
133.45995	6.1
135.11694	20.1
145.05484	5.8
145.10092	9.3
147.11653	13.0
149.13264	20.2
163.14789	11.0
169.55823	6.6
173.13261	13.5
179.05469	6.8
184.17244	6.5
209.33955	6.9
243.21143	13.6
261.22235	32.0
335.25711	11.1
353.26764	10.7
372.51617	7.0
380.65442	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	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00272	3.5
55.05499	12.0
57.03426	8.5
57.07074	2.9
62.98615	2.8
67.05495	100.0
69.06671	2.9
69.07059	17.0
71.04969	4.7
79.05497	33.4
81.03401	5.0
81.07044	76.8
83.04977	5.4
83.08595	7.6
88.68161	4.0
91.05474	25.2
93.07039	62.1
95.04968	6.4
95.08593	61.1
97.10159	4.4
105.07038	21.6
105.64032	3.7
107.08588	43.9
108.97336	4.4
109.10141	26.2
117.07034	8.7
117.51565	3.8
119.08604	17.5
120.60706	4.9
121.10138	40.4
123.11691	13.0
125.46925	4.6
131.08589	25.2
133.10130	16.3
135.11670	32.0
145.10121	16.6
147.11691	13.4
149.13252	18.4
159.11684	11.6
161.13284	13.7
163.14825	9.6
173.13278	12.4
197.04707	4.8
232.53986	4.9
235.11557	4.3
243.21155	16.7
261.22147	52.6
263.53372	4.7
335.25867	8.6
336.84305	4.6
353.26910	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	515.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63832	5.1
53.03929	5.1
55.05508	7.5
55.82937	5.8
58.48862	5.5
59.50038	5.8
59.80814	5.7
61.90179	5.3
63.09050	5.5
67.05494	44.0
68.76444	5.3
69.07075	11.4
75.25762	5.8
75.83211	6.6
79.05488	30.0
81.07051	27.5
83.08578	6.3
91.05466	24.2
91.71030	6.9
93.07033	43.5
95.04967	15.7
95.08604	20.1
97.02842	8.4
99.04480	22.0
107.04944	11.2
107.08582	50.4
117.07010	36.7
119.08588	12.2
121.10120	15.8
122.58848	6.8
126.27360	6.4
131.04948	7.2
135.08072	53.9
135.11717	12.8
163.07521	46.0
163.27635	8.9
199.09622	59.6
231.07278	7.2
304.91367	8.4
330.60098	8.6
469.57059	6.9
515.32178	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
62.41480	1.4
67.41363	1.4
93.92386	1.6
107.26870	1.7
139.20232	1.7
166.42735	1.5
175.65105	1.6
295.70261	1.9
299.52365	1.8
336.19357	1.8
515.39148	100.0
516.38959	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	516.332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75302	6.3
55.10099	6.7
55.47258	6.6
57.07077	29.5
58.93867	6.6
60.04828	8.5
63.88918	6.9
67.05511	37.9
68.40083	7.0
79.05487	14.8
81.07074	11.6
82.32458	8.4
83.08656	8.3
85.06542	13.1
85.67921	7.4
91.05501	16.1
93.07049	22.5
95.04948	11.9
95.08620	23.9
97.35133	8.0
105.07047	29.4
107.08602	15.1
108.43176	10.2
109.10142	100.0
113.76308	8.7
117.95289	8.3
119.08614	21.9
129.07014	10.5
133.10258	13.0
137.09616	12.0
140.61185	8.9
145.10164	25.3
155.08598	17.2
159.11748	13.7
159.57742	8.7
173.13309	11.3
201.16501	33.0
204.95787	10.2
217.08791	9.5
219.17511	23.9
240.30606	9.8
321.16763	70.0
430.74127	11.6
516.24298	16.0
542.54364	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	516.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	12.0
67.05491	16.1
69.07051	10.5
70.06580	56.7
81.07037	12.0
83.08595	4.5
84.08134	39.1
91.05496	6.8
91.71593	4.8
93.07040	8.7
95.08607	7.6
100.07627	11.9
111.52663	4.1
119.04922	18.4
128.07045	12.0
147.04398	63.1
304.72867	4.9
306.27930	69.9
310.98404	4.7
352.28485	100.0
370.29614	16.5
378.97238	5.3
429.25238	5.0
516.33350	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39373	1.9
57.62564	1.6
60.00787	1.6
62.65150	1.9
78.87636	2.0
81.89117	1.9
94.93050	3.4
95.18154	1.9
103.04699	2.0
160.15137	2.4
174.89589	100.0
202.89166	3.4
212.85121	3.0
241.86423	2.6
318.10474	2.8
354.61719	2.3
381.07825	5.3
497.05869	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	517.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92042	4.8
56.96561	93.6
56.96821	8.4
59.99680	6.3
69.07072	9.4
77.03088	5.5
81.07056	7.2
97.99207	10.4
98.97592	34.5
107.08630	8.1
110.97585	10.7
112.99108	5.8
116.98666	14.6
119.08567	7.4
121.10210	6.4
127.00619	5.9
128.98647	13.8
134.99658	9.8
140.00223	23.1
140.98682	14.0
146.99722	9.6
152.00218	11.3
154.01740	6.5
155.00064	7.0
158.01396	14.0
158.99611	12.2
170.01352	15.9
170.12524	6.8
173.01309	10.4
177.00754	13.2
182.01375	25.8
193.02878	9.7
196.02934	21.8
200.02388	23.4
212.02318	10.5
219.01837	11.7
237.02849	8.1
242.03441	17.8
244.69809	7.1
251.13445	25.5
260.04599	15.9
269.14337	21.9
274.14932	18.7
276.12546	10.0
283.06137	17.8
292.15952	24.4
292.36810	7.9
295.12280	16.6
318.13815	40.4
336.14847	16.1
337.13379	21.1
355.14401	15.8
359.16586	9.1
378.15979	39.0
395.16727	7.3
457.17465	100.0
475.18457	16.1
498.20221	43.5
517.19672	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	517.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	41.5
67.05479	13.1
70.52290	4.9
73.07011	4.9
79.05501	7.3
81.07052	6.4
83.08635	6.9
88.84047	6.0
99.75937	5.5
100.11298	6.8
104.57123	5.9
110.10389	6.8
119.50143	6.6
121.10123	6.2
123.72044	6.3
140.00200	10.5
140.35188	6.2
147.04402	8.3
152.41820	6.1
172.95264	8.2
213.04387	19.4
218.04916	11.0
225.94420	7.4
233.98448	7.4
236.05988	21.2
253.10110	7.7
259.07574	14.1
262.03833	10.8
280.04901	10.6
285.05417	16.1
303.06244	10.1
309.17395	12.9
311.18665	13.8
334.20572	12.4
353.20078	18.9
394.39978	7.2
457.22510	100.0
479.21155	7.4
515.10248	7.2
517.24249	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	517.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	58.4
61.33157	5.8
64.16417	6.3
67.05483	17.4
81.07043	21.6
88.20191	6.2
93.07006	15.0
95.08598	20.5
96.55013	7.7
98.97585	12.9
101.77357	6.8
105.07037	13.1
116.98593	17.2
121.77274	7.1
134.99683	11.1
140.00194	32.4
147.04445	9.9
158.01271	17.6
181.02849	20.8
186.77011	7.4
195.03401	9.4
198.40234	7.4
213.04333	9.6
236.06036	11.3
239.02266	16.8
246.49809	8.4
257.03448	23.1
262.03900	31.7
280.04932	24.8
285.05496	38.4
293.17966	11.2
303.06506	13.8
309.17236	18.5
311.18896	28.2
311.44379	9.4
328.53595	9.6
332.18811	9.0
334.20508	23.2
353.19849	75.3
411.44235	8.3
425.57996	8.4
457.22650	100.0
498.25262	20.7
517.24707	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	517.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82324	3.5
59.63971	3.3
76.57677	4.1
91.71626	3.9
93.07037	4.3
181.51363	4.5
189.85689	5.5
224.46693	4.2
273.45059	4.3
340.10446	4.2
369.34961	5.4
423.25613	4.9
425.18134	4.6
455.49170	5.2
517.25537	100.0
517.36835	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21591	1.5
62.58689	2.0
87.97765	1.7
95.08611	3.6
102.79916	2.7
112.19211	2.0
112.62333	2.4
180.24626	1.9
267.18042	2.4
281.75140	2.4
517.25598	100.0
517.37067	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	517.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24248	3.3
57.07066	6.0
71.12566	3.4
78.29801	3.9
99.10219	3.8
126.80853	4.5
128.21895	3.6
241.40544	5.5
270.12329	4.2
275.94284	4.5
316.36578	4.5
340.85599	4.3
502.89951	4.9
517.25525	100.0
517.37262	9.8
520.29492	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	517.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90823	4.0
60.25371	4.2
82.45431	5.0
83.98267	4.7
86.41042	4.7
106.59837	4.6
298.31131	6.1
396.95395	6.1
422.97034	6.4
498.72400	5.8
516.51569	6.1
517.25427	100.0
517.36237	15.8
522.86963	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	517.2925
Annotation	Sampsonione Q
Peak:m/z	Relative Intensity
50.05001	3.1
58.87297	3.2
59.00381	3.4
60.19694	3.8
70.20557	4.4
95.68362	3.9
134.05806	4.4
504.76266	5.0
517.29102	100.0
517.35651	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	517.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13202	5.7
52.52354	6.1
59.62574	5.7
69.64155	7.2
78.37964	6.4
95.45506	7.5
97.44714	6.9
121.32503	6.8
215.08159	7.3
227.22052	7.2
246.49652	8.5
347.04260	10.0
450.74399	7.7
517.29095	100.0
517.35687	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.16147	5.9
60.69595	6.0
70.79433	6.4
96.11960	6.3
99.07903	7.5
101.85097	6.5
113.59748	7.9
114.03258	6.4
146.82379	8.1
227.48997	7.0
247.96977	9.1
517.29132	100.0
517.35480	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60941	3.5
51.22971	3.7
55.05504	20.5
57.03420	9.1
57.07063	11.7
67.05492	77.1
69.07056	24.3
71.05003	4.0
71.08636	5.6
77.63137	3.8
79.05485	14.1
81.07040	100.0
83.08606	21.5
85.02896	4.8
91.05472	19.2
91.71664	5.0
93.07051	23.1
95.08598	74.8
97.06507	6.4
97.10184	9.7
101.26665	3.7
104.10744	7.3
105.07031	11.3
106.09916	3.8
107.08591	13.2
109.10148	42.1
119.08592	12.0
121.10139	18.2
123.11729	12.7
133.10120	15.5
135.11703	6.7
137.13261	5.4
145.02147	4.0
147.11703	4.8
149.13290	11.0
149.16539	4.8
161.13240	10.4
163.14835	9.1
164.72362	4.3
165.16380	4.6
175.14844	5.4
177.44009	4.7
202.82823	5.6
207.51318	5.2
245.22659	28.1
249.54018	5.1
263.23685	32.7
337.27493	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	517.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67805	3.1
52.02308	3.5
52.42283	2.8
52.43542	3.3
55.81485	3.4
57.26465	3.3
65.48037	3.1
71.53244	3.4
73.28928	3.0
73.51536	3.2
74.38190	3.3
145.35355	3.5
161.67471	3.6
198.67822	3.9
207.91951	5.7
241.22446	3.9
243.22629	4.0
256.44366	3.9
322.75873	4.4
517.35095	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	517.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83612	6.7
55.05497	18.0
56.96551	8.1
57.03402	6.3
67.05497	63.3
68.68180	6.7
69.07065	19.5
79.05497	57.0
79.73589	8.5
80.83736	8.1
81.03395	7.5
81.07053	100.0
81.76016	7.4
82.70133	7.6
83.04956	11.5
85.02886	8.2
88.62373	7.6
89.74803	8.9
91.05487	61.7
91.92710	7.9
93.07042	78.4
94.56091	7.0
95.08601	41.8
97.06516	9.8
105.07038	53.2
107.08585	47.3
109.10148	27.5
112.04034	7.7
117.07047	11.4
119.08563	42.0
119.74380	7.2
121.10153	60.4
123.11728	8.7
129.07034	12.0
131.08580	31.2
133.10139	29.3
135.08093	10.2
135.11699	24.9
145.10138	25.3
147.04422	12.1
147.11684	33.8
149.02356	8.9
149.04922	9.7
149.06110	12.3
149.09633	36.4
155.08560	11.8
157.10098	16.5
173.13309	20.3
204.35522	11.9
215.17953	10.1
251.30637	10.1
302.07001	10.4
335.22525	10.2
407.29340	12.9
499.33957	30.7
517.35242	41.3
539.66113	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	517.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54964	5.8
50.64273	5.4
55.01870	6.3
55.05490	20.6
55.72646	5.5
57.03432	9.8
60.74170	5.6
67.05493	88.5
69.03391	6.9
69.07061	34.2
79.05476	53.5
81.03410	65.5
81.07046	100.0
83.08600	12.1
91.05492	49.1
93.07021	59.3
95.04973	20.7
95.08599	70.5
97.06519	18.5
105.07017	45.6
107.04933	8.2
107.08566	31.5
109.06498	12.1
109.10147	24.2
117.07024	16.0
119.08594	40.5
121.10129	25.4
123.08030	7.9
129.06935	9.0
131.08563	18.0
133.10149	15.8
135.08076	8.0
135.11722	11.4
137.09619	18.3
143.06993	17.0
145.10136	23.2
147.11679	18.2
159.11690	11.7
161.13242	9.8
165.09056	11.6
171.11690	6.6
173.13335	12.5
185.13303	9.6
239.12781	22.7
261.22107	10.1
270.67801	7.4
303.47086	8.1
335.25925	8.9
407.24811	7.0
407.46646	7.1
425.30423	9.7
498.49304	6.9
499.34076	29.0
517.35498	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	517.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
64.45351	4.6
85.26630	4.3
93.06998	6.0
102.33621	5.3
103.73920	4.5
128.77716	4.6
163.34550	5.1
164.96747	4.6
217.15828	5.1
280.05414	5.4
517.37140	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04886	1.1
54.00824	0.9
54.60712	1.0
55.05502	1.3
55.49966	0.9
58.06593	100.0
67.05499	1.6
68.27646	1.0
69.07055	1.6
70.06594	1.6
73.88204	1.0
79.15623	1.2
81.07055	12.4
84.08120	7.3
86.26951	1.3
91.05515	1.4
95.08604	3.0
107.08585	1.4
114.18851	1.2
119.08640	1.2
123.11699	9.2
140.14331	17.8
170.63765	1.3
207.20061	1.4
288.84448	1.3
296.55508	1.3
315.47693	1.4
342.26474	3.0
373.28690	1.4
448.71899	1.4
481.39984	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52509	3.1
54.84612	2.9
60.08146	12.7
67.04243	5.1
68.05013	5.5
70.06585	22.8
70.87701	3.4
72.08154	10.4
84.04513	9.5
84.08157	5.9
85.02908	5.9
86.09714	28.5
95.06102	17.1
100.07114	3.0
103.22508	2.9
107.06056	20.2
107.62978	3.4
111.05537	3.3
123.04417	10.0
125.01688	5.0
126.02491	12.2
127.03206	8.7
134.96927	3.6
137.02400	4.1
139.03099	7.0
139.04037	8.2
144.06602	4.6
167.02718	20.4
177.07909	4.2
184.09129	5.9
185.09779	8.7
187.05093	8.7
188.05789	6.4
193.02872	19.9
193.04593	6.0
221.03784	98.7
227.03781	3.8
232.03175	3.7
237.03410	6.0
249.15556	4.0
263.04837	68.3
286.48315	4.8
322.12262	6.5
339.10205	8.5
415.09561	12.0
459.15063	4.2
474.16925	100.0
475.17429	5.3
518.16058	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	518.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18554	2.1
55.01858	7.5
58.99566	10.5
63.27750	2.5
67.05504	6.6
69.03419	5.7
70.06579	31.8
71.01311	3.5
72.08145	13.6
76.01830	3.4
76.02225	46.5
76.03954	3.3
79.05499	3.1
81.03419	3.8
81.07047	6.2
83.06114	4.8
84.04501	23.5
85.01134	2.9
85.02911	3.9
86.06050	5.2
86.09707	17.1
91.05474	4.2
93.07043	3.5
95.04966	10.5
95.08617	5.6
97.02839	3.0
104.49394	2.5
112.03963	3.1
112.28184	3.1
113.04211	5.1
114.06359	3.0
116.01645	17.7
119.08615	5.8
119.85394	2.9
123.04419	9.3
125.02350	3.9
130.04990	9.4
130.06819	6.7
137.05995	6.6
139.03868	4.1
142.03123	3.4
144.01183	6.8
147.08099	3.7
151.03952	20.6
162.02249	20.2
169.04939	12.9
170.02734	5.5
170.81943	2.8
177.18710	3.0
179.04861	34.5
187.05457	3.8
193.08624	34.5
211.09650	100.0
228.08727	3.7
231.07961	13.5
233.05861	10.9
291.06589	4.1
293.90009	3.0
308.09164	16.5
355.08218	4.2
372.10950	5.6
443.14841	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	518.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46380	1.2
52.17071	1.3
52.31221	1.5
55.01868	5.3
55.05523	3.5
55.21139	1.6
56.05040	1.5
58.99578	8.7
67.05510	7.6
69.03436	4.2
69.07104	1.5
70.06591	6.3
71.01357	2.9
72.08170	3.4
76.02215	49.6
76.03992	2.2
81.07069	4.9
83.06128	2.5
84.04501	19.7
84.08109	2.5
85.01151	2.9
86.09708	5.0
86.99062	2.6
87.02737	2.9
87.18879	1.6
91.05508	4.6
93.07050	3.1
95.04953	15.6
95.08602	3.5
97.02954	1.9
100.39812	1.7
105.07042	2.1
110.01282	1.5
110.87601	1.5
113.02371	2.0
113.04261	3.5
113.29613	1.7
116.01648	13.3
119.08598	4.9
121.06519	2.6
123.04401	12.1
123.08096	2.2
125.02348	4.0
128.30537	1.9
129.07042	2.5
130.05000	8.8
130.06905	7.0
130.08662	2.2
137.55992	1.6
139.04021	3.5
142.03308	4.5
143.03488	2.1
144.01140	8.6
144.41043	2.1
147.08078	3.0
151.03900	22.5
156.08408	8.5
162.02174	20.0
165.09122	4.4
169.04974	12.6
170.02748	2.9
179.04845	30.2
187.05344	2.2
193.08583	38.6
211.09631	100.0
231.07953	13.5
233.05833	13.9
233.09575	2.7
245.05978	2.6
291.06616	2.4
308.09039	17.9
312.08786	2.6
325.32111	1.8
371.12552	2.7
443.14810	5.2
478.79315	2.2
518.17590	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	518.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01866	4.6
57.03431	4.1
57.31500	1.5
61.02937	2.3
62.91619	1.7
65.35200	1.8
69.03416	17.7
69.03716	1.6
71.04993	1.9
73.02917	2.2
78.23893	1.6
79.05519	1.9
81.03415	13.1
85.02895	36.3
85.03369	2.5
87.00848	8.1
92.02932	1.6
97.02888	10.5
99.04485	7.4
105.01896	9.0
105.07026	17.5
108.04494	3.8
109.02879	12.6
109.03484	1.3
111.62267	1.8
112.89430	1.7
127.03910	20.7
128.69598	1.9
129.01912	2.6
133.06483	100.0
145.04951	10.8
157.06593	2.8
159.02945	8.0
187.13663	1.9
191.21013	1.8
207.90530	1.9
218.18729	2.0
231.05058	3.4
263.88580	2.1
293.79718	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	518.296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67484	3.7
55.01853	5.7
57.03425	5.6
59.04976	4.5
61.02908	4.9
62.72284	4.0
64.38909	4.1
65.09754	3.4
67.05492	17.5
69.03394	4.3
69.07058	8.4
73.35490	3.8
79.05472	13.0
81.03376	5.0
81.07065	21.8
83.04961	6.7
85.02905	12.2
91.05469	11.4
93.07034	17.6
95.04955	5.0
95.08578	10.2
97.06534	6.6
105.07031	15.2
107.04926	8.2
107.08552	10.6
109.06560	4.4
109.10117	4.0
117.07014	13.2
119.08582	13.2
121.06449	4.1
121.10143	12.5
129.94260	4.0
131.08549	15.1
133.06503	5.8
133.10120	12.3
135.11621	10.1
139.89621	5.1
143.08525	4.7
145.10120	23.8
149.09615	14.7
151.11124	7.6
161.13152	4.9
163.11110	28.6
173.09554	5.1
179.10735	10.3
187.14807	8.7
191.10727	5.1
201.16464	7.1
219.17406	11.8
247.17012	21.0
258.87994	4.5
264.94632	5.1
265.18039	12.6
275.87689	4.6
321.20581	63.7
339.21646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73816	2.8
53.03960	3.6
55.05494	5.8
56.05029	4.1
58.35224	3.1
60.04514	26.1
60.34336	3.0
64.43950	2.6
64.52753	2.6
67.05489	24.5
67.29410	2.7
68.05029	6.9
69.03416	5.3
69.07047	8.8
70.06580	100.0
70.06944	7.4
71.04990	3.6
72.08121	5.4
75.52260	3.0
76.02205	6.6
76.98283	3.0
79.05482	15.7
81.03407	44.3
81.07038	25.4
83.04962	14.0
83.08601	4.1
84.04504	12.3
85.02910	7.4
86.09685	6.0
91.05462	23.0
93.07037	24.6
95.04961	15.2
95.08601	21.7
96.04480	8.9
97.02888	8.7
97.06528	7.0
101.19160	3.6
104.79848	3.4
105.07015	12.5
107.04939	10.5
107.08597	11.8
109.10153	9.8
110.06022	7.9
111.04456	4.9
111.08059	3.9
116.01689	3.9
117.06983	7.7
119.08566	10.9
121.06488	8.4
121.10146	13.5
129.07034	3.9
130.05013	4.0
131.08589	12.8
133.06506	5.2
133.10143	12.7
135.08037	8.2
135.11707	4.9
137.09601	5.9
139.03880	4.0
139.62328	3.7
143.08572	4.2
145.10173	5.3
147.08029	11.6
157.10164	5.0
161.09619	8.4
162.02122	5.7
169.66971	3.7
187.14780	4.5
206.06383	3.6
211.09683	16.0
273.18439	23.7
290.21274	12.0
291.19531	33.8
308.22186	13.1
356.24371	8.0
432.50433	5.3
440.47675	4.3
465.25165	5.4
482.27429	10.9
500.28323	20.1
518.29523	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	518.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07045	3.7
59.23070	2.5
62.66212	2.6
67.12840	2.6
77.00591	15.7
79.18359	2.8
82.08552	2.5
89.06007	8.9
90.35161	2.7
91.05776	10.3
95.01634	55.1
98.21936	3.0
98.39339	2.8
99.93628	2.8
102.03696	5.5
105.77135	2.6
113.27658	3.0
114.07359	24.6
117.03660	4.3
118.03205	100.0
119.01611	3.1
144.04790	6.4
145.06779	70.3
147.04700	29.1
150.74304	3.2
165.05809	6.7
188.07262	4.3
189.09412	16.7
191.07347	10.1
233.12024	15.6
239.09425	5.7
321.17285	16.8
327.50250	3.7
495.82278	3.6
518.21033	4.3
518.38037	3.8
541.18048	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	518.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.6
58.31600	1.7
60.04515	50.8
61.71321	1.8
67.05501	2.8
69.07049	8.4
70.02964	2.4
70.06583	19.9
72.08143	56.1
81.03382	2.2
85.02885	2.0
86.09695	100.0
87.05581	18.1
106.65005	2.3
109.16707	2.1
114.09166	14.6
128.10710	7.7
132.10219	2.3
137.06012	2.4
137.54106	2.0
138.21272	2.2
155.11693	2.3
159.11273	80.8
160.11562	2.5
169.09669	3.5
173.12860	56.6
187.10751	31.9
201.12317	31.4
214.94043	2.2
245.18613	9.7
256.12955	28.9
274.13937	14.5
308.22211	3.3
332.21841	5.6
334.78491	2.3
341.21539	4.7
354.95920	2.3
355.23843	2.3
359.23242	3.9
369.21347	23.3
387.22314	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	518.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87983	2.1
58.84587	2.4
60.08167	23.1
63.59084	2.3
64.84927	2.4
66.27241	2.4
67.05499	4.3
69.07056	2.6
70.80354	2.3
71.07359	9.9
81.07063	3.5
86.09699	59.2
88.24742	2.9
91.71154	4.4
97.92688	2.3
98.98476	5.0
104.10741	100.0
125.00005	26.1
143.31044	3.0
153.81863	2.9
174.44948	3.2
183.02588	2.7
184.07356	75.3
184.08952	5.6
250.35782	3.5
338.92349	3.4
500.31204	3.7
518.32269	17.3
524.61169	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	518.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	1.3
60.08154	9.4
65.82955	0.8
66.36091	0.8
67.05511	1.0
69.46750	0.8
71.07362	4.2
81.07041	1.3
84.22934	0.9
86.09701	40.5
95.08604	1.2
98.98472	3.3
104.10726	5.0
119.08571	1.3
124.99999	21.9
135.08446	1.0
168.59073	1.0
184.07330	100.0
203.14308	2.1
301.87778	1.1
447.28821	1.0
468.48016	1.0
480.05826	1.0
511.97888	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33831	0.8
51.50016	0.9
56.05024	1.2
58.06584	1.5
60.08158	19.4
67.05489	2.5
69.63203	1.1
69.89150	1.2
71.07363	8.2
79.05458	1.7
81.07036	2.9
86.09698	58.5
91.05485	1.5
93.07037	1.4
95.08590	2.5
98.98453	2.8
99.39281	1.0
104.10735	100.0
105.07052	1.2
107.08564	1.4
118.45795	1.3
118.66488	1.1
124.99997	26.4
131.78755	1.2
166.02734	1.3
184.07327	85.2
195.09656	1.2
285.39136	1.1
306.86752	1.3
500.31265	5.3
503.09769	1.4
518.25562	1.9
518.32471	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	519.1472
Annotation	VENTURAMIDE B
Peak:m/z	Relative Intensity
52.15176	2.6
63.28647	2.8
78.43114	3.0
81.49960	3.0
84.55111	3.4
99.08443	3.2
104.86622	4.2
109.59444	3.7
171.95058	4.1
254.86577	3.6
288.03998	3.9
357.09491	9.6
519.14618	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2009
Annotation	Gossypol
Peak:m/z	Relative Intensity
54.51476	11.0
55.64367	15.0
57.07060	34.1
61.57309	12.3
61.65964	13.8
91.71053	20.1
95.04967	14.9
112.56031	15.1
127.51923	17.8
157.86353	18.9
163.02022	14.8
184.07388	32.6
387.12192	23.9
402.14456	25.7
417.20337	28.2
445.20193	45.1
473.19949	39.6
513.35168	19.2
519.20172	100.0
519.26367	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	519.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64214	1.6
70.54410	1.8
78.53004	1.9
91.05479	2.3
94.04179	5.3
103.05497	2.3
109.06534	2.1
122.03593	9.7
128.06204	2.0
131.04918	2.5
137.05969	100.0
151.03862	3.4
151.07556	8.1
161.05989	4.8
172.05170	2.3
181.97757	2.0
187.07562	3.9
249.09007	2.7
261.09097	2.7
275.55573	2.2
277.08521	3.4
278.51208	2.0
301.08499	3.3
303.10208	2.6
315.10110	2.7
320.10007	3.3
321.11127	2.7
332.10614	3.4
333.11057	3.3
335.12823	7.7
347.12875	9.5
350.11255	2.4
365.13699	8.7
374.20197	2.2
395.14630	2.7
471.17896	3.8
489.19000	5.7
501.19107	5.7
519.20135	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2016
Annotation	Gossypol
Peak:m/z	Relative Intensity
51.53249	7.2
57.07069	15.5
57.27900	8.8
59.74977	7.3
67.47136	8.1
71.13839	10.8
73.58347	10.5
93.07079	9.5
181.37132	10.4
222.32716	11.4
387.12372	19.7
402.14783	28.9
445.20004	48.1
473.19699	41.8
519.20105	100.0
519.27014	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73930	2.1
61.74953	1.8
66.49734	1.8
70.85175	2.3
74.53349	2.0
81.03416	4.4
91.05484	2.0
94.04179	5.8
103.05502	2.1
116.10603	2.1
117.06963	2.7
122.03642	8.4
129.06999	3.1
131.04916	3.0
137.05965	100.0
138.06239	2.6
151.03894	4.7
161.05937	3.3
175.07567	8.3
177.05402	3.0
187.07559	5.3
189.09111	3.6
205.08548	4.9
205.47340	2.5
217.08563	3.5
219.07954	2.5
265.08554	2.4
280.99713	2.5
297.11221	4.8
335.12549	3.1
347.12732	2.7
448.15207	3.2
501.19159	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	519.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15565	1.2
56.27227	1.4
56.96560	2.0
62.30232	1.7
66.42570	1.7
75.24516	1.5
78.30856	1.6
79.05499	1.8
86.61908	1.7
91.05470	6.8
94.04171	2.7
95.04959	2.6
103.05472	3.9
105.07034	13.2
107.04904	2.6
111.33810	1.5
115.05438	4.7
119.08572	2.6
121.06451	1.7
121.08470	1.6
122.03632	9.2
128.06169	3.5
129.06972	4.6
131.04941	3.8
132.05714	2.6
133.06471	9.6
137.05972	100.0
140.81630	1.6
145.06520	2.8
147.04359	1.7
147.08022	4.3
149.05945	3.4
151.03906	3.9
159.08037	4.0
161.05954	18.3
165.07005	3.6
169.62373	1.8
172.05164	3.3
175.07527	20.4
177.07074	1.7
178.21950	1.9
179.08525	3.4
181.06526	2.2
184.05244	2.3
185.05988	2.2
187.07526	19.1
192.37257	1.7
194.07309	5.7
195.08087	1.9
199.07559	10.1
202.07858	2.0
205.06448	3.8
218.07265	2.6
221.06093	2.2
222.06796	3.1
234.06879	2.6
235.07643	2.4
237.09119	3.7
247.07457	2.3
249.09062	3.5
251.06793	2.0
253.08565	2.5
265.08411	8.3
277.08643	4.2
285.11200	11.4
289.08682	2.1
297.11185	11.7
303.09943	3.0
309.11148	4.9
321.11481	2.5
323.12732	2.1
335.13153	3.5
336.11478	2.1
347.12369	2.1
407.12634	2.2
439.15692	3.9
471.17902	5.0
483.17889	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	519.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91648	6.2
65.71061	6.6
66.71569	9.5
70.06635	6.8
81.07047	10.1
94.04138	9.6
98.20698	7.6
107.05021	10.0
108.69183	7.8
108.81438	7.1
122.03639	13.8
137.05966	100.0
140.90654	8.3
153.23523	8.0
161.05923	10.7
187.07571	10.7
236.26637	8.8
293.38043	9.2
312.24335	10.8
365.13733	13.5
373.61108	10.5
448.14883	18.6
514.08411	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	519.2563
Annotation	Withangulatin B
Peak:m/z	Relative Intensity
56.96555	8.9
71.64626	2.6
103.54224	3.0
128.54672	3.8
137.05975	15.5
154.44044	3.2
215.01869	3.7
247.46271	3.5
339.19516	11.2
357.20334	7.6
385.03342	3.8
434.81079	4.6
501.24442	29.4
519.25598	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38724	8.8
57.41177	9.7
58.46758	8.6
64.35514	9.5
65.53132	9.9
84.19064	10.1
85.00584	11.8
95.00012	10.1
103.89683	12.6
104.56224	11.0
118.67094	11.7
122.24411	11.9
127.85737	11.2
180.73001	11.7
213.31415	12.8
309.34290	14.5
313.81979	13.3
519.27557	100.0
521.03949	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	519.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
61.63634	3.9
65.94337	4.8
83.01370	4.7
84.25459	4.3
87.49192	4.4
95.00579	4.8
100.22583	4.9
112.83844	4.4
128.49727	4.6
158.21457	6.2
161.57684	5.4
165.15588	5.1
219.40593	5.4
221.90536	4.9
224.80180	5.0
240.90204	6.6
358.65616	5.1
519.26965	100.0
519.33704	11.1
520.26563	6.1
546.10059	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	519.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92352	5.0
75.21523	6.2
75.85739	5.4
85.21651	7.3
91.71622	9.5
140.73061	6.1
147.17607	7.0
229.08386	68.3
259.05847	8.8
269.11639	10.0
272.13998	28.2
300.63821	7.5
302.11124	11.3
519.27087	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
70.25171	2.3
74.70860	2.4
79.35443	2.2
91.70911	5.6
95.08583	2.7
153.81131	2.7
334.53873	2.8
355.26147	21.9
519.30829	100.0
520.30927	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	519.308
Annotation	19-Demethoxylebstatin
Peak:m/z	Relative Intensity
59.83323	2.0
62.89226	2.7
69.95840	2.1
71.07774	2.3
91.71040	4.6
122.32832	3.1
130.21819	2.7
130.71158	2.7
131.19518	2.6
131.77548	3.0
141.30708	2.8
160.49284	3.0
276.44815	3.1
355.26010	20.8
493.22592	4.0
519.30768	100.0
520.31165	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	519.3079
Annotation	19-Demethoxylebstatin
Peak:m/z	Relative Intensity
53.84249	1.9
57.07070	2.5
57.31404	1.8
64.45471	2.0
70.58123	2.5
83.45759	2.3
84.02103	2.0
85.81940	2.2
95.08581	2.6
98.21817	2.4
112.06228	2.3
150.43300	2.6
250.36723	2.8
268.06689	3.1
519.30908	100.0
520.31378	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	519.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79833	1.8
53.80095	1.6
65.77389	1.7
70.40569	1.7
75.53994	1.8
81.07050	2.3
83.08556	2.0
91.05477	2.2
95.08596	3.2
125.49220	1.9
136.40936	2.1
154.19431	2.3
180.58444	1.9
182.16833	2.5
191.02313	2.2
194.72188	2.1
267.73059	2.7
275.48593	2.3
349.25961	2.5
355.26114	12.3
519.30798	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41810	8.4
55.05499	41.5
57.03415	45.2
66.74904	8.0
67.05498	100.0
69.07056	24.3
70.83463	7.9
71.01322	9.4
79.05485	63.9
81.07050	96.5
83.08636	17.8
84.85763	10.3
91.05473	36.3
93.07045	90.2
95.04933	10.1
95.08614	80.2
102.64548	9.8
105.07026	34.8
107.08595	50.5
108.83079	10.4
109.10149	24.1
117.07045	15.4
119.08585	25.1
121.10090	82.1
131.08592	25.4
133.10156	13.7
135.11670	24.4
139.11201	13.4
145.10101	16.9
147.11687	13.4
149.13266	22.3
159.11760	10.2
167.10614	16.7
184.29366	10.0
241.14287	29.7
301.30710	10.8
335.25839	16.9
418.30356	12.0
501.35629	35.9
519.29913	12.3
519.36951	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	520.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	27.2
67.05508	7.1
69.03415	16.4
70.06581	27.1
72.08144	12.5
74.06072	36.6
75.24819	5.2
78.43780	5.7
84.04497	16.7
84.08129	12.1
86.09702	14.5
95.04967	10.8
102.05515	47.8
107.04922	9.6
120.06574	36.4
135.04453	14.3
139.03886	100.0
144.06598	6.7
151.03932	17.3
153.05484	7.0
161.06026	9.3
163.03914	37.4
165.05356	14.7
170.08159	7.5
179.03444	11.6
187.07576	9.7
188.09174	19.3
189.05489	11.2
191.07031	7.2
205.08591	13.0
214.10722	16.7
215.06992	8.4
233.08264	10.1
235.70099	6.9
239.17348	6.7
251.09171	8.0
352.13977	22.8
375.10727	10.3
383.11285	8.4
401.12146	25.1
416.87750	7.1
502.17557	9.5
520.18280	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	520.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39476	2.9
53.96195	2.7
54.60886	3.3
54.99250	3.1
56.05030	6.2
57.57763	3.0
58.99574	20.2
60.97974	3.2
65.64254	2.8
67.05488	26.7
68.95305	3.1
69.07059	8.9
70.06553	3.6
71.05003	3.4
73.01125	3.9
74.00686	3.2
75.53246	3.1
76.02217	55.8
79.05476	12.1
81.07050	25.8
84.04484	21.1
86.00638	7.0
86.99055	6.3
87.02720	4.7
91.05472	9.4
93.07026	21.6
94.06537	4.7
95.04965	4.3
95.08601	12.9
96.48351	4.1
97.01103	13.5
97.94244	3.3
102.05486	6.1
104.07132	5.1
105.07040	4.5
107.08585	13.8
109.10172	6.0
111.02647	11.4
112.38744	3.3
116.01668	39.7
117.06995	3.8
119.45979	3.6
129.06630	6.1
130.05011	7.6
133.10161	9.5
135.11742	8.4
142.03233	6.7
144.01161	12.7
147.04419	4.8
149.13254	14.4
151.11143	4.0
159.11681	8.1
162.02184	27.8
170.02805	3.9
177.12805	5.3
179.04854	18.0
195.13736	9.3
212.16452	5.3
226.12592	4.1
242.13341	4.1
252.14186	9.9
270.14896	18.3
285.52557	5.2
288.16275	16.4
373.17917	100.0
391.19095	4.5
520.23792	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	520.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10036	2.3
55.05494	6.3
56.05017	4.2
56.14690	2.3
58.99578	6.6
67.05497	37.9
68.32034	2.2
69.07044	9.0
76.02220	7.7
79.05486	13.0
81.07041	27.1
83.08612	5.6
85.01128	2.8
87.02676	8.2
88.02225	3.5
88.03978	5.0
91.05480	13.9
93.07037	15.7
95.08584	25.5
97.01124	4.1
105.07043	6.5
107.08595	10.4
109.10161	10.1
110.68202	2.7
113.04231	6.9
115.33163	2.4
119.04947	21.9
121.10146	9.6
133.10114	4.5
135.11694	6.9
145.05864	2.9
147.03224	4.9
147.04405	86.4
150.45787	2.9
165.05495	12.3
186.34268	3.1
252.23271	8.1
310.22034	5.5
338.21655	4.0
356.22519	100.0
394.44775	3.5
413.89926	3.7
451.43146	3.7
467.53970	3.1
520.27197	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	520.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61237	2.0
55.05499	3.3
56.05012	4.6
58.99566	7.9
62.35103	2.2
65.03937	2.0
67.05492	37.0
67.14507	2.1
69.07059	7.5
75.27148	2.2
76.02210	10.6
79.05486	15.6
79.61040	2.0
81.07051	31.8
83.08621	2.6
86.00661	3.0
86.99048	4.1
87.02672	8.9
88.02208	5.1
91.05491	12.5
91.71613	3.0
93.07011	17.4
94.25483	2.2
95.08604	30.5
97.01133	3.5
101.04201	2.8
105.07030	4.5
107.08609	6.5
109.10166	8.2
113.04222	7.2
119.04916	21.0
119.08559	3.3
120.22429	2.4
121.10161	10.3
124.71327	2.1
128.68137	2.3
133.10155	3.0
135.11732	6.5
137.97389	2.2
147.04404	87.0
147.11609	3.3
165.05449	12.7
182.77431	3.0
195.69673	2.7
196.13661	2.5
252.23230	8.7
264.56714	2.7
309.42130	3.7
310.22009	5.5
338.21561	9.2
356.22513	100.0
388.21341	3.0
491.83435	2.9
520.27411	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	520.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40969	1.4
62.77977	1.8
62.98416	1.5
63.07682	1.7
67.05517	4.2
70.06587	6.4
77.84672	1.8
79.18874	1.9
81.03380	2.5
81.07040	3.0
85.02902	5.8
86.09703	4.7
87.04459	12.1
88.85783	2.1
89.06023	100.0
91.71715	2.5
93.07073	1.8
95.08604	4.7
107.41899	1.9
109.10165	2.8
130.08629	21.0
131.07063	4.9
133.08598	71.7
137.05969	5.9
177.11227	20.7
221.13872	4.0
237.14836	2.6
268.54416	2.5
283.17410	3.2
352.56876	2.2
354.53503	2.2
404.75424	2.6
503.30557	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08155	10.8
71.07366	2.8
74.76595	1.5
76.14475	1.3
86.09698	39.0
98.98460	4.1
104.10741	3.2
105.64986	1.3
120.14227	1.4
124.99987	21.3
127.23827	1.8
142.39902	1.5
184.07333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28091	1.0
57.07077	1.1
59.04992	1.2
60.08158	22.4
60.87173	1.3
61.93395	1.2
64.86649	1.1
67.05511	3.5
69.07059	1.6
70.58141	1.2
71.07363	8.9
78.19453	1.3
78.41338	1.2
81.07044	2.3
81.92632	1.2
86.09698	60.4
91.05515	1.5
93.07016	1.6
95.08569	2.4
97.40797	1.5
98.98480	3.9
103.80442	1.3
104.10735	100.0
124.99998	28.4
133.10114	1.6
166.28506	1.5
183.13908	1.5
184.07330	77.8
233.37379	1.7
265.87262	1.6
502.32553	4.1
520.33954	16.6
521.28143	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	520.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52716	1.0
55.05490	1.3
56.05036	1.2
58.06575	1.4
60.08154	20.0
67.05484	3.1
68.63004	1.0
71.07359	9.5
77.32681	1.0
80.75282	1.3
81.07047	2.8
85.04346	1.1
86.09692	56.9
91.05454	1.4
95.08585	1.8
98.98443	2.7
104.10729	100.0
107.64573	1.2
124.99129	2.7
124.99991	26.2
141.03194	1.2
147.17375	1.1
151.65343	1.1
184.07317	80.4
188.19878	1.5
191.27765	1.3
502.32779	5.3
520.33966	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	521.1289
Annotation	Isorhamnetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03930	5.4
53.04147	1.0
57.03424	1.5
60.33874	1.3
69.03420	18.5
71.04977	2.0
71.26684	1.4
73.02917	3.3
81.03419	21.8
85.02891	9.9
87.04472	1.7
87.30674	1.3
91.05460	1.9
91.71015	1.4
95.08623	2.1
97.02889	9.2
99.04455	5.0
109.02856	11.6
127.03873	10.2
134.86650	1.5
139.21527	1.5
144.92877	1.4
153.01823	7.1
153.84419	1.7
187.05986	9.9
188.91821	1.6
229.05023	2.1
246.05305	1.7
274.04779	3.3
285.04086	3.9
302.04224	11.1
317.06537	100.0
321.74936	1.6
418.39221	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	521.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.1
61.58185	0.8
69.03410	1.8
69.07056	0.9
70.06589	4.9
71.95493	0.8
80.42123	0.9
81.07052	1.0
84.04498	1.3
84.08127	2.9
85.02886	2.6
86.09690	2.9
91.05474	1.6
95.04961	1.1
102.04628	0.9
103.05460	52.5
104.22395	0.9
105.07026	5.9
115.05506	1.3
118.00798	1.1
119.04982	1.0
120.08108	1.0
122.64695	1.0
128.78142	0.9
129.10243	1.7
131.04922	100.0
132.05296	1.4
133.06490	5.0
137.05971	6.8
144.08110	1.3
147.04337	1.2
161.05977	12.1
163.07527	29.2
164.05016	1.0
178.15352	1.0
179.07011	1.0
209.13310	1.0
258.90723	1.0
311.12790	1.4
339.40521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48755	0.5
52.20362	0.5
68.55659	0.5
69.03446	0.7
70.06576	1.3
72.08143	1.1
77.03905	0.6
84.04478	1.1
84.08124	0.8
85.02910	1.1
86.09702	1.2
91.05484	1.4
95.04958	2.4
97.02854	0.6
99.32227	0.5
102.05520	0.6
103.05460	55.3
105.07014	4.5
115.05435	1.1
119.04982	0.7
131.04922	100.0
133.06511	5.1
137.06000	3.5
147.04419	0.8
161.05962	9.9
163.07530	25.2
187.07556	0.8
211.67253	0.7
248.53340	0.6
332.68823	0.7
521.19989	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34316	1.0
53.65021	1.1
58.71869	0.9
63.44248	0.9
81.91735	1.1
101.30463	1.3
108.68811	1.3
115.05530	1.6
117.05715	2.0
118.06531	21.1
118.48613	1.2
130.06616	1.4
132.08115	5.0
142.06483	2.0
143.07341	1.4
144.08115	10.9
144.65961	1.4
146.06000	60.3
159.09190	4.2
170.06015	4.6
188.07050	100.0
205.09706	42.9
259.14505	1.3
315.37634	1.4
390.44733	1.4
423.41434	1.4
494.70114	1.4
507.26193	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	521.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55444	0.4
57.02602	0.4
61.04358	0.4
71.60778	0.4
74.03680	0.4
74.04134	0.5
74.46308	0.4
75.99807	0.4
77.98405	0.5
79.05461	0.6
79.85484	0.4
81.07062	0.5
85.02849	0.5
90.25900	0.5
91.05463	1.4
94.04179	2.7
103.05430	0.6
109.06477	0.7
111.83775	0.5
119.04951	0.9
122.03635	6.6
122.47455	0.5
128.72844	0.6
131.04884	0.7
137.05968	100.0
138.06325	0.7
148.58272	0.5
151.07515	3.6
160.05135	0.7
163.07513	1.1
172.33617	0.5
175.07553	4.2
179.06998	5.9
180.84013	0.5
201.09059	0.7
206.41682	0.5
261.08948	0.7
272.08273	0.5
297.11099	0.7
502.53812	0.5
503.20380	3.8
521.21515	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	521.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81998	4.9
53.03948	5.5
55.01854	6.1
55.05486	14.4
57.03421	17.1
60.04512	10.0
61.02914	5.1
66.04713	6.1
67.05498	54.6
69.03409	32.8
69.07059	11.8
70.06580	14.8
71.04969	23.6
73.02888	6.1
74.06077	6.0
76.02216	8.1
79.05485	17.8
81.03407	31.4
81.07039	32.3
83.04940	10.7
84.04520	7.8
85.02896	84.9
86.09696	8.0
87.00816	8.9
87.04456	10.0
91.05470	16.8
93.07022	55.1
95.08598	100.0
97.02880	14.4
97.06507	11.8
99.04444	41.6
99.08045	7.2
105.01902	6.7
105.07042	15.2
107.08588	12.0
109.02879	9.9
109.10145	45.1
117.07033	9.9
119.08591	25.3
120.08083	8.4
121.10163	23.8
126.44415	6.5
127.03893	25.1
131.08578	11.3
133.10059	7.7
134.06778	6.0
135.11678	16.5
137.05914	7.4
137.09608	28.2
139.11194	23.5
145.04962	8.5
153.12715	12.9
159.11673	30.0
173.13287	9.2
183.11732	8.8
191.86925	6.4
201.12743	18.3
218.02771	5.8
219.13803	43.6
237.14859	36.4
246.26242	6.4
247.53839	7.2
255.15926	18.5
293.71338	6.4
306.79300	6.4
336.58078	6.3
513.21967	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	521.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94726	1.4
53.03925	6.5
55.01854	7.5
55.05494	7.9
57.03419	7.7
59.61125	1.4
61.02898	3.8
64.46296	1.6
66.35730	2.0
67.05494	38.2
69.03420	21.2
69.07047	6.3
71.04986	11.4
73.02896	2.8
79.05492	11.3
81.03412	17.5
81.07045	16.7
83.04971	4.7
85.02898	66.2
85.06541	2.7
87.00835	9.8
87.04465	4.8
91.05473	17.4
91.71027	4.0
93.07031	39.6
94.02747	2.1
95.04955	4.3
95.08595	100.0
96.84589	1.9
97.02876	12.4
97.06548	3.4
99.04456	20.3
101.02374	1.9
105.01880	12.2
105.07030	7.5
107.05006	2.1
107.08588	8.1
108.44397	2.0
109.02869	19.7
109.10151	49.4
111.08067	2.4
117.07025	9.3
119.08574	21.4
121.06480	3.4
121.10144	19.1
127.03906	23.6
131.08559	5.7
134.42383	2.3
135.11681	12.0
137.05957	3.3
137.09602	29.4
139.07573	3.6
139.11163	12.8
145.04947	7.8
145.10149	3.9
147.02870	2.4
149.09636	2.0
153.12762	7.4
155.07040	2.7
157.10034	3.8
159.02892	5.1
159.08145	2.2
159.11652	15.0
173.09492	2.3
173.13286	4.2
177.12665	2.5
183.11699	4.5
191.14247	5.2
201.12761	12.6
219.13803	33.9
229.11958	2.7
237.14821	34.2
255.15913	17.1
384.33661	2.3
459.97174	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	521.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09534	34.0
57.60914	42.4
77.60599	41.0
77.92337	44.7
101.16920	54.7
108.13049	49.4
108.37641	43.4
111.62814	51.9
148.52483	52.4
267.10330	51.1
278.62186	58.7
318.94397	53.8
521.22778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96233	5.2
60.08138	13.8
72.15690	6.6
77.26657	7.0
86.09689	37.9
104.10732	61.1
105.11108	9.2
125.00007	22.2
140.95773	7.0
151.07549	12.0
184.07333	71.4
257.11545	7.6
288.29443	7.9
521.28510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70838	9.2
53.72167	11.5
53.91132	10.7
55.48938	11.7
60.08153	14.1
71.07348	11.2
71.71889	13.1
78.63788	11.4
79.58813	12.0
86.09703	43.5
99.66901	13.8
104.10725	92.3
125.00007	32.6
184.07301	100.0
184.78308	14.4
253.95799	13.6
264.85175	14.7
379.01495	17.6
417.68423	17.8
521.28333	97.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46100	8.0
56.70652	9.0
67.82729	11.9
67.96097	9.8
89.85919	9.6
95.60036	8.8
164.46376	10.9
512.77875	15.0
521.27856	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2871
Annotation	3-Libocedroxythymoquinone
Peak:m/z	Relative Intensity
56.47393	3.6
57.07060	4.6
57.66878	4.2
77.13358	4.2
85.06521	5.2
86.09698	6.4
101.82784	4.3
102.57950	4.5
110.05792	5.1
119.76624	4.8
143.62738	5.0
156.51305	5.2
184.05911	4.7
184.07384	23.4
262.10516	5.4
350.74911	5.9
521.28613	100.0
522.29425	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	522.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36564	1.7
54.48688	1.6
55.01854	4.6
57.03413	3.6
61.02918	20.3
69.03425	23.1
73.02897	11.7
81.03410	4.0
84.04520	2.5
85.02893	100.0
91.03936	29.0
97.02892	32.7
99.04435	6.2
109.02868	8.9
114.26721	2.4
115.03950	4.0
121.06532	11.4
127.03905	48.9
135.02438	2.2
145.04945	41.6
163.05994	43.7
165.16417	2.2
169.96333	2.1
188.38585	2.6
204.08670	6.9
213.39473	2.4
314.16116	3.2
325.11346	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	522.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	0.5
69.03421	0.6
69.54057	0.3
70.06593	0.9
72.08133	0.5
77.23402	0.3
84.04535	0.4
84.08117	1.0
85.02898	3.8
86.85355	0.4
97.02869	1.4
98.13403	0.4
99.04482	0.5
103.05462	35.1
104.05795	0.4
107.04998	0.4
109.02848	0.6
127.03941	0.5
131.04922	100.0
132.05251	1.4
133.06511	0.6
137.05962	0.9
144.08049	0.4
145.04932	0.8
146.46080	0.4
148.07616	0.4
163.07529	46.2
164.07852	0.5
165.09216	0.5
172.07489	0.6
181.04961	0.4
195.18555	0.6
261.99374	0.4
307.66162	0.4
315.35822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09310	4.8
57.03423	9.5
58.63853	5.4
69.03422	34.2
71.32644	5.3
75.06297	6.1
75.96742	5.5
79.05457	7.0
85.02892	100.0
87.04443	17.8
97.02867	37.7
104.05751	6.9
115.03937	20.2
124.05241	8.1
127.03889	10.4
133.05013	14.4
137.05977	12.7
139.07561	49.8
145.04938	17.0
153.85397	6.9
163.05954	8.1
181.12262	30.2
190.98354	9.8
192.98108	16.1
201.40511	7.1
358.56497	6.8
523.07123	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	522.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82721	5.5
59.34161	4.8
60.27060	4.4
61.02919	9.1
69.03415	14.8
76.54398	4.8
85.02895	100.0
91.03962	6.6
97.02895	26.1
99.04398	5.4
109.02888	10.0
124.05206	35.5
127.03914	20.3
137.06015	6.0
139.07526	68.8
145.04950	29.1
163.06076	8.2
181.12224	33.3
184.05121	6.5
205.37819	5.9
378.24374	6.3
478.24811	8.3
531.36353	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	522.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47758	4.5
53.03935	14.3
55.01871	7.9
55.05500	29.4
57.03421	10.4
60.04506	19.7
63.29731	5.6
63.36661	5.3
65.19696	5.2
67.05495	57.7
69.03413	21.8
69.07056	55.3
71.04987	37.8
73.02920	6.4
73.32352	7.0
79.05467	14.1
81.03405	49.0
81.07047	90.6
83.04970	9.7
83.08615	13.2
85.02892	71.9
85.06540	7.0
87.00812	16.8
87.04450	26.3
91.05441	29.3
93.07041	28.2
95.04961	16.4
95.08578	40.5
97.02886	58.4
97.06534	12.4
99.04462	43.4
105.01870	18.1
105.07026	27.6
107.08594	15.7
109.02885	44.7
109.10160	13.0
111.04429	6.3
111.11702	11.9
114.09171	12.8
115.03944	22.5
119.08566	40.0
121.10145	21.7
123.11696	38.4
127.03904	53.4
133.10158	25.4
135.07990	7.7
137.09612	9.9
139.11145	12.4
141.12753	24.0
145.04927	9.3
147.08128	7.3
151.14828	6.0
155.14375	14.4
159.02901	11.1
159.11630	9.6
161.13245	32.0
165.09200	8.7
175.14879	20.8
185.13333	9.3
193.15866	7.6
203.14359	22.1
221.15321	71.3
233.06091	6.4
239.16377	100.0
347.18637	7.0
440.93228	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	522.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04536	0.3
64.39796	0.4
66.35714	0.4
70.06581	100.0
72.08152	0.9
84.04485	1.0
84.08143	0.7
85.02881	0.7
86.09708	1.0
103.05462	0.5
120.08090	0.6
121.27160	0.5
129.10271	0.6
131.04997	0.6
139.03920	0.7
163.07584	0.6
180.76450	0.5
219.10220	0.8
281.19937	0.5
490.26379	2.5
522.29150	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50485	0.3
68.04998	0.5
69.16854	0.3
70.06581	100.0
70.74184	0.3
71.06932	0.3
77.57697	0.3
81.08400	0.3
85.02870	0.8
86.09713	1.0
91.05495	0.4
101.22511	0.4
118.01242	0.4
119.06929	0.3
120.08136	0.5
121.26062	0.3
131.04947	0.7
137.05965	1.0
137.39433	0.3
151.03951	0.4
163.78738	0.4
166.16119	0.3
193.95436	0.3
215.38962	0.4
219.10242	0.5
300.54544	0.4
360.66675	0.4
362.06433	0.4
451.90948	0.4
464.68332	0.4
472.06223	0.4
490.26343	1.9
491.46124	0.4
522.29639	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50485	0.3
68.04998	0.5
69.16854	0.3
70.06581	100.0
70.74184	0.3
71.06932	0.3
77.57697	0.3
81.08400	0.3
85.02870	0.8
86.09713	1.0
91.05495	0.4
101.22511	0.4
118.01242	0.4
119.06929	0.3
120.08136	0.5
121.26062	0.3
131.04947	0.7
137.05965	1.0
137.39433	0.3
151.03951	0.4
163.78738	0.4
166.16119	0.3
193.95436	0.3
215.38962	0.4
219.10242	0.5
300.54544	0.4
360.66675	0.4
362.06433	0.4
451.90948	0.4
464.68332	0.4
472.06223	0.4
490.26343	1.9
491.46124	0.4
522.29639	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	1.5
55.05494	7.7
57.60823	1.4
58.06565	2.2
58.59872	1.6
60.04509	2.3
60.08162	37.5
67.05502	11.5
68.05009	7.4
69.05799	5.9
69.07069	4.9
71.04977	1.7
73.91143	1.7
79.05492	9.5
81.07050	24.2
81.07491	2.9
83.08604	4.9
85.02939	1.9
91.05467	8.9
93.07053	7.0
95.04940	2.7
95.08588	10.0
99.01404	2.2
100.02221	3.2
105.07011	6.9
107.04934	2.6
107.08589	5.4
109.06517	6.2
109.10160	2.1
119.08592	5.8
121.10184	5.4
123.08078	3.4
123.11684	2.0
125.01661	2.4
126.02496	21.2
127.03268	88.2
131.08571	3.2
133.10117	3.4
143.02768	2.6
143.17896	2.0
145.04301	71.3
145.10150	2.1
147.11655	2.2
163.11349	2.6
184.08989	3.4
185.09811	38.6
186.10637	6.9
309.16599	2.9
368.26663	2.3
419.23630	7.2
478.30994	100.0
522.29944	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	522.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
53.34541	2.9
55.01862	11.9
55.05495	17.6
57.03423	15.2
60.04235	6.4
60.04519	90.7
61.98861	3.4
64.00639	3.2
67.05497	46.2
69.03423	34.5
69.07069	22.9
70.06574	14.4
71.04991	20.7
72.81555	3.7
73.02911	5.9
79.05495	13.1
81.03412	35.6
81.07046	85.7
83.04963	4.7
83.08617	11.4
85.02898	100.0
85.06509	5.2
87.00827	25.0
87.04466	10.0
91.05488	11.9
93.07043	17.2
95.04971	5.9
95.08604	39.3
97.02892	34.1
97.06473	4.5
98.66392	4.1
99.04446	22.0
101.02397	8.6
105.01872	27.5
105.07037	13.3
107.08580	11.9
109.02879	46.9
109.10139	13.6
115.03926	17.2
119.08580	15.0
121.10124	10.5
123.11706	29.1
127.03905	49.9
129.01862	14.1
133.10144	9.3
135.11688	5.5
137.09656	4.3
137.13286	8.8
139.11203	6.9
141.12724	19.5
145.05034	8.9
155.14304	12.6
157.01331	11.7
161.13246	20.0
175.11333	4.3
175.14877	10.5
189.03888	6.6
203.14412	8.7
221.15379	27.8
231.05074	10.5
239.16399	27.9
247.63512	4.1
254.24741	6.9
257.17679	5.0
268.26340	9.7
280.26318	24.7
291.00323	4.8
298.27325	34.7
316.28418	27.9
396.25858	5.5
451.19980	5.4
504.31808	10.6
522.25397	5.9
522.32776	82.8
523.24768	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	522.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00476	0.8
60.08163	9.1
69.07114	0.9
70.40683	0.7
71.07370	1.8
86.09695	43.0
98.98456	2.7
104.10710	2.2
124.99992	22.9
133.18983	1.0
137.38535	1.0
184.07327	100.0
199.25281	1.0
206.13914	1.0
214.68700	1.2
250.68805	1.0
311.04202	1.0
331.81885	1.1
432.01208	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.7
56.05018	1.7
58.06606	1.9
58.26328	0.9
60.08155	19.8
68.51911	1.0
69.07059	2.7
71.07358	7.4
78.41111	1.1
81.07029	1.9
83.08590	1.7
86.09699	54.6
97.10233	1.1
98.98458	3.3
104.10738	100.0
119.95803	1.1
125.00004	20.7
126.90157	1.3
166.02640	1.9
175.71970	1.2
184.07326	74.0
203.92300	1.3
241.79135	1.5
425.41977	1.3
504.34381	4.0
518.85846	1.4
522.35468	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	523.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
66.26905	2.1
88.58665	1.8
91.05446	6.2
93.91603	1.8
94.04193	3.4
106.76802	1.8
107.50294	1.9
111.04414	3.0
115.05431	3.6
121.20328	2.3
122.03653	7.4
131.04982	2.4
133.06462	2.5
137.05966	100.0
139.19737	2.2
143.04950	3.6
145.02783	3.2
146.03552	2.6
149.05988	4.0
151.03938	3.1
151.07518	11.0
156.52519	2.4
160.05338	2.3
161.05966	12.0
165.07040	10.8
167.08635	2.3
175.07558	6.6
177.05470	5.7
178.07738	3.9
179.08578	4.7
181.71989	1.9
182.07216	4.7
187.07506	4.0
193.06403	6.2
197.06194	2.1
197.09564	2.5
205.08675	2.9
207.08000	5.0
210.06815	5.8
219.08063	4.2
221.05899	14.2
224.08321	4.9
225.09131	12.1
235.07486	4.9
237.08568	2.1
238.06232	5.1
239.10619	4.2
247.07587	4.7
251.10645	7.3
252.07910	3.9
253.08575	12.5
255.06651	2.1
267.10242	13.0
279.10132	17.9
285.11166	43.0
299.12720	9.4
311.12735	16.9
329.13858	3.4
517.67285	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	523.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92699	1.0
54.34924	1.1
55.05516	1.6
57.07055	3.0
67.05487	6.8
77.41653	1.1
79.05505	1.7
81.07048	3.2
83.14133	1.4
93.07037	2.2
95.04932	2.2
95.08597	11.8
101.27168	1.3
105.07028	7.2
106.15309	1.2
108.05733	5.9
112.99906	1.3
116.50253	1.4
121.06493	2.9
121.54771	1.5
123.08064	5.5
125.09651	4.5
139.01682	1.4
146.97731	1.3
149.73434	1.5
151.07524	100.0
177.43987	1.4
225.53972	1.6
250.28876	1.6
374.76364	1.8
396.78162	1.4
495.10196	1.9
498.85260	1.5
523.30414	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	523.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78568	3.1
57.07066	19.2
64.20161	2.9
67.05468	2.6
69.03430	3.9
71.18990	2.7
85.06534	8.3
90.68960	3.6
91.05470	4.2
105.07056	5.6
109.06471	3.2
114.05524	4.9
118.29050	3.1
133.02716	3.5
140.07060	6.4
147.87738	3.3
158.57271	3.1
161.05959	100.0
163.48186	3.1
245.11670	6.4
290.17490	5.1
404.23996	4.0
523.30066	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	523.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38169	0.7
79.05468	1.0
81.07021	1.1
84.04492	1.3
91.05482	5.1
94.04173	2.8
95.04963	1.6
103.05458	3.4
105.07000	1.6
107.96251	0.9
117.07001	1.1
119.04956	1.2
122.03645	9.1
131.04918	5.3
137.05971	100.0
138.06268	1.2
146.03687	1.0
149.05981	1.2
151.07539	12.9
161.05975	4.5
163.07507	6.6
165.09114	1.1
175.07530	6.9
187.07539	1.6
189.09058	2.5
201.08923	1.3
213.09079	1.4
225.09100	1.2
227.10556	2.0
267.10367	1.1
267.35699	1.3
281.11902	1.1
287.12845	3.3
295.54636	1.0
297.11340	1.5
299.12885	1.3
312.02185	0.9
313.14539	1.2
349.13977	1.5
351.15781	1.8
475.20969	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83588	4.8
54.03510	4.0
55.01851	7.0
55.05506	24.8
57.03427	10.3
57.07045	4.4
59.04982	3.9
60.87391	3.6
61.02914	4.4
62.65703	4.0
67.05499	56.2
69.03415	18.5
69.07056	46.8
71.04983	33.9
73.02898	6.8
79.05482	16.8
81.03426	23.1
81.07048	100.0
83.04965	9.6
83.08604	12.9
85.02416	9.2
85.02895	92.5
87.00826	6.1
87.04460	10.2
91.05479	18.8
93.07043	29.2
94.49921	4.9
95.04958	14.0
95.08598	35.0
97.02881	17.3
97.06523	8.5
97.10197	4.7
99.04455	39.0
101.02401	6.6
103.03936	10.4
105.01854	12.6
105.07024	38.4
107.08603	8.8
109.02872	10.9
109.06492	8.9
109.10137	8.6
111.04461	12.1
111.11683	7.4
115.03934	10.1
119.08544	24.8
121.06505	10.4
121.10147	8.6
123.04391	5.6
123.08041	10.7
123.11710	55.9
127.03884	23.4
133.10158	11.2
137.09593	6.0
137.13269	9.0
139.11200	9.6
141.05475	5.7
141.12695	27.2
151.07529	5.3
155.14320	27.1
159.02943	5.4
161.13200	33.3
175.14824	16.1
179.14334	9.8
185.13300	7.2
193.15886	12.8
203.14360	17.2
217.57082	4.6
221.15367	42.0
239.16417	57.8
257.17459	9.8
269.12042	6.6
279.11243	6.0
305.08966	5.7
313.11993	6.5
351.09595	7.1
401.13470	18.7
452.55026	7.0
523.28540	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	523.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56528	2.3
71.38870	2.2
83.72871	2.3
91.71363	5.2
103.45725	2.6
104.71616	2.4
131.65649	2.8
131.86908	2.7
132.80650	2.6
146.79895	2.9
147.04512	2.9
229.30457	3.4
289.16650	3.2
332.28354	3.1
361.19757	5.3
393.97940	3.0
480.36606	3.4
516.56885	3.3
523.25134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19578	1.1
60.04512	2.3
74.20422	1.1
81.07068	1.1
120.08125	1.4
312.49466	1.3
370.63031	1.6
384.23645	1.4
430.63126	1.5
523.25116	100.0
524.25171	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	523.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88155	1.9
57.07061	7.1
58.61019	1.9
63.02357	1.8
72.02048	2.0
89.03912	9.5
91.05505	2.4
105.07052	2.9
105.43880	2.0
108.11766	2.0
117.03329	14.8
135.63309	2.1
145.02835	28.1
149.05972	9.7
149.07054	2.4
158.06036	7.0
161.05946	12.9
173.40582	2.3
177.05457	100.0
186.05467	21.2
399.36353	2.8
523.30518	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	523.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44332	1.1
52.70450	1.1
57.07066	1.1
57.07924	1.3
67.05492	3.0
70.94669	1.3
76.05025	1.2
79.05489	1.6
81.07008	4.2
86.09705	1.8
88.48630	1.4
89.03914	9.5
90.57957	1.7
95.08599	3.4
117.03368	21.2
134.03606	2.4
145.02832	32.9
149.05954	7.4
150.22829	1.6
158.05994	6.0
177.05452	100.0
186.05482	28.9
221.41594	1.8
261.22009	2.0
279.23285	5.1
394.10416	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	523.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83376	6.7
57.07741	6.2
80.71526	6.9
100.04084	7.4
111.52453	8.2
124.31807	8.3
125.89462	7.0
238.72412	11.2
303.40237	10.3
324.06000	9.1
379.17447	11.3
523.41229	100.0
530.98120	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16499	1.7
52.20287	1.6
69.03439	2.6
75.70426	1.9
79.05492	3.3
81.03458	2.5
82.60620	2.1
85.02890	13.0
91.71011	2.2
97.02922	2.6
103.05508	1.9
108.35611	1.7
118.51314	2.1
118.64982	1.9
124.05264	3.5
130.04076	2.4
133.02965	2.3
135.04411	100.0
137.06041	7.7
139.07568	5.1
140.07922	2.4
141.22971	2.0
145.04962	3.1
148.05261	3.6
159.04474	3.0
160.05235	3.0
161.02411	2.9
162.48553	2.6
164.76593	2.3
169.06511	5.2
169.93781	2.4
181.05066	8.6
181.06558	9.9
193.05025	4.5
197.06064	7.8
203.03050	2.2
209.05910	11.3
210.06831	2.8
225.05609	7.5
233.06999	2.4
237.05598	9.2
253.05122	4.6
255.06459	5.0
256.07291	3.0
265.04935	17.4
268.07651	4.2
283.05963	38.1
295.06079	6.0
297.07687	7.5
313.07144	8.9
315.08630	26.2
327.08725	7.0
329.98618	2.7
345.09650	52.8
362.12296	3.2
424.48541	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	524.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63155	2.4
54.36084	2.5
64.75672	2.6
68.88025	2.7
81.07023	3.2
85.02914	4.7
91.05502	3.5
118.36253	3.2
124.25183	3.2
135.04413	100.0
153.06972	3.6
161.05959	4.5
181.04968	27.9
181.06407	5.8
181.17427	3.9
196.15248	3.2
207.06554	5.9
209.05925	4.2
210.06624	4.4
239.07115	4.6
252.07983	3.8
297.07651	17.0
302.34421	5.1
315.08606	17.7
327.08731	10.6
345.09686	11.6
466.76279	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	524.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55376	2.9
63.26347	3.2
66.32894	3.3
67.05489	8.2
69.03400	4.2
69.07047	5.6
70.06577	6.5
74.98022	3.2
81.07042	11.7
85.02904	8.3
91.05495	3.9
116.07018	6.0
121.50674	3.4
123.04420	3.2
225.10236	4.6
227.11758	4.1
239.11606	4.1
241.09703	8.6
241.70511	3.6
249.10182	6.4
251.11813	7.0
253.09750	12.0
254.10410	8.5
255.11266	26.1
264.08823	6.6
267.11197	9.1
268.12067	4.7
269.12457	4.2
277.09772	14.5
278.10406	5.1
279.11298	24.7
286.12915	3.7
295.10791	8.6
299.10297	5.0
305.09143	18.5
307.10800	8.2
313.11816	16.2
314.12524	11.2
323.10208	8.5
333.08716	4.3
351.09818	28.6
355.12753	14.0
365.28281	4.5
383.12228	21.6
401.08347	7.5
401.13403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25159	2.3
57.03405	2.8
61.92720	2.0
69.03408	2.3
71.04974	5.6
79.05503	2.8
81.31068	2.7
85.02907	20.2
88.37213	3.0
91.05473	5.9
97.02903	5.1
102.31475	2.5
104.82087	2.8
105.28172	2.5
107.04955	5.3
114.57079	3.3
119.04920	4.4
121.06512	5.3
122.61212	3.1
123.04427	7.4
129.06999	5.8
135.04413	68.5
137.06009	7.7
147.04399	3.9
149.05977	44.8
157.06412	4.7
161.05962	5.1
165.07014	4.0
166.46037	2.6
167.08533	3.6
175.07552	11.8
181.12236	3.7
193.10117	4.0
195.08006	7.6
211.07471	4.2
213.09113	3.2
217.39807	2.9
223.07608	6.7
241.08641	4.9
251.06897	5.2
251.10722	4.7
269.08041	26.1
271.09708	13.8
297.11160	23.4
315.12225	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64384	2.8
63.79492	3.8
67.00380	3.2
79.31333	3.5
85.02917	7.7
86.77232	3.4
91.05486	5.0
91.70979	5.7
102.90167	3.6
116.69951	3.8
119.04923	5.3
121.06505	7.0
129.07014	4.8
131.94397	3.6
135.04405	73.3
137.05966	4.4
148.05170	3.9
149.05991	37.4
161.05940	6.5
175.07567	17.3
216.59662	4.1
269.08005	27.0
271.09549	10.2
297.11325	14.5
315.12271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36059	5.2
52.47976	5.3
63.53381	6.6
71.04980	44.1
80.59161	5.6
82.19147	6.1
85.02892	61.8
91.05467	22.7
97.36106	6.4
103.05532	9.0
119.04956	17.8
122.03643	8.8
129.05472	22.2
129.06961	8.8
137.05969	91.6
145.06509	7.9
149.05975	9.8
151.07532	96.0
156.16663	7.9
157.06421	7.7
161.05994	12.6
163.07553	27.6
164.09210	8.8
167.08598	8.9
175.07472	13.6
177.09071	18.7
184.87819	8.4
189.09132	31.1
195.08096	16.1
227.10675	22.8
255.10167	31.4
276.25998	7.5
285.11343	17.4
287.12692	35.8
313.14276	40.7
331.15384	100.0
343.15515	10.0
402.79535	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	524.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67691	5.2
55.05504	7.4
55.98909	4.6
56.33445	4.5
56.79225	5.3
58.07350	4.1
58.49208	4.8
59.57320	4.9
60.08144	31.0
67.05495	13.7
67.17735	4.5
69.07047	5.3
70.06611	5.2
70.45901	4.8
79.05488	8.0
81.07047	22.4
82.14438	6.1
85.10223	5.0
91.05462	6.8
91.71547	9.2
93.07054	5.9
95.04930	6.2
95.08597	15.1
100.02239	6.4
105.06986	8.2
111.08088	6.0
116.07069	7.9
121.10120	8.2
125.01774	5.5
126.02458	18.0
127.03268	68.5
140.91792	5.5
145.04289	72.7
185.09868	31.6
186.10794	7.1
192.09381	5.6
193.57996	6.1
278.98877	6.4
283.10931	6.4
480.32489	100.0
524.25012	13.4
524.31854	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13329	1.1
53.03980	1.9
54.63618	1.4
55.01868	2.0
55.05514	5.1
57.03432	1.8
59.33537	1.3
65.03937	2.3
65.65202	1.3
67.05498	39.7
67.05826	2.8
69.07045	8.6
71.04989	1.5
79.05485	9.2
79.74604	1.3
81.07046	40.8
81.56875	1.3
83.08636	6.7
85.06571	2.0
88.80421	1.7
91.05468	21.5
91.05940	1.5
91.71075	3.6
93.07034	22.1
95.08601	34.4
97.06560	2.8
97.10211	4.5
97.27202	1.5
105.07059	3.2
107.08607	12.2
109.10146	13.2
111.08073	3.3
119.04952	20.1
119.05682	2.2
119.08599	6.5
121.10134	20.8
123.04539	1.7
123.11805	3.7
131.08607	4.4
133.10097	10.0
135.11688	13.6
145.10153	3.1
147.04401	100.0
147.11743	2.5
148.04802	2.3
148.45442	1.6
149.13295	3.1
151.11151	2.9
159.11681	2.1
165.05574	5.8
211.26297	1.7
215.17891	8.7
220.96741	1.5
221.08250	3.4
233.19037	10.4
235.20654	3.1
251.20201	6.5
258.91785	1.8
307.22836	3.1
320.66949	2.0
325.23718	45.6
446.22040	2.0
471.27267	3.6
489.28452	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	524.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.8
57.03419	4.2
65.03947	2.2
65.06667	1.3
67.05499	39.0
67.05840	3.5
69.07047	7.8
71.04975	2.2
79.05481	12.0
81.07050	37.4
83.08615	7.2
91.05476	20.0
93.07042	18.3
95.08600	34.1
97.06516	2.4
97.10176	3.0
105.07017	6.3
107.08585	13.3
109.10156	16.0
111.08082	5.4
119.04948	21.9
119.08601	6.4
121.10145	20.0
122.26839	1.9
123.11700	5.1
125.09579	1.8
131.08588	6.9
133.10129	13.2
135.11685	13.3
137.09651	2.7
137.13306	2.3
145.10155	4.6
147.04405	100.0
147.11688	3.5
149.13249	6.7
159.11736	2.7
165.05452	5.6
173.13278	2.7
215.17920	9.5
221.08037	3.2
233.19005	17.2
235.20558	2.9
244.33070	1.8
251.20073	3.4
289.21207	1.9
307.22708	5.5
325.23691	54.6
333.95328	1.9
471.26984	4.0
489.28220	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	524.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.7
57.07058	0.7
67.05479	1.6
67.32909	0.5
67.76608	0.5
69.07053	0.7
75.64713	0.6
76.52100	0.7
81.07047	1.4
81.61613	0.6
83.08576	0.7
85.10160	2.9
95.08606	1.5
110.75878	0.7
113.09644	1.4
119.03532	0.7
128.11118	0.7
133.06494	1.9
136.06183	100.0
137.04590	0.9
147.08031	2.2
244.52370	0.6
259.16885	0.7
357.35291	0.7
371.25711	1.3
419.35983	0.8
506.31235	10.9
524.25116	1.2
524.32330	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	524.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76810	1.7
51.94092	1.7
52.92104	1.8
57.07048	5.1
67.05486	5.1
69.03429	13.1
72.04498	10.0
79.05450	3.1
80.04996	2.7
89.06009	2.4
91.71101	2.3
94.06527	12.1
96.04530	2.7
98.06048	9.0
100.33171	2.1
104.62023	2.3
109.05238	7.6
112.07600	2.4
114.05524	7.2
136.49396	3.4
140.07051	87.0
166.08672	4.8
184.07423	4.6
206.11769	6.9
290.17468	100.0
398.08890	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	524.371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16436	0.7
51.62066	0.6
53.00264	0.8
56.05019	1.6
57.07056	3.9
58.06588	1.3
60.08157	18.4
67.05486	1.1
69.07049	1.2
71.07364	7.3
71.08618	1.9
80.54498	0.8
81.07031	1.7
83.23148	0.9
84.17327	0.8
86.09697	54.7
91.71755	1.5
92.13226	0.9
95.08620	1.0
98.98450	2.9
104.10738	100.0
109.10120	0.9
124.99998	25.8
136.19286	0.9
155.57401	0.9
183.35385	1.0
184.07333	79.7
259.20804	0.9
506.35989	4.4
524.37067	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	525.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12132	4.7
51.11848	4.0
52.94744	4.6
56.05014	18.3
60.05637	13.3
60.44377	4.9
70.06577	43.9
74.06026	7.1
86.03542	11.3
112.10745	5.4
120.04487	10.5
129.10239	69.5
132.08070	8.1
155.08173	18.9
158.06015	13.0
176.07016	15.2
230.12859	56.7
231.11235	6.6
234.84029	5.9
248.13922	89.4
248.16200	10.3
276.63519	6.3
330.93774	7.6
422.19168	100.0
423.17590	12.0
440.20157	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	525.2482
Annotation	Artelein
Peak:m/z	Relative Intensity
57.07064	100.0
67.05505	18.1
68.50819	10.3
69.03453	14.4
69.84641	9.1
77.71655	7.8
81.07058	16.8
85.06554	30.2
91.05472	17.8
93.07067	12.4
93.25368	10.3
95.05016	9.7
95.08645	8.5
97.81200	10.0
105.07053	14.8
121.06570	9.1
126.63640	9.5
129.07014	16.4
146.39812	9.9
147.08098	11.9
151.07614	16.4
161.05991	23.4
191.10710	37.3
217.12331	22.9
219.13893	12.5
263.13065	10.7
275.02023	11.4
290.40076	9.5
305.22586	9.6
342.35345	12.3
346.00919	11.3
408.20084	10.5
479.24585	16.1
481.26205	12.4
525.24896	36.1
536.06091	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	525.267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46257	2.5
59.47924	2.6
59.53759	2.7
65.10122	2.6
75.37460	2.4
79.05454	3.6
86.01434	2.8
137.33469	3.1
201.88655	3.3
214.16235	3.0
221.34856	3.2
238.19955	3.6
247.70345	3.4
252.88544	3.2
265.22586	3.3
331.09921	10.3
438.03958	3.7
481.32913	5.4
525.26648	100.0
526.26984	5.6
528.00513	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	525.2669
Annotation	Ser Gln Tyr Lys
Peak:m/z	Relative Intensity
55.23195	1.0
96.01854	1.1
102.99551	1.3
128.55437	1.2
147.04346	1.3
157.04643	1.6
181.27177	1.2
195.35873	1.4
203.05211	3.3
232.71095	1.3
259.07892	3.1
277.21777	1.5
331.09891	8.0
337.42154	1.4
455.18674	2.6
525.26678	100.0
526.26996	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	525.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50285	0.5
50.80662	0.5
52.22882	0.6
56.05030	4.4
58.70704	0.6
63.77642	0.6
66.01741	0.6
67.05493	1.4
73.12032	0.7
73.92377	0.7
82.06559	0.9
83.00619	0.7
84.08133	100.0
91.05460	0.9
107.86846	0.7
137.06010	0.9
144.29707	0.7
244.35945	0.8
317.13718	1.0
461.26590	2.0
507.26981	15.2
525.28101	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	525.3571
Annotation	Leptofuranin D
Peak:m/z	Relative Intensity
55.01862	22.0
55.05510	41.1
57.07068	20.6
62.09149	11.4
65.69609	11.0
67.05495	82.4
69.07069	42.4
71.08629	16.0
79.05499	30.5
81.03424	21.9
81.07065	60.3
83.05016	18.9
89.06032	15.9
91.05490	28.7
91.71040	27.6
93.07064	60.2
95.04988	36.2
95.08573	71.2
97.06538	19.0
105.07092	17.7
107.08633	49.7
109.10192	42.2
115.40531	13.1
119.08636	40.9
137.09650	45.5
161.13307	17.8
165.12833	24.5
181.12315	17.2
249.22287	22.0
249.29224	14.2
277.21613	100.0
295.22568	85.1
372.70410	16.7
396.52789	16.8
435.46317	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	526.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	3.0
71.05039	0.9
79.05508	1.3
81.03432	1.3
85.02889	12.6
87.16904	1.1
94.04176	1.5
95.04963	1.2
97.02919	2.6
107.04957	1.6
121.06504	5.3
122.03683	2.9
127.03938	1.3
134.03680	1.5
135.04454	1.7
137.05971	100.0
146.52608	1.2
149.06036	4.0
151.07639	1.3
153.07033	3.6
161.05943	1.3
163.03925	2.3
165.05547	1.6
177.05513	1.2
181.04968	3.0
181.06555	5.9
193.05045	3.8
196.05316	1.5
205.04990	2.2
211.07565	3.6
213.05635	1.7
213.09100	1.5
221.06070	1.2
225.09337	1.3
239.07062	1.5
240.07767	1.2
241.08566	2.4
257.08032	1.3
267.06699	1.7
285.07724	2.9
297.07623	2.1
299.09100	31.0
299.12512	1.7
317.10208	22.4
329.10135	25.7
329.13712	1.8
330.87210	1.2
347.11395	6.7
380.40317	1.4
541.89667	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	526.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.1
53.97771	2.0
57.54972	2.4
69.03413	3.9
69.59194	2.4
72.04509	8.0
75.26387	2.4
78.09293	2.6
81.03461	2.4
85.02894	21.1
85.06541	3.9
88.11489	2.3
90.05544	52.6
91.33987	2.4
95.04971	6.8
97.02886	4.2
98.02448	4.6
103.03830	3.0
110.91132	2.4
116.03458	10.0
124.07603	6.3
125.02421	2.9
127.03898	11.2
131.04880	3.4
131.19374	2.7
145.04913	7.2
163.06001	8.1
167.05739	3.2
167.07082	10.5
184.09721	10.8
200.11221	2.5
202.10770	18.6
220.11794	100.0
239.81891	3.1
297.07590	5.4
328.64639	2.9
458.87668	3.5
494.10449	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	526.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
55.05491	0.9
61.97237	0.3
67.35649	0.3
69.03410	0.4
77.03932	0.3
79.05454	0.9
82.06561	0.3
83.04955	0.3
83.08604	0.8
85.02903	1.9
91.05495	0.3
94.07018	0.3
95.04964	0.6
95.40743	0.3
97.02886	0.5
100.07574	0.6
100.10638	0.4
100.11243	4.0
105.03339	0.3
111.04451	0.5
112.07594	0.4
123.04417	0.7
128.07085	0.6
131.04895	0.3
135.04405	100.0
136.04741	0.9
137.06003	0.4
149.05974	0.4
161.05962	1.5
179.07013	6.2
181.08568	0.3
182.15408	2.6
190.53787	0.4
209.16457	0.8
210.14851	2.4
218.50578	0.3
228.16049	0.4
245.18517	0.3
261.39124	0.3
295.99402	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79688	2.9
53.05999	2.8
56.81719	2.7
59.81467	3.1
69.03436	4.9
72.06229	2.6
76.47210	3.1
85.02888	11.8
91.05465	6.6
97.02875	6.9
97.47899	3.1
103.05433	3.5
103.35760	3.0
107.85690	2.8
119.04974	6.3
121.06498	4.5
123.04427	3.6
127.03885	3.1
129.07007	13.0
131.04915	8.8
137.05974	80.7
137.06956	6.3
147.04416	7.4
149.05954	7.2
151.07524	48.6
156.56918	4.2
157.06491	5.6
161.05956	5.5
163.07539	8.6
175.07516	28.4
195.08035	5.0
212.81789	3.6
221.06166	4.0
221.09520	5.2
225.09222	4.2
241.08711	5.9
253.08565	5.9
253.12280	8.9
271.09607	19.6
273.11218	14.0
299.12668	25.6
302.83078	3.4
317.13785	100.0
437.54410	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	526.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.0
61.84447	1.4
67.05494	9.2
68.23468	1.7
69.03412	8.6
69.06931	2.0
79.05479	5.6
81.03394	3.0
81.07049	7.6
85.02898	33.5
93.03390	3.4
93.07044	12.9
95.08617	4.8
97.02906	5.2
99.04459	4.0
101.31721	2.2
107.08585	4.3
109.02879	4.1
111.04435	18.0
120.12865	1.9
121.10146	22.6
125.05981	6.2
127.03870	11.4
131.08492	2.4
145.04929	9.8
149.09596	38.5
152.87862	2.2
163.05975	15.7
165.97017	1.8
167.10661	100.0
184.13242	2.1
204.08656	3.8
208.13329	4.3
222.29446	1.9
228.11258	1.8
235.18344	2.4
235.83853	1.9
311.14893	5.3
329.09991	2.4
329.15897	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	526.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42044	5.0
60.03025	5.9
60.91399	5.3
67.05491	9.5
69.03442	6.2
69.64476	5.6
71.14213	5.1
79.05488	9.2
81.03396	7.1
81.07055	26.4
85.02888	18.2
91.04424	6.1
91.05474	5.9
93.07036	47.2
95.04956	6.5
95.08621	13.9
96.26607	6.2
105.07019	6.8
116.54382	6.2
121.10146	100.0
123.11716	24.2
137.05984	41.4
139.11195	14.0
149.09628	17.3
150.43507	6.5
151.07521	13.9
160.03928	6.5
167.10674	41.4
175.07565	14.3
181.00113	6.5
218.79286	8.5
271.09634	15.6
275.87146	7.4
299.12747	8.7
317.13754	53.3
340.97470	9.2
426.12100	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	526.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
53.82241	1.7
54.67877	1.8
55.01862	3.1
56.89174	2.0
57.03411	5.7
60.04509	6.7
61.02907	6.9
65.80360	1.9
67.05488	7.1
69.03423	19.8
70.06577	5.4
71.04970	5.1
73.02911	3.4
79.05496	5.6
81.03397	7.4
81.07049	7.8
83.04969	2.5
84.04515	3.1
84.08172	1.9
85.02895	100.0
86.09709	3.4
91.03941	2.4
91.05460	3.7
91.71088	2.8
92.91388	2.0
93.07021	13.0
95.08593	5.7
97.02882	18.8
97.65736	2.4
99.04455	8.4
103.03978	4.0
109.02864	5.5
111.04412	11.3
116.72231	1.9
119.08640	2.2
121.10112	17.1
125.06015	3.4
127.03906	32.7
139.11206	2.2
145.04933	37.6
149.09613	17.6
150.12784	9.5
163.05994	63.6
163.62018	2.1
167.10655	51.6
167.11972	3.7
168.87788	2.3
180.08748	3.3
204.08662	15.7
208.13452	2.8
219.18501	5.2
234.57741	2.3
311.14792	3.0
325.11179	6.0
364.26984	6.7
397.15732	2.6
466.61523	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	526.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96144	2.6
52.39179	2.6
54.29419	2.2
55.05498	7.1
57.03427	3.3
57.07060	4.3
58.80463	2.4
63.95901	2.2
66.66591	2.4
67.05491	8.9
69.03418	4.3
69.07043	4.6
79.05489	5.9
81.07040	20.5
85.02866	6.0
85.06528	8.5
91.05468	7.4
91.71069	6.2
93.07044	16.8
95.04948	4.9
95.08618	19.9
97.06538	3.3
97.10136	6.2
103.05439	3.3
105.07014	6.0
107.08591	19.0
109.06522	9.8
109.10123	14.6
111.03238	3.2
111.04439	26.3
111.08063	7.8
119.08546	10.8
120.08099	72.8
121.10159	5.8
125.09650	3.3
135.08064	5.8
135.11700	48.9
137.05972	11.5
137.09628	17.8
137.13246	10.7
139.11194	14.0
145.10143	4.2
151.11137	3.4
153.12761	18.8
157.12265	22.1
158.38937	3.6
161.09525	3.5
163.11183	54.8
166.08621	100.0
167.57196	3.0
181.12189	19.4
199.13274	54.4
199.15132	4.3
287.19730	3.0
364.21167	14.2
393.50403	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	526.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	84.9
60.80575	7.2
66.77019	6.4
69.07078	15.4
70.98490	6.5
71.08620	72.2
82.29755	7.5
85.10179	43.7
89.06024	100.0
91.71065	8.7
111.23975	7.4
130.08643	36.8
133.08597	99.8
177.11339	35.1
181.96246	8.2
217.59558	7.9
294.93423	9.7
327.20248	30.5
509.40332	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	527.1588
Annotation	(-)-Indocarbazostatin B
Peak:m/z	Relative Intensity
50.81238	2.2
51.02248	2.6
65.79206	2.5
66.21940	2.5
67.35893	2.6
69.03418	8.5
72.08147	4.2
73.38584	2.8
85.02876	16.1
91.71668	3.2
97.02879	4.7
113.31869	2.8
127.03945	4.6
127.85084	3.4
149.30246	3.1
150.53995	3.2
175.28476	3.3
182.08003	4.3
185.04263	5.4
201.06123	3.4
203.05301	12.5
217.58969	3.3
225.13184	2.9
245.05173	5.2
251.28680	3.3
314.35156	3.6
347.09488	6.0
365.10492	99.9
440.64615	5.2
527.15808	100.0
528.16626	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	527.174
Annotation	Pityriarubin A
Peak:m/z	Relative Intensity
51.69366	2.3
52.33363	2.2
54.48602	2.2
70.06577	11.3
72.08149	4.3
77.23026	2.4
84.08109	2.8
88.00887	2.3
103.05442	18.3
117.27808	2.5
129.10190	3.4
131.04924	71.6
163.07571	9.2
185.05745	12.9
240.84627	2.9
268.48215	3.1
301.77573	3.3
309.44458	2.8
471.45020	3.4
527.17279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.264
Annotation	Kosamol A
Peak:m/z	Relative Intensity
53.03937	16.4
53.16553	3.1
55.79694	3.3
57.07067	21.4
63.56097	3.4
63.56771	3.8
65.51376	3.8
67.05494	6.1
69.07056	5.9
70.97026	4.4
75.01405	3.8
79.05489	6.7
81.03410	34.3
83.04983	4.7
91.05472	16.2
97.02828	5.8
105.07057	7.9
107.04951	6.3
117.07043	6.4
123.18974	4.2
147.08115	4.2
151.07523	5.2
153.30379	4.1
163.07526	6.2
165.39136	4.8
175.11186	10.2
200.50478	4.1
200.70682	4.9
203.10689	8.0
217.12270	15.7
247.13321	8.5
263.12781	100.0
279.79675	4.6
417.61609	5.1
465.43515	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2668
Annotation	Murranimbine
Peak:m/z	Relative Intensity
52.70253	7.5
56.63000	6.3
64.51627	7.2
137.06009	19.9
276.35498	9.7
407.23123	20.5
422.90787	11.5
425.24335	11.9
491.28949	100.0
527.26831	78.2
536.58771	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	528.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39143	1.0
56.17673	0.9
63.46010	0.9
63.57532	1.0
79.05482	4.4
81.07039	2.6
85.02887	1.8
91.05460	2.3
94.04183	3.2
103.05473	4.3
107.04933	3.8
109.06514	1.8
122.03660	3.9
125.05994	2.6
131.04916	9.6
135.04404	2.8
137.05971	100.0
148.05196	1.2
149.16554	1.1
163.03882	4.9
163.07513	19.7
166.02620	3.4
177.05473	2.9
181.04941	70.0
189.05446	1.3
196.60123	1.0
198.07677	1.2
207.06482	8.5
222.07420	1.3
234.44740	1.0
313.10654	40.9
331.11765	22.2
470.13962	1.3
519.77576	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.4
55.05483	3.9
57.07068	72.2
57.07352	3.6
59.04998	2.3
67.05485	6.1
69.07038	3.8
71.08624	34.7
73.06542	8.6
79.05478	5.3
81.03432	3.6
81.07053	3.0
83.04960	7.1
83.08610	5.4
85.06539	17.1
85.10178	35.7
86.09666	2.9
87.04459	7.7
89.06025	100.0
91.05466	9.0
93.07011	3.9
95.04971	10.5
95.08620	4.4
97.10150	2.1
105.07034	5.8
107.04929	3.3
107.08627	2.0
109.06509	2.2
111.04433	11.6
114.09200	2.3
115.05437	2.2
117.07021	8.9
117.09142	7.8
119.04938	2.3
119.08530	2.0
121.06487	2.0
123.04452	10.3
125.09601	3.2
128.06273	2.6
128.95201	1.8
129.07011	5.0
130.08641	29.1
131.08556	2.8
133.06497	2.9
133.07562	2.8
133.08594	55.4
135.04413	2.3
137.09560	9.5
141.16374	3.7
142.07813	2.6
143.08519	2.7
145.06480	18.8
145.10197	2.3
147.07973	2.4
151.84479	1.7
157.06519	4.6
158.07245	2.3
159.08078	8.1
161.06087	2.5
161.11696	2.2
171.08124	3.7
173.06009	3.8
173.09735	2.2
175.07565	5.4
175.11198	2.1
177.09056	2.1
177.09689	2.3
177.11195	21.1
179.08540	2.7
187.07547	4.7
187.11111	2.4
189.12756	2.2
195.08066	1.9
199.11200	2.6
201.12675	11.9
211.07401	2.6
213.12744	3.2
217.12080	3.2
221.13885	2.2
226.21625	7.4
229.12213	87.2
229.21571	16.6
231.13693	4.8
233.09450	2.4
241.12274	13.2
243.14009	4.5
245.11790	6.6
247.13347	4.2
259.13318	9.5
273.24289	6.0
277.14346	5.4
319.13290	2.2
345.18393	3.1
351.15982	2.2
353.21045	3.5
363.19733	2.7
371.22641	7.7
373.17828	6.3
391.19296	3.4
429.24268	6.4
439.22565	3.0
447.25150	8.6
457.23743	20.4
475.24658	28.0
493.25626	12.2
511.38458	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	528.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	6.8
56.96917	4.0
57.07070	76.3
67.05502	10.6
69.03401	4.7
69.07066	8.7
79.05476	9.0
81.03434	6.7
81.07046	9.6
83.04968	14.1
85.06534	28.2
86.27762	4.0
89.06012	4.9
91.05467	19.0
93.07038	8.9
94.07620	4.4
95.04963	34.5
96.57322	4.4
105.07038	17.2
107.04954	10.4
111.04422	5.0
115.05506	4.7
117.07027	11.1
118.27784	4.5
119.08630	5.7
121.06497	8.2
123.04404	11.0
123.50163	4.8
128.06256	5.6
129.06920	9.6
131.08582	5.2
132.22031	4.9
133.06500	10.1
133.18031	4.8
135.04427	10.2
135.08087	7.1
136.68939	4.9
137.09624	22.9
141.07045	6.9
143.08551	7.3
144.17561	5.4
145.06509	19.3
147.08041	11.7
151.07619	6.5
157.06462	8.3
159.08041	13.7
163.07532	5.7
165.09103	6.4
171.08115	5.8
173.05963	11.9
173.09618	8.1
175.07593	9.6
182.64793	5.3
187.07549	12.0
192.09683	5.3
199.07448	5.3
201.12697	10.3
229.12186	100.0
231.13770	9.9
233.09656	7.8
233.15324	5.9
241.12285	17.1
243.13831	23.4
245.09549	6.2
245.11775	10.5
247.13339	7.6
293.20944	5.1
325.21417	15.2
335.16357	6.5
353.21167	9.1
373.18192	7.9
400.99985	5.7
401.17093	6.3
429.24393	6.5
439.22818	7.8
457.23697	27.3
475.24753	50.0
493.25790	15.4
510.94287	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02251	3.3
55.05502	17.4
67.05491	8.7
69.07050	15.5
81.07066	10.9
81.86034	3.9
83.08611	7.7
89.06007	8.5
91.05464	5.2
91.70998	9.7
97.10160	5.0
103.30275	3.5
105.80123	4.1
106.06528	27.8
111.22522	4.4
118.05717	4.3
118.06544	16.1
119.07318	9.0
120.08099	63.6
124.46799	4.3
132.08078	35.7
133.41617	4.9
134.09673	11.5
146.09647	12.0
156.24272	4.5
160.11208	6.3
174.12755	4.9
284.27829	4.6
356.33102	100.0
497.87518	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	528.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02251	3.3
55.05502	17.4
67.05491	8.7
69.07050	15.5
81.07066	10.9
81.86034	3.9
83.08611	7.7
89.06007	8.5
91.05464	5.2
91.70998	9.7
97.10160	5.0
103.30275	3.5
105.80123	4.1
106.06528	27.8
111.22522	4.4
118.05717	4.3
118.06544	16.1
119.07318	9.0
120.08099	63.6
124.46799	4.3
132.08078	35.7
133.41617	4.9
134.09673	11.5
146.09647	12.0
156.24272	4.5
160.11208	6.3
174.12755	4.9
284.27829	4.6
356.33102	100.0
497.87518	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	528.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02251	3.3
55.05502	17.4
67.05491	8.7
69.07050	15.5
81.07066	10.9
81.86034	3.9
83.08611	7.7
89.06007	8.5
91.05464	5.2
91.70998	9.7
97.10160	5.0
103.30275	3.5
105.80123	4.1
106.06528	27.8
111.22522	4.4
118.05717	4.3
118.06544	16.1
119.07318	9.0
120.08099	63.6
124.46799	4.3
132.08078	35.7
133.41617	4.9
134.09673	11.5
146.09647	12.0
156.24272	4.5
160.11208	6.3
174.12755	4.9
284.27829	4.6
356.33102	100.0
497.87518	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	528.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54061	1.9
55.05497	2.9
55.68563	1.9
56.65085	2.1
57.06839	2.8
57.07071	33.7
63.44053	2.3
64.31355	1.9
71.08623	31.6
71.40912	1.8
73.06545	7.0
80.99767	2.3
83.08610	4.5
85.10176	25.4
87.04466	6.4
88.36417	1.9
89.06023	100.0
91.05490	2.6
91.71078	4.4
91.84783	2.1
99.11727	3.7
101.53823	2.2
114.09203	2.6
117.09136	7.9
130.08638	14.2
133.08607	49.0
158.62059	2.6
165.45233	2.2
173.90085	2.7
177.11223	18.8
181.37268	2.3
221.13730	3.7
226.21741	6.4
229.12271	2.5
229.21552	12.6
273.24246	4.0
273.48032	2.7
371.22803	3.5
397.69760	2.6
511.38263	11.0
528.41742	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	529.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66467	4.5
57.07063	10.0
57.47092	5.3
61.42093	5.4
79.51734	5.5
80.37224	5.8
81.07056	6.3
89.05986	6.2
91.05500	5.7
104.79239	5.8
109.10173	6.5
114.96255	5.2
138.24442	6.7
149.11232	6.5
153.33096	5.6
170.55235	7.1
201.12863	6.2
269.15100	100.0
283.09393	16.7
305.17462	13.7
306.17813	7.4
310.17700	12.8
324.12045	14.8
329.00464	8.1
386.95099	6.3
447.06232	7.6
529.25708	74.0
546.51886	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	529.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75735	11.8
58.26757	13.1
67.05485	15.7
79.05477	21.1
81.07092	15.8
91.70996	30.1
121.05018	16.3
129.06735	16.0
131.04857	17.0
131.08537	19.0
145.75545	16.0
170.94720	14.9
186.15128	16.4
201.03119	79.1
222.04956	15.8
260.56430	16.4
367.18784	100.0
463.19821	16.9
529.25610	42.9
557.96240	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58700	1.5
69.38254	1.8
70.06581	100.0
70.29047	1.7
86.09689	6.1
91.67764	1.6
91.71679	2.6
97.39326	1.6
103.95643	1.8
106.76217	1.8
112.83445	1.9
125.07124	7.4
127.08654	10.8
130.06551	2.2
144.08104	4.0
155.08165	7.2
159.09177	16.3
167.39264	1.8
175.82547	1.9
190.97623	2.3
229.18210	2.1
245.09259	5.7
256.14410	7.1
262.11932	4.1
284.14078	5.1
344.39865	2.1
348.40463	2.0
359.17157	19.6
416.19089	3.9
426.24722	4.8
529.16687	13.3
529.27045	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	529.2774
Annotation	Terpenoid EA-I
Peak:m/z	Relative Intensity
52.86550	2.3
58.57485	2.4
75.80753	2.5
79.39771	2.5
83.04562	2.4
96.01038	2.4
119.50517	2.8
177.73598	4.1
365.22961	14.7
479.27008	3.5
529.27704	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60514	1.6
52.03114	1.5
56.11042	1.5
60.39858	1.5
64.06541	1.7
67.05489	2.2
74.55810	2.1
95.36698	2.1
170.42252	2.2
218.13760	2.2
224.47958	2.1
264.31277	2.5
365.23016	17.7
405.56955	2.2
529.27716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24605	2.6
66.60600	2.0
67.05492	2.3
74.89156	2.4
81.07029	2.7
105.51550	2.5
124.88660	2.6
147.04440	4.7
159.06642	2.6
194.07033	2.7
358.33304	2.7
365.22958	22.8
368.73471	2.8
529.27747	100.0
530.27826	4.0
552.25085	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	14.4
54.52053	11.1
57.07057	99.1
67.05497	27.5
79.05476	12.6
81.07022	17.5
81.82930	13.6
85.06531	51.7
87.67145	15.6
88.31200	16.2
91.05456	97.8
91.71637	35.2
93.07043	23.3
95.04960	26.8
95.08602	27.9
100.15390	15.4
105.07058	31.0
107.04941	19.3
117.07022	62.1
119.04922	34.5
119.08646	16.2
123.04456	22.4
131.08592	26.8
133.06483	20.4
137.09586	36.1
145.06451	24.9
151.07616	28.8
163.07536	22.0
175.11211	60.0
201.12755	53.8
212.20364	17.4
217.12256	24.1
219.13893	27.7
229.12209	43.8
247.13255	100.0
265.14453	27.9
479.70914	23.3
480.03571	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60247	6.8
56.61837	6.9
57.07069	34.0
58.73337	8.1
62.17200	6.6
62.57608	6.7
67.05470	8.8
67.65349	7.1
67.92013	8.4
79.05478	14.9
82.67159	8.9
85.06525	18.3
91.05468	19.2
91.71718	18.1
93.07024	14.1
95.04956	14.5
95.08615	16.1
105.06998	12.2
107.04946	10.2
121.06474	10.0
132.65520	9.0
145.06493	11.2
151.07535	77.2
163.11235	10.7
167.10750	9.3
168.42999	10.3
172.34302	10.4
175.11259	12.0
179.10593	9.2
219.13719	16.8
229.12251	10.7
237.14854	13.1
247.13287	13.0
265.14365	100.0
276.15872	8.9
327.05963	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	529.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60247	6.8
56.61837	6.9
57.07069	34.0
58.73337	8.1
62.17200	6.6
62.57608	6.7
67.05470	8.8
67.65349	7.1
67.92013	8.4
79.05478	14.9
82.67159	8.9
85.06525	18.3
91.05468	19.2
91.71718	18.1
93.07024	14.1
95.04956	14.5
95.08615	16.1
105.06998	12.2
107.04946	10.2
121.06474	10.0
132.65520	9.0
145.06493	11.2
151.07535	77.2
163.11235	10.7
167.10750	9.3
168.42999	10.3
172.34302	10.4
175.11259	12.0
179.10593	9.2
219.13719	16.8
229.12251	10.7
237.14854	13.1
247.13287	13.0
265.14365	100.0
276.15872	8.9
327.05963	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	529.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33981	0.9
53.59879	1.1
55.05488	4.4
55.52193	1.0
57.07061	1.2
58.06594	100.0
59.04983	2.3
67.05486	3.1
74.26361	1.1
79.05499	1.7
80.71140	1.1
80.75805	1.1
81.07044	20.1
83.04979	4.0
83.08616	11.1
84.08137	7.6
95.08605	2.9
123.11691	16.7
140.14336	24.4
266.64746	1.4
275.16461	1.4
285.43372	1.3
342.26404	6.3
357.90231	1.3
431.11227	1.3
457.37778	1.4
461.35446	1.7
482.38358	7.3
529.38464	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67389	10.8
55.05494	16.6
62.12223	9.8
67.05495	57.4
69.07066	14.2
72.86609	9.7
79.05489	33.3
81.07047	48.1
83.94007	13.9
91.05478	33.8
93.07043	48.4
95.08611	29.4
105.07010	27.6
107.08607	23.7
109.10158	13.9
117.06994	11.5
119.08574	21.6
131.08572	28.8
138.11897	12.4
140.13904	11.9
145.10094	20.8
147.11652	16.1
419.32574	15.7
437.34409	17.6
529.38916	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	30.9
55.97587	6.3
57.07070	10.0
67.05498	88.7
69.07053	27.9
69.15381	7.2
70.95007	6.0
71.04980	6.9
71.83874	5.2
75.01434	6.0
77.40755	6.9
79.05483	28.8
81.07047	97.3
83.08613	24.3
91.05457	41.3
91.62776	6.0
93.07045	47.2
95.08603	46.1
97.06498	7.3
97.10161	10.9
105.07016	22.9
106.06505	7.0
107.08569	25.3
109.10167	18.8
117.07009	10.6
119.08580	16.6
120.08114	14.2
121.10146	23.9
123.11703	11.1
131.08563	19.9
132.08136	11.0
133.10120	14.2
135.11707	14.8
143.08546	9.7
145.10175	13.9
147.11691	8.9
149.13225	18.9
159.11661	16.4
205.18195	6.5
217.67461	7.5
255.23117	8.0
356.33350	7.3
357.33398	22.0
384.45135	6.9
385.66327	7.8
506.51190	9.5
529.38782	100.0
544.46936	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	529.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15100	7.5
51.72104	6.3
55.05505	21.5
67.05488	74.0
69.07047	24.9
71.76839	7.0
79.05475	52.8
81.07043	100.0
83.05000	7.7
83.08634	9.2
91.05470	36.0
91.71706	7.6
93.07036	69.8
95.04955	7.7
95.08611	39.3
97.06527	10.7
105.07027	34.9
107.08601	31.6
113.52846	10.1
117.07002	16.8
119.08585	23.4
121.10133	38.8
131.08586	19.5
131.50723	9.4
135.11740	15.0
145.10135	11.4
147.11584	9.8
149.09489	10.2
149.13260	20.8
159.11743	13.6
181.55295	8.9
183.26218	11.6
407.26550	10.4
464.24475	11.5
473.03232	11.7
529.39014	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16728	5.6
60.05030	6.3
65.29345	6.7
70.06573	14.9
79.05483	13.7
81.03410	80.7
81.07051	12.7
83.04975	8.8
91.05473	23.0
92.32920	7.3
93.07027	11.3
95.04971	19.2
105.07024	25.4
107.04944	22.2
107.08586	19.9
109.06516	10.2
109.10192	9.9
111.04456	7.2
119.08602	19.1
131.08574	16.6
133.06502	11.2
133.10149	20.7
135.08049	34.9
143.08617	11.4
145.06528	18.5
147.08070	29.5
155.08493	9.2
157.10159	8.5
161.09584	41.1
165.09123	7.5
173.05972	8.7
173.09578	13.6
173.13283	16.1
179.10704	8.6
183.11676	12.2
201.12749	44.5
229.12300	11.1
247.13237	100.0
289.14398	18.3
306.72095	8.9
309.26648	9.6
347.81143	9.3
351.76065	8.8
431.52707	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	530.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56944	0.6
52.87295	0.6
53.03942	0.8
53.28919	0.6
55.05490	2.2
67.05499	3.7
69.03401	1.1
69.07034	0.9
70.06559	0.6
71.05014	0.6
79.05485	14.2
80.00598	0.6
81.03394	3.0
81.07043	8.1
83.04977	5.5
88.00115	0.6
91.05464	6.6
91.71041	1.8
93.07022	5.8
95.04952	4.4
95.08591	7.3
97.06531	4.6
100.30988	0.7
103.82349	0.7
105.07008	2.5
107.04934	2.8
107.08537	1.4
109.06525	1.2
117.07008	5.2
119.08582	1.9
121.06496	6.1
121.10146	0.9
123.08038	3.7
125.05982	3.5
131.08557	3.8
135.04433	1.2
135.08066	1.4
145.06453	2.6
145.10112	1.4
147.07951	0.9
149.09624	10.9
155.08612	1.1
159.08006	1.3
162.05318	0.8
173.05928	0.9
173.13281	1.3
183.11722	1.1
191.07051	2.7
193.04362	0.7
201.12761	3.1
205.08633	4.2
227.45134	0.8
229.12224	2.1
235.59142	0.9
247.13269	100.0
361.55896	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1835
Annotation	Isoswertisin 2''-O-(2'''-methylbutyrate)
Peak:m/z	Relative Intensity
53.96092	1.8
54.41573	1.8
60.45913	2.7
63.92825	1.9
77.76089	2.1
78.04431	2.3
85.09645	2.8
89.11594	2.3
105.04856	2.3
105.06909	2.9
189.05197	18.0
190.06056	4.4
207.15945	2.4
346.07397	2.6
352.11169	2.9
369.13055	8.8
531.18323	100.0
532.18463	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	531.2048
Annotation	Phenazostatin B
Peak:m/z	Relative Intensity
60.32803	1.7
63.41707	1.5
119.16405	1.7
153.09431	2.0
158.42834	2.0
185.04251	4.8
194.54364	2.4
203.05310	4.4
239.37039	2.6
241.28189	2.1
276.36340	2.2
369.15186	100.0
389.71683	2.1
400.26840	2.2
531.20453	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	531.2928
Annotation	Leu Asn Arg Glu
Peak:m/z	Relative Intensity
55.79416	5.9
70.43483	6.7
83.13038	7.3
91.05502	10.5
95.28629	7.1
107.08613	8.5
168.47748	8.2
202.09091	9.8
223.24411	8.4
367.24622	17.0
531.29169	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2928
Annotation	Leu Asn Arg Glu
Peak:m/z	Relative Intensity
67.05492	2.5
79.05463	2.1
80.26130	2.0
81.07022	4.1
82.12841	1.5
87.73415	1.6
91.05470	1.9
93.07029	2.3
126.72741	1.7
129.69112	1.9
147.04376	1.8
203.75693	1.8
204.11906	2.0
209.50711	1.9
252.01494	1.7
367.24506	17.5
375.63419	2.0
387.66049	1.9
531.29260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2929
Annotation	Leu Asn Arg Glu
Peak:m/z	Relative Intensity
50.84468	4.6
51.09780	5.3
54.80879	5.3
54.86919	4.9
59.09121	4.2
67.05489	5.2
71.34461	4.9
79.05458	6.5
81.07042	7.2
84.38007	5.0
91.71555	8.9
92.25920	5.1
95.08640	5.4
99.75482	5.3
119.08596	6.9
139.07323	5.5
139.47639	6.8
268.00110	7.6
334.28568	7.0
367.24564	26.0
531.29248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2927
Annotation	Leu Asn Arg Glu
Peak:m/z	Relative Intensity
55.21655	2.8
57.57500	2.4
67.05496	10.4
71.12556	2.5
73.34187	3.3
73.38949	2.9
79.05501	4.9
81.07040	4.4
86.56477	3.3
91.05452	7.3
93.07024	8.7
93.83421	3.2
95.08611	6.4
105.07035	9.1
107.08572	10.9
117.07037	5.4
119.08538	5.4
133.10112	3.2
135.08034	5.1
140.38991	3.8
147.04419	8.0
147.05609	3.6
147.11693	7.0
161.13199	3.5
162.48857	3.2
163.07547	5.9
198.45753	3.1
199.09666	13.1
246.73021	3.2
259.20477	7.2
322.66837	3.8
367.24841	8.5
531.29248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3656
Annotation	Cordianol F
Peak:m/z	Relative Intensity
74.58745	5.0
75.72726	4.5
87.04481	5.9
91.22292	5.7
121.10197	6.0
176.79373	5.6
294.69025	6.3
316.66223	6.5
531.36719	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29152	3.8
56.82086	4.0
59.46300	4.4
78.08833	5.1
87.04475	5.6
88.97770	4.9
160.37746	5.7
225.59822	5.5
239.09760	6.5
531.36963	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	22.2
60.82890	8.2
63.52600	10.8
67.05497	97.0
69.07056	27.3
79.05496	64.3
80.20183	9.1
81.07053	84.1
83.04964	10.3
83.08613	11.4
87.53111	10.5
91.05459	63.4
93.07037	94.7
95.04960	16.7
95.08602	46.5
95.09171	8.8
97.38127	8.7
105.07039	33.5
107.08611	31.8
109.06526	13.4
109.10157	16.1
115.28143	11.1
117.07026	11.7
119.08563	11.9
121.10178	31.0
129.07097	14.1
131.08591	17.0
133.10120	24.7
135.11710	18.6
145.10088	11.9
147.11711	24.3
166.31314	11.2
171.11705	16.1
207.13802	16.2
223.14964	10.7
281.17490	36.3
307.22797	14.7
312.78091	12.8
513.35815	53.1
531.38593	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.4
55.05509	14.5
55.35122	2.0
57.03428	18.6
64.77337	2.1
67.05495	66.1
68.58186	2.1
69.03419	3.2
69.07050	9.9
71.04972	3.8
79.05480	35.5
81.03414	21.3
81.07048	52.3
83.04974	13.8
83.08605	8.7
91.05473	100.0
93.07036	37.5
95.04958	13.5
95.08599	30.5
97.02870	6.9
97.06513	6.8
105.07029	38.3
107.04966	9.5
107.08582	25.1
109.06513	4.7
109.10136	12.4
115.05486	3.2
117.07023	15.0
119.08569	24.4
120.04753	2.3
121.10143	9.3
123.11708	5.1
127.72903	2.5
128.06255	4.5
131.08578	17.7
133.06511	2.4
133.10121	37.8
135.08047	6.5
135.11665	12.1
139.91612	2.7
143.08594	9.8
143.30107	2.7
145.10155	7.1
147.11713	5.4
149.09630	6.9
149.13261	6.3
151.11227	4.0
159.11647	5.9
161.09575	20.1
161.13249	2.8
161.49924	2.3
163.14722	3.0
173.13280	5.4
179.10751	14.3
185.13342	3.0
243.21097	4.7
253.14323	47.4
261.22058	12.6
284.66187	2.9
335.25854	22.4
513.35370	14.0
531.37866	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	531.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41045	1.1
75.96801	1.3
81.07059	1.7
109.97798	1.3
183.69756	1.8
186.60507	1.3
217.69177	1.4
531.38623	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	100.0
62.02320	1.6
71.04984	1.6
73.04777	1.6
78.48119	1.4
86.42891	1.4
91.05782	4.5
98.36211	1.6
100.07593	4.1
103.07570	58.5
114.07353	7.7
127.47575	1.8
147.10146	19.6
164.65578	2.1
167.05481	1.8
181.07138	6.6
185.58357	1.6
207.08643	11.3
239.09355	10.2
251.11270	4.5
263.11292	4.5
295.13885	2.0
531.38428	2.6
532.31049	2.6
532.38708	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	5.5
57.07076	30.3
61.76604	5.3
62.64137	5.4
67.05494	16.8
67.44427	6.1
71.20320	5.8
79.05479	7.1
79.58432	5.6
81.07036	25.5
85.06513	12.1
90.99473	5.2
91.05474	55.4
93.07063	6.7
95.04416	5.3
95.04943	34.8
95.08617	6.2
105.07024	11.4
109.06505	11.3
109.10135	11.7
110.03993	6.5
117.06994	6.9
117.28765	5.9
119.08621	10.0
131.08595	19.8
137.09608	100.0
148.12358	5.7
157.73816	6.4
159.07979	7.4
160.99873	6.9
163.07489	7.6
175.11307	7.6
189.12753	9.6
203.10638	7.0
215.14290	87.7
233.15385	74.2
283.15231	11.5
291.87201	8.3
357.64813	8.2
408.53317	7.6
423.13834	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	532.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	6.8
56.95115	4.8
60.04511	13.6
67.05492	38.9
69.07068	6.1
70.06604	13.2
74.02412	38.1
79.05459	10.4
81.07050	41.1
82.06557	8.5
83.08607	7.3
88.03982	28.5
91.05472	12.4
93.07034	16.1
95.08605	35.4
97.01089	6.5
100.68620	5.8
107.08566	9.1
109.10148	14.9
116.07088	18.3
119.04947	24.4
121.10130	10.2
128.07092	14.0
142.08704	9.1
147.04396	100.0
165.05432	9.8
202.37843	6.5
264.23196	11.5
270.10211	7.0
310.23865	28.7
350.26874	12.1
361.60739	7.7
367.85706	9.1
368.28052	77.9
386.28928	9.6
483.51236	7.7
507.36237	6.5
516.25574	6.7
532.29504	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91349	6.3
52.74912	5.8
65.71683	6.7
67.05492	83.4
69.07057	10.4
72.21276	8.7
75.34090	7.6
79.05467	45.9
81.07040	92.3
81.57232	6.8
83.08593	14.5
85.02884	7.8
91.05459	29.9
93.07043	58.2
95.08601	62.4
105.07025	20.2
106.87344	7.2
107.08629	40.0
108.94218	7.9
109.10147	34.1
117.07009	13.8
119.08569	16.2
121.10096	47.4
123.11720	17.5
131.08572	22.8
133.10175	9.8
135.11694	29.0
135.17258	10.4
138.28725	10.0
145.10086	13.4
147.11739	10.7
149.13304	27.3
159.11710	12.9
163.14815	23.0
173.13293	17.3
222.50142	7.7
243.21085	27.4
261.22073	100.0
335.25275	10.6
335.53491	8.7
353.26865	25.9
482.39984	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	533.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06668	2.2
55.01851	3.3
55.83064	2.7
56.90155	2.2
64.69200	2.4
69.03398	2.6
89.03905	14.0
91.70910	4.5
107.04931	5.3
117.03391	9.3
117.57317	3.2
118.20618	2.8
119.04913	2.9
135.04416	25.6
137.05983	14.8
145.02882	7.0
151.03964	4.8
158.06027	6.3
163.03897	100.0
186.02837	3.2
186.05544	9.1
203.18050	3.6
216.63344	3.5
247.25670	4.2
270.93326	3.5
278.12717	3.6
292.07080	3.7
297.11050	3.8
303.06586	3.2
307.09622	6.2
325.10770	9.1
335.09048	14.5
337.10812	12.1
353.10248	11.6
533.27203	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	533.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
64.06519	0.8
71.78709	1.0
73.88446	0.8
100.62170	1.1
113.76411	0.9
115.05490	1.3
117.05718	1.1
118.06528	20.9
118.07323	1.4
130.06538	1.4
132.08115	5.3
142.06535	1.2
143.07306	1.7
144.08098	13.7
146.06003	59.9
159.09123	4.6
160.07587	1.8
167.03339	7.5
170.05966	4.7
188.07062	100.0
205.09717	37.4
240.62892	1.0
393.34705	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73308	5.4
61.98211	6.6
66.32272	6.2
77.33394	6.5
91.05482	15.8
128.22586	8.1
129.07008	14.3
131.04924	9.7
137.05942	65.5
141.07022	15.7
151.03914	11.5
157.06480	14.1
159.08087	10.3
174.06760	16.9
174.16116	7.3
186.06763	11.3
189.09125	24.9
201.02116	7.8
201.09087	29.5
219.10144	73.8
247.07538	7.9
259.11154	10.2
267.10168	13.3
271.11188	10.4
287.10699	10.5
289.12280	8.8
299.10577	14.2
303.10214	20.6
305.75705	8.3
313.12100	12.0
349.14209	100.0
359.07947	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	533.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68039	2.3
67.53758	2.5
86.55775	2.8
87.38638	2.9
91.71667	3.5
106.04507	3.0
169.24472	2.9
182.92940	3.7
236.54628	3.1
258.82339	3.3
293.55753	3.4
301.45178	3.2
533.25037	100.0
533.34406	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
74.26968	3.4
76.52222	3.7
229.08376	5.3
533.24933	100.0
533.36438	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15159	0.8
55.01845	1.0
56.05024	5.2
56.05285	0.9
56.96558	1.8
57.03428	1.1
58.06587	2.9
60.04514	8.3
65.10249	0.9
67.05534	1.0
68.05019	1.0
69.03424	7.4
70.06586	38.2
71.04984	1.7
71.18194	1.0
72.04472	1.1
72.08125	4.4
73.02912	1.2
74.06081	10.5
74.72827	0.9
77.35053	1.0
81.03397	2.1
84.04498	46.5
84.05006	2.4
84.08151	1.2
85.02904	9.5
86.06065	1.2
86.09704	24.0
87.04420	1.5
87.05604	1.2
89.90125	1.1
91.03919	1.8
93.31286	1.0
96.04472	7.4
97.02891	5.5
98.06052	6.7
98.06597	1.0
98.97576	2.1
99.04436	1.5
101.07150	12.6
103.05470	3.6
105.09362	1.4
108.04453	1.3
109.02898	1.5
116.07090	100.0
116.98629	1.6
126.05515	37.6
126.46842	1.1
127.03923	4.8
129.10185	2.3
130.05064	2.8
130.83502	1.1
131.04912	8.3
138.05501	12.7
140.00090	1.2
141.01474	0.9
142.12270	4.1
143.11807	2.1
144.06561	12.4
146.99681	1.7
147.07597	2.7
159.11380	1.5
163.07593	1.9
168.06526	2.2
186.07588	5.5
187.10889	1.5
187.14415	40.9
204.08711	11.6
215.13925	27.5
242.03214	1.7
260.04434	2.1
277.95300	1.1
283.05933	2.8
312.62460	1.2
330.20200	6.4
422.11218	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73480	3.0
57.47026	3.0
58.68629	2.8
82.01223	3.1
90.02848	3.4
91.07462	3.1
102.70277	3.2
104.47380	3.8
180.79604	3.8
281.47128	3.6
532.38281	4.3
533.28625	100.0
534.29419	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	533.2871
Annotation	Deoxygaudichaudione A
Peak:m/z	Relative Intensity
51.73480	3.0
57.47026	3.0
58.68629	2.8
82.01223	3.1
90.02848	3.4
91.07462	3.1
102.70277	3.2
104.47380	3.8
180.79604	3.8
281.47128	3.6
532.38281	4.3
533.28625	100.0
534.29419	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	533.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04919	14.9
54.19280	11.4
69.68578	14.7
79.97144	14.3
81.07032	17.0
90.94778	13.1
125.27010	13.3
324.83090	15.5
360.20624	17.4
480.21155	18.1
511.25095	18.1
532.38635	33.5
533.28308	100.0
533.35419	21.6
543.00989	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2873
Annotation	Deoxygaudichaudione A
Peak:m/z	Relative Intensity
57.07039	4.2
63.20002	3.8
107.07230	5.0
190.54750	6.2
211.94014	4.9
225.37201	5.4
254.93434	4.3
280.82385	4.2
305.33743	4.9
317.10498	5.5
327.91290	5.2
480.04034	5.4
533.20349	5.9
533.28442	100.0
533.35132	9.1
536.57385	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	533.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14460	2.6
65.08762	2.8
69.44308	3.2
70.07961	2.7
74.03340	2.8
162.50980	3.7
199.61403	3.2
425.69061	4.6
431.02664	3.8
438.40338	4.3
533.28442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2868
Annotation	Deoxygaudichaudione A
Peak:m/z	Relative Intensity
52.14460	2.6
65.08762	2.8
69.44308	3.2
70.07961	2.7
74.03340	2.8
162.50980	3.7
199.61403	3.2
425.69061	4.6
431.02664	3.8
438.40338	4.3
533.28442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2871
Annotation	Deoxygaudichaudione A
Peak:m/z	Relative Intensity
96.27245	7.1
99.15798	9.4
106.82651	8.1
146.07848	9.1
251.17824	7.9
257.57803	9.1
285.74002	9.1
301.28171	8.5
339.54129	8.0
533.28528	100.0
533.34839	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	9.8
55.05497	17.9
57.03434	14.0
67.05495	61.1
67.64682	6.3
69.07051	19.0
70.06568	21.8
71.05009	6.7
79.05486	41.8
81.07053	78.4
81.08401	6.9
82.33038	7.4
83.04966	12.1
83.08621	11.3
91.05473	33.5
93.07047	100.0
95.08600	73.2
99.02341	7.1
102.75538	7.1
105.07028	22.0
107.05035	8.6
107.08613	48.9
109.10168	12.1
110.47692	7.2
116.07077	32.3
119.08578	17.6
121.10137	46.6
123.21043	8.2
130.24805	8.2
131.08574	12.5
133.10133	9.4
135.11679	75.2
145.10136	35.3
147.11630	11.6
159.11816	8.5
163.11209	49.0
215.17993	25.8
227.12787	68.4
233.19090	24.7
283.15460	39.7
307.22675	82.2
347.42764	8.8
498.18680	8.3
515.33673	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.6
55.01859	7.8
55.05497	17.5
56.96540	9.9
57.03414	11.8
58.61324	3.3
65.03926	4.0
67.05495	66.9
68.94716	3.7
69.07066	7.5
71.04970	7.4
79.05489	47.3
81.07047	59.8
83.08623	4.4
85.06568	4.9
91.05476	29.5
93.07033	59.5
95.04962	5.0
95.08592	35.7
97.02892	9.5
99.04457	15.8
99.98071	3.7
99.99525	3.8
105.07052	14.6
107.04920	19.0
107.08588	69.9
109.06495	4.2
109.10130	19.4
111.04427	7.6
117.06991	42.9
119.08604	14.8
120.04118	3.5
121.06508	14.2
121.10130	24.4
123.11722	7.8
125.09598	4.3
128.98488	4.1
131.08533	6.4
133.10112	8.1
135.08043	73.7
135.11726	15.4
145.06477	8.5
145.10130	6.2
149.13271	4.0
153.09142	11.3
159.11728	7.2
160.48299	4.0
163.07538	52.6
171.65536	3.7
173.13188	7.4
181.08577	14.3
199.09647	100.0
199.11411	8.1
243.21082	13.2
255.12276	61.5
261.22122	32.9
317.17834	21.3
317.24506	5.7
335.19220	5.3
335.25729	54.8
337.37692	4.3
358.20361	26.7
408.12173	4.4
460.51944	4.9
473.22235	6.6
515.33362	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	533.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00021	1.9
53.94342	2.1
55.24173	1.8
57.07061	3.1
57.88515	2.0
61.02486	2.1
64.12817	2.1
65.27631	1.8
83.29725	2.1
134.19498	2.3
184.07539	2.4
229.08340	3.4
270.87335	2.6
272.13922	9.0
382.32794	2.8
533.24878	27.0
533.36542	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97668	3.2
60.08149	18.4
61.19634	3.4
68.05030	4.7
70.06593	4.6
72.08139	7.9
84.53317	3.9
86.09692	4.2
95.06078	26.4
99.10006	3.8
107.06058	8.5
112.94320	3.9
113.63603	4.6
113.67673	4.2
125.01752	4.6
126.02497	8.8
127.03268	15.7
139.04033	20.7
141.34155	4.8
142.00272	5.2
167.02763	21.9
184.09045	7.9
185.09872	7.8
193.04379	17.4
221.03786	84.8
221.05737	6.8
263.04834	59.5
315.04996	4.7
431.09476	10.1
490.16431	100.0
534.15411	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	534.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57767	3.3
55.05490	8.7
56.05031	23.1
59.03513	4.3
61.34655	3.9
67.05496	44.2
69.07059	8.1
76.75153	4.2
79.05488	12.1
81.07051	47.1
83.08626	6.1
87.02679	8.5
88.02202	18.2
88.04006	9.5
90.03777	9.1
91.05482	13.9
93.07030	23.0
95.08595	38.1
97.02771	4.1
102.03763	11.0
102.05527	8.4
107.08584	14.8
109.10132	10.9
119.04939	26.0
119.08575	6.8
121.10130	11.6
134.02716	12.8
135.11681	11.1
136.06161	6.4
147.04391	100.0
155.35001	5.0
165.05443	9.2
184.07420	10.1
234.78931	5.6
306.85876	5.4
324.23483	15.2
352.22952	11.3
370.24014	92.9
388.25726	6.1
407.59717	6.0
432.88492	5.1
534.28674	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	534.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.8
55.01868	3.9
55.05511	3.6
55.18641	2.1
55.31648	2.1
57.03424	9.4
57.42237	2.2
65.39445	2.1
67.05500	22.9
69.03429	5.6
69.07064	54.3
69.41798	2.7
71.04981	2.9
73.24355	2.7
73.49320	2.3
79.05482	27.7
81.03403	8.8
81.07056	27.8
83.04966	4.5
85.02895	4.7
91.05463	29.1
93.07047	22.4
95.04990	6.3
95.08597	21.6
97.02888	9.3
97.06545	9.3
105.07041	14.3
107.04929	9.8
107.08595	10.0
109.06538	3.7
109.10145	6.4
117.06245	2.9
117.07025	5.9
119.08585	24.6
121.06532	4.1
121.10151	25.2
123.08065	7.2
125.06036	3.9
129.06999	5.1
131.08527	17.5
133.10153	5.5
135.08084	2.8
137.09641	3.5
143.07033	6.7
143.08539	4.9
145.10107	5.8
147.08067	9.9
149.09645	10.5
150.22328	2.9
151.07605	3.2
157.10184	6.1
165.09126	6.2
183.76752	3.0
199.14789	6.2
217.15875	6.9
245.15381	6.3
247.98141	3.2
257.13913	3.9
278.04456	3.1
319.18982	4.8
334.62302	3.9
337.20044	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	534.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99495	2.9
55.05504	4.8
56.50537	2.9
56.60457	3.4
57.03414	13.8
57.07050	6.9
67.05494	30.2
69.07043	10.9
71.08619	13.2
79.05455	5.3
81.07049	29.8
83.08604	5.2
91.05486	4.4
91.70986	5.4
93.07038	18.4
93.14380	4.4
95.04967	10.3
95.08581	33.6
97.10194	6.0
103.21490	4.4
105.07007	11.6
107.08572	12.9
109.06506	22.3
109.10138	12.9
111.08119	6.0
121.10139	7.2
123.08084	4.7
123.11710	8.8
131.08614	4.3
133.08521	3.9
133.10141	7.9
147.11787	5.0
149.13255	5.4
165.12709	39.3
184.07285	7.3
195.59830	3.9
221.18958	4.0
221.82327	4.3
263.23642	9.2
293.20758	4.8
319.26358	20.0
337.27332	9.6
349.27499	11.5
357.27942	5.0
375.29065	10.6
393.30035	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47034	1.3
59.40231	1.6
60.08158	8.4
60.91543	1.6
65.65826	1.5
71.07369	4.1
74.50922	2.2
86.09686	32.8
90.64669	1.8
91.70994	3.6
92.09213	1.6
98.98472	3.2
101.86497	1.8
104.10771	4.6
124.99981	20.5
147.36322	2.5
173.84128	1.9
184.07315	100.0
261.61130	2.2
287.83524	2.2
378.92010	2.5
419.77173	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	534.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51012	3.7
55.05496	22.9
56.36368	3.8
57.03418	6.5
57.07061	8.0
57.91801	3.7
61.02892	6.4
67.05496	85.4
69.07052	29.1
70.06572	17.7
71.06921	4.7
71.08650	5.5
72.08153	48.0
73.12222	4.4
73.62594	5.0
75.04481	6.0
79.05497	24.2
81.06603	8.3
81.07050	100.0
83.08611	20.0
85.02894	5.6
86.09691	9.7
91.05486	21.4
93.07045	22.8
95.08586	83.6
97.10151	13.6
104.10737	20.6
105.07050	9.7
107.08591	17.3
109.10162	38.2
116.07097	18.6
117.07404	9.0
118.08641	36.8
119.08592	9.0
121.10146	21.9
123.11713	26.1
133.10170	9.0
135.11694	14.4
137.13248	5.8
147.04416	11.7
147.11681	11.3
149.13255	9.8
152.76422	5.4
161.13281	11.6
163.14697	9.6
165.16394	9.8
175.14859	10.8
180.08676	6.3
184.07454	8.0
209.11938	5.2
214.44453	5.7
223.42792	5.1
245.22612	47.0
263.23679	58.6
337.27301	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	534.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75821	10.9
55.05482	13.6
57.07075	20.9
59.23755	12.0
59.63971	11.5
67.05483	45.5
67.05836	14.1
69.07043	23.6
79.05480	15.4
81.07050	71.2
83.08625	26.0
86.30725	14.4
87.67184	13.9
91.05463	32.3
93.07037	28.1
95.08616	45.5
107.85428	13.8
109.10135	19.7
113.65598	13.7
117.06852	13.4
119.08591	28.5
121.10141	21.9
123.11643	17.5
133.10146	29.8
147.11630	15.8
161.13293	23.0
175.14944	17.8
183.33824	14.9
245.22661	59.6
263.23709	100.0
299.43759	17.4
312.72003	15.6
403.18405	16.0
510.68307	15.8
534.34656	48.1
559.99097	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	534.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	22.3
57.03424	8.1
57.07059	11.7
65.36047	5.6
66.55247	5.5
67.05492	96.8
67.08809	5.8
69.07057	30.4
70.06210	5.5
71.03921	5.7
79.05479	22.0
81.06608	8.2
81.07050	100.0
81.23225	6.0
83.08601	26.2
85.10180	9.3
85.12428	7.0
91.05460	13.2
93.07029	23.6
93.20033	5.9
95.08597	77.1
97.06513	15.3
97.10175	16.0
99.08086	9.8
104.27285	6.4
105.06985	9.0
105.96664	7.7
107.08608	16.8
109.10141	43.9
118.42245	6.4
119.08542	14.9
121.10145	29.5
123.11708	18.9
133.10165	20.1
135.11652	12.0
137.13254	17.3
144.53891	6.4
147.11691	11.6
147.66646	6.2
149.13327	8.7
155.65352	6.6
161.13229	15.0
163.14868	7.7
165.16437	13.4
175.14842	16.2
198.01021	6.9
245.22620	59.5
263.23648	83.2
274.68054	7.8
280.02194	8.0
337.27246	46.8
481.32574	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	535.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24893	2.5
66.59386	2.6
74.35464	2.9
89.51580	3.0
94.04153	4.4
111.81254	3.5
115.05453	13.1
122.03648	8.2
137.05969	100.0
139.11206	4.0
140.05428	3.0
142.62306	2.9
143.04915	63.3
151.03908	36.0
151.05006	3.5
161.05922	3.9
165.06979	5.5
165.77444	3.0
166.07799	5.5
175.07565	6.7
177.07037	3.3
180.10619	2.9
193.06471	6.2
194.07253	17.9
203.07068	12.6
205.06523	5.1
205.08522	3.1
221.06053	6.2
222.06839	10.0
230.57954	3.7
233.11412	3.1
237.09222	6.6
238.31508	3.3
246.82684	3.5
250.06430	3.2
265.08615	33.3
267.10016	4.1
297.11148	43.7
306.09625	3.5
315.12418	4.4
435.55096	4.0
505.18750	25.2
517.18536	21.1
535.19641	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	535.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30389	1.8
50.48027	1.8
55.01860	2.7
56.03962	1.8
70.90830	2.2
89.53617	2.4
91.05453	4.5
94.04161	5.0
103.05438	2.4
115.05525	3.7
121.06487	2.4
122.03617	8.7
126.55502	2.3
128.06204	2.9
131.04987	6.7
135.04478	3.6
137.05971	100.0
147.04413	3.9
151.03940	5.8
151.07492	3.2
160.05176	2.9
161.05969	4.5
167.08479	2.9
170.65034	2.7
175.07681	2.6
178.07776	4.0
183.04434	3.6
185.05971	3.3
187.07436	3.0
191.06947	4.0
204.75070	2.6
206.07169	3.4
221.05884	4.8
234.06755	4.5
247.07668	3.3
249.05298	3.0
253.08699	4.5
262.06415	3.2
265.08606	4.1
269.08185	2.9
277.08704	6.5
291.09995	4.5
301.08850	3.4
305.08234	4.7
308.10767	2.7
309.11316	5.1
314.82159	2.6
337.10669	15.3
351.11752	3.2
363.12192	6.7
427.15445	5.4
437.13687	4.3
455.14667	14.1
457.16727	3.4
469.16403	9.1
481.15906	2.9
487.17429	16.4
499.17554	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	535.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53093	3.6
54.75189	2.7
56.96557	42.5
64.78335	2.8
67.05492	4.1
67.27722	2.6
69.18661	3.2
79.05476	4.7
81.07040	4.7
84.96030	5.6
85.02924	3.4
86.09703	3.2
97.99176	6.8
98.97601	9.9
113.33032	3.2
116.98624	7.3
125.81137	3.5
131.00133	4.8
134.99554	4.0
139.01691	3.7
140.00220	6.3
140.98650	6.3
146.45166	3.6
154.01694	5.7
155.00200	8.8
157.01735	4.8
158.99675	18.6
171.91440	3.9
173.01250	21.7
177.00676	18.5
178.01814	5.1
182.01259	27.1
191.02267	19.5
196.02815	34.7
200.02161	16.6
214.03920	15.3
215.02249	8.7
223.03970	16.1
224.02246	4.8
237.05472	17.8
247.51784	3.7
256.05188	6.7
265.04987	4.6
269.14297	4.7
295.12085	7.1
296.25690	4.5
306.59125	4.3
313.13367	8.8
318.13733	15.1
336.14850	17.4
354.15927	7.3
355.14603	4.0
359.16547	5.1
377.17368	5.2
475.18466	39.1
493.19733	17.5
500.96857	4.6
516.21149	100.0
535.17957	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	535.2701
Annotation	GV 150013X
Peak:m/z	Relative Intensity
61.11227	1.0
67.41716	0.8
72.76085	0.9
73.29514	0.8
77.44006	1.0
79.47765	0.8
84.57825	0.9
85.59135	0.9
126.34038	0.9
182.91750	1.0
319.26666	1.0
404.19836	1.8
405.20654	12.0
406.21515	2.8
419.22345	13.7
420.23138	4.5
433.20032	3.9
433.24490	2.8
434.24997	6.0
435.25430	14.8
447.21350	12.4
461.23514	4.1
463.28311	3.2
506.22882	3.3
507.27399	8.5
535.26996	100.0
536.27087	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	535.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	10.4
67.05489	44.3
69.07064	23.9
79.05483	30.2
80.23589	9.2
81.07053	100.0
83.08620	12.2
90.48710	9.0
91.05479	30.6
93.07041	33.1
95.08582	69.6
95.71158	10.8
105.07027	39.7
107.08595	50.7
109.10161	36.9
119.08579	34.7
121.10136	44.6
123.11668	16.1
125.30010	10.6
131.08565	24.8
133.10118	24.7
135.11693	39.2
143.08549	15.1
145.10075	29.0
147.11717	23.2
149.13234	17.6
157.10155	10.6
161.13283	22.0
163.14790	12.7
169.17171	9.3
173.13257	13.7
175.14792	12.3
187.14786	12.6
195.90710	11.7
201.09120	11.7
312.16791	11.8
424.57822	16.3
501.91177	12.8
503.42123	27.6
535.45099	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	536.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12754	1.0
51.65351	0.9
56.05023	1.2
57.03426	0.9
58.85881	0.9
60.83419	0.9
61.02913	1.4
64.00995	0.9
69.03422	2.0
69.91857	1.1
70.06578	2.0
72.08157	1.6
81.03412	2.8
84.04499	1.8
84.08140	1.5
85.02893	15.3
86.09721	2.2
89.03899	4.8
93.17798	1.0
97.02886	4.0
109.02858	1.8
117.03365	10.2
126.05543	1.8
127.03924	3.8
134.03627	2.6
135.04395	2.3
138.05511	2.2
145.02849	26.1
145.04991	4.6
149.05980	6.1
153.05374	1.2
158.06015	2.6
163.03917	3.2
163.05907	1.7
177.05458	100.0
186.05492	16.0
187.06052	1.2
195.06522	55.9
254.68523	1.2
258.23367	1.2
272.25812	1.1
299.06058	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	536.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08134	4.1
55.01858	11.5
55.05500	28.2
57.03421	9.8
58.33767	4.7
60.04528	7.2
67.05502	31.4
69.03406	9.8
69.07045	25.6
79.05487	40.5
81.03418	10.9
81.07047	100.0
83.08627	34.0
85.02904	13.1
91.05469	25.7
93.07034	37.3
95.04960	18.9
95.08585	34.3
97.06511	13.1
105.07032	16.1
107.04947	22.1
107.08575	21.3
109.06517	46.8
109.10182	8.3
111.08066	7.4
117.07014	18.1
119.08583	25.2
121.06501	8.7
121.10151	21.9
123.08095	7.5
131.08589	27.7
133.10115	12.9
135.08078	18.5
137.09645	17.8
145.10117	14.3
147.08098	8.0
149.09616	36.7
151.11171	5.9
157.32198	5.8
163.11209	11.4
165.09088	8.0
185.11749	13.7
202.47929	5.6
208.31578	6.9
229.15892	9.2
247.17039	36.7
259.19260	6.4
265.17902	14.9
321.20538	89.3
339.21631	73.6
391.21136	9.6
409.22504	8.5
422.11880	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	536.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
55.05513	0.9
56.05031	1.2
57.48511	0.9
58.09944	0.7
60.04519	100.0
60.47263	0.7
61.01460	0.8
67.05492	5.1
69.03422	1.0
70.06584	20.2
79.05486	2.8
81.03408	5.4
81.07042	3.6
83.04959	1.0
83.08652	1.1
83.93853	0.9
84.04488	1.3
85.02843	1.3
86.09689	1.5
91.05495	3.1
93.07041	3.4
95.04963	2.4
95.08597	2.8
105.07036	2.8
107.04970	1.5
107.08595	2.5
109.10150	2.0
111.04441	1.6
117.07027	1.2
119.08571	3.0
120.08092	1.2
121.06475	1.6
121.10154	2.7
128.26169	1.0
133.06374	1.0
133.10112	2.1
135.08046	1.5
136.06207	2.4
137.06012	1.1
137.09608	1.3
145.10170	1.4
147.08032	1.6
152.43253	1.0
157.09975	1.1
249.18419	2.2
267.19431	2.1
273.18475	8.7
290.21295	1.8
291.19403	10.2
308.22305	3.6
331.41098	1.1
360.21826	1.2
465.24850	4.0
482.27313	2.9
500.28329	5.6
518.29395	10.0
536.30725	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	536.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	2.7
57.73196	1.4
58.57191	1.2
58.90278	1.3
60.04529	5.6
65.66656	1.5
69.03429	1.8
70.06590	11.7
72.40804	1.5
75.64702	1.8
81.03423	2.1
81.07046	3.0
83.06099	36.3
84.04503	28.3
85.02906	3.3
86.09700	100.0
88.45225	1.5
91.05500	2.4
97.02917	1.8
101.07138	8.1
107.04946	8.0
108.73158	1.4
119.05002	4.8
120.08070	1.9
129.06613	3.1
135.06854	2.7
135.58543	1.5
136.06473	2.6
136.07571	48.9
137.05978	2.5
174.09325	1.8
200.06940	1.7
202.08597	23.9
219.11450	5.1
227.31335	1.8
245.18600	7.5
246.12302	22.6
247.10719	21.8
247.12935	1.8
264.13370	14.2
274.11710	8.8
275.10489	3.9
292.12860	11.3
360.18787	2.0
387.20456	5.3
388.18814	5.3
405.21255	9.6
518.29907	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	536.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.8
55.01857	7.2
55.05507	23.5
55.05732	4.2
55.76411	3.9
57.03416	11.4
61.02905	6.8
63.94455	4.5
67.05489	22.1
67.72337	4.3
69.03434	7.8
69.07056	20.5
70.25350	3.8
71.04988	4.7
79.05491	26.0
81.03398	7.1
81.07047	92.8
83.08619	39.5
85.02883	7.8
91.05464	22.1
91.70982	5.5
93.07037	37.9
95.04967	12.1
95.08597	35.4
97.02888	8.8
97.06537	9.7
105.07017	16.6
107.04942	17.6
107.08596	16.2
109.06528	55.7
109.10194	9.8
111.08061	9.3
111.79498	5.0
116.07085	6.6
117.07019	18.3
117.13576	4.3
119.08560	22.4
121.06474	7.6
121.10141	19.5
123.08024	11.1
131.08572	15.3
133.10193	8.3
135.08044	12.9
137.09628	16.8
145.10135	9.0
147.11635	6.5
149.09610	25.6
163.11157	15.1
229.15910	7.2
247.16872	23.8
253.72945	6.0
265.17810	12.1
321.20554	100.0
321.23981	8.4
339.21588	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	536.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70084	1.5
56.05008	2.1
58.06583	2.3
60.08154	23.0
60.14029	1.6
60.96850	1.9
67.05484	8.7
67.67966	1.8
68.29288	2.0
71.07359	9.6
75.48509	1.9
79.05483	2.6
81.07042	7.5
86.09697	63.0
93.07058	4.2
95.08584	5.0
104.10033	5.0
104.10736	100.0
117.06978	2.0
125.00010	27.7
147.04454	4.2
152.79147	2.0
163.03900	4.3
184.05708	4.6
184.07332	86.3
186.16141	2.2
190.53032	2.0
196.16310	2.4
269.25751	2.1
500.31314	3.5
518.32349	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	536.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04771	1.0
52.84653	1.2
54.82891	1.1
55.05511	1.2
56.50297	1.1
60.08161	6.8
67.05490	5.4
70.06574	3.5
71.07354	4.0
76.02180	1.4
81.07044	4.4
86.09696	42.2
91.05458	2.5
93.07034	3.6
95.08595	4.6
97.34048	1.2
104.10767	3.1
105.07002	2.1
107.08587	1.7
121.10126	1.6
125.00001	21.0
147.04408	3.0
163.03920	4.2
165.05511	1.6
165.35765	1.4
175.90413	1.5
184.07330	100.0
356.22543	5.6
476.37231	2.0
518.32269	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	536.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30825	1.7
51.58834	1.9
52.08791	2.1
52.66990	2.4
54.76523	1.9
56.41424	2.1
57.07068	14.3
57.64138	1.8
65.72232	1.9
69.07043	2.1
70.57018	2.0
73.25809	2.2
74.56945	2.0
91.05474	31.0
93.07012	2.9
99.97324	2.2
104.78075	2.4
105.07023	11.6
107.08585	5.2
119.08563	20.6
121.06491	3.7
121.10126	41.8
133.06438	3.8
133.10107	22.4
137.51089	2.3
147.11682	31.2
175.11186	18.4
188.14447	2.9
198.12773	30.2
200.24657	2.5
268.05148	2.9
283.13757	5.3
283.16885	100.0
283.92081	2.7
284.17194	4.3
339.23135	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	536.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24546	1.1
51.20802	1.1
52.70147	1.3
55.00375	1.1
60.08152	6.7
64.52065	1.3
71.07351	3.9
77.41010	1.4
82.24008	1.3
86.09699	40.3
98.98457	2.8
102.71391	1.5
104.10741	2.1
109.14350	1.5
124.99995	23.3
135.71883	1.4
184.07330	100.0
196.92369	1.6
274.59875	1.5
412.91818	1.7
463.70804	1.5
467.09753	1.6
536.37000	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	536.371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14247	1.4
57.93652	1.4
60.08147	8.1
60.26099	1.4
63.19267	1.9
66.39365	1.4
67.57568	1.7
71.07365	3.9
86.09693	42.3
98.98508	1.9
104.10759	6.8
121.13413	1.6
124.99985	20.0
125.00787	1.6
184.07327	100.0
207.13126	2.0
334.93597	1.9
405.77133	2.0
489.22534	2.3
536.37097	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	536.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	56.3
57.03420	8.1
57.07063	27.9
65.03941	4.5
65.60213	4.5
67.05493	80.2
69.03416	12.6
69.07055	91.3
71.04955	6.1
71.08616	20.8
72.76405	5.0
79.05482	24.5
79.05884	4.4
81.03391	14.8
81.07051	100.0
83.08613	69.1
85.02896	16.2
85.10168	8.2
91.05464	9.6
93.07036	33.0
95.08594	81.6
97.02889	16.8
97.06498	10.2
97.10169	46.4
107.08586	26.5
109.10155	49.3
111.08078	6.4
111.11703	15.5
113.09578	5.6
121.10163	54.2
123.11733	20.6
127.03897	9.1
135.11678	45.0
142.60114	5.3
149.13283	20.0
152.07021	6.8
165.16409	11.1
247.24281	28.8
265.25250	96.2
278.36752	5.5
283.26382	7.6
302.17404	7.0
339.28915	77.5
357.30127	24.0
391.28360	17.2
409.29544	12.9
427.30652	11.3
536.26550	15.0
546.24384	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	536.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	57.4
57.07061	31.7
61.02906	9.2
61.39132	7.1
67.05490	67.3
69.03432	12.0
69.07053	93.3
69.43938	7.3
70.97433	6.6
71.08609	16.2
79.05488	10.2
80.75377	7.7
81.07055	83.7
83.08607	52.1
85.10176	13.6
93.07034	43.0
95.08598	79.0
97.10182	51.5
104.10703	8.7
105.78819	9.6
107.08590	30.4
109.10152	44.2
111.11752	11.1
121.10153	59.9
134.45480	8.5
135.11754	42.9
149.13206	23.8
163.14766	9.6
247.24187	43.0
265.25226	100.0
339.28943	85.5
357.29874	17.4
431.06110	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	537.1237
Annotation	Laricitrin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03947	5.4
57.03434	2.0
57.30665	1.2
65.03900	1.3
67.05554	1.4
69.03422	17.5
70.06592	4.8
71.04958	1.7
73.02917	1.7
81.03407	25.1
81.03867	1.5
85.02895	13.3
85.03305	1.3
86.09732	4.7
93.48006	1.6
97.02892	9.6
99.04449	3.7
107.82176	1.4
109.02862	12.2
111.00831	2.0
119.08647	1.5
123.32698	1.6
125.78803	1.4
127.03923	7.9
136.06235	3.1
136.50839	1.5
137.06009	7.8
139.03905	2.9
153.01840	9.4
167.03445	3.0
186.03383	1.8
187.06046	11.1
202.15897	20.9
202.93851	1.8
219.02910	2.0
245.04483	4.3
264.17838	4.0
273.04181	3.1
301.03430	4.6
318.03519	8.6
333.06012	100.0
334.06497	2.2
396.48776	1.9
519.63062	1.8
537.27173	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	537.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22293	1.5
66.63539	1.4
67.71375	1.3
71.65499	1.4
75.28707	1.6
75.53437	1.3
91.05479	6.2
94.04144	2.6
95.04957	1.9
102.72917	1.5
103.05462	3.6
105.07021	7.0
105.95937	1.5
107.04970	2.9
115.05441	4.3
117.07019	2.7
119.08565	2.9
122.03652	6.3
128.06192	1.7
129.83257	1.6
131.04932	2.7
133.06528	3.5
137.05978	100.0
145.06483	2.7
147.08060	5.0
149.05988	2.1
150.30710	1.7
151.03912	12.6
151.07552	2.2
159.08159	2.1
160.05196	2.5
161.05963	9.0
163.07587	2.7
165.07030	3.9
175.07521	19.6
177.05415	2.5
187.07512	5.4
189.09111	2.0
191.08597	2.1
193.06500	1.7
193.08597	3.6
194.07266	5.4
199.07475	1.8
205.06546	2.1
221.06023	2.7
222.06696	3.9
223.67267	2.1
225.09099	2.3
231.08205	2.1
235.07585	2.3
237.09138	4.6
247.07581	2.7
248.70335	2.0
249.09242	3.0
253.08524	2.2
265.08643	11.0
276.07803	1.8
277.08636	3.1
285.11292	5.9
297.11246	21.8
309.11203	4.4
321.11295	2.8
341.13977	2.4
353.14069	2.6
459.17807	6.1
537.26282	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	537.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
58.06587	0.5
77.03943	0.4
89.42946	0.3
91.05470	3.8
91.71703	0.5
93.07030	6.8
95.04964	2.1
98.07118	0.3
103.05441	4.3
105.04482	0.4
118.06517	0.5
121.06495	97.4
122.06843	0.7
142.26637	0.4
143.00813	0.3
166.12257	100.0
167.12552	0.8
241.95108	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.3
53.95120	3.9
55.01854	8.7
55.05489	14.8
55.05754	3.9
57.03423	7.4
57.07070	7.2
59.04948	3.4
65.18156	5.0
67.05493	43.7
69.03407	21.7
69.07064	26.8
71.04979	36.5
79.05470	11.1
81.03411	20.8
81.07044	71.4
83.04965	14.0
83.08598	5.9
85.02896	100.0
87.00806	7.7
87.04457	8.8
91.05465	19.1
91.71694	7.9
93.07037	22.8
95.04957	17.4
95.08603	23.3
97.02895	9.2
99.04448	27.9
105.06392	3.8
105.07040	21.1
107.08607	9.7
109.02855	6.8
109.06473	6.0
110.95497	4.4
111.04458	10.9
115.03911	24.3
117.05491	14.7
117.96248	4.6
119.08562	28.4
121.10151	9.4
123.11676	29.8
127.03948	13.8
133.10109	10.8
137.05974	13.5
140.87631	5.1
141.12750	11.1
147.08022	5.4
147.11655	5.6
149.09598	6.2
155.14325	8.3
159.11624	5.8
161.13187	31.7
165.09064	7.4
175.14825	21.3
179.14357	5.8
185.13274	9.7
193.15865	13.9
203.14313	14.4
209.36203	5.2
221.15251	36.8
225.35349	4.8
235.16983	17.0
237.33093	5.4
239.16403	24.3
253.17917	25.6
271.18988	13.9
279.42542	5.6
444.39661	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	537.282
Annotation	Unknow
Peak:m/z	Relative Intensity
74.24474	2.5
86.01953	2.5
93.18230	2.4
93.52109	2.3
103.19742	3.3
214.75774	2.8
281.00192	3.0
361.45020	3.2
407.56088	3.0
424.47260	3.4
537.28076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14328	1.6
75.70858	1.5
79.84686	1.8
85.49094	1.9
86.09679	4.7
90.54475	1.9
91.71083	3.8
104.10771	3.9
105.66808	1.7
124.99969	2.7
135.58470	2.2
166.89046	2.0
176.07880	2.2
180.12050	2.0
184.07353	9.6
257.11435	2.3
273.14417	4.1
298.50388	2.3
507.26944	4.1
537.28149	100.0
538.28845	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	537.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06250	4.2
56.59566	3.9
75.18996	4.3
81.86682	4.9
83.38174	4.5
86.09698	19.0
135.96344	5.2
184.07346	30.2
185.07787	7.4
204.61363	5.5
227.95575	5.2
487.61972	5.7
537.28076	100.0
552.23926	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	537.3031
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
53.52830	1.3
60.01354	1.5
75.51147	1.6
91.47036	1.7
94.30409	1.6
121.21533	1.5
124.06046	1.4
157.13765	1.6
161.57683	1.4
175.81506	1.8
195.21533	1.7
225.98248	2.0
229.28085	1.5
294.01111	1.6
347.99838	1.9
537.30328	100.0
538.30542	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	538.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40775	6.9
57.62115	7.0
62.17342	7.2
62.82901	7.1
69.03416	24.4
71.02910	7.1
85.02897	45.0
85.37185	7.5
97.02888	16.5
102.76592	7.3
117.78327	8.2
119.04905	10.5
123.04486	13.8
127.03895	10.2
130.04103	10.6
131.04907	57.8
137.05977	50.5
147.04420	23.8
149.05975	13.9
150.06795	15.3
155.03574	8.2
161.05988	34.2
162.06729	89.5
163.07520	44.2
234.52306	8.9
299.09308	10.5
330.13199	20.5
359.11343	28.2
376.13974	100.0
428.22577	9.3
438.70828	9.5
478.99225	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	538.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13830	4.1
61.01140	5.1
62.46293	4.9
69.03427	8.4
70.06603	10.6
70.87193	4.2
81.07069	5.2
84.04500	9.8
85.02898	20.5
86.09705	13.0
93.07058	5.0
97.00747	5.5
97.02842	5.6
104.05329	23.3
110.55354	4.6
115.05486	5.3
115.33618	4.8
125.61502	4.4
126.10637	5.0
136.06200	8.2
137.05969	64.8
137.48964	6.3
143.04965	11.2
152.33739	5.5
160.05142	10.8
161.53021	5.1
175.07520	100.0
175.08884	6.8
187.07553	22.3
205.08612	13.0
218.34196	6.4
235.09615	28.3
260.10721	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	538.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02333	1.5
55.01868	1.5
55.26696	1.5
56.05012	1.6
59.94877	1.7
60.04522	3.8
61.80365	1.8
67.05487	2.3
69.03423	3.7
70.06587	3.1
71.04975	2.5
74.22709	1.4
74.54918	1.7
79.05465	1.9
81.07042	5.1
82.46980	1.4
84.66805	1.7
85.02897	5.5
86.09721	2.5
87.04460	3.3
87.31026	1.6
87.50284	1.6
91.05476	4.6
93.07035	5.9
95.08619	5.1
95.64135	1.9
100.27643	1.7
102.77597	1.6
103.05478	5.1
104.07100	2.8
105.07044	8.5
107.04910	1.8
107.08536	2.1
117.07031	2.2
119.08585	2.9
121.06499	2.5
121.10169	2.5
122.03718	3.6
122.73157	1.8
131.08553	2.2
133.06503	4.9
135.08063	1.8
137.05975	100.0
139.11212	1.7
145.06445	2.4
149.05971	3.3
159.08118	2.5
159.11771	2.0
161.06012	13.9
162.06767	2.3
170.17570	1.8
175.07538	24.6
187.07629	2.8
191.08560	5.0
193.08647	5.1
199.07533	5.0
205.08653	2.7
219.08099	9.1
219.13776	4.0
231.08203	2.1
234.86636	1.9
237.14825	3.6
247.07480	2.6
251.10695	9.6
259.07352	2.0
267.54480	2.4
273.17004	4.1
279.10162	9.4
286.90314	2.2
291.10001	4.7
311.12772	21.4
323.12558	8.5
329.13864	3.4
341.14001	4.2
393.13239	2.3
395.61505	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80830	0.8
51.85499	0.7
54.44607	0.7
55.01849	0.9
57.67180	0.7
59.89649	0.7
61.02932	1.2
64.14365	0.8
64.84190	0.8
67.05495	0.9
68.83965	0.7
69.03407	2.4
69.91226	0.9
71.04988	0.9
81.03403	3.3
81.07040	1.9
83.82254	0.7
84.37025	0.8
85.02893	10.2
87.04466	1.3
94.04162	1.7
94.68834	0.9
97.02881	2.8
103.05450	1.8
109.06513	1.9
111.04488	1.3
115.05439	6.4
117.07043	2.3
122.03615	4.2
125.05992	1.9
127.03905	1.1
128.06255	1.3
129.06990	6.7
131.04918	4.3
131.08565	1.1
137.05971	86.8
143.04918	7.9
144.05696	1.3
145.04951	2.0
145.06462	1.6
153.05519	2.6
157.06474	5.0
160.05209	13.5
161.05949	3.5
163.07532	3.3
172.05196	2.7
174.06776	2.4
175.07529	100.0
180.08640	1.7
184.07564	2.2
187.07524	31.9
189.09113	7.6
196.03517	0.9
203.08649	1.2
205.08574	14.9
205.10376	1.2
211.07623	1.7
217.08577	2.1
219.07925	1.3
231.08258	1.4
233.61143	0.9
235.09648	16.6
239.07275	1.4
248.08247	2.0
251.10696	1.2
259.07565	1.2
263.10748	1.5
270.08746	1.5
271.09659	2.5
279.10233	2.4
291.10095	3.8
311.12778	1.4
323.12503	4.8
341.13831	5.2
476.69305	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40259	5.0
53.03940	7.0
54.76004	4.8
55.01862	10.2
55.05497	11.1
57.03433	15.6
59.54498	4.2
60.45262	4.2
61.77541	4.3
67.05488	51.5
69.03426	32.3
69.07042	20.7
71.04985	40.3
73.02897	5.6
73.66037	4.9
77.05325	4.4
79.05489	30.0
80.68761	4.9
81.03406	24.1
81.07054	43.6
83.04964	11.3
83.08609	9.8
85.02896	100.0
85.03374	8.9
87.00813	4.7
87.04449	13.6
91.05476	26.0
93.07031	51.9
95.08601	76.5
97.02886	13.3
97.06529	10.8
99.04440	57.2
101.02350	6.4
103.03905	5.8
105.01871	11.7
105.07040	11.4
107.04958	5.8
107.08601	16.5
108.43194	5.4
109.02863	11.4
109.10155	27.7
111.04382	6.6
111.11759	5.6
113.09671	6.7
115.03923	14.0
116.07113	13.1
117.07021	11.2
119.08590	15.3
121.06522	7.6
121.10136	54.8
123.11652	7.5
127.03905	23.2
131.08606	13.9
133.10126	6.4
135.11696	15.5
137.06012	6.5
137.09589	11.1
139.11176	64.0
145.04985	9.2
147.11748	6.7
147.78366	5.6
149.09637	8.5
151.07596	7.4
153.12753	22.7
159.11673	33.1
163.80258	5.8
165.09155	6.6
167.07129	7.4
170.65462	6.9
173.13301	14.2
183.11685	7.6
185.08080	7.3
191.14423	16.4
201.12752	12.8
219.13786	46.4
237.14934	45.6
255.15887	35.7
395.49402	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	538.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12937	2.3
51.75173	1.8
52.21223	2.2
52.70402	1.8
53.03946	3.6
55.01866	4.1
55.05503	4.6
57.03423	7.1
57.07063	2.4
60.04520	17.1
61.24119	2.4
67.05494	20.8
69.03427	14.1
69.07066	12.0
70.06581	4.6
71.04986	39.0
73.17093	2.1
79.05484	14.9
81.03419	11.5
81.07058	25.4
83.04977	7.3
85.02901	31.5
85.06527	16.2
86.09721	3.3
87.00819	5.3
87.04455	7.5
91.05439	13.4
93.07044	32.2
95.04966	4.5
95.08601	29.2
97.02878	8.4
97.06530	8.2
99.04465	16.2
99.08096	9.3
105.01888	3.9
105.07034	7.7
107.08586	9.7
109.02881	7.5
109.06462	2.2
109.10150	10.7
111.08057	5.9
114.17262	2.3
115.03937	3.8
117.01827	2.3
117.07001	5.6
119.08585	7.9
121.06522	5.1
121.10155	24.4
123.08065	2.6
123.11717	3.9
127.03925	10.2
131.08578	11.6
133.10049	3.4
134.67958	2.4
135.08089	5.2
135.11705	6.4
137.05992	4.2
137.09618	4.8
139.11160	19.4
145.05003	5.9
145.10126	3.4
155.66942	2.6
157.10226	3.8
157.12216	12.5
159.11650	18.5
171.13914	5.2
173.13286	7.6
183.11711	5.0
191.14297	4.2
201.12749	10.2
219.13805	12.8
237.14897	16.0
255.15892	19.5
273.16968	100.0
274.17599	2.8
290.19537	3.5
434.68381	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	539.0971
Annotation	Amentoflavone
Peak:m/z	Relative Intensity
51.95155	1.0
53.45742	1.2
55.12687	1.1
64.06038	1.1
67.01852	2.5
68.99777	1.8
70.53413	1.2
89.64544	1.3
91.05460	1.3
100.09004	1.3
121.02869	11.9
145.02835	6.2
146.73502	1.3
153.01826	12.5
255.06592	3.0
283.05920	9.0
307.06000	7.3
311.05573	2.2
319.05978	3.1
321.07593	3.3
335.05368	10.7
347.05499	7.4
355.88846	1.6
359.05582	2.8
377.06558	15.2
387.08582	4.4
396.37570	1.7
403.04474	14.2
421.05508	4.2
497.08594	3.0
509.92590	2.0
539.09711	100.0
540.09821	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	539.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.7
55.05503	5.0
57.07064	5.2
61.35059	2.3
67.05485	2.7
67.71336	2.5
69.03411	2.5
69.07037	5.9
79.05441	3.7
81.07037	4.3
85.06557	7.0
91.05485	14.5
93.07018	3.5
95.04942	7.6
95.08604	5.0
103.05458	5.7
105.07026	6.4
105.90576	3.5
107.04942	15.9
115.05444	7.0
117.07014	23.1
119.04930	3.4
119.08577	5.1
119.80945	3.7
121.06518	7.3
129.07025	5.0
131.08536	5.7
133.06476	27.4
133.10066	3.8
135.04419	3.6
136.78342	4.0
137.05986	13.5
143.08493	3.6
145.06483	22.6
147.04417	6.2
147.08055	10.2
159.08092	9.8
161.05945	5.2
163.07515	15.7
173.06036	10.5
177.05504	3.0
177.09108	3.4
181.10088	5.1
191.07039	16.2
203.10643	4.7
203.14282	16.3
211.11308	4.1
217.12274	6.4
219.13829	3.5
226.66266	3.4
229.12267	8.9
235.13391	6.7
247.13284	100.0
259.53723	3.2
265.14337	15.0
283.15485	11.2
384.78125	3.3
521.19843	3.9
539.27954	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	539.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89165	0.7
66.04711	1.2
68.85610	1.0
75.05170	0.9
79.05482	1.0
79.96579	1.0
91.05445	1.2
94.04173	3.7
95.04929	1.0
103.05446	1.5
111.94443	0.9
120.30283	0.9
122.03624	6.1
124.84638	1.1
127.16426	1.1
137.05963	100.0
138.06323	1.4
148.16451	0.9
150.40872	0.9
151.07526	4.1
187.07570	1.4
213.09126	1.7
219.10201	1.2
259.09811	3.4
261.11255	3.1
283.09546	1.1
291.10132	1.3
292.86679	1.2
317.11819	1.1
335.12402	1.6
349.14297	1.4
353.13834	1.4
367.15500	6.3
369.17621	1.3
379.15225	3.1
397.16562	1.3
453.14819	1.4
521.21570	1.3
527.84503	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63173	0.7
73.34801	0.7
75.34888	0.8
75.63750	0.8
81.07024	0.8
91.05455	2.2
91.36570	0.7
94.04188	2.7
95.04954	1.3
109.06491	1.5
119.04915	1.1
121.06470	0.8
122.03629	8.6
122.68295	0.8
131.04921	1.1
137.05965	100.0
138.06247	1.4
151.07550	2.6
163.07521	1.7
181.06468	1.1
188.98665	1.0
199.07545	0.9
213.09106	2.3
214.67442	0.8
229.79639	1.0
231.08008	1.4
259.09641	2.3
261.11145	1.0
291.10278	1.2
309.10870	1.1
317.11777	2.4
321.11362	1.2
327.81866	0.8
329.11667	1.6
349.14420	1.3
355.15509	1.2
367.15375	8.2
379.15369	1.6
397.16693	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	539.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50490	3.4
55.01859	5.6
55.05494	11.6
55.17192	3.6
57.03424	11.1
60.04512	5.4
61.16950	3.9
64.86348	4.2
67.05499	42.8
69.03423	14.9
69.07054	18.7
70.06582	7.0
71.04988	29.4
79.05493	28.0
81.03398	14.5
81.07053	53.0
83.04977	10.9
83.08579	5.6
85.02893	75.8
86.09683	4.2
87.00886	4.2
87.04460	13.1
91.05471	12.3
93.07036	57.8
95.04955	8.5
95.08597	100.0
97.02879	7.6
97.06544	10.6
99.04462	41.9
99.08093	10.6
101.02361	7.4
103.03953	8.1
105.07026	11.2
107.04961	5.5
107.08585	17.4
109.10136	23.5
110.80150	5.1
111.04433	4.7
115.03919	7.8
117.07001	8.4
119.08598	13.9
120.30696	4.7
121.06481	7.6
121.10139	64.7
123.11729	7.0
125.06017	4.3
127.03924	12.5
131.08594	12.6
133.10097	7.7
135.08104	5.1
135.11693	21.0
137.09621	7.6
139.07552	6.4
139.11166	60.3
143.53195	4.9
145.10095	7.2
149.09601	5.2
153.12747	20.2
155.08287	5.1
157.10197	5.3
157.12209	4.4
159.11685	33.2
173.13171	6.9
183.11684	13.1
191.14349	10.3
201.12769	15.2
219.13788	37.2
237.14859	42.1
255.15939	42.8
264.84912	6.6
273.16922	25.5
388.38849	5.4
432.31158	5.8
539.18573	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25227	1.8
51.34826	2.0
54.08149	2.1
54.25948	1.7
62.88610	1.9
65.61781	1.9
66.70879	2.0
70.93433	2.0
78.42850	1.9
81.07060	2.2
105.90262	2.2
117.06866	1.9
125.74081	2.2
203.05272	2.5
232.99005	2.3
346.03452	2.7
422.43042	3.0
539.24597	100.0
540.24811	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	539.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05212	1.0
52.13665	1.0
57.07077	0.9
91.03998	1.2
91.71035	1.4
173.37317	1.2
177.00345	1.4
203.05334	1.9
262.53354	1.3
274.19788	1.4
539.31866	100.0
540.32281	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	539.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86301	2.6
63.19488	3.0
76.05203	2.8
78.06091	2.8
91.70991	5.8
96.36648	2.4
129.99875	2.7
291.64609	3.8
350.00580	3.5
355.25885	3.5
427.33673	3.8
539.31842	100.0
553.23651	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	539.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87475	0.7
57.03441	1.2
57.07073	0.9
64.84416	0.7
65.06755	0.9
67.05505	2.3
69.07051	1.1
70.72678	0.8
81.07082	2.8
83.08621	1.1
86.09718	1.3
86.83142	0.8
89.03916	8.2
93.46521	0.9
94.06406	0.9
95.08595	1.9
114.45187	1.0
117.03368	20.1
117.05489	6.1
117.67998	0.9
134.03693	2.6
135.04427	1.6
145.02840	35.3
146.98183	1.7
149.05994	7.6
158.06024	6.5
177.05455	100.0
178.05841	1.4
186.05486	24.3
251.09145	2.6
293.10406	3.9
327.25198	7.2
521.30585	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	539.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.5
63.02372	0.6
66.78481	0.6
67.05493	0.7
69.07068	0.9
75.72539	0.5
78.04723	0.7
78.64304	0.6
81.07032	1.9
83.08594	0.7
89.03909	8.9
91.05444	1.0
95.08578	1.5
98.28244	0.6
105.26456	0.6
106.04149	0.9
109.10135	1.5
117.03377	20.3
117.05492	7.8
119.35018	0.6
130.06519	0.8
134.03641	2.0
135.04405	2.1
145.02843	36.0
149.05968	8.0
158.05988	7.8
162.05467	0.8
177.05461	100.0
181.62772	0.6
186.05492	30.0
187.05806	1.0
239.65092	0.7
251.09013	3.2
264.44312	0.8
293.10123	3.6
327.25278	5.9
355.47101	0.7
364.78497	0.7
521.30939	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	540.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56293	1.1
59.09469	1.2
69.03435	1.4
83.43375	1.2
84.37182	1.2
85.02883	5.3
91.05476	3.0
97.02863	1.8
105.07046	2.0
115.05453	1.4
117.40328	1.3
119.04932	2.0
120.97499	1.5
121.27570	1.2
127.03864	1.6
128.06206	2.0
129.06989	8.2
131.04929	3.0
131.08571	5.6
137.05978	17.5
141.07024	4.8
151.07555	16.5
157.06535	4.3
158.07310	4.1
159.08084	5.3
161.09660	1.7
163.07544	3.5
169.06453	2.9
170.07106	1.8
174.06717	13.2
175.07521	3.6
186.06798	3.8
189.09077	27.3
195.07996	3.9
201.09137	5.9
219.10147	100.0
227.10683	5.5
255.10167	4.1
285.11075	2.4
287.12747	6.1
313.14197	8.0
331.15417	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	540.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81723	0.7
52.05887	0.5
57.03408	0.7
57.09676	0.6
69.03413	1.6
81.03426	1.0
84.33880	0.6
85.02892	5.8
91.05453	2.1
91.71082	0.8
97.02866	2.1
99.04504	0.6
104.97510	0.6
115.05453	0.9
117.12405	0.6
122.16125	0.6
127.03937	1.5
128.06314	0.9
129.06996	6.0
131.04948	1.2
131.08563	7.7
137.05943	1.3
141.06970	4.8
145.05064	1.1
145.06435	1.3
152.16512	0.7
157.06473	4.3
158.07233	1.9
159.08061	5.9
162.07629	1.5
169.06393	2.1
170.07162	0.8
174.06758	10.8
175.07536	2.8
180.08632	1.3
186.06723	2.3
189.09094	23.9
189.10812	1.2
191.10628	2.4
201.09059	8.2
207.10153	0.9
219.10143	100.0
220.10486	0.8
237.11006	0.7
379.77295	0.8
381.09348	0.8
396.93369	0.7
472.94415	0.7
535.18549	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33786	2.2
68.94535	2.8
69.03421	5.0
70.06583	4.4
70.15150	2.4
74.78798	2.5
80.32720	2.8
85.02888	10.9
91.05467	9.0
97.02905	4.3
109.06505	3.7
119.04920	5.0
121.06484	3.7
122.03637	4.1
129.06996	6.8
131.46587	3.0
135.08008	6.8
137.05975	45.3
149.05991	6.3
151.07545	52.9
157.06479	5.6
161.05975	7.5
163.07571	11.4
165.09062	3.5
167.08548	4.9
175.07559	6.5
189.09097	20.4
195.08070	12.6
210.06859	4.2
221.06046	4.7
221.09818	3.4
223.07516	4.3
225.09009	3.5
227.10680	19.4
240.00684	3.1
249.09061	6.6
253.08800	5.0
253.12279	7.6
255.10048	15.8
257.63190	3.6
285.11215	12.1
287.12799	26.4
303.01086	3.4
313.14343	22.6
331.11441	5.6
331.15375	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76167	1.3
69.03426	2.8
69.48683	1.6
70.06590	3.0
74.88096	1.9
85.02912	5.0
97.02920	2.6
106.66235	1.7
115.05478	2.0
116.90795	2.0
117.44898	1.8
128.06288	2.0
129.06960	9.5
131.08623	7.2
133.17421	1.9
135.04495	1.9
137.05972	4.0
141.07036	5.5
157.06572	5.4
158.07324	2.9
159.08113	5.5
169.06523	2.1
174.06740	16.4
175.07610	3.6
186.06709	2.3
189.09085	22.5
201.09029	8.6
219.10143	100.0
220.10904	2.1
298.15872	2.0
340.43695	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	540.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74606	3.3
56.82514	3.9
57.07038	4.0
65.91892	3.9
69.07014	3.6
73.02909	4.4
77.86682	3.3
81.04800	3.4
89.03904	16.0
89.06030	5.3
94.15154	3.7
114.21185	3.9
117.03369	17.2
145.02850	33.0
149.06023	15.0
149.14478	4.2
158.05959	5.6
160.02415	3.8
173.98563	4.3
177.05464	100.0
186.05460	38.7
250.86105	4.4
251.54707	4.6
274.19000	4.6
311.25870	28.2
311.28955	5.7
328.65164	4.8
449.71643	5.5
488.68433	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	540.353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84656	1.5
57.07052	4.7
58.38123	1.7
61.50390	1.7
70.06577	4.7
71.08591	2.4
75.64985	1.7
88.07611	2.9
89.03911	7.1
89.06027	4.7
92.74637	2.2
95.08577	2.6
117.03388	17.3
126.73492	1.8
145.02859	31.7
149.05969	10.5
158.06001	8.6
177.05460	100.0
186.05504	29.1
199.19974	2.0
243.04625	2.3
256.26398	6.4
258.37817	2.2
284.29517	3.0
287.77988	2.3
293.10202	3.3
307.08002	2.3
311.26059	2.3
311.29578	5.6
327.19852	2.4
540.53192	14.1
543.80316	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	540.5347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07128	1.6
51.36209	1.6
54.38733	2.0
55.05494	3.5
57.07064	32.3
58.06591	3.3
58.42885	2.1
63.47873	2.0
67.05499	4.6
69.07053	5.1
70.06295	2.1
70.06587	25.3
71.08629	13.8
73.02901	4.4
81.07064	5.5
83.08624	3.5
85.10165	6.1
88.07627	31.2
89.06008	10.1
95.08601	4.7
97.10166	3.1
102.09174	23.0
106.59745	2.1
112.25098	2.4
113.73540	2.2
130.08678	4.7
133.08603	7.1
177.11261	2.6
239.02837	2.5
241.24626	2.5
256.26346	50.5
283.26114	17.1
284.29453	15.0
311.29407	42.3
317.31931	2.7
327.02945	2.7
327.20175	6.3
540.53455	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06839	2.3
57.07067	30.9
58.06590	3.3
67.05494	6.0
67.86462	1.8
68.55982	1.7
69.07059	5.9
70.06588	25.2
70.82027	1.8
71.08630	15.3
81.07066	4.9
83.08601	5.2
85.10161	5.4
88.07625	34.1
89.06009	7.6
91.70926	2.1
95.08603	5.3
97.10095	2.5
102.09174	18.3
133.08629	5.3
140.97180	2.4
164.17973	1.9
171.14215	2.1
211.45630	2.1
256.26334	40.3
274.27200	3.1
283.26389	11.1
284.29483	9.5
311.29391	43.2
327.20123	2.8
375.25192	2.7
439.69754	2.6
540.53467	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60375	12.1
57.07059	66.5
66.14342	12.8
67.05462	17.6
70.06579	30.1
71.08607	22.7
85.11868	14.8
88.07619	39.4
89.06011	74.4
102.09164	20.3
118.23913	15.2
126.77285	16.5
130.08633	20.5
133.08603	75.0
220.27847	18.4
245.56268	19.9
256.26352	71.9
257.35706	17.4
264.35352	18.2
283.26218	30.8
284.29678	29.4
308.85672	20.1
311.29437	57.5
327.20178	35.0
540.53247	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	27.1
57.69810	2.0
58.06581	2.4
59.92863	1.6
67.05483	3.7
69.07058	4.4
70.06579	25.1
71.08630	13.2
81.07038	4.8
83.08614	3.2
85.10174	5.6
88.07623	31.6
89.06027	18.1
95.08606	5.8
102.09162	21.3
102.46423	2.1
109.10123	1.9
117.63660	1.9
122.32891	2.1
130.08669	4.7
133.08594	12.1
146.41544	2.1
155.56860	2.3
165.82700	2.2
177.11263	2.2
185.24849	2.2
221.93556	2.3
256.23709	2.0
256.26276	45.2
274.27371	4.2
283.26306	13.2
284.29492	12.2
311.29395	41.0
314.76559	2.6
327.20041	10.3
540.53467	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.113
Annotation	2,3-Dihydro-3',3'''-biapigenin
Peak:m/z	Relative Intensity
58.26997	1.7
63.18001	1.8
63.25272	1.8
65.04379	1.8
67.01859	23.7
68.99767	7.2
72.82114	2.0
76.13312	2.0
79.05493	2.1
81.03416	2.8
93.07080	2.0
94.56509	2.0
111.00799	2.2
117.75873	2.0
121.02872	19.1
127.32586	2.2
129.06987	2.3
133.06525	4.8
138.95294	2.3
145.02808	2.2
152.83485	2.3
153.00578	3.3
153.01820	48.6
157.06409	4.5
163.03906	2.6
171.02863	53.5
177.05371	2.6
179.03523	2.4
185.06145	2.8
197.05968	3.9
224.02467	2.2
242.05754	4.0
253.04999	5.0
258.30737	2.9
270.05237	6.0
271.05847	2.9
293.00482	2.4
313.14929	2.4
317.54266	2.5
341.26822	2.5
389.10162	77.9
415.08090	11.0
442.59607	2.6
445.78134	2.7
541.11261	100.0
542.11584	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	541.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44493	9.1
58.16882	10.3
75.15292	10.6
81.07020	14.3
130.81923	12.3
138.73151	11.5
345.36432	14.6
541.24286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30089	1.3
63.87742	1.4
70.06573	1.9
72.08147	2.1
74.52725	1.6
77.37512	1.6
81.07075	1.9
91.05458	6.4
94.04159	2.8
95.04958	3.8
96.50678	1.4
103.05450	3.4
105.07050	2.8
119.04972	4.3
122.03644	7.6
124.65651	1.6
131.04915	5.5
133.06482	3.8
135.04424	2.4
135.08083	1.8
137.05969	100.0
143.01717	2.3
147.04396	3.6
149.05989	2.4
151.07526	11.5
155.12054	1.7
161.05965	8.0
163.07527	11.8
175.07542	15.9
189.09126	4.2
195.08032	2.6
203.10818	2.0
227.10742	3.6
255.10153	2.0
285.11099	2.4
287.12848	8.2
351.15790	5.5
363.16013	2.4
526.55377	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	541.262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38189	2.7
56.96561	8.1
58.15510	3.3
72.08259	3.5
76.81310	3.4
101.60965	3.2
105.07057	3.5
120.08099	4.3
128.12022	4.1
192.91226	3.4
352.82623	4.0
406.25967	4.1
437.66379	4.2
541.26129	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76923	1.9
70.39105	2.3
72.87395	2.2
74.81243	2.2
84.21542	2.3
85.45571	2.1
87.04487	2.4
93.07072	2.4
93.11970	2.4
100.35866	2.5
104.07131	6.3
123.54626	3.1
132.98494	2.5
137.63792	2.7
166.75237	2.7
268.29593	2.8
277.87744	2.6
280.96738	2.8
331.09821	3.8
379.20929	4.1
541.26123	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91163	1.3
55.05495	1.6
58.49335	1.4
67.05491	5.3
69.03423	1.7
69.07039	4.6
71.04952	1.7
79.05472	1.4
81.07028	6.4
83.04990	2.5
85.02883	5.0
87.00780	2.5
87.04465	2.0
88.01136	1.4
91.42123	1.6
92.67554	1.8
95.04985	14.4
95.05514	2.5
95.08634	4.2
99.04430	2.1
105.06980	2.3
109.02850	2.1
109.44999	1.6
110.39891	2.2
111.04436	2.0
115.03901	2.4
137.05963	2.0
139.03902	5.1
175.56717	1.7
193.75160	1.8
194.32092	1.9
194.92233	1.7
225.03891	2.6
239.16464	4.9
240.16736	3.2
243.04985	1.8
281.13641	2.4
335.54709	2.1
443.18851	40.9
504.15869	1.9
523.92169	2.1
541.26135	100.0
545.20001	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	541.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61432	1.3
62.46680	1.9
70.91610	1.4
78.17106	1.6
80.79920	1.5
104.51712	1.8
110.51574	1.7
125.39774	1.8
162.00638	1.8
192.47569	1.8
285.36868	1.8
293.98041	2.2
434.40860	2.0
541.33374	100.0
542.33600	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	541.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56088	7.8
57.07067	11.5
59.36312	8.4
64.66592	8.5
68.19099	8.4
73.26414	10.0
76.11893	9.5
124.76598	11.4
131.83046	10.5
153.35060	8.8
198.59785	11.8
250.36700	10.3
541.33301	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37709	1.2
57.65355	1.3
61.56630	1.2
87.60780	1.5
88.20489	1.6
91.05464	3.2
93.07031	4.8
103.05454	3.8
110.69376	1.5
121.06497	100.0
129.91756	2.0
151.06883	1.6
166.12265	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.7
61.19087	1.9
61.61683	1.7
62.45411	1.9
69.03429	3.6
85.02896	18.8
97.02866	3.5
97.34927	1.9
109.50872	2.3
121.06564	2.6
122.03615	2.6
123.43234	2.1
137.05977	59.8
145.04922	3.1
149.05980	3.9
163.03877	12.1
181.04987	5.8
191.03397	49.0
196.05261	3.5
204.06677	3.4
211.07611	6.0
264.68106	2.0
299.08984	21.1
317.10196	4.8
327.08575	33.6
345.09656	100.0
345.13904	5.0
349.28192	2.5
363.10855	2.7
531.86719	2.2
556.47064	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	542.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51140	0.7
52.87881	0.6
64.94643	0.5
69.03396	1.3
70.06574	0.5
71.04955	0.6
79.05441	0.7
82.18948	0.5
85.02901	5.0
88.47041	0.5
91.05477	2.2
94.04152	1.5
95.05030	0.8
97.02868	1.3
103.05454	5.6
105.07034	3.1
107.04926	1.5
109.02827	0.7
109.06506	1.1
117.07056	0.7
118.19770	0.5
121.06483	2.4
122.03646	3.8
123.08080	0.7
131.04915	9.0
133.06487	16.2
135.08052	4.6
137.05972	100.0
143.08540	1.6
145.06544	2.8
147.08015	1.3
149.05954	0.9
151.07532	5.5
155.05954	0.5
157.06509	1.2
163.07529	26.6
171.08029	1.8
174.06720	0.9
175.07518	2.2
177.09140	0.8
189.09087	2.6
203.10725	4.2
235.11276	0.6
261.13843	0.6
262.77936	0.7
295.13245	12.5
309.88217	0.6
315.43604	0.7
327.15884	17.5
345.16959	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	6.8
57.03426	6.3
57.48269	3.5
67.05522	3.6
69.03429	27.0
69.07054	20.6
71.01334	4.2
71.04986	36.7
71.05273	3.5
72.50111	3.4
81.03432	15.1
81.07068	4.7
83.04999	14.6
85.02895	100.0
87.00844	11.9
90.01941	3.9
95.04972	4.7
97.02917	13.5
103.03963	4.2
105.01848	23.8
109.02874	21.9
111.04484	12.6
114.82470	4.0
120.08198	4.6
127.03933	26.6
129.05499	14.0
139.03947	4.3
145.05009	11.8
147.06461	5.0
164.09309	5.0
189.04030	7.9
212.20003	4.7
231.05057	7.8
237.07668	6.1
265.67593	4.3
403.97690	4.8
442.75430	4.4
479.69177	4.6
542.26654	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	542.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20885	2.3
53.03946	2.8
55.05510	22.6
55.70873	2.7
56.19001	2.2
57.03423	13.3
57.07064	8.5
58.93469	2.4
60.02734	2.4
67.05499	43.3
69.07060	27.1
70.63940	2.2
71.07361	13.1
79.05494	6.4
81.07050	44.5
83.08601	15.0
85.06532	4.1
86.09701	87.0
91.05460	9.1
93.07038	12.6
95.08600	30.8
97.10143	4.3
105.07053	4.7
107.08634	6.1
109.10150	12.4
117.44216	2.9
119.08591	3.9
121.10149	5.7
123.11721	6.9
133.10152	4.8
146.98174	100.0
175.93080	3.2
176.50008	2.8
188.00842	17.5
223.90736	3.0
289.20245	2.9
337.27539	20.4
337.31198	3.6
359.25372	7.4
442.31284	3.4
448.26834	3.5
483.24728	80.7
542.32080	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	542.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90527	3.8
57.07064	44.0
57.83328	3.5
67.76080	4.2
71.08620	33.4
71.67238	4.4
73.06546	8.1
81.07031	4.8
85.10164	25.1
86.56229	3.9
87.04443	8.2
89.06020	100.0
91.71017	7.9
92.49998	4.1
97.10139	5.5
107.36043	4.0
109.77742	4.9
112.62032	4.3
117.09173	7.2
127.02117	4.1
130.08644	26.8
131.75397	4.2
133.08609	60.2
149.90224	4.1
177.11224	15.8
189.16458	4.9
221.13808	7.3
240.23264	8.5
243.23181	9.1
371.22675	7.6
474.95145	4.5
525.39783	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34972	3.7
52.05001	3.7
54.31714	4.2
59.48547	4.4
64.50136	4.2
70.06583	8.4
76.49014	4.6
84.08127	7.2
85.02946	4.2
86.09698	15.3
105.78036	4.4
116.07076	8.1
139.47084	4.7
231.66313	4.8
381.07980	13.6
532.16809	6.4
543.13220	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
61.73359	4.0
90.73759	3.8
133.93242	4.3
249.49803	4.8
381.08264	21.1
431.09695	5.7
453.90985	5.3
543.13129	100.0
563.52057	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	543.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73677	1.4
53.45647	1.4
58.75179	2.1
60.76735	1.6
62.10512	1.4
68.28596	1.7
78.03902	1.6
95.36779	1.8
106.36777	1.9
111.09534	1.9
118.62456	2.1
129.85953	1.9
133.12329	2.3
137.05971	2.2
142.50716	1.8
146.15837	1.8
177.62192	1.9
191.30510	2.2
543.18353	100.0
544.19427	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	543.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06590	6.3
72.08154	1.7
73.71799	0.9
74.02428	4.6
74.94218	0.7
85.02874	0.8
86.09701	1.3
88.03975	1.1
90.44654	0.9
128.81104	1.1
130.06505	1.8
131.96832	0.9
132.08098	1.1
144.08078	100.0
171.09218	2.4
173.38965	0.9
217.09709	41.2
218.09804	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06580	5.1
83.08203	2.9
96.58154	3.3
189.06769	3.7
197.98906	3.4
238.40297	3.5
295.15201	10.6
457.20322	4.4
499.21375	34.2
543.20404	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99771	4.1
54.08326	4.1
57.07056	21.7
67.05471	11.7
71.04979	12.6
71.83921	5.3
79.05468	11.4
80.90048	6.4
81.03413	15.3
81.07056	9.6
83.04969	6.0
83.31893	5.0
85.06522	11.7
91.05473	23.1
93.07027	8.9
95.04955	11.8
95.08612	9.8
98.68408	6.2
100.38800	5.4
105.03406	5.5
105.07041	10.8
108.70044	5.7
109.02888	6.5
109.06533	14.6
117.07000	26.6
119.04978	10.2
121.06480	9.0
123.08025	6.4
131.05020	6.7
137.06024	8.3
145.06482	16.7
151.07542	86.7
163.07520	11.9
173.05988	50.2
175.11229	22.9
187.11227	11.6
203.10718	21.2
205.12427	7.4
219.13795	6.1
227.40103	6.3
233.11798	16.3
241.07756	7.6
243.10143	14.7
247.13202	12.0
261.11237	44.8
265.14230	8.0
279.12256	100.0
506.16309	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	543.368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	20.8
67.05487	49.9
68.56624	9.9
69.07050	19.3
79.05493	53.6
81.07059	59.1
83.08607	11.3
91.05466	32.2
93.07036	92.9
95.04955	17.8
95.08593	82.8
95.34016	9.2
105.07022	24.9
107.08587	52.2
109.10109	16.6
117.07001	12.7
119.08619	25.1
121.10123	33.7
135.11670	62.6
145.10127	18.8
155.15714	10.9
163.11200	59.9
173.50249	10.6
227.12793	100.0
259.36621	12.4
276.03067	15.9
299.17035	12.7
543.36536	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32755	4.9
55.05496	19.4
56.53543	5.5
67.05490	60.4
69.07060	13.8
79.05489	44.0
81.07050	46.4
83.04954	6.6
83.08596	11.9
84.63140	5.5
91.05469	26.2
93.07040	81.4
95.04969	14.4
95.08601	66.7
97.02882	10.9
104.72079	5.4
105.07028	16.6
107.04991	7.0
107.08578	47.2
109.10139	6.3
117.06988	11.8
119.08630	15.3
121.06573	6.3
121.10158	29.7
135.11681	52.8
145.10115	29.3
163.11154	61.4
181.12172	7.1
227.12730	100.0
310.85397	7.1
458.39413	8.1
543.36670	43.2
550.67963	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	544.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41784	3.2
64.53185	3.0
69.03398	3.2
70.06609	14.9
72.08163	10.9
84.04503	5.9
85.02895	6.5
86.09721	7.9
91.05505	11.3
95.04987	6.4
102.74329	3.7
104.49827	3.3
104.52356	3.3
105.07072	12.1
119.04982	15.7
121.06461	19.0
127.03961	3.8
130.04211	4.2
133.06560	11.5
135.04454	5.6
137.05975	100.0
137.06927	5.8
145.37714	4.1
147.04404	18.8
147.50626	3.9
149.06041	17.3
150.06854	11.8
151.03949	7.2
161.05952	28.0
162.06752	35.1
162.07874	3.8
162.51286	4.1
163.03888	4.3
179.07079	7.8
181.06480	5.3
181.42249	3.8
193.04968	18.0
288.20215	4.3
297.07504	20.3
299.09067	21.7
303.08682	4.3
317.10226	13.9
329.10291	21.2
472.23239	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	544.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30196	0.9
53.99366	1.0
55.01866	1.1
69.03420	2.9
70.06580	6.2
70.35317	1.1
72.08121	1.2
77.03887	1.2
84.04498	1.3
85.02885	4.3
86.09703	2.9
91.05466	3.6
91.71037	2.8
93.07032	1.5
93.39240	1.2
100.03873	1.2
103.05462	24.7
107.04981	1.6
119.04938	1.6
121.06480	1.8
123.04461	2.4
131.04921	100.0
132.05243	1.7
135.71271	1.4
137.05966	21.4
147.04404	27.2
147.08076	5.9
149.05954	3.7
151.07524	3.7
161.05956	2.0
162.06758	3.5
163.07527	75.7
164.07820	1.2
175.07544	15.8
179.07108	2.4
193.08585	24.9
193.10236	1.7
273.11130	2.1
299.12823	4.0
317.13837	12.8
329.13907	1.9
360.98080	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	544.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08819	0.7
51.40707	0.5
63.77245	0.6
67.05489	1.1
70.07113	0.7
81.07067	0.7
109.30914	0.7
110.03548	1.2
127.17413	0.8
128.04555	1.6
135.03017	1.5
152.05672	100.0
153.04079	9.3
165.48660	0.8
166.01302	0.8
187.25443	0.8
233.26697	0.8
235.17590	1.0
248.62451	1.0
267.56342	0.9
405.22977	0.9
464.19101	0.9
554.26001	0.9
554.50897	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25474	3.2
55.55369	2.8
55.91059	2.7
57.07057	3.8
58.60251	2.8
60.08146	11.3
66.26848	2.7
67.05478	3.1
71.07357	6.7
71.09806	3.7
81.69772	2.8
84.82829	3.2
86.09695	50.6
86.99128	3.2
88.84326	3.1
88.98116	3.3
95.08578	3.7
98.98428	5.6
104.10737	49.9
114.68456	3.4
117.66851	3.8
118.44667	3.1
124.99966	27.6
182.03641	4.2
184.07324	100.0
232.88025	4.7
320.39478	4.3
332.81250	4.2
363.14856	3.7
544.34241	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	544.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37566	2.5
57.07080	2.7
60.08149	12.6
71.07365	4.2
86.09693	43.8
98.98457	3.7
104.10742	8.3
124.99987	30.5
125.84476	3.8
178.14900	3.5
184.07326	100.0
508.63159	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	544.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94771	0.5
54.02618	0.5
56.05012	1.0
58.06630	0.5
58.54618	0.5
60.07865	0.5
60.08153	9.5
71.07365	4.3
84.92024	0.5
86.09695	42.0
91.57870	0.5
94.45818	0.5
95.99609	0.5
98.98461	2.8
104.10744	3.7
124.99994	22.0
142.74796	0.6
166.02649	0.8
184.07326	100.0
185.45267	0.5
249.54144	0.7
354.20526	0.6
492.92270	0.6
544.33832	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76975	2.5
56.96556	5.7
57.07074	3.7
60.59465	2.5
72.05277	2.6
83.18288	3.1
84.96017	3.7
90.30618	2.6
91.05482	13.3
93.07041	77.4
95.04967	7.2
98.97570	35.0
115.17186	2.6
116.98631	16.4
133.29196	3.0
134.99602	6.7
140.00195	26.0
143.00221	5.9
152.00206	4.0
158.01257	5.8
158.99669	7.5
161.01237	5.6
166.01741	4.2
170.99652	5.1
177.00720	7.0
181.02899	4.6
184.02873	6.6
189.00819	5.9
200.02408	9.7
201.00810	5.6
208.31519	3.2
212.02357	8.6
219.01648	5.2
237.03032	3.6
237.49149	3.5
238.00783	3.0
242.03447	14.0
249.02655	4.7
272.04419	15.6
291.03955	10.8
353.12625	5.7
371.13724	4.4
387.04086	3.2
390.46454	3.4
394.15405	12.1
485.16916	100.0
526.19513	8.6
545.18219	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	545.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	13.0
57.07063	3.8
69.80711	3.3
74.82331	3.8
79.05479	15.4
80.01212	3.7
84.96014	4.1
91.05495	8.1
93.07043	19.6
96.00407	3.8
98.97574	50.0
105.07039	7.1
107.08593	74.9
107.09274	7.0
110.97591	5.1
112.99220	4.0
116.98605	20.4
128.98622	6.0
134.99643	6.6
135.11710	24.5
140.00168	33.7
143.00078	4.9
152.00230	5.2
154.22960	4.2
158.01263	8.8
158.99670	16.7
161.01201	6.7
166.01785	6.6
170.99715	6.0
177.00693	9.9
181.02890	5.0
184.02861	8.6
184.63029	4.7
189.00681	5.9
200.02312	19.3
201.00688	7.6
207.04353	5.0
212.02364	13.4
219.01823	8.3
224.02336	5.3
237.02838	7.5
242.03412	15.6
249.02835	8.4
260.04407	7.2
272.04425	15.0
283.06161	5.8
291.03879	14.1
344.80469	5.0
371.13803	13.1
394.15369	32.6
406.15646	8.6
422.44403	5.6
430.20517	5.2
485.16937	100.0
503.17810	8.8
526.19275	36.4
545.18616	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	545.2748
Annotation	[1R-[1R*,2S*(Z),4S*,6R*,8R*(Z),9S*,10S*(Z),11R*]]-1,6-Dimethyl-9-(1-methylethenyl)-7-oxo-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,8,10-triyl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
52.18794	10.8
53.03946	45.4
55.01873	11.9
57.07071	100.0
57.92469	11.5
58.52119	12.7
67.05518	22.6
69.07059	16.9
70.27367	12.9
76.93805	13.8
79.05513	24.3
80.92561	13.9
81.03426	40.1
81.07038	25.5
84.96697	12.6
85.06551	34.3
91.05500	36.5
93.07086	16.1
95.05014	54.1
95.08623	28.5
105.07050	33.2
107.04966	33.1
117.07067	58.1
121.06525	24.6
123.04515	17.6
129.06992	25.3
133.06503	41.8
137.06035	14.7
137.09648	29.7
144.31360	14.6
145.06528	52.7
151.07570	21.9
153.09128	14.8
159.08151	17.5
161.06039	18.5
163.07562	19.4
179.10728	18.9
201.12805	50.6
217.12296	40.7
219.13911	49.7
229.12309	45.3
233.11812	41.9
245.11880	57.4
247.13152	98.7
263.12897	59.3
265.14444	26.4
306.92563	15.5
337.07278	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	545.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21314	10.1
55.93561	9.1
58.52013	9.1
67.05487	11.0
91.05455	12.0
95.08630	16.9
96.10090	10.3
102.37299	10.0
111.99051	11.2
257.88373	13.0
303.03012	14.1
545.30548	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3083
Annotation	Gln Ile Glu Arg
Peak:m/z	Relative Intensity
53.86512	5.1
67.05489	5.6
71.91209	5.4
75.78837	5.3
80.57091	5.6
81.07042	10.7
180.29231	7.0
446.24979	10.0
509.64288	7.8
545.30701	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
54.94600	2.7
55.01862	6.5
55.05499	11.7
57.03209	1.9
57.03427	18.2
65.03904	2.8
67.05493	88.5
69.07053	11.6
71.14892	2.1
79.05479	39.0
81.07043	64.6
83.08596	5.3
88.03976	21.3
91.05468	43.0
93.07030	52.4
95.04956	8.2
95.08596	43.9
97.06523	9.8
98.98467	14.4
105.07035	20.8
106.05045	3.0
107.08595	21.7
109.10145	11.5
117.07017	7.8
119.08562	17.1
121.10134	23.7
123.11708	7.5
129.05511	12.4
131.08560	10.7
131.40588	2.6
133.10168	15.5
135.11688	7.6
139.37762	2.8
143.08545	4.1
145.10159	4.7
146.10281	2.8
147.04379	3.5
147.11699	7.4
149.13193	3.7
159.11670	4.5
161.13223	6.4
171.11717	3.7
173.13315	5.3
185.13310	3.4
185.84386	2.7
187.13458	14.9
187.46877	2.7
200.14307	22.5
203.17946	4.4
214.15932	2.6
221.13303	3.0
271.32901	3.2
311.18710	3.2
361.27316	100.0
382.31006	65.1
500.20966	2.8
546.35718	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67857	1.4
56.86393	1.8
60.08163	8.8
69.25947	1.5
71.07358	3.9
83.45232	1.6
86.09699	42.0
98.98463	3.4
104.10735	3.1
125.00005	23.6
166.02635	2.2
184.07338	100.0
211.96248	1.9
256.13516	1.9
272.11478	1.9
301.41516	2.2
461.16998	2.0
471.32013	1.8
491.77844	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05001	1.1
56.56421	1.1
59.26439	1.0
60.08150	10.3
71.07358	3.7
71.42580	1.2
86.09698	45.1
104.10707	3.4
124.99998	25.2
184.07330	100.0
192.41324	1.4
387.98593	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	546.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91678	0.8
57.81442	0.8
58.06554	0.8
60.08156	21.2
67.05486	3.5
71.07362	8.6
72.16549	0.9
78.62087	0.9
79.05493	1.7
81.07052	2.3
86.09695	57.0
91.05471	1.4
91.71607	1.4
93.07040	1.6
93.08423	1.0
95.08604	1.3
98.98457	3.7
104.10736	100.0
124.57838	0.9
124.99993	26.0
136.84741	1.0
149.65581	0.9
184.07330	78.0
258.11090	1.1
447.71198	1.3
521.53815	1.3
528.34271	3.7
546.35480	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
87.45792	1.9
90.09548	2.5
142.79604	2.6
160.57025	2.7
185.04204	4.5
189.05203	27.6
190.05974	2.8
198.37299	2.2
230.07889	5.2
263.89276	3.6
272.62515	3.5
385.12744	14.4
547.17847	100.0
548.17987	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	547.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87505	9.8
56.96554	33.4
57.85169	9.4
65.96876	7.9
70.06551	7.8
73.02922	11.7
79.22782	8.2
89.05985	8.6
91.60034	9.0
98.97564	27.5
109.41550	9.4
116.98624	13.2
130.14212	9.8
133.08627	13.9
140.00201	28.3
183.47275	10.6
192.90541	10.2
194.74850	10.5
260.04391	16.3
283.05966	21.4
340.41373	11.1
396.16962	41.8
487.18512	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	13.0
58.32486	2.2
63.57246	1.8
79.81419	2.0
81.07061	14.1
84.96019	3.1
91.71655	2.8
95.08611	2.8
98.97582	33.3
100.56161	2.1
110.97581	3.4
116.98611	13.8
128.98631	4.8
134.99632	4.5
140.00168	21.2
140.00925	1.9
146.99641	4.3
152.00203	5.2
156.48640	2.5
158.01291	7.9
158.99683	8.9
161.01239	2.7
170.01256	5.3
170.99654	7.0
177.00752	6.0
181.02899	5.6
184.02806	3.9
193.02884	3.0
194.01273	3.8
200.02315	5.3
201.11000	2.3
212.02367	4.7
219.01779	8.0
237.02849	6.7
242.03380	9.2
260.04495	9.8
272.04388	2.4
283.06049	6.5
348.22452	2.4
355.14255	5.4
373.15265	16.2
391.80646	3.3
396.16959	40.6
414.18036	7.7
487.18481	100.0
528.20996	7.3
547.20374	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	547.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	23.7
59.22189	4.0
68.68324	4.0
81.07034	10.0
84.96038	5.8
98.97565	36.5
109.48399	4.5
116.94537	5.6
116.98626	19.1
117.32047	4.7
125.65916	4.3
128.24239	5.0
128.98636	9.2
134.99605	7.0
140.00191	26.4
143.00113	7.4
152.00177	6.5
158.01212	11.9
158.99675	8.8
161.01190	6.4
170.01283	7.7
181.02803	9.3
182.01270	9.4
184.02876	6.0
194.01309	9.5
200.02310	12.2
209.05127	5.9
212.02342	5.9
219.01811	12.3
237.02864	8.8
242.03368	14.0
253.78867	5.3
260.04471	10.1
283.06143	6.1
299.18448	5.1
355.14328	10.6
363.69562	5.2
373.15210	13.0
396.16980	53.8
414.17987	12.4
487.18469	100.0
505.19406	6.3
528.20654	22.7
547.19763	14.5
563.07837	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	547.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15906	1.7
54.22703	2.0
56.96551	15.5
81.07071	8.4
84.96061	4.9
94.92835	2.2
95.08619	3.8
98.97571	22.2
110.97589	4.7
116.98618	15.3
128.98656	8.0
134.99701	2.5
137.06024	5.4
140.00175	20.8
140.98654	3.1
146.99686	4.9
152.00256	5.3
152.98593	4.5
158.01294	8.1
158.99684	6.2
162.99254	2.6
167.99698	2.5
170.01295	3.6
181.02904	6.1
182.01358	3.6
184.02937	4.8
186.00858	4.6
193.02885	3.5
200.02380	5.9
201.00772	2.9
212.02386	4.2
219.01828	7.7
223.04083	6.3
236.94890	2.6
237.02960	8.3
241.34888	2.6
242.03450	13.6
260.04572	9.5
276.12711	4.1
277.44528	2.7
283.06143	8.9
355.14188	27.8
373.15228	19.7
396.16968	5.8
487.18521	100.0
545.70197	3.1
547.15515	3.4
553.27386	3.0
573.96881	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2146
Annotation	Phe Glu His Asp
Peak:m/z	Relative Intensity
51.29795	2.8
51.34853	2.8
54.91779	2.7
64.12186	2.7
86.09682	3.0
91.71117	3.4
96.60095	2.9
109.01574	3.4
120.95642	3.4
149.26744	3.5
159.04207	5.6
252.06361	3.2
329.49075	3.5
385.16052	6.1
447.12436	3.6
542.00696	3.4
547.21478	100.0
548.20978	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	547.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68638	2.6
60.04498	2.8
70.06578	3.2
81.03406	3.0
91.71047	8.4
95.08572	3.7
121.59932	3.6
125.85570	3.9
147.04407	4.2
191.77623	3.6
195.40611	3.5
196.75801	3.6
244.76105	4.6
387.48566	4.0
400.19537	5.1
415.95990	4.6
487.17993	5.8
491.87033	5.3
547.30835	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82688	2.5
60.39707	2.5
67.05494	2.9
76.02240	3.7
79.46048	2.5
81.07057	5.6
81.39865	2.5
85.02930	3.2
86.86564	2.9
91.05459	3.1
93.07054	3.3
96.93111	3.2
98.97570	4.3
120.62717	2.7
131.08626	3.2
132.98079	3.2
158.01357	3.0
181.38588	3.1
370.35623	3.4
370.40753	3.3
469.51749	3.6
480.48965	3.6
487.18298	3.5
547.22351	3.1
547.30841	100.0
562.23419	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	547.3603
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
56.81699	2.8
59.05624	3.1
63.04274	2.9
66.33164	3.5
67.57522	3.0
68.68073	2.8
84.49408	3.4
102.71056	3.6
120.70937	3.7
177.21667	4.2
376.35312	4.1
415.68439	5.4
547.35944	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.9
55.01867	8.1
55.05502	6.4
55.16020	4.8
57.03418	5.4
59.04972	7.1
60.04505	6.7
60.69356	4.0
61.02897	5.8
67.05482	7.2
68.49319	3.7
68.59918	4.4
69.03416	21.7
69.12612	5.2
70.06573	17.9
71.04993	6.5
72.08147	13.1
79.05483	16.7
81.03414	46.0
81.07047	11.5
83.04963	32.3
85.02892	59.7
86.09698	9.2
87.00822	15.5
91.05471	22.6
93.07027	14.6
94.36287	5.7
95.04968	11.3
95.08571	5.7
97.02883	25.5
97.06462	6.8
99.04465	6.3
105.01872	17.7
105.07036	19.1
107.04960	21.2
109.02899	22.0
109.06552	7.3
110.41320	4.8
116.07096	7.8
117.07033	27.3
118.89913	5.1
119.08547	10.5
120.08078	5.7
121.06499	17.2
125.05946	7.1
127.03927	26.4
129.07010	6.2
131.08557	18.3
133.06552	6.1
133.10097	5.8
135.08043	13.5
143.08565	19.6
145.05399	5.7
145.06490	42.2
145.10143	7.5
147.08023	9.7
149.05977	14.7
155.08556	11.4
159.08087	15.9
161.09631	31.7
163.07509	11.5
171.08066	18.9
173.09737	6.7
173.13246	10.5
185.09703	15.2
187.07585	12.6
189.09067	27.7
201.12732	77.4
207.10182	32.5
213.09027	8.3
219.13783	35.9
229.12183	46.3
231.10159	19.6
243.13817	8.3
247.13281	100.0
249.11226	10.5
265.14258	28.3
271.13327	20.6
289.14313	16.7
297.11279	6.7
354.22488	6.0
437.14297	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	548.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11390	3.0
53.71435	3.0
55.01854	7.5
55.05502	21.5
57.03420	14.8
57.07022	3.9
65.55739	3.7
66.25259	3.2
66.83046	3.3
67.05495	74.9
69.07066	34.6
73.02885	5.6
77.43513	3.7
79.05484	28.1
81.07052	72.2
83.08617	8.4
86.09709	9.9
88.03973	22.9
91.05470	20.8
93.07025	36.9
95.08591	44.6
97.06517	11.2
98.98437	18.1
105.07030	8.9
106.05031	5.6
107.08589	21.4
109.10147	14.8
119.08585	8.6
121.10135	25.2
129.05476	14.4
130.55542	4.1
131.08600	7.8
132.10208	6.4
133.10158	7.3
134.94571	4.0
135.11697	14.2
136.52509	3.7
140.65631	3.4
147.04454	7.7
149.13206	5.0
159.11681	7.9
159.62895	3.9
173.02013	4.7
235.06778	3.9
271.24210	5.4
363.28922	100.0
384.32510	4.8
465.08383	4.3
548.38019	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	548.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11390	3.0
53.71435	3.0
55.01854	7.5
55.05502	21.5
57.03420	14.8
57.07022	3.9
65.55739	3.7
66.25259	3.2
66.83046	3.3
67.05495	74.9
69.07066	34.6
73.02885	5.6
77.43513	3.7
79.05484	28.1
81.07052	72.2
83.08617	8.4
86.09709	9.9
88.03973	22.9
91.05470	20.8
93.07025	36.9
95.08591	44.6
97.06517	11.2
98.98437	18.1
105.07030	8.9
106.05031	5.6
107.08589	21.4
109.10147	14.8
119.08585	8.6
121.10135	25.2
129.05476	14.4
130.55542	4.1
131.08600	7.8
132.10208	6.4
133.10158	7.3
134.94571	4.0
135.11697	14.2
136.52509	3.7
140.65631	3.4
147.04454	7.7
149.13206	5.0
159.11681	7.9
159.62895	3.9
173.02013	4.7
235.06778	3.9
271.24210	5.4
363.28922	100.0
384.32510	4.8
465.08383	4.3
548.38019	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	548.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.1
55.05497	17.7
56.40390	6.9
57.03421	8.6
57.07035	7.6
67.05492	68.0
69.07052	26.6
76.36759	7.2
79.05476	17.5
81.07039	68.3
83.54008	7.6
88.03958	12.7
91.05466	16.5
93.07047	34.2
95.08594	44.1
105.07008	9.4
107.08572	19.7
109.10136	17.1
119.08605	11.1
121.10140	10.8
129.05394	12.4
131.08557	13.7
144.87108	8.0
184.07317	9.6
205.19408	10.3
208.97015	8.8
238.94788	9.6
363.28918	100.0
403.02258	9.7
493.97653	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	548.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24271	6.7
56.46238	7.4
59.55900	7.2
67.30077	7.2
69.07058	16.1
81.07056	14.1
85.02907	10.6
87.04475	14.7
93.07039	17.0
95.08583	41.5
97.02905	9.8
107.04865	10.3
107.08611	16.9
121.10163	19.8
123.08083	22.6
135.11697	16.8
145.10149	11.0
161.13235	15.9
163.11226	16.8
191.17877	11.1
201.16408	16.9
219.17412	100.0
237.18509	84.4
239.19968	9.6
255.87433	11.3
278.21063	15.8
285.53891	11.9
293.88171	10.0
376.96774	12.1
383.80194	9.3
464.92969	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	548.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67109	3.1
54.33223	3.2
69.03421	10.5
79.89400	4.0
82.68633	4.3
85.02902	6.7
87.04482	8.1
87.56667	3.8
93.70825	5.2
95.08620	17.6
97.02921	7.3
97.74785	4.5
106.21409	3.7
115.03921	9.9
119.87941	4.7
121.10150	5.6
123.08037	19.8
123.79222	4.4
133.04984	5.4
135.07924	4.2
149.09663	6.3
189.14218	4.7
219.17447	12.5
237.18465	100.0
548.14148	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	548.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56200	6.1
54.05802	6.1
55.05521	11.9
57.95481	6.2
60.08147	37.9
64.40073	6.1
67.05521	7.2
69.07091	7.5
79.05514	15.5
80.50449	6.9
81.07090	26.8
93.07098	11.0
96.87565	7.3
99.01441	7.7
99.03181	7.0
107.08650	11.8
113.01751	11.8
117.07047	9.3
126.02531	28.9
127.03245	70.8
133.10144	7.5
136.65909	8.1
145.04256	55.7
146.31100	7.1
147.04550	7.8
156.94211	10.0
185.09985	31.0
217.34930	8.5
504.32465	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65381	1.2
60.08149	7.4
62.13007	1.3
71.07359	3.6
86.09693	36.7
91.71072	2.7
98.98466	4.1
104.10755	4.2
113.77197	1.5
124.99989	21.6
136.79712	1.8
152.78659	1.4
166.02635	1.9
184.07327	100.0
259.71909	1.8
270.87671	1.9
548.37683	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	549.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10709	6.0
53.21377	7.7
55.01896	9.8
58.76344	6.9
85.81196	7.7
100.66726	10.0
124.13689	8.9
129.06978	15.5
131.04958	10.2
131.08617	12.5
135.04433	11.3
137.05968	82.0
147.04338	9.3
151.07620	13.0
157.06621	8.4
159.08064	12.2
174.06744	16.0
175.07539	13.5
189.09087	23.4
201.09050	18.6
219.10138	100.0
257.09515	9.4
265.08499	12.8
285.09177	14.5
287.10641	11.8
319.09735	13.6
329.11697	10.7
347.12753	34.2
365.13812	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23790	5.6
55.71925	5.8
56.76815	4.9
57.13712	4.8
69.07063	5.8
78.67340	5.7
82.44573	5.8
86.09689	17.6
91.71653	13.0
95.07215	6.8
104.10738	20.5
124.99998	9.1
132.27753	7.8
165.24022	7.6
184.07298	39.3
188.24478	8.1
285.10910	100.0
287.12567	43.5
326.13504	22.7
328.15158	16.1
548.38519	57.1
549.24487	20.3
549.38696	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	549.2494
Annotation	Cycloshizukaol A
Peak:m/z	Relative Intensity
51.31211	2.3
52.41348	2.5
65.09969	3.2
67.05503	5.0
69.07067	4.3
69.15776	2.8
87.95901	3.1
91.70928	3.8
121.10221	3.7
136.63274	3.6
253.53838	4.6
268.93845	3.7
356.01556	3.5
391.19168	5.5
405.20642	16.2
419.22687	6.8
420.22830	6.7
421.23926	17.6
433.19724	16.4
447.21542	4.1
458.28915	4.0
493.26212	5.2
521.25262	14.2
549.24927	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95629	8.4
72.60329	7.7
79.58241	8.8
80.59379	8.5
131.68700	8.1
133.41945	9.4
137.45891	8.3
142.49309	9.9
195.87183	10.1
206.52957	8.7
227.01448	9.5
240.38873	9.4
549.25708	12.2
549.33936	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94120	3.9
53.61357	3.7
54.72894	4.1
55.05498	24.5
57.07086	8.4
59.14714	4.0
67.05495	80.8
67.05836	6.0
69.07053	28.2
79.05505	16.0
80.05801	4.8
81.07042	99.8
81.07472	7.2
83.08597	24.9
91.05502	17.1
91.55610	4.4
91.56198	4.4
93.07016	24.7
95.08596	100.0
95.09154	6.9
97.10199	18.0
105.07076	7.5
107.08634	18.1
109.10150	44.6
111.11743	5.8
119.08595	5.8
121.10173	21.2
123.11687	22.8
126.55373	4.6
128.20294	5.2
133.10164	17.0
134.66054	4.7
135.11693	24.7
137.13312	6.2
139.11227	4.7
145.10100	7.9
149.13277	7.8
150.30392	4.7
159.11763	5.8
168.12679	5.1
215.17998	11.7
233.18991	9.4
251.20111	16.1
549.37354	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	549.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26032	4.3
50.83374	5.3
55.05495	23.5
63.66256	4.3
67.05163	9.9
67.05494	94.7
69.07050	22.0
71.51685	4.7
79.05484	15.8
79.26323	4.8
81.07049	100.0
83.08606	23.8
88.72609	5.2
91.05469	14.9
93.07047	20.6
95.04948	6.4
95.08587	78.8
97.10165	16.2
105.06992	11.6
107.08604	22.4
109.10138	36.4
119.08572	6.9
121.10155	27.8
123.11720	13.4
124.83433	5.9
131.08588	7.4
133.10089	15.7
135.11739	10.9
137.13246	9.1
145.57446	6.3
149.13234	6.1
159.91235	5.8
213.18686	6.1
233.19089	7.4
235.20578	6.1
251.20107	11.5
337.90259	5.7
423.27213	7.2
471.41901	6.9
530.50165	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	549.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09451	6.4
55.05502	16.9
62.10089	5.1
67.05497	49.5
69.07053	18.7
70.62144	5.5
71.04508	5.9
79.05482	32.5
81.07048	100.0
91.05464	40.6
93.07027	62.0
95.04953	10.7
95.08601	73.5
97.10242	7.7
105.07037	55.3
107.08591	46.8
109.10143	42.7
117.07027	14.1
119.08557	53.3
121.10113	49.6
123.11708	16.3
129.06990	8.7
131.08560	26.8
133.10109	31.7
135.11739	34.8
140.59145	6.3
143.08580	15.9
145.10086	38.4
147.11702	30.8
149.13274	20.4
155.08719	7.4
157.10216	14.4
159.11679	26.5
161.13252	19.4
169.10159	9.5
171.11714	13.9
173.13315	12.9
175.14763	9.2
176.45865	7.2
185.13266	14.4
187.14850	18.1
197.13316	7.5
199.14822	11.0
201.16446	10.0
215.17903	8.9
234.92903	8.0
241.19495	8.9
243.99477	8.7
375.93048	7.3
459.39832	10.9
485.41412	19.4
517.43872	27.9
549.35529	9.5
549.46564	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	550.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81006	2.2
59.96200	2.1
60.08152	21.4
67.05479	2.3
67.85677	2.2
69.07061	2.8
70.39109	2.2
71.07362	7.4
81.07022	3.2
86.09692	54.0
91.71613	3.2
104.10731	100.0
114.77325	2.3
124.99988	29.2
184.07330	74.3
184.08928	3.9
432.21057	3.0
532.37830	4.8
550.38562	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	550.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03247	11.1
54.58179	12.6
55.05481	16.2
67.05487	24.0
71.36855	11.6
79.23656	13.7
79.68327	11.5
81.07040	18.5
91.05461	31.0
93.07046	28.0
94.06543	41.5
94.97589	13.3
95.08623	20.3
100.00301	14.5
105.07036	24.4
107.08549	24.3
108.08120	22.7
115.35541	14.1
117.07100	13.8
119.08600	31.2
122.09633	15.9
131.08569	20.2
133.10167	17.6
154.94090	13.2
248.23824	21.5
260.23691	100.0
336.96796	15.3
561.45764	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	550.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	8.6
58.86868	7.0
67.05485	19.0
69.42805	8.0
69.85932	8.3
79.05501	12.1
81.07033	19.2
82.06570	16.1
91.05466	36.2
93.07033	19.5
94.06560	37.6
95.07336	16.4
95.08578	12.6
96.08144	10.4
105.07067	21.4
117.07059	15.5
119.08554	14.7
134.09639	17.1
136.00549	9.2
145.35034	9.2
148.48317	8.4
189.43489	11.4
231.21098	17.1
238.59885	8.9
248.23773	15.5
255.93074	8.9
260.23691	100.0
278.25122	10.2
297.02426	11.7
315.40234	10.0
449.38425	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	551.1394
Annotation	Syringetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03424	3.3
61.02910	4.3
62.69684	2.5
66.84070	2.3
69.03417	22.1
70.06567	4.3
74.35155	2.6
74.45063	3.0
78.48958	2.5
79.05517	3.0
81.03419	21.3
81.07034	4.2
85.02905	10.3
93.44937	2.8
93.77496	2.7
94.25726	2.7
97.02886	9.4
109.02898	9.9
127.03945	8.3
128.29636	3.1
153.01848	4.0
167.35439	3.6
179.88199	2.7
187.06012	10.3
258.05264	8.0
286.04648	4.4
287.05783	4.0
314.04486	3.4
323.57074	3.2
331.04477	9.6
332.05209	6.3
347.07559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28061	11.0
61.22629	10.9
61.40121	12.5
65.54682	11.4
68.62674	9.2
72.17944	10.6
75.03292	12.5
91.05459	24.7
95.20004	10.5
97.70633	13.3
98.49917	12.5
98.56165	12.7
98.91246	12.1
103.05456	23.2
105.03393	14.9
106.04171	51.1
115.05444	13.9
121.06512	29.1
131.04912	38.1
133.06503	21.1
137.06004	81.0
147.04419	28.7
149.06015	66.7
161.05988	42.8
162.06792	37.4
165.05473	13.8
177.05434	100.0
189.05476	28.5
239.88731	14.0
240.47586	15.0
291.09665	13.5
418.42444	14.9
440.76669	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	551.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04688	1.4
68.69634	1.4
71.65427	1.4
77.60542	1.5
80.26859	1.4
115.84055	1.6
118.06536	18.4
132.08118	5.5
132.85995	1.9
138.05478	3.0
143.07269	2.6
144.08061	10.0
146.06004	65.2
159.09229	6.1
183.90704	1.7
188.07057	100.0
205.09744	41.6
238.78995	2.1
246.62376	2.2
408.33560	1.9
554.36292	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	551.2274
Annotation	Lappaol B
Peak:m/z	Relative Intensity
51.68154	1.6
56.95842	1.5
57.07050	2.2
60.95840	2.4
65.03943	3.4
91.05474	44.9
91.06038	2.8
94.04170	5.2
94.97422	2.2
95.04955	6.4
98.48253	1.8
109.06570	1.9
111.24886	1.9
119.04931	21.1
122.03657	8.6
135.04482	2.0
136.05130	4.4
137.05966	100.0
138.06310	2.1
149.06012	2.5
151.07521	80.9
160.07552	2.2
175.07587	2.3
201.05524	2.4
208.08521	2.2
212.04634	4.1
218.84525	2.4
229.04903	4.9
243.07947	3.4
245.09901	2.9
247.13408	2.1
259.09576	20.7
261.09030	2.1
273.09180	2.8
274.09897	2.4
275.10471	2.2
277.08557	4.3
289.08478	2.1
289.12198	2.2
290.09378	2.8
291.10187	2.5
303.10202	2.8
305.11697	3.6
307.09622	5.0
316.66962	2.0
317.11694	9.8
321.11313	5.9
334.11844	3.7
335.12766	4.5
349.14304	6.7
353.13895	6.0
367.15366	8.2
473.19437	26.3
491.20682	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	551.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.3
64.46605	2.2
67.05488	14.2
68.97581	2.2
69.07057	3.8
70.06585	100.0
71.06903	7.7
79.05494	3.8
81.07047	15.2
82.00643	2.5
82.07377	3.2
83.08601	4.1
84.08132	3.5
86.10059	2.7
91.05455	5.9
91.71570	9.9
93.07043	9.5
95.08598	11.1
105.07034	3.7
107.08634	5.1
108.08126	3.8
109.10165	4.7
112.97270	2.6
116.47056	3.0
119.04971	7.4
119.08560	3.1
120.08108	3.0
121.10103	4.8
122.09642	3.6
147.04411	40.0
148.04712	10.0
165.05513	4.8
287.03448	3.3
291.38174	3.8
304.26340	13.0
305.26721	6.0
356.03558	3.4
369.20358	3.7
385.33026	5.8
386.34030	42.7
387.21210	10.7
387.34451	42.6
533.24542	7.5
550.38757	48.0
551.26196	72.6
551.39075	73.8
552.26270	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	551.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03513	2.0
81.91380	2.4
102.94004	2.9
119.09982	2.3
141.43208	2.4
155.06198	2.5
187.00325	3.1
193.39554	2.4
220.70363	2.8
277.57141	2.9
551.28253	100.0
552.28680	4.7
579.23956	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	551.2829
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
50.74538	2.0
51.53121	2.2
53.14647	2.0
54.39663	1.9
58.93298	1.9
65.18282	2.1
81.07055	3.9
93.07056	2.7
103.43310	2.8
106.35786	2.5
114.78491	2.7
129.10374	2.5
149.02286	2.9
159.74797	2.7
171.92223	2.8
215.15485	2.8
232.99921	3.2
240.85765	3.3
266.01837	2.7
270.44147	3.2
357.22726	3.2
410.51315	3.3
446.44135	3.4
551.28284	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2829
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
69.61276	1.7
74.86142	1.8
82.01138	1.8
89.18359	1.6
93.78942	1.8
118.33909	1.9
118.71846	2.1
120.42023	2.0
127.02831	2.1
141.49893	2.0
179.68530	2.5
235.73299	2.0
333.19226	2.4
406.29141	2.3
428.21878	3.0
551.28271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99960	1.5
66.51994	1.6
83.85907	1.5
122.25940	1.8
132.70006	1.7
145.62834	1.8
172.01674	1.9
207.04434	2.1
239.02863	1.8
283.13339	4.7
289.46436	2.0
306.14758	4.5
315.07333	2.2
332.12607	2.6
361.18732	2.0
407.23233	11.1
425.24295	7.8
473.27917	5.3
475.82669	2.1
491.29007	100.0
551.30908	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	551.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13744	19.7
50.62569	17.0
66.45973	18.0
67.05497	49.0
67.30276	19.0
67.65882	16.4
69.07048	48.4
73.69368	25.2
79.05470	19.0
81.07028	100.0
86.63658	21.1
91.05441	27.1
93.07043	71.1
95.08611	78.8
99.01688	18.4
100.69337	20.5
105.07025	38.3
107.08595	58.2
109.10149	76.5
119.08582	40.2
120.85728	22.4
121.10130	48.3
123.11679	33.6
130.13220	21.1
133.10139	36.7
135.11711	53.4
152.83153	19.9
206.73837	20.8
296.90524	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	4.4
60.04527	5.1
65.03930	0.9
69.03397	1.4
70.06586	5.6
72.08145	2.0
80.84292	1.0
83.06091	3.7
84.04495	100.0
85.02888	1.9
86.09700	16.5
88.03978	2.6
91.05462	10.3
101.07140	2.0
102.04869	2.0
102.05537	27.6
102.06199	1.9
116.07098	1.2
119.04942	6.9
119.86643	1.1
120.08151	2.1
121.06505	2.7
122.06027	1.1
129.06595	46.7
129.10245	1.4
130.04991	2.4
132.10213	4.4
132.16510	1.0
132.23560	1.4
136.07573	91.9
138.05557	1.0
147.07625	8.6
153.01845	11.2
155.01656	3.2
158.56425	1.4
167.08086	1.8
178.04947	2.3
195.02888	1.4
195.07536	2.5
202.08595	1.9
212.10333	5.0
223.07213	1.2
240.03282	2.2
240.09808	16.1
241.08154	5.1
246.12215	1.4
258.10825	16.1
271.00409	1.5
295.16507	18.0
308.18042	1.5
317.00986	2.4
318.61780	1.2
375.16772	3.7
401.10175	1.5
403.16254	5.7
405.21210	1.2
406.06107	1.6
421.16916	1.9
424.06729	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	552.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	6.7
57.64471	5.0
58.74899	4.3
63.69100	4.0
67.05486	20.9
69.03406	8.4
69.07061	11.5
74.56371	5.5
79.05486	8.5
81.03418	14.2
81.07047	37.5
83.08639	13.8
85.02892	33.7
86.09691	5.4
87.00782	5.5
93.07052	16.6
93.22647	5.1
95.08599	46.3
97.02885	15.5
97.10209	5.9
99.04486	6.9
105.07017	5.9
107.08601	12.2
109.02908	9.6
109.10166	22.3
119.08601	5.1
121.10137	15.6
123.11742	7.7
133.10138	6.7
137.09599	9.0
139.11258	5.2
155.38249	5.7
214.06978	5.4
233.19064	14.2
251.20052	58.0
269.21075	100.0
287.22122	40.2
290.10831	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	552.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29293	5.6
52.32183	7.0
56.05035	9.6
59.23787	6.8
61.67596	5.8
65.60625	7.4
66.86462	6.8
67.05466	14.0
68.49757	6.6
68.77921	7.0
69.07073	11.1
74.03410	7.6
77.32924	7.3
80.05034	8.5
81.07035	13.3
82.06562	10.7
91.05466	17.3
93.07060	13.9
94.06562	27.2
95.07331	10.0
95.08569	9.6
95.61380	8.3
104.74686	7.1
104.75437	8.6
105.06994	8.2
115.23293	7.8
144.27473	8.9
242.04366	7.9
262.25244	100.0
272.25601	11.1
297.89755	11.8
325.50879	10.9
335.69312	9.5
352.57294	10.1
414.66125	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	9.8
55.32257	6.6
56.05029	8.0
57.96164	5.2
67.05490	22.4
69.07072	15.2
79.05495	14.0
81.07053	9.8
82.06574	13.2
84.04980	7.2
90.87469	6.5
91.05480	12.6
93.07029	16.1
94.06551	34.7
95.07338	9.7
95.08607	16.5
105.07028	8.2
107.08606	10.5
121.10140	7.3
138.05554	7.0
164.16849	8.4
181.57393	8.1
207.32384	7.5
210.41855	6.7
262.25284	100.0
280.26752	9.4
534.48700	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24762	1.9
55.05497	9.6
56.02608	1.6
56.05018	6.3
57.07060	4.9
58.00426	1.8
60.04513	4.7
64.92207	1.9
67.05496	18.9
69.07059	15.6
70.06570	3.5
71.08597	2.0
79.05482	11.8
80.05005	6.5
81.07043	14.8
82.06565	12.6
83.08600	7.1
91.05460	13.9
93.07027	13.6
94.06551	31.4
95.04975	2.8
95.07327	14.0
95.08614	10.4
96.08122	6.5
97.10171	4.4
100.07613	2.5
105.07033	6.9
107.08617	6.3
108.08124	3.3
109.10159	6.9
119.08589	10.4
121.10146	7.8
122.09656	3.5
133.10141	4.2
135.11710	3.8
151.14766	2.2
169.67360	2.5
217.33369	2.4
233.22633	5.7
245.22607	3.2
250.25343	10.0
262.25272	100.0
272.25812	5.5
280.26358	10.0
284.07883	2.3
322.01410	3.1
329.07550	3.0
504.46924	5.0
516.47620	4.7
534.48688	5.9
563.70099	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	552.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39710	8.9
67.05502	12.7
77.75026	9.4
81.07038	16.5
82.06550	13.3
91.05476	11.8
93.07071	12.9
94.06544	18.0
95.08592	17.5
96.08121	11.5
105.07002	10.9
113.16000	9.5
114.20679	11.7
119.08573	15.5
119.31841	10.4
130.46925	12.1
149.03462	11.3
149.86092	10.3
222.38194	11.3
223.64354	11.4
262.25266	100.0
272.49615	13.9
280.26321	15.6
284.08875	11.7
427.40067	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	552.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81165	20.6
53.62465	21.5
54.12298	30.7
56.05022	26.9
57.07068	32.8
58.91929	21.3
64.30328	23.7
67.05491	78.7
69.07056	32.7
71.08630	32.4
79.05470	32.8
81.07037	68.8
82.06592	76.3
90.64722	24.7
91.05464	54.5
93.07005	45.6
94.06544	38.8
94.89664	26.8
95.08579	77.7
108.08112	41.2
108.73052	26.7
109.10153	28.7
119.08639	48.0
121.10129	29.5
209.70465	35.0
262.25198	100.0
280.26447	68.5
290.36234	31.4
311.86633	30.6
534.48474	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	553.057
Annotation	Unknow
Peak:m/z	Relative Intensity
63.26504	3.2
65.14552	3.1
68.25552	3.2
79.18635	3.2
94.27218	3.7
124.38659	4.1
167.00972	3.9
208.38356	3.7
210.94067	100.0
210.97450	19.5
381.08401	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	553.1125
Annotation	Cryptomerin A
Peak:m/z	Relative Intensity
53.36526	0.7
55.75299	0.8
56.17853	1.8
56.98780	0.7
57.37205	0.8
57.69469	0.9
58.27510	0.9
59.45780	0.9
65.03928	3.7
67.61505	0.8
68.99784	1.3
90.23808	1.0
95.11183	0.9
111.04426	3.1
121.02865	68.6
121.03891	2.9
145.02751	1.3
145.06493	1.2
153.01868	6.8
207.82549	1.2
239.07010	1.5
267.06650	2.1
270.49750	1.1
283.06085	2.3
297.07608	1.3
325.07242	1.4
335.79028	1.3
347.05530	2.4
351.77795	1.3
369.07443	2.3
376.05966	1.3
401.10257	4.3
403.04556	4.6
417.05942	6.6
418.06757	2.8
427.29062	1.3
509.30679	1.7
517.08289	1.3
521.08606	9.4
553.11237	100.0
554.11414	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	553.1129
Annotation	Cryptomerin A
Peak:m/z	Relative Intensity
53.23988	1.3
67.01864	2.3
67.04481	1.7
67.05489	2.2
73.54581	1.6
75.61976	1.8
95.04942	2.0
121.02859	7.6
129.31679	1.7
132.40915	1.8
133.06424	2.5
135.04408	16.7
153.01799	13.9
159.04416	3.7
159.52234	2.4
164.05083	1.9
164.58711	2.3
177.05481	2.0
179.75737	2.5
180.01039	1.8
237.70837	2.4
239.00369	2.0
255.06531	3.0
283.06100	7.2
284.06561	2.7
307.06055	7.2
319.06143	2.7
321.07660	2.6
335.05536	8.8
347.05359	3.9
359.05246	2.8
377.06448	9.8
401.10422	2.9
403.04242	11.5
421.05579	3.6
495.01669	2.4
553.11285	100.0
553.29657	7.9
554.11792	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	553.1126
Annotation	Neocryptomerin
Peak:m/z	Relative Intensity
50.60064	1.6
51.51500	2.1
51.80515	1.7
82.25447	2.2
87.00198	2.1
91.05467	2.6
121.02841	11.5
147.04445	3.0
167.03378	12.2
174.67961	2.7
184.07414	3.0
217.91197	2.3
297.07516	6.3
321.07480	5.4
325.07156	2.7
333.07483	3.2
345.07617	4.9
348.06766	2.9
349.07196	6.2
361.07178	7.0
387.08694	3.7
389.06830	2.8
390.52042	2.4
391.08115	17.9
406.88315	3.0
417.05890	8.7
421.10110	2.6
435.07617	4.1
553.11212	100.0
553.29352	14.1
554.11353	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	553.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81778	1.4
57.63414	1.5
60.53176	1.4
61.91597	1.6
63.17862	1.3
65.03944	2.7
65.20181	1.3
67.05492	1.6
71.01361	4.0
79.05479	3.8
81.03389	3.8
94.04147	2.0
95.04954	7.0
103.05424	2.3
107.04954	7.4
110.09038	1.7
111.04423	2.2
115.05438	2.4
122.03648	4.6
123.04441	3.2
125.05957	2.0
131.04921	4.5
133.02872	2.1
133.06459	2.6
135.04419	6.4
137.05969	100.0
141.05417	1.8
145.06470	2.9
147.04428	2.0
149.05984	3.3
150.06796	2.2
151.03899	68.1
151.04930	3.6
153.05428	3.0
157.06409	2.2
160.05171	2.1
161.05963	5.4
163.03992	2.9
165.05444	3.3
167.07074	3.3
171.18527	1.7
173.05978	2.8
175.07542	6.0
177.05463	4.3
178.06198	8.2
179.06956	2.7
187.07521	3.5
195.06519	6.3
196.07294	2.5
199.07494	2.6
203.06918	1.7
205.08618	4.3
269.07950	3.2
289.96011	1.7
297.11261	2.8
299.12558	4.2
309.11264	3.1
321.11581	2.1
327.12241	3.4
345.51678	1.7
357.13293	2.6
373.70609	1.8
431.42810	1.8
459.29752	2.0
516.77173	2.0
553.26392	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	553.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91001	1.6
67.05486	3.2
81.03407	11.4
83.31171	1.9
91.05453	2.6
91.71687	2.4
94.04180	3.6
95.04934	2.5
103.05503	3.1
108.02051	3.0
111.04427	2.3
115.05445	3.8
119.04919	2.8
122.03645	5.5
127.48604	2.3
131.04932	4.4
137.05968	80.5
140.43509	2.1
141.05482	4.7
146.28017	2.3
151.03900	100.0
151.04976	7.5
153.05434	4.3
155.48112	2.4
161.06012	4.2
163.07552	2.8
175.07542	3.6
177.09215	2.8
187.07610	2.6
189.09128	2.5
191.07011	6.6
201.09143	6.6
203.06982	19.6
203.08574	2.4
205.08574	4.4
221.06128	2.9
221.08165	7.4
233.08070	4.1
309.11108	4.7
363.12250	3.4
399.14392	3.2
469.15540	2.8
506.56052	2.8
517.18469	4.0
550.56598	2.6
553.26300	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	553.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09174	5.5
52.24587	5.4
55.01861	12.9
55.05494	14.8
57.03436	10.2
67.05505	43.0
69.03416	25.7
69.07049	21.8
70.06594	16.2
71.04980	46.8
71.46252	4.9
76.36948	5.0
79.05499	34.2
81.03400	20.2
81.07049	70.5
83.04967	6.7
85.02904	100.0
85.06535	13.5
86.09712	7.3
87.00820	9.4
87.04447	8.9
91.05468	27.7
93.07049	64.7
95.04953	14.9
95.08601	86.8
97.02882	13.5
99.04446	51.9
99.08101	19.0
101.06004	10.0
103.15677	6.7
105.07033	26.9
107.04997	9.0
107.08608	26.4
107.20147	6.0
109.02912	10.8
109.10170	25.0
111.04462	10.3
113.09708	6.5
114.82333	7.3
115.03939	26.3
117.05501	22.1
117.07008	13.6
119.08539	15.0
121.06508	17.7
121.10149	56.2
127.03919	20.0
129.05492	12.3
131.07042	9.3
131.08566	21.3
132.66956	6.8
133.10143	6.4
135.08096	7.6
135.11681	14.0
137.05997	12.6
137.09683	7.7
139.11165	44.3
140.71924	7.0
145.04942	7.9
145.10132	9.4
153.12708	11.3
155.08458	7.3
157.10179	8.2
157.12248	13.4
159.06599	6.6
159.11690	49.7
173.13278	23.5
177.12737	10.2
183.11690	16.8
191.14362	15.9
201.12717	32.5
219.13812	49.0
233.15308	14.6
237.14948	18.0
251.16438	27.6
255.15878	36.3
269.17413	12.3
273.17026	17.5
287.18671	22.9
333.02951	6.9
417.48605	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	553.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	13.4
55.86849	5.1
67.05495	74.7
69.03401	8.2
69.07047	29.7
70.48499	7.5
71.04974	18.5
79.05458	29.6
81.03399	12.8
81.07045	100.0
83.08604	16.4
85.02887	22.7
85.06551	10.0
91.05449	16.5
93.07029	36.1
95.04938	6.3
95.08597	82.2
97.02887	7.8
97.06525	8.8
97.10152	7.4
102.78176	6.1
105.07013	14.5
107.08581	26.6
109.02892	11.8
109.10143	55.5
111.08050	9.1
119.08597	11.7
121.10128	38.2
123.11729	18.2
127.03921	20.8
131.08562	12.7
133.10123	21.6
135.11690	29.5
137.06004	37.5
137.09618	8.5
145.10138	10.9
147.11697	8.6
148.17131	6.8
149.13330	9.7
151.03781	8.2
151.11166	8.3
159.11639	8.8
179.32219	7.8
188.03079	7.5
191.17894	21.3
209.19058	21.0
215.17885	32.4
233.18991	19.4
240.27951	7.1
251.20050	28.8
269.21024	50.3
287.05518	17.6
287.22156	55.3
310.44077	7.8
312.19275	9.3
382.45267	8.9
395.55057	8.6
553.32257	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.298
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
58.79729	2.1
65.32868	1.8
66.59614	2.0
74.48030	2.0
80.23249	2.0
93.77681	2.4
115.38590	2.5
202.56430	2.4
203.05261	3.3
249.80855	2.3
259.07828	3.0
264.34576	3.0
340.25235	2.6
553.29810	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03095	2.0
55.13396	2.2
84.91487	2.3
87.92284	2.1
122.41620	2.4
140.18745	2.4
198.83484	2.6
211.47902	2.4
259.08026	3.9
287.24356	2.5
331.09949	4.4
443.60733	3.4
553.11035	3.8
553.29767	100.0
554.30017	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	554.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.6
68.83701	0.4
69.03395	0.5
70.06573	1.0
85.02894	3.4
86.09702	1.0
88.66602	0.5
91.71005	1.0
95.04951	0.9
97.02859	1.3
103.05460	32.1
107.60707	0.7
111.04434	0.6
117.07072	0.5
125.05977	1.0
131.04921	100.0
132.22304	0.5
137.06004	3.4
145.04913	0.8
153.05481	3.2
163.07527	49.4
175.07446	0.5
177.09077	0.5
191.07019	1.7
201.06636	0.5
203.07013	3.6
205.08653	1.7
317.07007	0.6
408.54657	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20246	2.5
53.03937	6.2
55.01859	5.6
55.05490	5.0
57.03421	6.0
61.02909	6.7
65.03922	3.2
67.05167	4.4
67.05496	49.5
69.03424	35.6
71.04977	3.5
73.02895	6.7
81.03403	35.6
81.07049	8.9
85.02898	100.0
87.00838	28.9
97.02882	35.5
99.04440	13.4
105.01858	59.2
109.02875	34.9
109.10150	26.1
115.61115	2.9
117.01908	2.8
127.03904	71.3
127.04790	5.3
129.01889	5.2
145.04968	24.8
146.04527	3.8
159.02875	16.2
167.59790	2.7
168.38991	2.7
175.82578	3.2
213.03899	7.5
231.05045	20.6
249.06047	7.7
254.48924	3.5
279.14197	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	554.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50385	8.2
60.59513	7.8
65.21578	7.5
85.02886	15.3
91.05470	12.8
91.71636	21.9
105.07030	10.1
130.04155	23.7
131.04933	40.2
137.05940	12.8
144.87930	10.2
147.04391	16.4
150.06747	16.1
162.06725	81.5
163.07553	41.7
191.41141	12.2
224.41479	11.9
253.03716	12.9
283.13275	13.5
298.11679	12.6
309.14624	10.8
325.06830	16.0
332.12665	12.7
357.09949	14.2
407.23645	20.8
427.25089	14.9
491.29132	72.4
529.13354	11.1
554.28680	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97985	3.7
53.72521	3.2
57.07072	33.6
60.22322	3.7
61.24759	4.0
68.64604	3.9
69.07050	5.9
71.08614	30.1
73.06533	5.3
77.29578	3.6
83.08616	4.6
85.03617	4.0
85.10169	18.1
87.04409	5.2
89.06015	100.0
101.43073	4.3
114.18797	4.7
130.08636	16.5
133.08607	58.8
149.95331	4.3
177.11252	19.5
327.20285	15.6
456.38931	5.1
537.43811	12.6
570.37488	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	554.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07055	43.8
59.04961	18.1
65.76846	8.3
71.08613	45.8
75.91906	10.8
78.74227	10.3
89.06015	100.0
108.67229	10.5
109.27460	12.3
119.06429	12.1
130.08640	25.4
133.08623	50.8
149.46152	12.6
152.07794	15.2
203.30576	12.6
247.05696	13.3
308.33588	16.1
327.20248	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1286
Annotation	Lanceolatin B
Peak:m/z	Relative Intensity
65.73447	1.8
67.01857	22.1
68.99781	7.5
71.33334	1.8
71.68830	1.7
71.79483	1.6
76.90590	1.9
93.03400	4.9
95.05022	2.9
133.06459	10.5
135.04404	24.7
147.94243	2.0
149.15211	2.2
153.01817	53.8
153.02986	3.3
159.04433	5.2
171.02884	37.4
171.04240	3.5
177.05511	4.9
253.04991	5.2
284.06851	7.8
297.03940	2.7
343.09778	2.8
362.54846	2.3
377.10095	2.5
388.09537	3.1
403.11743	75.8
429.09671	8.8
495.59259	2.3
555.12842	100.0
556.13269	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	555.1288
Annotation	Lanceolatin B
Peak:m/z	Relative Intensity
52.11031	1.3
65.03934	2.0
67.01855	18.4
68.99792	5.2
71.93536	1.6
85.68233	1.7
91.05556	1.8
111.00817	3.6
111.04451	2.3
121.02863	67.7
126.76738	1.7
129.01843	2.2
138.18176	1.7
138.64360	1.8
143.01028	2.1
147.04431	2.0
147.08041	2.4
149.87671	2.0
153.01836	40.0
171.02885	33.5
171.04213	3.2
199.13046	1.9
253.05057	5.3
268.07394	7.4
277.73849	2.1
279.02805	2.1
285.07645	2.3
316.37469	2.1
318.48254	2.7
371.09140	4.1
403.11731	56.4
403.16830	3.9
429.09644	8.9
495.35999	2.5
525.92621	2.0
555.12872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2221
Annotation	Cerberalignan D
Peak:m/z	Relative Intensity
51.11599	3.2
52.67407	3.1
54.33154	3.0
55.01862	6.7
60.52037	3.5
65.03911	4.3
79.05511	6.7
91.05466	9.3
95.04958	7.8
101.12856	4.0
103.05510	4.4
103.76746	3.8
107.04945	11.5
110.22555	3.9
115.05442	12.6
117.06988	5.8
119.04861	5.7
122.03625	4.8
128.06210	8.0
129.07005	22.6
131.08574	13.1
135.04404	4.6
137.05972	56.1
141.06982	9.3
144.05724	23.4
145.06506	8.4
147.04402	9.4
149.06032	5.5
151.03911	94.7
151.05055	9.9
157.06503	6.1
159.08064	26.5
160.05228	8.7
161.05995	4.0
161.09622	7.5
171.08031	25.8
175.07524	100.0
175.08913	8.4
177.05406	6.4
179.07101	6.0
187.07500	53.5
189.09090	13.5
195.06552	4.7
199.07558	10.9
202.07802	7.4
205.08562	10.1
217.08617	8.4
219.10167	8.0
254.36374	4.4
261.11365	7.9
291.09982	7.5
309.43579	4.2
311.12704	4.9
323.12674	6.2
365.13834	17.2
375.79721	4.8
381.13199	47.4
413.15924	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	555.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
65.12495	4.7
91.71156	16.5
117.03407	7.4
139.84015	5.8
177.05559	26.8
186.05452	7.8
234.87654	6.2
243.60785	6.1
273.12054	5.9
312.84570	6.0
330.17526	18.1
471.18445	14.1
511.21558	7.7
535.95050	6.9
555.27661	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55468	18.7
52.82904	19.2
57.07068	20.2
60.63797	21.1
64.65943	20.5
79.73889	24.4
107.75266	25.3
114.46696	23.3
128.41620	22.8
182.06712	25.2
249.76389	24.9
262.00989	24.4
555.29205	100.0
581.50433	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	556.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.5
65.03927	1.6
65.78585	1.4
69.03403	3.0
70.06610	3.7
71.04943	1.3
80.50320	1.4
84.04465	1.6
85.02896	11.4
86.09715	2.5
88.00890	1.4
91.04013	1.4
91.05466	2.4
91.71613	1.4
94.04131	1.4
97.02887	3.6
103.05472	14.2
109.06535	2.3
115.80044	1.4
119.04906	1.7
121.06500	1.6
122.03639	4.6
122.39444	1.5
125.05997	1.7
127.03883	2.5
129.07022	8.6
130.04837	1.9
131.04916	25.1
132.38486	1.6
136.05290	1.7
136.06175	9.4
137.05972	100.0
143.04959	1.7
144.05649	2.8
145.05026	3.1
145.06331	1.4
147.04414	3.2
149.06024	2.1
151.07550	2.5
157.06516	5.4
160.05156	3.0
163.07535	5.3
172.05212	5.9
174.06754	6.9
175.07529	28.6
179.07109	2.1
187.07536	56.4
189.09106	22.6
191.08664	2.9
199.07549	3.0
203.08626	5.8
205.08641	4.5
214.63487	1.9
214.89337	2.1
217.08586	21.9
219.08156	5.6
231.08047	6.8
236.08040	1.9
247.07527	5.5
248.08279	4.9
251.10815	3.6
259.07538	2.5
261.93671	1.8
263.10583	8.8
265.08337	2.0
270.08936	2.3
271.09628	2.6
276.07883	3.0
277.08456	1.8
279.10153	8.4
283.96936	2.0
291.10071	14.5
296.10458	5.5
297.11057	1.8
311.12659	13.9
323.12762	26.0
324.13034	2.3
341.13779	54.7
394.20435	2.3
543.71191	2.0
573.69983	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	556.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06580	28.0
85.02907	10.1
86.09676	8.9
86.50514	5.5
113.01885	6.3
137.05960	100.0
138.36842	5.6
143.08656	5.9
144.10938	6.2
174.06725	9.5
175.07536	26.3
187.07545	51.9
189.09215	15.1
203.08534	6.5
217.08661	22.1
245.74309	6.6
247.07614	8.4
279.10132	8.8
291.10141	23.9
298.22021	6.3
305.89578	7.0
311.12720	16.6
323.12729	19.4
336.88013	6.2
341.13776	65.5
351.76480	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	556.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18817	2.5
52.07095	2.4
53.12271	2.8
53.43161	2.0
55.10209	2.4
62.55117	2.7
62.63915	2.6
63.32520	2.6
69.03419	5.8
85.02890	13.9
85.57630	2.6
86.01951	2.8
103.05472	8.9
112.87858	2.8
115.05476	2.8
129.06973	5.5
131.04913	17.5
137.05975	100.0
145.04918	3.9
145.13544	3.5
157.06537	5.5
163.07588	7.2
172.05269	3.7
172.95776	3.1
174.06778	9.2
175.07503	16.8
187.07532	50.8
187.81291	3.5
189.09172	12.1
203.08461	5.2
204.34074	3.7
205.81372	4.0
217.08569	18.7
231.08092	4.9
247.07626	5.0
248.08453	5.1
259.07578	4.6
263.10660	8.1
264.07727	4.2
279.10269	8.8
291.10220	16.0
311.12848	10.2
316.13577	3.6
323.12820	19.9
341.13870	44.3
398.13684	3.9
484.11346	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	556.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33882	2.3
58.01675	2.1
69.03425	4.0
72.26266	2.4
74.13373	2.4
76.29532	2.9
85.02898	23.2
97.02882	3.9
107.71622	3.4
109.02866	2.9
112.25953	2.8
122.03625	5.4
122.41775	3.0
129.06995	8.0
131.04912	4.4
137.05974	100.0
142.08997	2.7
149.05963	5.3
157.06482	9.6
163.07550	3.8
174.19824	3.1
175.07512	5.7
181.37158	2.9
187.07567	4.7
189.09106	17.7
205.08609	7.1
217.08617	17.1
219.08157	3.4
235.09682	22.6
263.10599	4.9
279.10129	4.1
291.10165	10.2
294.94492	3.0
311.12708	7.1
323.12808	17.0
329.13821	11.6
340.06531	3.6
341.13879	13.0
471.17471	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	556.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.8
61.37778	2.0
66.89626	1.9
69.03416	3.9
70.06589	13.1
79.05463	2.7
81.64501	1.9
85.02895	8.9
86.09661	2.6
87.32688	2.0
91.05473	17.3
91.71071	2.3
95.04976	3.6
97.02921	3.3
103.05474	24.0
105.03390	4.1
105.07027	9.0
107.04939	3.2
109.06512	5.0
115.05460	4.0
119.04942	24.7
122.03611	3.6
127.03838	2.3
128.96159	2.2
129.07016	11.4
131.04929	65.7
133.06477	9.6
137.05975	100.0
143.04907	3.0
147.04422	9.7
149.05994	5.2
151.07536	13.2
153.05443	5.0
157.06476	8.5
160.05244	2.3
161.05975	32.1
163.07523	26.3
172.05130	3.7
174.06783	2.9
175.07545	20.2
179.07033	9.2
185.06081	2.8
187.07549	20.0
189.09076	14.6
191.08662	3.0
193.08701	3.3
205.08577	8.1
217.08589	6.7
219.07938	5.8
229.15590	3.1
231.07950	2.8
235.09616	7.1
251.10564	3.7
279.10086	8.4
291.10168	9.9
311.12820	16.7
323.12662	8.7
329.13962	5.5
341.13895	13.3
409.63348	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53917	0.9
60.04539	0.9
60.23135	1.0
69.34979	1.0
70.06595	3.0
73.17760	1.0
81.07069	1.1
83.05013	1.3
85.02905	2.3
86.09723	1.5
91.05495	2.9
97.02889	1.1
103.05508	4.7
109.06552	1.4
111.04470	3.0
115.05486	2.0
117.07085	1.7
120.45805	1.1
122.03680	5.0
125.06036	3.0
128.06262	4.1
129.06992	18.4
131.04904	15.2
131.05772	1.2
136.06221	4.6
137.05972	100.0
143.04903	1.1
144.05615	1.5
144.19885	1.1
145.06523	3.1
149.05998	1.5
151.03865	1.4
151.29594	1.1
153.05470	6.8
157.06483	16.6
160.05263	4.4
161.06003	2.9
163.07487	7.2
172.05247	3.4
174.06708	6.6
175.07521	29.7
177.76042	1.4
179.07047	1.2
185.05977	1.6
187.07529	34.0
189.09088	26.7
191.08623	1.5
199.07471	1.3
203.08575	3.2
205.08624	5.2
207.10199	2.6
217.08629	8.6
219.08188	3.1
227.06975	1.8
231.08083	2.3
231.15685	1.3
235.09726	1.6
247.07474	2.6
248.08337	2.7
251.10745	1.4
259.07397	1.7
261.00772	1.3
263.10730	2.7
270.08920	2.8
271.09625	2.7
276.07813	1.6
279.10300	4.1
291.10059	7.2
311.12775	13.0
323.12714	13.7
329.13733	1.9
341.13797	22.5
359.15091	2.3
394.20932	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	556.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	7.1
57.03428	10.6
63.98725	6.5
67.05483	25.5
69.03383	6.9
69.07060	12.4
70.06593	10.2
71.04978	30.2
72.08151	10.4
79.05473	16.1
81.03347	6.2
81.07039	22.7
83.04952	10.1
85.02904	51.4
86.09686	12.2
91.05486	9.1
93.07046	31.1
95.04957	6.0
95.08601	100.0
97.02908	10.0
99.04455	21.6
103.03948	13.3
105.06981	9.5
105.78558	6.9
107.08598	11.6
109.10147	12.6
115.03975	7.4
116.07100	8.2
117.06985	10.0
119.04963	7.0
119.08563	7.4
121.06622	6.3
121.10112	37.0
127.03857	8.0
131.04936	10.8
131.08540	7.7
135.11742	10.8
137.05984	25.5
137.21919	6.8
139.11191	29.7
153.12712	10.4
159.10257	9.9
159.11697	18.0
161.05997	11.4
166.21382	6.6
172.07173	7.5
173.13123	8.3
185.08186	6.9
201.12857	11.6
215.12859	28.5
219.13826	24.7
237.14926	18.1
255.15881	37.0
273.17047	26.9
314.27777	6.5
340.74146	8.1
394.18878	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54616	1.1
53.03951	5.2
55.01872	6.9
55.05523	2.1
57.03435	5.1
61.02926	6.2
67.05492	1.3
69.00883	1.3
69.03418	35.5
69.03763	2.4
69.07058	14.6
71.04995	5.8
73.02909	7.4
81.03410	31.2
81.03865	1.7
85.02895	100.0
87.00820	30.1
87.01321	2.0
91.03970	2.0
97.02884	38.9
99.04443	15.4
105.01855	58.1
109.02868	38.5
111.11734	2.1
117.01854	2.1
127.03907	69.6
129.01842	2.3
145.04956	25.2
146.04587	2.3
147.02917	2.4
159.02878	15.1
166.08022	1.4
168.06624	2.0
189.04042	4.2
213.04028	6.4
226.00069	1.6
231.05005	19.8
249.05969	6.8
271.08170	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72555	3.2
50.94429	3.0
51.20286	3.0
57.06806	4.3
57.07068	57.3
57.36379	4.0
67.78790	3.4
69.07061	6.2
71.08622	50.2
72.08140	3.7
73.06548	3.7
85.10168	37.5
87.04462	9.9
89.06022	100.0
99.11709	7.1
117.09155	6.5
130.08658	33.0
133.08594	57.2
177.11192	23.8
233.38490	4.3
257.24692	4.5
260.81491	4.3
299.84476	4.6
301.27417	5.5
319.25735	4.5
371.22620	20.8
539.41833	10.0
556.42902	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	556.459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	26.0
56.86861	7.1
57.07067	14.3
60.12721	6.4
67.05492	78.1
69.07056	40.0
71.08639	11.8
78.32491	6.3
79.05493	12.1
81.07046	92.9
83.08607	31.3
85.10175	9.1
89.06010	39.5
91.05492	6.6
91.71600	8.7
93.07037	29.1
93.63173	6.4
95.08604	100.0
97.06553	10.8
97.10155	23.9
104.10739	90.3
104.28683	7.5
105.07023	8.1
107.08589	15.5
109.10170	44.1
119.08575	9.9
121.10142	20.9
123.11742	8.6
130.08621	15.0
133.08623	29.8
133.10129	17.0
134.67549	7.5
135.11662	18.6
137.13228	11.6
148.69624	7.9
149.13234	7.9
151.11206	9.0
177.11206	11.8
201.33954	7.2
233.18944	13.1
233.44501	7.9
235.20631	14.0
251.20056	60.8
253.21616	32.7
270.18555	7.6
297.88336	8.7
306.79880	8.3
311.29477	11.7
371.22699	12.4
402.66354	8.9
526.61029	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	557.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89867	6.0
67.03972	7.5
83.49295	7.9
84.46336	8.3
90.95297	7.3
93.23177	8.2
101.00867	11.4
103.06701	7.1
119.01902	51.7
124.01662	9.5
124.02428	16.4
131.01984	22.7
135.04230	7.3
139.17329	7.9
142.03488	40.8
143.01968	33.4
145.03438	62.6
154.03517	11.4
155.01932	28.6
159.05061	16.1
161.03065	29.0
165.05093	16.2
168.05043	42.5
169.03448	50.3
173.03003	31.6
182.06760	15.4
184.04573	43.9
185.02937	52.9
186.06160	11.0
187.04430	52.1
194.06693	11.4
196.04677	36.6
197.03076	12.1
203.04091	14.0
208.04547	41.7
210.06081	74.6
211.04602	10.3
213.02483	13.3
215.04057	11.4
220.04567	13.1
222.06145	11.1
226.05640	16.0
227.04228	11.0
245.05005	100.0
254.04988	19.5
271.06870	16.9
275.02612	55.0
275.06018	19.4
286.07800	19.9
287.02606	24.1
292.86560	8.8
293.03601	17.2
305.03867	14.1
305.07205	14.0
316.05173	32.5
316.08725	12.2
335.04630	22.5
335.08560	9.7
359.04575	23.3
377.05615	44.9
395.06625	91.8
557.11639	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	557.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92797	2.9
56.96344	3.6
56.96556	43.8
62.07349	4.2
73.06020	4.6
76.68821	3.6
80.53417	4.0
81.18151	4.1
82.27637	4.0
84.96034	8.6
87.44571	4.5
98.61163	4.3
98.97588	46.6
110.97565	5.0
115.72559	4.6
116.98619	17.9
125.98645	5.5
126.02439	4.8
127.03236	8.2
131.00130	6.2
134.99678	7.8
140.00179	32.9
143.00156	11.3
146.99751	5.0
152.00182	11.3
154.01900	4.4
158.01183	9.6
158.99684	14.3
161.01213	7.6
166.01764	12.2
170.01247	7.2
170.99644	7.2
177.00795	8.8
181.02876	11.5
182.01234	6.8
184.02840	14.8
185.09865	7.0
193.02950	7.4
194.01198	5.0
200.02289	38.3
203.02216	6.0
207.04440	15.5
207.21506	4.5
212.02423	8.9
213.26218	4.5
219.01799	9.1
224.02321	6.2
226.03885	11.0
235.03769	4.2
242.03224	20.6
260.04428	7.7
265.05188	5.4
280.88052	4.5
283.06042	10.2
374.07562	21.3
406.11627	10.2
416.58142	4.4
474.27484	5.8
497.13306	100.0
505.83972	5.4
513.31641	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	557.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	56.7
60.18145	5.6
61.99506	5.7
68.57446	5.2
69.66228	5.8
75.29903	5.5
76.54277	6.1
84.57156	6.0
84.96008	13.2
85.72675	5.8
90.19699	6.8
91.13623	8.4
95.08594	15.3
98.97575	73.8
99.80002	5.8
110.97598	19.4
113.46897	6.6
114.21664	6.6
114.58462	6.5
116.98608	36.5
128.98586	36.0
134.99678	8.7
139.03905	12.4
140.00201	66.0
146.99663	23.6
152.00191	34.7
152.98560	13.0
154.05750	7.2
158.01256	20.2
161.01178	11.3
164.00232	6.6
166.01852	12.0
170.01213	35.1
170.99660	16.8
181.02829	29.0
184.02856	11.6
193.02875	21.8
193.08527	8.3
194.01216	7.1
200.02257	12.6
201.00755	6.9
207.04382	7.9
211.04012	10.0
212.02319	12.1
219.01657	34.5
237.02815	63.1
242.03297	100.0
243.95168	7.3
248.09387	8.8
251.16383	11.4
260.04431	70.9
283.05966	97.9
369.12057	10.2
386.51379	8.4
392.13873	76.3
410.14932	18.8
423.13193	12.7
437.14719	23.3
497.16794	35.2
515.17853	8.4
557.19159	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	557.2166
Annotation	Piperaduncin C
Peak:m/z	Relative Intensity
69.03401	30.0
79.71375	6.1
110.07402	5.4
128.50192	6.4
137.05966	47.2
141.90387	5.7
159.22260	5.6
198.18132	8.0
200.16579	6.5
241.08505	7.3
307.09537	13.3
336.69205	6.8
350.61081	6.6
465.68658	6.7
557.21600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80795	4.1
57.07040	5.8
71.01335	14.4
79.05489	10.7
91.05450	27.7
95.04967	7.8
105.03370	8.1
105.07005	6.3
107.04935	10.2
109.06507	9.1
119.04946	38.8
121.06553	7.2
123.04428	7.9
125.05928	8.3
129.66440	6.1
131.04919	15.4
135.04399	9.6
137.05962	71.8
139.04022	6.4
141.05470	7.4
147.04376	12.7
151.03908	100.0
151.05031	15.1
151.07574	25.5
161.05954	16.0
163.07550	9.0
165.05528	14.0
177.05350	5.4
179.06998	28.1
195.06529	36.9
205.08644	16.0
210.61833	5.8
254.79900	5.8
259.83527	5.7
283.09528	6.5
313.10605	7.5
370.03326	7.2
375.14215	6.5
396.65540	6.9
550.45380	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	557.2386
Annotation	pyrochlorophyllide
Peak:m/z	Relative Intensity
51.90386	6.9
55.49878	6.0
67.03499	6.2
70.65392	7.5
73.04337	7.1
88.23423	7.3
89.41814	8.4
95.04943	10.1
95.08601	9.1
105.07044	18.0
105.50767	7.0
107.04941	12.4
109.02892	14.0
112.51286	8.1
119.08594	9.5
123.04424	18.2
127.03905	55.5
139.03894	100.0
145.06485	9.0
145.10095	8.2
151.03853	44.8
155.03416	29.4
163.03799	16.9
172.15843	8.0
179.03375	39.4
263.05515	24.1
287.05502	34.9
291.41119	9.7
305.06448	14.1
313.14322	37.6
331.15378	39.9
371.18610	11.7
389.19559	31.6
490.34937	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	557.4716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57135	14.1
67.05491	65.0
69.07065	22.3
70.04489	16.6
76.65921	20.8
79.05470	47.9
81.07053	100.0
89.06035	22.6
91.05479	43.8
91.71075	40.7
91.96563	17.1
93.07047	81.0
95.08635	92.0
104.10694	22.2
105.07024	66.3
107.08585	51.6
109.10147	62.5
117.06967	25.0
119.08585	61.7
121.10133	62.7
123.11736	23.1
133.10149	46.0
135.11711	39.9
137.60074	22.2
145.10114	32.0
147.11700	39.6
149.13136	23.0
159.11699	41.4
161.13225	21.2
171.11772	25.5
173.13318	27.0
211.00743	20.5
462.83499	26.7
539.46497	22.9
557.46881	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23474	1.2
54.22697	1.3
54.99049	1.3
69.07021	1.8
70.40108	1.3
81.07071	1.9
85.02879	2.2
91.05467	7.1
92.63390	1.5
93.97128	1.4
94.04192	3.4
95.04971	2.6
96.32540	1.6
100.35719	1.5
119.04932	3.0
121.06506	1.7
122.03661	6.9
131.04941	4.9
131.08502	1.8
133.06483	2.5
137.05977	100.0
149.06010	3.7
151.07523	25.0
151.35674	1.6
161.05980	2.5
163.07526	11.4
167.08569	3.5
175.07545	2.0
177.09122	2.2
189.09096	3.1
189.75638	1.5
195.08073	4.8
203.10652	3.8
221.05954	2.8
225.09169	3.0
227.10707	2.9
253.08647	4.1
255.10172	3.6
285.11209	9.2
287.12695	15.2
313.14478	4.0
351.16116	3.7
475.21011	7.2
493.22141	7.3
495.32983	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	558.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04985	2.9
74.94405	0.8
76.42064	0.8
82.22749	0.8
85.02895	2.3
91.05466	1.9
91.71619	0.9
94.04174	2.5
100.98791	0.9
111.04436	1.2
115.05447	1.6
122.03637	4.0
129.07066	1.3
131.04893	2.0
131.08574	1.3
133.06567	1.1
133.10136	2.6
137.05969	100.0
140.20973	0.9
141.07005	1.4
143.04887	1.0
151.07571	2.1
153.02124	1.0
153.05482	1.3
157.06528	1.3
159.08102	1.6
161.05984	4.1
162.27739	0.9
165.07007	2.6
174.06750	2.6
175.07536	4.3
179.08549	1.0
181.06540	1.4
181.08568	1.8
182.07358	1.3
187.07607	1.6
189.09116	3.4
191.06960	1.1
191.08537	1.8
193.06529	3.9
197.09666	1.0
207.07973	1.2
210.06715	3.0
219.08057	2.3
219.10176	5.2
221.05911	5.8
222.06825	1.1
224.08559	1.1
225.09120	4.7
236.08238	1.1
238.06332	1.3
239.10567	1.7
247.07645	1.2
251.10651	2.7
252.07806	2.8
253.08633	4.9
265.08423	1.3
267.10138	7.3
279.10138	7.0
285.11194	20.7
290.39713	1.1
297.11215	2.0
299.12695	3.2
311.12750	19.1
329.13843	7.6
399.17972	8.3
403.45010	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52425	4.0
55.05489	6.3
56.80050	3.9
57.03406	3.9
67.05495	87.9
68.55401	4.1
69.07055	6.1
79.05486	33.1
81.07043	100.0
83.08592	12.2
85.02837	5.0
85.06527	10.5
91.05467	32.0
93.07034	51.8
95.08597	51.8
97.02866	7.4
105.07014	23.8
107.08560	28.5
109.10133	39.6
110.74628	6.0
117.07014	14.5
119.08585	22.7
119.34457	4.7
121.10137	31.5
123.11712	29.1
131.08557	24.3
133.10149	25.2
135.11664	28.2
137.13268	15.1
145.10136	16.9
147.11668	15.5
149.09619	11.4
149.13222	12.8
151.11162	6.8
159.11700	10.6
161.13274	9.2
163.11185	19.8
163.14780	6.5
165.12721	6.0
171.11771	7.2
173.13257	12.9
175.14813	8.2
177.12756	10.0
185.13263	5.9
187.14832	13.9
203.17975	9.8
269.22525	31.9
287.23618	9.8
379.28674	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.05503	9.1
57.07058	3.2
57.36525	2.8
61.02921	4.6
61.58316	2.6
65.03894	4.3
67.05495	92.9
69.07062	8.8
72.09346	2.5
73.02908	3.6
74.79263	2.4
79.05485	32.1
81.07045	100.0
83.08614	7.1
85.02895	6.1
85.06525	12.9
91.05481	33.2
93.07036	58.0
95.04951	9.0
95.08606	47.0
97.06532	4.6
105.07015	17.3
107.08591	24.4
109.06509	3.5
109.10143	30.3
111.08100	2.8
117.07029	13.4
119.08559	27.7
121.10143	37.3
123.11712	24.8
129.06984	4.7
131.08574	21.2
133.10129	30.4
135.11671	18.8
137.13271	8.3
138.96835	3.0
143.08537	6.2
145.10120	27.9
147.11729	16.3
149.09644	9.2
149.13228	8.0
151.11176	5.8
157.10132	7.2
159.11726	12.2
161.13159	4.5
163.11156	15.9
163.14841	6.0
165.12776	9.9
171.11691	6.7
173.13240	11.6
175.14798	7.0
177.12650	5.1
185.13242	11.0
187.14867	8.6
189.16393	7.0
191.14552	3.0
196.84241	3.1
199.14873	8.2
201.16426	5.9
203.17957	12.2
203.91129	2.9
209.36346	3.2
213.16356	4.9
248.39619	3.4
269.22617	28.2
287.23688	23.2
369.24802	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	559.206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59038	6.6
56.96558	14.9
75.24734	7.4
81.84837	6.4
83.62737	7.0
85.02937	7.2
88.73875	6.6
91.05459	16.2
93.07024	90.1
98.97588	33.3
116.98608	22.7
127.03262	17.4
128.98587	9.2
131.00166	8.0
134.99725	10.1
140.00212	20.6
146.99625	8.8
149.01138	7.4
149.45918	7.1
152.00122	8.7
158.01204	11.0
158.99666	14.6
170.01266	11.0
177.00671	10.8
181.02808	13.0
185.01254	13.3
200.02339	20.2
226.03867	36.6
260.04456	8.9
283.06076	15.6
305.05533	10.6
312.18088	7.8
346.08160	11.8
353.12695	12.2
371.13794	32.2
371.28293	9.3
394.15378	100.0
439.16409	12.2
499.18402	36.1
504.20377	12.0
517.19623	15.3
559.02466	9.7
559.20728	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2324
Annotation	Cassumunarin A
Peak:m/z	Relative Intensity
57.83485	3.7
63.04398	3.0
67.35728	3.0
91.05460	7.1
94.04169	4.9
103.05457	10.1
110.54214	3.4
122.03645	11.7
131.04942	16.3
137.05971	100.0
137.06947	6.6
145.06511	4.4
151.07503	5.9
163.07527	5.5
175.07533	6.0
187.07639	5.6
201.01642	4.8
275.59995	4.3
277.08792	5.0
299.32211	4.7
319.09811	5.6
323.12866	6.9
398.83777	4.3
435.18301	6.4
511.20715	6.6
523.20569	4.6
541.22797	9.8
559.23138	46.4
566.46973	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	559.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
67.59346	1.5
69.03408	4.9
70.06587	1.8
71.04984	12.8
72.08147	13.9
80.04975	2.2
80.10976	2.1
81.03408	7.1
83.01308	2.8
83.04991	2.1
84.04495	11.4
88.07613	2.1
93.11994	1.8
96.04479	70.9
97.02885	7.2
98.06050	12.9
99.04457	5.3
101.02364	1.8
109.02868	8.8
116.07089	2.6
118.08670	5.2
124.27404	1.9
126.05505	92.9
144.06557	100.0
154.08562	3.5
166.08621	70.1
196.09662	22.4
214.10728	47.4
232.11784	45.9
395.63834	2.1
402.79520	2.0
485.00424	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	559.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.5
55.01864	1.9
55.05500	1.6
56.05025	1.7
66.63598	0.9
68.04994	1.8
69.03413	4.8
70.06583	2.6
71.04987	15.3
72.04492	2.8
72.08150	16.2
79.05484	1.1
80.05006	2.3
81.03415	6.9
81.07072	1.2
83.01309	1.0
83.04989	2.8
83.08633	1.0
84.04485	15.4
88.07617	2.6
91.02426	1.0
91.70992	1.8
95.43018	1.0
96.04485	67.2
97.02885	7.4
98.02417	1.5
98.06041	12.6
99.04455	6.0
101.02389	1.3
108.04516	1.1
109.02888	9.1
113.27989	1.0
114.05484	1.8
116.07092	1.5
118.08666	6.6
126.05511	100.0
127.03924	2.8
144.06552	97.3
154.08611	3.5
166.08629	71.0
196.09705	21.5
214.09068	1.0
214.10738	43.1
232.11774	46.7
300.96155	1.3
303.93826	1.1
326.75681	1.3
349.76102	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	559.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
65.34250	1.3
77.29644	1.4
81.91489	1.5
86.29736	1.5
100.26440	1.6
105.79993	1.5
128.78568	1.5
138.56763	1.7
146.66539	1.7
231.99782	1.6
488.00766	1.8
519.71503	1.8
559.41766	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67504	2.2
59.34597	2.7
64.08719	2.4
72.24995	3.2
72.78735	3.0
73.88751	2.7
80.77167	2.4
100.63274	3.1
120.92954	3.3
126.79720	2.9
268.83121	3.9
559.41772	100.0
586.25726	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	559.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60336	10.7
53.06867	11.9
53.27160	10.3
54.26368	9.7
55.05499	52.1
57.07057	16.7
57.32941	13.0
66.31521	9.9
67.05489	34.9
69.07058	79.1
69.40560	13.4
81.07048	91.7
82.04266	11.2
83.08594	61.4
84.26469	10.8
91.05493	21.8
91.71014	26.5
93.07017	34.7
95.08612	80.6
97.10164	75.9
105.07052	16.2
107.08588	17.8
109.10157	41.8
110.24273	12.0
119.08550	19.1
121.10159	37.5
133.10103	25.8
135.11739	38.9
139.11201	12.9
151.11150	14.5
151.14816	18.2
156.81636	13.3
161.13255	17.1
217.19577	35.0
235.20512	75.6
246.34023	13.8
253.21527	100.0
271.22528	61.2
565.87329	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	560.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17023	3.4
55.05491	15.5
57.03420	7.0
57.07080	19.5
67.05496	85.6
68.30540	3.1
69.07067	30.0
71.08614	13.5
75.01237	3.6
79.05473	43.0
81.06596	7.7
81.07047	100.0
83.08609	18.1
85.02888	9.2
85.06554	18.7
85.10193	4.8
91.05488	34.1
91.71664	4.5
93.07035	56.6
95.04954	6.2
95.08598	83.5
96.62048	3.7
97.06523	12.8
97.10173	9.6
97.80465	3.6
105.07005	26.7
107.08591	39.2
109.06490	5.7
109.10154	33.4
111.08105	4.3
117.07005	14.7
117.22364	3.7
119.08556	26.3
121.10130	66.2
121.93337	3.4
123.08054	4.2
123.11716	14.2
125.09628	4.1
128.93903	3.8
129.05502	4.2
131.08536	32.4
133.10091	23.1
135.08028	6.4
135.11694	33.7
137.09621	6.4
137.13274	7.5
145.10085	29.5
147.11678	15.2
149.09544	4.9
149.13231	9.0
151.11183	10.9
151.14799	5.5
159.11678	14.6
161.13220	10.8
163.11229	6.7
163.14824	4.4
173.13214	20.8
174.47408	5.0
175.14857	10.9
177.12746	7.1
177.16380	5.5
183.64899	4.2
187.14838	13.1
189.16399	11.8
191.14252	4.3
191.17873	8.5
201.16385	3.9
205.19490	14.0
256.76102	5.2
271.24191	68.9
289.25217	48.8
289.28033	5.4
304.26501	4.4
363.28925	19.6
381.30173	10.0
419.43320	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	560.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25671	15.7
56.87052	15.2
57.07074	37.8
59.19556	15.7
59.51530	15.6
59.86100	17.0
63.37338	16.6
67.05491	100.0
69.07057	32.4
71.08620	25.9
73.63451	16.7
79.05495	41.1
81.07066	89.4
85.06513	20.8
91.05507	32.7
93.07061	64.9
95.08651	83.8
105.07052	27.0
107.08586	28.3
109.10170	44.0
114.85707	20.9
121.10178	40.9
131.08589	27.9
131.95609	24.2
133.10164	26.0
133.18134	19.0
135.11740	30.8
145.10223	50.6
151.11234	22.8
159.11732	41.4
197.95755	22.1
201.83682	20.7
205.19525	23.5
259.47607	21.9
269.26498	21.4
271.24258	70.2
274.99640	20.9
289.25424	78.8
295.78775	22.4
315.91736	24.8
333.23343	22.1
345.08615	21.7
354.00662	21.1
422.39752	24.6
543.73193	24.4
575.42328	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55681	2.8
55.01857	10.7
55.05494	18.2
57.07064	11.8
64.67313	3.4
67.05492	42.8
69.03414	6.1
69.07063	26.8
71.04974	4.6
71.08617	8.6
73.06563	3.9
74.39271	4.5
79.05490	24.4
81.03397	6.2
81.07043	34.8
83.04974	18.3
83.08595	6.1
84.55528	3.8
85.06516	5.9
91.01765	3.6
91.05479	24.1
93.07025	50.7
95.04963	13.0
95.08593	53.5
97.06522	8.8
97.10175	8.7
105.07039	17.1
107.08596	18.6
109.06547	5.3
109.10128	20.7
114.84799	4.1
119.08575	18.8
119.68571	4.3
121.10148	19.3
123.08054	6.3
123.11686	10.2
133.10164	6.9
135.11691	7.7
137.09616	32.7
139.11151	9.2
147.11673	7.3
149.13213	6.4
151.11098	5.2
161.13240	6.6
165.09171	6.4
165.12770	6.6
168.19931	4.5
177.95274	4.2
179.14172	6.2
181.12219	11.3
181.31139	5.0
193.33987	5.2
231.21077	6.6
249.22174	17.7
259.20676	5.9
261.26004	4.4
277.21609	86.8
295.22601	100.0
328.54526	4.4
555.85150	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	560.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55681	2.8
55.01857	10.7
55.05494	18.2
57.07064	11.8
64.67313	3.4
67.05492	42.8
69.03414	6.1
69.07063	26.8
71.04974	4.6
71.08617	8.6
73.06563	3.9
74.39271	4.5
79.05490	24.4
81.03397	6.2
81.07043	34.8
83.04974	18.3
83.08595	6.1
84.55528	3.8
85.06516	5.9
91.01765	3.6
91.05479	24.1
93.07025	50.7
95.04963	13.0
95.08593	53.5
97.06522	8.8
97.10175	8.7
105.07039	17.1
107.08596	18.6
109.06547	5.3
109.10128	20.7
114.84799	4.1
119.08575	18.8
119.68571	4.3
121.10148	19.3
123.08054	6.3
123.11686	10.2
133.10164	6.9
135.11691	7.7
137.09616	32.7
139.11151	9.2
147.11673	7.3
149.13213	6.4
151.11098	5.2
161.13240	6.6
165.09171	6.4
165.12770	6.6
168.19931	4.5
177.95274	4.2
179.14172	6.2
181.12219	11.3
181.31139	5.0
193.33987	5.2
231.21077	6.6
249.22174	17.7
259.20676	5.9
261.26004	4.4
277.21609	86.8
295.22601	100.0
328.54526	4.4
555.85150	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	561.194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21367	1.4
51.97079	1.4
63.22395	1.6
63.71991	1.3
64.84025	1.4
70.52215	1.6
70.52642	1.5
77.16255	1.7
91.59969	1.6
117.73616	1.8
119.26488	1.8
168.13319	1.7
172.22000	1.8
212.43076	1.6
213.02280	1.9
213.82434	1.9
218.70706	1.9
222.08429	1.9
226.76602	1.8
258.07077	2.0
258.70749	2.0
323.12207	1.9
331.31360	1.8
381.11652	3.6
561.19397	100.0
562.19324	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	561.1941
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
52.32184	4.1
52.45444	5.1
54.18984	4.4
61.89294	4.4
104.25429	4.8
117.05279	5.8
136.66464	5.9
157.72136	6.4
201.15256	7.0
226.98579	6.4
233.80856	7.9
356.21506	6.5
500.81223	6.5
561.19452	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1944
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
70.06582	4.5
72.08138	2.3
77.74579	2.2
82.68833	2.1
84.08129	4.0
86.09671	5.4
100.96114	2.0
123.04438	2.9
194.93820	2.7
202.06110	5.6
205.56799	2.6
245.00380	2.7
289.42722	2.8
336.85916	3.0
351.10437	3.4
399.14362	7.5
405.85837	2.6
561.19409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43975	2.5
56.66198	2.7
67.66555	3.2
73.30935	2.9
75.93285	3.1
112.42471	3.5
122.09064	3.8
149.35437	3.8
195.72342	3.8
217.68007	4.5
244.08250	4.4
363.09131	5.3
405.10049	8.6
449.09030	5.3
517.22589	31.1
561.21503	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	561.215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94536	2.8
68.96262	2.9
77.50451	2.9
84.04475	5.2
86.09695	6.1
91.08850	3.2
102.91256	2.9
135.39011	3.3
160.61102	3.4
180.49173	3.3
248.86482	3.8
258.58905	3.6
267.23627	3.4
279.79977	3.6
293.45624	3.5
313.16104	9.9
475.21371	5.8
517.22516	29.1
561.21472	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23787	2.2
70.85806	2.9
73.52011	2.8
78.55305	2.5
85.85171	2.7
91.71024	3.2
95.14047	4.0
143.28784	2.7
215.26128	3.4
236.87170	3.3
361.73569	3.4
367.24622	10.1
412.36124	3.6
508.79532	3.5
509.44867	3.9
561.30304	100.0
576.83813	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	561.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71195	2.9
60.24306	3.0
62.18304	3.0
71.58714	3.1
97.18380	3.4
105.31423	3.6
152.66975	3.7
154.17479	3.8
195.83498	4.7
205.37129	4.7
224.97325	4.5
367.24634	13.6
398.30276	5.2
561.30334	100.0
562.35266	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	561.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	3.6
60.04527	6.5
69.03424	1.3
69.07065	9.2
70.06582	3.0
72.08147	2.3
74.06068	16.0
74.53694	1.3
83.12551	1.2
84.04501	18.0
84.08133	1.5
84.86530	1.2
85.02908	1.5
86.09698	100.0
87.05573	6.1
87.06058	1.3
101.07164	3.1
105.06657	1.6
110.07149	1.8
111.04470	1.9
124.24845	1.2
128.10710	5.2
130.05002	26.5
142.12276	2.2
147.07642	30.3
170.04462	6.5
171.07657	1.9
173.12843	38.1
187.14384	1.5
201.12352	13.4
213.08789	1.9
215.13898	6.6
230.11226	2.7
231.09711	2.3
248.12376	46.2
314.20798	3.8
343.19678	3.2
361.20728	7.2
366.87430	1.6
397.24765	1.7
415.25427	4.5
543.31500	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	561.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65016	6.6
78.28370	8.5
91.71649	14.8
110.99890	7.6
192.31674	9.1
271.79388	8.6
343.82248	9.3
561.37762	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
66.33195	5.2
77.68787	4.5
91.71629	10.0
110.35161	5.4
136.25316	5.9
141.73212	5.6
191.79831	5.2
212.63443	6.2
225.59280	6.7
236.04698	6.3
391.39816	7.1
509.84393	6.0
561.41327	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71716	2.9
67.05504	3.4
67.80463	3.0
69.03405	12.0
79.79472	3.1
81.03404	4.9
81.07032	4.0
82.73039	3.2
85.02891	100.0
91.05455	5.0
95.08585	5.0
97.02866	18.0
98.82270	3.1
99.04392	4.0
105.07022	48.8
109.02877	5.5
119.08561	59.6
120.12635	3.1
127.03887	26.3
133.10150	10.6
137.05919	7.9
145.04953	41.4
147.11697	7.5
154.95877	3.6
163.05956	16.1
166.04794	3.9
180.98062	3.3
185.42880	3.1
188.13522	3.4
203.17952	12.1
204.08681	6.3
255.92601	3.7
325.11139	13.1
408.87540	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	562.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32429	5.5
55.05489	23.8
62.89912	5.7
67.05500	29.6
69.03407	7.5
69.07046	17.8
71.01374	5.3
79.05478	11.4
81.03407	9.0
81.07034	16.6
90.61460	6.2
91.05456	16.1
91.71651	6.1
93.07038	7.5
95.04963	7.1
95.08585	12.4
97.02875	8.6
97.10172	14.1
105.07030	12.5
107.08609	12.1
109.02835	7.1
109.10134	8.7
113.76714	5.8
119.08562	11.2
121.10166	8.0
145.10120	6.4
147.04431	25.2
147.08125	8.6
177.05531	5.7
223.13257	8.4
237.21638	5.9
273.18576	10.5
291.19534	100.0
333.71817	7.1
341.86758	6.5
365.23160	40.0
398.25143	14.2
465.78043	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	562.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78177	3.1
52.26797	3.8
53.70184	3.7
55.39336	3.6
67.05467	5.3
69.07069	4.7
73.04754	4.6
77.00599	12.3
81.07048	5.6
89.06020	9.5
91.05804	7.1
93.07017	5.0
95.01627	56.3
102.03721	6.1
103.86254	4.1
105.47115	5.1
114.07352	28.2
117.07327	4.6
118.03202	100.0
119.01650	6.0
121.03156	6.1
129.80280	5.1
144.04770	10.7
145.00075	5.0
145.06793	38.6
147.04718	80.2
165.05775	6.5
188.07367	8.7
189.09424	15.9
191.07404	14.5
192.94676	5.9
235.09851	6.1
319.63626	5.1
365.20126	7.5
562.40167	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	563.225
Annotation	ES-242-8
Peak:m/z	Relative Intensity
55.25998	1.4
61.02825	1.7
71.87637	1.9
73.61758	1.8
74.62660	2.1
83.07342	1.9
91.71748	2.2
92.11072	1.8
184.02327	2.2
225.00827	2.5
494.12045	2.3
494.19434	3.5
563.22498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.9
57.07041	4.5
57.54940	3.9
66.49111	4.2
68.86886	3.9
74.87259	3.9
75.80486	3.9
79.05444	6.0
81.07054	6.4
83.04960	4.8
91.05457	7.9
93.07042	5.4
95.04964	5.0
99.99647	5.5
103.05445	18.2
105.03418	5.5
106.04150	10.7
121.06438	7.0
131.04926	20.6
135.04356	6.1
137.05948	6.3
142.17664	5.0
147.04413	6.9
149.06032	16.1
167.07089	4.7
177.05440	100.0
182.58028	5.2
189.05423	8.3
191.10699	29.5
199.66289	6.1
202.61636	4.8
208.68086	4.8
219.06660	7.5
311.56912	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	563.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47447	4.3
66.02558	3.9
67.05483	9.2
68.54971	3.8
72.11681	3.9
81.07034	5.7
84.04465	5.6
85.61275	4.3
92.62778	4.6
93.24618	4.3
93.92360	5.0
110.27296	5.4
112.30056	4.7
116.07095	6.2
160.02206	4.9
170.74973	6.2
193.78145	4.8
236.02434	4.9
236.78415	4.8
550.01837	5.6
563.31763	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48197	4.2
91.71067	10.2
102.81468	6.1
110.21571	5.4
144.21620	7.5
174.07947	6.0
180.92621	6.7
223.67773	8.3
241.67584	6.8
248.79727	7.2
364.88956	6.6
460.93826	7.5
517.77557	7.6
563.31830	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	4.8
55.05512	27.5
57.03429	4.6
57.07069	68.7
63.76962	3.1
67.05495	98.5
67.13995	3.7
69.07067	28.4
71.04970	4.2
71.08620	43.6
79.05492	33.7
81.06595	7.3
81.07050	100.0
83.08604	24.3
85.06518	4.5
85.10189	25.1
91.04951	5.7
91.05453	25.3
93.07040	45.3
95.04953	4.5
95.08600	93.0
97.06519	5.1
97.10169	13.2
98.41026	3.7
103.30477	3.6
105.06993	9.1
106.13673	4.2
107.08607	19.7
109.10154	45.3
117.59641	3.8
119.08596	9.9
121.10132	26.3
123.11731	15.3
131.08543	10.1
133.10136	18.5
135.11699	16.2
135.45973	4.0
137.13223	5.6
159.11690	5.9
200.14717	4.5
233.18968	5.6
239.23575	6.6
247.93991	4.6
249.60747	4.4
252.14140	5.3
307.22760	15.9
313.27438	24.5
545.45880	5.8
563.46796	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	9.9
57.12930	7.3
61.78458	6.8
62.76261	10.6
67.05489	42.4
69.07047	23.3
69.99536	8.9
79.05473	22.5
81.07049	100.0
83.08620	16.1
84.52969	8.8
91.05448	24.6
91.67753	9.2
93.07027	26.7
95.04968	13.3
95.08585	34.2
103.30247	9.4
105.07021	30.7
107.04974	11.5
107.08602	18.2
109.06524	27.3
109.10163	15.4
119.08595	20.8
121.10131	15.4
123.11713	9.5
127.03956	12.0
131.08586	13.1
143.38548	10.1
147.11696	14.6
149.09660	11.9
149.13356	11.1
253.23393	10.9
275.20099	41.1
293.21149	22.6
349.23654	46.5
367.24905	55.6
437.25778	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	564.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08905	8.3
54.75562	7.7
55.05509	18.9
57.03439	26.7
67.05500	78.2
67.07315	9.7
69.03431	16.9
69.07069	32.0
70.42125	8.5
79.05515	36.4
79.48737	8.5
81.03432	19.4
81.07053	94.0
83.04998	19.2
83.08639	20.9
83.70775	9.8
85.02905	12.1
91.05505	46.0
91.70921	14.4
93.07011	58.2
95.04981	21.7
95.08628	29.3
97.06557	18.2
97.10203	10.0
104.40575	10.6
105.07077	32.2
107.08627	34.6
117.07092	17.4
117.76776	10.2
119.08637	13.9
120.09093	9.9
121.10185	18.2
131.08563	16.0
133.10185	29.7
135.11726	20.8
145.10210	14.0
149.13326	14.1
159.11710	25.1
177.12747	24.9
227.61012	10.2
233.60173	10.8
244.26610	11.3
255.16003	25.8
269.17453	100.0
275.20142	17.3
349.24011	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	564.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12286	4.4
55.33074	4.6
55.36425	4.1
56.28671	4.8
60.14444	4.9
63.61933	5.5
70.06596	11.0
70.75396	5.1
71.04985	7.3
73.65295	4.9
84.95644	6.4
85.02906	9.0
85.74952	5.4
87.04478	15.5
89.06027	100.0
89.06537	7.4
91.71571	10.3
110.07130	6.7
130.08632	27.8
133.08588	72.5
177.11324	23.1
224.11349	5.8
274.16315	5.8
281.13882	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	565.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57673	1.1
53.83852	1.1
74.02411	1.8
76.01764	1.3
87.53693	1.4
91.05456	1.8
92.86242	1.4
101.30449	1.3
115.05465	1.6
118.06529	23.3
130.06491	1.4
132.08090	3.9
142.06520	2.0
143.07292	2.7
144.08070	13.9
146.06004	65.6
159.09189	5.3
170.06029	4.2
188.07059	100.0
205.09720	39.2
215.04216	1.5
258.55325	1.5
308.45663	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	565.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06313	5.1
52.43041	5.0
57.20261	5.2
91.71011	7.1
91.76128	6.5
292.81860	7.2
565.33350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66571	1.5
54.54145	1.4
63.61581	1.7
67.05482	1.5
71.18100	1.7
72.89150	1.8
87.66854	1.7
91.71651	3.3
92.42105	1.9
95.66254	1.7
97.72139	1.9
116.65711	2.2
220.43323	2.0
274.82169	2.8
280.82236	2.3
317.20822	100.0
337.97244	2.2
365.40714	2.6
432.32983	2.1
501.84937	2.4
565.34943	20.5
570.89624	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82905	1.7
52.85619	1.7
53.66841	1.6
57.01399	1.9
76.87072	2.0
102.70603	2.1
122.03926	1.9
219.14371	2.0
243.02823	2.3
317.20847	100.0
318.21127	2.5
328.04257	2.3
352.30008	2.5
565.34979	19.9
566.35150	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	565.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19685	6.6
55.05501	13.4
55.96450	6.4
57.07061	12.9
67.05488	42.9
69.03427	11.7
69.07060	25.0
79.05473	20.0
81.07053	46.4
83.04969	8.7
83.08637	10.6
85.80579	7.8
91.05450	53.3
93.07055	65.1
95.04963	25.5
95.08598	48.6
105.07023	100.0
107.08582	48.7
109.06530	12.5
109.10165	33.6
117.07027	27.2
117.75749	8.5
119.08577	90.6
121.10142	59.6
123.08009	12.0
123.11739	18.9
125.06033	12.2
128.06197	13.0
129.06999	21.5
130.07805	12.1
131.08601	54.5
133.10100	58.4
135.08122	20.5
135.11717	29.0
137.09584	11.8
141.06990	15.2
142.07768	23.7
143.08571	29.7
145.10130	59.4
147.08081	22.8
147.11717	15.0
151.07536	15.0
155.08546	21.3
156.09331	20.7
157.10143	62.4
158.10902	11.9
159.11679	24.1
161.13234	11.1
165.06953	8.9
165.09106	22.2
169.10141	30.5
170.10910	14.3
171.11728	33.4
173.13254	26.6
179.08575	13.2
181.10054	12.8
181.12225	13.8
182.10822	9.7
183.11702	24.5
185.13295	36.2
192.09325	10.5
193.10222	17.5
194.10997	13.1
195.11674	18.0
196.12602	10.9
197.13199	14.3
199.14833	14.6
206.11000	16.2
207.11658	26.5
208.12393	13.9
209.13286	23.8
211.14667	12.0
213.16379	8.6
220.12480	10.1
221.13284	25.3
221.15387	41.2
229.48822	8.9
233.13109	14.8
235.14790	13.0
237.16563	13.7
239.17862	13.8
259.14862	12.7
263.18008	15.7
275.17862	10.5
277.19562	12.3
362.56592	9.2
473.34122	17.5
558.23236	10.0
565.40442	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.2
57.03420	1.8
57.07047	1.3
61.02919	0.8
63.16295	0.7
63.46403	0.8
65.85480	0.8
67.05491	2.9
69.03421	5.4
69.07049	2.9
71.04982	11.1
71.08559	0.9
75.04501	0.8
79.05467	3.8
81.03412	4.3
81.07047	100.0
83.04967	4.2
85.02897	19.0
87.00809	3.3
95.04971	1.2
95.08593	14.0
97.02876	3.5
99.04452	1.1
102.16792	0.8
105.01875	5.8
109.02866	4.4
109.06550	0.8
111.04446	3.3
127.03938	7.4
129.05490	4.2
129.65480	0.9
133.11142	0.8
136.94518	0.9
137.13246	17.6
145.04956	2.1
147.06522	1.1
154.15921	1.0
189.04013	1.7
213.03882	1.4
231.04930	2.2
237.07559	1.8
249.06044	1.2
253.64835	1.0
255.08713	1.7
297.03992	1.1
359.09390	1.1
437.55081	1.2
546.22845	1.2
589.43494	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58389	1.1
57.07055	4.7
58.19404	1.1
63.20495	1.0
67.05503	1.7
68.05023	1.6
69.03415	14.5
70.06583	1.3
73.14593	1.3
80.05006	2.1
85.05918	1.0
85.06516	2.0
86.06058	2.0
87.04453	14.4
91.05465	1.9
91.71049	2.2
95.04964	2.4
96.04482	10.2
98.06033	6.0
108.08117	4.5
109.05228	2.0
110.06072	1.6
122.06028	4.2
136.07570	18.5
137.09633	3.1
138.05486	6.9
156.06538	5.0
156.95029	2.0
157.75311	1.5
164.07045	62.1
165.88283	1.3
173.05923	1.4
177.34183	1.3
182.08095	27.4
187.11205	2.7
227.14247	1.7
229.12245	4.1
248.12741	3.2
332.18512	100.0
333.18600	2.2
395.25708	3.2
566.35675	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66177	0.5
63.86931	0.6
71.64267	0.6
77.52898	0.6
78.28761	0.6
79.69405	0.6
84.51549	0.7
86.09697	100.0
154.15900	7.9
170.78784	0.7
199.18042	21.1
227.17514	20.7
267.24307	3.8
280.36362	0.7
295.23785	4.0
309.01129	0.8
322.24844	0.9
340.25931	15.5
408.32010	3.1
425.34958	2.8
453.34232	7.7
481.33987	0.9
521.41034	1.4
538.43304	2.9
566.42938	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	567.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75803	7.0
55.93508	8.9
69.83254	6.6
71.51300	5.9
72.93774	9.1
96.38780	7.9
98.15495	8.3
107.04942	100.0
112.82505	6.6
113.96387	18.5
124.20242	7.4
130.86461	7.1
144.95822	14.4
154.98969	16.7
164.99930	11.6
167.97394	9.1
178.97908	10.9
180.99463	24.1
194.97366	11.9
204.01186	9.5
208.98976	29.2
220.00584	14.1
222.02142	14.8
245.03741	12.3
250.01634	12.2
262.01553	17.8
266.99435	13.5
285.00491	9.4
290.01016	19.5
325.00137	12.8
331.03784	30.5
352.01059	18.6
366.02606	12.0
443.03897	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	567.1284
Annotation	4',4'''-Di-O-methylcupressuflavone
Peak:m/z	Relative Intensity
54.41940	1.9
55.14675	1.9
60.22097	2.1
60.76863	2.2
65.03923	5.4
67.05486	7.6
68.54062	2.4
70.06577	10.0
79.05456	3.0
81.07035	7.8
82.06579	2.2
91.05510	3.3
105.07040	3.1
108.08137	4.1
110.09640	3.4
111.04452	5.9
119.04934	3.8
120.08147	2.9
121.02863	60.9
137.05968	10.9
146.55554	3.2
147.04405	13.1
167.03413	7.7
195.76701	2.6
196.63467	3.1
209.98549	2.6
211.22853	3.0
257.16284	2.9
304.26279	9.4
305.26770	3.6
311.08975	3.0
384.32413	5.3
401.10181	4.6
402.33514	7.1
403.33972	5.6
416.05255	4.3
417.06091	6.2
431.07529	7.9
449.09213	3.5
535.09979	11.0
548.37183	3.5
566.38403	22.5
567.12811	100.0
567.38666	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	567.1286
Annotation	ISOGINKGETIN
Peak:m/z	Relative Intensity
59.10861	0.7
60.99381	1.6
67.01859	1.1
67.05501	1.0
68.99784	1.3
70.06593	0.9
78.80789	0.8
79.05492	1.3
81.07039	1.5
84.67502	0.8
91.05462	1.0
91.71124	0.9
92.02619	1.0
95.04949	4.3
95.31386	0.7
99.99429	0.9
114.08710	0.8
119.04962	1.7
121.02892	8.9
121.03836	1.2
125.05980	2.9
133.06471	1.7
135.04414	68.9
144.35469	0.9
145.06438	0.8
147.04422	2.7
153.01857	9.6
159.04457	1.2
173.81502	0.9
248.31961	1.1
283.06046	3.7
292.15479	0.8
297.07367	1.7
327.90976	1.0
340.59402	0.9
389.06561	1.2
402.33545	1.6
403.04306	1.6
403.34140	1.2
415.11612	4.3
417.05984	4.9
435.07309	2.9
515.13464	1.9
521.08765	1.8
535.10254	6.6
566.38147	3.5
567.12823	100.0
567.38513	3.0
568.12848	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	567.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45229	2.4
55.01852	3.3
55.42878	2.7
58.96352	2.4
78.04709	3.3
79.05489	4.1
81.03408	2.4
89.03922	3.6
91.05476	8.0
91.71051	3.2
95.04973	6.3
103.05476	27.1
105.03370	7.8
105.07026	10.6
106.04174	35.1
107.04940	9.7
115.05447	5.1
117.03368	8.1
118.04156	6.6
119.04912	4.1
121.06509	10.4
123.04465	3.7
131.04893	25.0
133.02884	6.5
133.06491	22.8
135.04419	8.0
137.06006	11.1
138.03156	4.0
144.24242	3.2
146.03633	17.5
147.04414	17.4
149.02344	9.2
149.05968	52.0
151.03920	8.6
153.05518	16.3
159.04489	3.5
160.89522	3.1
161.05978	18.6
162.06758	3.2
163.03918	6.5
165.05501	8.3
171.04449	4.1
175.07437	3.1
177.05461	100.0
178.06242	28.5
179.03442	5.5
179.07091	11.7
181.04944	4.0
189.05486	18.6
191.06996	4.3
193.04979	6.1
196.07292	5.0
209.04478	8.8
211.06052	4.0
215.07011	8.5
219.06467	15.4
231.66280	3.1
285.23639	3.1
339.08234	4.0
341.10376	4.3
353.10208	11.2
387.10632	3.7
495.85532	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	567.186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.0
63.06349	3.4
69.83040	3.7
78.04690	5.9
79.05488	5.5
81.07062	6.1
89.03902	3.7
90.05772	3.3
91.05479	18.2
95.04964	8.9
102.35909	3.9
103.05468	23.7
105.03369	12.1
105.07006	11.1
106.04173	37.1
107.04949	7.4
115.05446	6.3
116.85138	5.0
117.03394	9.7
118.04180	5.2
119.04957	4.9
121.06499	14.6
123.04327	3.7
131.04929	19.8
132.05786	5.8
133.02821	4.9
133.06493	22.5
135.04413	7.8
137.05978	10.4
138.54727	3.8
146.03658	17.6
147.04424	11.3
149.05966	71.3
151.03871	7.9
153.05453	20.4
161.05972	22.3
162.06769	5.9
163.03918	12.3
165.05513	9.2
167.07043	5.2
177.05466	100.0
178.06261	20.4
179.07019	6.2
181.05008	7.1
189.05493	24.3
193.04994	7.5
209.04410	8.5
215.07039	5.4
219.06589	13.6
293.07999	6.9
317.34894	4.9
335.91293	4.6
353.10153	8.8
357.09457	5.7
372.11960	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42601	3.0
63.54120	3.3
74.14269	3.9
82.88551	4.1
86.13569	3.8
91.05514	12.1
95.11899	3.5
95.69965	3.7
103.05454	30.0
105.07028	5.0
107.04993	5.7
115.05579	4.5
116.67818	4.3
119.05004	5.0
121.06475	4.0
121.46880	4.0
124.05219	6.8
131.04913	100.0
133.02881	6.8
137.05972	23.2
139.42059	4.3
147.04460	13.1
149.05980	6.6
153.05522	4.8
162.06783	6.2
163.03992	7.5
163.07526	60.0
165.05515	13.7
168.79807	4.5
177.05463	11.3
193.05066	5.4
205.05083	7.8
207.06544	4.3
219.06636	5.9
227.85989	6.2
235.06111	5.0
365.10519	8.4
369.09988	5.3
548.14789	5.3
548.51398	4.7
549.60376	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	567.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80069	4.9
53.61984	4.8
65.04723	5.4
67.79535	5.2
68.31089	5.0
73.01077	5.3
74.77451	6.8
76.61720	5.0
91.71103	5.8
91.71581	6.4
95.89812	5.1
100.27744	5.5
110.95148	5.5
177.72110	6.0
235.71042	7.5
378.24017	8.0
567.27844	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
78.46659	9.9
90.20320	10.1
105.65794	8.5
139.78961	10.5
149.82062	9.1
150.97144	11.6
180.73665	10.1
273.14578	15.6
293.31876	10.4
317.20761	78.5
400.89114	11.6
433.02222	14.2
509.31940	14.4
537.39886	13.3
567.36554	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	3.9
70.01432	3.1
91.05457	5.4
94.15674	2.7
95.04941	4.8
103.05434	4.8
105.07085	3.9
107.04944	100.0
109.06571	2.9
119.04902	4.5
121.02893	3.6
121.06495	24.1
122.03663	5.6
131.04893	7.7
132.54834	2.8
137.05971	48.9
151.07520	11.1
155.08585	4.6
171.08009	5.1
175.07599	3.4
187.07500	4.7
189.09160	4.2
195.08090	4.0
201.09114	5.3
201.62112	3.8
202.07838	3.1
203.10704	3.7
213.09178	7.1
229.08624	10.7
231.08095	4.4
231.10164	6.0
232.08781	7.3
244.08807	4.2
245.09428	3.8
247.11226	12.1
249.12952	4.8
259.11179	7.3
261.08859	4.6
273.09222	5.3
274.09711	4.3
275.10593	5.0
287.10727	4.8
291.10074	5.9
305.11771	10.0
317.12256	4.3
319.13297	4.3
337.14224	62.3
339.15933	5.7
367.15356	93.2
443.18658	5.9
461.19635	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	568.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76840	4.7
53.03957	5.1
55.05500	18.1
60.08152	20.2
67.05497	35.4
69.03400	15.6
69.07053	8.4
70.06546	6.2
71.04993	5.9
79.05491	20.1
81.03397	8.9
81.07048	44.9
83.08623	39.6
85.02897	15.0
86.09695	16.6
87.04437	8.8
91.05486	24.3
93.07048	30.0
95.04939	7.9
95.08602	37.5
96.00060	5.7
97.02882	8.5
97.10184	6.1
104.10743	17.3
105.01886	5.7
107.08588	15.0
109.10152	19.5
111.08088	23.6
119.08587	27.4
121.10167	28.8
123.08054	16.5
125.00018	6.3
126.02513	12.9
127.03198	50.7
135.08153	7.0
135.11787	7.2
137.09648	13.1
145.04326	17.2
147.11722	13.0
184.07280	18.1
185.09805	16.5
203.17995	14.8
217.18137	7.1
219.08047	12.0
231.17502	8.8
239.19939	7.2
245.18796	6.6
249.18542	20.9
267.19507	100.0
285.20538	37.7
303.21634	52.2
364.05453	6.9
524.31531	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07202	6.4
57.07080	6.7
63.67889	5.1
65.02848	5.1
67.05501	9.5
69.03413	20.3
70.02945	14.9
77.85779	5.8
78.08704	6.4
78.70882	6.2
79.29999	5.7
88.03992	22.1
95.45790	6.1
110.06028	18.3
110.50871	6.1
113.18525	6.3
116.03455	37.0
119.06418	5.9
122.62477	7.0
124.96491	6.2
135.75040	6.3
138.05502	26.1
170.12764	7.0
184.06055	50.4
192.25084	6.8
334.16418	100.0
401.21109	7.1
542.95526	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	568.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	62.2
56.79432	38.4
67.05507	54.6
69.03455	56.2
69.07063	68.6
70.87817	34.6
71.25945	39.8
73.62318	35.3
77.48368	34.1
81.07070	100.0
85.02924	41.3
87.25111	37.7
93.07092	77.3
93.88305	40.5
95.08625	62.0
97.77925	36.8
119.93191	44.3
121.10179	65.9
133.03607	41.4
156.90390	40.2
162.44951	44.0
197.11278	43.0
234.45183	50.7
268.79309	43.6
293.00400	47.4
485.28949	51.2
528.83960	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	569.1078
Annotation	Ridiculuflavone D
Peak:m/z	Relative Intensity
55.51139	1.9
65.03955	2.4
68.41521	1.7
72.61842	1.7
91.05447	2.3
111.04459	3.2
121.02869	63.1
142.39091	2.1
153.01823	8.5
279.45419	2.6
362.04303	3.5
365.06662	3.8
407.07761	4.4
419.03702	2.5
433.05551	10.1
434.06833	2.7
451.06882	3.0
537.08154	13.4
569.10785	100.0
569.29327	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	569.1441
Annotation	2,3-Dihydroisoginkgetin
Peak:m/z	Relative Intensity
52.32933	1.2
52.85833	1.1
58.79776	1.6
67.01859	15.1
68.99782	5.1
72.47002	1.7
73.38342	1.3
74.62243	1.3
97.02897	2.7
111.00783	1.8
129.01836	2.6
133.06532	2.3
135.04414	100.0
143.01926	2.3
153.01833	43.8
171.02867	29.6
173.06017	5.1
184.04607	2.3
201.05467	3.9
267.24008	1.9
273.17056	3.3
285.07556	3.2
291.18115	5.0
309.19016	2.3
314.19531	7.8
385.10684	10.0
391.12045	2.0
417.13263	54.5
443.11124	6.1
509.26181	5.1
569.14404	87.7
570.14905	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	569.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94363	4.4
58.86963	4.8
79.63024	6.2
91.05479	11.6
91.71027	11.3
95.93123	6.8
96.16307	6.5
105.22427	4.7
107.04931	7.3
108.94032	4.9
110.88515	5.3
115.05445	5.8
117.07002	5.9
119.04974	6.7
119.09735	5.4
131.04892	8.4
132.05717	9.5
133.02792	6.6
135.04446	8.1
137.05962	100.0
138.06319	5.7
139.73581	5.6
145.06459	6.4
146.03644	13.4
147.03392	5.9
147.04318	28.2
151.03903	13.0
153.05463	46.9
153.06532	7.3
160.05194	15.1
161.05919	11.0
163.03923	8.9
165.63023	7.3
173.05998	15.3
175.07545	64.7
177.05444	20.6
178.06262	19.0
179.07037	22.9
187.07536	35.3
191.06972	8.3
203.07060	10.2
223.07446	8.2
234.06815	7.4
235.07613	8.8
239.07016	11.4
265.08624	12.7
269.07962	7.4
277.08517	18.9
279.05890	7.2
285.07605	26.6
293.08176	14.5
297.10995	8.2
307.09534	11.0
309.11215	22.8
325.10803	12.6
327.12485	6.9
355.11758	14.4
367.11853	7.5
397.12646	11.8
480.13959	8.9
486.55310	7.7
533.18250	9.7
551.19104	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.3
57.07074	5.8
61.47624	6.5
63.77513	7.8
69.06224	6.5
79.05478	14.2
81.41319	6.6
88.18951	6.1
91.05508	15.0
95.04968	18.8
95.54527	6.4
97.02938	7.8
103.05502	28.7
105.03447	10.1
105.07004	12.9
106.04192	8.5
107.04984	18.5
119.04980	17.3
124.05221	9.0
129.07057	13.4
130.04245	20.1
131.04927	49.6
133.02945	12.1
133.06535	17.9
135.04417	12.5
137.05980	100.0
139.07600	12.3
144.94887	7.3
145.06497	10.5
147.04433	47.5
149.02356	8.3
149.06044	33.8
150.06796	13.1
151.03931	27.2
153.05516	27.6
161.05905	44.5
162.06723	53.0
163.03885	8.7
163.07613	27.1
167.07140	12.6
175.03674	7.5
175.07524	10.4
177.05437	38.9
189.05574	30.4
191.07097	10.0
203.07098	22.2
219.06586	15.8
233.08090	8.9
263.07166	8.9
265.08286	10.9
271.24228	8.8
301.07138	9.0
309.07574	15.2
325.10724	10.9
338.11545	8.7
341.10297	13.6
371.11310	18.9
375.23456	8.3
378.82944	7.8
379.11688	7.9
395.92917	9.1
397.13013	12.2
421.86316	9.4
533.18256	9.5
551.19513	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	569.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97964	8.2
75.28039	8.1
95.04974	10.3
103.05476	12.8
128.03322	9.5
131.04968	10.4
135.04395	10.4
137.05969	100.0
142.36682	12.3
147.04411	30.2
149.05870	15.2
153.05460	29.9
167.07021	11.3
175.07538	30.3
177.05453	21.6
179.07051	10.5
203.06998	14.8
236.35271	10.6
285.07669	16.0
290.72031	12.3
292.37131	11.0
532.69647	11.4
550.89984	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	569.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.3
57.07074	5.8
61.47624	6.5
63.77513	7.8
69.06224	6.5
79.05478	14.2
81.41319	6.6
88.18951	6.1
91.05508	15.0
95.04968	18.8
95.54527	6.4
97.02938	7.8
103.05502	28.7
105.03447	10.1
105.07004	12.9
106.04192	8.5
107.04984	18.5
119.04980	17.3
124.05221	9.0
129.07057	13.4
130.04245	20.1
131.04927	49.6
133.02945	12.1
133.06535	17.9
135.04417	12.5
137.05980	100.0
139.07600	12.3
144.94887	7.3
145.06497	10.5
147.04433	47.5
149.02356	8.3
149.06044	33.8
150.06796	13.1
151.03931	27.2
153.05516	27.6
161.05905	44.5
162.06723	53.0
163.03885	8.7
163.07613	27.1
167.07140	12.6
175.03674	7.5
175.07524	10.4
177.05437	38.9
189.05574	30.4
191.07097	10.0
203.07098	22.2
219.06586	15.8
233.08090	8.9
263.07166	8.9
265.08286	10.9
271.24228	8.8
301.07138	9.0
309.07574	15.2
325.10724	10.9
338.11545	8.7
341.10297	13.6
371.11310	18.9
375.23456	8.3
378.82944	7.8
379.11688	7.9
395.92917	9.1
397.13013	12.2
421.86316	9.4
533.18256	9.5
551.19513	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	569.293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50723	2.7
61.02919	2.5
64.16158	2.7
79.05476	3.2
88.20293	3.0
138.40196	3.4
142.26178	3.0
160.99860	3.2
194.59875	3.2
211.71907	2.8
259.07913	3.7
331.10211	4.5
353.59869	3.5
436.89651	4.7
569.29266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12416	2.2
72.49009	2.5
78.18558	2.8
81.21360	2.4
127.66962	2.9
150.56075	3.0
178.64386	3.0
197.33047	3.1
204.18883	3.4
267.75726	3.7
317.68719	3.7
331.10651	3.2
463.38892	3.5
471.21719	3.9
569.29248	100.0
570.29364	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	570.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41635	2.5
53.03910	3.8
55.05500	9.5
57.03416	3.9
61.02921	4.5
62.83267	2.9
63.39093	3.2
64.44173	3.6
67.05492	43.1
68.83454	3.4
69.03416	11.4
69.07060	14.3
71.04980	8.6
79.05489	10.7
81.03395	12.2
81.07044	53.2
83.08614	12.5
85.02904	26.9
85.06528	6.7
86.02891	3.1
87.00828	4.1
91.05453	8.9
93.07027	22.5
95.08604	55.1
97.02880	5.5
97.10175	10.1
97.38020	3.6
99.08110	3.9
105.01907	6.2
105.07041	8.8
107.08599	16.0
109.02885	8.3
109.10149	32.0
119.08601	9.7
121.10123	25.9
123.11696	12.8
127.03899	11.2
131.08586	8.6
133.10114	12.1
135.08067	6.3
135.11684	19.5
137.09648	6.9
137.13281	5.6
149.13281	6.4
159.11678	4.7
173.13144	4.7
191.17953	19.1
209.19023	12.1
215.17987	14.9
216.04109	4.1
225.22237	6.8
233.19011	12.2
251.20082	20.6
269.21039	38.4
287.22125	100.0
305.23218	15.5
447.58398	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	570.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98692	2.9
54.01613	3.1
57.06798	7.1
57.07065	83.7
69.07059	7.9
71.08622	63.0
83.08598	6.8
85.10170	34.2
89.06023	100.0
99.11705	4.1
109.19152	4.5
117.09178	7.9
130.08643	12.7
133.08589	69.8
177.11203	17.2
429.07446	4.6
446.16165	5.1
538.84692	4.8
553.42999	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	571.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.4
56.96523	5.3
63.46018	3.8
65.19331	4.1
69.07039	4.5
70.22416	4.6
72.30469	4.3
79.05479	9.5
83.04993	8.7
85.36665	4.5
91.05450	7.8
95.04925	5.0
98.14227	5.2
103.05457	6.8
105.07017	81.7
106.07332	4.5
115.05495	13.4
128.06206	5.6
129.07082	5.6
131.04880	5.2
131.08594	5.9
133.06503	80.3
137.06006	20.5
143.06087	12.1
144.05711	10.0
145.06456	9.3
145.65703	5.4
146.07269	14.4
147.04416	6.5
151.07481	9.0
159.08018	17.1
161.05978	100.0
161.21384	4.9
163.43011	5.1
187.07477	51.4
187.10915	5.1
192.30630	5.1
199.31279	5.5
205.08612	43.5
243.13872	10.6
367.19354	12.0
379.18915	7.7
571.26465	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	571.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04465	4.6
55.01862	5.7
65.84701	4.6
69.49191	5.1
73.82497	4.0
73.92538	4.2
75.74153	4.1
79.05512	8.1
91.05437	6.6
91.71815	7.3
103.05444	7.4
105.07035	90.3
113.42285	5.0
115.05457	14.8
131.04953	7.8
133.06485	75.7
137.05978	15.9
143.06039	9.2
144.05673	7.4
145.06525	6.8
146.07257	11.6
159.08105	22.1
161.05965	100.0
162.06779	7.5
175.07663	7.1
187.07539	58.8
205.08603	48.2
243.13879	8.9
276.73175	5.8
367.19019	11.5
379.18970	11.3
539.58606	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	571.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	42.1
71.39426	2.4
74.79825	2.1
91.70999	6.2
97.96796	2.9
97.99157	4.0
138.88087	2.6
140.59123	2.8
147.04420	4.7
170.01257	5.6
193.02905	6.9
213.75006	2.8
287.13135	25.7
305.14243	40.6
323.15396	11.2
328.15808	100.0
329.16214	4.6
346.16846	56.5
369.18439	29.9
473.63129	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	572.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57369	1.3
57.03423	1.4
63.96574	1.1
64.69638	1.1
65.03917	2.7
69.03388	2.7
71.59541	1.5
73.12928	1.5
73.91734	1.4
78.73041	1.4
85.02894	5.6
97.02902	1.9
103.05450	10.5
109.06541	2.1
111.04435	5.5
117.07016	1.8
122.03668	4.6
125.05985	4.0
129.07008	2.0
131.04929	26.0
137.05972	100.0
144.05714	2.7
145.06506	2.3
149.05916	7.7
149.84520	1.5
153.05461	10.1
160.05244	2.1
163.07571	8.6
165.05496	7.8
172.05219	3.8
175.07527	13.5
177.05460	4.4
187.07529	26.8
189.09154	2.8
191.07069	3.0
191.08656	3.3
193.52545	1.8
203.07036	3.9
219.08038	5.1
233.08089	8.1
234.06750	1.8
247.07451	3.1
251.10820	2.1
261.08981	2.6
263.07159	1.9
265.08563	1.7
267.57983	1.8
277.08566	2.5
279.10205	5.2
309.11307	4.0
311.12732	15.4
321.11246	5.7
339.12149	17.6
357.13303	5.2
367.60608	1.9
394.76013	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	572.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57369	1.3
57.03423	1.4
63.96574	1.1
64.69638	1.1
65.03917	2.7
69.03388	2.7
71.59541	1.5
73.12928	1.5
73.91734	1.4
78.73041	1.4
85.02894	5.6
97.02902	1.9
103.05450	10.5
109.06541	2.1
111.04435	5.5
117.07016	1.8
122.03668	4.6
125.05985	4.0
129.07008	2.0
131.04929	26.0
137.05972	100.0
144.05714	2.7
145.06506	2.3
149.05916	7.7
149.84520	1.5
153.05461	10.1
160.05244	2.1
163.07571	8.6
165.05496	7.8
172.05219	3.8
175.07527	13.5
177.05460	4.4
187.07529	26.8
189.09154	2.8
191.07069	3.0
191.08656	3.3
193.52545	1.8
203.07036	3.9
219.08038	5.1
233.08089	8.1
234.06750	1.8
247.07451	3.1
251.10820	2.1
261.08981	2.6
263.07159	1.9
265.08563	1.7
267.57983	1.8
277.08566	2.5
279.10205	5.2
309.11307	4.0
311.12732	15.4
321.11246	5.7
339.12149	17.6
357.13303	5.2
367.60608	1.9
394.76013	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	572.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47199	3.1
50.70260	2.6
52.01211	3.0
54.50492	2.7
56.57594	2.5
56.78488	2.6
57.42569	2.7
58.00762	2.8
59.39487	2.7
59.42566	3.0
67.59029	3.2
68.76086	3.9
77.48897	3.3
82.06450	3.6
91.05462	3.9
91.43091	3.4
91.70942	3.1
94.04198	4.1
103.05479	8.4
120.41179	4.1
122.03642	8.5
131.04938	18.9
134.26225	4.0
137.05965	100.0
151.07498	7.7
155.22418	4.2
161.06027	6.9
175.07658	4.4
187.07491	6.6
193.63565	3.7
259.09732	3.8
288.57416	5.2
291.09976	4.2
303.09912	5.2
315.09744	5.2
335.12582	17.8
347.12714	10.1
365.13693	6.3
439.14688	4.8
471.18118	8.2
489.19034	21.3
501.19095	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	572.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99587	14.6
65.65629	3.6
67.05515	6.9
69.07095	9.5
70.06608	4.5
71.04994	3.6
72.56090	3.6
76.02221	100.0
79.05513	8.7
81.07073	11.5
84.04482	21.4
91.05522	7.7
93.07046	10.7
95.08602	9.7
99.03761	3.9
99.48685	4.0
100.02290	4.6
102.05466	4.8
105.07059	6.2
107.08614	9.2
113.39567	4.5
116.01651	23.7
119.08630	5.5
121.10184	7.0
130.05025	8.5
131.08620	8.7
133.10078	5.0
137.05946	4.7
142.03275	7.6
144.01155	10.1
145.10179	8.7
151.11217	6.0
162.02193	48.1
163.11292	5.5
175.17065	5.9
177.05585	4.7
178.27734	4.0
179.04855	97.5
190.73705	4.2
202.04976	5.2
203.37074	4.4
207.32677	4.7
219.17458	4.4
219.26453	4.3
223.56676	4.4
233.05966	10.2
245.15555	4.7
247.16951	7.2
265.17938	24.7
308.09164	26.6
315.13403	10.3
340.19458	11.2
479.95172	7.3
550.04358	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	572.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51358	1.5
56.34964	1.5
56.60737	1.5
57.07069	30.6
62.50819	1.8
63.24389	1.5
71.08624	32.8
73.06554	10.2
78.02089	1.6
83.08599	3.2
84.04346	1.8
85.10182	24.7
87.04462	5.9
89.06024	100.0
97.10220	1.9
99.11744	2.7
100.22312	2.0
107.07098	1.9
114.09198	2.6
117.09121	6.8
117.41422	1.8
127.79326	2.0
130.08635	22.2
131.68906	2.0
133.08598	55.5
177.11195	23.4
221.13869	3.4
226.21732	6.0
229.21658	8.5
273.24142	5.5
283.17938	3.6
313.27408	3.4
360.67410	2.3
415.25696	3.3
555.40942	8.0
584.14801	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25678	2.7
51.78621	3.2
55.05498	7.1
59.67326	2.4
67.05495	87.7
69.07039	9.1
79.05482	14.9
81.07046	96.5
83.08599	12.8
91.05453	20.5
93.07036	28.5
95.08599	87.0
97.06539	7.3
97.10161	9.3
103.81405	3.4
104.73560	2.9
105.07037	8.4
107.08590	21.4
109.10151	42.7
111.08090	6.9
119.08599	11.3
121.10123	20.9
123.11685	19.8
131.08554	4.8
133.10133	26.4
135.11685	22.2
137.09624	5.7
137.13252	5.5
145.10107	9.8
147.11710	4.8
149.13313	9.4
151.11166	11.9
155.10641	4.5
159.11688	5.4
169.12245	7.8
173.13228	5.0
215.17926	29.5
233.18990	24.1
251.20018	100.0
269.21115	9.8
403.83981	4.4
474.43439	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	573.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	1.8
55.45726	1.4
57.06807	3.4
57.07071	58.2
67.05492	1.9
67.19315	1.7
79.05478	3.0
81.03396	1.7
81.07053	19.8
83.04962	6.4
85.06538	24.0
91.05489	12.8
94.04153	4.5
95.04964	4.9
102.59918	1.9
103.05449	14.3
105.07032	9.9
107.04974	2.7
109.06516	12.8
119.04954	7.1
119.08546	3.2
121.06459	3.8
122.03629	6.6
129.06976	4.3
131.04915	20.7
131.08566	6.6
133.06488	7.5
135.04405	21.9
135.08073	2.0
136.42403	2.0
137.05981	100.0
145.06508	2.2
145.10210	2.5
151.07527	15.8
153.05473	4.3
154.53192	1.9
157.06570	2.1
158.06018	1.9
159.08078	2.6
161.05969	13.4
161.09627	2.2
163.07509	9.5
173.09595	3.1
175.07562	2.6
175.11229	4.6
181.06537	2.5
181.49274	1.8
183.07948	2.2
187.07594	3.7
189.09117	5.4
201.09113	3.0
208.53810	1.9
208.89474	1.8
213.09114	4.0
225.09030	2.4
229.08597	5.6
243.13771	4.4
253.12283	3.6
257.15390	4.3
273.14844	3.1
281.11774	3.1
297.14767	13.4
335.22507	2.0
363.19644	3.4
381.20596	99.2
382.20963	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	573.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59320	4.6
50.71043	5.2
55.87457	4.6
57.07065	58.0
66.07726	5.7
67.53027	5.8
71.58196	4.6
73.13884	4.9
79.05485	6.9
79.64890	4.8
81.07024	17.3
85.06528	19.9
91.05479	14.4
103.05469	26.5
105.07059	7.7
109.06533	12.4
119.04947	9.6
119.12140	6.0
121.06496	7.1
125.21535	5.6
131.04932	67.4
137.05957	100.0
151.07515	13.0
161.05946	15.9
163.07529	39.7
166.66650	6.1
189.09172	7.5
195.06197	6.1
297.14941	16.1
381.20523	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59539	10.6
54.88285	9.7
66.71662	8.9
77.82841	11.1
84.66464	9.7
96.12242	11.2
112.27426	11.1
120.12949	11.6
136.11406	10.7
202.63547	11.3
321.77536	13.7
331.13663	12.6
370.52710	12.5
573.37335	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83001	2.9
69.03423	5.7
70.85816	3.1
71.04981	11.3
71.12636	3.8
72.08141	15.0
81.03407	7.4
84.04495	9.5
88.07583	4.8
96.04485	70.4
97.02829	4.8
98.06067	10.2
109.02896	8.5
114.05487	3.7
118.08620	8.1
126.05506	90.3
144.06549	100.0
147.73624	3.5
166.08614	64.1
196.09648	22.6
199.36340	3.9
214.10712	45.3
232.11729	49.0
240.70636	3.8
249.83138	3.6
261.21048	3.6
356.81039	4.0
442.67258	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	575.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
70.53421	3.0
77.85117	3.1
97.87705	3.4
118.59859	4.6
229.57097	3.9
380.12564	5.3
399.71579	4.5
450.24728	4.2
514.77893	4.7
545.17883	5.7
575.18909	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	52.0
57.06055	6.1
78.43690	6.8
97.99182	11.7
98.97585	23.9
113.03672	7.3
116.98592	13.9
126.05980	8.0
135.66061	8.1
140.00188	23.6
140.98674	10.4
154.01796	11.4
158.01254	9.9
158.99695	18.1
164.45595	9.4
173.01210	13.6
177.00719	13.6
182.01233	39.5
189.00737	8.0
193.02939	7.5
196.02832	22.8
196.07367	8.8
200.02319	25.3
202.72614	8.5
223.03914	17.1
229.03835	14.3
237.02972	9.6
242.03285	11.9
270.06360	11.3
278.17725	8.0
283.05875	14.8
285.63907	8.4
295.12231	16.1
313.13235	10.9
318.13785	23.2
336.14755	25.6
360.09717	12.3
372.15720	9.9
422.96097	10.6
436.64838	9.1
489.19986	100.0
507.20969	17.3
530.22321	28.6
531.21460	27.5
575.20752	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	575.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92454	0.4
55.01857	1.0
57.07058	1.1
57.10237	0.5
60.99297	0.5
63.75625	0.5
65.03901	0.6
66.55613	0.5
78.82056	0.6
79.05444	0.9
80.01828	0.5
81.03400	7.5
91.05457	2.2
94.04163	2.5
98.14890	0.6
102.10596	0.6
103.05476	1.1
109.06466	0.9
115.05441	1.0
117.07012	1.7
122.03633	5.1
128.06244	1.6
129.06990	4.9
131.04924	2.7
135.04393	0.6
137.05968	100.0
138.06290	0.7
143.04886	0.6
143.08598	0.7
145.06490	2.6
151.03877	3.1
157.06458	4.4
160.05176	1.9
161.05911	1.3
163.07547	0.9
173.06116	0.8
174.06796	0.8
175.07527	9.8
185.05942	1.0
187.07541	3.2
189.09059	4.1
201.09172	0.7
205.08543	4.2
210.20776	0.6
212.57011	0.6
217.08545	2.7
234.06961	0.6
235.09583	1.7
241.08728	1.0
249.09328	0.7
270.08780	0.9
308.92661	0.7
309.11011	0.6
313.47574	0.6
323.12985	0.8
339.12183	1.3
353.13760	0.8
397.93246	0.6
469.16364	0.7
486.16357	0.8
527.21448	0.8
539.20624	0.9
575.22668	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	575.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22424	1.4
59.53149	1.3
62.84394	1.6
79.05462	1.5
81.03399	7.1
91.05496	2.0
98.99719	1.5
117.07006	2.1
122.03647	6.6
126.88157	1.6
128.06256	1.9
129.06987	5.1
131.04936	2.1
137.05966	100.0
151.03879	3.1
157.06442	4.1
160.05164	2.5
160.38181	1.7
163.07541	2.3
168.88676	1.7
171.29747	1.7
175.07578	12.4
187.07454	3.9
189.09102	5.8
205.08572	5.7
217.08679	4.1
235.09688	2.3
249.09341	2.2
291.10242	2.6
389.56604	1.9
407.35910	1.8
551.97516	2.4
575.22876	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	575.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
66.76981	10.7
67.05485	19.7
69.07061	15.4
70.49754	10.9
81.07056	70.2
82.18427	11.5
84.10405	12.5
88.16415	11.5
91.05478	53.3
91.28590	11.5
93.07040	43.9
95.08598	38.6
97.10127	11.6
105.07024	42.3
107.08592	25.6
117.07026	22.8
118.64580	13.5
119.08603	25.9
131.08546	36.9
139.95695	13.2
143.08582	21.8
145.10135	32.3
147.11806	14.2
155.07104	15.8
157.10045	13.4
159.11752	31.9
161.13298	15.7
164.10626	18.0
169.10185	21.0
171.11674	16.3
185.13637	12.5
197.13243	19.4
203.30568	13.6
245.09479	20.5
253.19518	82.8
260.65665	14.5
271.10712	16.2
271.20569	31.8
281.18887	77.4
284.11493	45.1
285.12323	31.8
299.20038	100.0
391.17749	16.5
408.19122	36.3
438.20230	72.7
446.60794	14.6
575.28876	78.5
583.49072	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	575.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
57.47782	0.8
67.05495	1.1
68.77080	0.8
69.07053	3.0
70.06579	1.0
79.67512	0.8
81.07034	2.0
82.49548	0.7
83.03414	0.8
85.08728	0.9
86.52301	0.9
103.76570	0.8
112.07598	0.9
122.06097	1.1
136.93600	0.9
138.09132	1.4
140.07100	3.0
148.07600	3.4
168.06590	2.4
199.08701	2.9
201.10358	1.1
201.75769	1.0
215.11716	1.0
225.10309	3.0
226.08694	1.1
227.11681	1.5
255.11246	14.5
269.12900	3.2
287.13937	1.6
297.12308	5.8
299.13647	1.2
315.13351	100.0
316.13937	5.1
336.25107	1.1
437.42065	1.0
481.08011	1.2
575.28613	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	575.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43719	1.7
67.05492	3.7
95.20961	2.1
124.24191	2.0
127.95471	2.7
138.09137	3.6
139.03928	2.3
139.18100	2.3
153.05475	3.7
164.10754	5.3
212.09334	5.7
227.11746	3.9
271.10748	60.7
315.13272	4.5
320.14182	5.0
363.12396	3.0
363.17188	4.1
364.12903	27.1
372.95227	2.9
378.14368	4.4
379.15237	9.5
380.19644	6.2
391.16150	10.6
406.17606	3.7
408.19135	100.0
438.20172	52.3
545.27692	10.9
549.32111	2.7
575.28619	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.3
59.26472	0.5
63.92985	0.6
69.03422	0.6
69.07061	2.3
70.06609	0.6
70.68813	0.6
89.17158	0.5
94.03179	0.6
95.04903	0.8
96.04434	0.6
97.15924	0.6
101.87456	0.6
111.62829	0.6
122.06062	1.7
132.08076	0.8
138.09195	1.4
140.07076	3.0
148.07544	4.3
159.52696	0.7
164.10674	1.2
168.06502	3.4
168.43158	0.6
174.05533	0.7
185.07030	1.5
199.08624	3.1
201.10204	1.1
210.09100	0.7
212.09503	0.9
213.10150	1.2
215.11671	1.0
225.10178	3.1
226.08572	0.8
227.08150	1.0
227.11772	3.8
241.09666	1.0
241.13397	1.7
243.11191	2.1
245.09209	3.2
255.11296	12.5
269.12805	2.7
279.05048	0.7
287.13962	2.0
297.12329	5.2
299.13824	2.1
315.13354	100.0
316.13898	4.7
408.19077	3.9
420.18918	1.9
438.20340	1.8
523.71088	0.7
557.27240	0.9
575.28333	2.6
596.32141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.8
58.88049	1.2
61.70679	0.9
67.05475	1.2
69.07058	3.0
69.24301	1.0
70.06581	1.8
73.12234	1.0
75.49272	1.1
81.07076	1.4
85.02896	1.3
94.06583	1.3
95.04971	1.3
95.08590	1.4
137.05946	2.4
138.09123	2.9
138.26657	1.3
139.03889	4.0
140.07098	4.9
148.07552	4.1
151.03928	1.8
153.05507	2.2
163.03940	1.7
168.06549	4.4
199.08681	2.7
203.09712	1.6
216.23212	1.3
225.10223	3.1
227.08237	1.4
227.11792	3.4
241.09947	1.5
241.13411	1.5
243.11205	1.4
249.58954	1.4
255.11276	14.7
269.12909	3.3
287.13922	2.8
297.12415	4.2
299.13812	2.3
315.13351	100.0
316.13971	4.7
329.75726	1.4
346.45633	1.4
389.23306	2.1
406.17352	2.4
408.19254	1.8
436.18604	1.5
438.20517	3.0
575.28705	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	575.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14051	6.7
67.05521	8.3
71.08640	5.4
81.07051	11.4
87.04471	9.9
133.10149	10.1
143.55467	6.4
176.04311	6.3
296.72589	6.5
404.37286	8.1
501.16434	6.8
575.39331	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23196	3.8
62.30004	4.0
66.72553	4.1
72.33521	3.9
84.37140	3.5
88.99862	4.4
95.97943	5.7
110.50948	4.7
113.06099	4.9
128.38310	4.4
178.71548	4.6
350.36340	4.9
575.39465	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36456	2.6
56.85469	2.3
60.69415	2.6
66.67809	2.7
71.74299	2.5
91.70992	5.9
117.32395	3.1
141.66518	2.7
196.58658	3.7
211.67447	3.1
221.77988	3.1
271.20847	4.6
290.64883	3.1
299.81540	3.4
307.56073	3.5
317.28006	3.2
342.07639	3.9
437.05688	3.8
575.41309	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23760	4.5
51.77569	4.9
57.07061	10.4
59.04996	10.4
67.05477	10.2
69.06998	6.4
82.46208	5.5
91.71567	8.9
103.07566	9.5
105.19872	5.7
114.07393	18.1
139.91045	7.4
140.38306	5.7
218.85762	6.8
239.09508	35.7
243.58252	6.4
517.20447	25.6
535.21552	10.2
558.22864	100.0
575.41461	14.3
576.24127	12.3
576.41223	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	576.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.3
57.07071	21.5
64.80628	2.7
66.01381	3.0
67.67380	3.2
71.68819	3.5
83.01286	4.0
86.06268	3.3
95.04935	4.6
97.09592	3.3
107.08631	4.8
121.06503	30.0
137.05972	16.0
138.06355	5.0
149.05905	4.6
149.09572	3.9
152.10696	12.3
161.09331	3.3
165.05501	5.3
175.03944	3.7
190.41071	3.9
196.18437	3.4
204.83475	3.4
213.09167	8.9
217.08498	3.9
241.08516	6.7
247.13255	8.6
259.09695	13.3
269.08167	4.7
287.08932	6.2
333.16769	7.1
361.16257	8.7
379.17490	100.0
492.02020	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	576.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25630	4.3
50.36892	3.7
51.08965	3.3
53.46214	3.5
55.05490	5.9
55.69645	3.6
57.07059	14.1
57.35044	3.8
69.03406	4.0
69.97941	3.4
72.51649	4.0
73.06532	4.4
77.00513	4.2
83.04993	7.8
85.02896	10.9
92.36531	4.0
104.67938	4.7
111.04484	5.3
142.14909	4.1
143.08430	5.2
151.35941	4.8
157.10100	5.2
159.07983	5.8
159.11708	8.5
163.11116	5.1
173.89124	4.5
175.11201	6.0
185.09705	5.2
203.10681	4.9
259.13351	6.5
259.97827	4.8
269.15436	6.8
305.13812	16.1
315.15781	21.8
319.15372	13.1
333.16931	68.6
361.16476	8.4
379.17535	100.0
390.50818	4.8
396.19937	8.5
397.18442	47.2
442.84174	5.3
548.92853	5.6
591.50275	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	576.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88216	0.9
57.03452	0.9
66.35705	0.8
67.05502	1.2
73.02914	1.0
81.07056	1.2
85.02910	1.3
91.05476	6.8
91.71579	1.2
92.88374	0.9
94.04184	2.2
94.73836	1.0
94.91094	1.0
95.04971	1.2
103.05492	4.2
105.07070	3.7
107.05002	1.0
115.05466	1.6
119.04988	2.9
120.57069	0.9
121.06541	1.2
122.03639	6.4
123.08090	1.3
126.40728	1.2
128.06230	1.3
129.07054	2.0
131.04926	9.3
133.02913	1.4
133.06544	3.7
135.08081	1.2
137.05975	100.0
139.90019	1.0
141.07237	1.2
145.06511	1.5
147.04433	3.8
149.06015	2.5
151.07532	14.1
157.06520	1.6
160.05203	1.3
161.05963	8.1
163.07518	11.9
165.09212	1.1
166.59477	1.0
175.07550	10.3
187.07634	3.1
189.09200	3.2
193.08794	1.5
201.09213	2.5
203.10777	1.8
205.06497	1.1
212.34901	1.1
213.09254	1.6
227.10762	2.5
233.09724	2.8
235.07822	1.2
239.10616	1.2
247.07436	1.3
249.09140	2.0
261.09015	2.4
265.08603	1.6
281.11914	1.1
285.11346	2.1
287.12854	5.6
293.11801	1.5
299.12860	3.0
311.12872	3.9
321.11050	1.1
325.14413	2.3
329.13849	2.0
351.15836	5.8
363.16144	2.0
369.17145	3.2
381.16681	1.5
475.20926	2.4
487.21292	1.5
493.21896	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	576.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	100.0
71.04963	1.7
71.24181	1.4
73.02898	2.6
73.04747	4.0
87.04465	1.7
89.06015	3.0
91.05782	8.8
95.01604	1.5
100.07610	3.5
103.07571	70.3
104.59134	1.3
107.71893	1.5
112.06042	1.4
114.07391	7.1
115.07567	3.0
133.37288	1.6
134.05493	1.6
147.10136	17.2
154.75748	2.0
181.07146	4.3
194.37364	1.8
207.08716	6.2
221.08275	3.0
239.09433	12.9
251.11316	5.0
263.11328	2.2
330.89606	2.1
345.59579	2.0
543.76038	1.9
576.34033	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	577.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.9
55.05494	2.7
55.36842	2.2
55.39127	2.0
57.03412	3.0
66.04654	1.8
67.05491	6.4
69.03432	2.9
70.06571	4.0
70.77048	2.3
71.04980	10.5
73.02908	53.7
81.03396	5.2
81.07059	2.2
83.04988	9.1
85.02900	32.0
87.04455	6.1
93.07056	2.3
99.04458	28.7
105.07014	3.1
109.02870	2.6
111.04424	4.7
121.02921	3.6
127.02969	3.0
127.03913	54.1
129.05467	2.5
134.47548	2.3
145.04985	7.1
147.04546	2.2
153.01819	8.1
157.05042	2.9
158.14767	2.3
255.08780	3.5
287.05475	100.0
296.74527	2.6
299.05646	2.7
329.06543	5.1
379.65622	2.5
408.19031	4.1
423.48026	2.4
537.68915	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	577.168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50297	10.9
56.41756	11.9
79.17727	15.5
91.33449	18.3
92.18726	13.8
115.14713	14.4
122.94650	14.8
184.97490	16.0
577.16974	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
104.35027	22.6
174.20895	22.6
375.18295	28.9
577.16937	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27412	14.7
54.19557	14.3
56.84656	13.1
59.97313	12.3
61.97715	12.2
68.01768	14.4
71.15339	13.8
75.28951	15.5
107.58696	15.8
107.94754	14.9
118.54118	16.6
120.55005	16.3
130.34558	16.3
138.39398	16.7
141.59007	15.4
153.11810	17.5
210.45894	15.9
282.32098	19.2
577.16650	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69608	5.0
63.73667	4.2
64.07697	3.7
64.99568	4.2
70.06574	8.2
73.38178	4.5
86.09676	8.7
91.71705	4.9
158.26604	5.1
173.12924	6.3
201.31888	5.0
202.51041	4.9
233.50407	4.9
235.86751	4.7
339.84103	6.2
397.03671	5.2
504.53400	5.5
509.46930	6.1
533.19910	10.1
577.18884	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
64.74815	8.0
70.57809	8.0
91.11089	8.1
104.09690	8.4
150.09247	8.7
151.03748	11.1
289.11887	10.0
577.20325	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38007	4.9
62.15749	3.6
67.05486	6.1
72.95998	4.7
74.60082	4.7
84.04504	4.6
91.05471	5.9
95.08609	10.2
101.84035	6.3
134.19896	4.8
139.21823	5.1
155.92390	5.8
165.58377	4.6
186.77275	5.3
297.12595	8.5
315.13272	10.5
316.13687	13.7
317.14191	7.6
363.92557	6.4
424.21777	5.8
571.49786	6.3
577.20203	100.0
577.28625	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	577.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83334	3.6
50.94276	3.6
51.87297	4.0
66.84178	3.9
79.05521	4.9
80.17838	4.3
80.79371	4.9
83.04932	6.2
91.05495	10.9
94.04181	5.5
103.05482	8.2
105.07021	5.7
107.04980	6.4
115.05489	5.2
122.03637	7.1
128.80894	4.7
129.07010	5.3
131.04922	10.1
131.08591	7.1
137.05966	100.0
151.07611	5.9
175.07452	7.1
187.63303	6.2
189.09087	9.5
269.09860	5.3
277.08582	6.1
297.12601	9.8
303.10092	5.9
309.04971	5.5
313.12054	6.1
329.15329	6.2
353.13748	9.8
403.15515	5.6
410.37607	6.6
435.18002	45.2
453.19272	9.3
541.22339	8.7
559.22961	16.3
577.24066	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	577.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49379	1.3
56.47145	1.3
60.69763	1.4
61.01147	18.2
67.01692	1.6
70.06580	91.8
70.74228	1.7
72.08151	10.2
73.09196	1.5
83.06087	4.2
84.04498	11.5
91.71082	3.7
101.07134	6.9
109.21701	1.4
118.06869	100.0
129.06596	4.0
138.09145	2.4
146.06023	4.5
147.07591	1.7
148.11162	1.7
154.18332	1.9
155.11844	2.6
159.09244	2.6
163.09073	8.3
182.12923	5.8
183.11400	4.2
188.07028	11.6
200.13864	3.4
205.09718	5.3
228.08826	2.4
228.13539	3.5
243.08232	1.8
244.12936	4.1
246.12709	5.2
261.08646	4.7
274.12180	29.4
287.10217	8.2
304.16647	2.9
311.33429	1.8
373.19019	17.0
433.66507	1.8
540.78003	2.0
577.27692	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	577.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
91.71687	2.1
96.74974	1.9
171.14587	2.4
178.99948	2.3
208.87512	2.2
218.52077	2.2
218.54211	2.2
382.32333	2.5
440.36407	2.3
459.07434	2.3
523.74530	2.8
577.39166	100.0
578.39288	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	577.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94105	1.5
55.05500	3.0
60.24707	1.8
67.05497	7.1
75.62428	1.9
76.64442	1.9
81.07058	5.4
82.52996	2.3
83.08571	2.0
90.27465	1.9
91.70975	3.5
93.07038	3.1
95.08585	3.9
99.61084	2.3
101.62473	2.2
105.44788	2.2
131.58356	2.0
137.72815	2.1
142.45715	2.0
143.02812	2.6
291.19235	3.0
309.20364	10.9
473.09219	2.4
479.36917	3.7
577.40723	100.0
578.40747	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	577.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	27.7
59.18424	5.8
60.11181	5.4
63.80096	5.9
67.05497	89.9
69.07047	29.7
79.05486	16.0
81.07048	100.0
83.08609	30.0
91.05464	18.3
93.07037	40.1
95.08594	70.5
97.06557	8.1
97.10140	11.1
105.06985	9.4
107.08600	14.6
109.10162	30.5
115.29284	6.8
119.08599	8.7
121.10136	21.2
125.78099	6.7
133.10094	10.2
135.11710	15.3
181.08989	9.2
338.83765	8.8
439.67172	8.4
534.82190	8.8
555.16681	7.4
577.44708	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53051	8.6
55.05494	32.4
67.05503	80.2
69.07050	34.4
79.05483	36.3
81.07047	100.0
83.08624	14.6
91.05481	24.2
93.07059	44.0
95.08602	97.1
97.10172	14.0
98.78816	9.9
105.07013	13.5
107.08620	22.1
109.10191	46.6
109.10791	9.8
119.08560	10.7
121.10132	30.8
123.11754	17.0
124.79030	8.8
125.78484	9.0
131.08546	15.6
133.10130	22.6
135.11707	28.0
161.57523	9.8
163.58638	8.6
172.90387	9.0
191.60660	10.6
235.20708	12.1
299.75443	11.0
335.47198	11.0
374.22134	10.7
463.32120	12.6
577.44250	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	578.257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	5.9
60.68534	2.3
64.95676	1.9
67.56348	2.0
70.02960	2.4
70.06606	8.9
72.08167	3.0
74.02454	2.4
76.09668	2.0
83.05021	2.7
83.06129	8.4
84.04498	100.0
85.02927	7.4
86.06055	28.2
86.06479	2.4
86.09719	4.8
87.05618	5.1
101.07137	97.0
108.71834	2.1
111.04467	2.3
114.05530	54.4
120.08099	65.0
127.03973	4.6
129.06641	4.9
131.08212	9.5
133.06073	27.2
133.06868	2.4
139.03941	2.5
142.50203	2.6
149.94432	2.3
151.78467	2.4
173.05656	8.8
186.09212	6.5
190.08319	9.2
198.40981	2.3
205.09724	3.4
214.11934	4.4
216.53685	2.3
230.12903	4.7
231.11452	9.0
239.33134	2.9
242.11342	57.2
248.13969	3.0
259.10809	3.3
276.13416	3.6
337.14886	17.8
361.18866	2.6
389.18039	14.4
425.09601	2.9
446.20306	3.1
447.19986	4.1
604.59692	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	578.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.5
55.01860	12.7
55.05491	14.6
57.03417	8.1
57.07051	4.6
60.04543	2.5
61.02905	4.5
67.05496	34.0
68.70493	2.7
69.03422	40.4
69.07058	24.9
69.58799	2.6
71.05002	8.2
71.08626	3.3
71.31481	2.8
79.05482	15.5
81.03413	39.8
81.07050	38.8
83.08613	21.0
83.57433	3.1
85.02896	100.0
87.00815	20.9
91.05476	10.9
93.07045	20.7
95.04922	4.2
95.08591	45.6
97.02869	34.5
97.06544	3.8
99.04461	13.5
105.01884	24.1
105.07013	8.1
107.08572	11.9
109.02876	32.2
109.10131	8.8
111.08085	9.3
112.30405	3.3
119.08588	3.9
121.10153	9.7
123.08086	12.0
123.11661	5.2
125.09624	5.4
127.03915	51.6
129.01826	4.6
133.10112	3.6
135.11601	5.5
137.13191	4.5
145.04985	14.7
147.11681	4.5
149.13245	5.4
159.02905	14.2
159.10184	13.0
161.13269	7.4
171.10153	8.2
175.09682	9.1
175.14838	6.4
189.03969	3.6
195.13699	3.7
213.03801	4.1
231.04988	8.9
249.22273	5.0
259.20572	5.6
277.21594	46.0
287.68207	3.9
295.22656	34.3
468.59265	4.0
531.76410	3.7
533.05841	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	579.1497
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
60.38239	1.6
61.27768	1.4
65.03934	1.4
68.99796	4.4
81.03421	3.3
92.46841	2.0
94.96006	1.8
95.05029	1.7
96.17224	1.6
109.02925	2.6
111.00808	2.5
111.04453	3.0
120.28517	1.8
123.04424	34.8
127.03909	100.0
130.48270	1.7
135.04393	27.7
139.03894	46.6
139.04929	2.7
147.04430	4.3
149.02345	4.2
149.06075	2.4
151.03963	7.1
159.04497	2.6
159.99921	1.6
161.06085	3.2
163.03889	32.4
163.05150	2.1
165.05501	4.1
167.03459	5.4
173.06052	4.1
175.04007	2.1
177.05464	4.0
179.03514	2.4
179.49443	1.9
187.03976	5.5
189.05550	2.8
191.03455	6.9
193.05035	2.6
197.06052	2.5
201.05591	4.8
203.03473	8.0
203.07109	2.8
205.05020	2.8
218.99432	1.9
229.05011	4.2
233.04581	4.2
233.20901	1.9
242.87549	2.0
243.06580	2.6
245.04478	4.8
247.05905	10.3
257.04486	4.1
259.05975	8.2
269.04626	2.0
271.05942	11.5
273.07532	2.1
275.05490	8.6
283.05942	4.4
287.05429	13.4
289.06970	8.3
291.08777	7.5
299.05786	2.2
301.07257	5.6
409.09229	9.4
477.39923	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82274	6.1
53.49903	5.6
57.07064	16.9
62.94731	5.4
67.51702	5.8
80.66055	6.8
95.98643	6.8
119.01939	10.3
119.08591	9.1
137.05942	8.1
142.03429	6.8
142.09662	6.8
143.08546	12.2
150.50787	8.4
176.67313	8.8
203.14301	12.4
231.13716	9.3
331.13751	12.3
349.14859	23.3
354.15662	8.1
372.16553	100.0
420.14224	7.4
560.28571	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	579.3829
Annotation	Anhydroamarouciaxanthin B
Peak:m/z	Relative Intensity
50.40934	13.4
50.90078	16.6
51.36702	15.1
59.48375	17.1
66.70813	14.4
67.05490	22.8
69.07051	19.2
78.09292	15.6
79.05506	25.7
81.07050	87.8
91.05469	40.6
91.71076	40.5
93.07063	58.5
95.08608	45.3
105.07042	61.4
106.12493	16.2
107.08612	25.0
119.08598	39.9
121.06506	21.9
121.10155	35.8
131.08583	56.5
133.10117	29.1
145.10193	39.1
155.08675	22.9
157.10159	49.2
159.11644	40.6
161.13228	27.8
169.10162	21.2
173.13239	27.9
175.14732	22.1
178.05191	19.4
187.93712	18.4
195.11694	40.6
197.13120	23.0
209.13011	18.2
213.16446	50.0
281.18973	28.6
381.10370	20.8
459.37024	24.1
543.35913	37.3
561.37488	100.0
579.38513	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.0
55.68914	0.5
69.07052	2.3
72.08146	23.0
73.37592	0.6
73.46338	0.4
74.80804	0.5
78.19297	0.5
86.09695	100.0
100.90142	0.5
112.11258	0.9
113.10768	1.1
133.39140	0.5
141.10202	6.5
155.11768	1.1
157.13344	6.2
167.11826	0.5
169.09749	0.7
183.11328	2.2
185.12807	4.5
185.16470	1.9
195.11382	0.6
199.17986	1.0
209.16492	0.6
213.16052	1.8
254.14977	0.9
282.18094	12.0
284.19727	1.6
296.19724	1.6
298.21146	3.1
350.24106	1.0
353.21786	20.2
367.23508	2.3
395.26309	1.0
466.30191	8.4
466.36090	0.8
555.13898	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10207	11.7
51.74608	11.9
55.05491	46.0
57.07069	22.1
59.51490	15.4
67.05495	100.0
67.65624	12.1
69.07056	37.3
79.05485	33.2
81.07055	88.1
83.08615	45.4
91.05470	43.3
93.07034	46.1
95.08581	88.3
97.10192	28.9
100.96888	15.5
105.07033	16.1
107.08585	27.7
109.10154	37.1
111.42487	15.2
115.21682	15.9
121.10111	51.9
124.40616	18.1
133.10115	28.3
135.11716	19.1
136.99377	14.5
150.91066	15.5
172.59962	17.3
186.12448	17.6
194.04788	15.7
302.08646	17.6
311.25897	21.3
337.01285	17.2
347.32632	17.2
481.34741	17.6
579.46198	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1439
Annotation	Kayaflavone
Peak:m/z	Relative Intensity
58.20506	1.1
60.26902	1.3
67.01844	1.5
76.80569	1.4
77.02338	1.4
77.03951	1.5
95.04970	3.5
111.04463	1.4
121.02888	9.2
125.05972	3.9
126.88097	1.5
133.06451	1.9
135.04405	58.5
135.05328	2.1
145.06503	1.7
155.56671	1.6
167.03354	9.5
283.06100	4.1
364.98080	1.8
415.11780	3.0
431.07513	6.6
533.08661	2.7
535.09937	2.4
549.11841	8.8
565.11023	2.6
581.14362	100.0
582.14630	5.0
586.68683	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1507
Annotation	Kaempferol 3-vicianoside
Peak:m/z	Relative Intensity
53.03927	0.5
55.01854	3.0
57.03431	4.6
59.04982	0.9
61.02906	2.5
67.12746	0.7
69.03429	5.9
69.28323	0.6
70.06569	1.4
71.04998	0.7
73.02901	3.4
81.03403	1.5
85.02905	11.9
86.09708	1.3
87.04458	1.0
88.11160	0.6
91.05478	1.0
97.02879	5.5
101.83076	0.6
105.03385	1.1
107.04926	2.4
109.02891	1.5
111.00862	0.9
115.03941	2.3
116.50599	0.6
121.02863	3.6
127.03923	1.8
133.04976	3.0
134.69444	0.7
145.04956	1.7
147.04350	0.8
151.87701	0.8
153.01831	2.8
162.58972	0.8
165.01852	1.8
186.92995	0.7
213.05434	1.6
249.14694	0.9
258.05170	1.2
287.05490	100.0
288.05847	1.9
303.04858	1.5
306.24121	0.8
307.48874	0.7
359.48608	1.0
370.51334	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1496
Annotation	Kaempferol 3-vicianoside
Peak:m/z	Relative Intensity
50.27389	0.6
53.03923	0.7
55.01858	1.6
57.03425	5.0
61.02912	2.2
61.39338	0.7
69.03414	4.9
73.02907	11.6
76.02220	1.6
77.99228	0.8
81.03432	1.1
84.04488	3.7
85.02898	11.1
86.09660	1.1
97.02892	6.7
107.08733	0.8
109.02856	1.5
113.44151	0.9
115.03956	4.5
121.02856	2.6
127.03886	1.9
130.05009	4.0
132.15242	0.9
133.04970	1.7
145.04984	1.7
147.07645	3.7
153.01794	5.6
163.83324	0.9
165.01855	1.6
167.64369	0.9
174.18036	0.8
174.55513	1.0
179.04843	1.5
213.05537	1.4
224.90434	1.0
244.47192	1.1
287.05475	100.0
288.05838	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03898	4.3
78.04688	7.1
79.05496	5.5
91.05458	7.9
91.71564	9.4
95.04943	8.0
101.35258	5.0
103.05469	18.9
104.01128	5.7
105.03414	5.2
105.07015	15.0
105.44070	4.6
106.04165	31.6
107.04948	8.9
115.05444	8.4
117.07082	4.8
118.04102	6.9
119.04902	6.0
121.06503	14.1
125.05980	6.8
131.04933	27.0
131.96692	5.8
132.05690	14.5
133.06487	22.1
135.04434	9.6
137.05997	25.8
145.06448	7.8
147.04439	14.3
149.05971	62.5
151.03860	7.2
153.05400	7.1
160.05109	5.3
161.05974	22.2
162.06737	6.6
163.07529	6.5
164.74385	6.0
165.05470	12.2
167.07077	20.7
177.05455	100.0
179.07062	8.2
180.07932	6.7
181.05019	10.6
189.05475	38.5
191.07056	13.0
192.07817	15.8
193.08601	5.7
195.51498	5.4
209.08043	6.4
215.07121	8.4
219.06573	15.3
301.26459	6.0
334.33099	5.7
353.10107	12.2
379.15579	9.0
581.19366	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	581.2352
Annotation	His Phe Tyr Asp
Peak:m/z	Relative Intensity
52.90899	1.2
58.91924	1.2
61.59554	1.5
65.82604	1.3
111.04211	2.8
130.21248	1.5
155.77286	1.5
159.04167	25.6
169.00813	1.8
239.63893	1.6
260.59158	1.6
372.70679	2.0
384.15793	2.6
492.40424	1.9
581.23480	100.0
582.23773	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	581.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51287	0.6
53.86545	0.6
56.43922	0.7
64.27119	0.8
81.07040	1.2
91.05473	3.7
94.04189	2.6
97.10547	0.9
107.04967	0.9
109.06535	1.5
117.94717	0.8
119.04916	2.1
122.03638	7.9
129.06166	0.8
131.04967	1.2
137.05966	100.0
138.06360	1.2
150.27986	0.9
151.07495	6.2
162.46683	0.9
163.07512	1.4
175.07545	0.9
179.06981	1.9
181.06526	0.9
213.09001	1.9
259.09656	1.5
277.08698	1.3
291.10117	1.1
305.12061	1.3
317.11697	2.2
335.12717	2.0
347.12485	1.5
349.14355	1.1
353.13995	1.7
361.14169	1.6
367.15271	4.3
379.15427	4.0
397.16473	2.1
473.19760	1.7
485.19666	1.3
491.20615	1.6
503.20609	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	581.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38088	4.1
54.95681	4.6
57.07061	5.2
59.55681	4.5
64.93147	4.6
70.09248	6.0
77.30989	4.4
90.06508	5.7
95.10386	5.9
120.82893	6.1
128.05937	5.6
196.37233	6.8
203.61642	6.8
291.11264	16.1
382.60367	8.1
408.49872	6.5
489.48517	6.2
574.94867	7.5
581.29742	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50640	5.6
57.07057	9.1
72.95265	6.8
82.07302	6.6
91.71638	14.6
100.15849	6.3
105.07007	6.9
122.09645	11.3
127.21057	7.4
137.09544	9.4
150.09148	30.5
151.09532	7.2
166.15692	5.7
166.79883	6.3
168.10320	8.0
190.10591	7.3
196.09727	24.9
197.09962	10.8
225.19666	6.9
287.12500	31.2
301.37146	8.8
317.20822	100.0
346.20120	33.5
347.20404	31.6
441.96185	7.5
563.33087	10.2
581.34357	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18959	2.8
55.86957	3.2
63.11819	3.1
67.91983	2.8
111.73683	3.4
128.54225	3.7
246.81650	4.2
263.57330	3.6
287.12476	39.9
304.25378	4.4
317.20831	100.0
581.34583	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18959	2.8
55.86957	3.2
63.11819	3.1
67.91983	2.8
111.73683	3.4
128.54225	3.7
246.81650	4.2
263.57330	3.6
287.12476	39.9
304.25378	4.4
317.20831	100.0
581.34583	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	17.4
55.05503	29.1
63.47365	7.9
67.05492	70.7
69.03409	13.1
69.07056	41.0
70.32395	10.3
79.05484	86.7
79.82433	9.0
81.07048	78.0
83.04965	13.9
83.08618	12.7
91.05465	95.6
92.16263	12.5
92.16841	9.0
93.07021	82.1
95.01326	13.0
95.04976	19.2
95.08588	54.1
97.06553	18.3
101.07583	10.0
105.07026	100.0
107.04932	19.3
107.08594	31.7
109.10165	18.4
117.07014	22.4
119.08566	65.9
121.10142	30.6
123.06142	11.8
131.08548	19.5
133.10121	48.9
135.11644	11.3
139.70073	10.0
145.10129	23.9
147.11601	24.1
179.01813	11.0
179.14311	16.8
275.20013	98.9
364.18564	12.7
581.41998	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	581.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09975	6.0
55.01869	13.4
55.05506	11.9
67.05501	50.1
67.05814	8.9
69.07062	100.0
79.05483	28.7
81.07045	51.6
83.08569	7.6
91.05470	33.3
93.07046	42.1
95.08620	19.9
97.06556	14.6
103.80951	6.2
105.07018	15.1
106.96878	7.2
107.04961	17.9
107.08580	15.6
109.06542	23.4
109.10141	9.6
109.27993	6.7
121.10152	24.5
131.08585	21.9
133.10127	11.4
135.11761	11.7
145.10146	10.2
149.09654	14.4
151.11203	12.6
155.44978	7.7
166.50592	8.5
215.07512	6.5
225.33031	7.3
288.14752	8.4
296.70746	8.8
331.55374	7.6
335.25858	24.3
428.70947	7.8
443.32059	9.8
548.32330	8.2
581.41852	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77026	3.9
55.05507	23.5
57.03408	8.7
58.20119	3.2
61.03851	3.2
61.67872	3.0
67.05502	54.8
69.07059	21.9
71.04996	3.3
79.05489	19.7
81.06664	4.6
81.07049	49.7
82.48081	3.9
83.08604	15.5
85.06545	4.3
91.05472	30.3
91.71700	9.1
93.07046	40.6
95.04951	4.6
95.08599	43.9
95.26601	3.4
97.06457	5.0
97.10134	4.4
105.07027	38.1
107.08598	16.3
109.10149	19.9
117.07011	18.6
119.08569	32.2
121.10165	13.6
123.11740	5.9
123.57021	4.4
128.06236	5.2
129.06981	25.6
130.06516	4.2
131.08531	23.5
133.10121	15.0
135.11685	7.0
140.94788	4.1
141.06985	8.3
143.08578	26.3
145.10126	24.3
147.11700	10.4
149.13322	7.9
155.08534	22.8
157.10129	26.8
159.11711	14.8
161.13266	9.4
167.08490	8.6
168.09430	5.6
169.10123	34.8
171.11649	21.4
173.13254	9.2
175.14812	6.8
181.10165	23.6
183.11685	19.3
185.13254	16.0
187.14824	5.5
193.09996	4.7
195.11708	13.6
197.13286	16.2
199.14810	14.0
207.11667	9.1
209.13342	14.7
210.08533	5.5
211.14821	12.1
213.16463	4.8
221.13287	11.0
223.14850	15.1
225.16356	11.6
235.14825	9.7
237.16432	7.2
239.17871	4.8
247.14760	5.1
360.84207	4.9
382.14548	4.6
391.30026	5.8
489.37027	19.6
507.38504	6.3
563.40491	19.0
581.41986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47476	3.7
55.05503	28.4
57.07074	5.3
57.42169	3.2
62.33883	4.0
67.05495	77.3
67.05825	5.1
69.07053	36.3
78.26200	3.9
79.05499	21.5
79.46992	4.1
81.07049	100.0
83.05040	5.1
83.08613	28.5
89.38291	3.8
90.38611	4.0
91.05475	23.0
93.07039	32.4
95.08596	85.0
95.09148	8.4
97.06533	9.1
97.10201	20.8
102.65739	3.8
105.07059	16.7
107.08620	14.4
109.10141	46.5
111.08109	6.0
111.11803	7.5
119.08622	14.6
121.10123	25.7
123.11777	14.2
131.08612	7.6
133.10143	22.0
135.11667	24.0
137.09680	9.7
147.11728	6.2
149.13321	9.0
151.11200	11.7
151.14949	5.4
161.13281	5.5
169.68161	5.5
187.14763	5.5
215.16174	4.4
215.18089	14.2
217.19537	11.0
233.19106	14.9
235.20708	19.2
251.20015	50.0
253.21715	6.9
266.15729	5.3
295.22964	4.8
318.66718	5.6
355.27036	4.8
414.07791	5.2
485.39725	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	581.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27275	5.3
55.05512	26.9
57.07080	8.0
67.05499	100.0
69.07061	32.2
74.27092	6.2
79.05508	32.0
80.41422	5.7
80.68037	5.3
81.07053	89.8
83.08640	22.1
91.05453	32.0
91.71612	7.9
93.07031	36.8
94.87665	5.6
95.08604	78.4
97.06563	9.5
97.10173	15.5
105.07056	17.3
105.79004	6.1
107.08627	26.9
109.10120	33.0
119.08599	16.1
121.10186	27.4
123.11687	11.2
131.08601	13.9
133.10188	20.3
135.11752	25.6
145.10176	19.4
151.11214	9.7
153.33450	6.3
185.77625	5.9
215.18004	17.9
217.19585	8.1
220.11018	7.3
222.26920	6.7
223.37328	6.3
233.19106	11.5
251.20163	12.2
262.15430	7.3
332.93896	7.1
467.38672	9.9
485.39792	40.4
503.41006	9.4
549.34851	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	581.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81573	9.1
55.05501	32.5
56.83335	7.8
57.03417	15.2
57.07070	66.1
67.05489	73.1
69.07053	32.6
71.04995	8.4
71.08615	50.2
79.05486	28.1
80.90550	8.2
81.07059	97.7
81.34258	9.6
83.08604	36.5
85.10175	25.2
91.05454	27.4
91.71646	18.1
93.07034	39.8
95.08595	100.0
97.10094	12.1
104.10754	55.1
105.07021	10.1
107.08606	28.1
109.10162	41.8
113.05904	11.1
121.10115	15.6
123.11684	14.8
133.10143	20.1
147.11742	13.2
174.50267	9.9
223.40269	9.5
233.19115	13.1
251.19952	12.1
307.22894	20.7
313.27298	85.8
325.23709	29.3
334.00092	11.1
371.59720	12.0
456.60327	12.9
545.45428	16.2
563.46674	28.5
581.47498	26.7
607.59912	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	582.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02408	2.0
58.99566	12.1
61.56073	2.5
70.06577	3.2
76.02221	80.0
76.03989	3.4
79.05486	2.9
81.02927	6.3
81.03407	100.0
81.42554	2.9
84.04501	21.3
86.99080	3.8
87.35541	3.0
91.05467	9.6
93.07053	4.0
95.81806	2.8
100.02148	3.3
107.82205	3.3
116.01655	17.6
119.08571	12.9
121.06533	4.3
130.05013	13.6
137.09653	9.3
142.03250	8.9
144.01169	11.3
158.81703	3.2
162.02193	28.4
165.09103	34.1
179.04848	53.6
202.33830	3.4
233.05928	12.6
239.12830	7.7
257.13770	5.1
276.30298	4.2
308.09088	61.2
546.83539	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	582.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92962	3.2
55.01867	3.7
55.05503	22.5
57.03415	14.2
57.07086	3.5
59.08746	3.7
67.05500	28.2
68.89887	3.2
69.03439	4.9
69.07062	23.3
71.01320	3.9
71.04610	6.8
71.04984	81.7
75.49522	3.4
79.05483	10.0
81.03436	5.5
81.07049	56.1
83.04975	48.2
83.08620	5.7
85.02895	100.0
87.04461	8.0
91.05491	6.0
93.07035	17.6
95.04955	7.5
95.08596	22.6
97.02876	6.8
97.06503	4.9
99.04432	19.3
105.07027	14.3
107.08566	9.9
109.02878	8.5
109.10159	4.3
111.04430	28.6
111.08140	3.9
119.08569	9.6
121.10152	11.8
123.11710	25.7
127.03943	6.3
129.05463	27.6
133.10164	8.8
137.13254	7.5
141.12729	21.8
147.06548	5.5
147.11655	5.0
151.07455	4.6
155.14333	18.1
161.13228	12.4
165.09125	5.3
175.14822	7.9
181.06866	4.1
185.13281	5.0
203.14372	15.0
205.64307	5.2
221.15355	28.3
225.11287	4.0
239.16377	24.4
241.21858	4.8
249.25638	5.1
257.17551	11.9
282.79001	4.9
349.19937	7.2
367.21005	5.5
493.35626	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	583.1237
Annotation	5'-Methoxybilobetin
Peak:m/z	Relative Intensity
58.20588	1.5
65.03925	4.7
73.97298	1.5
105.10429	2.0
111.04444	3.7
121.02862	74.9
137.02319	2.9
147.04396	3.2
153.01826	5.8
161.16698	1.6
191.48351	1.9
271.06076	7.2
431.03848	2.0
433.05542	3.6
447.07193	4.2
448.07770	4.4
500.40808	2.2
513.49854	2.0
551.09619	12.4
583.12341	100.0
584.12531	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	583.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17390	3.7
55.01883	6.4
58.22408	3.7
65.03933	6.2
79.05463	4.5
81.68119	4.6
89.03938	4.7
91.05476	29.0
91.87713	4.1
95.04979	7.3
102.04727	4.1
105.07083	5.8
107.04984	11.1
119.04939	26.9
121.06528	6.9
122.03690	7.3
123.04527	7.5
131.04973	6.2
131.26642	4.4
132.05756	5.6
133.02904	16.5
133.06523	9.3
135.04446	12.5
137.06047	20.4
142.14825	6.2
146.03636	8.9
147.04398	100.0
147.05487	6.8
149.02460	5.9
149.06047	11.5
153.05550	19.5
161.05869	9.6
162.06851	5.8
163.03963	12.9
165.05534	15.7
167.07065	5.9
170.03809	5.5
177.05544	19.6
178.06311	13.1
179.07011	69.2
189.05464	8.7
193.05000	8.3
195.06549	6.7
196.07384	5.2
205.05078	12.1
218.36986	4.8
219.06477	5.3
235.05942	6.9
256.58307	5.2
269.11749	5.8
281.08008	7.3
354.11227	5.2
357.09613	6.1
369.09741	9.4
372.12302	6.2
390.12830	7.1
397.71759	6.2
584.08173	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	583.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59635	1.1
55.02220	1.2
56.81880	1.0
59.56787	1.2
60.53824	1.1
61.16195	1.2
67.05475	3.8
69.07065	1.9
74.93457	1.2
81.07041	4.2
88.04322	1.3
89.03905	6.2
91.05460	2.8
95.08595	4.1
107.08592	1.5
109.10092	1.7
112.69518	1.3
117.03362	16.8
123.26514	1.3
124.57190	1.4
134.03661	2.4
135.04385	1.6
135.11772	1.7
136.68340	1.6
140.73027	1.5
145.02835	35.3
149.05981	8.7
158.05998	5.6
162.98499	1.4
166.86586	1.3
177.05450	100.0
186.05489	22.7
268.77600	1.4
279.22861	3.3
297.12265	1.9
321.34543	1.6
358.37003	1.6
502.60498	1.7
583.24982	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	583.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69334	9.7
55.05495	13.6
57.07053	19.5
61.29993	12.3
66.00380	10.8
67.05495	55.6
69.07047	26.2
71.08628	10.9
79.05489	21.8
81.07047	63.1
81.20702	14.2
91.05468	61.7
93.07031	54.5
95.08598	66.2
102.41926	12.8
105.07033	61.7
107.08623	33.8
113.88483	14.5
119.08592	51.6
121.10130	20.7
127.38564	12.0
129.07018	19.9
131.08549	34.0
133.10141	48.0
135.08047	14.9
143.08537	28.2
145.10081	29.9
147.11734	19.9
151.07600	20.6
156.09332	18.8
157.10147	31.0
165.09094	28.7
169.10094	16.4
171.11755	28.1
173.13191	23.9
183.11697	29.8
185.13208	25.5
193.10040	14.8
197.13220	27.0
209.13245	18.6
211.14677	18.9
221.15363	48.0
303.09079	15.7
330.19916	16.4
370.98093	15.5
565.41077	22.0
583.41901	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57559	6.9
55.05494	30.5
59.04999	8.2
60.25598	6.9
61.93364	7.7
63.88478	7.0
66.76472	7.6
67.05502	48.7
69.03419	13.1
69.07075	14.6
79.05482	26.0
81.07043	73.1
83.08607	16.4
91.05467	29.9
93.07038	61.1
95.04940	10.7
95.08595	79.9
97.06573	10.2
97.10147	14.1
97.55048	8.3
102.20872	9.3
105.07021	65.7
107.08592	23.1
109.06551	15.3
109.10151	21.8
111.11715	11.8
111.93010	8.0
113.43311	8.1
115.49110	9.0
119.08584	41.5
121.10155	44.1
121.68901	9.4
123.08067	28.5
126.22099	7.8
129.06995	20.6
131.08577	26.0
133.10127	30.2
135.11676	17.4
135.31023	10.6
137.09631	12.0
142.07892	11.0
143.08554	21.7
145.10141	37.5
147.07974	17.5
147.11708	22.0
149.87460	9.1
151.07581	26.5
157.10127	32.1
159.11650	21.9
165.09088	65.9
169.10103	13.9
171.11632	23.2
179.08505	11.8
183.11765	14.6
189.12761	16.8
194.10938	9.9
195.11638	19.6
197.13297	21.4
203.14374	16.2
206.77806	9.0
209.13133	18.2
217.30652	10.8
221.15366	67.6
228.63235	10.4
235.14987	9.4
274.80728	10.6
287.19788	9.9
375.27112	12.6
403.29910	15.4
439.15048	11.8
487.41641	12.7
565.40338	33.0
583.41254	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	24.2
56.30248	4.7
57.07053	9.7
62.46766	6.1
63.75656	5.0
67.05486	45.7
69.03429	8.2
69.07047	19.9
69.82803	5.2
75.02823	4.7
79.05477	26.8
81.07050	58.1
83.04977	10.3
83.08606	18.6
85.06548	13.1
91.05479	65.0
93.07036	64.8
95.04963	21.9
95.08626	41.9
97.06503	7.0
105.07019	100.0
107.08585	58.4
109.06458	6.2
109.10142	26.9
117.07018	22.7
119.08569	91.7
121.10104	43.8
123.08077	16.3
128.06227	18.0
129.06984	25.8
130.07741	9.9
131.08563	42.3
133.10104	43.6
135.08060	12.1
135.11760	11.4
141.07018	16.1
142.07779	40.2
143.08569	44.6
144.09383	10.7
145.10112	54.6
147.11658	17.7
148.17859	5.8
149.13272	7.1
151.07495	10.1
153.06924	6.4
154.07707	8.2
155.08559	16.5
156.09326	27.1
157.10095	61.2
158.10872	9.2
159.07990	7.8
159.11703	20.9
161.13248	9.9
165.09108	18.5
167.08578	14.4
167.10661	14.6
169.10110	29.0
170.10838	7.5
171.11673	27.8
173.11938	5.7
173.13293	34.4
179.08540	16.0
180.09372	8.7
181.10136	18.5
182.10941	7.8
183.11685	28.0
184.12537	8.6
185.13280	21.4
187.14824	6.1
189.12680	7.4
191.14253	8.7
193.10150	18.4
193.15392	5.9
194.10939	9.9
195.11687	22.0
197.13245	25.1
199.14822	13.6
203.14403	10.6
204.65067	6.7
206.10933	9.4
207.11749	27.9
207.13605	8.2
209.13243	20.5
211.14685	6.7
215.14604	9.1
217.15984	8.6
220.12444	7.4
221.13251	18.5
221.15398	26.6
223.14789	15.2
226.98586	6.1
233.13110	10.1
233.15239	6.4
235.14865	9.4
237.16350	11.2
239.17909	8.5
249.16302	9.0
257.18985	6.9
259.14923	6.9
265.19397	9.7
277.19501	8.7
283.20627	10.0
317.56284	7.2
331.24341	8.8
349.25232	11.1
383.82367	6.7
583.41522	47.0
592.33484	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	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55012	11.8
53.34133	12.6
54.67179	14.8
55.05502	16.9
64.63288	14.6
67.05482	53.8
67.19133	15.7
69.07056	30.0
69.35143	13.7
81.07047	59.6
89.06023	28.0
91.05466	51.3
93.07024	75.8
95.08614	44.7
99.90785	14.4
101.84637	13.9
105.07026	96.8
107.08602	34.5
109.10156	29.0
114.96670	17.0
115.05469	17.2
119.08559	100.0
121.10146	70.6
129.07019	23.8
131.08575	33.7
133.10136	36.1
142.07825	28.4
143.08569	49.2
145.10141	57.9
157.10144	42.3
158.52350	18.1
159.11703	27.3
165.09152	14.9
167.10686	19.8
169.10162	31.1
170.10902	22.6
171.11736	24.8
179.08588	27.6
183.11717	28.0
195.11719	27.8
197.13243	19.5
207.11626	20.3
209.13345	26.0
221.13260	20.5
221.15308	28.0
222.14085	17.8
249.16328	26.7
320.14612	19.5
397.07516	19.6
397.21143	20.1
586.82422	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	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57985	4.0
55.05496	20.8
56.64467	4.1
57.07059	12.7
59.04991	5.4
59.52057	3.9
59.66549	4.0
59.88952	4.4
67.05492	33.3
69.03423	9.4
69.07056	30.8
69.95724	4.2
79.05479	23.8
81.07040	62.2
82.68715	4.5
83.04971	14.7
83.08607	11.9
85.06539	9.1
91.05463	60.0
91.71032	5.0
93.07042	82.7
95.04947	14.7
95.08595	55.6
105.07021	100.0
107.08586	58.6
109.06514	9.9
109.10162	26.1
111.64661	5.3
117.07036	21.1
119.08578	89.6
121.10136	54.9
123.08076	15.8
127.99775	5.3
128.06227	21.0
129.07024	20.6
130.07817	8.8
130.49626	4.9
131.08551	46.9
133.10124	59.0
135.08037	12.8
135.11671	19.5
137.09613	20.0
141.06975	16.4
142.07768	37.1
143.08545	48.7
144.09337	9.6
145.10132	67.9
147.08044	17.5
147.11678	26.9
149.13283	11.0
151.07558	18.2
153.06943	6.0
155.08546	26.8
156.09348	23.1
157.10101	60.2
158.10851	9.1
159.11623	30.5
161.09608	7.5
161.13300	7.8
163.11137	11.0
165.06972	13.8
165.09128	32.0
167.08548	13.2
167.10663	9.7
168.09409	7.1
169.10103	30.2
170.10910	11.8
171.11658	35.6
173.13217	27.0
175.14819	13.9
179.08549	16.2
181.10112	21.7
182.10947	14.0
183.11649	40.1
185.13289	16.2
189.12628	6.4
191.14279	10.1
193.10173	20.5
194.10968	12.0
194.61656	6.1
195.11664	26.4
197.13258	25.0
199.14751	20.4
203.14333	15.0
206.10931	11.6
207.11736	18.7
208.12593	7.3
209.13292	23.4
211.14885	10.5
217.15848	7.0
221.13297	23.5
221.15421	49.0
222.14064	6.1
223.14967	7.1
233.13261	12.2
235.14891	21.2
237.16441	10.5
239.17957	7.5
245.13426	7.5
246.14087	7.0
247.14859	12.6
249.16376	10.0
251.18134	5.9
257.18961	8.8
259.14975	6.3
261.16455	7.2
263.18271	6.8
275.18033	12.6
283.20538	17.3
565.40302	11.7
583.41364	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
54.98434	2.6
55.05501	27.6
57.03423	16.2
57.07064	8.0
65.03919	5.7
67.05494	100.0
67.60824	2.8
69.07063	27.9
71.04977	4.0
75.59274	3.9
79.05484	68.5
81.07049	85.3
83.04947	6.5
83.08613	16.8
90.46656	3.5
91.05471	71.2
93.07032	97.4
95.04971	11.8
95.08602	71.8
97.06543	5.1
98.03626	3.2
105.07021	70.8
105.07697	5.9
107.08584	45.3
109.10139	22.6
111.08117	3.5
117.07012	26.0
118.06503	4.2
119.08562	51.7
121.10135	46.1
123.11721	5.8
128.06287	4.9
129.05614	3.6
129.07031	16.6
131.08560	33.1
133.10129	45.8
135.11702	20.7
143.08604	17.2
145.10094	35.6
147.11688	32.3
149.09650	3.8
149.13298	10.4
155.08545	6.8
157.10094	18.1
159.11652	24.2
161.13242	19.1
163.14844	6.1
166.77489	4.2
169.10066	9.2
171.11705	24.2
173.13251	21.9
175.14851	9.0
183.11649	10.6
185.13283	16.4
187.14859	9.1
193.76659	3.6
197.13336	7.8
199.14891	5.8
201.16444	4.4
209.13332	4.5
211.14836	7.0
213.16428	9.1
215.17992	7.3
223.14821	3.9
225.16338	4.1
237.34651	4.1
241.19620	12.5
257.19141	5.4
259.20630	23.6
302.48038	4.3
306.51358	4.1
307.22598	30.7
333.24194	16.5
335.26178	4.9
454.78220	5.5
491.38458	8.3
565.42059	4.6
583.43463	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	583.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05937	7.4
55.05492	38.5
55.94986	7.4
57.03414	14.4
57.07067	16.1
57.40754	7.4
67.05498	94.3
69.07054	33.8
69.24814	8.0
71.04984	7.5
78.79747	8.3
79.03522	8.2
79.05483	44.8
81.07037	74.1
83.08592	10.3
84.68620	7.7
91.05460	55.3
93.07038	64.2
95.08594	68.8
97.06568	8.8
97.10162	16.2
102.32404	8.9
105.07040	56.5
107.08592	27.4
109.10148	19.4
117.07047	18.7
119.08561	64.5
121.10157	27.2
129.07004	19.2
131.08577	36.0
131.28345	9.4
133.10126	60.5
135.11641	15.6
143.08556	25.7
145.10117	42.7
147.11693	36.0
157.10138	21.0
159.11661	25.2
161.13278	19.2
169.10147	14.1
171.11697	32.2
173.13211	16.7
183.11726	10.7
185.13229	21.5
187.14882	12.1
189.16542	8.3
189.79346	8.8
194.07695	9.0
199.14894	9.8
213.16367	19.9
214.54207	9.8
217.56013	10.3
231.17419	20.5
251.17989	11.1
361.90536	10.1
367.29999	12.0
380.33722	9.4
388.13092	10.5
583.43408	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54741	3.0
53.00286	3.3
55.01873	5.5
55.05509	31.7
57.03419	19.0
57.03659	3.1
57.07068	7.9
63.23360	3.4
65.03929	5.9
65.52973	3.3
65.78406	3.2
67.05496	100.0
69.07054	25.3
69.64587	3.9
73.04822	4.1
78.52084	3.5
79.05483	53.7
81.06599	6.6
81.07049	92.8
81.48499	3.4
83.04964	4.4
83.08598	13.8
83.79203	3.7
85.06540	9.1
91.05462	67.2
93.07034	76.5
95.04942	10.1
95.08583	68.8
95.09143	4.9
97.06517	8.1
97.10173	6.4
105.07015	69.6
107.08570	36.2
108.15388	3.8
109.06540	4.8
109.10133	26.5
117.07004	27.0
119.08560	53.3
120.73673	3.6
121.10111	34.4
123.11681	8.5
128.06219	6.5
129.06998	22.1
131.08562	47.0
133.10095	54.1
135.11694	21.3
141.07004	7.9
141.62296	3.9
142.07713	4.0
143.08530	32.8
145.10083	40.0
147.11676	39.4
149.09593	4.5
149.13223	7.8
155.08556	15.4
157.08966	5.7
157.10091	34.5
159.11649	27.8
159.79004	3.8
161.13268	14.4
169.10156	17.6
171.11679	32.4
173.13268	14.1
175.14838	6.5
181.10059	6.0
183.11729	14.8
185.13271	15.9
187.14839	12.6
189.16318	5.3
195.11684	5.7
197.13290	14.1
203.17987	9.8
211.14899	6.4
213.16380	23.5
215.18021	5.3
229.19275	6.3
231.17375	27.0
273.13214	5.0
305.21030	6.7
335.25754	13.1
491.39008	5.6
528.27057	4.7
529.73590	4.6
565.41785	9.2
583.43469	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	23.7
57.03428	16.5
57.07065	10.7
57.96331	7.7
67.05498	100.0
69.07064	29.2
76.75967	8.4
79.05492	66.4
81.07053	88.6
83.08633	13.8
91.05470	87.2
91.05941	7.2
93.07041	94.3
95.04992	10.2
95.08611	72.4
105.07026	63.8
107.08552	40.6
109.10174	16.0
117.07008	21.7
119.08570	45.3
119.54475	9.4
121.10185	39.7
122.32398	8.6
129.07068	16.8
131.08620	34.4
133.10130	47.4
135.11713	19.0
140.03484	10.2
143.08597	20.7
145.10138	29.4
147.11713	34.8
149.09732	10.4
151.03552	8.1
155.08597	9.6
157.10222	19.0
159.11723	25.2
161.13287	29.9
163.14937	8.6
171.11722	26.6
173.13272	20.0
183.11703	11.2
185.13324	13.9
199.14830	12.2
202.51877	8.8
213.16434	11.9
241.19623	19.0
259.20709	22.4
307.22815	28.1
333.24475	15.6
460.01459	11.2
565.42657	16.7
583.43500	79.9
610.12451	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	584.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46177	2.3
54.50313	2.6
56.05546	2.6
59.83062	2.2
60.93077	2.6
67.05502	14.3
69.03407	7.2
71.73259	2.5
75.41125	2.2
81.03403	5.1
81.07051	3.9
85.02892	7.4
85.15002	2.6
91.71732	5.9
93.05775	3.8
95.04939	2.9
97.02907	4.7
106.06544	30.8
107.04933	26.4
108.08111	100.0
109.02874	4.8
110.32222	2.7
113.89960	2.9
119.04913	4.0
123.06815	6.1
124.07592	19.4
127.03938	6.2
134.06001	20.8
136.07578	53.2
137.08304	3.7
147.04443	10.5
152.07056	61.5
177.10263	5.9
182.41885	2.9
184.09717	14.4
202.36581	3.0
212.92847	3.3
227.09291	4.1
234.67947	3.0
240.10265	14.8
241.11005	4.4
252.09952	3.6
270.11050	5.2
300.12363	10.8
506.16153	4.2
538.19055	4.6
552.17230	15.6
584.19672	72.1
600.36310	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	584.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.3
57.03426	4.8
61.02928	3.4
61.40723	2.4
63.91240	2.7
69.03429	20.3
69.07051	8.3
70.06552	2.7
71.04966	8.7
71.71310	2.4
73.02907	8.2
81.03409	17.8
81.07050	6.0
85.02896	76.5
87.42447	2.5
97.02889	33.0
97.03769	2.4
99.04449	44.2
103.03938	86.6
109.02884	14.9
118.99659	2.5
123.78722	2.7
127.03902	100.0
145.04950	53.8
161.70747	2.8
162.71033	2.8
163.05997	70.1
186.07587	3.5
187.05997	6.0
271.08069	8.1
289.09076	6.8
307.10223	20.7
319.49362	3.4
477.76297	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	584.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.3
57.03426	4.8
61.02928	3.4
61.40723	2.4
63.91240	2.7
69.03429	20.3
69.07051	8.3
70.06552	2.7
71.04966	8.7
71.71310	2.4
73.02907	8.2
81.03409	17.8
81.07050	6.0
85.02896	76.5
87.42447	2.5
97.02889	33.0
97.03769	2.4
99.04449	44.2
103.03938	86.6
109.02884	14.9
118.99659	2.5
123.78722	2.7
127.03902	100.0
145.04950	53.8
161.70747	2.8
162.71033	2.8
163.05997	70.1
186.07587	3.5
187.05997	6.0
271.08069	8.1
289.09076	6.8
307.10223	20.7
319.49362	3.4
477.76297	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	584.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	32.4
57.03423	8.1
57.07061	7.7
67.05215	3.9
67.05501	40.9
69.07054	45.0
69.41892	3.7
69.84292	4.1
71.04970	7.9
71.08641	4.7
73.41965	4.3
76.45159	4.6
79.05479	14.1
81.07050	50.0
81.37016	4.2
83.08610	41.0
85.02901	11.0
93.07045	16.0
93.71775	4.7
95.08595	45.6
97.06517	9.7
97.10183	24.6
97.24502	4.4
98.13465	4.8
102.83714	3.9
105.07058	6.2
107.08600	15.4
109.10133	17.3
112.72966	4.1
117.05557	4.6
119.08573	7.8
120.08082	6.0
121.10152	16.6
123.11727	8.3
133.10152	5.1
135.11705	18.3
137.13336	6.9
139.11205	4.6
147.11685	5.0
161.13202	10.6
217.19507	6.4
235.20589	12.6
253.21629	6.9
309.23987	7.3
327.25281	55.8
387.27322	100.0
495.55054	5.2
553.14978	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	585.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78143	3.1
60.98731	4.2
70.06578	6.0
71.04990	4.0
79.05447	7.9
81.03413	30.6
84.81183	3.7
91.05487	6.3
95.04945	5.9
100.57056	4.7
104.43520	4.0
104.90553	4.1
107.04971	14.7
117.07104	4.0
119.04897	7.0
123.04467	7.4
131.04939	9.4
133.02763	6.8
137.05981	7.0
138.03105	7.1
141.03261	4.4
145.06496	7.3
146.03596	12.7
147.04453	13.6
151.03848	4.8
153.05460	100.0
163.03877	6.0
165.05481	8.2
168.07811	16.6
173.05980	18.5
176.04686	15.3
177.05507	9.3
178.06259	15.7
181.04887	5.4
191.07053	35.2
194.85536	4.6
196.07338	6.0
203.07028	22.7
221.08063	5.5
229.04968	5.8
238.69591	4.9
240.04225	7.3
245.29677	5.6
250.06241	5.8
255.06538	19.6
257.04413	4.9
258.05374	5.5
272.06769	7.9
273.07590	10.7
278.05844	4.9
285.07565	9.1
301.07043	61.3
304.07016	5.8
325.10580	8.9
351.99158	4.9
371.11359	9.1
457.91949	5.6
478.12659	9.1
496.13663	23.9
510.56448	5.5
521.54974	5.3
585.15802	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	585.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22019	3.9
53.76703	3.8
56.77378	3.7
56.95685	3.8
56.96337	6.4
56.96561	59.9
77.11818	4.7
84.96009	6.6
87.55660	5.0
97.99139	5.9
98.97572	100.0
104.82031	5.0
112.99142	23.7
116.98642	37.5
118.16606	5.0
131.00150	38.9
134.99637	9.6
140.00185	67.2
149.01245	24.5
154.01756	50.9
158.01274	19.5
158.99628	28.8
161.01221	5.8
162.16516	5.2
162.40105	6.0
166.01768	7.4
172.02795	35.5
177.00656	25.8
181.02824	16.0
182.01321	6.1
184.02904	9.0
191.02229	5.7
195.04437	21.9
198.86246	5.8
199.02692	13.4
200.02267	59.3
207.04434	7.9
213.05550	6.4
214.03850	7.7
219.01822	5.6
219.99608	7.8
265.66492	6.3
275.04355	17.9
289.14722	51.1
293.05261	27.3
307.15747	30.9
316.07040	54.6
330.17413	83.5
334.08011	17.9
349.16739	21.1
363.18289	6.4
371.20023	7.7
525.23798	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15604	3.8
50.15862	4.1
50.77668	4.0
56.96304	6.5
56.96561	76.9
59.38840	4.6
71.43156	4.5
84.96032	6.3
87.94867	4.8
97.98424	5.8
97.99119	7.6
98.97575	93.8
112.99110	27.8
116.98618	38.0
130.79254	4.7
131.00154	41.7
134.99649	9.4
140.00183	66.1
143.00211	6.6
146.99615	5.7
149.01207	28.8
154.01727	45.6
158.01237	23.2
158.99646	42.5
161.01123	10.0
171.86414	5.7
172.02792	38.1
173.01198	8.5
177.00754	25.3
181.02901	18.3
184.02762	10.0
185.01305	7.1
195.04384	26.2
199.02747	11.5
200.02324	64.8
214.03923	8.3
215.02348	7.2
217.03906	8.3
217.73877	6.1
219.01823	12.8
240.05505	8.1
266.83444	5.7
275.04517	10.0
277.55945	7.6
289.14713	62.4
293.05383	35.5
296.25674	5.9
307.15756	30.3
316.07056	57.2
330.17331	90.5
334.08057	17.9
335.13403	6.3
349.16934	20.4
379.84760	7.2
469.20682	9.9
525.23779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	2.4
55.05507	31.2
57.03424	14.8
57.07060	9.8
65.37147	2.8
67.05498	100.0
69.07063	30.7
71.04968	4.2
74.00789	3.1
77.03923	3.0
78.74092	2.8
79.05489	41.5
79.28257	2.8
81.07049	94.7
83.08591	21.5
84.18984	3.0
85.06525	6.1
91.05475	47.7
93.07038	64.3
95.04965	5.9
95.08037	5.9
95.08603	74.3
97.06544	4.0
97.10155	5.6
99.08114	5.4
102.66824	3.5
105.07024	41.5
107.08589	41.0
109.10146	36.8
117.07018	17.4
119.08578	42.8
121.10140	33.6
123.11655	17.6
125.09628	3.8
129.07022	8.1
131.08566	36.5
133.10130	36.7
135.11679	30.0
137.09651	4.3
143.08580	12.1
145.10104	33.5
147.11664	30.0
149.13271	15.5
157.10127	15.0
159.11697	26.7
161.13229	17.0
163.11279	3.6
163.14873	5.3
171.11722	13.5
173.13188	18.8
175.14806	10.1
185.13196	7.9
187.14691	5.8
189.16431	4.4
197.13391	5.2
199.14888	4.1
201.16423	4.1
203.17900	4.0
213.16351	7.6
215.17989	14.7
231.17429	7.7
233.19017	8.7
241.19620	5.8
259.20532	5.0
261.22018	6.4
262.41678	3.5
303.90359	3.7
307.22610	16.3
309.24258	4.8
335.25754	8.8
337.27341	6.4
344.76270	3.8
348.28812	3.5
474.49234	4.0
493.40598	5.4
567.43945	9.9
585.45123	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	585.451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80225	19.3
55.05500	37.2
65.85647	19.1
67.05487	83.3
67.64456	21.2
67.86523	20.4
69.07045	28.4
79.05469	42.4
81.07043	100.0
83.08614	26.8
89.06007	59.1
91.05464	58.3
93.07031	72.4
95.08614	88.1
105.07030	81.1
107.08615	35.6
109.10164	29.5
119.08570	52.1
121.10169	58.8
131.08601	46.7
133.08612	32.5
133.10117	31.8
135.11728	31.6
137.48898	25.1
143.08530	42.5
147.11653	26.4
157.10068	38.7
159.11690	27.1
171.72560	23.7
182.89954	26.3
185.13373	32.6
281.67505	30.1
511.69241	28.4
585.45398	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47425	11.0
55.05502	19.7
56.29910	11.2
57.07068	16.3
67.05492	72.7
69.07052	33.5
71.18951	12.3
74.59557	14.5
79.05483	40.7
81.07051	100.0
83.08621	21.8
89.06020	48.5
91.05463	52.1
93.07036	33.4
95.08593	44.3
97.67395	16.8
105.07033	56.3
107.08572	20.4
109.10144	30.4
119.08583	39.9
121.10162	36.0
129.07011	13.5
131.08568	22.9
133.08636	18.4
133.10138	51.9
135.11717	18.6
137.61349	14.1
145.10101	20.7
147.11673	31.3
153.58821	14.5
157.10080	22.2
159.11725	17.0
213.16377	17.4
231.17429	34.3
362.72842	16.1
447.47754	16.9
464.50107	20.7
521.25458	15.3
585.44824	65.0
585.56458	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	585.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69114	5.4
55.05490	27.6
57.03419	12.5
57.07045	7.4
67.05495	97.5
69.07042	30.8
79.05467	44.3
81.07046	100.0
83.08591	21.7
85.06522	7.3
89.06022	12.1
91.05470	45.1
93.07036	81.1
95.08593	83.8
97.06510	8.8
105.07045	45.3
107.08584	53.2
109.10143	39.1
117.07014	20.3
117.89564	7.2
119.08613	38.7
121.10151	43.6
123.11723	11.4
129.07039	12.1
131.08572	27.2
133.10132	36.6
135.11681	14.8
143.08553	13.1
145.10133	37.5
147.11668	24.7
149.13222	18.3
157.10072	11.8
159.11685	27.5
161.13164	12.2
169.10027	8.4
171.11606	11.8
173.13254	21.1
185.13237	9.7
187.14848	11.5
190.06435	6.3
199.14717	7.8
212.20166	7.5
215.17923	13.9
231.17232	6.7
261.22308	7.3
309.24249	9.1
316.71616	8.0
335.25635	9.4
446.78812	7.8
474.35623	7.7
567.44427	11.7
585.45184	97.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
63.88908	2.7
68.81361	2.6
71.42714	2.8
85.06529	6.6
90.05543	48.9
98.02417	4.2
116.03416	4.4
124.07650	4.8
137.05980	21.3
142.08633	5.8
144.95673	3.2
146.06027	8.7
150.54886	3.2
184.09622	5.0
188.07053	11.2
202.10738	12.9
205.09724	6.2
220.11774	100.0
263.41895	3.4
307.81705	3.8
314.51175	3.4
320.10254	3.5
347.06024	4.3
515.99048	3.8
591.58374	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	586.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.38173	1.2
56.01617	1.1
57.03426	3.4
60.04505	1.7
61.02905	5.9
69.03421	23.1
70.98118	1.5
71.04979	6.8
73.02906	8.9
73.04102	1.4
81.03412	15.5
85.02897	81.4
87.04477	2.6
91.03947	2.8
91.71682	2.3
96.27036	1.7
97.02883	33.0
99.04451	42.3
103.03935	82.5
109.02870	17.7
113.49367	1.7
115.03915	2.3
119.04972	1.6
126.63731	1.7
127.03909	100.0
135.59012	1.4
139.00172	1.5
145.04955	59.2
150.65950	1.6
163.06006	63.9
168.06639	1.7
169.10060	1.7
178.82906	1.7
181.80635	1.6
181.86000	1.7
186.07623	4.5
187.06029	2.4
188.98523	1.7
223.55556	2.1
261.30655	2.0
271.08136	8.5
289.09198	8.3
302.75977	1.8
304.07455	1.7
307.10239	21.9
386.41583	2.3
492.06329	1.7
586.28766	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	586.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	37.7
64.34737	2.8
66.29658	3.0
68.88750	3.0
71.08625	28.2
73.06548	6.9
73.36724	2.6
79.57697	2.7
83.23037	3.1
85.10153	24.1
89.06020	100.0
89.30675	3.5
93.19768	2.7
96.47759	3.4
97.10170	4.3
117.09116	5.8
126.14919	3.4
129.79964	3.2
130.08636	11.9
133.08591	47.4
148.18332	3.8
177.11148	17.9
221.13919	6.5
243.23093	7.4
268.40683	4.0
309.88474	3.9
359.95947	4.2
412.62335	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	586.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	45.3
56.05030	17.3
57.07056	36.3
59.12954	12.8
60.04504	27.9
67.05492	74.5
67.06002	13.8
69.07047	49.9
71.08611	49.3
79.05459	33.7
81.07035	100.0
82.06563	68.6
83.08582	32.6
85.65610	18.0
91.05478	61.8
91.71050	28.8
93.07029	54.0
94.06554	62.7
95.08599	90.8
95.33095	21.0
96.08157	33.3
105.07016	28.9
107.08588	23.4
108.08084	38.4
109.10153	27.3
119.08548	22.6
124.43641	19.7
133.10201	23.8
145.10139	25.3
174.84702	21.9
183.37170	20.9
217.06573	20.4
266.24707	24.3
269.26147	22.8
272.25803	30.0
278.24780	44.0
279.23077	26.8
296.25702	45.3
500.62500	22.6
540.79681	26.2
568.47968	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	587.167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.10473	2.9
59.57381	2.8
92.19964	3.0
94.50320	3.8
111.18530	3.6
119.01956	5.1
124.02489	3.8
131.01956	4.0
141.38707	4.1
143.01941	10.1
155.01875	67.7
155.02963	5.3
158.66330	3.6
161.03058	5.9
173.02927	44.8
184.04616	16.6
185.02988	14.3
193.12361	3.5
195.16870	3.5
196.04546	100.0
199.76419	3.6
215.04204	3.7
223.54475	3.3
226.05687	14.9
229.52631	4.1
245.05060	67.3
257.05215	6.6
275.06000	5.4
305.07111	71.8
305.10199	6.0
316.08801	3.9
346.09985	5.2
347.08395	6.9
407.10266	41.5
509.96066	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	587.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18750	3.1
53.06544	4.2
53.37678	3.8
63.25962	3.3
87.59134	3.7
98.86943	4.4
131.01860	5.7
142.03598	7.7
143.01926	12.2
154.03537	6.4
155.01875	71.6
161.02948	9.0
161.89285	4.6
165.05064	6.0
173.02971	60.0
175.11978	5.3
184.04559	17.9
185.02985	15.4
196.04538	100.0
208.04427	5.3
215.87724	5.3
245.05032	84.9
305.07098	78.2
322.85385	5.0
346.09705	5.9
347.08206	11.1
407.10370	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63321	0.4
56.05022	0.9
56.53580	0.4
56.96550	0.8
68.39111	0.4
70.06586	2.5
71.04987	0.5
72.08165	0.5
74.12756	0.4
81.03417	0.5
81.04536	0.5
83.04951	1.6
83.05727	0.4
83.06102	5.6
84.04452	0.7
85.02899	4.4
86.09691	1.4
93.04530	4.6
95.01337	0.6
95.06105	1.1
97.02877	0.4
98.97556	0.5
99.84004	0.4
110.07158	100.0
111.04461	0.6
114.05576	0.5
116.98611	0.5
120.08099	4.2
121.03929	0.4
133.06090	1.8
138.06587	0.5
141.01773	1.2
166.06293	0.7
173.05655	0.5
190.08131	0.6
201.03949	0.9
209.10234	0.6
212.11797	1.3
222.89604	0.5
223.11873	1.4
233.10307	0.8
251.11371	14.8
251.13933	0.9
257.13925	1.2
274.47861	0.4
285.13486	1.8
324.14893	0.5
337.15082	0.7
351.05002	0.5
361.10410	0.4
370.18835	1.0
398.18097	3.4
455.20349	1.0
474.21307	2.0
569.24213	1.0
570.23383	0.5
579.75562	0.5
587.25574	7.3
608.29816	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	16.0
79.05453	6.7
81.07063	5.2
84.51864	5.1
91.05469	25.7
93.07033	18.6
94.78550	4.8
94.79175	5.7
95.04946	11.5
96.28416	5.1
98.13949	5.3
103.05460	24.7
105.06994	7.5
106.04191	6.2
107.04962	7.7
112.70172	6.3
117.03375	10.5
119.04994	6.1
121.06503	6.3
131.04922	15.8
131.08572	14.7
135.04408	7.6
137.05968	38.7
141.08600	6.2
145.06516	6.2
145.10164	7.5
148.85498	5.7
149.05989	20.5
159.06850	7.1
159.08034	10.4
166.43922	6.4
173.09715	7.1
177.05461	100.0
189.05461	8.3
215.14241	11.0
216.15129	8.3
217.15747	5.9
277.04504	6.3
421.60147	7.2
511.92435	6.7
565.94592	7.3
587.25653	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	587.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48827	8.1
59.11485	9.5
65.75620	9.5
83.04932	13.4
87.99744	10.2
91.05476	16.4
95.04968	11.7
105.07023	100.0
119.94859	13.0
131.05019	22.1
133.06487	85.5
137.06010	35.3
159.08058	23.6
161.05954	88.6
165.36794	12.9
183.33839	11.8
187.07532	57.2
205.08600	36.0
241.12408	14.5
273.62204	12.2
347.91714	14.8
365.17563	72.0
582.92981	15.7
591.13489	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	587.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07087	8.5
61.61957	4.3
63.37774	5.2
66.83092	6.1
78.34882	5.2
79.05487	6.9
80.45580	5.3
81.07059	7.3
82.95940	5.2
91.05488	14.2
93.07053	10.2
93.23695	4.7
95.05027	6.4
95.97036	5.3
103.05481	27.5
104.35886	5.8
105.07034	10.7
105.70870	6.2
106.04181	9.4
117.07076	8.1
118.06629	6.4
121.06546	9.7
129.06993	6.4
129.75168	5.5
131.04984	14.0
131.08562	6.3
143.08553	7.7
145.06621	5.9
149.06041	25.1
150.94514	5.8
177.05447	100.0
193.05116	7.1
230.76515	6.5
231.13860	23.4
271.47134	6.7
393.20462	8.7
572.00629	6.6
587.26373	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28193	5.5
55.01872	11.6
57.07081	13.1
73.37746	5.5
91.05470	33.4
95.04970	15.7
103.05489	11.5
105.07064	19.8
107.04995	7.3
112.21106	6.5
115.05535	7.5
119.04971	29.6
122.03613	7.6
125.06036	6.9
127.97015	6.1
130.04190	10.2
133.06503	15.1
135.04434	11.5
137.05971	100.0
147.04463	29.4
147.08076	10.3
149.06062	9.5
150.06775	9.5
151.07591	13.8
155.08565	7.4
160.48347	7.0
161.06004	16.6
162.06790	34.3
171.08046	13.6
175.07597	7.3
177.05516	11.3
179.07086	10.1
183.94417	7.3
188.04736	7.1
199.07581	9.1
203.07101	26.1
224.08098	8.1
233.23018	7.7
244.99635	7.3
245.06102	7.2
255.13675	14.6
265.44678	7.1
267.13925	28.1
291.70441	6.9
307.09772	17.1
322.71289	8.1
327.12192	13.7
343.84097	7.8
349.08609	8.7
362.61905	8.1
372.17825	8.6
610.10413	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	587.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	3.6
59.15834	3.6
62.06624	3.7
67.05522	4.4
69.03410	5.6
69.07065	4.6
71.04977	12.5
72.08154	10.7
79.33282	3.4
81.03413	3.9
81.07047	7.0
84.04504	10.9
87.98762	3.8
95.08581	4.1
96.04500	61.6
97.02880	6.3
98.06071	7.9
99.04429	6.2
103.63152	3.9
103.76475	4.2
105.43881	3.7
109.02905	5.0
111.71441	3.9
126.05505	100.0
144.06552	96.9
166.08629	66.6
196.09688	21.4
214.10703	47.5
232.11755	52.0
239.11342	4.6
269.73032	4.8
279.01468	4.0
329.77399	4.2
332.30478	4.1
465.89554	5.0
599.41571	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	587.467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	30.5
57.07069	19.3
64.07352	11.6
64.80309	12.3
67.05489	100.0
67.28400	11.0
68.84352	13.1
69.07053	35.5
79.05480	19.3
81.07037	91.0
83.08619	20.2
90.18911	13.1
91.05479	32.8
93.07063	48.7
95.08598	70.8
98.37498	14.1
105.07030	37.9
107.08571	28.4
109.10181	19.9
119.08530	36.5
121.10131	29.8
129.85420	16.1
130.49661	13.1
131.08545	17.9
133.10107	17.8
145.10098	14.9
159.11684	21.7
184.26231	14.6
192.68925	16.0
243.25352	18.1
303.09241	17.0
533.15265	19.8
579.09924	19.2
587.46143	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95199	23.6
53.27922	19.6
53.80587	19.6
54.76761	17.9
55.05499	26.8
56.23035	18.7
64.40565	19.0
67.05483	100.0
69.07040	29.1
74.69761	19.5
81.07040	88.2
82.66231	23.5
90.95757	20.9
91.05473	39.8
93.07018	43.3
93.92801	22.5
95.08584	81.3
96.47819	22.5
98.06315	20.7
105.07000	32.5
107.08591	36.0
109.10155	30.2
119.08562	29.9
119.84949	22.5
121.10141	24.2
121.46745	22.3
133.10164	35.1
135.11732	33.2
147.11649	30.9
311.59888	24.9
411.97418	29.5
587.46472	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	587.488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	40.5
57.07055	14.9
63.84111	2.7
64.24132	2.8
67.05495	68.5
69.07059	85.9
71.04974	5.8
71.08611	7.5
79.05475	12.2
81.07046	99.5
81.07526	6.0
83.04989	2.7
83.08609	65.9
85.06522	4.2
85.10180	5.6
91.05471	16.9
93.07028	22.5
95.08599	100.0
97.06509	8.1
97.09566	6.1
97.10155	51.8
99.08102	4.0
104.17361	2.7
105.07028	12.1
107.08602	15.5
109.10146	53.8
111.11704	19.2
119.08578	12.7
121.10145	22.9
123.08068	3.1
123.11698	26.0
125.13258	12.0
133.10147	13.0
135.11665	15.4
137.09613	5.0
137.13251	12.9
139.11171	8.4
139.83989	3.5
147.11676	10.7
149.13257	3.0
151.11130	5.0
151.14824	5.4
161.13231	7.4
175.14828	3.3
179.14314	3.5
193.19563	4.0
217.19545	21.5
235.20555	32.5
239.23752	4.8
253.21582	26.1
257.24750	18.5
271.22690	4.5
509.45398	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	587.488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34346	2.1
52.34143	2.5
55.05503	41.8
55.05751	4.9
57.07068	21.3
67.05496	66.7
69.07059	100.0
71.04967	8.9
71.08624	6.3
76.96297	3.3
79.05479	9.7
81.07050	90.6
83.08607	65.7
85.06524	4.3
88.73241	2.6
91.05463	12.5
93.07028	21.3
95.08598	83.5
96.96593	2.6
97.06520	8.7
97.10165	66.7
98.60222	3.1
99.08111	4.7
105.07026	14.8
107.08558	15.7
109.10152	49.3
111.11694	25.8
111.24513	3.2
119.08558	14.2
121.10137	26.3
123.11665	22.3
123.37798	2.9
125.09662	3.7
125.13277	12.2
129.85674	3.2
130.27597	3.1
133.10147	16.0
135.11687	28.0
137.09544	4.1
137.13258	7.8
139.11212	6.9
147.11722	14.7
149.13286	9.1
151.11153	4.8
151.14836	11.8
153.12694	6.6
154.57365	3.0
157.12172	3.6
161.13174	16.5
165.12733	7.7
175.14809	5.8
177.16306	3.3
179.14319	6.2
217.19499	35.5
231.99701	3.3
235.20543	41.7
239.23630	3.4
253.21584	86.8
257.24670	30.6
271.22693	53.2
347.04016	3.0
444.89352	3.4
474.08078	2.9
521.90131	3.6
551.28296	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	587.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05253	4.4
55.05503	43.6
57.07063	14.5
61.53143	2.8
62.52354	3.0
67.05494	61.1
69.07055	74.5
71.04984	8.4
71.08598	4.8
79.05470	14.2
81.07043	100.0
83.04981	5.5
83.08604	61.0
85.06519	7.9
85.10177	3.2
91.05477	17.7
93.07040	15.2
93.62914	3.4
95.08598	86.6
95.09160	6.9
97.06501	7.7
97.10154	50.2
99.08076	4.8
105.07029	13.0
107.08595	10.9
109.10139	50.0
111.11722	12.9
119.08587	12.8
119.40348	3.7
120.32492	3.2
121.10133	25.3
123.11707	24.1
125.09605	3.4
125.13258	10.1
133.10146	13.9
135.11688	25.8
137.13235	11.5
147.11723	12.6
149.13203	5.6
151.11145	4.6
151.14819	7.3
161.13301	7.5
176.15482	4.5
217.19496	22.6
235.20593	27.2
239.23706	6.0
245.35902	3.7
253.21567	18.6
257.24704	22.4
257.49918	3.8
271.22729	4.9
327.92474	4.0
337.90393	3.9
491.44479	4.4
509.45639	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	588.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08968	0.8
55.75008	1.0
56.05027	3.4
56.60371	0.8
67.00079	1.1
70.06580	8.4
76.02221	1.7
79.80375	1.0
84.04492	3.1
84.08136	100.0
85.04026	3.1
85.08421	0.9
86.09690	2.2
88.03981	2.1
91.05469	3.4
101.10783	2.5
107.04935	2.1
116.07194	1.4
119.04954	3.4
127.03949	2.3
129.10237	85.3
130.08661	1.6
131.04858	1.2
135.06813	2.4
136.07567	20.2
136.08548	1.7
146.06007	6.8
147.11290	2.4
160.07584	1.8
161.05634	1.1
162.02264	1.3
179.03383	1.3
183.14954	1.8
188.07016	2.3
191.08156	1.7
206.08121	1.3
221.92719	1.0
251.10214	4.1
283.01086	1.1
292.16675	3.7
310.17584	7.7
407.19250	1.4
440.77255	1.2
473.23740	2.2
588.26978	6.7
611.40698	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67126	2.2
53.68800	2.6
56.05022	2.9
60.04510	2.7
60.05628	9.8
63.75289	2.4
66.29875	2.1
69.03397	5.2
70.06575	7.6
72.08147	41.2
72.90025	2.4
72.93353	2.8
79.81427	2.8
80.04987	3.5
81.03407	5.3
84.04495	32.6
85.02887	3.2
88.88645	2.5
96.04488	12.9
97.07671	3.0
98.06039	12.7
102.05519	17.2
109.02898	3.9
113.91046	2.9
114.10309	26.0
116.07103	7.6
126.05527	24.5
131.12929	16.4
134.12981	2.4
138.05495	100.0
143.19495	2.9
144.06558	22.8
168.06569	19.0
172.07213	2.8
183.11308	5.5
186.07605	16.1
208.10828	3.2
225.13437	7.7
301.13992	10.2
420.23447	3.0
588.29803	81.0
589.29956	6.0
615.51575	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	588.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65016	0.8
51.65295	0.8
55.05501	7.0
56.05033	0.9
61.09945	0.9
64.13729	1.1
65.86002	0.9
67.05482	1.0
67.14877	0.9
69.07045	4.9
70.06582	3.0
72.08146	100.0
84.04494	24.7
84.04990	1.1
85.02907	2.2
86.09698	52.3
97.02866	1.4
102.05534	22.0
103.03931	1.3
107.48692	1.0
115.02657	0.9
118.08649	5.7
120.73009	1.1
127.03941	2.5
129.06592	7.1
130.04958	1.4
131.19699	1.2
133.91805	1.1
170.11765	5.6
183.11246	9.1
185.16458	1.4
197.12833	7.1
201.12285	8.4
215.13878	28.9
215.15802	2.1
225.12326	1.7
229.11812	35.2
229.14098	2.3
243.13397	19.6
247.12761	5.3
296.19635	3.0
300.65338	1.1
324.18961	6.0
342.20029	6.7
346.19730	7.5
471.24332	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	589.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	34.4
59.47740	4.2
63.55844	4.5
75.73158	4.3
76.77560	5.0
79.05505	9.8
85.06531	14.4
91.05455	15.3
91.70980	5.8
95.04978	5.9
95.08579	7.1
97.02914	8.6
105.07020	8.1
107.04976	10.5
115.05458	6.9
117.07054	8.1
117.92126	5.1
121.06446	6.1
125.05982	58.0
129.06966	11.8
131.04929	8.3
131.08521	5.9
135.04413	100.0
135.08052	7.7
143.04964	5.9
145.06480	23.1
149.02364	6.4
157.06496	5.6
159.08038	18.4
161.05978	14.0
173.05995	27.5
173.09511	6.3
185.06015	18.3
187.07544	32.3
203.07140	8.4
211.11182	6.7
226.00551	6.4
229.12271	31.4
230.12901	9.6
231.13824	23.6
245.11693	10.9
353.10153	17.1
504.72968	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	589.265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91865	2.4
59.99471	1.9
66.03592	2.1
70.06584	4.6
73.50707	2.2
85.02934	2.1
86.09700	3.2
90.96505	2.1
91.71632	3.7
124.07609	7.6
125.87177	2.9
138.09160	20.0
159.08754	2.7
164.10701	3.8
200.09319	3.8
201.06506	5.4
202.07277	5.0
213.10365	4.3
214.10962	4.2
215.08141	4.7
217.09785	5.2
229.13274	5.7
230.73624	2.6
241.09811	7.5
242.10522	6.1
257.12796	6.7
261.08728	40.4
269.09384	2.9
273.12411	8.6
275.31659	2.8
283.10883	3.7
287.10263	32.7
300.10925	5.0
301.11795	94.9
315.09842	10.2
406.17682	6.2
408.19379	3.2
424.18268	3.4
434.17133	5.5
452.18140	100.0
589.26447	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05514	2.2
60.67382	1.8
63.99544	2.0
69.07054	4.5
76.02228	2.3
76.74244	1.9
79.05493	2.6
80.73104	2.0
81.03402	6.8
81.07027	3.6
91.05465	2.9
91.99484	2.5
97.12746	2.4
119.08593	2.8
138.09140	5.0
164.10725	8.8
164.54158	2.3
165.09052	3.1
183.10181	6.0
184.10507	3.2
201.06674	3.4
202.07333	5.9
214.10997	3.1
217.09688	5.4
241.09729	2.8
245.09160	24.0
261.08679	57.1
270.00528	2.4
285.09036	3.6
287.10303	5.6
289.54764	2.7
301.11816	27.5
338.08987	2.3
366.14713	2.8
378.17892	3.4
406.17596	5.3
452.18106	100.0
452.24411	5.5
517.12408	3.0
589.26575	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	589.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60169	3.0
68.26094	2.9
69.07071	3.3
87.30559	3.5
94.06561	4.3
108.08149	4.3
119.54589	3.6
122.06080	6.2
124.07626	22.2
136.07607	5.2
138.09145	19.4
164.10704	11.6
181.09758	11.5
192.10139	5.2
212.10663	6.0
218.08122	6.9
228.10208	8.6
230.12033	4.7
240.10201	9.2
241.09828	6.5
244.09711	8.5
257.12799	6.7
258.11197	45.7
260.07904	4.7
261.08704	19.4
276.02478	3.5
283.10867	5.3
287.10260	23.7
301.11786	63.1
315.09775	7.2
353.18695	10.6
358.73291	3.7
363.17001	15.5
381.18076	52.1
384.41476	4.1
388.47269	3.8
391.16476	20.4
408.19382	9.0
409.17535	73.4
452.18121	100.0
455.81659	4.0
589.26489	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	589.279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30087	6.6
52.09682	7.2
56.66936	7.8
57.07075	27.1
63.72820	8.1
66.53163	8.4
77.78417	9.1
81.07081	14.3
91.05519	16.2
119.04956	15.1
129.07091	14.3
131.24200	8.5
133.06471	14.9
137.05962	100.0
137.06761	8.7
147.04443	14.2
160.76752	8.9
193.79010	8.9
224.52803	12.0
245.15472	20.7
337.04291	9.5
366.89474	9.9
381.20761	34.2
511.47391	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	589.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	48.2
63.79960	13.2
66.41864	12.1
90.59103	13.7
91.05446	28.7
93.06487	12.7
94.22871	13.0
103.00365	12.8
103.05464	20.0
105.07035	33.0
131.04976	19.7
137.05971	100.0
161.05931	40.0
187.07535	14.8
278.13281	14.3
333.61380	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	589.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.2
57.07065	29.5
57.07272	2.5
63.08362	2.6
72.58332	2.5
79.05494	3.8
81.03419	3.1
81.07064	3.8
85.06564	10.2
91.05470	32.2
95.04988	7.8
103.05434	21.3
105.07060	12.6
107.04985	6.7
112.66846	2.9
115.05531	3.7
119.04978	11.1
121.10166	4.4
122.03684	6.6
122.55604	3.4
123.04411	4.3
129.07039	6.8
131.04913	36.7
133.06535	13.3
137.05963	96.6
145.06519	5.0
153.06976	4.0
159.08069	4.1
161.06023	12.7
163.07494	23.8
163.11169	7.0
175.11223	9.2
187.07619	10.7
201.11023	3.4
219.07957	3.3
277.12372	5.6
279.10312	7.8
337.14301	5.2
337.18109	5.5
347.16409	5.7
352.14117	3.7
361.18234	6.1
379.18985	100.0
397.19824	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	589.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
68.26852	2.9
80.43700	3.4
91.71003	5.7
104.68809	3.0
163.13699	3.3
182.89461	3.3
190.09128	3.6
356.38794	3.9
529.30066	22.4
589.31909	100.0
602.90515	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	589.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48342	1.6
66.28226	1.8
76.03718	1.9
81.05344	1.7
86.37975	1.9
91.54807	2.0
91.71659	3.4
142.34030	2.5
142.93880	2.2
146.55045	2.6
171.99550	2.4
238.34454	2.6
589.42816	100.0
590.42688	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	589.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	22.0
57.03420	27.2
57.07068	69.6
63.23777	6.4
63.35798	7.6
67.05495	77.8
67.58283	6.6
69.07046	21.1
71.08613	46.7
74.96786	6.3
79.05476	34.3
81.07047	73.1
83.08621	25.5
85.10175	14.8
91.05482	54.4
93.07065	41.1
95.04975	8.3
95.08601	66.0
97.10197	12.4
105.07037	73.0
107.08591	21.9
109.10157	26.0
116.19113	8.5
117.07031	12.6
119.08571	45.9
121.10136	27.7
123.11739	11.6
129.06924	10.2
131.08601	23.7
133.10135	30.6
135.11737	20.6
141.06894	7.8
143.08540	19.2
144.10019	8.6
147.11655	42.3
149.13306	13.1
157.10199	7.9
159.11717	24.1
161.13242	29.5
171.11610	10.4
178.94078	7.5
199.14861	10.4
226.70685	8.1
241.19513	29.6
259.20578	54.5
289.67529	10.1
313.27292	100.0
333.24231	34.0
357.00546	9.3
412.22183	8.6
580.57440	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	589.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	17.4
57.03433	18.8
57.07068	60.8
67.05494	68.8
69.07049	27.6
69.39777	6.7
71.08620	51.2
79.05470	34.0
81.07043	64.9
83.08631	17.4
85.10161	22.7
89.00106	6.8
89.82980	7.6
91.05476	65.1
92.21612	7.6
92.55653	7.1
93.07030	64.7
95.08595	63.4
105.07008	62.7
107.08591	31.8
109.10168	21.2
115.76951	7.2
117.07027	12.7
119.08566	49.1
121.10102	21.0
129.07034	8.6
131.08559	19.1
133.10085	43.9
135.11728	12.7
145.10139	22.4
147.11699	38.7
157.10098	13.3
159.11684	19.9
161.13252	35.0
169.08316	8.7
171.11682	11.2
173.13263	10.8
175.14816	23.4
231.21051	9.8
241.19543	34.2
255.64412	9.1
259.20535	81.9
313.27301	100.0
333.24118	50.0
407.04529	10.5
520.67950	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	589.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	22.4
57.07061	67.0
67.05491	58.1
69.07047	27.2
71.08613	66.4
79.05479	41.8
81.07056	69.7
83.08636	33.0
85.10194	35.5
91.05466	47.5
93.07015	31.8
95.08595	64.5
95.92304	23.8
105.07023	57.0
119.08594	32.0
133.10139	60.4
141.96179	23.6
147.11707	45.7
161.13338	40.5
175.14879	26.5
241.19582	32.3
259.20526	100.0
313.27246	76.4
333.24319	52.5
339.58139	30.4
374.57837	30.1
589.42200	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.8
57.03420	3.8
60.66985	2.9
61.44872	3.1
67.05499	5.2
69.03415	4.7
70.39436	3.9
71.04990	20.7
79.05466	26.2
81.03409	100.0
81.07050	12.4
83.04963	10.9
85.02878	20.6
91.05492	22.5
93.07028	16.7
95.04954	22.5
102.83548	4.2
105.07034	22.4
107.04954	24.1
107.05589	3.9
107.08597	14.9
109.06512	5.8
109.10159	6.2
111.04465	9.4
115.05397	3.7
116.24532	3.6
117.07010	13.1
119.08578	12.2
121.06511	11.1
123.04440	6.1
131.04889	8.4
131.08562	11.4
133.06494	4.0
133.10104	18.8
135.08041	43.0
137.06009	4.5
137.09680	4.5
138.10735	3.4
139.03886	5.6
143.08585	8.2
145.06465	11.8
145.10092	6.5
147.08046	36.8
149.09592	7.5
155.08630	4.6
157.10150	8.4
159.08054	8.0
161.09618	54.3
161.60764	4.2
165.09090	13.1
168.09334	4.0
173.09679	9.4
173.13295	15.8
179.10713	11.2
183.11722	12.5
188.09959	4.6
201.12764	52.1
203.10626	7.6
219.13806	7.5
229.12283	12.0
235.11180	4.8
247.13272	88.6
253.12202	12.4
289.14377	20.7
309.33157	4.4
357.17285	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	591.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15744	5.2
52.38257	4.7
53.10085	4.1
53.67104	4.8
54.09125	4.5
68.79271	5.1
69.96634	6.5
70.00546	5.4
70.43462	5.5
75.05457	5.7
76.78959	5.2
85.02901	7.8
91.05442	7.8
91.71656	12.0
94.06546	8.2
108.08157	6.0
122.06046	16.4
131.62930	6.2
146.97032	6.9
148.07610	15.2
148.47629	6.0
164.06963	14.1
171.14667	5.9
173.07106	8.5
176.10957	6.4
198.02846	6.1
201.10280	18.9
202.08603	17.0
214.08699	9.9
215.11668	7.7
227.08112	13.7
242.05299	7.8
243.11319	31.5
244.09706	14.9
261.12509	12.3
262.10684	16.2
267.11438	8.2
278.40591	7.8
285.12250	13.5
286.10831	19.0
287.10175	10.1
303.13348	100.0
304.11792	10.7
316.11758	20.4
363.82507	8.3
428.21664	22.2
466.19415	11.6
529.25909	7.9
591.26141	98.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43088	0.7
55.01863	2.9
55.62141	0.6
68.57007	0.6
69.07048	2.2
70.03011	0.7
70.06586	0.9
72.45844	0.7
74.53568	0.6
75.41486	0.8
75.87247	0.6
81.52592	0.8
90.52966	0.7
95.04952	0.9
111.42126	0.9
125.64053	0.8
136.07610	1.0
140.07071	2.8
148.07581	3.6
157.09070	0.8
168.06549	2.2
168.78214	0.8
174.05493	1.1
199.08685	4.0
210.09111	0.9
215.11783	1.6
225.10223	2.4
226.08606	1.2
227.08305	1.1
227.11871	1.6
243.11223	1.3
250.70195	1.0
255.11241	13.1
269.12848	3.9
297.12329	4.6
315.13354	100.0
316.13818	2.3
500.73917	0.9
506.26813	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82605	0.6
53.67809	0.6
55.01852	2.7
61.90947	0.7
69.07062	1.6
74.64235	0.9
89.59258	0.8
129.74124	0.9
140.07092	3.9
148.07594	3.0
151.76007	0.9
152.73790	0.9
168.06589	3.0
193.83864	1.1
199.08716	1.9
213.10352	1.2
225.10219	2.0
226.08633	0.9
227.08197	1.1
227.11758	1.9
227.52498	0.9
242.10555	1.1
243.11234	1.4
255.11261	11.0
269.12811	3.0
287.13843	1.0
297.12347	5.5
315.13373	100.0
316.13742	1.6
327.86307	0.9
343.17862	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62669	1.8
53.27369	1.7
53.83357	1.9
57.15836	1.8
64.45369	2.1
66.93148	2.0
67.05494	3.6
68.17610	2.1
85.02880	3.3
90.63987	2.2
91.05476	2.3
93.07037	4.8
93.49868	2.2
94.06553	3.8
95.05057	2.4
108.08132	5.3
121.10014	2.3
122.06032	10.1
123.19151	3.0
124.88628	2.4
136.07605	9.8
147.04387	2.6
148.07596	8.7
164.07076	19.7
173.07112	7.0
175.08780	3.4
184.07617	3.5
189.10213	3.0
198.09183	3.9
201.07719	3.4
201.10246	16.3
201.55368	2.4
202.03714	2.8
202.08582	18.2
215.11812	12.2
216.10207	10.7
226.08630	7.5
239.11743	3.5
241.09831	3.5
243.11227	25.7
244.09668	10.9
259.66388	2.8
261.12393	19.0
262.10855	20.5
267.11240	3.2
269.09164	4.1
285.12332	11.0
286.10709	20.7
287.10104	4.5
295.84714	2.8
298.15369	3.7
303.13370	100.0
304.11920	9.4
315.13263	3.7
329.11371	4.7
339.12573	2.9
410.20679	6.9
424.18604	2.7
428.21774	24.3
448.18585	4.3
466.19681	9.8
543.26288	2.7
591.26929	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	591.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51998	0.9
55.01861	2.0
56.96538	1.8
62.91456	0.8
65.30305	1.0
66.21738	0.9
69.07063	2.0
70.06580	1.8
71.04985	1.0
73.02902	1.1
81.53024	0.9
119.91019	1.0
126.62312	1.1
136.07582	1.6
140.07076	2.9
145.55302	1.0
148.07602	5.0
153.89978	0.9
168.06546	3.1
198.09143	1.5
199.08688	1.7
211.53865	1.1
225.10210	2.2
227.08200	2.5
227.11804	3.0
243.11217	1.4
255.11234	12.4
269.12820	3.3
297.12360	5.7
298.10666	1.2
298.57278	1.1
315.13354	100.0
316.13876	1.8
359.71402	1.4
402.67926	1.2
495.58011	1.2
496.94583	1.5
573.23724	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	591.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05476	4.0
69.60597	2.8
72.38588	2.4
81.07053	3.2
91.05476	3.4
93.07006	3.8
97.49909	3.0
101.36552	2.9
106.06571	3.1
108.08115	7.8
120.08125	4.3
122.06006	8.7
122.09697	4.0
133.58232	3.3
135.08458	3.0
136.07556	8.5
148.07596	8.0
164.07028	18.4
173.07146	6.9
201.10243	14.7
202.08609	13.8
215.11786	7.6
216.10326	6.9
226.08649	5.7
226.10890	3.5
227.08189	5.2
229.09691	3.5
241.09680	3.8
242.11749	5.0
243.11279	20.5
244.09666	19.8
261.09396	3.2
261.12283	18.1
262.10754	15.5
267.11304	3.7
268.09622	6.8
269.08835	3.5
282.58331	4.2
285.12448	7.8
286.10675	18.6
296.33936	3.9
298.15549	5.4
303.13376	100.0
304.11749	5.7
329.11362	7.2
339.03226	3.9
410.20984	4.7
428.21756	18.6
466.19836	16.4
573.26996	5.0
591.27448	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	591.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72741	1.8
51.79745	2.0
55.01856	6.0
57.07054	12.0
58.83776	2.1
65.09992	2.5
70.62589	2.2
79.05490	6.2
81.07024	3.2
85.06541	5.9
91.05466	27.2
93.07030	11.4
95.04954	6.3
103.05464	8.7
105.07022	8.4
107.04949	4.9
115.05412	4.7
117.07011	5.2
119.04954	18.7
119.08607	3.0
121.06539	7.2
122.03667	5.6
129.07021	3.3
130.04144	3.6
131.04948	5.3
133.06503	9.0
135.04440	11.7
137.05962	100.0
137.09558	3.4
147.04414	17.0
149.05971	6.0
150.06786	5.9
151.07492	3.6
160.05168	3.4
161.05968	14.9
162.06740	22.1
171.48219	3.3
175.07492	4.7
177.05464	6.3
179.07045	9.6
187.07576	3.0
187.11270	4.1
191.25595	3.5
203.06955	12.8
229.15918	3.4
307.09637	9.5
321.11127	3.0
327.12256	9.6
332.94858	2.9
339.12225	3.6
344.31085	3.2
357.13443	3.8
365.21323	9.0
395.22305	3.9
418.83075	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	591.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	6.9
57.07067	12.8
81.07053	7.3
87.22610	6.0
91.05479	22.2
93.07024	11.8
95.04978	6.9
119.04942	19.9
119.08654	6.8
129.07111	6.1
130.04160	6.9
132.85616	6.1
133.06497	7.8
135.04431	11.0
136.52330	5.4
137.05963	100.0
147.04399	29.6
149.05989	8.8
150.06909	7.6
161.05972	13.2
162.06725	27.3
175.07649	6.5
203.07033	13.2
307.09631	8.1
359.17255	7.4
362.75745	6.8
365.21143	16.2
424.20932	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	591.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58799	3.9
62.64052	4.2
68.40738	4.5
80.17585	4.7
89.00014	4.5
97.24004	4.6
185.67413	6.1
188.78143	5.3
334.65692	6.4
357.32053	6.1
591.38623	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65253	1.6
51.42702	1.6
60.39820	1.9
75.85168	2.0
76.10920	2.2
85.52161	2.0
92.37555	2.1
215.25365	2.6
240.75208	2.5
424.20822	2.8
591.40784	100.0
592.41083	5.4
613.48578	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	592.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
57.03407	0.7
58.48659	0.4
60.70015	0.5
69.03427	2.4
71.90642	0.4
81.03410	0.9
81.46542	0.4
85.02895	5.9
97.02870	2.7
99.04533	0.5
106.06197	0.5
116.46909	0.4
119.03531	0.8
121.06498	0.8
127.03862	1.0
136.06180	100.0
137.04553	0.6
145.04950	1.0
161.82463	0.4
194.94952	0.5
198.08188	0.5
268.10425	6.6
298.11481	0.9
349.78439	0.4
426.65546	0.6
430.15567	2.4
580.30615	0.6
592.20728	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	592.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	2.0
53.03932	7.3
53.40357	2.0
55.01865	20.4
55.05491	10.7
57.03428	4.9
57.07106	2.4
67.05493	44.5
69.03423	42.6
69.07046	6.5
70.66035	2.4
71.04980	11.9
72.90639	2.2
73.02895	11.5
79.05488	39.2
81.03413	47.6
81.07045	52.2
83.04977	3.0
83.08611	5.7
85.02901	19.1
85.54670	2.8
85.68311	2.1
91.05487	16.6
93.07039	50.9
95.04955	5.0
95.08611	34.9
97.02887	38.0
97.06560	3.1
99.04446	74.8
101.02366	4.6
105.07027	17.5
107.08578	11.6
109.02860	34.5
109.10145	16.6
111.04413	7.1
112.57832	2.3
117.07009	4.0
119.08582	11.2
121.10135	33.0
123.11716	7.8
127.03908	100.0
131.08582	11.4
133.10135	11.5
135.11638	16.9
137.13249	3.0
145.04942	16.9
145.10110	9.0
147.11678	8.8
149.09596	4.2
149.13240	5.0
159.11696	9.1
173.13228	5.6
175.11104	2.7
187.14914	3.5
192.31549	2.8
198.77324	2.8
215.17993	10.7
231.17493	6.3
233.18887	16.3
249.18365	3.0
251.20029	8.6
320.00504	3.1
359.22092	5.3
377.22995	5.5
395.24298	33.0
398.78931	3.0
582.32501	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	592.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03229	1.6
55.05492	3.0
56.05024	4.0
57.07050	2.3
59.73540	1.6
67.05474	11.4
69.03413	6.4
69.07074	3.5
69.44991	1.7
71.04971	3.1
79.05493	11.0
79.25732	2.1
80.04993	3.2
80.95108	2.2
81.07035	13.0
82.06561	4.3
83.08646	2.0
91.05502	3.7
91.71474	6.4
93.07030	22.2
94.06576	18.9
95.04970	5.4
95.08598	23.0
96.08118	3.3
97.06556	5.4
97.10197	2.3
105.07021	8.5
107.07345	3.2
110.09683	9.8
111.08070	12.5
118.88200	1.9
122.09654	35.2
123.08060	30.5
126.26105	2.0
128.10706	31.9
140.10695	100.0
141.09090	10.4
147.04483	2.5
158.11751	7.3
245.74252	2.4
272.25879	8.1
279.48657	2.5
371.55380	2.7
382.33167	6.8
385.63403	2.5
394.33136	15.8
412.34125	43.5
447.90576	2.5
503.36411	2.3
517.50470	2.7
524.61200	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	593.2754
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
53.34345	6.9
70.54656	6.7
84.45866	6.7
95.98460	6.5
105.51710	7.4
107.71354	7.4
119.96063	7.3
148.40836	7.9
152.49287	8.2
186.70200	7.7
283.09018	8.8
445.20560	11.8
447.21893	10.6
533.25378	27.6
593.27716	100.0
593.37665	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	593.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13244	2.6
56.71890	2.8
66.53497	2.5
73.08963	2.6
73.39700	3.0
74.04668	2.7
77.09948	2.6
128.05960	3.1
148.58672	3.7
155.61693	3.9
171.95444	3.8
327.60831	3.7
398.72980	3.8
403.19214	4.6
403.31030	3.4
417.20706	5.5
431.18246	7.7
433.23914	6.9
444.28830	3.8
445.20346	10.8
447.21768	7.3
459.21411	5.1
460.22314	15.5
461.23358	10.8
498.51208	3.8
505.22177	3.8
533.25488	52.5
540.09467	3.8
593.27502	100.0
594.26819	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	593.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52392	3.8
54.60658	4.4
66.29176	4.6
81.07026	5.9
85.02898	11.0
93.07080	5.2
97.02870	5.1
102.85420	5.0
105.01773	4.6
122.05964	6.0
133.06450	9.4
202.07416	11.5
225.10262	11.6
226.11006	10.3
243.11395	6.1
245.09184	6.8
259.10751	7.0
261.08670	74.8
264.75800	5.5
271.10843	21.3
284.11523	14.7
285.12326	46.6
287.10272	60.2
303.13242	6.6
308.60483	5.7
364.12857	30.5
398.17331	13.8
408.19101	86.9
424.18634	12.0
438.20184	100.0
575.28552	73.0
593.29150	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	593.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45420	3.6
69.07082	6.1
81.07060	8.9
84.05672	4.3
85.02930	13.2
91.05498	4.8
111.90859	4.3
127.03963	6.4
133.06477	29.2
133.20860	5.1
135.39543	4.3
149.39040	4.8
155.54832	4.7
164.10675	8.8
200.09445	5.6
202.07527	5.7
217.09602	9.1
225.10274	9.2
243.11397	6.2
259.10953	7.3
261.08691	55.2
271.10788	33.0
284.11575	12.9
285.12326	51.8
287.10190	47.0
364.12787	29.9
379.15207	9.1
380.20367	6.0
398.17059	12.1
408.19110	100.0
424.18509	12.0
438.20132	95.3
456.21188	5.6
545.27203	7.0
575.28668	71.8
593.29541	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68784	2.3
56.91045	2.1
60.97983	2.2
69.03442	2.7
70.06612	2.3
70.38809	2.6
84.47276	2.7
84.52969	2.4
85.02900	7.2
85.53671	2.6
117.92858	2.9
122.06117	3.1
127.03947	4.2
156.67865	2.7
164.16017	3.1
200.09483	6.6
201.29150	2.9
202.07375	9.9
203.82480	3.3
214.81186	2.7
215.11844	7.3
217.09764	7.3
228.09038	8.0
233.09352	5.7
243.11272	11.7
259.10751	5.7
261.08673	68.4
271.10773	14.2
287.10233	100.0
364.12784	5.6
398.17169	24.4
408.19189	48.4
424.18665	27.5
438.20218	17.5
545.27319	10.1
575.28680	25.3
590.25043	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	593.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25489	1.2
54.01963	1.3
63.95636	1.2
85.55055	1.5
85.65008	1.5
111.95111	1.6
112.85973	1.4
122.06030	2.2
147.04446	4.0
200.09505	6.6
201.06618	3.2
202.07367	9.0
215.11891	3.1
217.09628	7.6
223.95491	1.7
227.08234	4.1
228.08873	8.8
233.09325	4.6
243.11267	7.6
259.10773	7.5
261.08673	62.1
287.10239	100.0
327.91855	1.9
342.60385	1.9
392.77359	1.8
398.16980	26.0
408.19156	3.3
424.18674	32.4
425.18994	1.9
438.20724	2.9
575.28339	2.9
593.29651	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	593.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
62.42334	1.1
65.01692	1.2
111.72248	1.2
119.62391	1.4
144.87115	1.3
147.04391	3.2
183.52806	1.4
196.13271	1.8
196.19327	1.6
199.08717	1.4
200.09476	6.0
201.10327	1.6
202.07367	7.5
215.11790	3.9
217.09666	7.1
227.08165	4.0
228.08876	9.5
233.09222	6.1
243.11230	7.1
259.10751	10.1
261.08691	58.8
287.10239	100.0
398.17059	29.1
408.19040	4.4
424.18649	33.0
438.20016	2.5
545.27539	1.9
563.28778	1.9
575.28723	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	593.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44242	2.3
55.01856	5.0
57.07069	14.5
59.04989	6.0
67.00517	2.5
79.05468	5.3
81.07049	4.6
85.06547	7.7
91.05466	40.2
93.07032	8.8
95.04950	4.5
103.05441	4.7
103.07533	3.6
105.07030	5.5
107.04952	3.6
109.06493	7.0
110.85499	2.6
119.04921	40.0
122.03664	6.1
124.98844	3.3
125.31154	3.2
129.06940	3.5
131.04877	5.1
131.48438	3.3
133.06482	6.6
137.05975	100.0
147.04460	9.2
151.07564	15.4
161.05977	15.5
162.06686	3.8
165.48438	3.1
175.07574	9.5
179.07039	11.2
187.07610	3.5
187.11197	4.2
193.08618	4.1
195.70477	3.4
205.08713	5.6
241.15648	3.3
247.07562	4.8
265.96030	3.2
356.81967	3.6
365.21021	25.7
377.20645	3.6
441.72379	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	593.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27797	1.4
55.01863	3.6
57.07070	13.8
67.05494	3.1
76.67111	1.6
79.05476	5.4
79.92999	1.7
81.07040	3.9
84.76957	1.9
85.06548	6.1
89.53542	1.7
91.05467	38.3
93.07052	11.7
94.04214	3.6
95.04941	5.0
103.05488	4.0
105.03375	7.0
105.07027	8.3
107.04927	4.3
109.06509	5.6
115.05463	2.7
115.66489	2.0
117.07023	2.8
119.04931	35.7
121.06516	5.3
122.03616	4.9
123.08057	2.0
129.07072	3.2
131.04973	2.1
131.08562	2.6
133.06473	5.9
135.04391	2.0
137.05972	100.0
137.09563	4.3
145.06487	3.0
147.04405	15.6
149.05981	3.3
151.07538	19.6
159.08058	3.2
161.05933	12.6
162.06764	5.5
163.07558	2.2
165.05528	3.1
169.10011	2.7
175.07584	10.6
175.08923	2.4
179.06990	12.3
187.07570	5.7
187.11247	4.8
191.04663	2.7
193.08655	3.5
205.08598	5.8
219.08185	2.4
229.15848	5.0
241.15863	3.5
259.16733	2.4
265.11810	2.3
297.11142	2.4
309.11154	4.3
311.85046	2.0
365.21021	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.366
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71391	4.0
60.37189	4.0
62.91093	4.2
66.35207	4.1
67.53706	4.4
74.27353	4.8
89.30116	5.1
91.71043	10.5
97.98116	5.3
214.03917	5.9
238.15105	5.5
274.60910	5.4
430.37656	6.2
593.36505	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06787	1.5
53.03933	3.9
55.01868	2.3
57.03429	2.5
61.02919	4.5
69.03418	21.5
71.04983	7.0
80.17500	1.7
81.03403	14.5
81.94802	1.8
85.02897	88.5
91.04014	1.7
91.05473	20.4
97.02883	35.8
99.04454	39.7
103.03935	88.2
109.02892	14.9
127.03905	100.0
145.04945	60.4
163.06003	71.9
180.08659	2.3
186.07654	3.0
187.05971	3.1
208.30383	1.8
268.72043	2.0
271.08038	5.4
289.09244	6.2
307.10147	21.3
353.26447	2.2
583.84021	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	594.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06787	1.5
53.03933	3.9
55.01868	2.3
57.03429	2.5
61.02919	4.5
69.03418	21.5
71.04983	7.0
80.17500	1.7
81.03403	14.5
81.94802	1.8
85.02897	88.5
91.04014	1.7
91.05473	20.4
97.02883	35.8
99.04454	39.7
103.03935	88.2
109.02892	14.9
127.03905	100.0
145.04945	60.4
163.06003	71.9
180.08659	2.3
186.07654	3.0
187.05971	3.1
208.30383	1.8
268.72043	2.0
271.08038	5.4
289.09244	6.2
307.10147	21.3
353.26447	2.2
583.84021	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	594.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01872	1.7
57.03415	2.5
61.02914	3.4
61.62505	0.7
69.03426	10.7
71.04953	0.8
73.02897	1.0
79.05507	1.0
81.03411	2.8
85.02898	49.9
86.03237	0.7
87.04485	0.8
87.37108	0.6
90.36720	0.7
91.03938	2.3
97.02887	13.5
99.04436	2.0
103.05463	0.8
105.07025	16.8
107.04918	1.9
109.02894	4.5
117.09003	0.7
127.03909	9.8
133.06487	100.0
134.06805	0.7
135.06108	0.8
145.04951	14.4
149.32425	0.7
157.06454	0.8
163.06018	4.5
177.54889	0.9
185.05547	0.7
204.08514	0.7
271.10904	1.1
272.11386	0.8
287.10245	1.1
317.74680	0.8
349.21454	0.8
392.16107	1.2
408.19214	1.7
409.19354	2.0
439.20328	1.2
498.77249	0.9
576.28778	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1445
Annotation	CHEBI:75672
Peak:m/z	Relative Intensity
55.39415	2.2
67.47713	2.0
70.06619	2.1
73.95908	2.2
80.60329	2.3
105.10674	2.2
111.04446	2.6
123.93935	3.0
127.03915	3.2
133.14839	2.4
133.80914	2.8
139.03883	100.0
163.03880	2.8
168.04970	3.2
263.00082	2.9
289.06937	3.6
427.10098	4.9
498.63123	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80803	1.9
56.65468	1.5
64.70186	2.0
67.46824	1.8
68.99776	6.6
74.37891	1.9
81.03397	2.7
84.41223	2.0
84.41763	2.0
84.79015	1.9
90.33154	2.2
91.71588	2.8
111.00800	6.8
123.04417	21.9
127.03909	100.0
139.03897	48.0
147.04407	10.3
151.03882	20.2
165.05482	4.6
167.03456	2.6
175.03940	12.3
177.05486	2.7
179.03391	25.6
181.90176	2.2
185.06201	2.7
191.03436	6.9
193.04945	3.5
201.05386	4.7
203.03397	18.7
213.05521	2.7
217.04866	3.5
229.05057	2.5
231.06575	2.8
233.04543	3.3
241.04811	4.8
245.04485	7.1
257.04419	6.3
263.05548	4.0
275.05450	7.9
287.05453	35.9
291.08640	8.7
299.05539	10.2
305.06509	10.7
317.06589	7.6
409.09027	3.9
425.08490	7.8
427.10495	2.9
491.82315	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1446
Annotation	CHEBI:75674
Peak:m/z	Relative Intensity
53.17563	2.2
58.73447	2.2
65.90823	2.2
68.99785	7.1
76.25070	2.2
80.51264	2.3
81.03422	3.2
81.08507	2.6
101.02263	2.4
109.02916	4.0
111.00820	7.0
123.04417	28.6
124.87100	2.6
127.03904	100.0
137.05948	3.5
139.03903	55.8
139.04958	3.0
147.04503	10.2
151.03883	23.7
165.05547	5.6
175.03920	14.5
177.05515	3.3
179.03368	28.0
191.03473	8.3
199.49245	3.0
201.05511	5.7
203.03363	15.2
217.04980	3.8
229.05104	6.5
240.96574	3.0
245.04491	4.2
257.04559	8.8
263.05545	6.3
275.05420	13.3
281.17050	2.9
287.05511	34.5
291.08746	9.4
299.05518	8.0
305.06702	8.6
317.06735	9.2
368.97714	3.0
425.08804	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75758	0.4
55.01854	0.8
56.26354	0.4
63.17483	0.4
65.03924	1.0
68.96085	0.5
68.99779	0.9
71.84042	0.4
76.59682	0.4
83.04956	0.7
89.51776	0.4
91.71579	0.7
93.03417	0.7
97.02860	0.6
111.04455	2.9
127.03909	1.3
135.04425	0.7
139.03889	100.0
140.04256	0.5
151.03839	0.6
163.03923	3.4
175.03951	0.6
181.04918	0.6
191.03467	0.4
197.06001	0.6
205.04962	0.5
209.24823	0.4
219.02916	0.7
225.05623	0.6
255.27289	0.5
271.06116	0.6
289.07010	1.9
301.07053	1.2
427.10214	8.0
457.11258	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1448
Annotation	Tiliroside
Peak:m/z	Relative Intensity
50.58537	1.5
54.19920	1.6
61.97526	1.6
68.99775	4.6
81.03398	4.2
91.05483	2.9
93.03395	2.0
93.33199	1.9
95.04978	3.2
102.77617	2.1
109.02898	2.7
111.00796	8.0
119.04964	7.6
123.04417	50.0
127.03909	100.0
139.03899	63.7
147.04414	19.4
151.03882	25.2
161.05986	3.1
163.03902	6.3
165.05487	7.7
165.45401	2.1
175.03874	14.1
177.05461	4.7
179.03419	35.2
181.04977	3.0
189.05403	4.8
191.03400	7.7
193.04950	7.5
203.03384	21.7
213.05460	5.3
217.04935	4.6
229.04973	4.0
231.06578	3.8
233.04482	3.9
241.05025	3.2
245.04381	15.7
257.04404	14.3
259.06125	2.4
263.05539	4.7
271.05942	2.9
275.05450	16.9
287.05481	51.3
291.08627	11.6
292.86063	2.3
299.05557	16.3
305.06491	5.7
310.44562	2.5
317.06625	6.2
391.08322	2.8
409.09213	10.5
425.08676	9.0
427.10104	5.0
439.09897	3.9
451.10541	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	595.1445
Annotation	CHEBI:75670
Peak:m/z	Relative Intensity
52.51803	1.1
59.60720	1.3
61.46321	1.2
68.99782	4.6
70.06564	2.2
81.03418	1.4
85.02917	1.6
86.09669	2.0
97.70855	1.2
107.04939	3.0
109.02853	3.1
111.00818	3.4
111.04478	2.4
119.04930	1.7
121.02880	2.1
123.04424	27.3
127.03912	100.0
135.04413	17.0
139.03896	69.2
147.04427	5.0
149.05969	1.8
151.03897	18.9
152.37315	1.5
155.03442	1.5
161.05986	1.5
163.03894	23.8
163.05197	2.5
165.05457	4.6
166.71481	1.4
167.03413	5.3
173.06029	2.0
175.03912	5.4
177.05553	4.2
179.03377	9.6
185.41803	2.1
187.03909	4.9
191.03423	10.6
193.04990	2.5
197.06013	2.2
201.05423	5.3
203.03329	8.8
205.04935	2.0
213.05446	3.2
215.07019	2.0
229.05011	6.5
231.06548	1.6
233.04387	3.7
243.06535	2.3
245.04497	4.0
247.05977	18.2
257.04398	4.6
259.06049	3.8
263.05472	1.5
271.05991	10.1
272.93039	2.0
275.05472	11.0
283.05984	3.7
287.05496	17.3
289.07129	5.0
291.08652	5.8
299.05508	4.9
301.06985	6.5
305.06653	5.1
307.08118	4.9
317.06516	3.3
407.07239	2.7
409.09186	8.4
425.08636	4.1
427.10114	5.9
443.09793	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	595.1449
Annotation	CHEBI:75674
Peak:m/z	Relative Intensity
51.63263	1.1
54.57851	1.2
65.13005	1.3
68.99775	5.9
73.66795	1.5
81.03415	3.9
95.04981	1.7
109.02883	3.7
111.00798	5.2
119.04955	1.8
123.04433	33.9
127.03911	100.0
135.04414	1.8
139.03896	63.6
147.04390	11.9
151.03893	22.7
151.62239	1.9
161.05981	1.8
163.03830	3.9
165.05450	5.8
167.03378	3.5
172.56297	1.9
173.06029	2.5
175.03886	14.0
177.05507	3.9
179.03394	32.7
185.06004	2.7
189.05470	2.7
191.03389	8.9
193.02939	1.6
193.04965	3.7
199.03899	2.1
201.05434	3.6
203.03358	19.2
203.04916	1.9
213.05521	4.3
217.04956	4.1
219.06630	1.8
229.05005	1.9
231.06505	1.9
231.49013	1.6
233.04549	4.2
241.04855	3.7
243.86400	1.7
245.04532	4.1
257.04504	7.9
259.05960	3.2
263.05560	6.0
275.05505	14.6
287.05481	35.0
291.08621	17.6
299.05441	12.3
305.06665	7.7
317.06564	9.3
380.17581	1.7
414.76260	1.9
425.08917	9.5
427.10187	4.4
502.54160	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1446
Annotation	CHEBI:75672
Peak:m/z	Relative Intensity
57.96156	4.9
61.40620	5.8
68.99005	5.2
74.68337	6.3
107.04960	8.0
115.31587	6.6
116.36620	6.1
123.04411	38.8
127.03917	100.0
135.04439	20.9
139.03885	78.6
151.03851	6.9
163.03842	31.7
181.68195	6.3
187.03990	7.3
191.03401	7.8
207.83701	6.4
245.04385	7.6
257.04382	11.3
271.06042	8.9
275.05490	9.2
287.05511	18.2
289.06815	7.2
292.14471	6.5
301.07062	9.0
354.30966	7.1
355.55768	6.5
425.08426	9.8
512.12231	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	595.1655
Annotation	Datiscin
Peak:m/z	Relative Intensity
57.03423	2.4
59.33743	1.0
60.08078	0.9
66.18114	0.9
69.03414	2.6
69.37988	0.9
70.06582	1.2
71.04983	17.7
85.02889	22.4
85.03371	1.8
89.09515	1.1
97.02898	2.1
101.48179	1.2
105.07024	1.8
111.71812	1.1
121.02882	3.3
127.03892	5.6
129.05455	3.7
139.03903	5.3
147.04376	2.4
153.01848	2.8
158.53639	1.2
268.77936	1.3
287.05457	100.0
288.05811	1.5
301.07736	1.5
308.27759	1.3
323.11050	1.3
370.96725	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	595.1653
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
51.92722	0.9
57.03426	2.4
58.20641	0.8
61.02904	0.8
66.63987	0.9
69.03426	1.7
70.56904	0.7
71.04608	1.3
71.04978	15.8
71.69417	1.0
78.75365	0.7
82.21915	0.8
85.02900	22.0
91.71628	0.9
95.60399	0.9
97.02893	1.4
104.78432	1.0
121.02850	3.1
123.04467	1.1
125.92243	1.2
127.03903	3.7
129.05479	3.5
135.38965	0.9
136.75229	0.8
139.03931	1.3
141.55324	0.9
145.04971	1.1
153.01775	2.7
165.01863	1.5
169.70914	0.9
185.05959	1.1
214.55153	1.1
258.05307	1.1
287.05469	100.0
288.05930	1.5
619.56384	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1657
Annotation	Kaempferol-3-Glucoside-3''-Rhamnoside
Peak:m/z	Relative Intensity
53.03958	0.9
55.05498	1.7
57.03427	9.5
61.02902	1.3
65.34990	1.4
69.03418	11.1
69.28605	1.3
71.04982	62.7
73.02904	3.3
75.04479	6.2
81.03416	3.3
83.04968	10.4
83.10413	1.3
85.02897	88.0
87.04411	2.6
88.33270	1.1
97.02883	4.8
98.06058	1.5
107.04953	1.5
109.02873	2.8
111.04443	5.6
121.02868	11.8
127.03909	2.9
129.05470	19.9
137.02367	1.7
139.79529	1.3
145.04926	2.0
147.06509	5.6
153.01840	4.8
157.06386	1.4
165.01740	2.6
185.64761	1.3
188.09100	1.3
213.05415	2.0
223.82755	1.5
283.05884	1.6
286.04343	1.9
287.05469	100.0
299.05487	7.4
311.05325	4.2
313.06995	1.6
325.06982	3.7
329.06552	26.8
353.06592	4.8
379.08051	2.8
397.09171	9.9
409.39200	1.4
415.10129	4.1
433.11456	9.6
437.40564	1.3
438.43002	1.4
457.83395	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	595.1655
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03933	0.4
53.25941	0.3
55.01865	0.3
55.05483	0.3
57.03433	2.6
57.18340	0.3
59.58357	0.3
61.02899	0.7
69.03431	2.0
70.00341	0.3
71.04982	17.6
72.98122	0.3
73.02899	1.0
75.04457	0.6
77.34223	0.3
81.03401	0.9
83.04942	0.9
85.02897	23.2
86.06053	0.4
87.04436	0.5
97.02884	2.0
98.06012	0.5
99.04392	0.4
102.33154	0.4
105.03356	0.5
107.04942	0.4
109.02875	0.7
111.00802	0.5
111.04436	0.8
121.02856	1.6
127.03875	0.8
129.05478	4.3
137.02296	0.6
145.04929	0.9
147.04437	0.7
147.06496	0.8
153.01833	3.3
157.06386	0.6
165.01831	1.4
183.02907	0.8
203.06952	0.4
205.86652	0.3
213.05498	1.0
231.06421	0.6
240.55000	0.4
241.04991	0.6
258.05167	1.0
281.40109	0.7
287.05472	100.0
288.05746	1.2
409.39621	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	16.4
72.24070	2.0
91.71611	4.0
98.97578	14.5
116.98611	11.8
134.99734	6.2
139.76257	2.2
140.00182	15.1
140.02737	1.9
158.01241	15.3
181.02924	8.8
183.03246	2.4
199.06636	3.4
206.05063	2.4
210.44530	2.4
222.08076	2.6
230.05017	3.6
240.09319	2.8
242.07941	2.5
247.10205	6.6
248.87717	3.0
257.08609	2.9
265.11209	3.3
270.11737	8.0
275.09531	12.0
288.12936	3.8
293.10556	20.1
305.10739	8.5
307.08517	3.4
316.12155	30.4
323.11688	13.5
325.09686	5.4
328.12192	22.4
330.10245	8.2
341.12631	3.7
346.13226	13.7
347.11600	20.6
348.11292	5.8
364.14462	2.6
365.12708	22.2
369.14664	14.7
371.12842	4.1
388.14255	100.0
389.14551	5.0
429.17084	3.4
492.11758	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	44.1
57.07058	14.7
74.02797	7.6
82.76231	8.5
88.98763	8.3
91.05487	13.3
95.34026	9.1
95.64468	8.4
113.71992	9.2
116.98576	11.1
119.04887	11.7
137.05971	28.2
138.06261	12.2
140.00143	11.4
145.01741	12.0
149.02341	63.2
149.03439	11.9
168.03352	27.4
193.04903	46.4
227.74390	11.0
237.07587	13.4
275.09528	13.9
287.09601	10.8
289.78009	10.0
293.10794	24.7
302.72110	10.0
305.10379	13.2
316.12219	28.1
328.12241	32.9
346.13168	15.5
347.11710	59.7
365.12668	20.5
369.14703	19.2
388.14359	100.0
485.75552	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	13.8
55.81626	9.7
56.00914	10.9
60.84806	11.2
64.02861	13.2
67.05489	32.7
69.07072	13.7
71.04996	11.7
79.05464	17.4
81.07039	40.0
91.05493	33.0
92.27353	12.5
93.07023	26.3
95.08608	22.7
105.07010	27.2
106.28401	11.5
117.07031	20.0
127.66434	13.0
129.06992	39.6
131.08556	25.7
136.18031	11.3
136.46577	12.3
141.07018	14.3
143.08556	27.0
147.04372	19.3
178.60493	12.8
178.69569	14.0
201.31050	14.0
241.95842	12.8
341.21133	25.9
359.21893	21.3
415.24896	100.0
433.25665	33.1
489.40045	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	595.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91481	9.0
55.05499	21.0
58.64187	9.4
61.02910	42.9
64.63683	12.0
67.05471	54.9
67.30181	9.4
69.07044	17.6
71.04961	12.8
73.02883	12.8
73.56961	9.6
79.05482	34.5
81.07043	57.0
83.08606	26.3
85.02886	43.3
86.09692	13.4
91.03934	16.3
91.05483	65.7
93.07015	61.1
95.04964	20.9
95.08588	31.5
97.02878	38.5
105.07024	55.1
107.08611	17.1
109.06451	11.7
117.07022	45.3
119.08615	26.7
121.10121	13.2
123.08012	18.4
129.07048	68.0
131.08554	49.7
133.10162	13.7
134.56686	13.4
135.08078	11.1
141.06973	33.3
143.08583	34.1
144.09326	11.9
145.06439	20.7
145.10152	29.1
147.04446	16.5
149.09628	29.5
155.08607	19.6
157.10107	26.5
167.08607	22.6
169.10092	24.8
171.11606	18.6
181.10121	12.0
183.11703	13.3
187.11194	12.5
225.12775	29.3
257.69479	13.2
258.72601	12.0
287.86026	12.8
289.31052	13.2
291.15906	17.5
305.19016	28.4
323.20224	56.0
341.21027	43.4
352.13364	16.0
358.84427	14.0
415.24652	100.0
433.25632	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	596.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.0
57.07050	5.0
69.03419	19.7
81.07063	4.1
85.02895	11.7
87.04458	8.0
91.05460	12.8
91.41485	3.2
93.07030	100.0
95.04939	3.8
97.02887	22.3
107.08571	4.7
109.10154	4.3
110.11327	2.7
115.03918	19.7
127.03835	3.6
133.04970	12.9
135.11690	17.0
138.80170	2.9
145.04977	5.4
151.39180	2.7
229.07042	5.8
230.78636	3.4
247.08276	4.0
265.09128	8.4
266.08752	3.1
447.82437	3.6
500.26312	3.3
580.90875	3.1
614.25354	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	596.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.0
57.07050	5.0
69.03419	19.7
81.07063	4.1
85.02895	11.7
87.04458	8.0
91.05460	12.8
91.41485	3.2
93.07030	100.0
95.04939	3.8
97.02887	22.3
107.08571	4.7
109.10154	4.3
110.11327	2.7
115.03918	19.7
127.03835	3.6
133.04970	12.9
135.11690	17.0
138.80170	2.9
145.04977	5.4
151.39180	2.7
229.07042	5.8
230.78636	3.4
247.08276	4.0
265.09128	8.4
266.08752	3.1
447.82437	3.6
500.26312	3.3
580.90875	3.1
614.25354	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	596.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21152	3.7
53.03946	7.3
55.05516	18.5
62.16528	4.9
67.05495	84.9
67.27679	4.1
69.07069	21.6
71.05039	4.5
74.27176	4.8
79.05486	37.9
81.07051	87.9
83.08638	15.2
91.05472	45.0
91.71012	10.1
93.07042	81.7
95.04954	4.6
95.08594	73.0
95.09126	4.7
97.10149	8.1
105.07014	35.2
107.08576	40.4
109.10152	26.4
117.07071	14.3
119.08582	27.4
120.98775	5.0
121.10137	70.6
122.37314	5.5
123.08080	6.1
123.11745	12.0
124.27444	4.7
131.08510	26.2
133.10197	23.0
135.11693	35.9
141.49551	4.8
145.10095	23.5
147.11725	13.1
149.13306	8.2
159.11765	17.0
161.13319	11.6
170.58774	5.6
171.11731	12.1
173.13315	7.9
225.33821	5.4
237.18349	7.1
249.18602	7.2
263.20105	9.4
268.20709	5.6
277.21756	19.1
313.80267	5.9
465.37497	19.5
466.22012	6.3
483.38428	26.1
488.36447	6.2
501.39291	100.0
580.15430	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	596.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23675	30.2
50.36364	27.2
51.77960	25.7
52.86050	24.6
53.49577	25.3
56.97771	26.0
57.07067	25.3
59.09371	29.6
65.07973	29.4
67.05481	100.0
71.08630	29.1
72.63416	28.3
73.18755	33.5
78.72980	29.7
79.05485	33.2
81.07066	73.2
91.05441	50.0
93.07035	68.0
95.08595	99.4
105.07021	62.6
109.10093	33.0
121.10165	66.8
147.11664	48.6
177.42024	36.7
223.43950	42.4
269.94537	34.5
380.35379	42.1
501.39417	98.7
596.28162	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	597.1392
Annotation	Ridiculuflavone C
Peak:m/z	Relative Intensity
55.05495	7.3
57.03416	4.6
64.63548	2.8
65.03920	4.9
67.05496	28.7
69.07056	12.9
71.05013	3.2
71.40112	3.0
74.67615	2.8
79.05482	17.5
79.19057	3.2
81.07037	35.8
83.08620	8.4
91.05470	34.3
93.07028	27.2
95.04967	3.6
95.08598	11.7
97.02879	3.2
105.07021	29.9
107.08587	9.0
111.04413	3.6
113.16104	2.6
115.05492	2.8
115.59635	2.7
117.06997	20.2
118.47845	3.0
119.04944	2.7
119.08551	16.0
119.98150	2.6
121.02859	70.2
121.03783	6.2
121.10140	7.9
129.07008	12.7
131.08571	24.7
133.10133	11.4
141.06987	4.2
143.08595	12.5
145.02850	4.5
145.10143	15.9
147.11671	3.4
155.08597	8.8
157.10152	11.5
159.11687	6.8
160.16246	2.9
161.46196	2.9
166.32626	3.3
167.03448	8.4
167.08633	5.9
169.10103	4.7
171.08043	4.0
171.11742	6.5
181.10127	3.4
183.11661	5.1
187.11153	5.5
197.13445	3.9
287.10577	3.2
296.01105	3.8
315.23309	5.2
325.21689	10.4
343.22485	14.9
361.23813	9.7
399.24689	4.8
417.21472	6.6
417.26392	83.9
435.27621	26.1
461.08789	4.6
462.09653	6.1
498.99048	3.2
565.11279	12.9
576.74396	3.6
597.13947	100.0
597.28003	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	597.1451
Annotation	Peltatoside
Peak:m/z	Relative Intensity
53.00262	0.6
55.01868	1.0
57.03434	5.2
57.53415	0.6
57.88255	0.7
61.02902	2.6
61.95970	0.5
69.03421	7.4
70.06570	3.8
70.63879	0.6
71.04971	0.9
73.02910	11.7
81.03385	1.2
85.02898	11.2
86.09692	1.5
87.04440	0.8
97.02885	6.1
109.02871	1.8
111.00793	1.1
115.03925	3.8
115.31870	0.6
120.08128	0.7
121.02824	1.0
121.91026	0.7
127.03896	2.3
135.56343	0.8
137.02348	3.5
138.39087	0.8
145.04941	2.2
153.01846	4.0
165.01828	2.3
183.02898	1.0
205.54234	0.7
229.04993	3.1
229.75026	0.7
257.04425	3.0
268.49631	0.7
285.03864	1.0
287.05786	0.8
303.04968	100.0
304.05289	0.9
520.67279	1.1
577.04669	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1814
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
53.47912	4.4
59.18401	4.8
60.53968	4.4
63.39928	4.5
70.06586	8.6
73.35294	5.1
81.03416	13.0
84.68672	5.1
85.02892	36.4
91.05489	8.7
93.03404	14.8
97.02882	14.1
107.04945	21.8
109.02881	17.4
111.04460	6.6
111.94119	5.0
119.04913	12.9
121.02885	29.2
121.06535	6.8
123.04407	14.5
123.98304	5.6
127.03905	5.6
133.06485	7.2
135.04401	23.9
139.03873	7.4
145.06494	7.2
147.04378	24.3
149.02455	7.7
159.04407	7.7
163.03909	8.6
165.01802	10.9
167.08942	6.8
173.02321	7.5
173.05978	14.0
175.00252	10.5
175.07593	6.8
177.01819	9.9
177.05475	17.0
179.03354	7.7
183.02954	8.6
187.03928	7.7
187.07339	6.6
189.01868	16.0
191.03442	21.1
195.02829	41.7
201.05479	14.1
203.03433	9.0
205.01256	8.2
207.02866	38.5
215.03416	13.2
219.02859	91.8
223.02370	14.2
225.03899	30.4
229.04965	14.5
231.02820	39.1
233.04509	15.7
237.04042	12.6
243.02939	17.8
243.06523	8.0
249.03908	25.9
255.02867	7.4
257.04535	16.4
261.03912	100.0
273.03976	39.5
279.04910	10.7
283.06018	7.6
285.03915	47.2
291.04968	29.9
291.10785	7.9
297.04056	17.9
297.07297	8.7
299.05484	13.8
303.04968	45.3
315.05096	15.6
321.06177	18.0
327.04984	36.6
327.08716	20.8
339.08154	29.7
345.05789	7.8
351.08896	10.4
357.05963	11.0
363.06958	29.5
381.09729	24.7
393.09702	30.2
405.08466	20.6
417.09656	10.0
423.10107	26.1
429.11725	23.3
441.11023	24.6
442.10834	8.1
447.10739	21.4
459.12549	17.2
483.12393	10.7
507.12253	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	597.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	10.2
57.03405	4.8
61.02906	3.8
62.26225	3.5
65.03917	4.8
67.05496	4.3
70.06602	5.9
72.08125	4.8
79.11271	3.7
81.03399	9.2
83.04966	4.0
84.04455	4.0
85.02508	3.6
85.02906	36.8
86.09703	5.1
89.31251	3.9
90.42503	4.0
91.05484	7.6
91.19412	4.0
93.03389	16.6
94.12717	4.5
95.04956	10.5
97.02882	16.4
103.03945	7.0
105.03374	5.7
107.04947	31.2
109.02861	22.5
109.68275	3.7
111.04427	5.4
117.07006	5.3
119.04936	15.3
121.02863	28.0
121.06503	12.9
123.04447	15.4
131.04901	9.5
133.06451	6.6
135.04439	19.3
139.03923	8.2
145.02855	4.2
145.06519	8.3
147.04393	28.8
147.08109	4.6
149.02336	6.1
151.03906	8.1
153.01910	6.1
158.04193	4.3
159.04420	12.9
161.02310	5.3
161.05988	10.1
163.03906	12.3
165.01929	7.4
170.50418	5.5
173.02280	5.5
173.06021	15.3
175.03928	9.1
177.01810	15.1
177.05432	5.1
183.02911	8.9
185.05960	5.6
187.03838	10.0
189.01796	25.3
189.05542	6.8
191.03436	17.5
195.02835	50.7
201.05473	19.6
203.03511	14.0
205.01360	9.1
205.04990	7.6
207.02931	47.2
215.03378	17.3
217.05054	6.9
219.02885	98.8
219.04703	3.5
221.00693	5.4
221.04417	10.8
223.02394	15.7
225.03912	35.1
229.04990	18.0
231.02824	37.0
233.04382	24.2
237.03894	38.8
237.93588	6.0
243.02890	26.8
243.06551	5.1
245.04726	5.4
249.03867	28.2
251.01999	5.9
255.02797	6.3
257.04480	16.7
259.02579	7.8
261.03918	100.0
262.75150	4.7
269.04428	6.1
271.05939	9.5
273.03946	43.6
285.03873	47.9
287.05472	4.9
291.05066	25.4
297.04034	14.3
297.07458	12.2
299.05566	16.9
303.04941	31.3
309.07639	7.5
315.05048	12.2
321.06009	17.2
327.04974	37.4
327.08667	23.7
329.28174	6.4
339.08725	32.3
345.06082	13.4
351.08591	16.0
357.05933	13.4
363.07068	26.6
381.09824	28.0
387.07117	9.4
393.09402	28.0
405.08459	34.6
411.10577	12.1
417.09946	6.5
423.10175	19.0
429.12164	25.6
441.10883	29.2
447.10724	17.6
459.12415	18.4
465.11713	8.8
477.11661	7.8
483.12781	9.6
495.12643	10.1
507.12918	6.6
525.13477	6.8
543.14899	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	597.233
Annotation	Kadsuphilol C
Peak:m/z	Relative Intensity
54.84936	2.8
55.01847	6.0
56.10048	2.6
76.03102	3.5
79.05471	5.8
80.80882	3.4
90.01166	3.0
91.05504	8.1
95.04942	6.8
95.23010	3.1
97.21512	3.3
107.04922	6.9
108.02080	3.7
111.21320	3.0
119.04912	9.2
121.06483	2.8
125.06013	3.6
128.06203	5.0
129.06993	10.8
131.05005	3.3
131.08578	11.3
133.06509	4.2
135.04378	6.2
137.05962	43.1
141.05585	3.0
141.06914	5.5
144.05728	7.6
145.06453	6.3
146.07272	3.1
147.04399	12.1
147.08081	5.1
149.05952	7.7
151.03891	100.0
151.04959	4.0
157.06491	5.1
159.08034	12.6
159.52388	3.2
161.05974	3.7
161.09593	7.2
165.05399	4.7
171.08047	17.1
173.06032	3.9
174.06766	8.5
175.07571	6.0
178.06203	4.2
179.07080	9.1
179.43675	2.7
185.05992	3.7
187.07562	19.9
189.06952	3.0
189.09090	13.6
191.07074	3.4
195.06563	3.8
199.07585	8.0
201.09119	7.9
203.08658	7.9
205.06508	3.9
217.08612	9.7
219.10088	5.3
231.08026	13.0
247.07649	3.4
248.05957	3.8
248.08328	15.5
261.11221	9.4
263.10696	15.2
265.08875	4.9
276.07935	7.4
277.08545	4.0
291.10101	23.1
305.11823	3.8
323.12708	57.7
365.13763	12.0
381.13229	45.0
383.15060	8.7
395.15103	4.8
413.15894	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16435	2.8
67.75152	3.3
68.48856	3.1
77.55566	2.8
91.05483	4.1
95.04973	5.8
100.67229	3.3
100.84443	3.7
108.02088	6.8
111.04444	6.2
122.03674	6.0
125.06026	3.9
137.05963	56.7
137.06941	4.0
151.03900	100.0
151.04993	9.5
151.07536	4.2
201.09145	5.2
213.09114	5.0
245.11853	6.2
277.08426	3.8
333.11203	4.9
365.13730	40.0
383.14941	11.1
395.15057	12.6
413.15973	5.2
486.33405	4.6
501.18927	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	597.2702
Annotation	Tiegusanin J
Peak:m/z	Relative Intensity
86.60992	4.8
99.96085	5.1
101.61064	5.7
102.91933	5.2
113.08276	7.0
124.31320	5.7
397.10547	5.9
455.03989	7.3
597.27087	100.0
600.02026	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	597.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.9
58.84077	3.7
67.05512	10.3
67.06949	5.1
79.05521	11.7
81.07066	13.7
91.05470	6.0
93.07076	7.2
95.08630	6.4
105.07069	10.1
109.06547	5.3
117.07028	9.6
131.08589	14.4
135.08229	5.4
145.10144	6.9
147.04401	7.2
325.21774	7.9
391.85287	6.5
417.22308	23.3
417.26886	13.9
435.23557	19.3
450.49823	5.9
464.13953	6.5
597.28833	100.0
620.67657	5.3
622.77887	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	597.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	15.5
57.03416	12.5
57.07060	6.2
60.86139	2.5
67.05494	46.7
69.07050	24.0
78.28094	2.8
79.05488	8.4
81.03411	3.1
81.07045	44.6
83.08595	9.4
91.05471	8.5
93.07025	12.0
95.08596	29.1
97.10189	4.9
98.98466	15.1
105.07017	4.3
107.08581	6.8
109.02872	4.6
109.10153	12.0
119.08539	3.8
121.10134	4.0
123.11731	3.7
127.81736	3.4
147.11691	3.1
164.96048	2.9
337.27328	100.0
338.27209	3.7
342.23114	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	597.3035
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
50.62192	2.1
53.00301	3.0
55.05511	24.0
55.18952	2.0
57.03439	11.8
57.07070	5.7
67.05494	50.5
67.05825	3.2
68.93144	1.9
69.07059	30.7
69.07355	2.9
79.05515	8.8
81.03419	4.8
81.07052	48.6
81.07476	3.7
83.05012	2.5
83.08619	16.5
91.05496	8.0
93.07026	15.0
95.08607	37.9
97.10182	4.9
98.98464	11.7
105.07069	5.8
107.08627	8.3
109.02908	2.9
109.10146	17.3
114.45937	2.7
119.08610	4.6
121.10214	7.2
123.11775	3.6
128.37933	2.4
133.10191	5.2
135.11687	5.8
147.11781	3.2
155.01076	3.3
164.07657	2.7
245.22716	3.8
296.10248	2.8
329.83072	2.6
337.27347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	13.6
55.70807	3.6
57.03421	7.4
59.82721	3.8
67.05219	3.8
67.05499	39.6
69.07066	12.9
72.04252	4.1
79.05486	21.9
81.07047	53.6
83.08610	8.1
91.05460	49.1
93.07030	36.2
95.04964	12.6
95.08578	27.4
97.06525	8.4
105.07014	41.4
107.08588	19.9
109.06521	6.1
109.10146	10.3
117.06989	29.6
119.08565	20.8
121.06484	6.7
121.10166	9.9
128.06195	5.3
129.07011	15.7
131.08543	43.1
133.06503	5.0
133.10117	15.1
141.06979	7.2
143.08539	17.0
145.10139	12.6
147.07982	8.4
149.09674	6.7
153.77635	4.5
155.08545	13.6
157.10201	7.5
159.11668	12.6
167.08502	4.4
169.10123	5.9
171.11679	14.3
174.22223	4.2
183.11719	11.4
185.13254	6.7
195.11575	7.5
199.11214	7.4
201.12643	6.1
209.13309	5.1
213.12819	5.3
223.14867	5.2
315.23236	6.7
325.21582	27.7
343.22565	24.0
361.23752	20.2
417.26328	100.0
435.27594	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	597.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	11.8
57.03420	4.1
57.48507	2.2
62.86168	2.0
66.38536	2.1
67.05499	30.8
69.07053	12.1
71.43736	2.1
79.05486	23.4
81.03412	2.8
81.07046	27.0
83.08608	7.7
91.05469	28.2
92.40985	2.3
93.07040	26.0
95.04958	4.7
95.08590	16.6
97.06557	3.9
103.05471	3.0
105.07038	21.7
107.04941	7.6
107.08602	8.9
109.06531	3.2
109.10116	3.5
109.87183	2.2
117.07006	15.7
119.08560	11.8
119.30233	1.9
121.06446	2.8
121.10136	12.1
123.08045	3.7
126.86707	2.8
128.06221	3.5
129.06985	15.5
129.27307	2.7
131.08566	27.5
133.06494	4.9
133.10112	8.8
135.08087	4.1
135.11670	4.7
139.77780	2.4
141.07022	6.7
143.08553	12.9
145.06398	3.2
145.10114	17.6
147.08041	6.0
147.11714	4.5
149.09523	4.1
155.08545	7.5
157.06534	3.5
157.10124	8.0
159.08159	3.8
159.11693	11.0
161.09688	4.2
167.08647	4.4
169.10124	10.6
171.11693	8.1
175.11169	2.8
181.10126	5.4
183.11702	8.2
184.23480	2.8
185.09721	6.1
185.13268	6.2
187.11165	5.0
195.11711	4.5
197.13310	4.9
199.11157	7.2
219.07822	3.2
219.13702	3.1
294.08417	3.1
297.22186	5.1
307.20609	3.2
315.23248	6.0
325.21671	25.9
343.22659	17.7
361.23865	7.2
417.26318	100.0
435.27350	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	597.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54850	3.2
57.32268	3.1
69.07047	5.3
72.08134	27.7
86.09688	100.0
108.34318	3.5
119.54862	4.0
132.12421	4.4
157.13400	10.0
159.11282	12.4
171.60249	4.4
185.12889	10.0
185.16530	4.8
187.10759	9.2
211.90340	4.7
254.15157	5.6
282.17917	6.6
353.21802	7.4
446.90863	5.0
466.30222	9.1
484.31387	10.1
555.70074	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	597.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68179	7.9
55.01876	27.6
55.05510	32.1
55.52158	6.6
57.03445	13.5
57.07061	7.2
67.05494	64.4
67.05780	5.9
69.07063	100.0
70.56386	6.8
78.92704	6.8
79.05490	49.8
81.07053	95.1
83.08642	7.3
91.05467	62.2
91.71066	9.3
91.72817	9.0
91.96885	7.6
93.06582	9.4
93.07033	50.1
95.05002	16.4
95.08643	37.6
97.06554	34.5
105.07040	55.2
107.04961	20.5
107.08635	29.9
109.06531	22.0
111.03107	8.6
117.07060	27.5
119.08602	39.0
121.10188	26.0
125.88508	8.1
128.51201	9.2
129.06978	13.5
131.08607	29.4
133.10162	30.0
135.08099	12.6
143.08649	20.5
145.10194	29.7
147.11763	29.9
149.09697	25.0
151.11166	11.1
155.08624	10.2
157.10109	15.4
159.08096	10.8
159.11757	25.7
161.13283	9.9
169.10201	10.3
171.10283	10.9
171.11696	18.2
173.13277	19.8
181.10260	11.4
183.11865	12.4
185.13219	8.3
247.17125	8.2
256.07407	9.5
257.35141	9.8
259.20648	11.5
275.20154	10.0
284.47101	9.6
333.24362	10.3
376.42609	9.6
380.35828	9.4
570.34393	11.1
579.40552	13.4
597.41553	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	597.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	11.3
67.05496	81.4
68.76993	2.8
69.07055	13.7
79.05479	14.4
81.07048	100.0
83.08604	14.3
91.05479	16.1
93.07037	24.0
95.08601	77.4
97.06514	7.1
97.10148	7.0
105.07008	5.5
107.08607	16.1
109.10153	54.7
111.08076	3.5
119.08585	9.9
121.10146	20.4
123.11704	18.3
133.10124	13.8
135.11693	14.7
137.09618	5.9
137.13263	9.2
143.47836	3.2
145.10103	4.5
147.11722	4.5
149.13264	5.7
151.11183	8.3
155.10678	5.4
159.11710	5.4
168.12466	3.1
174.28384	3.0
174.86761	2.8
177.12737	3.9
181.12212	4.1
195.13879	6.0
207.13358	3.3
215.17877	25.5
233.18924	23.2
251.20024	75.2
269.21198	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	597.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64648	4.0
67.05493	89.6
69.07057	11.7
79.05489	6.5
81.06599	7.5
81.07050	100.0
83.08620	12.7
89.58589	5.0
91.05470	16.4
93.07031	28.0
95.08597	98.8
105.06982	13.1
107.08591	21.3
109.10167	49.9
111.08068	8.9
119.08604	15.8
121.10154	22.4
123.11699	17.2
131.08580	6.2
133.10136	22.3
135.11688	22.4
137.09656	7.3
137.13280	7.1
147.11731	6.6
149.13290	10.4
151.11206	13.0
155.10747	6.4
215.17935	25.3
233.18846	26.3
251.20055	75.3
269.21188	6.1
271.45782	5.6
322.52789	5.8
362.08826	5.9
523.45514	7.2
559.19977	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89658	6.1
55.01849	5.0
57.03168	6.2
57.03430	100.0
58.39011	5.2
58.88105	4.9
58.99572	15.1
61.08452	5.3
69.03419	6.6
70.04340	5.2
70.06576	12.3
73.02902	10.2
76.02203	25.7
79.05486	6.7
79.22183	5.6
81.07046	60.8
84.04489	40.7
85.01119	6.6
85.02896	18.0
90.70167	5.6
97.06554	8.8
98.09694	12.7
98.45859	5.5
99.08088	42.0
100.02180	6.4
109.76148	6.3
116.01673	24.8
130.04990	12.9
139.05801	6.1
140.23308	6.1
144.01108	9.9
147.04440	11.2
156.08418	29.4
162.02162	38.5
179.04852	18.2
195.02943	14.5
210.11418	7.1
233.06160	6.5
255.11357	16.3
259.11090	75.7
273.09433	7.2
275.58966	7.1
291.10703	17.6
308.09198	8.3
316.09387	7.1
406.16354	12.6
460.94254	6.9
469.14539	14.3
541.14423	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	598.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11740	3.2
53.80160	3.7
57.03437	20.5
57.47731	3.5
59.04971	4.4
61.02901	5.5
63.98951	2.9
67.38053	3.7
69.03419	100.0
71.04964	4.2
73.86242	3.8
75.37215	3.7
81.03404	9.7
81.07043	10.8
83.04973	7.3
84.04473	4.8
85.02427	6.5
85.02901	85.4
87.04457	44.1
97.02886	81.5
99.04428	4.0
115.03909	81.6
115.04633	6.3
124.07351	5.1
127.03883	20.6
129.35724	3.9
133.04955	53.9
137.13248	18.7
139.03874	10.6
143.03406	5.7
145.04968	23.3
147.04466	4.6
157.04919	5.8
163.05981	5.8
174.07709	5.3
175.05998	7.2
193.04932	5.0
211.06059	4.7
229.07040	29.1
247.08136	9.5
259.08163	6.2
265.09143	37.8
295.10245	8.8
317.19666	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	18.1
60.04489	4.6
62.83287	4.3
69.03088	8.6
69.03421	100.0
69.46890	5.3
73.02930	4.6
81.03396	13.8
81.07053	17.3
83.04980	6.3
85.02891	74.8
87.04462	42.1
91.71141	7.2
95.57543	5.4
97.02882	98.5
99.04460	13.5
111.04417	5.4
115.03915	96.4
118.31593	4.9
124.31544	4.9
127.03916	20.2
133.04980	55.7
137.05978	21.1
137.13246	15.8
139.03894	11.5
145.04942	26.1
150.07610	10.9
157.04970	14.4
211.06052	6.2
219.10104	6.3
227.94591	5.6
229.07013	36.0
247.08160	15.3
256.06366	7.0
265.09167	32.9
287.18680	6.9
295.10226	9.4
317.19608	12.7
351.19614	5.9
367.15259	11.5
588.42804	7.2
606.94348	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	598.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82138	3.6
57.03420	15.7
62.52266	3.7
68.39114	3.7
69.03421	100.0
81.03416	14.1
81.07038	65.0
81.07477	5.7
83.04953	5.0
83.38254	4.0
85.02897	61.3
87.04458	48.9
87.37817	4.5
95.08627	6.5
97.02879	91.4
99.04465	7.8
101.02441	4.2
112.03107	4.1
112.92401	3.9
115.03928	79.9
120.23473	4.1
123.04437	4.6
127.03914	19.8
131.03355	6.7
133.04948	60.4
137.13251	69.0
139.03943	9.6
145.04951	22.0
150.07608	8.1
157.04959	10.5
174.07678	5.0
185.01563	5.3
193.05133	4.8
211.06032	9.8
229.07036	31.6
245.34874	4.5
247.08214	14.2
259.08252	6.4
265.09143	33.1
295.10321	16.2
296.56064	5.8
311.46005	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	598.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	21.0
59.97752	4.8
69.03415	100.0
73.31933	6.2
76.04276	5.2
81.03403	10.0
81.07045	27.5
82.05467	6.3
83.01311	5.8
83.04974	7.1
85.02884	62.7
87.04458	56.5
91.71014	7.6
95.08617	13.1
97.02880	79.9
97.03478	7.6
99.04447	14.7
109.02869	6.0
109.10104	7.5
111.04432	5.7
115.03910	67.4
115.33716	6.6
127.03909	17.2
133.04919	52.5
137.13228	41.2
139.03958	12.8
145.04965	14.3
155.14366	20.5
157.04991	13.9
229.07082	30.6
247.08134	16.1
265.09201	28.8
305.79907	6.7
317.19547	15.1
356.01767	7.6
401.05206	7.3
516.82306	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	598.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81181	4.7
53.03936	5.9
55.01855	16.2
57.07064	26.1
69.03414	24.3
69.07044	7.3
71.04968	8.4
71.08627	16.6
73.02910	7.7
75.58495	5.0
80.14182	5.2
81.03415	28.7
81.07039	11.7
83.04987	5.8
83.08616	8.3
85.02892	15.4
85.10177	13.2
94.53573	6.3
95.08601	12.1
97.02874	35.4
98.21426	6.3
99.04443	53.2
105.39363	6.0
108.98591	5.7
109.02844	42.8
109.10183	6.9
116.09312	5.6
121.26752	7.0
127.03917	100.0
145.04997	9.1
180.22391	5.9
228.48277	6.3
239.23680	9.9
346.75580	6.6
359.24396	6.0
383.27884	26.1
401.29007	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	34.3
69.07049	6.4
69.52304	3.2
70.41297	2.8
70.55998	2.8
71.08617	36.7
73.06528	4.9
74.35534	3.0
79.83183	3.1
85.10145	20.5
87.04419	5.2
89.06020	100.0
89.16973	3.5
99.11759	3.2
102.63165	3.5
111.11694	6.2
117.09131	7.6
130.08661	14.9
130.85732	3.5
133.08603	50.2
177.11118	19.5
283.30289	4.2
371.23016	4.6
522.63495	4.1
581.46472	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	598.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	33.6
71.08612	32.5
74.00854	5.9
85.10170	25.3
87.04468	13.3
89.06025	100.0
91.71073	12.7
105.07049	7.8
107.09275	6.5
130.08640	21.8
133.08589	79.2
177.11211	31.4
193.73364	7.2
262.15378	7.4
368.55301	9.7
371.22766	17.5
503.33649	9.6
581.46014	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	599.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70916	0.4
53.03935	0.5
54.89093	0.4
55.01873	1.3
57.03419	0.5
58.35372	0.4
79.05494	0.8
81.03384	0.9
85.02912	2.7
91.70953	0.5
92.13756	0.5
93.71980	0.5
95.04942	1.6
97.02882	0.9
97.92128	0.5
103.03951	0.5
107.04948	100.0
109.02882	0.9
111.05278	0.6
121.02868	1.5
121.06415	0.6
122.60770	0.5
127.03919	0.6
131.04919	1.6
139.03883	0.7
145.06453	0.6
147.04410	1.6
149.05937	0.7
151.03905	1.4
159.04471	0.6
161.05960	0.8
163.03899	1.9
171.04422	0.8
173.05896	0.7
175.03947	1.8
177.05544	1.1
177.33481	0.5
181.04967	1.5
185.06044	0.5
187.03838	1.3
189.05385	1.9
191.03381	0.9
193.04901	1.9
197.05933	0.7
201.05565	1.1
205.04958	3.8
213.05348	0.7
217.04919	3.2
219.06592	1.2
221.04437	0.9
223.06061	1.5
229.04956	1.5
231.06491	1.1
235.06017	2.3
241.04990	1.2
243.06529	0.9
245.08156	0.6
247.06012	3.4
255.06429	0.8
259.06009	5.0
267.06641	0.7
269.04803	0.5
271.06036	1.8
277.07272	0.8
283.06021	1.5
289.07065	2.1
299.09128	1.1
301.07010	2.5
311.09161	0.7
313.07077	1.8
317.10190	1.0
323.09186	0.7
325.06998	1.1
329.10126	2.6
341.10138	2.6
343.07916	0.9
353.10165	3.5
365.10291	2.8
377.10223	1.3
383.11206	2.8
385.79483	0.6
395.11282	3.6
407.11182	4.4
413.12161	1.2
419.10870	2.4
425.12234	2.2
430.03735	0.7
431.13348	6.0
433.66061	0.7
443.13229	1.3
449.12201	2.9
461.13229	1.6
467.13452	1.4
473.12268	0.9
479.13605	1.1
485.14554	1.6
497.14279	2.6
509.14499	1.4
527.15442	0.6
545.16437	0.8
608.13629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04420	6.3
53.85839	5.0
62.45415	5.7
62.49770	6.6
65.84827	5.6
74.00452	6.1
75.69534	6.2
81.03412	68.3
83.23518	6.6
91.05518	14.0
103.05494	8.0
107.05000	23.3
107.96339	6.1
115.05443	14.7
117.07006	14.8
118.04212	8.1
123.04440	12.7
124.05170	10.6
131.04948	8.3
132.05795	9.9
135.04398	7.5
137.06012	8.3
145.06470	33.8
146.03679	25.8
147.04463	28.0
151.03938	7.9
153.05473	78.4
159.08112	8.8
161.06012	16.0
163.03989	14.8
165.05533	21.9
167.07030	86.2
168.07755	16.4
173.05992	34.2
175.07483	8.2
177.05533	27.8
178.06230	34.2
179.07149	22.5
181.05006	8.1
187.07530	8.8
189.05563	11.8
190.06332	25.4
191.07045	17.7
203.07086	18.0
203.10709	8.3
205.08586	60.1
208.05244	17.5
217.08655	26.1
224.08246	7.5
225.05496	7.7
234.06743	7.8
235.09798	11.5
247.07539	8.4
254.05760	13.1
257.08057	8.5
265.08691	8.5
269.08069	10.2
271.06155	12.7
276.48642	8.8
279.10388	9.1
286.08414	22.4
292.07306	10.9
299.09283	19.7
307.23792	7.9
309.07410	8.4
314.07932	10.1
315.08585	100.0
317.10385	14.4
339.12604	17.3
357.09555	9.0
367.11902	15.3
385.12973	16.9
510.15182	45.7
563.19342	11.8
580.83051	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	599.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73525	2.1
51.82141	2.1
55.05503	27.4
57.07065	3.0
65.52365	2.0
69.07051	3.8
70.06581	5.3
81.07030	3.1
82.06577	9.3
83.04977	6.3
83.08617	25.8
85.06522	2.7
93.96548	2.3
94.54164	2.2
98.09692	3.1
98.54209	2.3
100.07619	20.8
100.11250	86.8
100.54955	2.2
102.10542	2.5
103.77503	2.7
111.04422	25.2
112.07613	9.0
126.09145	5.6
128.07065	28.5
129.05440	2.9
140.07053	12.5
164.14397	2.7
182.15388	86.5
192.13885	2.9
209.16483	16.4
210.14864	100.0
226.19133	3.7
227.17545	6.1
228.15987	15.5
245.18573	7.2
327.61441	2.9
336.22607	4.7
337.21185	12.9
355.22290	13.4
453.33548	3.5
454.32889	6.1
482.35876	3.3
563.38141	9.2
581.39099	36.2
599.39941	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66380	0.6
53.44906	0.6
57.07065	0.7
58.64385	0.7
62.28987	0.6
66.46140	0.5
69.07075	1.0
74.49249	0.6
76.06721	0.6
78.52791	0.6
94.04181	1.7
96.56526	0.8
107.40466	0.7
109.16813	0.6
110.14729	0.6
122.03610	4.5
129.29160	0.6
137.05969	100.0
138.06310	1.0
149.67502	0.7
149.91331	0.8
170.15366	1.6
182.15407	2.7
186.90282	0.8
251.87225	0.9
261.55145	0.8
294.20499	1.3
303.23657	0.7
306.20486	2.5
454.83215	0.8
463.99936	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11983	6.6
55.01856	12.6
55.05493	24.3
57.03448	8.8
62.88135	8.3
67.05495	84.8
69.07061	33.4
79.05480	45.1
80.29464	6.9
80.73960	8.2
81.07050	100.0
83.08618	16.1
91.05470	53.8
91.70100	8.0
93.07040	72.9
94.88605	7.0
95.04937	21.3
95.08601	67.6
97.06531	16.6
105.07023	47.3
107.04953	13.0
107.08601	48.3
108.78771	7.9
109.06502	11.0
109.10154	21.9
110.41315	8.1
111.15789	6.6
114.56820	7.6
117.07005	17.5
119.08572	38.5
121.10150	33.2
131.08545	23.0
133.10138	21.6
135.08051	10.6
135.11674	23.0
143.08607	9.1
145.10132	31.4
147.11729	13.3
149.09624	17.5
153.15457	7.9
159.11635	14.2
161.13316	10.2
171.11740	9.4
185.13184	9.7
192.34117	8.1
197.97525	9.2
201.16339	11.3
220.74048	8.0
247.16978	13.6
329.05164	9.5
335.25607	13.6
435.40933	9.5
581.42218	16.9
599.42871	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	599.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	41.9
57.03433	15.3
57.07078	9.7
60.50542	9.5
66.43720	7.6
67.05495	90.1
67.05782	9.1
67.22856	8.6
69.07068	43.9
70.05185	8.8
71.48261	9.6
79.05487	62.0
81.07045	100.0
81.58009	13.8
83.05016	12.9
83.08622	50.1
91.05505	43.9
91.71731	16.5
92.96967	10.4
93.07027	92.3
95.04977	28.8
95.08595	69.3
97.10152	9.9
105.07088	33.0
107.04966	10.5
107.08625	46.0
109.06551	12.9
109.10191	25.5
111.08103	15.1
114.24994	12.3
119.08591	26.6
121.10162	29.6
131.08588	30.6
133.06458	10.5
133.10175	29.9
135.08109	20.9
135.11742	25.5
135.69618	10.1
145.10143	18.2
147.11729	13.0
149.09654	31.8
161.13358	11.9
187.14801	11.9
190.50484	12.8
201.16382	17.3
204.26791	12.1
219.17575	31.3
247.16983	17.4
303.70209	11.0
313.84396	13.4
335.25711	12.5
599.42871	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	599.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76830	7.4
55.05496	24.3
56.98289	6.5
57.03443	7.4
65.75529	7.3
67.05226	6.6
67.05499	75.3
69.07050	17.8
74.41909	7.1
75.33132	6.8
79.05481	41.4
81.07036	100.0
83.08611	13.0
85.01479	7.7
85.06553	8.4
90.36292	7.7
91.05460	40.7
93.07047	52.0
95.08605	65.1
105.07017	32.5
107.08578	26.4
109.06445	8.0
109.10114	15.6
109.79422	9.0
117.06959	10.9
119.08585	13.7
121.10144	24.3
123.08080	14.9
131.08542	15.0
133.10133	16.4
135.08089	16.7
135.11707	13.7
137.09610	9.0
137.13113	11.4
137.44684	10.0
137.56618	9.0
145.10110	16.6
149.09653	18.6
159.11694	15.5
173.13210	10.7
247.16971	15.7
286.68124	9.7
321.20547	18.6
335.25836	14.1
381.83923	10.6
456.18256	12.0
510.72598	9.6
528.31354	9.3
581.41595	12.0
599.42755	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	600.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52998	0.5
76.03828	0.5
76.44930	0.5
91.05482	1.3
94.04170	1.2
103.05485	0.6
105.03264	0.7
107.04940	2.3
122.03635	4.3
129.06996	1.2
131.04875	0.7
131.08549	0.6
137.05968	100.0
141.07002	0.6
151.07530	0.7
157.06432	0.9
158.07271	0.8
159.08020	1.8
163.07564	1.3
170.86171	0.6
174.06728	1.4
175.07515	1.0
181.08629	1.3
189.09029	3.5
192.04797	0.6
197.78285	0.6
201.09027	0.9
219.10126	4.6
227.33162	0.8
337.14313	2.8
348.07678	0.6
367.15250	1.5
399.18030	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	600.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	9.1
57.99475	3.8
58.50617	3.2
67.05495	25.8
69.07057	10.5
76.02202	4.7
79.05477	13.4
81.07050	51.2
83.04944	4.9
83.06117	6.2
83.08580	9.3
84.04475	9.6
86.88874	3.9
91.05488	6.8
93.07023	19.1
95.04964	5.6
95.08613	23.2
97.01099	5.1
99.01412	11.8
100.02206	17.1
105.07037	13.9
107.08568	8.2
109.06502	7.4
109.10157	7.6
112.02184	13.9
113.00566	4.0
113.02954	5.0
114.03782	14.1
115.20025	4.1
115.28815	3.9
116.01680	5.3
119.08565	6.6
123.02626	4.1
123.53158	4.4
126.03725	5.5
129.72226	3.8
131.08607	8.9
140.05290	13.8
145.10051	5.7
147.11665	8.2
149.13289	4.6
167.86183	4.8
168.08415	26.8
248.16582	5.0
255.07918	6.5
264.14182	7.0
270.10370	15.1
275.20068	8.8
282.15207	48.2
286.81912	5.0
287.49774	4.5
308.09183	5.6
333.18979	5.7
350.21518	13.6
368.22461	13.1
384.17093	12.0
436.42529	5.2
453.24060	100.0
454.24536	7.7
465.12177	5.3
519.30975	4.5
600.28796	7.4
602.83704	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	600.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33577	1.4
55.05496	4.1
55.58471	1.4
57.03424	11.8
57.72258	1.8
69.03413	5.9
69.07059	7.6
71.01350	1.8
71.04983	83.9
73.02905	5.8
74.06014	1.4
75.04461	6.7
75.32545	1.5
76.12750	1.4
78.72188	1.6
81.03405	1.7
83.04974	24.5
85.02896	100.0
86.06059	4.5
88.21613	1.4
91.71046	2.2
95.04977	3.9
97.02890	2.7
98.65674	1.8
99.04435	3.0
103.03919	1.8
109.02892	2.1
111.04427	14.7
113.06025	2.0
117.05488	2.5
127.03883	4.0
129.05466	33.8
146.08234	1.6
147.06528	13.8
153.05453	5.1
163.06035	2.0
164.09181	4.5
188.09207	3.1
201.07704	2.4
239.09189	9.1
248.54745	1.6
257.10123	2.5
275.11121	3.8
293.12286	5.5
309.11697	3.6
515.56195	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	600.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45705	7.0
55.05495	13.2
55.47740	7.4
55.66270	7.0
56.93196	5.6
57.07061	12.3
65.63203	7.5
67.05482	26.8
69.03431	13.6
69.07039	20.7
70.57909	6.8
71.04935	6.7
79.05485	30.2
80.09840	11.1
81.07053	53.9
83.04958	15.3
83.08611	11.7
89.06049	12.8
91.05463	68.5
91.70985	14.4
93.07036	69.1
95.04948	27.1
95.08598	56.8
97.06528	10.2
105.07026	100.0
107.08579	53.8
109.06489	20.3
109.10110	19.7
109.35017	8.6
117.07028	14.6
119.08562	71.3
121.06516	17.0
121.10146	50.3
122.67229	8.4
123.08040	27.5
128.06187	13.2
129.06992	21.4
131.08629	41.8
133.10095	45.0
135.08092	16.0
135.11639	12.2
137.09619	19.5
142.07799	14.9
143.08563	39.5
145.10101	59.2
147.08060	29.5
147.11626	24.0
149.09644	12.5
151.07559	15.7
155.08571	11.2
156.09343	16.1
157.10141	62.0
159.08067	11.8
159.11714	31.2
161.09596	21.7
163.11206	14.3
165.09116	31.9
167.91788	9.4
169.10172	19.6
170.10883	9.1
171.11676	27.6
173.09669	12.5
175.11223	12.8
181.10132	16.1
183.11705	13.6
185.13155	13.6
187.11105	9.8
195.11624	13.6
197.13255	18.5
198.10355	10.1
203.14349	16.2
207.11674	10.5
209.13251	15.6
211.14651	12.2
213.12822	14.9
221.13460	14.8
221.15288	57.4
233.15521	12.9
234.16034	11.9
237.14729	17.5
255.17384	23.4
271.16983	13.2
287.20068	10.7
303.19556	31.4
337.58594	10.6
352.23907	48.7
365.24896	14.1
507.34875	13.4
520.35516	33.2
600.41205	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87526	6.1
55.05499	22.9
57.07070	13.9
59.06536	5.1
65.03915	11.6
67.05485	57.3
69.03409	17.4
69.07056	27.1
70.06583	45.2
79.05490	36.0
80.05774	5.9
81.07050	64.9
83.04965	30.4
83.08617	12.7
83.28468	6.8
85.06504	8.1
89.06020	20.6
90.19945	6.4
91.05466	77.5
93.07033	91.1
95.04946	34.0
95.08590	54.2
97.06557	6.9
105.07020	100.0
107.08586	70.1
109.06514	21.9
109.10166	23.5
116.07092	57.0
117.07018	24.3
119.08569	97.4
121.06522	16.5
121.10136	57.0
123.08082	30.0
125.05979	8.3
125.09628	11.8
128.06218	15.6
129.07008	20.0
130.07823	9.1
131.08537	47.3
133.06554	12.8
133.08603	16.1
133.10112	60.6
135.08086	25.0
135.11723	21.2
137.09694	17.5
139.07491	8.6
141.06985	9.3
142.07767	20.4
143.08540	57.6
144.09279	15.1
145.10103	73.3
147.08070	30.8
147.11684	8.3
149.09628	24.4
151.07504	21.5
155.08528	13.3
156.09309	15.0
157.10120	77.2
158.10835	9.3
159.08015	11.6
159.11635	40.4
161.09604	16.3
163.11159	18.8
165.07098	8.3
165.09105	38.6
167.08620	9.8
167.10684	16.3
169.10130	27.7
170.10907	10.5
171.11693	37.4
172.12422	9.6
173.09546	11.7
173.13310	19.4
175.11188	25.7
179.08531	13.1
183.11707	22.4
185.13277	23.8
187.11148	9.7
189.12781	11.4
190.13461	11.2
193.10136	11.0
193.12120	10.7
195.11694	19.5
197.13274	15.8
198.10663	8.7
199.11177	12.7
203.14363	15.2
207.11823	15.7
207.13744	15.2
208.12526	14.9
209.13211	19.8
211.14865	14.5
213.12720	10.1
219.13727	11.4
221.13316	11.1
221.15349	65.4
233.13275	14.3
233.15408	21.2
234.16150	8.2
237.14679	33.1
241.26236	9.8
248.14145	13.8
255.17438	30.8
261.16266	8.3
281.18921	11.2
290.52719	10.0
299.20288	9.8
303.19556	44.8
313.21530	11.0
325.21124	10.1
337.21622	11.3
352.23923	79.0
365.24704	9.2
377.24500	8.8
378.17194	9.0
386.54730	8.5
415.25616	8.8
520.35760	41.5
589.74402	8.0
600.41473	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	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	20.8
56.49156	16.8
61.26142	17.0
64.76247	18.2
67.05486	61.1
67.18475	18.6
69.07064	19.5
70.85461	20.3
78.41598	16.5
79.05479	22.6
81.07037	81.2
89.06018	58.9
91.05471	77.2
91.70957	23.7
93.07027	94.5
95.04942	29.1
95.08606	71.7
105.07018	93.4
107.08603	56.7
109.06515	40.4
109.10129	20.9
117.07038	37.1
119.08575	100.0
121.10140	60.1
124.06662	19.9
129.06995	29.7
131.08615	26.3
133.06445	24.2
133.08618	27.8
133.10100	50.1
141.21236	22.4
142.07790	36.2
143.08578	31.0
145.10104	57.3
147.08107	38.4
147.09427	20.8
149.09669	22.6
151.07527	33.2
156.09229	28.1
157.10138	71.7
159.08047	26.1
159.11664	53.1
161.09656	26.0
165.09178	53.8
169.10158	25.7
171.11719	46.1
175.11040	24.4
177.11223	25.9
183.11531	27.6
185.13312	28.6
195.11674	33.1
201.81035	24.2
209.13246	29.4
221.15395	76.1
230.74170	24.3
303.19672	26.0
313.21835	22.7
352.23883	56.7
418.54861	29.6
457.15854	32.8
520.35486	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	600.416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80295	8.6
55.05505	20.9
57.03434	11.6
57.07056	23.9
61.97189	11.0
67.05498	77.1
69.03387	14.4
69.07053	29.4
78.20171	10.7
79.05478	52.3
81.07042	100.0
83.04967	18.3
83.08601	21.3
85.06514	17.9
89.06021	55.3
91.05463	63.1
93.07039	86.2
95.04967	26.0
95.08591	78.2
96.49251	11.6
97.44054	10.5
105.07015	92.1
107.08593	56.8
109.06493	28.0
109.10154	35.6
119.08559	59.8
121.06466	17.0
121.10156	68.0
123.08042	22.5
123.11704	10.9
129.06995	20.0
131.08553	38.9
133.08582	29.0
133.10121	42.7
135.08078	17.2
135.11705	27.4
137.09579	12.3
142.07738	20.7
143.08574	23.2
145.10104	40.8
147.11664	21.0
149.09613	15.8
151.07532	14.1
155.08577	19.5
156.09357	13.1
157.10118	47.6
159.11656	21.4
161.09613	27.0
165.09120	48.4
169.10136	19.6
171.11671	31.6
183.11595	17.7
185.13235	23.3
190.13373	11.8
193.10005	15.9
203.14377	20.7
221.15366	42.8
247.17055	17.0
253.15785	13.0
303.19345	21.1
321.16827	13.2
352.23969	61.3
446.69083	14.2
496.87952	13.2
502.33698	16.3
520.35168	25.7
600.41418	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	600.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	19.0
57.07067	8.5
66.57961	5.4
67.05492	87.1
67.57456	6.8
69.07037	18.2
79.05482	25.4
81.07048	94.2
82.10585	6.6
83.04964	13.7
83.08624	11.9
86.52810	6.9
89.06027	19.5
91.05489	38.1
91.71597	9.1
93.07034	57.3
95.04963	11.9
95.08601	100.0
97.10175	12.9
104.10471	6.8
105.07017	41.6
107.08585	45.9
109.06502	15.0
109.10138	41.9
117.07014	18.3
119.08591	47.3
121.06490	10.1
121.10111	40.1
123.08028	18.4
123.11693	21.6
127.54143	7.5
129.07034	10.7
131.08582	20.2
133.08612	23.6
133.10149	21.8
135.08014	11.7
135.11690	23.8
137.09642	10.5
142.07794	13.9
143.08577	18.5
144.50986	7.5
145.10136	32.6
147.08055	11.1
147.11679	18.4
149.09521	13.8
151.07629	13.8
151.11215	9.1
157.10110	29.3
159.11694	14.0
161.09654	10.3
165.09134	17.1
169.10135	15.6
171.11702	15.1
172.54614	7.8
175.11186	11.2
181.10121	8.6
183.11658	12.4
195.11685	13.1
203.14323	9.4
217.52696	7.6
221.15414	29.6
233.15437	12.5
233.19072	14.3
237.14792	12.2
251.20044	51.2
255.17624	9.8
303.19830	9.7
313.21295	9.0
325.21597	8.8
352.23895	25.1
354.52652	10.0
385.55255	9.0
415.63882	7.8
473.87497	8.1
520.35638	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	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13648	6.9
52.80527	7.8
52.99019	7.5
55.95458	7.2
56.83941	8.0
57.07062	18.4
62.63335	8.0
67.05490	24.4
69.03420	12.1
69.65794	8.5
79.05470	15.0
81.07053	50.5
89.06035	28.2
91.05474	37.0
91.71655	24.7
92.31466	8.3
92.44006	8.6
93.07030	48.7
93.89632	8.2
95.04944	13.3
95.08595	31.4
96.69830	9.9
105.07034	57.5
107.08590	41.0
109.06468	13.9
117.07007	12.4
119.08556	63.7
121.06499	17.5
121.10142	24.2
122.37661	9.5
123.08112	14.5
125.05991	26.2
129.06979	11.0
130.08588	9.5
131.08574	25.4
133.08607	26.7
133.10147	16.0
135.08044	24.5
143.08540	33.6
145.10144	50.4
147.08043	36.9
151.07541	23.4
155.08580	11.4
157.10136	33.1
159.11754	20.4
163.11168	23.9
165.06953	12.2
165.09093	48.6
169.10129	13.7
171.11656	22.7
175.11218	25.2
181.12228	26.6
183.11656	19.8
185.13307	11.9
190.13507	13.3
193.12181	15.6
203.14326	20.2
209.13281	12.8
216.15372	12.7
221.15352	100.0
234.16182	18.6
247.17003	27.0
287.20001	12.0
299.20117	17.2
325.21564	12.2
339.23123	10.8
340.24106	18.1
352.24127	34.4
427.28641	12.8
440.29144	45.7
520.35632	34.8
600.41223	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	25.0
67.05486	23.5
72.35322	14.9
76.98801	16.0
81.07041	40.9
83.04971	14.8
88.10634	15.5
89.06017	89.9
91.05470	40.2
93.07041	40.9
95.08588	30.8
95.76567	15.4
105.00967	15.9
105.07030	68.7
107.08616	49.0
109.06490	23.5
109.41345	15.9
114.85973	18.2
117.07034	18.3
119.08584	80.2
121.10169	22.3
123.08040	28.2
125.06058	23.3
130.08678	27.6
131.08575	27.8
133.08618	63.9
133.10126	41.3
143.08574	41.2
145.10104	36.8
147.08038	37.3
147.11635	17.9
149.09634	28.0
157.10118	39.4
159.11621	25.3
161.09645	23.6
163.11159	31.8
165.09117	67.4
177.11288	34.9
181.12196	28.6
193.12123	20.2
203.14334	20.1
221.15373	100.0
222.15723	33.5
274.19330	24.6
325.21506	27.3
342.97684	21.2
440.29166	37.9
520.35083	47.3
600.41028	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	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35395	3.7
55.05510	6.6
55.26225	4.8
57.07078	20.9
59.04992	4.7
67.05510	14.4
69.03430	14.3
69.07089	5.4
69.34354	5.0
79.05508	12.1
81.07043	27.7
82.84713	4.9
83.04995	8.2
85.06557	9.5
89.06002	29.4
89.30205	4.5
91.05472	31.5
92.06297	8.4
93.07039	42.5
95.04990	15.6
95.08604	24.4
97.06549	6.7
105.07029	58.5
105.07591	5.7
107.08650	21.2
109.06529	13.5
109.10267	7.1
117.07070	10.0
119.08584	78.3
120.09362	5.6
121.06490	5.8
121.10188	22.4
123.08099	20.8
125.06040	17.2
128.06267	7.2
129.06998	13.1
131.08559	25.6
133.08650	19.7
133.10138	29.0
135.08115	21.8
135.11734	9.0
137.09657	12.4
140.67592	6.0
141.07034	5.6
142.07826	13.1
143.08617	26.2
144.09428	8.0
145.10120	38.2
147.08034	36.9
147.11670	10.7
151.07625	13.5
156.09354	7.9
157.10106	37.9
158.10887	7.2
159.08160	8.7
159.11670	24.1
161.09705	8.4
163.11237	21.4
165.09105	46.9
169.10101	11.9
171.11707	15.3
173.13310	11.4
175.11298	19.6
177.11285	11.0
181.12303	16.9
183.11839	19.1
185.13435	7.1
187.11148	5.8
189.12830	6.9
190.13564	9.0
193.12317	11.1
195.11731	8.8
197.13353	11.3
199.11201	5.6
201.12842	14.0
203.14418	19.9
208.14632	9.6
209.13399	6.6
211.11266	8.3
211.14886	8.2
213.12881	8.5
221.15364	100.0
222.15755	8.4
225.12709	6.6
227.14349	6.8
234.16278	22.5
247.17043	23.0
273.18509	6.8
274.19388	11.2
287.20178	8.5
288.79089	5.7
299.20148	12.5
312.20810	8.5
313.21500	8.4
325.21860	16.2
339.22968	6.9
340.24088	16.2
352.23993	19.2
427.28604	6.7
440.29327	57.1
520.35468	23.0
600.41364	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	16.0
57.07079	22.6
59.44711	19.5
60.29025	18.5
62.77514	19.7
67.05502	41.7
68.42064	19.5
69.07053	28.1
75.75468	21.1
79.05477	32.6
81.07020	65.7
82.51535	23.7
84.41973	22.5
85.23808	22.7
87.04477	26.8
89.06017	100.0
91.05465	43.0
92.21780	26.0
93.07039	42.8
105.07035	79.7
107.08586	36.5
109.10116	30.3
117.07016	39.5
119.08576	68.4
121.10065	30.7
131.08572	35.0
133.08615	82.3
145.10092	60.7
152.53000	26.0
157.00290	20.6
159.11777	23.9
165.09145	32.3
175.71542	23.3
221.15414	98.9
304.45499	32.4
340.23898	54.2
352.24176	26.5
440.28915	45.9
520.35291	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06834	5.0
57.07067	55.3
61.74031	4.1
66.03256	5.0
69.07043	9.7
71.08623	45.5
71.71650	5.2
77.42291	4.9
80.97785	5.0
83.97274	4.4
85.10166	26.4
87.04449	7.3
89.06017	100.0
90.82623	4.6
92.84780	4.9
93.32501	5.0
99.11691	6.6
115.84472	5.3
117.09130	7.7
130.08627	22.5
133.08582	68.7
133.94881	5.5
146.74539	6.0
177.11205	32.6
415.25241	15.3
567.73242	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	600.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69631	5.4
55.05499	21.6
67.05496	79.3
69.07050	16.8
75.57537	5.6
79.05471	18.3
81.07051	100.0
83.08604	12.7
89.06023	17.8
91.05480	18.2
91.70948	12.0
93.07045	40.4
95.08609	80.5
97.10167	16.3
105.07005	7.2
107.08600	27.0
107.29482	6.4
109.10133	41.9
119.08616	10.9
119.52527	6.4
121.10161	32.1
123.11690	19.8
127.64477	7.1
130.08647	11.7
133.08611	18.7
133.10159	25.2
135.11696	21.3
147.11732	10.7
149.13293	11.5
151.11162	15.2
154.65170	7.2
166.43501	8.4
215.17937	11.5
215.72235	6.7
233.19025	13.2
237.22040	10.6
251.20068	32.1
469.40350	19.9
490.40717	8.9
590.72479	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	600.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.6
57.07065	6.6
59.54111	3.5
61.82239	3.5
66.74849	4.2
67.05494	80.3
67.05826	6.7
69.03423	4.2
69.07069	20.7
75.82607	3.4
78.01438	3.9
79.05495	14.5
81.07047	100.0
83.04997	4.4
83.08631	15.4
83.63728	3.9
89.06039	8.8
91.05463	32.2
93.07030	40.4
93.37198	3.7
95.04951	10.8
95.08593	88.7
95.09142	6.7
97.06525	8.5
97.10144	8.5
105.07037	29.8
107.08580	21.7
109.10149	37.8
109.34743	4.6
111.08140	4.2
117.07036	6.2
119.08608	19.6
121.10127	42.5
123.08086	10.7
123.11694	23.5
129.07037	4.6
131.08577	10.8
133.08589	5.0
133.10109	25.6
135.08116	10.1
135.11671	25.6
137.09604	6.5
137.13278	9.4
143.08586	9.8
145.10150	15.8
147.11707	6.2
149.13295	5.1
151.11256	7.0
154.95509	4.5
156.00493	4.5
157.10152	8.0
159.11691	7.7
165.09157	7.7
171.11772	9.2
173.13289	5.0
175.11270	6.7
185.48111	4.4
215.17923	12.3
221.13339	6.5
221.15466	20.3
233.19044	15.6
235.20715	6.0
237.14726	7.0
251.20050	57.1
255.17561	6.1
269.21198	5.8
303.19485	9.5
325.21649	5.7
352.24133	7.8
393.14832	4.8
496.46365	5.1
600.42621	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	600.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69631	5.4
55.05499	21.6
67.05496	79.3
69.07050	16.8
75.57537	5.6
79.05471	18.3
81.07051	100.0
83.08604	12.7
89.06023	17.8
91.05480	18.2
91.70948	12.0
93.07045	40.4
95.08609	80.5
97.10167	16.3
105.07005	7.2
107.08600	27.0
107.29482	6.4
109.10133	41.9
119.08616	10.9
119.52527	6.4
121.10161	32.1
123.11690	19.8
127.64477	7.1
130.08647	11.7
133.08611	18.7
133.10159	25.2
135.11696	21.3
147.11732	10.7
149.13293	11.5
151.11162	15.2
154.65170	7.2
166.43501	8.4
215.17937	11.5
215.72235	6.7
233.19025	13.2
237.22040	10.6
251.20068	32.1
469.40350	19.9
490.40717	8.9
590.72479	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	600.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	18.4
57.07067	14.7
67.05495	89.2
67.05822	6.8
69.07076	20.3
71.08626	6.7
79.05508	27.7
79.14217	6.3
81.07055	100.0
83.08627	21.6
87.11829	6.2
89.06042	33.1
91.05493	32.6
93.07028	50.6
95.08601	77.7
97.10175	14.6
97.50619	7.0
105.07030	16.3
107.08619	24.1
109.10182	34.0
119.08563	9.2
121.10132	42.3
122.76415	7.5
123.11717	7.7
125.09587	7.7
130.08586	10.9
131.08603	18.2
132.95746	7.4
133.08624	23.0
133.10162	22.2
135.11708	23.6
135.57315	8.0
137.13356	8.0
145.10185	14.2
147.11636	10.9
149.44211	7.5
161.63144	7.1
177.11313	13.3
185.23997	7.8
196.38879	9.6
215.17918	19.5
219.21118	11.8
233.19063	21.4
237.13051	7.3
246.53700	8.4
250.47061	10.9
251.20021	12.5
465.54022	8.9
469.40353	15.0
487.41440	47.7
505.42661	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	601.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12591	3.1
65.03919	3.8
69.03429	4.0
71.01369	3.1
73.31861	3.8
79.05470	5.0
88.80630	3.3
91.05451	4.2
100.65763	3.2
107.04913	3.8
107.26473	3.4
115.05408	6.0
117.07070	3.7
123.04424	7.1
124.36858	4.1
125.02264	4.2
131.04935	8.5
137.05972	8.5
138.03136	4.4
140.00185	5.6
145.06458	6.4
146.03641	7.6
147.04388	16.8
153.05469	34.7
157.04994	4.5
159.04459	13.3
161.05981	8.9
163.03915	4.9
164.04607	4.3
165.05426	10.9
167.03362	70.0
175.07527	4.8
176.04730	7.6
177.05515	9.0
178.06233	10.7
179.06978	12.9
189.05380	8.6
192.04216	4.9
193.08568	4.0
203.07127	4.1
204.04173	8.9
205.04973	6.0
219.06487	100.0
219.08496	6.4
226.72223	4.6
230.28130	3.9
249.07513	16.3
260.37286	4.3
274.79776	3.9
309.07739	6.4
317.10275	4.4
329.10291	4.7
357.09573	9.5
369.09818	8.0
387.10696	5.6
395.11389	4.8
461.56598	4.4
583.18085	11.2
601.24487	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	601.192
Annotation	Unknow
Peak:m/z	Relative Intensity
66.73248	13.2
74.91080	15.1
82.30038	14.8
87.71281	17.5
91.05419	22.2
122.12159	17.7
137.05969	23.3
146.03717	19.2
147.04425	31.6
151.04022	19.5
153.05484	100.0
161.06012	24.4
165.05505	27.7
167.03366	33.9
177.05467	48.6
178.06229	36.7
179.07031	41.6
212.76016	19.1
219.06570	59.2
249.07573	21.7
311.05661	22.5
311.89154	17.9
325.06833	22.8
331.08179	26.7
357.09509	19.4
414.30276	21.8
548.39539	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	601.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73527	5.0
57.07059	14.1
57.14404	4.7
79.05481	11.6
81.07043	16.4
83.04974	24.4
85.06559	9.3
91.05463	20.7
92.99211	6.9
93.07018	8.8
95.04979	9.3
102.56108	6.6
103.05463	25.9
105.07027	18.2
106.04140	11.8
107.04959	11.4
109.06534	24.5
117.03356	7.5
117.07043	10.6
119.04941	7.1
119.08664	8.1
121.06483	16.2
128.06223	7.7
129.07042	10.7
131.04913	13.4
131.08598	16.3
132.02060	8.7
133.06473	13.5
135.08060	10.7
145.06487	16.3
147.04387	23.5
147.08066	25.9
148.08876	19.5
149.02374	7.2
149.05989	25.2
159.08096	8.5
159.11678	13.0
160.05048	7.8
161.06010	17.3
177.05470	100.0
177.06870	12.3
178.06252	6.9
179.07123	9.7
187.11198	25.9
189.05458	8.9
210.72614	7.3
229.12267	19.8
230.13022	21.7
231.13844	16.5
241.12083	7.9
241.66328	8.1
263.07095	8.6
265.08472	9.3
279.06616	9.7
295.06009	21.1
310.08289	15.5
321.07559	12.1
424.18570	15.7
557.24176	8.2
571.22754	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	601.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98202	0.4
52.38945	0.4
52.87241	0.5
64.14687	0.5
67.05502	1.4
67.81753	0.4
80.05016	0.7
81.07047	0.9
86.92583	0.4
94.06589	2.7
95.89199	0.4
102.51460	0.5
104.80074	0.5
105.06996	0.7
106.06548	1.9
107.07330	12.3
107.26085	0.5
107.83459	0.4
110.81827	0.4
120.68875	0.5
122.06057	2.5
122.09666	100.0
124.07605	0.8
124.11214	0.5
129.49802	0.6
135.06804	1.2
136.07585	8.3
150.09149	14.8
168.50772	0.5
175.76860	0.5
190.08495	0.6
195.35808	0.5
211.12331	0.5
229.09753	0.7
244.06078	0.5
252.71671	0.6
257.09116	3.2
271.10767	0.7
303.13403	1.4
313.11859	2.4
317.11365	4.8
329.11331	2.3
330.12112	1.5
331.12900	1.1
356.16891	0.6
398.17447	0.7
418.34387	0.5
452.18079	12.9
457.88303	0.6
496.89505	0.7
504.55524	0.5
573.26648	2.0
588.40717	0.6
601.26300	2.9
606.21918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18653	0.8
58.26493	0.8
65.93871	0.9
67.05499	1.1
73.79773	0.9
87.21079	1.0
91.05441	1.5
91.71629	1.3
94.06560	1.1
107.08585	1.9
108.08112	1.6
120.08105	1.8
122.05954	1.2
122.09679	4.8
128.02225	1.0
128.65532	1.3
132.29486	1.1
134.09689	2.0
146.09654	1.2
148.11174	6.6
149.12018	2.1
150.09129	2.7
153.69160	1.1
158.09691	1.2
168.47580	1.3
176.10747	4.4
186.09209	1.5
191.43651	1.3
201.06592	2.2
202.07372	10.5
204.10168	18.0
217.09749	9.0
233.09274	3.9
257.09192	1.3
261.08679	100.0
262.08954	1.5
271.10809	1.6
287.10382	5.1
299.10294	1.5
302.12653	2.3
313.08310	2.5
361.14160	3.0
390.18332	5.5
398.17038	13.3
418.17502	11.0
436.18747	4.0
438.20349	1.7
464.18063	17.6
601.25549	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	601.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99625	1.7
81.07028	2.8
89.06076	1.8
93.07051	2.6
101.04269	1.8
103.41531	1.7
121.10121	2.1
133.08658	2.5
140.89777	2.5
174.35556	1.9
198.76283	2.1
219.42850	2.5
274.56985	2.3
288.31836	2.6
291.65421	2.4
527.61224	2.7
534.15411	2.5
541.38727	16.1
555.32758	2.4
601.40692	100.0
602.41211	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	601.407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46334	10.9
55.05504	10.3
58.67136	11.1
67.05515	17.5
73.96539	10.9
81.07067	25.1
89.06057	17.6
91.71028	15.5
95.08618	11.6
96.39594	12.1
141.56050	13.3
183.50598	12.2
185.93066	12.1
356.20731	11.8
464.93320	13.8
536.35352	14.0
541.38702	20.8
601.40753	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05257	3.4
55.05502	47.5
57.03397	2.3
57.07065	16.3
58.83970	2.7
67.05167	4.6
67.05498	53.6
69.06680	4.8
69.07058	96.5
71.04999	6.1
71.08627	6.6
79.05483	15.7
81.07044	77.2
83.04971	4.0
83.08611	64.0
85.06525	5.3
85.10179	3.1
91.05495	16.1
91.71520	3.4
93.07028	28.9
95.08595	66.0
95.09157	5.4
97.06536	10.7
97.10161	63.6
99.08080	6.7
105.07057	18.0
107.08586	21.1
109.10155	34.5
111.07323	2.8
111.08031	5.8
111.11713	28.0
119.08574	21.1
121.10146	38.8
123.08048	4.0
123.11671	15.0
125.09655	4.9
125.13273	10.8
133.10120	27.9
135.11670	34.2
137.09671	6.4
137.13255	12.8
139.11162	12.1
141.09094	3.4
143.10690	3.1
147.11684	25.8
149.13271	5.3
151.11162	11.6
151.14807	9.1
153.12794	11.0
161.13252	14.5
165.12762	11.1
170.15028	3.0
175.14809	9.7
179.14290	7.0
193.15895	3.5
193.19525	5.1
197.15440	3.5
217.19498	44.0
235.20558	64.3
253.21573	100.0
271.22668	54.9
271.25403	5.3
331.24814	3.6
439.30566	3.6
472.81097	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	601.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30970	4.1
55.05509	40.3
57.07062	14.4
57.95163	4.8
67.05496	78.2
69.07063	69.9
75.20709	5.7
76.86877	5.0
79.05466	28.8
81.07047	100.0
83.04975	6.1
83.08601	42.1
89.06016	7.6
91.05474	21.7
91.70996	8.5
93.07030	47.8
95.08600	96.4
97.06505	11.3
97.10152	33.7
105.07014	20.3
107.08607	24.0
109.10159	42.7
111.08098	6.6
111.11720	9.0
119.08578	26.2
121.10149	50.9
123.11690	20.2
133.08633	8.6
133.10124	15.8
135.11690	51.6
137.09671	6.8
147.11743	18.6
149.13264	6.1
161.13232	17.3
175.14812	7.8
217.19525	27.1
235.20526	51.2
253.21669	30.5
289.24271	6.3
342.47940	6.3
348.60083	7.0
469.40381	11.0
487.41364	43.6
505.42426	31.9
597.02893	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	602.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35282	2.7
55.01857	4.2
65.03923	4.4
75.46429	2.9
78.04691	4.1
79.05488	13.1
81.03398	10.0
85.02907	4.0
87.99436	3.0
91.05468	20.0
95.04969	17.4
97.06512	3.7
103.05468	15.8
105.03411	6.7
105.07024	6.8
106.04150	27.3
107.04977	17.3
109.02811	3.5
109.06521	4.8
111.04468	3.0
115.05445	7.4
117.03396	6.1
118.04140	7.6
119.04939	8.4
121.06463	18.9
123.04437	3.2
125.06001	5.9
131.04942	16.0
132.05725	5.2
133.02803	6.4
133.06485	12.6
135.04393	24.6
137.05984	9.0
139.07544	12.2
146.03616	24.6
146.04626	3.6
147.04402	24.0
149.02260	6.5
149.05956	44.4
151.03932	6.8
153.05455	52.9
161.05989	19.8
162.06747	5.1
163.03926	16.8
163.07484	3.9
165.05507	9.8
166.06253	4.5
167.03386	3.3
167.07025	14.2
168.07796	7.5
168.22899	3.6
173.05960	6.9
176.04697	5.6
177.05460	100.0
178.06253	40.1
179.03436	5.2
179.06985	22.6
181.04912	8.6
187.07571	3.3
189.05421	18.8
191.06967	21.3
193.04991	8.3
195.06523	11.7
203.07054	9.7
207.06499	6.4
209.04526	11.8
211.05983	7.6
215.07048	7.6
219.06433	16.4
221.08122	11.8
233.08163	9.4
237.07413	3.6
251.09254	4.6
281.08112	8.0
311.09158	4.4
341.09912	7.4
353.10187	10.7
355.11664	7.7
371.11221	10.6
372.11969	15.7
373.12805	4.6
443.19736	4.1
602.31757	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	602.296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62517	4.7
57.07058	10.4
59.43136	4.8
64.27098	4.8
70.06589	41.1
88.07632	42.0
102.09184	26.9
105.37008	5.6
116.51880	6.8
129.13945	6.3
130.92326	7.2
132.80560	6.9
149.02345	59.0
151.73566	7.5
152.86377	6.3
152.90579	7.2
153.41135	7.8
193.04944	82.4
200.20073	80.7
237.07643	22.6
324.25830	7.9
341.06598	15.3
359.08081	7.4
362.62378	7.2
385.09171	19.5
389.13660	8.1
429.11960	34.7
485.02631	7.9
602.29596	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
64.45627	6.8
67.05495	11.1
74.00664	9.3
81.07044	27.1
93.07065	7.8
95.08585	23.3
99.45493	7.4
99.90298	8.1
103.36656	7.6
117.84866	9.0
123.66674	10.4
165.12758	9.3
170.09996	88.4
173.13258	9.2
173.35957	9.2
176.14291	9.2
195.42250	9.0
201.76855	9.5
272.12051	16.3
277.21579	8.6
455.25845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.5
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68473	5.4
51.74226	4.2
52.70755	5.7
54.01397	5.1
55.05496	22.5
55.92199	4.7
57.07069	6.3
57.81490	4.3
62.13979	4.6
63.06873	4.5
67.05491	89.4
69.07066	33.5
79.05498	13.8
79.39780	5.6
81.07040	98.2
83.08605	24.9
91.05479	18.1
93.07021	26.8
95.08593	100.0
97.06496	7.2
97.10180	20.7
103.24464	6.2
105.07024	20.6
107.08575	20.5
109.06471	6.3
109.10139	43.3
111.04561	6.4
119.08598	19.2
121.10148	22.8
123.11703	19.6
133.10146	20.3
135.11681	19.0
137.13327	9.0
149.13292	8.9
151.14790	9.8
161.09683	6.7
215.17889	10.7
233.19189	9.5
251.20078	58.6
257.24747	7.4
258.90430	6.7
269.21069	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	602.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47790	1.9
55.05506	15.6
56.68533	2.5
57.07054	5.6
65.03928	4.4
67.05132	3.8
67.05493	70.3
69.07065	26.4
79.05484	15.0
81.07047	100.0
83.08609	28.1
85.06514	4.1
91.05479	16.6
93.07031	24.2
95.04980	3.0
95.08598	81.1
95.88405	2.3
97.04877	2.6
97.06531	4.9
97.10165	19.0
105.07018	9.1
107.08610	22.3
109.10146	38.8
111.08060	4.7
111.11726	3.0
111.88832	2.2
119.08563	8.1
121.10148	34.4
123.11728	21.5
125.13232	4.7
131.08522	6.2
133.10110	20.7
135.11685	21.2
137.09605	4.0
137.13237	10.3
145.10147	3.2
147.11736	6.7
149.03304	3.0
149.13284	7.6
151.11169	6.9
157.18649	2.9
159.11699	3.0
168.78459	2.6
173.13255	3.9
174.13959	2.4
187.14859	3.0
198.19624	2.6
215.17966	11.5
217.19495	3.3
223.20436	2.8
233.19008	12.4
235.20653	6.1
237.22090	3.0
251.19989	25.8
280.20840	2.7
325.47766	3.5
471.41840	14.9
489.42932	10.7
545.61853	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	602.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	19.9
57.07043	6.4
67.05494	84.0
68.40887	4.6
69.07062	28.5
79.05486	19.0
81.07043	100.0
83.08612	30.4
85.06530	6.0
91.05465	23.1
93.07024	37.2
95.08045	7.7
95.08599	80.6
97.10152	17.7
99.71765	5.5
105.07010	9.0
107.08585	17.5
109.10133	42.9
111.08007	8.3
114.74995	5.6
119.08529	13.8
121.10116	30.8
123.11727	22.1
131.26080	5.3
133.10139	15.4
135.11705	15.6
137.13176	8.4
140.40991	5.4
151.11154	7.3
159.45296	5.8
159.81107	5.5
215.17905	14.9
251.20045	25.3
471.41833	19.3
489.42996	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	603.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15979	27.4
50.47249	27.6
52.74908	31.0
53.79945	30.3
57.07061	59.2
65.91783	36.1
89.50979	35.0
91.05466	87.3
93.07037	50.5
103.73753	38.4
105.07042	47.8
115.94231	45.7
116.20754	45.2
138.65918	47.9
145.06442	63.8
145.89009	39.3
146.50055	43.1
147.04356	68.3
175.40175	45.5
177.05423	98.5
237.42915	46.7
245.12743	42.8
259.39871	42.4
285.70798	45.7
362.58545	49.4
410.20706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	2.6
57.07058	8.8
59.37413	2.1
67.05468	2.1
71.01315	2.9
71.32224	2.0
71.38622	2.2
79.05480	5.1
80.36322	2.9
81.07038	7.6
83.04961	3.1
85.06535	5.3
89.03877	3.2
91.05477	16.8
93.07044	9.0
95.04989	4.9
103.05455	29.5
103.33643	2.4
105.07021	11.6
106.04153	6.9
107.04946	4.6
109.06522	6.1
117.03412	3.5
117.06984	3.7
118.04099	2.9
119.04941	2.6
119.08588	3.9
121.06477	6.1
126.12762	2.8
129.07057	3.1
131.04953	14.6
131.08582	8.0
133.06525	5.4
135.04399	6.4
135.08073	6.0
137.05968	6.7
147.04414	11.0
147.08049	5.4
149.05980	21.0
159.04440	3.4
161.05931	4.4
167.07097	3.0
175.07533	7.2
177.05453	100.0
179.07042	5.8
189.05458	6.6
189.12845	3.0
231.13857	10.7
249.95264	3.9
281.08066	3.5
568.30634	3.7
585.24390	4.9
603.26288	3.6
606.07843	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	603.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90155	2.4
51.42197	2.4
52.48449	2.0
54.36043	2.3
57.07058	6.8
63.01934	2.4
70.05074	2.8
76.21099	2.6
79.05434	3.3
80.28830	2.4
81.07072	5.0
84.68453	2.7
88.18719	2.8
89.21901	2.7
91.05464	7.8
93.07061	3.2
103.05463	26.4
105.07020	8.8
106.04159	12.5
107.04933	4.4
109.06489	5.6
117.03364	5.2
118.26643	3.1
119.04984	3.4
121.06487	6.7
124.69765	3.0
131.04962	14.7
133.06416	4.1
135.04372	3.8
135.08081	10.7
137.05977	4.1
145.02818	2.7
147.04385	8.8
147.07968	6.0
149.05966	19.4
161.05971	4.7
169.99518	2.8
177.05455	100.0
179.06932	6.1
189.05420	4.7
219.06476	6.3
223.89171	3.2
231.13866	6.9
236.06656	3.2
396.65570	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	603.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64169	3.2
55.51294	3.0
61.49641	3.5
67.05498	6.7
79.66474	3.4
94.56866	3.6
96.59422	3.9
117.33008	4.3
136.07776	4.1
138.05502	6.8
156.78145	4.4
162.09105	5.1
180.10196	8.2
267.11401	5.4
271.29776	4.1
281.12772	4.6
317.14917	5.3
318.15039	4.1
323.40002	5.0
332.89453	4.8
337.23914	4.7
345.10559	3.6
345.14377	100.0
346.14703	14.0
355.24661	4.3
512.37598	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	603.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
68.50838	2.5
73.97211	3.0
91.14203	2.7
91.50214	2.9
100.91682	2.7
142.63937	2.6
144.93372	3.4
272.97498	3.1
331.61099	3.6
380.38620	3.0
603.44452	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
80.79583	1.5
83.05563	1.4
88.87132	1.6
100.17459	1.8
156.34055	1.6
169.06271	1.7
185.57254	1.7
224.68443	1.6
279.47101	1.9
387.92767	2.0
603.44427	100.0
604.44476	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76453	7.6
53.03932	12.3
55.05495	26.5
57.03425	8.5
59.17443	5.7
67.05178	7.3
67.05498	93.6
69.03414	48.2
69.07041	21.9
74.20844	6.4
79.05482	59.0
79.51567	8.1
80.81807	6.7
81.03403	53.6
81.07046	93.7
83.04967	24.9
83.08595	21.7
85.02924	19.8
85.06576	7.0
90.53204	7.1
91.05468	70.2
91.71000	15.3
93.07027	85.9
95.04961	31.7
95.08597	77.1
97.02879	35.9
99.04460	15.8
105.07024	51.5
107.08616	39.3
109.02869	13.1
109.10146	23.1
111.04431	7.2
117.07011	24.3
119.04923	28.5
119.08598	30.4
121.10153	30.2
123.11734	11.0
127.60308	9.6
129.06987	17.4
131.08571	31.9
133.10175	28.5
135.11705	25.4
143.08530	14.7
145.10127	23.0
147.04390	100.0
147.11690	20.0
149.13318	12.4
153.59538	8.2
157.10147	12.2
159.11714	16.2
169.10115	8.7
171.11670	17.3
173.13297	16.0
175.11110	8.5
183.11642	10.6
197.13402	8.9
210.78720	9.0
277.21652	10.4
292.65549	10.1
340.34619	11.7
369.24066	27.4
381.37772	11.3
387.25586	14.7
405.26624	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	605.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	16.6
62.23761	4.9
75.79900	5.5
91.05500	9.5
91.71700	10.9
93.07127	6.1
95.25003	5.1
103.36350	5.4
104.05454	5.9
107.04925	6.6
119.04922	6.0
129.07059	8.6
137.05974	12.2
147.08115	8.0
149.05949	6.6
156.08842	6.1
159.04144	7.7
161.13919	6.8
165.06787	5.7
167.44571	6.5
173.54454	7.5
183.83475	5.7
187.07594	6.2
207.09126	5.8
231.13853	7.2
231.20935	6.3
277.14240	42.6
314.64166	6.2
605.23389	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	605.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49995	5.2
50.75024	3.9
62.43913	4.6
67.05514	5.1
79.39536	5.3
98.97572	7.4
119.45709	4.7
130.57144	4.3
136.07524	6.2
137.28889	5.0
156.98055	5.1
164.10741	8.5
198.01535	5.2
200.09583	6.3
202.07460	15.0
213.10281	6.8
214.10939	7.5
217.09857	16.0
229.09900	6.5
233.09175	6.8
257.09177	30.9
257.12915	6.5
261.08707	100.0
263.10452	8.5
273.12509	7.9
285.08658	31.5
287.10306	48.2
301.11761	93.9
313.08133	27.7
331.09189	25.3
380.19998	9.0
398.16910	32.6
406.17603	29.5
417.32553	5.9
424.18768	20.3
438.20184	9.5
461.17093	22.5
468.17694	21.7
543.25903	32.3
545.29492	7.1
561.27136	18.2
570.08820	5.8
605.13464	5.7
605.32196	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	605.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28365	9.5
52.52633	8.5
57.07067	28.4
58.64791	10.0
62.15080	10.3
62.97472	9.4
74.60790	10.0
81.03357	12.2
81.07036	22.9
90.74041	12.9
91.05469	20.1
91.71711	17.2
92.69885	11.1
93.07022	15.2
95.08566	15.5
103.92010	11.9
105.07047	25.4
109.06498	15.9
117.06994	14.7
118.78720	11.6
119.08597	20.2
135.04451	20.3
135.08069	48.7
137.05960	100.0
147.08023	21.9
156.99530	11.2
157.06563	14.4
161.05983	21.6
173.06081	16.3
189.12628	16.2
231.13805	16.6
252.10493	13.2
291.89459	13.6
363.57510	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	605.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53674	2.4
56.76989	3.2
57.07064	13.4
57.46386	2.7
66.35715	3.7
67.05511	4.3
69.63545	3.2
77.77582	3.0
79.05488	7.1
81.07049	5.0
85.06545	7.6
89.03893	4.5
91.05466	24.1
93.07041	17.6
95.04963	7.6
95.08527	3.6
103.05476	20.8
105.07037	9.5
106.04170	9.8
107.04964	6.6
107.08537	3.1
109.02878	3.4
115.05441	5.5
117.03384	4.0
117.07025	5.6
119.04973	6.7
119.08566	8.4
121.06497	6.4
123.04411	3.9
129.07031	5.5
130.79240	3.2
131.04871	19.5
131.08571	11.5
133.02878	3.3
133.06494	9.4
135.04434	5.0
137.09692	5.8
147.04431	6.6
149.05943	25.0
161.05965	9.4
163.03944	5.1
163.07559	4.1
167.07016	4.7
173.09633	3.9
175.07640	5.9
177.05467	100.0
177.07007	5.3
189.05515	7.7
191.07040	4.1
191.54898	3.7
195.06493	4.6
215.06947	3.7
216.15350	5.0
217.15874	7.0
219.06512	14.1
231.13791	12.3
233.15256	3.8
400.34363	3.9
480.28027	4.3
605.32886	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	605.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36746	4.0
53.82057	3.4
55.77669	3.4
55.98078	3.2
57.07066	7.6
60.82084	3.4
68.04977	4.5
84.04506	21.4
85.02924	9.6
86.06072	6.4
93.07011	4.2
95.08695	3.6
96.04482	37.7
104.10715	4.8
106.06606	4.3
112.05472	3.9
130.05016	12.1
134.06020	18.9
156.53526	4.3
162.05496	19.1
176.36464	4.2
180.06561	24.2
182.04555	5.1
187.11160	11.5
188.07072	8.5
208.06044	51.2
217.69899	5.7
229.12257	16.3
246.14923	9.6
249.93658	4.6
263.35626	5.1
358.16556	8.4
375.19131	100.0
381.47800	5.8
562.72900	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	605.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	31.0
57.67467	10.1
67.05493	100.0
67.13555	15.7
69.03403	34.5
69.07075	13.9
79.05473	28.3
81.03408	27.2
81.07040	40.8
83.08596	14.6
83.77116	15.7
85.02846	13.4
91.05472	40.2
93.07024	41.2
95.04955	25.5
95.08588	18.6
95.18660	13.3
96.20894	14.1
97.02856	13.3
105.07015	25.4
109.10143	46.7
111.08118	13.5
119.08604	23.5
121.10117	19.4
133.10133	13.4
145.10072	15.2
202.12155	17.8
224.78923	14.1
255.17825	14.7
381.15585	14.7
455.20990	15.5
605.35876	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	605.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18130	4.8
54.23341	4.7
58.68010	5.0
59.72410	4.2
67.70572	5.2
70.03489	4.9
91.99960	6.6
102.22089	5.0
108.92408	6.2
119.00776	5.1
133.18402	5.8
191.47966	5.7
268.07095	5.9
605.40350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77529	5.8
64.46555	7.0
65.42477	7.2
69.16817	7.0
75.22043	6.5
83.08571	8.3
89.23646	7.3
127.07973	8.6
221.60410	7.9
225.12332	8.8
231.26041	9.3
233.43901	8.8
274.51141	10.4
305.81693	8.9
346.93774	12.0
605.40070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73730	5.2
55.05508	5.7
57.07072	6.9
67.05492	7.7
71.36581	5.6
75.62239	5.2
77.48641	6.0
81.07040	9.0
81.28640	7.1
90.88838	6.1
91.70914	13.0
93.07030	8.1
133.17094	6.8
133.40198	7.7
268.46689	7.3
299.28351	6.9
605.43726	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
62.51294	3.1
62.64317	2.9
67.05509	4.9
81.07040	5.6
119.80577	3.5
180.50874	3.4
291.19348	8.9
351.21405	16.2
507.40796	5.9
605.43823	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90240	2.7
55.05498	9.6
56.05024	8.5
60.04520	100.0
63.01239	2.7
66.72307	2.9
67.05489	27.7
67.63305	3.1
69.07048	10.6
70.06587	4.0
71.04980	5.6
71.28812	3.1
74.06068	13.2
79.05481	11.7
81.03423	3.5
81.07051	27.6
82.06563	5.2
83.08622	3.4
85.79157	3.2
91.05466	12.7
93.07035	9.2
94.06601	6.0
95.04957	7.6
95.08602	13.6
99.99908	3.4
108.08080	3.8
109.06496	6.9
119.04972	20.8
122.55540	3.7
124.07617	3.5
127.82842	3.6
136.07602	5.8
137.06001	10.3
147.04410	87.2
147.05531	7.2
149.47986	3.5
154.08588	3.9
158.24696	4.0
165.05455	9.9
172.09703	8.8
180.93442	3.7
190.10719	7.6
212.95102	4.1
214.73972	3.6
296.25809	37.6
307.10974	3.5
406.29364	6.7
442.31766	25.7
460.30954	10.0
602.51794	4.8
606.36334	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96808	3.3
55.05517	8.7
56.05035	9.6
58.47225	3.3
60.04518	100.0
60.08154	2.7
67.05497	26.5
69.07078	10.0
71.04999	3.5
74.06087	12.9
77.28812	2.7
79.05505	6.6
80.05038	4.8
81.07038	30.7
82.06583	5.8
91.05497	11.4
93.07062	7.5
94.06590	4.1
95.04982	8.5
95.08636	12.9
95.95186	3.4
97.06588	3.7
108.08152	4.7
109.06527	6.5
113.06079	4.4
119.04987	21.1
121.17475	3.2
122.92769	3.1
126.52686	3.6
136.07610	10.1
137.06027	9.7
142.08604	4.2
147.04396	90.4
154.08578	3.8
165.05562	7.2
172.09750	6.7
187.60028	3.5
190.10857	12.2
190.32324	4.4
195.14790	3.4
278.24942	4.6
296.25787	47.3
402.90933	3.9
424.30795	5.6
442.31714	33.4
460.30951	13.2
606.36316	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30368	2.2
54.34300	2.6
57.11949	2.1
59.65324	2.5
62.97810	2.6
65.33880	2.9
68.99770	6.4
80.13306	2.5
98.97586	7.7
109.02860	6.8
111.00811	7.3
112.76043	3.1
115.81978	2.7
116.98583	4.0
123.04424	12.8
124.94617	3.0
127.03910	100.0
128.68561	2.7
139.03899	21.6
140.00235	4.7
141.05440	32.8
147.04414	5.0
151.03888	29.6
153.05446	4.9
155.03391	5.0
163.82883	3.0
175.03900	12.4
179.03398	36.6
182.71573	3.6
193.05022	4.3
203.03375	14.3
213.05557	3.4
245.04503	4.0
248.70813	3.0
259.06012	6.5
263.05539	6.6
277.07028	10.9
287.05490	31.5
288.05597	6.9
305.06607	19.7
339.27478	3.2
445.10965	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	607.215
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23154	3.3
62.18230	3.8
64.35955	3.4
68.34991	3.8
74.28716	3.4
90.47106	4.3
115.97915	4.1
132.82455	4.7
137.06009	6.1
145.42345	4.1
293.70834	5.1
410.13428	11.6
451.16452	5.1
455.00983	5.7
607.21393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75531	5.1
56.27792	5.1
59.25070	6.3
90.77552	6.9
99.72165	6.4
116.01479	6.7
118.50799	7.8
129.12032	7.7
177.27242	6.3
187.90991	7.7
205.75551	8.4
223.19931	7.4
336.07037	8.7
410.13370	13.7
451.15302	8.0
505.44669	8.0
528.89307	8.4
534.87543	8.9
607.21356	100.0
632.77399	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	607.215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87010	2.8
53.68811	2.7
72.35739	3.5
80.02019	3.6
85.84952	3.9
92.46320	3.6
118.35835	4.8
127.65874	4.9
202.23923	5.5
279.66159	4.7
410.13501	9.7
607.21368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2548
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
55.66504	3.6
56.48132	4.5
95.01619	4.7
106.94263	4.6
145.46335	4.4
148.22601	4.6
163.96068	4.5
253.72729	4.7
431.18591	10.8
446.21069	7.2
447.21646	8.5
519.23828	13.6
527.23059	6.0
547.23413	8.3
607.25293	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2549
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
51.29531	1.7
53.80584	1.2
55.05505	2.5
65.79709	1.4
67.05489	5.0
69.07059	2.2
75.39391	1.6
79.02202	1.5
79.05489	2.7
81.07028	4.2
83.32841	1.5
88.69382	1.9
91.05472	3.9
95.08605	4.0
101.42075	1.6
104.47129	1.9
105.07014	6.7
108.87020	1.5
109.10130	2.1
109.10805	2.1
119.08610	3.4
133.10098	2.5
160.82385	1.8
190.29330	1.8
246.77003	2.0
256.40808	2.0
275.20181	2.4
280.94907	2.0
389.17664	4.7
391.19434	2.6
403.19199	8.3
404.19934	3.1
405.20908	2.9
417.16867	6.1
417.21594	3.3
419.22412	6.1
430.17566	3.3
431.18240	11.3
432.19229	3.8
433.20483	4.1
445.20410	8.4
446.21198	8.8
447.21628	11.4
461.19348	3.1
474.20407	10.6
475.21057	12.9
487.20911	3.1
490.23636	2.5
519.24335	13.3
547.23328	79.5
548.23865	3.3
579.26160	4.1
607.25452	100.0
607.44983	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	607.276
Annotation	Unknow
Peak:m/z	Relative Intensity
67.50320	3.8
81.77612	3.7
91.05491	7.1
93.07034	4.7
93.61823	4.3
108.08129	17.0
119.04963	11.7
122.06039	18.2
123.06724	5.4
134.16794	4.1
136.07556	27.1
138.09169	22.4
147.04416	17.6
164.07047	100.0
174.09152	9.2
177.06604	4.8
181.09669	9.7
191.08194	7.9
202.08675	10.1
203.08218	15.5
204.06566	9.0
217.09784	10.0
229.06007	10.0
245.09175	12.7
259.10922	4.6
261.08737	8.2
263.10214	22.8
275.14044	7.1
287.10269	11.9
301.11804	18.0
305.11249	41.0
307.12979	7.6
333.23746	4.6
378.17810	6.0
408.18860	5.9
409.17419	4.9
424.19281	5.2
425.92465	4.7
426.20251	21.1
444.21317	18.2
452.18057	19.3
470.19153	10.1
589.26447	28.8
607.27429	13.4
614.50806	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	607.276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09261	4.9
51.69146	4.4
67.05483	6.9
76.50638	4.7
79.10738	4.9
91.05460	8.6
94.06570	12.0
108.08100	12.9
116.03174	5.8
119.04919	7.1
122.06027	31.8
124.07581	9.4
136.07603	27.8
138.09128	51.7
164.07066	62.3
174.09190	10.5
177.06578	9.8
181.09700	16.3
185.51953	5.7
188.07169	8.4
191.08173	23.7
201.10349	6.5
202.08702	14.5
203.08131	36.8
204.06572	15.4
212.09570	6.9
213.10211	6.2
215.08136	9.3
217.09746	25.5
227.11876	6.8
228.09190	6.3
229.06149	20.0
230.08235	8.9
240.64090	6.7
243.07516	5.9
243.11270	7.4
245.09222	42.5
251.18048	6.2
257.09106	7.3
257.13080	8.2
259.10663	12.3
261.08649	51.0
263.10156	39.7
269.09320	6.2
271.07040	10.7
275.13821	8.1
285.08704	8.7
287.10272	29.1
300.11020	7.1
301.11813	85.1
305.11218	75.6
313.08209	13.7
339.57700	6.3
345.17700	8.0
364.16855	6.9
366.18082	12.2
373.44595	6.7
406.17657	12.6
426.20358	40.9
438.20236	8.5
444.21518	27.5
452.18100	100.0
470.19196	17.1
589.26532	72.2
607.27399	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	607.276
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05474	5.1
79.52495	3.3
87.75036	3.4
91.05501	8.0
91.70973	5.2
93.07053	6.9
108.08157	15.5
120.46897	4.5
122.06067	10.2
124.07613	5.6
136.07553	29.2
138.09132	24.9
164.07053	100.0
164.08322	7.3
164.10762	5.1
203.08214	7.1
204.06627	5.1
225.32332	4.4
235.10870	5.7
245.09422	6.9
261.08609	8.7
263.10312	8.8
275.13971	4.4
287.10373	8.0
301.11850	17.8
305.11505	12.7
314.15027	10.8
401.75272	5.1
409.17728	7.5
420.97296	4.9
426.20282	13.4
444.21487	15.0
452.18387	16.2
470.18967	5.1
483.39188	4.7
589.26105	19.3
607.27496	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	607.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55668	1.9
56.58995	2.1
61.57924	1.9
67.05495	3.1
91.05496	7.4
93.07082	6.8
94.06600	2.4
95.04979	2.4
108.08104	21.3
118.06568	3.2
119.04951	6.3
121.06504	2.6
122.06000	11.8
124.07645	6.9
136.07567	33.1
138.09128	24.6
146.06067	3.2
147.04420	4.2
164.07048	100.0
164.10764	9.7
174.09245	4.0
175.05087	3.3
177.06622	4.6
179.61157	2.6
181.09686	4.9
191.08231	2.7
192.10188	3.2
200.07173	3.6
202.08672	3.3
203.08145	2.9
204.06572	2.7
216.10358	3.3
218.08260	3.0
228.06528	5.0
230.08366	2.6
239.80891	2.2
244.09814	4.2
245.09192	4.6
258.11362	14.3
259.10968	2.6
261.08841	3.8
263.10388	5.9
269.13150	4.3
286.15576	4.1
287.10376	6.6
301.11758	16.9
305.11502	7.7
314.15027	10.4
324.60464	2.4
330.43427	2.6
353.18750	5.5
363.17108	7.3
381.17886	20.4
382.16638	2.8
391.16718	4.3
408.19394	5.4
409.17502	50.7
409.22552	3.6
410.17426	3.1
426.20352	12.1
444.21573	9.5
452.18051	21.7
484.71347	2.6
589.26532	23.3
607.27527	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	607.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63635	11.0
87.15826	11.4
96.59921	12.4
100.51495	11.7
108.08076	25.0
108.79041	11.9
122.06033	37.3
136.07594	36.9
138.09151	40.6
164.07053	100.0
177.06584	18.6
195.81053	13.6
202.08678	14.9
203.08170	46.5
204.06717	20.8
215.08199	15.8
217.09676	15.1
229.06123	22.8
232.75797	13.1
243.07632	15.0
245.09296	55.1
263.10312	45.4
271.06979	15.3
275.13962	19.7
287.10205	24.2
301.11697	72.9
305.11191	94.8
360.02023	14.3
366.18173	18.5
426.20114	61.7
444.21237	37.5
452.18173	57.2
542.27905	14.1
589.26569	57.2
607.27460	20.4
633.78662	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	607.276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74193	6.8
53.38229	6.3
59.37369	7.4
59.48187	6.3
59.85256	6.2
63.16245	6.8
70.89792	7.7
78.71914	7.4
91.05486	15.6
91.71595	11.1
93.07024	12.4
96.99976	8.1
108.08110	26.7
122.06011	20.4
124.07581	19.1
136.07562	26.1
138.09145	41.4
164.07053	77.2
171.26888	10.7
192.10281	14.4
213.40997	10.1
258.11084	43.8
287.10324	11.9
301.11819	28.2
314.15076	16.1
363.17383	13.0
381.18137	48.3
409.17584	100.0
452.18201	39.5
589.26294	23.4
607.27606	75.3
610.85248	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	607.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54594	9.0
54.13982	10.9
57.07076	15.6
62.33685	9.4
66.89556	10.3
70.57290	8.9
80.01940	10.9
81.07067	15.8
91.05495	27.6
91.71674	14.8
95.04999	16.0
97.02891	17.5
102.76516	10.0
116.01633	12.2
117.07101	10.8
129.07043	17.9
131.08574	26.4
135.08107	33.6
137.05959	100.0
189.09044	17.8
205.08636	19.6
219.10286	45.0
243.95476	11.8
357.13217	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	607.2908
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
59.06887	2.6
60.61256	2.7
79.09335	3.1
82.57870	3.6
110.15276	3.8
118.56759	3.9
137.97525	3.2
151.12476	3.3
174.27281	3.7
189.64577	4.7
197.02652	4.0
258.50967	4.0
417.20822	5.7
431.18610	5.8
433.23679	10.5
445.19696	8.1
459.21408	7.2
460.22501	14.2
461.23309	14.8
473.23212	4.3
478.46378	4.3
547.27032	49.5
607.29089	100.0
608.28986	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	607.2916
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
115.16219	2.2
116.74068	2.3
119.94559	2.1
237.35139	2.3
299.40201	2.4
403.19550	3.8
417.20850	3.5
431.18613	7.4
433.24048	6.3
445.20389	9.2
447.21640	3.4
459.21494	4.8
460.22739	7.4
461.23386	8.0
473.23450	3.2
505.22995	3.6
547.27014	28.5
607.29150	100.0
608.28937	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	607.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07057	22.0
61.56212	8.1
66.23981	8.4
70.02931	9.9
70.23184	7.4
80.26447	9.0
84.04485	24.9
85.02852	10.2
85.06514	9.8
96.04469	45.0
121.06501	9.3
130.04961	21.0
134.05974	26.3
162.05484	18.6
180.06573	26.3
182.04492	11.1
208.06004	53.3
229.12206	12.2
312.15924	9.9
314.90314	8.4
358.16486	14.4
375.19171	100.0
393.24307	16.3
530.51031	10.4
556.52466	10.9
606.70056	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06847	1.7
56.56382	1.7
61.91985	1.8
64.64265	1.7
64.87651	1.7
68.43832	1.7
233.19536	2.4
607.38049	100.0
608.38251	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
63.41937	1.9
67.05506	4.2
74.25983	2.3
82.34717	2.2
97.42521	2.2
108.01354	2.5
133.98982	2.3
139.61794	2.4
212.42786	3.2
222.80478	2.6
291.19409	6.9
307.39673	3.0
343.00098	3.1
351.21265	16.8
401.71609	2.9
526.43237	3.4
607.25073	3.7
607.45410	100.0
608.45618	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	607.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39432	2.0
67.05486	2.2
68.62450	1.6
70.32185	2.0
76.31237	2.0
81.07076	2.0
109.10128	1.9
144.37485	2.3
145.69142	2.0
334.36249	2.6
547.43530	7.6
607.25873	3.6
607.45361	100.0
608.46014	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	607.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21177	1.9
59.12480	1.8
65.28703	2.0
82.69642	2.3
89.81734	2.1
91.26052	2.1
91.71037	4.5
95.26604	2.2
111.80067	2.2
142.21651	3.0
255.12401	2.8
266.60764	2.5
310.50229	2.6
388.79193	2.6
521.96753	2.5
547.43079	6.3
607.45331	100.0
608.45947	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
69.03409	25.0
72.20635	3.5
81.03416	17.0
84.50755	4.0
85.02894	80.4
86.39860	3.6
97.02877	29.7
99.04451	39.2
103.03931	62.4
105.07020	87.3
107.99757	3.8
109.02877	17.2
109.55751	4.0
127.03906	100.0
130.99185	5.0
131.71507	4.1
145.04948	48.5
160.56694	3.8
162.67912	3.9
163.05969	67.8
168.06462	5.5
184.09604	4.6
271.08212	6.9
289.09161	9.7
291.91818	4.2
307.10361	23.7
422.54276	5.0
627.54944	5.4
632.01025	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	608.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06837	2.7
57.07071	31.8
57.23638	2.0
58.33352	2.6
74.60916	2.5
79.05468	2.5
81.07042	13.5
83.04972	2.8
85.06539	12.3
91.05471	14.3
93.17520	2.8
103.05464	4.5
105.07031	5.0
109.06522	9.7
118.02361	2.7
119.04928	10.1
131.04926	11.9
131.08554	3.3
131.36455	2.6
133.06487	2.7
137.05969	76.0
139.02495	2.9
147.08070	4.0
151.07585	10.2
154.02469	3.1
159.72699	2.7
161.05997	6.5
185.05392	3.2
189.09122	5.9
229.08582	3.4
297.14963	9.4
381.20572	100.0
592.00775	3.1
594.56622	3.4
610.58795	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	608.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82674	1.4
60.04527	1.5
63.21857	1.4
63.69489	1.5
71.04961	1.7
83.56171	1.7
84.49934	1.6
85.02899	3.8
86.09699	2.7
87.04451	14.0
89.06020	100.0
93.84286	1.6
107.07032	2.7
130.08617	20.3
131.06999	2.8
133.08597	67.8
133.44229	2.1
175.09601	2.8
177.11215	21.1
188.17699	1.8
217.35490	2.2
303.05154	4.0
317.06644	5.9
377.34454	2.2
591.36066	3.5
609.18109	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	609.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
65.66296	1.4
75.38757	1.3
77.66129	1.3
88.70388	1.3
91.80705	1.5
101.24570	1.5
111.00796	2.7
113.30120	1.6
123.04439	3.5
127.03934	8.3
139.03900	17.0
149.02345	3.7
151.03900	3.7
153.01852	11.3
163.03981	1.7
179.03429	5.5
200.06212	1.4
201.05585	1.9
212.82524	1.5
219.02765	1.8
229.04915	2.8
245.04451	2.6
257.04327	2.1
259.22937	2.0
275.05566	2.0
285.04156	2.5
287.05573	3.4
303.04965	100.0
315.04980	4.4
410.85110	1.7
441.07971	13.9
448.80667	1.8
465.08627	1.9
516.11542	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	609.2704
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
54.49355	2.5
66.15145	2.3
79.18371	2.5
99.20135	2.2
102.25957	3.0
102.67800	2.4
105.51553	2.9
143.10440	2.7
258.03290	3.5
432.19238	3.4
445.20593	6.9
446.21033	6.3
447.22263	6.7
476.21561	4.2
477.22952	6.1
519.23999	9.5
529.48352	3.3
549.24963	21.1
579.25964	5.4
603.06952	3.7
608.49731	3.8
609.26984	100.0
610.28137	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2707
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
50.75177	3.8
56.95307	3.7
61.00437	5.4
67.05499	6.2
80.70567	4.0
81.07047	5.9
81.11147	4.3
90.96674	4.8
93.07042	5.7
127.35337	4.7
129.54462	4.9
135.63510	4.4
161.24417	4.8
190.70552	5.5
405.16769	5.9
406.10541	5.3
433.20499	9.9
435.21750	9.7
462.20831	6.4
463.21185	7.0
521.25610	7.4
549.25018	30.7
555.31451	6.0
609.27118	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2704
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
63.38620	12.3
67.05486	26.9
67.10494	11.1
79.05453	22.2
81.07044	42.3
91.05509	30.8
91.71706	13.8
93.07058	31.5
95.08569	30.0
105.07021	43.0
119.08537	18.4
131.08655	12.8
133.10141	27.9
137.17921	12.2
145.10181	15.9
214.50146	12.8
225.41061	15.7
275.20151	39.5
323.68433	14.7
396.17410	14.9
521.23108	18.4
549.24658	16.9
577.24402	51.3
603.08264	18.5
609.26770	100.0
609.45062	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28563	1.1
56.05039	1.4
57.07072	8.4
57.07326	1.1
57.52003	1.2
57.66924	1.2
62.46395	1.3
67.05514	1.9
68.05032	3.3
69.03402	1.1
69.07061	1.4
70.02956	2.2
74.83250	1.6
79.01067	1.3
79.05490	2.7
80.05010	2.1
80.19833	1.4
81.07072	1.9
84.04494	26.3
85.02889	9.9
85.06557	4.1
86.06092	6.2
89.79947	1.4
91.05496	3.3
91.71537	1.4
93.07053	1.8
95.04981	3.5
96.04478	36.0
101.07123	1.7
102.05582	2.2
105.07046	3.3
106.06590	3.4
109.10134	1.6
115.05507	1.7
117.07078	2.2
122.06050	6.1
130.04993	18.9
131.08574	1.8
131.64093	1.4
134.06000	16.4
134.50604	1.5
136.04001	5.4
137.09669	5.0
143.08533	2.3
145.06506	5.4
152.07141	4.1
153.06699	1.6
154.05055	4.3
160.07542	2.0
162.05499	18.4
164.07117	2.5
169.10266	1.8
171.07738	3.2
177.68405	1.6
179.88167	1.8
180.06529	17.5
180.07843	1.5
182.04469	7.7
187.11169	10.2
188.07149	5.2
189.12820	1.9
199.07213	7.4
203.10756	3.4
208.06032	47.9
228.06670	1.5
229.12212	17.9
246.14819	7.4
247.13297	1.8
262.02219	1.6
284.16708	2.1
312.16058	3.7
329.18381	1.8
358.16415	8.0
375.19104	100.0
376.19516	3.2
377.24850	2.5
395.25854	14.1
445.27899	2.0
626.93988	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	609.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28443	2.2
53.45470	2.5
57.07068	8.5
68.05033	4.0
79.05467	3.9
82.35430	2.8
84.04510	22.5
84.63269	2.7
85.02892	4.8
85.06541	3.4
86.06053	7.1
91.05460	3.6
91.71649	5.9
95.04957	3.5
96.04480	42.2
101.07184	2.8
106.06519	3.4
108.04469	5.0
113.02362	4.8
115.24564	2.8
117.06992	3.0
121.74825	2.7
122.06023	6.5
130.04991	14.7
134.06006	20.2
137.09628	5.2
145.06514	4.5
152.07080	3.7
160.07671	3.6
162.05482	22.4
180.06551	25.0
187.11163	11.3
188.07083	6.5
208.06030	52.1
229.12189	16.0
246.14862	13.8
309.07632	4.4
340.48068	3.4
358.16516	7.7
375.19098	100.0
395.25851	4.8
424.38605	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75107	1.6
52.48161	1.7
53.00286	2.1
53.03921	2.4
55.01874	3.4
55.05506	20.2
57.03426	8.1
57.07072	3.1
65.68437	2.0
67.05492	43.5
69.07057	24.4
71.04982	3.9
73.18691	1.8
79.05485	22.2
80.13222	2.2
81.06602	3.6
81.07045	52.8
83.04952	3.2
83.08607	12.9
85.06511	3.0
91.05463	28.2
93.07026	39.2
95.04929	4.3
95.08601	40.5
97.06525	4.8
97.10151	7.5
101.35392	2.3
103.05429	3.4
105.07023	24.0
105.84368	2.4
106.44733	2.1
107.08588	24.3
109.06538	3.5
109.10143	18.7
111.08070	4.1
115.05429	2.6
117.07013	17.5
119.08578	24.4
121.10155	14.1
123.08076	3.2
123.11703	3.5
128.06183	6.5
129.07014	19.4
131.08548	27.7
133.10092	20.2
135.11711	5.4
141.07004	10.0
142.07761	4.0
143.08540	23.7
145.10110	26.5
147.11670	10.5
149.13309	5.4
155.08542	19.9
156.09335	5.0
157.10110	25.1
159.11662	18.9
161.13264	6.8
167.08566	6.9
169.10114	29.1
171.11647	19.2
173.13260	11.0
179.08519	4.8
181.10127	15.3
182.10847	3.0
183.11636	21.2
185.13170	15.4
187.14874	6.0
193.10104	5.4
195.11676	15.6
196.12379	2.6
197.13242	18.4
199.14827	11.5
201.16402	2.5
207.11748	7.9
209.13251	14.4
211.14847	10.8
213.16432	7.1
221.13263	3.5
223.14807	11.4
225.16412	10.3
227.18066	5.3
235.14822	3.7
237.16484	7.8
239.18045	7.4
245.38899	2.4
249.16498	3.7
251.17906	4.6
263.17950	2.8
321.21829	3.2
365.28116	2.8
447.32468	3.2
461.32629	3.3
517.40515	17.2
535.41357	7.3
573.42664	3.3
591.43616	14.0
609.25806	3.4
609.45099	100.0
610.45203	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	609.4513
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
52.78037	4.1
53.02795	3.9
55.05508	30.2
56.06663	4.0
66.67399	4.5
67.05498	46.5
69.07055	24.8
71.48813	4.5
71.80916	4.5
77.18947	4.5
79.05475	24.0
79.71713	4.7
81.07053	51.9
83.08626	10.0
91.05476	21.2
93.07019	26.8
95.04932	5.7
95.08607	42.2
97.10185	8.5
105.07014	24.1
107.08595	16.7
109.10139	18.7
117.07021	14.6
119.08598	21.3
121.10139	14.8
129.07025	18.4
131.08563	19.1
133.10104	16.7
135.11711	10.8
141.06996	12.3
143.08549	21.9
145.10130	24.7
147.11703	10.0
155.08562	20.1
157.10120	22.7
159.11717	16.1
161.13261	6.3
169.10115	27.3
171.11671	24.2
173.13330	8.1
179.08554	6.8
181.10077	11.2
183.11674	17.3
185.13211	12.0
195.11687	12.4
197.13339	18.8
199.14925	5.6
209.13129	10.8
211.14822	15.0
219.11755	7.6
223.14801	7.1
225.16373	7.3
237.16405	6.3
239.17882	7.3
264.78290	5.4
271.16901	5.7
289.19620	6.1
517.40240	11.9
591.43695	18.6
609.45294	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	8.8
72.81385	5.1
81.03396	4.9
83.04993	7.0
85.02914	7.1
91.05466	19.7
98.09982	4.9
119.04951	24.4
138.09094	10.2
147.04405	100.0
148.04776	10.8
164.07106	16.9
198.69907	5.9
217.99269	6.6
239.67154	5.8
246.93970	6.0
280.61694	7.1
303.04953	56.7
304.05505	10.2
317.61603	6.9
400.03656	10.1
407.06549	7.4
474.24814	7.0
609.27649	12.5
624.12329	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	610.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28123	11.3
68.49334	11.6
75.85726	12.0
91.05786	57.9
95.70802	11.6
114.07364	100.0
160.22159	12.6
167.05612	22.6
190.90742	11.3
239.09462	32.0
285.00980	25.1
299.06183	16.0
307.54083	15.9
355.07053	63.9
591.81885	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	610.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80639	12.5
55.05519	14.2
67.05473	13.5
69.03396	23.0
71.04999	17.1
72.47771	12.5
77.90471	13.8
81.03415	15.7
81.07020	16.3
85.02883	52.7
88.10488	17.4
97.70518	15.6
109.10156	20.5
119.31883	15.6
125.09624	29.9
127.00231	14.5
127.03892	77.5
134.04460	22.8
139.03914	47.0
149.09657	22.3
151.03922	25.2
159.08029	44.8
173.09560	35.1
183.08057	26.9
215.14339	46.9
225.12691	36.8
233.81607	20.0
243.13809	60.2
257.19000	32.5
273.18399	19.6
285.18549	56.5
315.19537	100.0
337.92493	18.8
610.21161	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	610.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89282	0.7
50.96527	0.7
53.03923	1.6
56.50609	0.7
57.03408	1.3
57.07076	0.8
61.02918	1.6
62.20683	0.8
63.61211	0.9
67.05502	1.4
69.03420	10.3
69.07058	1.3
71.04973	3.0
72.06400	1.1
79.05482	3.0
81.03419	6.3
81.07048	100.0
85.02897	40.9
95.08598	8.3
97.02885	14.4
99.04447	15.1
102.80379	0.9
103.03934	36.5
109.02869	6.5
109.60523	0.9
127.03905	45.1
129.54875	0.9
137.05962	2.2
137.13240	18.7
137.14244	1.2
140.49785	1.0
145.04948	24.8
146.66542	1.0
163.06006	35.5
182.45197	0.9
186.07661	1.5
187.06073	1.3
188.49675	1.1
205.07121	1.9
253.07121	1.1
271.07980	4.8
289.09235	3.8
307.10208	22.0
336.32825	1.1
395.51227	1.0
399.67648	1.0
410.59061	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35975	1.0
57.04977	1.2
57.07056	5.1
61.02560	1.0
66.77678	1.0
67.05492	2.2
70.02938	1.6
73.94688	1.2
79.05477	3.4
81.07073	1.5
84.04490	17.8
85.02891	5.1
85.06506	1.6
85.78133	1.2
91.05466	1.6
93.66386	1.2
95.04967	1.7
96.04488	22.4
98.62336	1.1
102.05534	4.5
105.06985	1.4
106.06525	5.9
107.04893	1.4
108.04472	3.7
109.40015	1.2
113.02341	2.3
114.05539	2.3
117.07055	1.9
134.06001	24.6
136.03983	1.9
137.09616	4.5
139.18983	1.2
145.02829	1.2
145.06441	2.2
154.04951	2.6
162.05505	26.0
175.08734	1.4
175.69804	1.3
180.06551	24.8
181.25546	1.3
182.04482	2.9
187.11189	5.7
188.07002	2.8
198.07698	1.8
200.05569	5.3
208.06046	42.5
209.06477	1.9
226.07101	17.6
229.12262	6.8
273.91281	1.5
292.11929	1.8
342.22147	1.7
350.15891	1.8
376.17517	100.0
377.18066	1.6
395.25778	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	610.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	9.1
57.07073	39.4
60.56735	3.1
67.57198	3.9
70.04272	3.5
74.65601	3.3
78.96098	3.6
81.07026	3.9
83.08620	5.8
85.06541	18.4
91.05462	12.9
103.05464	7.0
109.06535	4.0
110.35704	3.5
119.04943	18.6
131.04921	11.5
137.05969	76.8
147.04353	4.8
151.07576	10.8
156.07570	4.1
161.05981	11.4
175.07581	9.5
243.15456	3.8
383.22186	100.0
514.13715	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	611.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14545	1.3
54.93125	1.5
59.19994	1.5
61.93092	1.3
66.77955	1.3
74.20229	1.3
94.93011	2.4
96.28781	1.5
109.95911	1.4
121.38356	1.6
139.93274	1.6
173.80850	1.4
209.08673	2.1
212.85184	1.9
268.94809	6.7
268.98209	100.0
297.87234	1.7
303.19150	1.6
311.42239	1.5
339.35596	1.8
371.03250	2.0
381.07968	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	611.1395
Annotation	Gallocatechin-(4alpha->6)-gallocatechin
Peak:m/z	Relative Intensity
50.62141	1.9
51.34336	2.5
60.20601	2.0
66.66129	1.9
68.99758	4.1
69.18289	2.2
73.73572	2.2
98.03441	2.2
101.79275	2.3
109.02860	4.1
111.00813	6.8
121.06477	3.0
121.32300	2.3
123.04456	8.5
127.03905	100.0
129.75554	2.7
133.02911	3.1
135.04468	2.9
136.18405	2.7
139.03888	77.3
147.04459	6.2
151.03897	26.8
163.03894	5.7
175.03891	13.2
177.05466	3.7
179.03329	28.4
191.03358	4.2
197.78850	2.4
201.05463	3.7
203.03432	13.7
213.05399	2.8
229.04826	3.1
245.04402	5.9
253.35500	2.8
257.04474	6.0
263.05557	10.5
275.05588	11.3
287.05524	30.4
299.05408	15.3
305.06577	6.7
307.07935	5.6
317.06628	9.0
425.08682	7.1
574.59772	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1393
Annotation	Gallocatechin-(4alpha->6)-gallocatechin
Peak:m/z	Relative Intensity
51.55673	2.3
61.70763	2.5
63.93382	2.4
68.99793	5.1
70.99966	3.2
82.35801	3.6
95.04981	3.1
109.02850	3.4
111.00794	8.7
117.67913	3.2
123.04439	12.6
127.02955	4.1
127.03904	85.5
135.04329	5.4
139.03893	100.0
147.04344	5.1
151.03885	26.0
163.03897	14.9
175.03900	11.7
177.05481	6.9
179.03397	35.1
181.04898	4.6
189.05505	3.6
191.03412	6.3
193.05022	9.1
203.01547	4.0
203.03293	19.9
213.05455	3.7
217.04935	3.7
229.04939	5.0
245.04410	8.0
253.04912	4.7
257.04364	13.9
263.05536	4.8
269.04309	4.7
275.05621	11.9
277.12930	3.3
287.05460	37.7
288.62137	3.9
299.05536	11.9
305.06470	6.6
317.06558	8.3
374.94940	3.6
425.08533	16.5
443.09528	5.4
567.11981	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	611.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
65.94833	1.0
68.99781	3.8
81.03410	2.8
87.76347	1.2
95.04954	1.4
107.04942	1.3
109.02889	4.2
111.00771	4.9
111.04403	1.7
119.04907	1.4
121.02888	1.6
123.04470	8.5
127.03909	78.3
133.02817	2.0
135.04414	3.0
139.03897	100.0
147.04417	3.6
149.02441	1.4
151.03911	27.2
153.20604	1.3
155.03456	1.8
157.06490	2.2
161.05855	1.3
163.03908	13.2
165.05453	2.6
167.03558	1.5
169.18205	1.8
171.04482	1.3
175.03922	11.0
177.05510	4.7
179.03395	28.3
181.04961	3.2
185.05949	1.8
187.03954	1.8
189.05542	2.1
191.03400	5.6
193.04987	2.8
197.05998	1.7
199.03885	1.6
201.05473	1.6
203.03406	11.8
205.05011	1.8
213.05525	3.8
216.00795	1.6
217.04968	3.5
229.04935	3.6
231.06477	1.9
233.04492	3.1
241.05023	1.8
245.04439	6.7
250.04832	1.3
257.04410	9.5
259.06033	2.6
263.05447	8.5
269.04434	2.9
271.05997	2.3
275.05432	11.6
287.05478	26.9
289.07275	1.8
299.05435	10.2
305.06592	7.4
307.07959	6.9
317.06546	9.2
415.74628	1.3
425.08646	12.9
443.09628	5.2
467.09372	1.9
607.36676	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	611.1396
Annotation	Gallocatechin-(4alpha->6)-gallocatechin
Peak:m/z	Relative Intensity
53.85875	5.0
62.01516	5.2
65.03893	6.3
68.99760	5.6
91.72115	5.2
123.04417	7.7
127.03907	80.2
137.05881	6.9
139.03911	100.0
146.36053	6.8
147.04402	7.0
151.03912	26.6
163.03909	13.1
175.03955	16.8
179.03354	31.4
181.05060	9.5
201.05498	9.0
202.52580	6.6
203.03429	21.5
217.42702	6.8
245.04333	15.1
247.23465	7.6
258.16937	6.6
275.05478	12.7
287.05487	42.7
298.23428	6.7
299.05545	14.9
425.08932	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	611.1399
Annotation	Gallocatechin-(4alpha->6)-gallocatechin
Peak:m/z	Relative Intensity
53.03923	1.4
68.02872	1.2
68.99775	4.3
81.03429	1.8
84.60621	1.4
91.71660	1.4
95.04944	1.9
99.04469	1.8
107.04931	1.8
109.02888	3.5
111.00806	6.3
123.04422	9.1
127.03914	94.4
129.88065	1.3
133.02841	2.8
135.04443	2.1
139.03896	100.0
147.04398	5.1
151.03891	26.7
155.03442	1.4
159.04439	2.7
161.05899	2.2
163.03883	8.7
165.05487	1.8
167.03455	3.4
171.67245	1.6
175.03915	9.5
177.05482	4.8
179.03395	28.4
181.04932	2.3
184.97687	1.4
189.05591	2.5
191.03372	7.2
191.86865	1.4
193.05017	4.1
195.55913	1.4
199.03915	1.5
201.05460	2.6
203.03380	14.1
205.04964	2.8
213.05515	3.3
217.04877	4.0
229.04984	4.9
231.06677	1.9
232.95628	1.4
233.04314	2.6
239.11613	1.5
245.04480	6.2
247.05692	1.6
251.05380	2.4
257.04474	5.3
259.06125	2.5
263.05493	15.5
269.04358	2.9
271.05927	2.1
275.05515	12.6
287.05453	26.9
289.07047	1.7
292.56552	1.7
299.05457	13.6
305.06592	5.7
307.08139	6.4
317.06497	11.6
331.30765	1.4
351.98367	1.7
356.19064	1.8
425.08612	9.2
443.10141	6.5
526.74872	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	611.1604
Annotation	Robinetin 3-rutinoside
Peak:m/z	Relative Intensity
51.69247	1.1
57.03413	1.7
59.92026	1.2
69.03429	2.5
71.04984	20.0
75.48474	1.3
79.11760	1.4
85.02433	1.8
85.02896	23.0
97.02856	3.1
104.95736	2.0
111.72912	1.5
127.03908	10.3
129.05530	2.9
133.44676	1.7
137.02322	4.1
139.03891	9.0
151.03925	2.4
153.01859	4.8
165.01872	2.1
179.03421	3.0
201.05455	1.9
202.02545	2.4
203.03314	2.6
229.04944	3.5
242.20049	1.8
245.04282	2.3
257.04599	2.7
287.05496	7.6
303.04953	100.0
304.05264	4.5
425.09137	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	611.1603
Annotation	Rutine
Peak:m/z	Relative Intensity
52.63892	0.7
57.03445	2.5
59.87176	0.9
62.36675	0.6
69.03438	1.7
70.06584	1.2
70.43250	0.7
71.04986	16.7
72.22168	0.7
73.02901	0.9
75.04490	0.6
78.63365	0.7
80.10732	0.8
81.03439	1.4
85.02897	22.6
85.04266	0.7
91.79613	0.7
97.02922	2.5
108.24706	0.7
109.02880	0.8
111.00810	1.1
113.44142	0.9
119.51430	0.9
121.02907	1.5
125.31486	0.9
127.03925	2.0
129.05508	3.7
137.02371	2.9
145.04988	1.4
148.72417	0.8
153.01880	3.5
165.01935	2.5
179.82211	1.0
192.54965	0.9
201.05516	1.9
229.05063	3.6
257.04541	2.2
285.04059	1.4
303.04968	100.0
304.05417	2.8
357.76907	0.8
373.59833	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1607
Annotation	Quercetin 3-galactosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
53.00292	0.8
53.03934	0.7
55.01853	0.9
55.05486	1.2
57.03197	0.9
57.03432	8.0
59.04969	1.1
61.02901	2.1
62.57279	0.6
68.99768	0.8
69.03084	0.9
69.03419	10.9
71.04985	58.6
73.02871	1.8
75.04462	4.5
81.03408	3.5
83.04982	8.6
85.02899	77.8
86.06042	1.4
87.04454	1.8
95.04973	0.8
97.02912	5.6
97.03444	1.0
98.06039	1.4
99.04443	1.6
109.02869	3.0
111.00767	1.6
111.04437	4.6
121.02859	2.1
127.03910	4.6
129.05473	19.5
137.02328	10.7
137.03320	1.3
145.04929	1.9
145.06155	0.6
147.06583	4.4
149.02299	1.8
153.01805	5.3
155.90324	0.9
160.43994	0.7
161.02365	0.7
161.05856	0.8
163.03871	1.3
165.01799	3.3
173.06003	1.3
183.02916	1.3
188.09096	1.0
195.02953	1.1
201.05479	3.0
229.05008	4.4
247.06068	1.1
257.04337	3.5
267.06747	0.9
285.03915	1.4
299.05383	2.0
302.04013	0.9
303.04968	100.0
304.05255	2.1
315.04947	9.5
316.05630	2.1
327.04993	5.3
341.06488	1.8
345.06046	26.7
346.06442	0.8
369.06137	5.1
395.07666	2.7
413.08636	7.6
431.09567	4.2
444.57169	1.1
449.10800	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1605
Annotation	Rutine
Peak:m/z	Relative Intensity
53.08361	0.9
57.03416	1.7
69.03431	2.0
71.04979	20.0
75.04456	1.3
79.44190	1.3
85.02894	21.0
97.02883	2.6
109.02934	1.3
111.00817	1.8
116.45827	1.1
123.04465	1.4
127.03893	8.7
129.05460	2.9
137.02382	2.4
139.03926	5.7
151.03867	2.2
153.01831	3.7
163.03926	1.4
167.50397	1.3
179.03401	3.1
181.72156	1.4
201.05554	1.9
229.04947	4.8
239.86102	1.2
257.04318	3.5
261.16342	1.2
275.05637	1.4
287.05475	1.5
303.04953	100.0
304.05338	2.1
305.06314	1.4
403.37149	1.3
446.80530	1.3
466.65588	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	611.1608
Annotation	Quercetin-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside
Peak:m/z	Relative Intensity
50.51128	1.4
57.03420	6.8
62.80996	1.9
64.90364	1.7
68.99743	1.7
69.03432	2.2
70.06568	3.3
71.04984	32.6
72.08128	1.9
75.04456	1.9
76.02173	1.8
81.03422	2.8
83.93250	1.7
84.04497	2.3
85.02898	43.8
97.02904	2.7
101.85999	1.8
102.06667	1.7
109.02878	3.3
112.02994	1.9
120.08079	3.2
121.02881	2.4
127.03932	2.6
129.05501	7.0
137.02335	4.0
151.03871	2.8
153.01805	4.0
165.01825	4.9
182.84480	1.9
206.44275	2.0
229.04993	4.0
247.99872	2.5
259.11075	2.7
287.05490	71.3
289.63782	2.6
303.04971	100.0
421.78796	2.9
449.10657	5.1
465.10040	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	611.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88214	4.3
74.64850	4.2
101.37137	4.0
137.05936	5.1
153.58846	4.4
164.08687	4.9
278.13290	5.2
308.65875	5.7
479.82181	6.1
611.26099	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66010	1.4
69.07066	3.2
74.97948	1.7
80.46637	1.8
80.92257	1.8
81.07035	2.3
81.32260	1.8
94.76046	2.1
121.04484	1.9
125.09641	4.1
128.32510	1.8
131.08626	3.0
147.04382	2.1
202.07359	4.1
217.09724	5.5
228.09061	3.9
233.09207	3.0
235.55299	2.3
243.11302	5.4
259.10751	2.9
261.08673	66.3
271.10611	2.5
287.10217	49.3
287.13162	3.5
303.05011	4.1
349.17847	3.0
364.12878	29.9
364.16827	4.2
366.14551	2.8
378.18256	3.9
380.19586	4.0
382.82703	2.6
398.17081	11.4
408.19159	45.7
409.19586	2.6
424.18512	12.7
426.20065	3.2
438.20193	100.0
439.20502	4.2
442.12732	2.2
456.21103	2.2
573.16565	2.3
575.28577	86.6
576.28839	5.3
593.29309	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	611.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30182	12.2
54.53620	10.5
55.05492	42.6
57.07055	32.7
67.05508	66.4
69.07060	100.0
81.07052	78.6
83.08597	65.3
84.75171	13.3
85.06508	11.9
85.10159	14.7
91.05451	16.0
91.70442	13.0
93.07040	32.2
94.14290	13.9
95.08601	68.6
96.78001	13.0
97.06495	20.3
97.10168	27.1
107.08588	56.1
109.10155	31.8
111.11740	18.3
120.00491	13.6
121.10147	55.4
125.09707	18.8
135.11691	31.9
149.13239	33.1
153.96141	13.6
164.43936	13.7
235.99940	18.2
275.33395	14.9
280.03476	15.4
287.22122	43.9
289.87207	19.9
321.95688	17.2
325.23801	76.0
507.26196	18.3
593.44257	19.3
611.45129	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	611.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	5.3
55.05284	3.8
55.05505	33.8
57.03414	12.5
57.07044	5.0
67.05495	88.3
69.07054	31.2
79.05490	54.0
81.06596	7.9
81.07043	100.0
82.64281	3.9
83.08591	21.2
91.05471	56.6
93.07039	74.3
95.04939	8.7
95.08593	67.0
97.10165	7.2
105.07027	59.7
107.08587	46.0
109.06503	5.1
109.10143	22.1
117.07017	23.8
118.62963	4.4
118.77663	4.0
119.08576	49.2
121.10136	35.3
123.11742	5.2
126.05875	4.6
128.06215	4.5
129.06978	22.2
131.08566	39.6
133.10118	42.7
135.11673	22.8
143.08560	16.5
145.10072	33.5
147.11700	30.3
149.13257	11.7
157.10097	23.9
159.11670	25.3
161.13226	21.5
169.10135	13.6
171.10356	5.5
171.11671	27.7
173.13203	23.1
175.14847	13.3
178.12537	5.3
183.11670	7.4
185.13219	10.8
187.14789	7.8
189.16498	4.8
197.13286	7.3
199.14909	7.9
213.16422	7.6
241.19543	14.2
259.20465	36.6
261.22110	6.4
315.23154	4.9
333.24170	13.2
335.25671	25.2
353.90976	5.0
519.41962	9.6
573.59314	5.3
611.46729	81.6
612.46594	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	611.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69297	14.8
51.45640	15.4
55.05499	28.8
55.74443	18.9
59.06800	16.3
59.79584	19.2
67.05502	55.2
67.31812	24.0
69.07075	31.0
75.49036	17.7
79.05502	26.3
81.07054	61.1
83.36087	19.6
91.05476	55.9
93.07087	26.5
95.08624	58.0
100.75854	20.1
105.07017	26.0
107.08572	20.3
111.29234	18.5
115.15773	19.1
117.06998	20.5
119.08619	43.0
123.20265	20.3
131.08577	27.4
133.10210	37.4
143.08542	30.2
145.10150	31.9
151.07573	28.0
157.10258	28.6
169.10233	28.1
181.26791	23.2
251.36539	25.2
252.85468	24.9
535.50446	26.5
611.46545	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	29.5
57.03416	10.7
57.07068	7.5
67.05494	100.0
69.07065	33.1
79.05483	47.9
81.07043	85.6
83.08592	16.2
83.50738	4.5
91.05475	71.1
91.71635	6.6
93.07034	73.0
94.32098	5.3
95.04951	12.3
95.08591	66.9
97.06520	5.7
97.10175	6.5
105.07034	71.1
107.08580	40.7
109.10168	27.9
117.07003	25.7
119.08582	65.3
121.10165	32.6
123.11745	7.0
129.07051	10.2
131.08534	33.0
133.10121	39.3
135.11703	20.5
143.08553	21.2
145.10114	34.2
147.11710	25.8
149.13261	10.5
155.08562	8.5
157.10139	20.9
159.11693	28.4
161.13239	16.4
169.10179	8.2
171.11716	22.0
173.13249	15.5
175.14890	6.6
183.11676	7.3
185.13216	10.6
187.14897	7.8
189.00188	5.9
197.13330	8.2
199.14708	10.7
213.16437	6.6
239.17975	6.1
241.19493	10.7
243.21237	7.1
257.19168	6.3
259.20569	34.8
311.76581	5.5
333.24191	11.1
335.25900	19.1
501.32248	5.7
503.43781	5.8
593.45935	7.7
611.46704	74.2
622.96002	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	612.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.9
58.99578	13.9
67.22497	0.9
68.99760	1.0
72.83894	1.0
76.02221	100.0
76.03989	2.9
81.03417	2.4
84.04501	28.4
86.99024	3.3
88.02209	1.3
91.71052	1.3
95.04951	1.8
96.30130	1.2
109.02857	6.5
116.01669	20.6
116.36184	1.3
123.04412	7.6
126.07461	1.1
127.03905	6.4
130.05002	10.6
133.02855	1.3
139.03899	9.7
142.03212	8.6
142.47765	1.4
144.01155	10.9
151.03889	17.0
155.03409	4.9
162.02199	34.5
170.02740	2.8
179.03412	4.7
179.04837	56.5
187.05373	2.3
219.06351	1.2
233.05899	13.7
245.06041	2.6
265.19794	1.5
287.05521	4.4
290.08157	2.0
291.06601	1.8
308.09079	66.4
309.43567	1.3
537.73712	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	612.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70375	2.8
55.01858	7.3
56.05014	4.2
57.03419	19.8
58.99562	4.5
59.25229	2.4
69.36670	3.0
70.06585	6.6
71.04969	4.5
74.38686	2.8
76.02215	19.2
76.03995	2.9
79.05495	4.9
81.07040	20.4
83.06090	4.5
84.04501	13.9
85.02906	5.2
86.00639	4.9
86.99052	3.9
87.04459	5.6
93.07056	4.2
97.06538	5.2
98.09692	16.6
99.02159	3.0
99.08096	9.1
101.02380	9.4
102.05532	5.2
105.06991	2.8
110.07177	14.7
112.03955	4.9
113.04231	9.0
115.03915	17.2
116.01652	15.3
129.01822	5.3
130.05023	8.3
130.69012	3.4
135.60059	3.2
139.05724	4.3
142.03241	4.5
143.03374	4.4
144.01164	6.2
150.38997	3.2
156.08476	16.4
156.10191	15.0
157.01349	9.6
157.06828	7.7
162.02225	18.1
174.09514	6.1
179.04819	8.7
189.03888	25.2
207.05016	6.1
216.06877	7.7
259.11087	100.0
291.86099	3.2
298.81094	3.7
308.09113	5.2
344.37900	4.0
389.01160	3.9
397.14783	3.9
406.16409	14.6
465.15369	5.8
483.16574	12.9
537.17731	8.7
612.20764	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	612.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84696	2.6
55.01862	10.0
55.05487	3.7
55.41016	2.8
56.05015	6.7
56.93959	2.4
57.03431	21.3
58.99566	11.4
59.53410	2.4
61.17915	2.4
69.07041	8.2
70.06568	7.3
71.04973	5.9
73.02904	3.1
76.02223	31.9
77.29833	2.9
79.05502	4.1
79.78419	3.6
81.07054	42.5
82.44923	2.8
83.06117	3.5
84.04491	18.7
85.01128	6.2
85.02896	10.9
86.00661	3.8
86.99052	6.0
87.02679	9.9
87.04489	6.0
89.22126	2.8
93.07027	4.9
95.04956	6.2
95.08595	6.5
97.06519	7.6
98.09685	12.4
99.08103	11.9
101.02367	9.5
102.05543	5.2
102.13651	2.9
105.07047	6.6
109.10118	3.2
112.03968	6.6
113.04250	8.8
115.03944	17.3
116.01659	27.4
117.07055	4.0
129.01837	11.1
130.04994	9.6
130.06914	5.5
131.08531	4.4
135.04482	3.3
139.05775	3.2
143.03439	4.6
144.01167	8.4
145.05020	3.5
145.10152	3.9
156.08398	26.4
156.10194	13.8
157.01318	14.5
157.06860	7.0
159.11681	9.8
162.02203	26.7
174.09453	7.8
177.12726	10.5
179.04880	13.5
189.03938	33.2
207.04990	5.4
210.11246	6.1
216.06883	7.9
229.73714	4.2
259.11105	100.0
287.11398	4.4
305.10071	4.5
331.13095	5.5
380.13727	8.7
388.15244	7.3
397.14600	7.1
406.16409	26.7
483.16473	18.2
537.17676	6.7
612.20648	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	612.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	2.4
53.38347	1.6
53.97823	1.8
56.80258	1.6
57.03426	16.0
59.04994	4.3
69.03419	73.1
70.06564	1.9
71.04969	2.5
75.04481	6.2
75.04888	2.4
79.05463	2.1
81.03380	2.4
84.04502	3.1
85.02892	67.6
87.04457	53.7
91.71684	2.0
94.11149	1.9
97.02879	84.3
98.06053	3.1
99.04439	3.9
107.04951	6.2
109.02855	3.3
115.03921	100.0
123.04452	3.6
127.03938	16.4
127.04748	2.9
127.54572	2.3
133.04959	65.9
139.03896	5.6
139.07585	7.7
145.04956	12.4
151.03864	3.0
151.07539	2.8
163.06020	3.1
174.07669	2.9
235.09500	2.4
241.07224	4.5
245.09689	2.7
259.08185	4.9
287.05524	2.6
295.10321	4.0
327.87396	2.6
344.44812	3.0
391.26898	2.5
572.21021	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	613.155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23059	0.6
68.99798	0.8
93.03400	1.0
111.04411	2.3
114.45067	0.9
116.24783	1.0
123.04484	1.4
127.03887	0.9
133.02888	0.9
135.04417	1.4
139.03891	100.0
140.04298	1.4
151.02846	1.1
151.03889	5.3
162.55609	0.8
163.03922	6.6
181.04970	2.4
195.06546	1.0
197.06128	1.1
271.05975	2.1
289.06976	4.7
301.07068	1.8
307.08145	3.3
427.10382	2.0
428.73505	1.0
457.11514	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	613.1592
Annotation	Glutathione disulfide
Peak:m/z	Relative Intensity
58.99555	4.2
65.43432	2.9
74.00652	6.9
76.02219	18.5
76.03983	10.3
76.69471	2.3
83.01984	2.9
83.06107	5.7
84.04494	21.4
85.04014	28.1
92.01695	7.6
96.19553	2.5
99.05576	4.4
100.02209	4.5
107.99386	11.8
109.07652	7.2
112.03951	7.3
113.03466	10.4
116.01690	4.2
129.06609	5.1
130.04994	39.7
131.04524	32.2
131.99374	13.1
136.03960	5.1
139.03320	3.5
142.03203	3.8
144.01091	3.7
149.03740	4.0
153.06599	9.4
155.08147	11.0
159.02292	4.3
162.02202	10.5
177.03290	51.2
179.04884	11.8
181.06090	7.0
185.03802	45.7
199.07219	13.7
209.00499	8.7
211.02126	11.8
231.04314	100.0
234.44101	3.2
235.02061	17.7
288.06555	8.3
335.53381	3.5
355.07343	79.2
385.03967	3.0
409.08347	14.0
484.11737	17.5
538.12567	7.1
595.14764	4.7
613.15466	7.0
644.65680	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	613.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99517	3.0
58.68919	3.1
63.94455	3.4
65.03920	8.5
66.60803	3.0
67.05494	5.4
68.39690	3.7
79.05490	8.2
81.03400	16.5
91.05472	13.6
95.04966	13.7
103.05466	25.4
105.03387	4.9
105.07033	7.1
107.04951	12.5
115.05470	10.2
117.07031	8.3
119.04877	5.8
120.08694	4.1
122.03647	5.9
123.04465	10.9
131.04881	38.3
131.05617	3.3
133.06480	14.7
137.04385	4.6
137.05972	100.0
138.46254	3.7
145.06456	12.7
147.04420	6.3
148.05153	7.6
149.05934	7.4
151.03900	82.0
151.05023	6.3
151.07561	4.6
153.05449	5.6
161.05978	13.0
163.07542	24.4
165.05476	15.0
167.07016	37.7
171.06424	4.2
173.06003	8.5
175.07660	5.7
177.05492	12.4
181.04944	60.9
182.09447	8.4
190.06299	6.7
191.07011	99.2
192.07875	6.1
193.08749	8.2
198.39456	4.5
203.07005	5.6
204.83000	5.0
205.06604	4.6
205.08636	12.5
208.07317	6.1
210.08853	9.7
220.31842	4.6
225.07628	7.8
233.07961	5.8
235.09634	8.5
263.09238	10.8
264.10590	4.9
269.08060	7.1
271.72565	4.8
315.08582	9.9
327.12363	6.8
355.11765	6.9
369.13123	4.4
387.14365	21.2
524.16779	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	613.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
62.86834	7.1
71.59840	7.3
76.92276	7.3
81.07046	24.6
82.07375	9.5
85.02904	13.1
88.43806	7.9
102.43422	8.0
128.40730	9.7
128.69234	8.8
129.07167	9.7
137.06013	51.7
147.39923	8.8
151.03897	100.0
167.81841	11.2
179.06972	11.8
187.07573	21.6
231.08162	10.4
238.25217	8.5
251.69217	8.6
263.10663	9.6
291.10181	18.6
323.12827	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	613.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21639	1.5
62.95061	2.0
69.14590	1.8
72.08157	3.0
80.63350	1.6
83.73093	1.7
86.09700	9.0
91.75690	1.7
97.92695	2.2
137.06023	2.1
139.42862	2.1
157.13330	2.6
202.06067	2.7
246.77266	2.1
278.88263	1.9
395.97110	2.3
613.27692	100.0
614.28174	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	613.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25462	17.9
55.19916	13.9
56.96571	71.5
65.36951	17.9
71.98164	18.2
82.14749	18.0
98.97604	81.9
99.09662	17.4
116.98655	58.3
121.49387	18.1
131.00208	51.2
131.06038	20.7
140.00253	70.0
149.01260	29.7
154.01804	31.3
158.01285	37.8
158.99719	37.2
172.02908	47.0
177.00674	24.6
181.02866	23.2
192.04276	20.5
195.04483	20.6
200.02386	66.8
242.83929	23.0
275.04456	24.7
293.05524	26.9
299.94482	25.7
316.07092	70.0
317.17880	92.1
334.07831	23.8
358.20575	100.0
409.54916	21.3
553.27051	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	613.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99969	14.9
56.96566	71.0
72.40086	19.4
72.66253	22.0
76.32429	18.8
82.15822	15.2
97.99191	19.8
98.97610	70.1
100.60481	18.0
116.98660	34.7
131.00235	32.3
140.00189	48.3
149.01166	22.0
154.01828	27.3
158.01303	30.3
158.99693	44.5
161.06926	19.9
168.75150	21.3
170.01300	22.2
172.02814	30.9
195.04515	33.6
200.02417	52.0
240.05547	19.4
316.07227	63.7
317.17950	53.2
334.08261	35.9
335.18872	24.3
358.16797	21.4
358.20425	100.0
553.27124	81.9
574.70874	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	613.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.2
59.63090	0.9
69.07063	2.3
72.08144	23.8
73.13528	1.2
86.09695	100.0
112.11197	2.6
130.06802	1.3
144.08542	1.2
157.13399	11.3
158.06364	4.3
159.80096	1.4
175.08984	7.9
185.12823	10.1
189.10555	2.7
194.14336	1.3
199.18140	1.7
203.08459	4.4
213.15987	2.1
217.09973	6.3
225.19691	1.5
285.16052	1.8
298.21191	2.3
316.16837	6.0
330.18549	1.5
387.20593	11.4
401.22217	2.9
429.25375	1.5
439.08359	1.3
455.26816	1.7
472.29453	1.8
500.28769	12.4
514.30029	2.1
568.35327	2.1
585.37811	1.9
613.37146	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	613.4822
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.47656	7.8
55.05511	18.5
57.03413	8.6
60.51611	8.4
67.05499	73.2
69.07052	36.0
71.51400	7.1
71.64490	7.4
79.05476	36.9
81.07043	100.0
83.08607	14.9
86.09695	9.0
91.05471	31.7
91.71647	17.4
93.07027	52.2
95.08592	73.8
105.06396	7.1
105.07008	46.5
107.08591	41.7
109.10152	34.9
119.08589	28.2
121.10147	25.5
123.11684	15.7
131.08562	30.4
133.10156	23.9
135.11723	19.8
142.10899	7.8
145.10104	14.3
147.11670	15.9
149.13295	11.1
159.11719	19.1
173.13226	18.4
177.12718	9.3
185.13161	9.8
199.14841	10.0
261.22134	11.4
281.09555	9.1
335.25732	14.0
558.38098	12.0
613.48071	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4823
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
55.05499	29.1
57.03418	8.6
57.07056	7.9
57.97420	4.5
61.07634	5.5
67.05493	85.5
69.07065	31.9
71.04952	5.5
79.05486	40.3
81.07043	100.0
83.08633	13.4
91.05476	37.2
93.07029	71.2
95.08598	82.2
105.04561	5.9
105.07022	33.3
107.08561	31.4
109.10150	44.2
111.50888	5.7
113.70659	5.3
117.07016	15.8
119.08587	38.3
120.37469	6.2
121.10150	30.2
123.11644	9.2
129.06982	8.3
131.08548	29.0
133.10123	31.3
135.11690	24.7
144.73027	5.9
145.10132	25.6
147.11688	24.7
149.13283	14.6
157.10118	8.6
159.11687	19.2
161.13234	17.3
163.14796	9.2
171.11658	6.8
173.13228	14.4
175.14912	7.9
187.14786	8.4
199.14719	6.4
226.37422	5.8
259.20615	8.4
261.22131	18.3
319.22604	7.0
333.24088	8.1
335.25586	27.4
337.27271	13.9
359.99432	6.9
443.89072	7.6
497.60751	7.7
537.19318	7.3
595.47308	13.9
613.48187	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91172	4.8
66.02467	4.7
69.55868	3.8
71.15850	5.0
91.05489	12.6
93.31860	6.2
99.54331	4.7
103.05511	14.6
131.04971	18.3
135.36534	4.9
137.05966	100.0
137.06911	7.5
140.95085	5.1
151.07597	16.1
158.49535	5.1
245.09612	5.8
246.98907	5.5
249.21335	5.6
289.08685	5.9
303.10300	13.5
315.10358	9.6
316.11026	6.9
347.12851	9.1
365.13770	6.5
383.14786	9.7
417.57446	5.4
471.17578	25.4
483.18033	17.3
531.19934	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	614.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44764	1.2
55.01863	5.5
55.05505	1.4
57.03421	3.4
57.22023	1.3
60.53714	1.3
61.02905	5.9
64.94758	1.6
65.49805	1.2
65.53929	1.4
67.05493	5.9
69.03423	4.7
69.07063	4.9
70.06583	3.6
71.04987	1.9
79.05492	6.4
80.98001	1.3
81.03416	31.2
81.07043	5.1
83.04965	2.5
84.04507	1.8
85.02903	6.3
86.09696	2.6
91.05469	13.6
93.07040	5.7
95.01314	1.9
95.04977	6.9
95.08627	3.9
97.02888	3.8
97.06525	3.8
105.07001	7.6
107.04948	2.2
107.08599	2.7
109.06528	3.3
117.07017	2.6
119.08598	3.9
121.02863	2.7
121.10155	5.1
123.04448	1.9
123.08095	2.8
127.98485	1.6
128.06207	3.0
129.07004	1.6
131.04941	2.1
131.08556	4.4
131.12224	1.5
133.06535	2.1
133.10147	14.6
135.04384	4.6
135.08109	2.7
143.08566	5.3
145.10158	2.6
147.04453	3.9
147.08038	2.4
149.09634	8.2
151.11201	2.0
152.82695	2.0
155.08640	2.3
159.08051	2.7
161.09587	21.4
163.03911	3.9
169.10097	2.2
171.08023	3.8
173.09685	2.7
179.10693	16.7
187.11200	4.4
189.09119	3.4
191.10735	2.1
193.27579	1.9
197.09613	2.5
201.09111	1.9
205.12199	2.5
215.10701	4.7
217.12297	4.1
225.11165	2.0
233.11737	5.2
243.10164	4.0
244.86829	1.7
261.11197	16.5
279.12280	8.4
289.10672	3.6
297.13394	7.4
301.30225	1.8
307.11703	8.8
325.12842	5.5
330.30701	1.8
343.13879	3.8
353.16141	2.0
371.17139	3.8
375.75204	1.9
379.79755	1.7
381.15775	1.9
399.16476	100.0
400.16824	1.9
417.17514	22.7
536.87042	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	614.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37435	4.1
54.48852	4.6
57.07070	15.7
70.06586	36.2
88.07137	7.6
88.07607	45.1
102.09166	31.5
110.27988	5.8
135.04355	5.9
149.02328	76.2
149.03395	8.0
151.03922	6.8
165.87933	5.8
169.06561	5.9
170.63777	5.5
193.04968	77.5
210.01422	5.6
228.69640	6.7
234.07033	5.9
256.26309	71.0
298.24475	6.1
341.06372	10.2
385.04578	9.8
385.09146	72.6
428.59381	6.3
520.12573	6.2
614.33411	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.7
55.05504	9.2
67.05497	25.0
69.07043	11.4
72.08146	3.7
73.92548	3.5
79.05481	13.1
81.07047	25.0
83.08619	6.8
85.02910	6.1
86.09711	11.1
91.05464	25.4
93.07024	21.2
95.04961	6.0
95.08592	16.7
97.02898	4.6
105.07027	17.4
107.04939	7.3
107.08604	12.4
109.06490	4.2
115.05453	4.2
117.07050	17.0
119.08595	11.5
121.10149	9.7
128.08554	4.2
129.07008	8.9
131.08577	18.8
133.10107	6.9
143.08562	17.7
145.06487	4.2
145.10127	15.5
155.08519	6.1
157.10155	7.5
169.10162	7.6
171.11705	8.4
181.09946	4.7
183.11708	6.9
185.13216	5.3
187.11131	4.8
195.11658	5.6
199.11186	8.2
260.56656	4.7
325.21576	24.4
342.25052	5.0
343.22726	12.5
383.44717	5.8
417.26343	100.0
435.27280	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	6.0
60.63297	2.6
62.74965	2.3
63.42806	2.2
65.09014	2.1
66.92737	2.4
67.05495	67.8
69.01289	2.2
69.07056	7.6
73.06577	3.2
73.46876	3.4
79.05465	14.4
81.07048	81.1
83.08598	12.6
87.04451	3.3
89.06025	40.9
91.05469	15.5
93.07029	19.2
95.08598	76.5
97.06553	3.3
97.10174	9.4
105.07014	8.4
107.08620	14.4
107.90797	2.8
109.10149	43.7
111.08101	5.1
117.07056	3.1
119.08610	10.4
121.10141	20.6
123.11665	14.6
130.08684	8.6
131.08554	6.5
133.08600	31.1
133.10094	19.9
135.11664	17.2
137.09630	4.5
137.13268	6.3
145.10118	5.6
147.11719	4.1
149.13234	3.1
151.11203	9.9
159.11731	3.3
173.13194	6.0
177.11267	10.5
187.14859	3.0
191.17862	3.2
207.49985	3.6
215.17931	20.8
218.64565	3.3
220.28146	2.9
233.18974	23.9
251.20052	100.0
251.22606	5.5
257.56064	3.2
269.21222	15.0
299.13666	3.0
335.06564	3.9
371.22586	4.1
377.38110	3.3
415.25336	9.5
539.47626	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	614.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75630	2.7
56.00456	3.1
57.06804	5.0
57.07066	76.7
62.31804	3.0
69.07041	10.8
71.08617	63.7
73.06532	3.2
73.73643	3.4
85.10162	38.9
87.04462	8.9
89.06017	100.0
97.10142	3.4
99.11714	5.0
111.11698	3.6
115.63026	3.4
117.09112	8.4
120.58945	2.9
130.08646	20.5
133.08594	71.2
177.11197	24.1
221.13905	5.3
315.28815	7.4
327.75104	4.2
377.32190	4.8
415.25079	8.3
509.69174	3.7
597.45276	9.7
614.47980	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	615.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61387	3.7
58.49983	4.0
58.57968	3.5
62.52913	4.2
80.70369	4.1
82.64908	4.5
181.68567	5.1
200.00934	5.7
223.04025	5.7
248.70303	5.6
615.29297	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53214	14.1
52.54045	12.9
52.74062	15.0
56.96574	67.7
66.77280	17.5
68.19645	16.1
71.62448	15.3
94.22776	15.9
98.97556	87.2
112.99096	23.4
116.98646	48.5
131.00189	21.6
134.99654	27.2
140.00249	60.5
149.01242	42.1
154.01765	34.8
158.01363	48.6
158.99677	23.7
172.02911	37.0
177.00848	16.8
181.02908	24.2
183.96400	17.8
190.03992	18.8
194.26993	23.2
200.02298	92.7
223.07993	17.6
227.97133	20.0
250.48453	21.8
275.04367	20.3
316.07193	76.7
319.19623	33.6
334.08429	36.2
360.22067	100.0
379.21701	45.6
555.28448	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73434	1.1
54.92908	1.1
56.96555	8.2
67.59444	1.4
69.07058	1.3
91.22724	1.4
94.62498	2.0
97.99198	1.5
114.27809	1.5
159.32913	1.4
199.88127	1.4
291.16306	6.2
309.17328	38.4
327.18369	52.5
332.18921	15.8
345.19528	19.4
346.13959	1.4
350.19992	39.2
351.20425	1.9
368.21042	100.0
369.21469	3.6
494.54492	1.6
615.41034	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	615.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90071	10.9
54.12665	12.4
55.05495	33.3
57.07043	17.5
67.05486	100.0
69.07048	38.5
78.25999	12.9
79.05459	32.5
81.07049	81.3
83.08604	24.0
89.06025	49.0
91.05466	35.5
93.07063	34.7
95.08564	65.8
96.98015	15.0
97.10123	21.4
105.07049	20.1
107.08607	18.5
109.10136	32.0
119.08579	21.9
121.10157	22.0
133.08595	32.3
133.10080	23.9
135.11729	22.0
140.02892	13.0
337.27423	17.7
513.03149	17.1
615.49707	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
73.29550	8.8
88.16590	9.7
91.05466	10.5
96.32787	13.9
100.09181	8.7
133.02863	37.0
137.05971	83.6
147.04463	15.4
151.07599	9.3
159.08003	12.7
161.05884	10.7
166.14682	9.3
189.09183	10.0
243.10112	13.6
305.11786	10.5
367.15439	100.0
397.16391	74.5
454.62994	12.4
488.95853	11.9
630.69647	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	616.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	6.6
55.05497	8.6
58.99572	13.2
67.05504	24.5
69.03407	4.6
69.07057	7.0
70.02946	21.3
70.06566	4.0
74.00642	7.8
76.02224	53.6
76.04003	9.7
79.05477	11.6
81.07062	33.3
83.06059	6.8
83.08630	4.3
84.04494	18.9
86.99035	4.1
88.02219	6.1
91.05463	26.1
91.71630	5.2
93.07038	19.4
95.04982	5.7
95.08600	7.2
95.27131	3.9
97.01114	6.0
99.05558	5.3
100.02189	5.6
102.00163	7.5
105.07046	17.0
106.30471	4.7
107.04954	6.3
107.08599	18.8
109.06526	5.6
109.10165	25.1
115.77946	4.8
116.01698	18.1
116.03426	6.6
117.06987	6.3
119.08580	7.0
125.44749	5.3
130.04959	7.2
131.08554	4.9
132.92352	4.6
133.10103	24.2
135.08084	5.0
142.03181	9.3
144.01126	8.2
145.06079	100.0
151.11160	10.9
162.02132	26.7
179.04855	33.9
199.25674	4.9
211.51108	5.0
254.12254	5.4
273.18509	8.3
274.10660	5.9
291.19553	14.7
309.20761	7.4
311.71979	4.8
314.06729	4.9
340.41974	5.4
348.19894	6.7
366.20779	5.6
384.22186	9.5
391.21918	5.5
403.94678	5.2
451.22498	9.8
469.23718	29.4
471.71927	4.9
561.39624	6.4
616.28864	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	616.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.3
57.07067	40.7
59.99244	2.1
61.04574	2.2
61.66550	2.0
63.12685	2.4
64.79526	2.7
71.08624	32.9
73.06549	6.7
76.86008	1.9
83.08623	5.6
85.10167	30.0
86.72668	2.8
87.04454	6.9
89.06020	100.0
91.71033	3.9
94.67636	2.3
103.46443	2.1
110.44087	2.1
117.09114	6.3
130.08635	21.3
133.08591	48.1
135.89970	2.4
144.19287	2.7
167.33110	3.0
177.11229	19.7
221.13885	3.6
226.21634	8.9
229.21584	9.2
273.24319	7.0
290.57245	2.8
378.06058	2.9
424.84155	2.7
478.14798	3.1
509.96609	3.3
567.13470	2.9
599.43292	6.3
616.45850	3.1
618.65009	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	616.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26994	3.8
55.05501	29.5
57.03438	3.3
57.07066	8.9
59.88589	2.8
60.88921	2.8
63.20521	2.9
67.05495	71.8
69.07057	45.5
71.30898	3.5
74.54897	3.4
79.05489	17.9
81.07049	98.5
83.04980	3.9
83.08607	36.4
85.43709	3.6
91.05479	18.8
93.07033	31.0
95.04939	3.2
95.08596	100.0
97.06527	9.2
97.10156	32.6
105.07030	9.6
107.08602	21.5
109.10145	49.3
111.08089	6.6
111.11700	10.1
119.08607	18.4
121.10146	28.4
123.08057	7.4
123.11700	16.8
133.10114	26.6
135.11658	24.5
137.09624	8.6
137.13255	12.3
145.10075	4.6
147.11678	12.0
149.13286	6.9
151.11182	10.7
151.14835	5.4
153.12689	4.0
158.88219	4.6
159.11697	6.9
161.13237	6.8
169.12207	4.9
175.14813	3.9
179.14246	4.2
193.19717	3.6
215.17929	17.3
217.19484	14.7
217.89655	3.4
233.19058	13.5
235.20509	25.0
251.20052	82.9
253.21617	39.7
269.21170	6.8
271.22577	27.5
291.20990	4.1
292.13940	3.7
293.31879	3.8
485.39777	7.7
503.40714	11.8
608.46375	3.8
610.69299	3.8
616.43420	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	616.478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15120	3.5
54.07610	3.4
55.05499	20.0
57.07072	4.0
61.00521	3.9
61.97065	3.6
67.05498	80.9
68.04160	3.7
69.07057	23.7
73.17188	3.7
79.05474	26.6
81.06596	7.9
81.07049	100.0
83.08619	23.4
85.06535	4.2
89.06060	10.0
91.05465	27.6
93.07052	30.9
95.08604	78.4
97.06535	12.3
97.10167	13.1
105.07053	13.0
107.08580	27.3
109.10159	43.0
111.08073	9.0
117.07039	7.1
119.08599	13.7
121.10119	28.4
123.11722	11.6
131.08577	12.2
133.08624	4.9
133.10130	29.3
135.11691	26.8
145.10132	9.7
147.11717	7.9
149.13283	11.9
149.97076	3.8
151.11179	8.5
175.14870	4.4
205.70346	5.9
215.17952	15.7
233.19020	16.7
235.20593	9.1
251.20065	26.7
252.20395	5.2
363.85724	4.9
389.03738	4.8
405.23727	5.0
428.72928	5.0
467.38760	14.2
485.39746	49.6
503.40604	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	616.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49984	1.9
53.41340	1.9
55.05506	17.2
56.14497	2.2
57.03441	14.2
57.06802	2.8
57.07067	44.4
67.05496	55.6
69.07064	21.5
71.04977	3.4
71.08626	38.0
71.63132	2.1
77.95479	2.6
79.05488	13.6
81.07049	48.8
83.08618	19.3
83.63348	2.5
85.10185	21.4
89.06000	3.4
91.05478	12.6
91.71659	3.3
93.07040	21.0
95.08601	53.6
97.06547	3.6
97.10165	10.5
105.07035	4.8
107.08592	10.2
109.10153	25.0
111.08069	4.2
112.19238	2.6
119.08546	3.5
121.10117	14.3
123.11678	6.2
131.08595	4.7
133.10109	8.1
135.11691	6.7
149.13202	3.6
173.13231	3.1
193.63565	2.6
208.98109	2.7
251.20135	4.1
260.07785	2.8
260.10806	2.9
307.22632	10.3
313.27362	100.0
325.23709	29.6
343.24670	4.6
358.12119	3.7
379.07187	3.8
453.46237	2.7
474.64594	3.0
537.53357	3.0
545.45483	8.7
563.46564	54.1
581.47668	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	616.5293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	19.8
55.17865	9.3
57.34169	9.2
60.06480	9.5
60.34895	8.8
61.39905	9.0
67.05493	61.1
69.07059	26.9
74.23982	11.3
79.01278	9.0
79.05493	43.4
81.07050	95.3
91.05476	43.9
93.07037	59.2
95.08603	100.0
100.31876	13.0
105.07026	62.7
106.69579	11.1
107.08588	32.1
109.10157	43.2
117.07030	22.5
119.08582	45.4
121.10145	46.7
128.20007	12.9
131.08572	43.5
133.10133	32.8
135.11708	35.2
137.95615	16.7
145.10138	39.3
147.11650	25.0
161.13358	14.2
163.14886	18.8
178.99088	12.2
187.14809	12.6
246.08696	13.3
363.18390	16.4
631.32489	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.205
Annotation	Doliculide
Peak:m/z	Relative Intensity
50.09518	10.7
62.43323	14.1
69.56161	11.3
78.39806	13.0
105.76701	13.5
151.57921	14.0
152.36786	13.0
161.37114	13.8
167.42308	14.3
202.40416	14.9
388.02438	15.8
391.27060	17.1
406.00314	15.6
431.47906	15.8
617.20422	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34582	17.6
60.02426	17.2
62.77626	16.5
62.94446	16.0
71.63748	18.1
88.65549	20.5
103.05466	24.2
131.04994	24.9
137.06020	100.0
187.07605	24.2
189.09181	32.0
217.08786	28.0
292.49005	22.9
340.14053	25.5
433.16208	31.9
609.25037	29.6
617.24048	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	9.9
57.07054	38.6
59.99773	8.7
60.20373	8.2
62.53304	8.4
70.03226	8.8
71.87002	9.1
75.94935	11.0
79.05489	15.6
81.09815	11.7
83.04955	18.3
85.06548	21.9
87.93053	10.9
91.05464	19.5
91.40116	9.4
91.71579	15.2
93.07008	12.0
95.04957	12.7
103.05491	23.9
104.25564	12.2
107.04948	17.2
109.06503	11.7
115.05510	11.5
117.07023	20.6
131.04942	20.6
133.06442	13.1
137.05948	17.2
145.06488	29.1
147.04443	52.0
149.05957	31.9
161.05914	20.4
165.05513	11.9
177.05453	100.0
199.11104	17.9
225.73016	12.6
229.12199	16.7
247.13313	23.4
295.06161	12.7
322.11926	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24819	3.4
57.07057	17.7
61.02299	3.8
70.08528	3.7
79.05468	5.7
81.07069	5.3
83.04964	9.7
85.06525	8.3
89.03913	4.2
91.05473	9.3
93.07001	6.2
95.04965	11.8
103.05447	22.9
105.07022	7.1
106.04170	5.4
107.04964	5.9
115.05319	4.3
117.03403	4.3
117.06993	5.3
119.04951	4.6
121.06498	5.9
121.44630	4.6
131.04941	19.0
132.02094	5.5
133.06464	14.4
135.04327	7.1
137.06050	5.5
145.06502	5.6
147.04398	24.2
149.05959	18.2
159.07968	5.7
161.05986	17.0
162.06792	6.9
165.06984	4.7
177.05446	100.0
189.05447	14.2
193.04832	6.4
199.11198	4.9
215.03239	4.9
221.05884	6.9
229.12259	10.2
233.05794	5.3
236.04716	6.8
237.05461	7.0
249.05476	8.9
251.06950	6.8
263.07104	8.4
265.08624	5.6
279.06790	10.4
280.07199	14.6
281.08115	7.5
291.06586	6.7
293.08255	6.2
295.05994	23.4
304.07642	6.1
309.07803	5.2
310.08350	18.3
311.09143	10.4
315.26001	5.3
319.05637	5.4
323.09122	11.1
339.08536	9.1
351.08856	10.1
353.10104	9.9
362.07111	5.3
369.09875	14.9
617.12274	12.6
617.29535	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	617.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64778	0.9
60.76400	1.0
66.04839	1.0
75.69710	1.1
77.71706	1.2
79.53678	1.1
80.73212	1.4
85.37627	1.3
91.05481	1.5
94.01219	1.1
94.06570	3.0
96.08118	1.5
96.17486	1.1
107.07338	2.6
108.08121	3.8
110.09679	2.8
119.04926	1.5
120.08115	3.6
122.06049	1.9
122.09640	5.8
131.07321	7.0
134.09627	2.8
136.07605	1.6
138.09155	5.0
146.09659	9.1
147.04446	3.5
150.09138	12.9
159.06760	1.5
164.10745	1.2
174.09149	14.1
189.10313	1.3
192.10211	3.2
196.74016	1.3
200.09482	1.7
201.06577	2.2
202.07288	9.2
213.10222	1.8
217.09700	6.3
220.09673	9.9
233.09163	3.0
243.11517	1.4
257.09305	3.7
261.08694	100.0
281.83551	1.2
285.08710	4.6
287.10324	7.2
313.08118	5.7
315.09808	1.5
331.09113	5.6
361.13901	1.4
363.16949	1.8
398.17139	13.8
406.17609	7.1
434.17007	6.6
452.18027	7.6
468.18436	1.4
480.17526	16.4
589.26367	3.0
617.25916	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	617.2602
Annotation	3-Vinylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
67.05493	1.4
68.02567	0.9
76.77570	1.2
79.05499	2.0
80.05009	1.9
81.07038	1.9
91.05460	2.6
93.07022	5.7
94.06573	8.9
95.04948	1.1
95.07350	7.8
96.08121	13.9
97.06530	1.6
107.07349	1.8
108.08120	9.4
110.09673	28.0
120.08100	18.4
122.06033	5.2
122.09672	1.8
123.06775	1.6
124.07621	3.0
130.60432	1.4
136.07559	9.4
138.09132	100.0
147.04408	1.8
166.08662	3.4
229.09686	2.0
231.11243	1.3
255.15073	1.8
257.09167	8.2
264.47305	1.2
273.30475	1.2
299.10257	2.5
313.11710	2.9
317.11392	8.2
329.11383	6.8
330.12143	2.5
452.18121	16.0
474.51859	1.4
571.25189	5.0
589.26440	2.1
599.25140	1.8
617.26611	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	617.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14108	38.4
59.53351	39.2
61.99979	39.2
69.66257	42.5
81.07045	98.7
91.71567	100.0
225.38948	58.6
372.15179	64.0
511.81323	57.5
617.37860	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	25.5
56.96778	3.6
57.51117	3.8
63.67783	3.5
70.06593	4.9
75.88248	3.6
83.97623	8.0
84.08114	5.7
86.06058	8.5
97.14213	4.4
128.00255	5.9
146.01257	25.3
164.02312	44.0
169.02876	19.5
174.00752	12.7
182.03354	11.1
187.03894	60.2
197.02423	9.9
200.97374	5.1
205.05031	14.6
210.05499	28.1
218.07048	16.5
228.05145	8.8
236.07953	6.0
238.04993	5.6
241.08629	16.8
242.03438	5.4
251.06889	23.0
258.06659	12.8
259.09619	10.9
269.08066	5.2
271.23300	4.6
276.07483	26.0
281.08069	9.2
299.09094	100.0
317.10196	5.1
337.39032	4.8
399.09747	12.7
488.14667	6.3
570.18054	6.7
618.20782	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	4.3
60.08154	6.3
64.78339	0.6
69.52526	0.7
71.07359	3.5
72.08138	0.7
86.09697	15.0
91.54897	0.8
91.71645	1.6
91.79514	0.8
102.92586	0.9
104.10734	100.0
130.72939	0.9
143.33350	0.8
145.21722	0.8
172.95306	1.4
195.96860	2.1
198.96796	5.3
203.97305	1.4
216.97850	2.6
218.98499	1.1
221.98396	4.9
239.99408	2.3
244.99976	3.7
263.01117	1.6
319.19345	1.3
337.20447	3.8
360.22089	7.6
401.24863	1.3
473.18979	1.0
496.21384	1.1
502.25851	3.7
558.28625	7.6
618.30847	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	618.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05279	1.6
53.71659	1.5
55.05471	1.9
56.96547	3.1
60.08148	4.5
60.44186	1.5
60.63394	1.8
71.07361	6.0
76.12831	1.7
84.18483	1.9
86.09698	25.3
89.51948	1.9
95.08627	2.1
102.53922	2.4
104.10733	100.0
124.99070	2.1
198.96802	5.2
216.97867	5.3
221.98352	5.4
239.99420	2.7
244.99983	4.3
267.50195	2.4
308.35480	2.2
330.17831	2.6
337.20282	3.7
358.72433	2.9
360.22061	12.9
412.38849	3.1
419.97977	2.7
502.25748	5.9
558.28790	12.9
618.30505	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	619.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.0
53.94051	1.0
55.01859	1.8
57.07065	5.1
71.01363	1.4
74.03954	1.1
79.05473	2.9
80.45470	1.3
81.03396	1.9
81.07066	1.2
83.04961	2.0
85.06565	2.6
89.03905	3.0
90.96358	1.3
91.05459	6.7
93.07024	2.2
95.04967	7.3
95.08607	1.7
97.02913	2.5
103.05458	24.7
105.07012	2.8
106.04182	10.6
107.04925	4.8
115.05467	3.1
117.03380	7.1
117.07018	2.8
119.04923	2.5
121.06512	7.8
125.06016	1.9
129.07018	1.9
131.04921	15.9
131.08568	3.7
133.06502	3.7
134.03629	2.4
135.04460	3.1
137.05934	2.8
141.06966	1.9
145.02736	1.9
145.06509	4.0
147.04399	2.5
148.05055	1.5
149.02342	2.3
149.05974	19.0
151.07553	2.6
153.05533	1.8
159.08099	3.4
161.05959	6.2
162.06662	2.2
163.03883	1.7
163.07574	3.4
165.07124	1.4
167.07043	2.0
170.58757	1.4
175.07515	9.0
177.05458	100.0
179.07025	3.0
185.06033	1.9
187.07590	1.5
189.05440	7.1
189.09116	2.4
195.06624	2.0
199.11217	2.3
203.06743	1.6
219.06543	6.1
219.10124	7.5
231.13742	1.8
245.11786	6.0
247.13469	2.4
260.48657	1.5
279.10110	1.6
281.07761	1.3
344.30734	1.5
537.99115	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	619.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72392	3.1
57.07070	28.7
67.05488	4.2
79.05476	10.4
81.07034	8.8
83.05009	5.4
85.06526	15.2
89.03914	3.2
91.05489	19.5
93.07078	3.8
95.04984	8.6
95.08599	7.2
97.02879	16.4
103.05450	24.9
105.07041	7.6
106.04171	13.8
107.04955	12.2
107.08586	10.3
109.06509	9.6
115.05469	6.6
117.03366	5.5
117.07057	7.4
119.04984	5.6
119.08598	6.2
121.06520	6.2
130.70932	3.4
131.04924	13.9
133.02835	3.8
133.06525	6.1
134.03722	3.7
135.04440	8.8
135.08049	9.9
137.05972	9.9
139.07570	9.0
145.06480	17.0
147.04413	8.6
147.08118	4.6
149.05992	31.9
153.05473	6.7
159.08025	4.6
161.05975	10.9
163.03891	4.5
163.07530	6.5
167.07133	4.5
176.05798	3.4
176.78320	3.9
177.05460	100.0
178.06021	3.9
179.07021	5.8
183.70705	3.3
187.07613	3.7
189.05403	6.4
201.12822	4.2
203.14351	7.1
210.06804	3.8
219.06590	15.3
219.10266	3.7
219.13779	7.9
229.12360	3.8
231.13831	3.9
247.13321	15.4
249.14876	12.2
281.07916	5.7
401.29224	4.7
402.97870	4.2
406.55011	4.2
617.92853	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	619.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13062	3.8
56.86070	4.0
65.03876	3.7
74.17347	4.7
78.24579	5.3
90.30535	4.0
91.05454	9.5
94.04133	4.6
94.58805	4.3
96.55270	4.6
96.67854	5.0
115.05508	5.3
122.03616	6.5
129.06982	12.6
131.08557	16.8
137.05991	92.1
141.06917	10.8
157.06500	9.9
159.08107	17.0
174.06807	20.1
175.07556	9.4
186.06676	7.1
189.09097	29.4
201.09100	14.7
219.10139	100.0
250.03430	5.3
260.08679	7.5
275.78098	5.3
277.08588	7.1
312.11090	6.0
373.14465	5.9
435.17865	49.3
541.21912	16.1
559.23138	30.5
619.25232	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	619.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.0
56.29763	3.3
56.88927	3.0
57.07058	13.1
58.44299	3.4
64.90150	3.7
65.31300	3.1
67.05506	4.9
79.05491	9.2
81.03423	8.2
81.07046	9.1
83.04973	6.1
84.00145	4.1
85.06536	10.0
85.62309	3.8
90.80634	3.8
91.05486	9.8
93.07008	4.9
95.04964	14.2
95.08616	4.0
98.98219	3.7
103.05474	7.1
105.07050	5.2
107.04951	11.0
109.06532	9.0
113.15640	4.0
114.19337	4.1
115.05463	8.8
117.07028	7.6
129.07019	12.6
131.04926	5.9
131.08569	12.1
131.20218	3.8
135.04405	100.0
137.05959	11.5
143.04924	8.0
144.05692	4.8
145.06502	7.4
149.02335	8.3
151.07532	6.5
153.05472	10.7
157.06593	8.4
159.08055	7.9
161.05995	8.8
173.06018	10.4
175.07587	12.4
177.05438	6.4
185.06026	12.9
187.07518	7.9
199.07513	5.1
199.11179	4.9
203.07057	7.3
227.10782	5.1
229.12265	9.5
231.13855	11.0
235.07578	5.0
245.11754	15.1
249.19949	4.4
283.01917	8.2
286.18530	4.5
353.10284	4.6
557.53027	5.1
601.24359	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	619.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
84.74879	1.2
94.06570	2.2
100.98796	1.0
106.06619	1.7
107.07335	13.9
107.32675	1.2
108.08135	1.6
120.13345	1.2
122.06048	4.0
122.09666	100.0
123.70097	1.2
135.59422	1.5
136.07608	5.5
150.09142	14.4
152.49255	1.4
164.05788	1.4
164.06984	7.1
176.10736	2.6
177.06627	3.1
181.09727	3.8
189.76910	1.4
191.08131	4.4
192.58005	1.2
196.42091	1.4
202.08728	3.0
230.08180	1.9
233.91772	1.4
261.08768	4.7
307.12787	3.0
398.17218	3.2
409.08762	1.5
436.18607	1.5
438.20349	2.8
439.35574	1.4
454.19452	1.9
464.18417	2.9
470.19193	5.4
573.26331	1.8
601.26410	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	619.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01275	4.2
59.45835	4.3
70.30315	4.3
80.00484	4.6
156.78461	4.9
204.06113	5.2
210.28284	5.3
225.10249	11.0
241.13438	6.2
284.11563	5.8
285.12311	100.0
319.16107	5.7
376.12869	5.9
378.18146	8.9
383.41348	6.9
406.17612	41.7
408.18979	33.9
452.18304	47.1
482.18936	33.4
589.27332	7.3
619.27753	54.3
628.85504	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	619.276
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	1.2
85.16481	1.1
86.02984	1.2
91.71044	1.4
95.44003	1.0
107.07308	1.6
122.09669	11.2
124.11250	2.1
129.00993	1.3
148.11198	4.6
150.09058	1.4
176.10783	1.6
186.09187	1.6
200.09431	1.4
201.06700	1.5
202.07362	11.7
204.10178	15.2
213.10228	1.6
215.08270	1.4
217.09712	8.9
220.21814	1.1
233.09245	5.1
235.10709	4.4
243.11491	1.2
257.09198	14.2
261.08679	100.0
262.09106	2.2
285.08722	16.2
287.10257	3.3
305.10980	1.3
313.08148	12.7
326.64377	1.4
331.09204	15.6
390.18192	6.1
398.17093	15.5
415.88828	1.2
418.17545	6.9
436.18787	2.1
464.18158	21.0
468.17609	8.8
573.26691	3.9
601.26440	29.2
619.27734	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39756	0.9
61.03859	1.0
61.63461	1.0
76.29413	1.1
80.05008	1.2
88.86398	1.1
91.71043	1.4
94.06553	2.0
105.07015	1.4
106.06570	1.3
107.07323	13.5
122.06039	4.7
122.09663	100.0
134.44525	1.2
136.07590	5.3
148.11237	1.9
150.09145	13.7
164.07048	7.2
176.10728	3.5
177.06622	2.4
181.09720	5.3
188.06932	1.8
191.08177	5.5
202.08676	3.9
204.10216	4.5
217.09605	2.4
230.08167	3.3
233.09251	1.8
244.09737	1.6
261.08670	25.7
272.09161	1.9
287.10248	2.9
305.11224	1.9
307.12982	3.4
321.14459	1.6
390.18225	2.3
398.17105	4.8
418.17545	4.0
436.18387	2.0
454.19339	2.4
464.18329	4.1
470.19153	4.3
573.26898	2.1
591.28094	2.0
601.26349	4.7
619.27728	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	619.309
Annotation	YM 47525
Peak:m/z	Relative Intensity
55.12878	2.6
56.95027	2.3
61.74762	2.5
67.05476	3.2
81.07024	3.2
85.25967	2.7
148.54344	2.8
289.98331	3.4
457.25766	4.4
571.35559	3.7
619.30829	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89789	2.1
62.60535	2.4
67.05494	3.1
75.22872	2.3
76.97117	2.2
81.07043	2.8
95.08563	2.3
98.09663	2.4
129.55527	2.7
131.59418	2.8
183.77249	2.6
291.19327	10.1
297.33679	2.9
329.60922	2.8
351.21494	8.0
428.03976	2.9
501.10110	3.3
553.60626	3.0
555.67877	3.0
559.39624	5.2
567.59662	3.1
619.42023	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49086	2.1
74.17772	2.5
77.25533	2.1
77.68649	2.2
81.07071	2.4
83.48085	2.3
110.28717	2.3
115.02296	2.4
115.44798	2.0
115.76892	2.2
145.42674	2.3
187.50934	3.2
194.63632	2.4
208.05627	2.3
291.19394	10.8
312.42603	2.4
314.64761	2.8
337.48938	2.8
351.21637	6.0
619.41791	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89732	2.7
65.78962	3.3
66.71394	3.1
83.19590	3.3
133.71231	3.3
175.85468	4.2
194.94577	3.7
278.06070	4.5
485.04425	5.0
541.54352	4.3
568.87103	5.5
619.41876	100.0
620.42731	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	619.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74685	3.4
60.23703	3.7
63.84414	3.8
64.47321	4.2
77.70744	4.8
80.40887	5.1
80.55965	4.1
87.04467	8.8
90.87846	5.5
91.71663	5.4
108.22794	4.8
110.84088	4.9
199.61940	4.9
216.67001	5.3
262.84195	6.2
413.52603	5.5
470.75037	5.8
619.41864	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07053	1.4
59.57673	1.2
60.32340	1.7
62.12732	1.4
62.23191	1.4
84.16072	1.3
87.04453	2.0
91.05479	1.7
124.26010	1.4
145.64189	1.7
151.23055	1.6
167.03421	4.0
181.58334	1.8
195.44234	1.7
203.90012	1.7
218.23924	1.6
243.45453	1.9
280.36801	1.8
310.83017	1.8
339.33835	1.8
591.27692	2.2
619.43860	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08281	2.1
55.05506	16.6
57.52282	2.1
67.05489	13.8
69.06713	2.2
69.07066	10.8
69.54134	2.2
71.28468	2.2
72.00714	2.1
74.76020	2.3
75.53449	2.2
77.32415	2.1
79.05465	2.9
81.07043	18.5
82.06570	5.2
83.04961	3.1
83.08620	16.4
84.08118	3.0
91.05490	4.0
91.71072	4.4
93.07038	7.0
94.75650	2.3
95.08604	14.0
100.07632	4.7
100.11249	58.0
105.07050	4.1
107.08624	3.5
109.06509	3.9
109.10153	6.0
110.05979	3.0
111.04462	8.1
121.10197	3.5
122.09682	4.8
127.08741	3.0
128.07088	3.5
147.11636	3.5
149.13293	4.6
152.61499	2.6
161.13330	4.9
182.15379	18.0
209.16487	13.8
210.14983	12.6
215.33246	2.5
226.19070	4.4
231.21143	3.4
262.37930	2.7
266.24789	24.9
285.48627	3.3
310.85147	2.9
375.30237	7.3
376.28870	3.8
492.41995	4.9
601.46893	10.2
619.47913	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77213	5.2
53.03936	9.7
53.52131	6.0
55.01854	18.8
55.05497	10.2
57.03387	6.7
57.07072	5.7
59.72287	5.3
63.17685	5.0
67.05495	58.9
69.03416	48.2
69.07056	10.9
71.04979	10.9
73.01195	7.3
73.02905	12.1
79.05501	30.4
79.42493	6.3
81.03413	45.8
81.07052	64.4
85.02900	22.5
91.05485	24.2
93.07046	35.9
95.04961	6.1
95.08611	46.1
96.43008	6.8
97.02892	36.9
99.04435	79.5
101.02356	6.0
104.30572	7.6
105.06995	12.6
107.08574	24.6
109.02865	48.5
109.10149	29.2
110.44753	6.7
111.04455	10.3
119.08617	11.7
121.10119	22.9
123.11700	10.6
127.03909	100.0
131.08524	7.5
133.10162	11.9
135.11682	8.4
145.04936	10.5
145.10191	9.4
146.35812	6.2
147.11667	7.1
149.09685	6.1
149.13266	6.2
151.95876	6.2
173.13312	10.9
245.47606	7.0
261.22189	16.0
356.85263	7.5
405.26273	10.4
423.27505	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	620.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	9.6
57.13993	7.4
57.26225	7.8
67.05498	50.2
67.15126	7.4
69.07064	12.5
74.24343	9.0
74.81364	8.8
79.05483	26.2
81.03421	11.4
81.07050	56.5
87.55893	9.1
91.05466	15.7
93.07028	38.7
95.08600	45.5
97.02892	100.0
99.04446	26.7
107.08564	18.6
109.02863	19.2
109.10135	17.5
119.08616	19.5
121.10162	27.7
127.03889	14.1
131.08536	11.7
145.04982	15.2
159.43280	10.4
243.21294	10.5
261.22095	23.5
273.92273	10.1
409.08798	12.0
423.27240	31.8
497.38333	12.3
548.81256	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	620.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84230	0.6
59.04992	100.0
71.04980	2.5
71.28619	0.8
73.02890	3.7
73.04751	3.6
73.06545	1.0
87.04449	1.6
89.06029	2.6
91.05782	8.1
95.01616	1.1
100.07596	2.9
103.07572	58.7
103.69947	0.7
114.07361	8.7
115.07568	2.3
117.09153	0.7
118.03216	2.4
128.14511	0.8
133.08582	2.4
135.87968	0.8
147.04730	3.6
147.10141	16.1
158.07745	0.7
159.10194	3.1
167.05553	2.2
181.07109	3.0
191.07242	2.0
207.08669	3.8
221.08411	1.9
235.10013	1.2
239.09467	13.1
251.11270	5.2
263.11334	2.4
312.85507	1.0
380.46317	0.9
450.17200	1.0
512.21759	1.0
590.95880	0.8
596.26929	0.9
620.36523	3.5
631.10388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06625	1.9
72.14404	1.8
74.44513	2.1
83.76884	2.3
91.71059	4.5
103.73678	2.4
118.34146	2.1
137.06009	5.1
159.04231	5.4
174.17455	2.0
187.76672	2.3
383.16315	2.5
474.42294	2.3
621.22974	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08900	2.4
60.91014	2.7
72.10622	3.3
77.93884	2.6
100.87368	2.6
137.05983	9.3
159.04231	6.7
172.23660	3.1
211.07484	3.4
213.20033	3.3
223.57976	3.9
621.22949	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13474	6.1
51.18756	6.3
53.86502	7.0
55.56164	6.5
57.07064	66.2
63.46170	7.1
67.05495	14.1
79.05482	14.0
81.07060	11.4
83.04975	12.2
85.06527	22.4
85.42273	6.9
87.28992	7.2
91.05460	40.7
93.07007	20.0
93.29088	7.1
95.08622	10.8
97.02898	15.9
103.05479	28.9
105.07009	20.0
107.04926	10.2
109.06481	10.5
115.05453	8.9
117.06995	8.7
119.08579	14.2
121.06513	8.9
129.06990	15.2
131.04951	22.0
131.08516	20.3
133.06461	11.5
137.06000	31.5
137.09642	12.8
147.08061	10.4
149.05988	27.3
153.05444	17.5
161.05959	18.6
167.03430	8.2
177.05437	100.0
178.06113	8.5
184.69611	8.5
191.07129	10.2
203.14368	18.3
215.14304	9.3
231.13951	8.8
249.14819	13.6
269.22324	9.5
308.23044	8.7
349.63123	8.5
478.64291	10.4
597.79303	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	621.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10270	11.0
53.68892	8.2
54.12906	9.4
57.07065	89.6
65.49850	9.3
66.83497	10.0
79.05479	35.8
81.07058	20.4
85.06528	52.4
91.05460	37.1
95.04958	22.2
97.02883	48.1
101.65067	12.2
103.05415	24.8
105.07026	33.8
106.04174	22.4
109.08932	12.4
117.07018	15.8
119.08603	22.7
129.06970	19.9
131.04901	27.7
133.06480	12.2
135.04385	19.8
137.05960	32.1
145.06493	15.1
147.08081	23.3
149.05997	52.3
177.05460	100.0
203.14302	33.2
221.15372	19.4
231.13869	28.6
247.01578	13.6
249.14799	84.8
603.25970	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	621.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10629	1.9
53.68106	2.1
54.39769	2.0
54.65244	1.9
58.29898	2.5
59.72462	2.4
65.46631	2.2
73.55833	2.1
74.59187	2.0
75.90227	2.3
138.64946	2.4
141.59174	2.5
143.51967	2.6
152.44548	2.8
177.99278	2.5
314.89053	2.7
360.17392	3.3
376.66208	3.1
403.19449	5.5
419.22333	8.0
431.18600	8.0
433.20230	4.8
445.20245	5.7
446.20935	6.1
447.21768	12.1
473.59955	3.2
474.20465	9.0
475.21216	8.1
487.21075	5.1
533.25726	16.2
561.24988	21.8
621.27008	100.0
622.27393	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2703
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.50752	4.5
60.21301	4.4
78.47673	5.3
91.70986	8.6
102.06113	6.2
110.68276	5.3
112.62428	5.8
115.23653	5.5
128.81293	6.4
168.26569	5.7
419.22354	14.4
445.20224	8.6
446.21323	8.6
447.21771	14.3
474.20770	10.3
475.21115	17.3
561.24982	76.0
593.28369	10.4
621.27063	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48958	1.5
83.05769	1.7
87.42631	2.0
124.07593	2.3
137.68999	1.8
138.09143	2.9
192.76472	2.0
217.27246	2.1
225.10265	5.1
226.10809	7.6
227.11218	6.0
241.13402	5.7
242.13635	4.9
245.31963	1.9
277.48282	2.1
284.11575	2.1
285.12302	52.6
285.15274	3.9
286.12637	58.0
287.12872	32.0
347.16382	2.5
377.13177	3.3
378.17908	5.9
379.19165	4.1
380.19144	5.5
391.14969	4.4
392.15417	3.7
393.15955	3.1
406.17569	26.0
407.17935	22.3
408.18576	27.6
409.19531	15.3
410.19818	15.7
438.65747	2.3
452.18274	19.1
453.18298	21.7
454.18716	28.9
482.19125	6.1
483.19507	15.8
484.19714	24.6
591.27631	18.6
620.27997	13.7
621.28400	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14312	0.6
51.57770	0.6
56.22465	0.6
57.37545	1.2
60.20766	0.8
62.76641	1.1
67.05493	1.7
81.45871	0.8
83.18347	0.7
85.84462	0.7
90.94540	0.7
91.05489	1.7
93.07044	1.5
94.06547	1.3
95.31122	0.7
110.09692	0.9
120.08113	2.6
121.10149	1.0
122.06036	2.2
122.09661	1.1
123.06821	5.0
123.08056	2.9
124.07584	2.9
136.11232	1.0
136.92334	0.8
138.09134	100.0
164.10693	7.0
174.09235	0.9
183.09195	1.0
185.07095	4.9
185.10693	0.9
186.07899	2.4
187.08534	1.0
192.10208	2.7
199.08684	1.8
200.09442	2.5
201.10226	3.9
204.10185	1.0
211.08714	4.4
212.09384	3.7
213.10353	1.0
215.11818	3.4
225.10210	1.4
227.11746	5.0
244.08441	6.4
245.09186	42.5
256.08411	1.3
257.09143	2.7
259.10712	8.1
261.08871	1.6
262.09521	2.5
269.09222	1.8
271.07736	1.7
271.10742	34.3
273.12268	6.5
280.08765	0.9
284.11557	2.4
285.12433	4.0
287.10269	3.4
297.08768	1.3
299.10257	6.3
315.09702	41.5
316.10168	1.4
317.11273	21.1
408.19104	1.7
418.17590	2.5
436.18732	13.0
439.18790	1.1
454.19699	80.3
455.19849	2.0
456.51581	1.0
484.20764	7.7
511.00452	1.0
573.26941	2.5
591.28082	50.2
592.18567	0.8
592.28271	2.1
621.29028	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	621.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95854	1.2
93.79091	1.5
120.08133	4.4
122.06036	1.6
122.09644	1.6
123.06812	5.1
123.08038	2.3
124.07595	3.4
138.09135	100.0
150.90393	1.5
157.86623	1.6
164.10725	6.2
185.07094	6.1
186.07825	1.9
199.69125	1.4
200.09517	2.7
201.10234	5.0
204.10297	2.4
205.40063	1.7
211.08702	3.9
212.09433	4.0
215.11798	3.7
225.10364	2.3
227.11861	4.2
244.08434	4.9
245.09167	42.2
257.09253	2.5
259.10849	7.5
269.09497	1.8
271.10764	33.1
273.12396	6.9
275.40308	1.6
284.11435	2.4
285.12341	3.2
287.10291	1.9
299.10217	9.1
315.09735	44.0
316.10156	1.8
317.11270	21.4
436.18558	13.0
454.19711	89.8
484.21133	7.0
573.26935	1.7
584.21582	2.0
591.28058	56.5
621.28979	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20866	2.4
55.05499	4.3
67.05489	15.3
69.01498	2.7
69.07041	4.9
71.57895	2.8
73.76110	2.6
79.05487	7.4
81.07039	12.9
83.08615	4.2
91.05464	10.3
93.07049	6.2
95.08598	14.1
96.67156	2.8
99.02264	2.7
100.79956	2.6
106.06571	3.3
107.08580	3.9
109.10147	3.1
118.06533	3.3
119.04932	28.0
130.06528	11.8
132.08015	6.8
143.07278	6.3
144.08080	20.5
146.05952	19.6
147.04388	100.0
154.06581	3.8
156.08092	12.4
157.08885	5.1
158.08405	6.2
159.09161	4.1
165.05457	12.3
167.07353	7.1
168.08090	21.4
170.05965	4.9
170.09625	4.7
171.09195	4.0
180.08041	9.6
182.09636	14.0
188.07033	8.9
194.09761	5.3
196.07541	4.8
208.07634	9.4
217.09822	6.4
222.09203	5.1
362.24731	5.9
366.27979	7.9
378.28098	6.3
395.30634	6.9
404.25797	23.9
420.33252	3.8
422.26855	44.1
439.29437	48.0
457.30365	6.4
557.93030	4.1
586.31500	7.5
603.33972	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	621.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	6.9
62.21996	4.5
62.45331	4.8
79.50275	6.2
81.40480	4.9
85.90500	5.3
91.05463	6.4
91.71757	5.4
97.89172	6.2
99.67353	5.5
110.17928	5.4
120.06226	5.4
137.14755	6.2
163.37276	5.7
163.38870	6.9
199.07518	6.4
397.14810	8.2
621.41797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94965	2.7
57.42333	2.0
57.71364	2.4
74.22845	2.4
90.03476	2.4
100.79262	2.6
100.80035	2.7
102.37104	2.6
104.40496	2.4
137.70848	2.6
155.22530	2.7
183.04466	2.6
255.25154	3.2
291.19373	12.0
293.20859	4.7
351.21567	5.3
536.21436	3.5
561.41339	8.4
621.43378	100.0
622.43469	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	621.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14925	2.4
57.63441	2.5
61.84909	2.5
64.69442	2.9
70.70473	2.7
83.82293	3.1
152.63800	3.4
191.00868	3.4
332.12085	3.5
458.43225	4.3
561.41052	12.6
574.02277	4.0
621.43323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	7.2
56.94790	1.4
57.07063	12.3
58.58142	1.3
60.45975	1.5
69.07049	6.6
71.08624	3.0
72.04498	7.2
78.52801	1.5
79.05492	2.6
81.07045	4.0
83.08595	3.7
90.43659	1.5
91.05488	3.9
91.48486	1.7
93.07027	2.4
95.08611	5.4
117.06997	3.3
133.06514	2.1
145.06447	2.4
166.97629	1.9
173.05997	3.6
195.08113	2.7
197.06038	5.0
198.06700	3.2
210.06764	2.0
211.07515	15.3
225.05447	2.4
225.09093	2.3
235.07478	2.8
237.05486	3.7
237.09056	2.6
239.06955	13.1
251.03392	4.5
253.05046	8.4
253.08507	4.0
263.96732	2.0
265.04977	2.4
265.08530	3.8
267.06531	5.7
267.91125	2.1
269.04468	2.1
295.09726	2.5
295.39758	2.3
310.31027	9.2
310.65335	2.3
312.32718	2.3
407.25589	2.8
421.23264	4.4
435.25311	2.7
439.24728	3.9
447.22214	3.0
474.20428	3.3
475.21564	2.8
504.36996	2.2
533.25378	3.4
535.45026	98.2
561.25092	5.2
585.43158	4.4
603.44037	100.0
604.44208	2.8
621.27051	26.1
621.44525	13.3
622.26990	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	621.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75811	1.3
52.13333	1.7
53.24988	1.5
54.04107	1.7
55.05488	1.6
57.07063	6.0
57.33669	1.6
67.05493	2.4
69.07067	2.3
71.08613	3.8
81.07072	2.2
85.10150	1.9
86.02599	2.6
95.08615	4.4
121.82246	1.7
166.85815	1.9
216.26804	2.5
286.33527	2.3
309.20419	11.4
330.67157	2.6
365.22556	3.6
367.09940	2.5
538.66003	2.7
561.25085	5.8
603.44128	5.0
621.26990	14.2
621.47064	100.0
622.48065	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	621.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20529	2.5
50.98731	2.4
57.30754	2.8
63.20959	2.7
128.24539	3.2
131.27168	3.3
171.22119	3.4
208.79539	3.5
218.37434	3.9
315.82770	4.0
540.25110	4.0
610.19269	5.3
621.39716	8.5
621.48547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25152	2.3
55.01874	2.1
58.54453	2.1
62.59119	2.2
65.03921	2.9
69.03429	3.4
85.02881	15.7
90.59695	2.5
95.04993	3.3
95.82803	2.6
97.02883	5.5
106.77836	2.2
108.48668	2.5
109.02867	5.7
110.03680	3.0
111.04453	3.6
114.15589	2.6
118.38641	2.5
122.03676	3.7
123.04460	7.7
125.05985	12.2
127.83827	2.3
131.99271	2.7
133.02892	4.9
135.04451	3.3
137.05969	49.9
138.43452	2.4
139.03900	41.9
151.03894	100.0
151.05037	6.0
163.03893	13.0
169.04987	6.1
181.05006	3.6
226.09737	2.9
244.55333	2.6
275.09146	35.4
301.07184	5.3
319.08102	42.6
330.98703	3.2
367.58786	2.9
425.12515	3.4
443.13184	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	622.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18615	8.7
53.75494	7.9
56.74170	7.3
67.95457	8.5
81.03390	14.2
81.07027	21.1
91.05453	15.1
97.02849	14.3
105.06967	18.8
109.06439	10.4
116.07069	9.4
117.07021	9.2
131.04953	8.7
135.08041	49.9
137.05945	100.0
145.06448	11.1
151.03841	10.3
153.05458	19.7
158.00558	10.4
175.07549	19.7
187.07576	9.4
191.07111	15.7
201.64635	10.6
205.08586	20.1
231.13754	22.3
240.22813	9.3
313.44034	12.3
373.12958	24.6
536.10547	11.3
546.09705	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	622.301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09305	6.8
57.07056	8.4
59.43167	5.5
65.03917	5.3
81.03407	12.0
83.14053	5.6
85.06521	5.4
90.98978	5.4
97.02856	7.6
100.80530	5.9
105.07014	11.8
115.05440	7.7
129.06967	8.1
134.44862	7.1
135.08040	51.2
137.05977	100.0
143.04878	6.9
145.06506	11.7
147.08011	13.2
149.02354	49.1
150.02698	12.0
151.03893	8.4
153.05531	12.6
173.05994	10.8
175.07520	18.1
187.07506	11.0
191.06998	8.3
193.05066	14.7
203.07072	10.7
205.08595	25.5
224.68372	7.0
226.07297	6.9
231.13965	10.3
233.15448	11.6
240.47945	6.8
306.44833	8.0
373.12784	18.8
395.25848	8.3
515.40955	8.5
622.16150	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	622.301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64420	4.2
55.01868	5.7
55.05482	4.6
55.66045	4.7
55.88396	4.3
55.91292	4.8
57.07058	18.7
69.53604	4.9
81.03422	17.2
81.07027	17.1
85.06537	11.9
91.05486	6.8
93.07016	9.3
97.02889	15.8
103.05487	7.1
105.07001	14.3
107.50002	5.2
109.06557	14.1
117.06999	7.1
119.08582	9.6
128.06229	7.1
131.04936	12.6
135.08055	73.9
137.05981	100.0
143.04939	6.8
145.06494	12.2
147.08057	12.1
151.03922	12.3
153.05527	16.5
167.03352	9.8
173.06001	22.0
175.07605	19.2
177.05496	7.5
187.07571	13.1
191.07033	19.6
203.06966	8.6
205.08617	17.8
231.13786	24.0
233.15422	11.4
247.13235	14.2
313.10434	6.3
323.86816	6.4
373.12814	9.8
376.43793	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	622.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.5
55.01854	28.4
55.05495	13.9
57.07056	8.8
67.05486	42.9
69.03422	43.4
69.07040	20.2
71.04977	16.8
73.02898	11.1
78.08433	6.1
79.05448	10.4
81.03416	54.5
81.07047	58.2
82.88853	6.6
83.08592	10.6
85.02884	14.7
85.06544	9.2
86.43893	7.0
91.05473	7.8
93.05931	7.1
93.07017	20.5
93.89642	5.8
95.08598	40.2
97.02880	42.2
99.04440	72.3
99.61313	6.0
105.07042	12.5
109.02862	31.2
109.10145	20.7
109.93242	7.9
111.04423	14.1
127.03908	100.0
145.04970	24.7
205.69617	7.1
245.22664	9.6
261.22253	8.0
263.23801	18.9
387.37851	7.3
402.62561	7.3
407.27814	15.9
425.28848	23.5
562.81433	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	622.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81287	1.7
59.38519	1.9
60.47852	1.6
79.38517	2.4
83.38377	2.2
91.71038	2.2
93.07029	6.6
95.05035	1.9
103.05463	3.3
121.06504	100.0
139.98070	2.7
159.01686	2.3
166.12257	89.9
166.13631	4.6
180.55865	2.4
201.61049	2.3
231.00977	2.4
277.74991	2.8
354.29483	2.5
550.63806	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	623.285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07049	34.8
64.37826	11.6
67.19128	12.1
68.19259	12.3
79.05466	32.2
81.07019	17.6
87.20482	12.4
91.05471	41.4
93.07052	25.5
95.04942	32.2
95.08591	22.5
103.05448	17.9
106.04173	24.6
107.04940	20.2
112.59463	10.8
119.04961	15.2
131.08559	21.9
135.04390	21.2
137.05963	18.6
137.09628	21.8
149.05983	23.2
156.95024	11.5
167.07060	18.3
169.97438	13.0
177.05444	100.0
205.15904	25.7
215.14351	29.4
233.15297	24.4
246.45497	13.0
331.85333	17.6
507.35071	12.5
511.07712	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	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20144	2.1
52.62733	2.4
56.46831	2.3
57.02297	2.1
59.43008	2.0
74.14958	2.2
81.07067	2.6
85.94193	2.7
122.90217	2.9
167.09749	3.1
209.10828	5.6
223.12422	5.3
224.13158	5.6
237.13974	4.9
243.74640	2.9
347.55032	3.8
350.13812	3.6
476.21924	3.7
477.22397	4.5
526.93915	3.6
563.26666	28.2
591.25690	4.9
623.28613	100.0
623.44299	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54132	4.0
53.64556	4.9
54.16368	4.5
58.86134	4.4
64.59937	4.4
71.68595	5.0
81.07097	5.8
83.12951	5.2
90.55032	4.8
116.77760	5.4
122.56781	5.7
139.54257	5.0
433.20776	7.1
503.08627	7.0
570.59235	6.7
602.52020	6.9
605.27020	7.0
623.28674	100.0
624.29077	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	623.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34762	10.6
52.68523	10.8
54.33551	12.8
57.07071	90.3
70.93774	12.2
79.05486	32.0
84.04492	61.1
85.06540	39.2
86.06110	12.1
88.22437	15.1
91.05502	16.7
93.55556	11.3
95.04866	11.8
96.04485	46.6
97.66512	12.2
102.05518	12.0
105.07016	21.7
117.07010	14.9
130.05011	34.3
134.05972	20.3
136.03963	39.2
147.07700	14.6
154.05003	22.2
171.07716	19.9
180.06570	19.6
182.04514	49.9
187.11172	33.2
199.07159	25.1
203.10625	23.0
208.06087	66.3
229.12218	49.5
231.14009	20.6
246.14699	15.7
262.68365	15.1
345.46378	16.5
375.19073	100.0
409.23718	93.3
470.20645	14.9
519.78223	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	623.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37208	8.0
52.61899	7.1
55.05503	20.5
57.60079	8.5
61.02907	22.1
65.03960	15.1
67.05498	53.7
69.03423	15.7
69.07043	26.2
69.08027	8.7
79.05482	38.5
81.07047	63.9
82.83704	8.6
83.08603	15.7
85.02879	27.4
91.03944	13.4
91.05474	50.6
91.71429	10.0
93.07022	47.9
95.04943	12.5
95.08584	34.6
97.02893	23.0
105.06995	48.3
107.08569	29.1
109.06463	8.5
109.10180	17.2
110.41039	9.7
117.07030	39.4
119.08595	27.0
121.10146	13.6
129.07002	45.7
129.21886	12.0
131.08565	50.5
132.26183	9.2
133.10100	15.4
141.07062	15.3
142.32765	10.4
143.08597	33.3
145.10106	17.9
155.08525	22.1
157.10091	20.2
167.08636	14.5
169.10147	16.3
181.10080	24.1
195.11668	18.2
199.14832	15.8
208.60271	11.3
244.93768	10.7
351.09436	24.2
351.23090	39.6
357.30640	12.5
361.70148	12.8
369.24359	28.5
443.27939	100.0
461.28680	41.0
510.07040	12.2
623.24805	28.2
628.39771	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	624.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
53.87387	1.8
57.03426	3.2
57.35363	1.7
61.02907	7.2
65.86463	1.7
69.03425	23.7
70.89034	2.2
71.04987	6.2
81.03410	15.9
85.02896	98.9
97.02885	37.7
99.04445	47.1
99.05048	4.0
99.75751	2.1
103.03254	4.9
103.03934	92.8
109.02859	14.9
118.48616	2.3
127.03910	100.0
132.72008	2.4
145.04948	67.5
163.06004	75.0
163.07352	4.8
186.07642	4.9
201.59494	2.4
204.08711	3.3
235.64413	2.3
271.08066	5.8
289.09143	7.0
307.10211	11.3
331.89279	2.6
351.68527	2.5
410.57919	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	624.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25150	3.1
53.00298	4.1
54.99216	3.4
57.03423	18.6
57.21114	3.5
66.34239	3.4
69.03424	100.0
75.04459	8.4
84.04478	8.7
85.02901	74.6
85.32963	4.0
87.04459	58.7
97.02879	94.1
98.06014	4.9
111.80785	4.5
115.03922	99.9
127.03927	8.6
133.04019	8.3
133.04955	76.8
142.69888	4.4
145.04939	15.3
150.07652	4.9
205.23805	5.1
259.08273	5.5
481.36752	5.8
511.81143	5.9
593.86127	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	624.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.0
57.07066	31.9
59.30469	1.5
62.47718	1.6
67.05477	2.4
79.05475	2.6
81.07030	4.0
85.06527	15.4
91.05476	20.9
93.07066	1.9
95.04960	3.7
103.05479	8.3
105.03383	3.8
105.07025	6.6
106.04347	2.1
107.04957	3.5
109.06508	8.3
115.05403	3.5
119.04937	25.0
121.06506	4.7
122.03658	6.2
122.58029	2.1
123.08060	3.4
124.39595	2.0
128.95090	2.5
131.04956	12.3
132.86255	2.0
133.06506	5.9
134.76115	1.8
137.05966	100.0
145.06494	4.5
147.04408	8.7
147.08031	2.7
147.95059	2.0
149.06046	3.0
150.06735	2.2
151.03970	3.4
151.07520	24.2
153.54536	1.8
157.11618	2.0
161.05981	18.5
162.06795	4.7
163.07520	5.9
171.08139	5.9
175.07539	11.6
177.05435	3.0
179.07043	9.1
187.07521	11.4
189.09094	2.9
190.93243	1.9
193.08643	3.1
195.76274	2.1
199.07510	4.2
205.08623	11.0
205.76653	2.0
216.87727	2.3
236.13547	2.0
245.15344	3.3
250.75626	2.1
251.10628	2.9
255.13762	3.9
267.13855	6.7
273.14777	5.6
279.10223	4.6
295.13220	10.7
297.11139	2.9
307.13348	2.4
309.11179	5.1
311.12701	3.4
341.13889	4.1
351.19659	2.6
379.18945	6.1
397.20056	56.8
450.49210	2.1
611.69611	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	624.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76051	1.6
53.00292	1.6
57.06803	2.7
57.07069	46.2
64.95393	1.8
67.05466	2.1
69.03407	1.7
69.46554	2.5
77.09693	2.2
79.05486	2.0
81.07035	4.2
85.06531	23.5
91.05468	14.2
94.04118	3.0
95.04947	4.7
95.46127	2.0
96.65446	1.8
97.02908	3.8
101.58745	1.8
103.05431	5.5
105.07047	3.1
107.05006	2.9
109.06500	6.1
119.04933	8.8
121.06490	5.0
122.03618	3.8
125.06079	2.5
128.06241	2.7
131.04927	17.3
133.06503	4.4
137.05972	100.0
137.09543	2.5
143.08553	4.8
145.02829	2.2
145.06546	4.4
149.05952	2.6
151.07529	22.6
157.06454	4.6
161.05940	6.9
163.07500	13.2
167.05009	2.6
171.08020	6.3
175.07564	4.6
177.05472	4.5
187.07562	6.0
189.09058	6.5
199.07512	6.4
226.00266	2.0
263.10666	2.9
267.13806	6.0
273.14948	8.6
277.12256	3.0
295.13263	20.9
313.14182	3.1
341.14114	2.6
379.19238	6.4
397.20062	93.5
398.20367	4.6
498.70419	2.4
652.01715	2.7
653.61395	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	624.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	25.5
59.61210	18.3
59.63422	21.3
61.84235	22.7
65.82572	23.5
67.05508	57.9
67.66409	22.1
67.81444	22.5
69.07064	52.5
72.81895	21.6
75.78651	21.4
79.05470	32.1
79.12542	21.1
81.07053	58.5
83.08646	20.4
91.05404	29.3
93.07050	41.0
95.08612	83.2
99.55257	22.5
105.07033	37.0
107.98106	27.5
121.10188	61.8
122.36008	24.6
135.11729	41.9
152.22742	24.3
162.93547	21.5
180.21629	24.0
202.14751	26.4
242.57004	27.9
262.60120	24.5
270.93307	24.8
469.40408	100.0
487.41388	67.2
550.06635	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	625.1763
Annotation	isorhamnetin-3-rutinoside
Peak:m/z	Relative Intensity
51.02628	0.5
53.00303	0.8
53.03929	0.9
54.19689	0.6
55.01857	1.2
55.05486	1.2
56.05019	0.6
56.26794	0.6
57.03207	0.6
57.03429	7.7
57.72814	0.6
59.04995	0.8
61.02908	1.7
61.31055	0.5
69.03421	8.8
71.01350	0.7
71.04982	59.8
73.02894	2.2
75.04471	4.5
75.60180	0.6
81.03388	2.2
83.04968	8.1
84.04476	0.8
85.02895	78.0
86.06039	1.3
87.04443	2.3
91.03908	0.6
92.02611	1.1
93.03387	1.4
97.02890	7.0
98.06042	1.5
99.04427	1.9
109.02876	1.5
111.04454	4.1
112.07544	0.8
121.02848	1.6
126.02994	0.6
127.03909	3.4
129.05473	18.3
134.58759	0.6
139.03893	0.8
145.04958	1.0
145.83511	0.6
147.06519	6.1
151.03889	3.5
153.01823	8.0
165.01729	0.8
188.09052	1.0
217.04916	1.0
223.55415	0.7
228.04129	1.4
229.04985	1.9
245.04449	1.4
246.05136	1.3
256.17715	0.8
256.20523	0.7
257.04489	1.4
273.03909	1.7
274.04697	3.4
285.03784	3.9
287.05307	0.8
302.04218	9.9
313.07101	1.0
314.04330	1.1
315.04922	1.7
316.05795	1.1
317.06528	100.0
318.07022	1.1
329.06567	3.8
330.07449	1.1
341.06345	2.1
355.08008	1.2
359.07541	15.1
365.79514	1.1
381.09167	0.9
383.07587	3.5
409.09344	1.6
427.10168	6.1
445.11377	3.7
463.12335	6.4
628.47809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1759
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
51.99266	0.8
53.64104	0.8
55.22882	0.8
55.66583	0.7
56.02047	0.7
57.03415	3.6
58.93715	0.8
61.62359	0.8
65.03955	0.8
69.03419	2.3
71.04984	17.6
75.04488	0.9
75.72593	0.8
81.03391	0.8
81.13317	0.9
85.02898	23.1
92.02608	0.8
97.02886	2.4
117.51637	1.1
121.02799	1.3
125.13988	0.8
127.03913	1.4
129.05470	4.3
145.04932	1.4
153.01807	4.4
165.01817	1.1
229.04900	1.7
246.05405	1.3
253.82738	0.9
257.04547	2.4
273.03824	1.3
274.04770	2.5
285.03934	2.9
302.04181	10.4
317.06522	100.0
318.07175	1.2
588.12048	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1758
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
52.32220	0.3
55.01847	0.6
55.05714	0.4
57.03429	3.1
59.65174	0.5
61.02914	1.0
69.03419	3.2
71.04985	20.1
73.02908	0.6
74.47289	0.4
75.04414	0.4
81.03378	1.2
83.04960	1.1
85.02899	24.0
87.04449	0.8
92.02604	1.0
93.03379	1.2
97.02863	1.7
98.06088	0.6
101.08540	0.5
109.02850	0.8
111.04447	0.5
113.45494	0.5
121.02791	0.9
127.03860	0.9
129.05481	3.8
136.20616	0.5
136.65060	0.4
139.03868	1.2
145.04941	1.1
147.57672	0.5
153.01813	4.9
165.01825	0.7
173.22504	0.5
174.30075	0.5
176.12737	0.5
217.04941	0.6
228.04167	0.9
229.04881	2.9
245.04541	0.5
246.05174	1.0
257.04379	2.2
273.03812	1.0
274.04642	3.2
285.03851	3.6
302.04187	9.2
317.06528	100.0
318.06876	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37676	35.0
81.07053	49.8
84.24332	40.5
125.65044	44.9
144.21684	43.9
156.35017	42.9
159.18033	39.6
166.25221	45.3
593.23987	87.9
625.26453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19211	4.6
55.01861	8.7
57.07071	30.0
77.48902	4.5
79.05487	17.2
81.07053	9.0
85.06536	13.4
91.05479	31.8
93.07027	16.6
95.04971	13.2
107.04950	16.0
119.04927	13.0
129.06999	8.1
135.04398	10.8
137.05960	11.5
137.09663	6.9
138.03061	7.2
147.04401	49.9
149.06108	6.8
153.05463	100.0
153.06612	9.1
155.08693	5.4
167.07112	12.7
171.82317	7.1
172.39116	5.5
179.06999	32.9
187.07513	6.5
195.06589	11.8
211.07721	5.5
219.10191	13.3
225.32231	5.8
257.57425	6.1
371.18396	6.5
381.20551	56.9
411.21991	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	625.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23035	2.6
55.05497	3.5
67.05496	6.9
75.35607	3.2
81.07031	4.4
87.79077	3.1
91.05465	4.9
93.07022	4.6
141.09099	3.1
154.53174	3.3
220.25867	3.6
445.24957	19.3
463.26663	19.5
466.06482	3.8
625.31946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67497	4.6
73.01321	5.3
78.43378	4.9
90.26975	5.8
91.71037	5.8
109.10100	5.8
240.40240	6.6
286.13583	7.8
296.97815	6.1
625.32153	100.0
647.03796	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	625.348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60249	3.4
57.07054	15.3
62.10649	4.0
66.31205	3.8
71.53016	3.2
74.83819	4.2
79.05486	4.5
84.04488	33.0
85.02889	8.9
85.06518	8.6
86.06067	10.1
91.05480	6.7
96.03824	3.3
96.04482	22.2
97.23854	4.3
114.73924	4.0
114.74886	4.0
130.05008	31.5
134.06004	5.4
154.05011	4.0
161.05937	7.0
162.05496	16.3
180.06595	19.7
199.11180	4.8
208.05992	33.2
227.10690	7.7
244.13319	5.9
245.11705	11.3
249.14943	5.9
267.09427	4.7
282.14822	6.1
310.14285	7.1
338.52969	5.1
373.17633	7.8
377.24716	5.2
383.75888	5.3
391.18567	100.0
395.25714	20.2
471.72070	4.9
503.70895	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	625.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16420	4.1
57.07064	18.1
67.05510	7.0
68.05029	8.0
69.76186	3.0
70.02956	5.2
70.06586	4.3
71.17167	2.9
79.05483	30.0
81.07060	4.4
84.04504	28.5
85.02914	3.7
85.06566	9.6
86.06060	5.9
91.05493	8.4
95.04961	10.2
96.04492	24.7
105.07055	5.7
106.35362	3.6
108.04491	8.5
115.05482	4.3
117.07008	5.4
119.04986	5.1
129.06969	3.8
130.05013	18.5
134.06050	11.0
136.04008	10.8
137.09662	11.1
140.90715	4.3
145.06505	11.4
153.06580	4.1
154.05045	11.3
159.07785	3.3
161.05984	4.3
162.05592	12.6
163.11263	7.2
171.07697	7.5
180.06615	15.5
182.04506	17.7
187.11282	9.4
199.07237	13.9
203.10704	5.4
208.06015	33.8
229.12184	19.2
246.15034	4.5
358.16602	10.8
375.19113	100.0
381.75461	4.5
411.25146	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	625.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63637	4.6
55.05498	14.1
56.02977	4.1
56.76167	4.6
63.98274	5.2
67.05502	35.3
69.07050	12.0
79.05497	15.6
81.07056	37.9
83.08612	9.6
87.76036	5.7
91.05463	32.4
93.07019	25.0
95.08598	23.2
97.03657	5.9
105.07049	37.1
107.08607	17.1
117.06990	15.1
119.08580	22.2
121.10164	13.0
129.06966	7.4
131.08623	33.8
133.10144	16.0
143.08566	9.5
145.10123	17.2
155.08543	7.7
157.10094	8.9
159.11652	14.5
209.68190	6.8
218.44012	6.6
221.64427	6.3
252.67558	6.8
265.46194	7.4
306.15085	6.8
371.25812	13.8
389.27039	14.4
445.29865	100.0
463.25885	10.6
463.31302	10.4
622.87823	9.7
625.31824	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	626.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
67.77171	4.0
70.06588	6.1
70.57006	3.0
71.04984	34.6
84.04469	3.7
84.08149	3.3
85.02898	36.8
86.09677	6.1
91.71768	4.2
105.07045	4.4
129.05510	7.5
147.41501	3.6
149.57739	5.2
184.07396	5.5
189.05414	5.8
194.22031	4.4
199.91235	4.3
217.04884	17.7
245.04446	21.9
246.15652	4.2
257.86185	4.7
271.03461	5.3
272.21603	4.3
273.03964	40.9
301.03369	100.0
317.06625	10.1
318.06827	15.7
461.54150	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	626.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.2
53.20338	1.4
57.03415	4.9
57.07055	6.1
61.46465	1.6
66.82325	1.9
69.03419	23.7
70.06571	1.7
81.03411	2.0
85.02896	21.9
87.04448	16.6
91.05471	12.6
93.07033	100.0
95.04962	4.4
97.02867	24.9
107.23776	2.0
109.02872	2.3
109.10141	5.7
110.87807	2.2
115.03916	33.8
127.03904	4.5
133.04968	22.8
135.11671	16.1
145.04964	6.3
150.07693	2.1
174.07446	2.0
224.82217	2.2
259.08133	4.0
286.14932	2.4
295.10266	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	626.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
53.56479	1.8
55.05506	10.2
59.78799	1.3
69.03396	2.8
72.55512	1.4
79.05490	18.1
83.04977	14.4
83.08611	7.2
87.68652	1.4
89.18229	1.8
91.05470	17.7
91.44324	1.7
91.71095	2.7
93.07040	3.9
94.04222	2.2
95.04960	7.8
95.63031	1.7
99.08037	2.0
101.31496	1.4
103.05468	5.2
105.03404	1.7
105.07036	8.8
107.04940	28.9
109.06499	5.4
111.08051	2.8
115.05412	1.8
117.07017	2.8
119.04935	18.7
121.06497	11.8
122.03636	2.7
124.03533	1.6
125.05983	3.0
129.07007	3.8
131.04921	11.1
133.06479	6.1
135.04398	25.5
135.08076	2.6
137.05969	74.3
139.03911	1.7
145.06482	3.6
145.10133	4.1
147.04411	6.4
147.08035	2.6
149.05991	13.3
151.03909	1.7
151.07532	8.2
159.08058	4.4
161.05946	14.1
163.07539	5.1
167.07027	75.2
175.07509	5.5
177.05501	2.8
179.07083	4.0
187.07547	4.0
189.09193	2.4
191.10623	5.5
201.09035	1.8
201.12788	4.8
202.32242	1.8
204.70932	1.7
205.08609	2.7
205.12260	12.9
217.12140	1.7
225.09105	2.0
229.12199	2.2
238.34593	1.6
245.15633	1.8
253.12254	1.6
255.10272	2.2
259.75137	1.6
299.16519	5.4
309.11194	3.7
323.16406	6.5
341.17368	28.0
353.17374	4.6
366.18365	5.4
371.18356	3.4
381.20569	100.0
393.20688	4.6
399.21548	12.9
548.10278	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	626.332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.5
55.05503	12.6
58.02692	1.4
59.24383	1.5
59.52576	1.4
65.03932	1.5
67.68586	1.4
69.03416	2.6
76.14403	1.3
79.05492	9.9
82.85066	1.5
83.04965	11.4
83.08611	5.3
91.05479	10.8
91.71731	3.3
93.07028	2.0
95.04959	4.0
100.39471	1.5
103.05481	5.2
105.07009	5.9
107.04952	17.5
109.06516	4.6
111.08041	3.9
119.04932	10.0
121.06517	9.3
122.03661	2.7
123.08018	2.2
124.05223	1.9
131.04947	11.4
133.06468	3.6
135.04410	14.5
137.05969	56.4
143.08615	1.8
145.06546	2.6
147.04437	3.2
147.08148	2.5
149.05980	8.8
149.56519	1.7
151.07532	6.8
153.70911	1.8
161.05928	11.8
163.07529	9.9
167.07034	44.8
167.08504	2.4
175.07486	3.9
177.05472	2.0
179.07022	1.7
187.07524	3.0
187.11264	2.1
191.10713	4.8
192.18275	1.8
201.12772	3.8
205.08704	2.3
205.12227	8.2
297.14792	1.7
299.16617	2.4
309.11172	2.1
323.16556	6.3
341.17453	22.2
353.17487	5.8
366.18280	4.5
371.18320	4.4
381.20566	100.0
382.20853	2.6
393.20596	3.4
399.21747	12.6
522.40210	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	626.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53006	6.0
57.07054	30.0
70.91890	8.1
85.06554	8.8
87.42993	7.4
91.05476	13.0
100.88315	7.5
119.04935	21.5
126.39606	7.6
137.05959	100.0
148.59889	8.6
151.07626	20.1
158.50845	11.5
161.05966	14.0
268.73062	11.7
273.14734	11.5
285.14734	13.5
295.67252	9.1
363.19510	15.1
381.20456	37.8
399.21893	15.8
454.10010	10.8
566.03772	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	627.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66582	8.5
97.02860	8.2
107.04962	19.6
113.96387	12.2
127.03893	14.5
130.26898	9.1
137.05972	100.0
139.03893	33.6
154.99059	9.8
155.05400	9.0
155.97447	13.7
179.36363	9.1
181.99113	15.9
194.97382	12.1
208.98976	15.2
217.99031	26.0
234.01917	11.2
234.99034	32.1
250.01582	11.2
251.00090	16.5
258.00665	54.3
299.03326	10.3
331.03714	12.6
353.03067	41.3
385.03616	21.8
394.05966	12.9
411.03766	39.7
438.04596	19.0
459.81918	9.8
584.53503	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	627.1551
Annotation	Myricetin 3-robinobioside
Peak:m/z	Relative Intensity
53.03930	0.5
54.29551	0.4
55.01854	0.4
55.05485	0.6
56.40667	0.3
57.03438	2.6
61.02909	1.0
64.20562	0.3
68.99756	0.4
69.03423	2.2
70.06580	0.8
71.01376	0.4
71.04981	19.4
72.08134	2.1
73.02901	0.5
75.04461	0.8
81.03403	1.0
83.04950	1.3
85.02895	26.3
86.09691	1.4
87.04429	0.6
97.02889	2.7
98.06023	0.8
99.04422	0.5
109.02869	1.2
111.00798	2.7
111.04427	0.9
127.03881	1.3
129.05472	3.8
137.02306	1.9
139.03780	0.4
145.04942	0.7
147.04338	0.5
147.06506	1.0
153.01802	9.7
165.01836	2.9
177.05437	0.6
179.03427	1.0
183.02914	1.0
185.16481	1.2
195.02917	0.7
207.02867	0.5
213.16010	0.7
217.04977	2.7
245.04478	4.3
263.05560	0.8
273.03906	3.9
284.19693	0.5
290.04349	1.0
301.03394	0.6
319.04449	100.0
320.04764	1.9
363.36499	0.7
515.50903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.9
56.10141	2.1
56.74094	2.0
58.99581	2.1
74.00648	8.0
76.02218	15.0
76.03993	3.5
79.70198	2.1
83.06107	5.7
84.04488	21.7
85.04025	25.0
90.05556	13.1
92.01701	17.0
99.05572	7.4
100.02211	6.1
105.78579	2.2
107.06121	3.0
107.99392	8.0
109.07661	8.2
112.03967	18.8
113.01733	2.9
113.03503	10.7
116.01702	5.7
129.06654	2.9
130.05014	16.8
131.02800	2.9
131.04521	10.5
131.99390	11.2
135.05489	3.4
139.03252	4.6
140.01611	3.4
144.01173	3.9
144.06544	20.8
145.06064	9.4
153.06612	10.4
155.08160	9.6
159.02184	6.6
162.02197	5.0
177.03302	18.0
179.04778	3.9
181.06133	10.2
185.03786	46.9
189.01605	3.2
191.04843	19.8
193.06442	3.4
199.07199	10.2
211.02122	6.0
223.02063	2.8
225.03680	3.0
231.04324	100.0
235.01944	12.0
241.37328	2.4
249.03653	3.7
265.03174	7.5
288.06293	3.0
302.07953	4.4
369.08948	74.0
409.08521	9.6
423.09982	5.0
495.69595	3.2
498.13318	12.2
552.14423	4.0
609.15875	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	627.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19166	1.8
56.96555	26.3
57.22930	1.7
63.05522	2.3
84.96015	4.2
93.31902	2.0
97.99204	3.6
98.97572	5.7
116.98624	6.2
124.16275	2.0
134.99680	4.8
140.00194	5.9
158.01239	4.6
181.02826	6.8
223.06322	2.9
241.07484	7.5
261.08115	5.6
264.09070	7.2
273.08151	3.5
279.09009	7.8
291.08859	6.2
302.10605	9.1
303.08960	3.2
309.10168	15.3
314.10468	11.6
321.10092	5.9
326.10498	8.7
327.10977	2.5
332.11676	23.6
337.12344	3.8
339.11093	4.0
344.11761	9.6
350.12762	6.9
355.13275	27.2
362.12527	4.7
363.11050	18.6
367.13223	13.4
373.14413	2.9
381.12134	18.1
385.14465	6.1
404.13770	100.0
405.14172	4.5
413.03226	2.6
442.38428	2.3
445.16367	4.2
482.80551	3.4
535.18024	2.6
629.54681	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	627.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45760	4.4
50.98733	3.8
51.85438	3.7
56.96562	44.5
61.53112	4.7
63.67600	4.2
66.46996	4.3
66.76255	4.0
79.64606	4.7
84.96025	41.4
96.48459	5.6
98.97571	13.0
102.97067	9.5
116.98621	18.3
125.98650	16.8
134.99634	8.8
140.00174	20.4
143.99683	8.1
158.01305	22.3
167.01297	7.3
181.02852	17.0
190.72723	5.8
222.08078	5.5
247.13326	15.9
285.08051	14.6
288.06592	6.8
303.08966	26.6
306.07620	13.4
316.11905	7.8
321.10034	53.8
324.08704	12.2
326.10535	35.6
329.09576	12.5
339.11087	24.1
344.11703	84.3
345.10138	18.0
362.12775	17.9
363.11090	51.4
367.13321	86.4
372.11166	7.5
381.12143	19.7
386.12650	39.6
398.76276	6.8
404.13776	100.0
531.20166	11.9
549.21387	20.3
572.23279	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	627.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50380	3.3
54.13984	2.7
59.18049	2.9
62.58165	3.0
69.93872	3.4
98.49084	3.2
101.71348	4.0
112.00518	3.5
122.77050	4.3
205.65616	4.1
261.64417	3.9
303.50720	3.4
303.91547	4.2
478.09940	3.6
518.35400	3.9
567.03571	5.4
589.10980	3.7
596.97644	5.2
627.25464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84595	4.5
80.75726	4.6
101.36358	4.9
112.17717	5.5
135.36923	5.8
135.43898	5.5
185.66861	6.3
207.39201	5.6
313.70227	5.8
375.17981	6.0
449.19370	8.0
627.25684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2815
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
51.53745	2.9
57.47306	3.1
75.43859	2.8
78.97417	3.0
148.71387	3.4
183.28465	3.3
218.89716	3.3
277.92715	3.2
337.71222	4.0
407.22607	6.3
419.18784	5.0
421.20084	3.6
434.20984	4.7
435.22128	9.5
449.19861	8.2
462.94263	4.4
507.23849	10.3
567.26300	17.7
627.28125	100.0
628.28241	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	627.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63932	0.6
54.64992	0.6
55.05504	1.4
58.99013	0.7
62.54565	0.6
63.48267	0.8
65.61734	0.6
67.28387	0.6
69.07040	2.7
72.04506	2.5
72.08147	28.8
75.02713	1.4
75.27762	0.8
86.09699	100.0
90.03773	4.4
98.09705	1.2
112.11247	2.1
116.05328	1.9
118.03226	7.5
140.14307	1.4
144.08382	1.0
154.15930	2.9
157.13354	11.6
158.09941	5.1
167.23436	0.8
183.11298	2.4
185.12817	11.8
185.16489	2.1
189.10532	11.8
199.18135	2.6
203.12198	5.6
213.16103	2.9
217.10043	7.5
225.19554	1.3
227.17624	2.1
231.11691	2.6
239.17555	1.2
243.11647	1.3
253.19092	1.9
254.15039	2.2
257.16870	1.4
271.18417	1.4
282.18076	5.3
284.19846	1.3
285.16238	1.4
296.19702	2.1
298.21164	5.2
330.18301	4.8
353.21780	7.6
367.23486	1.9
390.38058	1.0
395.26352	0.9
401.22153	7.3
411.29608	1.8
415.23608	1.1
466.30109	8.5
469.28394	1.2
480.31824	0.9
486.31342	1.6
505.21872	0.9
514.30566	8.4
528.31409	1.4
599.39606	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	627.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00839	1.1
56.96302	2.4
56.96561	32.8
71.95247	2.3
74.24899	1.2
83.59753	1.4
91.71014	2.2
97.96810	2.0
97.99182	3.6
110.97534	2.9
115.97851	2.0
116.98627	1.9
128.98592	7.9
133.98776	1.8
138.99429	1.7
146.99648	7.3
152.00166	5.1
153.10046	1.7
161.01241	2.0
169.63313	2.0
170.01256	6.6
184.02747	2.1
185.04814	2.0
193.02859	5.3
208.06456	2.2
263.09564	2.3
286.11047	4.2
303.12827	2.4
303.68954	2.1
315.16248	31.5
326.14191	2.4
333.17300	41.7
349.10889	1.6
351.18387	13.9
354.17670	2.6
356.18945	100.0
357.19189	6.0
374.20001	56.5
375.20453	3.6
397.21628	16.5
415.23013	3.4
559.71027	1.9
591.36536	1.9
659.74744	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	627.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28448	9.6
55.05483	15.3
57.03417	16.9
65.91013	17.3
66.27471	10.5
67.05489	57.2
69.07042	18.2
73.31136	12.4
79.05492	34.0
81.07038	50.8
83.04957	16.3
91.05464	30.5
93.07042	56.6
95.08588	40.7
105.07009	33.1
107.08622	26.9
109.10134	13.3
128.36491	13.3
131.08575	27.1
133.10109	17.3
135.11725	20.4
136.16602	13.3
139.02336	12.2
139.97101	12.8
145.10098	14.9
242.41260	17.2
275.20016	100.0
305.87268	16.6
319.98935	16.3
335.25580	24.6
349.23688	33.6
609.44299	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	628.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	25.3
59.05000	3.2
60.04522	4.2
61.02925	3.9
62.38363	2.4
69.03419	100.0
73.02916	2.8
75.04475	5.2
77.58280	2.9
81.03410	3.8
81.28918	2.6
84.04533	5.4
85.02898	85.4
87.04459	61.4
87.04940	4.3
97.02884	90.1
97.03466	6.0
109.02930	3.9
115.03923	100.0
123.04424	20.2
123.44675	3.0
124.05202	4.1
127.03916	9.8
133.04956	68.2
133.05850	4.9
145.05022	13.1
151.07600	15.8
153.05499	5.0
155.07022	44.2
163.06073	7.5
164.04660	17.4
174.07712	3.9
179.07019	54.9
179.08499	3.1
180.89833	3.2
182.05811	4.8
191.07072	9.4
193.08575	3.3
197.08156	9.7
221.08261	4.6
221.54813	3.4
233.08232	9.3
241.07146	3.8
251.09090	28.1
259.08279	6.9
281.10257	9.6
295.10284	4.4
312.12936	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	628.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60070	2.1
54.32768	2.0
55.05496	2.7
55.65799	1.8
57.03434	21.6
61.02919	3.1
67.05487	7.2
69.03419	6.9
69.07056	8.7
81.03413	7.9
81.07047	11.5
83.08588	3.4
85.02911	12.4
85.99830	2.3
95.08618	8.5
97.02898	4.8
98.06104	2.5
105.01849	2.7
109.02892	7.2
109.10161	6.1
117.05490	100.0
119.08633	2.3
123.11721	3.0
124.42417	2.7
127.03873	3.4
129.41998	2.7
133.10114	2.9
137.57619	2.4
141.13716	2.5
158.11607	2.8
193.40424	2.9
193.60271	2.8
199.26613	2.6
248.27106	3.1
327.25296	9.6
345.26337	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	628.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60070	2.1
54.32768	2.0
55.05496	2.7
55.65799	1.8
57.03434	21.6
61.02919	3.1
67.05487	7.2
69.03419	6.9
69.07056	8.7
81.03413	7.9
81.07047	11.5
83.08588	3.4
85.02911	12.4
85.99830	2.3
95.08618	8.5
97.02898	4.8
98.06104	2.5
105.01849	2.7
109.02892	7.2
109.10161	6.1
117.05490	100.0
119.08633	2.3
123.11721	3.0
124.42417	2.7
127.03873	3.4
129.41998	2.7
133.10114	2.9
137.57619	2.4
141.13716	2.5
158.11607	2.8
193.40424	2.9
193.60271	2.8
199.26613	2.6
248.27106	3.1
327.25296	9.6
345.26337	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	628.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	4.0
65.75529	2.4
80.05013	6.5
89.06027	12.4
121.13522	3.1
130.08696	4.7
133.08630	9.0
134.06012	59.3
136.03934	100.0
165.10182	2.7
177.11243	3.7
192.15491	3.0
248.16458	5.4
273.52426	3.3
279.45874	3.8
314.16632	4.1
374.54260	3.7
404.12360	33.2
516.24878	10.0
526.86438	4.4
628.37292	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10151	2.3
51.83630	2.2
56.66887	2.6
57.17915	2.6
62.93452	2.5
81.07029	4.7
91.05475	3.7
112.31601	3.5
147.06551	5.6
184.45731	3.2
202.40517	3.9
211.37796	3.5
215.09200	6.7
246.29512	3.5
286.75436	3.7
431.15720	4.1
459.17560	3.9
629.25830	100.0
649.87122	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	629.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47769	3.7
62.99656	2.7
63.95690	2.5
88.57664	3.6
105.93169	3.4
155.14613	3.4
169.19627	3.2
176.69838	3.2
202.06160	4.2
348.50089	3.6
419.18494	5.2
563.43604	3.9
629.27173	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31782	3.3
56.22552	4.0
58.83400	3.4
79.98446	4.5
131.61110	5.0
169.32430	4.4
327.23294	5.0
384.34357	6.9
422.67075	5.7
629.27118	100.0
630.27405	6.1
638.24719	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	629.2716
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
54.00563	2.6
60.99788	3.2
62.19047	3.3
69.46706	3.5
106.59304	3.7
106.60058	3.5
137.05983	4.9
154.75281	4.0
171.23341	4.2
176.84042	3.8
294.33081	4.4
629.27191	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.272
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
50.10583	1.1
56.73404	1.3
80.00730	1.5
91.73547	1.8
99.73962	1.7
106.02867	1.6
107.77077	1.7
108.49088	1.6
119.98134	1.6
137.05997	2.1
146.03369	3.2
202.05951	3.1
269.22296	1.7
325.75546	1.8
332.13898	2.0
419.18372	2.9
433.20053	3.3
449.19260	4.8
476.51849	2.2
629.27100	100.0
630.27655	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	629.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
65.29629	3.5
103.05446	5.3
108.52108	4.5
128.15596	4.0
137.05978	9.5
138.63284	3.9
509.68967	5.0
578.32330	5.3
589.21002	5.5
629.27124	100.0
630.27203	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	629.273
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
73.04733	7.4
74.76273	5.3
82.75536	5.5
89.06036	17.5
90.75526	6.5
91.05794	11.5
98.12547	7.1
103.55236	5.5
103.82982	5.4
114.07366	37.0
127.64305	6.3
129.50806	5.5
133.08606	17.5
134.88774	6.4
147.26410	6.5
215.59918	5.9
225.04286	13.1
286.01129	9.2
380.97888	6.2
629.27399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	39.9
57.07060	17.6
67.05495	100.0
69.07057	70.3
69.33100	8.1
71.08615	10.0
79.05482	24.1
81.07057	100.0
83.08606	55.1
89.06027	25.0
91.05475	14.5
91.71643	21.3
93.07031	31.2
95.08604	81.0
97.06505	11.9
97.10149	42.8
105.07029	15.5
107.08588	20.0
109.10135	40.6
111.11726	14.8
121.10121	27.0
123.11705	18.4
133.08575	22.9
135.11665	18.7
137.13223	13.3
194.95358	10.0
206.19269	10.2
213.47342	13.2
217.19534	29.2
235.20616	20.6
253.21542	21.2
257.24799	11.9
509.44998	23.3
531.40656	12.8
592.82867	12.7
632.96545	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	630.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27184	1.2
53.03955	0.8
54.39627	0.7
55.01859	1.0
57.03438	1.1
61.02902	1.4
67.01830	0.8
68.99763	1.1
69.03426	8.8
70.06579	2.6
81.03413	3.1
84.08118	1.2
85.02895	39.2
87.30682	0.8
95.04977	1.6
97.02880	7.0
99.04433	1.9
107.04945	28.6
109.02853	4.5
111.04404	1.2
121.02866	1.8
127.03896	7.5
129.53065	0.9
135.04431	2.5
139.03947	1.7
145.04980	3.4
147.07993	1.1
149.02335	38.2
153.01825	59.8
167.03424	6.2
169.06448	1.2
171.02879	5.2
179.43921	0.9
195.02859	7.7
215.07007	32.0
229.16785	1.0
243.04054	1.5
243.06528	32.4
271.06024	13.7
289.07034	100.0
290.07407	2.0
406.00232	1.4
451.12271	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	12.6
60.04523	27.1
64.05263	7.1
70.02954	10.2
70.06601	23.1
74.06073	80.0
76.66013	10.0
82.23454	7.8
84.04507	14.9
85.02898	10.0
86.09711	19.5
88.03962	44.3
91.05456	45.5
95.81546	8.1
97.04044	15.1
98.06054	13.4
107.05006	10.8
111.67118	9.8
116.07112	25.3
118.06538	46.6
119.04939	15.8
120.08111	70.0
123.04471	17.9
127.03276	16.8
130.06558	19.7
136.07581	100.0
143.04553	12.1
143.43774	8.7
144.08128	24.8
146.06058	33.3
147.85561	9.2
153.89603	9.3
156.04507	19.7
161.09245	12.4
165.05547	25.1
170.70432	10.3
171.07611	11.3
172.07594	17.0
182.08109	50.5
184.38803	11.0
189.08745	15.7
190.08812	11.4
200.07236	19.5
220.02121	9.8
220.04466	9.5
230.09784	14.6
235.10884	35.6
240.52908	9.2
261.08664	88.8
269.11481	10.9
271.07474	11.0
283.12930	19.0
289.11926	22.1
334.14081	13.9
348.12076	19.5
374.93491	14.1
400.44138	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	7.9
67.13933	5.8
79.05447	8.1
81.03407	74.9
82.49197	7.3
82.99603	7.9
86.50819	6.3
91.05473	8.4
103.05466	12.7
105.07009	16.6
107.04961	16.8
115.05443	15.8
116.22015	5.7
117.06950	9.5
121.06516	9.5
126.73885	6.7
131.04863	20.2
132.05739	15.9
133.06523	10.3
133.44890	9.5
137.05923	11.6
145.06474	30.1
149.06000	9.4
151.76671	7.4
161.05949	63.4
167.07019	100.0
173.05986	38.8
175.07518	8.5
177.28392	7.0
179.06996	10.5
189.05473	16.4
190.06206	34.1
191.07050	31.8
192.07811	25.4
193.08604	32.5
204.54294	7.6
205.08575	68.8
215.46086	7.3
217.08675	22.6
235.09653	31.8
248.93420	8.2
265.10776	15.6
339.12149	10.0
343.11752	9.0
380.90875	7.6
385.12708	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	630.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11230	2.7
59.14466	2.6
74.36083	2.7
88.57031	3.7
91.05489	11.4
98.80190	3.5
105.07012	7.5
119.04934	9.4
121.06570	3.1
122.01522	3.2
122.03628	10.2
124.17729	2.8
128.06209	3.1
129.06981	11.4
131.04938	3.9
131.08554	8.7
133.02864	39.5
137.05969	99.5
141.06970	4.6
145.06494	3.4
147.04382	7.1
149.05977	10.9
151.07539	9.2
157.06453	5.2
159.08058	9.7
161.05972	13.4
162.06664	7.3
171.08055	6.0
178.22949	3.4
179.07054	4.7
185.09593	3.6
185.46147	3.5
187.07582	10.3
189.09114	11.3
198.06822	6.0
201.09164	5.1
213.09087	7.5
214.45619	3.6
215.10818	4.7
217.08699	4.7
225.08923	3.8
235.59175	3.3
243.08003	3.4
243.10121	15.1
273.11261	10.3
277.12164	4.7
313.21735	3.6
320.21063	3.5
354.14520	4.6
367.15320	100.0
379.15500	16.3
397.16437	95.6
631.27893	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	630.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29903	5.9
57.07065	38.3
71.08616	28.1
83.08595	7.5
85.10174	24.7
87.04440	7.1
89.06018	100.0
101.03056	6.1
102.19616	5.9
117.09116	6.6
130.08669	29.7
133.08592	60.7
155.18057	6.3
177.11241	21.9
183.17133	6.1
240.23216	7.9
243.23100	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	630.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	17.9
57.03423	23.0
57.07063	51.5
63.66288	6.8
65.78713	6.3
67.05499	48.3
67.38620	6.5
67.75056	9.2
69.07045	24.3
69.44659	7.4
70.34816	6.6
71.08624	40.9
73.89281	6.6
79.05486	13.3
81.07048	55.4
83.08607	17.0
85.06556	7.7
85.10188	19.0
89.06013	8.7
91.05447	8.4
93.07030	12.1
95.08598	51.8
107.08580	9.7
109.10172	18.1
116.52270	7.0
121.10109	13.5
123.11636	10.8
192.81104	7.5
211.20493	10.9
285.24176	100.0
290.87469	8.3
325.23853	20.7
365.39063	10.2
535.43726	41.2
635.91895	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	631.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75132	4.6
53.85280	4.8
54.06514	4.5
65.03925	5.3
69.23416	5.2
86.46249	5.5
91.05478	8.2
95.04947	8.7
109.02859	17.8
119.04936	8.3
123.04418	18.2
131.04927	17.9
133.02849	9.2
137.05966	71.2
137.97095	6.4
139.03879	76.2
149.06038	7.8
151.03891	72.7
151.07535	53.3
163.03899	24.0
163.07521	17.2
169.04977	17.7
175.03828	8.4
177.05499	20.1
181.05103	7.9
193.05003	9.5
255.06306	7.5
301.07367	12.4
301.10599	100.0
319.08087	96.3
469.15039	34.2
509.96161	8.4
514.63147	8.4
516.49048	6.9
518.57343	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	631.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
61.90322	2.9
66.65804	2.6
114.28286	3.6
121.29485	3.3
202.06050	5.5
376.96277	3.8
418.30444	4.0
421.19916	5.7
536.88654	3.6
572.66742	4.2
591.33832	4.1
631.28699	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	5.8
57.55529	1.1
76.99895	1.1
84.78654	1.1
91.71722	1.4
92.19067	1.1
98.88172	1.3
99.44631	1.6
128.84673	1.3
135.04457	1.4
137.06006	1.9
163.61076	1.3
191.38028	1.4
202.06085	5.7
287.16214	2.2
318.13766	2.7
330.13672	2.1
367.14120	7.1
385.15356	2.1
402.16824	1.6
408.16910	10.6
421.19724	6.2
431.40866	1.5
454.46429	1.6
631.28711	100.0
632.29108	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	631.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84229	6.2
61.89096	7.7
67.15556	7.1
98.03623	7.6
106.54718	7.6
137.05968	12.5
299.11728	10.6
333.48145	10.8
346.56137	9.6
631.28662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43692	1.8
54.47398	1.8
55.01453	1.8
69.03421	3.8
70.06581	2.2
71.04993	4.2
80.53658	2.1
85.02931	8.9
90.59105	2.1
125.58164	2.0
127.03867	1.9
159.34595	2.4
219.91278	2.7
331.09949	100.0
483.00879	3.0
608.76678	2.8
633.14154	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	633.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88305	3.5
54.21161	4.4
54.75196	4.2
55.01849	5.6
58.06586	9.9
58.39027	4.6
60.08157	50.6
68.05007	4.8
70.79559	4.9
74.00655	13.0
74.85786	4.0
76.02226	5.0
76.03979	25.1
83.06102	9.3
84.04484	24.3
85.04008	35.3
91.71078	5.3
92.01701	18.1
95.06107	9.8
99.01447	9.8
100.02209	8.6
103.11762	5.2
107.24207	4.9
112.03965	8.9
113.03506	12.5
126.02457	58.1
127.03262	87.5
130.04984	58.4
131.04535	23.6
145.04311	11.5
145.06096	8.1
149.03845	11.8
153.04803	7.1
154.06873	11.4
160.00674	9.6
161.10791	6.3
176.97192	4.9
177.03265	100.0
185.03818	18.5
185.09802	87.9
186.10597	32.8
206.39467	5.4
223.09013	31.7
230.09674	7.5
231.04347	7.6
238.06538	6.7
256.07501	30.1
257.09650	9.9
282.16306	91.1
306.07806	7.0
326.15356	6.5
329.07617	5.7
405.68832	6.7
442.19412	12.0
460.20328	10.6
465.25034	7.0
486.18442	7.6
589.24799	97.9
633.23474	16.0
651.01611	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	633.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50505	8.8
62.61003	9.7
62.71290	9.4
66.81584	9.5
83.42220	11.0
95.95875	10.2
96.24368	11.6
104.07133	17.7
106.30701	12.5
122.09699	40.9
136.56752	13.2
147.04482	21.1
147.73302	13.0
172.25392	12.4
255.29814	13.1
633.28528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11697	5.4
53.60476	5.7
60.01719	6.3
64.71565	6.5
66.78777	7.3
91.70992	8.0
107.99654	7.4
131.05943	7.6
201.65468	10.0
253.09776	10.7
297.53195	9.4
313.11856	48.0
341.11240	33.9
373.13885	100.0
391.15326	16.0
406.17667	39.0
418.21490	9.0
466.19620	42.4
496.20642	18.4
633.29242	53.3
651.71619	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	633.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52823	1.6
89.20605	1.4
96.87117	1.5
119.11962	1.7
131.04991	1.9
137.05920	1.7
167.42603	1.8
202.06052	4.6
273.67090	2.2
317.17166	2.6
423.21576	5.4
570.68469	1.9
633.30280	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02264	1.7
57.19160	1.5
60.77303	1.7
81.68980	2.1
91.71648	3.4
101.87360	2.0
202.06055	6.9
317.17404	2.9
320.07266	2.6
348.29547	2.4
423.21890	3.7
633.30322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.5
55.05494	13.4
55.90776	4.4
57.03421	21.9
61.02920	60.7
62.27757	4.0
64.59092	4.5
67.05493	47.4
69.03423	40.3
69.07050	12.1
71.01377	6.5
71.08567	3.9
73.02912	18.7
79.05486	16.1
81.03407	22.1
81.07051	56.2
83.04970	6.5
83.08593	5.8
85.02897	100.0
91.03949	45.5
91.05493	8.3
93.07046	11.8
95.04916	6.0
95.08608	27.7
97.02884	62.5
99.04439	10.1
99.08067	5.1
103.03962	10.2
109.02903	12.0
109.10159	16.0
114.96690	4.9
115.03922	5.6
121.10164	9.7
122.48050	5.2
127.03931	26.1
133.10127	5.6
139.56779	5.2
145.04956	10.6
147.11679	7.0
159.06483	6.5
163.05994	9.4
176.23972	5.1
182.01567	4.8
201.07600	6.8
217.19507	15.5
235.20541	13.3
245.84270	5.7
256.07800	5.2
270.48679	6.1
276.94458	5.1
309.24271	48.2
453.28583	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	31.9
57.03439	8.3
57.07080	7.3
59.34577	3.5
60.08190	4.2
61.05373	4.1
64.69491	3.7
67.05499	47.8
67.05833	4.8
69.07067	46.7
71.05022	4.7
77.80037	3.7
78.79199	4.4
79.05491	10.0
81.07050	65.9
83.08611	29.7
85.06533	5.1
86.09765	4.0
91.05518	14.1
93.07024	25.7
95.08605	65.3
97.06568	9.0
97.10172	21.9
105.07018	9.3
107.08633	15.2
109.10195	20.6
111.11728	5.6
119.08669	6.7
121.10114	24.0
123.11834	10.8
133.10185	11.6
135.11742	20.2
145.10300	5.3
147.11743	8.8
157.04817	4.8
161.13322	5.3
165.12729	4.8
175.14824	5.7
235.20650	14.7
253.21822	7.5
255.84802	5.2
309.24380	15.9
327.25272	100.0
345.26550	10.8
579.46643	24.8
663.26105	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	635.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36757	3.5
81.53309	4.0
88.33464	4.8
101.80353	4.1
103.05466	6.4
109.51873	4.0
123.22099	4.8
137.06013	14.8
149.05966	5.1
159.04211	9.4
177.05478	20.0
201.57057	5.0
261.88290	6.5
262.43704	6.1
264.26862	5.2
349.46271	5.4
451.56210	5.7
550.53259	5.9
635.24561	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.5
55.01843	1.9
56.50816	1.5
57.07064	9.7
65.03940	1.8
66.76507	1.9
67.76340	1.7
78.44383	1.8
79.05476	6.5
81.03383	2.1
81.07053	2.4
85.06522	5.4
89.03918	3.1
91.05474	11.2
91.71603	3.2
93.06999	3.8
95.04971	12.7
97.02887	8.8
103.05460	22.5
105.07026	9.5
106.04167	9.5
107.04947	6.4
107.08613	3.0
111.04417	2.0
112.91319	2.3
115.05451	3.1
117.03377	6.6
117.07009	5.6
119.04961	4.8
121.06529	5.6
123.04433	5.1
129.07007	2.7
131.04922	19.4
133.06468	10.3
135.04439	5.7
137.05969	5.9
147.04427	3.2
147.08067	2.0
149.02321	2.4
149.05965	21.0
153.05411	3.2
159.04462	2.9
161.05867	4.4
163.07509	2.4
165.05444	3.3
167.07037	2.6
172.77310	2.3
177.05455	100.0
178.06168	2.3
179.07022	4.2
189.05472	6.9
195.06615	2.9
219.06482	11.5
263.12686	4.1
271.12225	2.2
281.08301	3.1
284.64343	2.4
294.53223	2.1
298.07816	2.3
311.09070	3.7
353.10437	4.1
393.34720	2.8
489.44321	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	635.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
65.50966	5.1
70.93525	5.7
91.71731	12.0
103.05450	27.5
105.07037	7.4
107.04980	6.8
115.05458	6.8
120.10573	6.9
121.06595	7.6
122.03634	8.1
131.04915	25.7
133.06503	6.7
137.05969	100.0
146.03638	8.1
149.06038	6.1
152.72392	6.5
155.74768	7.2
161.05948	13.8
163.07542	30.0
171.49994	6.6
177.05449	18.7
178.62737	6.4
182.13663	7.3
187.07552	20.2
188.25406	7.4
245.48093	7.5
247.07605	8.8
277.08441	8.1
307.09763	34.3
308.10507	19.0
337.10925	7.4
377.84476	7.2
381.22064	8.1
420.15109	8.5
420.20996	9.9
433.16504	19.4
497.19540	13.9
509.19562	14.5
539.20422	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	13.3
59.87270	2.1
65.98483	2.9
67.05474	2.2
68.92815	2.1
77.70744	2.7
79.05474	7.1
81.07030	2.7
85.06519	6.3
91.05479	6.0
93.07036	4.4
95.04935	7.5
103.05473	18.1
105.07024	10.6
106.04178	12.3
107.04972	5.3
114.97194	3.7
115.05465	5.1
117.03291	4.4
118.04150	3.5
119.04911	3.9
121.06508	7.3
125.06011	4.1
131.04921	17.2
133.06514	12.1
135.04466	7.7
135.08051	2.9
147.04413	4.0
149.05960	29.4
161.05981	17.9
163.03885	5.3
167.07053	5.8
177.05464	100.0
177.07019	5.1
179.03426	3.0
189.05498	8.7
195.06557	4.8
203.07135	3.0
215.06963	3.3
217.12274	7.9
219.06456	23.4
219.13802	12.0
223.07440	3.9
233.08253	3.5
247.13370	2.9
250.06331	3.5
281.08115	8.8
298.67029	3.2
311.08832	3.4
313.11154	3.6
371.11279	4.8
446.81580	4.6
515.91223	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	635.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.5
57.07066	21.1
64.35337	2.9
65.03920	4.5
67.05484	5.3
71.79121	2.8
73.72027	2.4
73.92016	2.6
78.04706	2.5
79.05460	7.8
79.06138	2.3
81.03374	3.5
81.07030	5.4
83.04964	3.9
85.06512	9.1
89.03921	5.3
89.92314	2.5
90.96292	2.9
91.05472	18.9
93.07014	4.6
95.04964	10.4
95.08598	3.0
97.02874	7.8
103.05481	25.4
105.03403	5.7
105.07037	23.7
106.04160	17.2
107.04935	7.7
107.08591	5.1
109.06519	3.6
111.04447	3.8
112.69895	2.7
115.05431	6.4
117.03383	9.4
117.07007	6.8
119.04955	5.7
119.08604	3.7
121.06516	10.3
123.04418	4.5
128.06239	3.9
129.07022	5.3
131.04918	23.2
131.08594	3.5
133.06494	29.8
134.03600	4.8
135.04498	3.1
137.05922	3.7
139.03920	3.1
145.06461	4.4
147.04404	7.5
147.08038	5.9
149.05946	38.2
153.05408	3.7
157.10139	3.0
157.27425	3.2
161.05968	12.1
163.03883	5.0
163.07564	3.1
165.05681	4.0
175.07516	15.2
177.05444	100.0
178.06261	3.0
179.06961	8.3
189.05432	12.0
191.06952	3.5
196.34549	3.0
203.07054	15.6
207.06496	3.8
215.06830	3.4
217.12170	4.3
219.06512	8.7
233.07953	5.2
235.13242	13.7
245.11734	4.6
252.52052	3.0
256.26013	3.0
263.12729	27.3
290.91791	2.8
325.10559	3.6
401.12277	4.2
410.13354	5.6
423.67377	3.3
451.15894	5.5
466.14655	4.1
474.88470	3.4
481.05960	3.1
551.18652	3.7
617.23749	6.2
635.20972	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
61.18872	1.4
62.34950	1.3
67.13745	1.5
77.19205	1.4
79.90710	1.5
80.05032	1.7
91.05460	2.8
92.36245	1.5
93.07033	6.5
94.06567	7.8
95.04939	1.7
95.07336	8.4
95.08564	1.6
96.08121	13.9
100.73893	1.5
103.05473	2.1
108.08112	7.3
110.09658	29.5
119.62032	1.7
120.08094	21.1
122.06027	5.4
122.09667	2.4
124.07678	2.1
136.07570	8.2
138.09129	100.0
140.10745	1.7
148.07568	2.4
164.07060	9.5
166.08601	6.6
174.09203	2.8
175.08560	2.3
177.06592	3.2
181.09651	9.2
188.06982	2.2
191.08167	7.4
202.08614	5.3
207.86769	1.8
220.09691	3.2
230.08199	3.7
245.09207	2.6
248.09190	3.7
261.08646	6.2
263.10254	1.8
272.09311	2.1
285.79092	1.9
305.11014	2.3
307.12875	4.3
333.10870	2.8
386.53363	2.0
398.17383	2.4
452.18234	3.5
454.19708	2.9
470.18997	10.9
472.20676	2.1
589.26428	4.5
617.25629	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56167	1.8
91.05447	2.6
93.07042	6.9
93.25728	2.4
94.06556	7.0
95.07338	9.2
96.08114	21.5
98.06039	2.2
108.08105	16.9
110.09667	32.0
110.16630	2.2
116.77931	2.2
120.08099	20.7
121.08875	2.9
122.06047	6.7
122.09655	6.5
131.07312	3.2
136.07593	7.8
138.09135	100.0
146.09618	4.5
150.09125	12.9
158.26880	3.0
164.07080	14.8
166.08641	4.9
174.09196	9.6
177.06544	3.1
181.09698	9.8
191.08180	9.1
192.10341	2.9
202.08783	4.0
204.06425	2.8
217.09766	3.8
220.09750	4.7
230.08173	3.3
245.04408	2.8
248.09282	3.5
261.08673	34.1
272.09323	2.9
285.08624	3.4
287.10284	4.7
307.12979	5.7
313.08121	3.5
331.09171	3.7
366.82666	3.6
398.17032	6.5
406.17224	4.3
434.16910	4.8
452.17908	3.6
454.19708	3.3
470.19238	9.5
472.20367	3.0
480.17709	9.8
571.25031	5.1
589.26312	5.9
617.25879	10.4
635.25909	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2706
Annotation	3-Hydroxyethylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
50.32249	2.1
51.54266	1.6
52.17360	2.0
63.01993	1.9
65.10888	2.2
91.05466	4.4
93.07043	6.8
94.06547	8.0
95.07335	9.5
96.08128	15.5
98.06087	3.0
104.29270	2.1
108.08121	9.8
110.09660	27.8
120.08104	22.6
121.08876	4.0
122.06036	7.4
122.09676	2.5
136.07567	4.9
136.35138	2.3
138.09129	100.0
146.09613	3.4
150.09128	3.0
162.86066	3.1
164.07063	10.5
166.08661	5.2
174.09143	6.6
177.06546	2.4
181.09740	4.3
191.08133	8.4
202.08633	5.2
209.80334	2.2
220.09639	3.2
242.61699	2.4
245.09003	2.8
261.08682	16.4
263.10275	2.5
305.11200	3.8
307.12827	3.7
308.98779	3.0
365.14108	2.7
398.17087	4.8
452.18015	5.3
454.19897	4.1
470.19284	12.6
472.20758	3.7
480.17484	6.3
607.26898	4.0
617.25323	7.3
632.40948	2.8
635.26227	4.1
642.16583	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	635.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
67.19291	7.2
72.41397	7.7
75.91333	8.0
90.57699	7.6
97.34022	7.2
103.86858	7.9
249.64839	9.7
407.22427	9.9
635.30548	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81714	15.9
57.07059	30.1
64.22956	15.7
66.87800	15.2
70.06585	100.0
79.05441	22.7
97.25468	15.2
98.09675	29.8
112.08676	39.8
114.10328	27.7
148.97214	16.4
172.95326	17.6
269.15417	30.1
359.24442	26.4
591.38757	76.0
604.49567	21.5
635.24060	22.4
635.37878	38.9
639.02979	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	635.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51172	3.8
57.65186	3.3
61.94509	3.7
72.71975	3.9
88.56069	3.8
132.32077	4.2
169.61397	5.2
201.37639	5.6
220.30762	4.4
336.22964	4.7
349.97168	5.0
391.13770	5.0
393.31180	4.8
448.98257	5.2
635.31024	6.7
635.41351	100.0
636.75012	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	635.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
64.84019	7.2
67.05473	9.2
79.05465	8.9
79.05955	7.2
81.07033	19.7
91.05402	6.3
91.85113	9.2
93.07010	8.5
95.08569	7.1
113.94976	8.2
121.10104	7.4
228.71881	7.5
291.19333	11.3
372.10229	8.1
415.19678	8.4
432.65265	9.3
627.52661	9.2
635.41754	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89582	2.8
52.63994	3.2
77.82407	3.3
100.64401	3.2
103.37041	3.0
117.38765	3.1
226.46126	3.5
635.43359	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32075	7.5
65.50210	10.0
67.05486	31.8
67.16438	8.0
73.16740	9.0
74.71014	8.7
81.07036	26.3
84.18472	8.9
89.84177	9.3
91.05468	18.7
93.07041	12.3
95.08588	26.3
107.08627	13.2
114.72293	8.8
125.19037	8.6
130.76865	9.2
145.10086	8.9
167.07138	10.0
179.92096	9.7
272.36340	10.0
370.86371	11.0
508.96939	10.8
635.45337	100.0
643.34467	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	635.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78164	7.9
53.90488	7.5
55.05505	17.7
55.06849	7.1
57.06417	7.6
67.05496	100.0
69.07047	16.0
70.89293	7.4
79.05471	31.3
81.07052	94.9
83.08614	23.8
83.62672	8.7
91.05471	33.8
93.07027	49.8
95.08605	85.3
97.06548	13.3
97.10172	11.6
101.92963	8.1
105.07040	16.2
107.08598	26.0
109.10149	43.3
119.08590	11.2
121.10140	29.1
123.11720	13.8
131.08591	17.0
133.10152	25.1
135.11710	20.8
137.09496	10.9
139.22893	7.6
145.10060	8.7
147.11664	9.3
159.64819	8.0
160.19130	9.1
228.93263	9.9
248.38890	9.4
251.20102	11.6
294.12079	9.9
367.24988	52.7
391.59991	9.9
503.03271	10.0
575.43109	12.1
635.38794	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	17.0
67.05170	8.0
67.05499	100.0
69.07063	17.8
71.08631	4.5
79.05478	29.6
80.76678	4.8
81.07052	87.3
81.29681	4.9
83.08607	15.3
85.16271	5.0
88.34444	4.9
91.05481	22.6
93.07022	36.7
95.04971	7.0
95.06064	4.9
95.08600	67.1
97.06525	6.9
97.10163	10.1
105.07011	14.8
107.08638	24.3
109.10154	27.7
109.52512	4.4
119.08594	8.1
121.10131	30.1
123.11754	10.1
131.08612	7.1
133.10159	15.0
135.11699	17.5
135.82965	5.2
145.10202	7.2
149.13232	6.6
215.17892	9.0
233.19212	5.9
251.20064	14.9
277.27200	5.3
319.04440	6.1
334.33658	6.4
367.24866	46.7
512.14496	6.0
575.43170	17.6
635.42938	15.8
644.79572	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	635.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	2.5
55.05504	21.9
65.03937	2.9
67.05496	100.0
69.03383	3.8
69.07060	23.6
70.98814	2.8
71.04990	3.8
79.05488	38.0
81.07047	99.1
83.08601	17.0
85.06537	4.1
85.25575	2.8
91.05485	31.3
93.07039	54.7
95.04964	4.3
95.08601	86.6
97.06542	13.8
97.10161	10.3
105.07035	16.2
107.08582	26.9
109.10147	37.8
111.08046	7.0
113.08681	2.8
117.07013	3.4
118.53534	3.3
119.08578	12.1
120.03230	2.9
121.10117	32.2
123.11694	16.6
131.08556	6.1
133.10144	20.9
135.11696	18.5
135.12534	3.0
137.09621	5.8
137.13271	3.9
138.96698	3.1
145.10149	9.0
147.11667	5.8
149.13268	7.9
151.11189	5.7
159.11740	3.8
173.13313	5.2
183.07982	3.1
194.05249	3.5
204.26506	3.3
215.18005	11.3
224.59082	3.1
233.18893	5.8
251.20102	13.8
266.76077	3.8
307.22595	4.9
318.45258	3.2
324.01144	3.4
367.24786	47.2
575.43195	16.6
635.45483	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	636.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	21.7
70.06578	7.9
81.03404	21.1
85.06532	10.9
91.05456	12.0
91.71075	9.6
93.06971	8.7
95.04930	9.9
100.16221	6.7
100.65843	7.2
102.35415	7.1
109.06577	8.4
115.05442	15.5
128.06230	7.8
129.06953	10.3
131.04977	13.3
135.04401	100.0
145.06462	10.2
149.02393	8.3
155.82568	10.3
161.05977	11.2
173.06023	15.2
177.05524	8.9
179.42526	7.3
185.05946	13.0
187.07574	13.7
199.11220	9.8
203.07072	16.4
231.13795	16.7
231.91002	9.3
245.11763	27.1
308.10419	10.3
372.49655	11.0
491.60858	8.7
642.50079	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	637.1775
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
52.81519	1.1
53.03928	2.8
53.80731	1.0
53.83978	1.3
57.03404	1.6
67.05511	1.6
69.03424	8.2
70.06590	2.0
71.04984	11.2
72.78432	1.3
75.07763	1.3
81.03414	12.4
81.07053	1.7
83.02034	1.3
83.04970	1.4
85.02895	14.5
94.06578	3.2
95.04934	1.7
95.07321	1.4
96.08121	2.5
97.02844	3.4
99.04475	2.3
100.14369	1.5
108.08143	2.7
109.02878	9.4
110.09686	6.0
111.04372	1.4
117.37519	1.5
120.08106	5.5
121.02916	2.3
121.08407	2.4
124.07613	1.9
124.85701	1.4
127.03924	6.9
134.29178	1.4
136.07602	1.8
138.09140	18.7
139.09476	6.2
140.09653	1.3
147.04364	1.5
153.01964	1.8
164.07117	2.7
166.08662	1.8
181.61430	1.4
185.62724	1.4
186.94456	1.4
187.06006	7.1
201.06682	1.8
202.07339	1.9
203.08124	3.0
204.06595	1.9
217.09747	2.3
245.09019	1.5
257.09229	4.3
261.08685	21.4
262.09058	2.2
262.81296	1.7
263.10172	1.8
285.08771	5.2
285.12143	3.6
287.05463	100.0
288.05774	1.9
305.11331	4.0
313.08212	2.9
331.09247	6.0
398.17020	6.4
406.17593	2.7
435.62491	1.8
452.18033	3.2
468.17657	6.3
471.20145	2.0
482.19202	3.2
606.57227	1.9
619.26746	2.4
637.28424	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	637.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16359	8.7
53.25927	10.9
57.07063	85.5
61.05272	8.3
65.17335	10.5
76.46883	8.8
76.81462	9.0
79.05480	20.8
81.07040	13.6
81.17675	8.7
85.06537	41.1
91.05469	45.5
95.04945	14.1
95.08629	12.2
96.93651	12.2
97.02876	32.4
103.05468	30.2
105.07035	12.9
106.04180	21.1
107.04903	24.3
107.08594	18.2
117.06979	19.0
119.08593	15.2
120.05719	13.2
129.06960	14.1
131.04903	14.7
135.04411	14.7
137.05992	30.3
137.09641	13.1
145.06483	15.6
145.22064	10.2
147.04453	23.8
147.08022	20.6
149.02245	11.9
149.05991	27.3
167.83617	12.5
177.05496	100.0
185.62277	11.1
189.05597	16.3
193.04866	16.4
203.14238	27.8
231.13878	20.8
246.09001	11.6
249.14894	33.7
339.58939	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	637.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06288	4.5
55.59512	4.7
56.83385	4.9
57.07076	39.5
60.04507	6.7
61.90638	4.5
65.03919	6.3
68.92973	5.8
77.34241	5.8
78.58144	5.8
79.05473	20.3
81.07022	10.7
85.06559	8.7
91.05476	35.6
91.71049	8.2
93.07050	8.7
95.04958	18.4
103.05478	13.4
103.90902	5.9
105.03385	8.2
105.07022	8.7
107.04930	15.0
117.07019	6.5
118.04099	9.4
119.04935	12.5
119.08545	6.3
120.02087	13.3
123.04424	7.0
128.06198	13.0
129.06993	23.6
129.27725	7.0
131.04922	12.6
131.08598	7.3
132.05734	6.8
132.08167	6.6
133.02850	21.1
133.06477	7.1
135.04433	32.9
137.05966	10.9
143.08559	10.7
145.06444	9.0
146.03639	47.1
147.04411	24.3
149.05966	14.9
151.03917	9.7
153.05467	43.0
155.08540	14.6
157.06531	13.9
159.90327	6.5
160.05197	9.4
161.02362	14.5
161.05986	8.2
162.03070	6.9
163.03879	100.0
165.05467	53.4
166.06319	8.8
167.03412	10.4
167.07051	11.2
171.08125	14.4
177.05455	69.5
178.06252	71.3
179.07042	14.0
189.05478	9.8
191.03429	22.6
191.07112	9.0
193.04974	28.6
198.06808	9.5
203.14206	9.1
213.12898	6.5
219.13940	8.3
241.12262	25.4
249.14781	10.4
253.12177	10.1
267.13980	12.1
275.10962	8.4
337.07022	12.2
357.09473	8.1
369.09778	33.0
387.10770	14.8
396.97647	7.5
405.16852	15.2
423.18161	8.6
575.75354	7.4
601.24237	58.3
619.24921	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	637.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20341	15.4
57.07058	68.7
66.51428	17.0
79.05488	18.3
81.07040	27.4
85.06546	50.2
91.05461	53.2
95.04984	23.5
97.02853	35.1
103.05458	32.6
105.07027	36.7
115.88684	18.3
121.06471	29.9
131.04887	31.1
137.05888	23.6
142.50761	24.7
147.08061	29.2
149.05965	56.9
153.05458	40.1
172.06337	18.4
173.05898	23.8
177.05484	100.0
191.07085	32.0
203.14275	32.1
247.13379	30.0
249.14764	26.5
290.42413	23.1
403.30261	21.6
619.61066	27.5
634.56116	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
61.90664	12.0
68.49526	10.6
70.66516	12.5
81.07047	15.2
91.71041	26.7
93.07050	11.4
145.22044	11.7
181.90143	12.4
202.65744	12.5
395.19016	15.6
586.80176	18.9
637.26361	100.0
655.04974	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06745	2.6
55.05511	22.8
57.07076	26.4
60.28782	2.8
62.02715	2.8
67.05495	20.1
69.07044	20.9
71.08633	6.8
73.50146	2.9
79.05474	9.3
79.45431	2.8
81.07042	17.1
83.08612	13.0
85.10196	5.9
91.05465	10.6
91.71043	4.3
93.07029	13.3
95.08607	20.2
97.10177	7.3
97.25585	3.2
105.07021	4.2
107.08582	7.4
109.10178	6.8
119.08598	6.4
121.10162	6.7
131.08589	3.9
135.11679	4.3
143.08540	4.5
145.10141	4.2
147.11606	3.7
153.18680	3.7
162.05385	4.7
165.07027	5.4
169.06491	4.9
187.91788	3.6
193.07683	4.7
195.09183	10.0
196.09970	10.6
197.06006	12.7
197.10803	4.4
207.04401	5.3
207.09186	8.8
208.10001	5.6
209.10768	11.7
210.11577	12.6
211.07591	11.1
211.12305	6.6
213.05505	5.9
223.04092	5.5
223.07416	6.2
223.08784	6.7
223.12332	6.5
224.09410	26.1
224.12906	6.6
225.05521	16.4
225.10246	7.6
225.13878	14.8
227.03391	6.4
234.34837	3.8
236.09361	7.7
237.05487	5.7
237.10382	4.4
239.07103	9.3
241.04897	31.0
247.07484	4.1
249.05365	7.8
251.03400	16.0
251.07309	8.7
251.12032	8.2
252.08885	4.4
253.04996	9.4
253.13278	37.1
255.11403	6.8
256.11969	8.5
263.07324	6.3
264.09036	7.4
265.08795	14.5
267.06750	6.2
269.04428	34.2
275.06931	4.8
279.06610	13.7
279.11060	11.7
281.04626	3.6
281.08652	7.6
281.13098	4.6
286.35172	4.6
289.08560	3.9
289.12210	3.8
291.07706	10.6
293.08179	8.6
297.12463	6.6
303.10147	4.2
310.09329	7.7
325.11932	6.4
335.25998	4.6
351.09842	26.7
369.10791	48.2
419.22192	8.6
437.23312	74.4
455.24402	19.2
517.22430	10.9
573.21576	4.5
577.24670	41.8
605.23926	83.3
619.43805	17.4
637.27148	21.4
637.44495	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	6.8
56.88681	4.0
62.98755	3.9
63.44526	3.9
69.17249	3.9
84.72137	4.8
91.05495	6.5
91.71587	6.3
93.07046	8.8
94.06542	11.5
108.08119	8.8
110.09725	7.6
117.58363	5.1
118.36277	5.5
119.04987	6.0
120.08121	5.9
122.06003	49.6
135.37648	5.9
136.07588	35.6
138.09135	44.3
140.07112	7.5
145.63232	5.3
162.05547	5.5
164.07045	100.0
164.08348	6.4
164.10725	6.9
173.44400	5.6
174.09175	18.0
177.06487	6.5
181.09756	21.5
188.07115	7.4
191.08153	30.6
192.10107	9.2
200.07056	7.4
201.06601	6.8
202.08641	18.2
203.08182	39.8
204.06554	21.2
213.10208	7.6
217.09750	23.5
219.03267	4.7
229.06061	15.1
230.08055	11.5
235.10851	7.3
243.07661	8.7
244.09572	6.0
245.09201	56.0
246.07573	10.4
248.09100	12.6
257.09070	6.3
257.12973	6.7
259.10803	7.3
261.08658	38.0
263.10208	45.1
271.07281	16.4
272.09091	5.8
275.13959	7.1
275.69388	5.4
275.72943	5.2
277.11826	6.1
287.10239	36.7
289.11960	8.2
301.11810	41.1
305.11252	61.9
307.12915	15.5
366.18286	14.2
404.75961	6.6
406.17618	6.5
420.19321	10.7
426.20380	39.6
434.17114	7.5
438.20197	9.6
444.21411	31.4
450.16376	10.6
452.17981	51.7
468.17654	18.0
470.19312	45.1
471.19473	5.7
482.19104	8.1
571.25372	10.4
589.26416	65.0
607.27527	38.3
619.26929	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	637.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58087	1.9
63.51595	2.4
88.79722	2.8
105.31944	2.4
122.06043	3.9
136.07507	3.3
138.09164	3.3
164.07120	4.6
200.09415	2.7
201.06526	4.1
202.07399	10.4
217.09744	12.6
233.09296	7.7
257.09155	20.3
261.08682	100.0
285.08701	24.2
285.11865	5.5
287.10229	4.4
301.11755	9.2
313.08133	20.5
331.09207	28.0
398.17032	46.0
406.17703	8.8
452.18161	9.9
468.17654	28.5
482.18817	5.4
521.79395	3.4
589.26495	9.0
619.27509	8.0
642.82660	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	637.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26910	15.1
55.37713	16.6
59.91220	15.4
63.89693	14.8
69.39462	16.6
78.54265	17.7
86.79359	19.5
91.05492	26.6
93.07037	53.8
101.46528	18.2
122.05989	50.5
130.50786	20.3
136.07617	31.4
138.09196	27.4
140.23982	19.6
164.07092	100.0
174.09203	30.7
181.09720	41.7
200.67223	18.8
203.08194	67.0
211.53622	24.3
245.09277	65.9
259.47198	25.5
263.10391	46.1
287.10251	41.3
301.11856	28.3
305.11395	64.3
426.20264	39.1
444.20932	25.4
470.19089	35.8
526.14520	23.0
589.26648	54.9
607.27667	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93694	5.8
52.40595	5.8
55.01870	7.1
67.05498	13.5
70.93607	6.3
82.74977	7.2
93.07030	10.9
94.06551	13.5
98.88891	6.7
99.99510	6.9
108.08110	22.0
109.58618	7.1
122.06005	58.0
136.07591	62.9
138.09137	47.7
138.47853	8.5
140.07063	12.6
142.31070	7.7
164.07065	100.0
169.21695	8.7
174.09157	22.4
177.06557	10.8
181.09721	28.9
191.08081	37.3
201.06577	10.5
202.08665	24.2
203.08131	51.8
204.06609	30.3
217.09731	30.3
229.06142	23.7
230.08139	18.4
241.09633	12.0
243.07733	10.6
245.09166	65.4
246.07639	14.2
248.09024	9.4
257.12701	11.3
259.10757	17.4
261.08661	38.2
263.10294	65.2
269.09381	9.4
271.01694	9.6
271.07077	11.4
273.12051	8.6
287.10385	48.2
289.08127	14.6
301.11743	78.2
305.11374	77.5
307.12851	14.7
313.08463	13.0
316.56247	8.7
329.93936	8.7
353.69620	9.3
366.18289	9.5
384.31464	10.5
406.17804	15.4
426.20200	32.0
438.20248	15.7
444.21353	28.0
450.16669	15.9
452.18381	45.6
468.17514	26.6
470.19043	38.9
589.26678	94.8
607.27472	42.2
619.27240	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	637.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
76.67215	4.0
76.72015	3.0
84.82751	3.4
91.71634	4.8
99.20586	3.1
115.65273	3.3
117.60865	3.5
121.24142	3.4
132.05983	3.6
133.73155	3.5
164.07182	4.3
200.33327	3.9
200.80331	3.8
202.07358	8.6
217.09920	8.6
233.09346	7.3
257.09256	13.2
261.08682	100.0
285.08771	20.5
305.11298	7.4
313.08386	14.1
331.09384	14.3
378.18210	4.7
398.17047	24.1
406.17581	28.4
408.19193	6.6
410.35895	5.1
436.18823	15.5
468.17609	10.9
482.19016	30.8
484.53870	4.4
619.27545	43.2
649.28680	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	637.287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22347	0.8
57.18877	0.8
71.82838	0.7
79.71520	0.9
85.56813	0.9
90.73668	0.7
99.63275	0.9
122.06030	1.2
126.58901	0.7
136.07590	0.9
147.04480	1.5
187.08589	1.1
189.10294	1.8
201.06584	2.4
202.07359	11.3
211.08624	0.9
212.09477	1.5
213.10208	2.7
215.08119	1.3
217.09723	10.0
233.09195	7.4
241.09792	1.3
257.09198	21.2
261.08682	100.0
262.08987	1.4
285.08673	23.5
285.11911	1.2
287.10370	1.3
301.11826	1.7
305.42661	0.9
312.47705	1.0
313.08142	20.9
331.09210	30.1
332.09735	0.9
368.89960	0.8
385.92880	0.8
398.17056	36.7
406.17676	2.4
408.19379	1.7
452.18073	3.2
468.17661	27.1
482.19257	3.3
524.44067	1.0
589.25867	1.8
619.27258	6.7
637.28540	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	637.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57293	2.3
52.16964	1.9
55.01850	2.2
57.06840	2.3
57.07068	31.0
57.14224	2.3
67.05489	6.2
70.06583	100.0
72.08154	16.1
79.05470	15.1
80.63367	2.2
81.07060	6.4
82.46710	2.4
83.04992	3.2
84.08121	3.7
85.06518	9.9
85.07702	2.7
86.94254	2.5
91.05468	11.5
93.07059	6.5
95.04938	6.1
95.08565	2.5
97.07648	8.0
98.09685	24.2
103.05505	6.1
105.07030	11.7
106.06544	3.3
107.05003	3.0
107.08546	4.7
112.08723	24.0
114.10288	22.5
117.06992	3.1
119.08588	5.2
122.09658	3.3
124.05071	6.5
124.07581	6.6
125.09612	3.3
128.06261	3.1
129.06999	9.8
131.04950	6.0
133.06523	4.7
137.09589	15.2
140.11827	7.3
141.06961	3.7
143.08556	7.7
145.06493	2.9
147.08051	4.5
149.05983	4.9
150.09135	9.8
150.21071	2.8
155.08530	3.7
165.07014	3.6
166.09798	13.1
166.11000	2.8
167.06998	3.7
169.10150	3.4
177.05452	29.5
187.11198	8.5
189.12718	13.0
197.09358	3.4
239.14487	3.0
245.15428	3.5
246.15009	4.1
300.19562	4.4
309.18695	3.5
328.71088	3.3
342.21771	3.7
359.24380	21.9
369.17227	3.0
395.25821	16.1
593.40570	67.1
637.39612	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23371	10.9
67.05520	18.1
67.64051	13.5
81.07044	31.1
95.08605	19.6
194.76131	16.0
215.26749	15.3
219.17206	15.8
300.39066	15.8
316.68179	15.4
451.52759	17.3
637.39526	100.0
654.13647	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	637.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58419	8.9
54.13371	8.9
60.08383	8.4
60.85373	10.1
67.05492	18.9
68.88133	9.6
91.96801	10.3
120.65683	11.8
151.99382	10.5
231.99950	11.6
245.24084	12.8
378.58691	13.5
481.75778	13.4
506.67160	13.6
634.94196	15.0
637.40051	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	17.3
57.07062	22.7
63.50229	6.4
65.59373	6.9
67.05470	10.6
68.66980	7.4
69.07050	18.9
81.07041	10.3
85.01486	8.1
105.65297	8.5
107.08543	8.9
157.03827	8.6
166.80322	8.1
194.78827	9.6
197.06171	10.7
197.56406	8.9
223.04025	9.7
225.05400	11.8
239.06940	16.5
241.04965	19.0
251.07033	10.6
265.08517	22.2
269.04523	24.4
275.07162	10.8
391.84329	9.4
437.23151	54.2
455.24475	10.1
619.42773	12.4
637.44421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20345	4.8
55.05492	29.6
57.07064	22.4
58.44472	5.4
60.32089	5.9
67.05492	18.0
68.99771	5.0
69.07059	24.6
71.08628	14.1
72.09763	4.9
79.05470	7.1
81.07056	25.9
81.42220	5.8
83.08588	12.5
90.29637	5.2
91.71094	6.1
93.07071	7.0
95.08601	20.2
106.59107	5.6
107.08575	6.5
109.10159	7.7
119.08590	7.4
135.11649	6.0
145.10130	7.2
184.64085	6.6
190.16916	6.1
196.10036	8.3
207.04456	7.8
211.07558	18.2
213.05426	10.4
221.06017	9.6
223.03754	8.9
224.09521	13.0
225.05495	19.8
225.10368	7.0
227.03500	7.9
239.07059	19.6
241.04903	33.2
241.43947	7.6
249.05545	7.6
251.03459	13.1
251.07080	14.6
253.04961	9.8
253.13313	7.7
255.06404	11.5
263.06982	9.5
265.08548	15.3
267.06549	12.9
269.04510	27.1
277.08603	10.8
279.06665	12.9
281.08081	12.6
293.08060	8.7
351.09583	8.5
369.10876	13.3
419.22086	10.5
437.23087	90.9
455.24426	22.6
577.24432	15.9
601.43097	9.7
605.24042	39.7
619.43683	26.1
637.26459	11.9
637.44745	100.0
662.82623	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	637.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64538	3.6
53.59945	3.5
54.23283	3.9
55.05506	26.0
56.33128	3.9
57.07066	31.6
67.05494	8.5
69.07051	23.1
71.08617	10.5
81.07030	13.8
83.08612	10.1
85.10152	4.7
91.71032	6.1
95.08617	16.5
97.30285	5.6
118.18522	5.4
141.06995	5.5
141.88159	5.9
173.48940	5.1
185.05930	5.4
195.08031	6.8
196.92311	4.7
197.06003	18.7
211.07487	7.3
213.05455	10.8
221.06035	9.2
223.03915	7.0
223.07468	9.5
225.05467	20.3
227.03336	6.4
235.04210	5.3
239.06940	12.3
241.04979	37.2
244.20792	5.4
249.05525	12.1
251.03394	17.8
251.07047	15.6
253.04990	14.5
255.06516	10.9
263.07037	9.6
265.08612	10.8
267.06439	12.1
269.04440	30.5
275.06934	8.5
277.08615	7.7
279.06583	13.9
279.10022	5.6
281.07938	9.6
288.96500	5.9
303.10220	10.5
313.49280	5.5
401.20715	6.8
415.13974	6.0
419.22101	12.3
437.23163	100.0
455.24374	27.3
586.82495	6.5
619.43616	20.3
637.44586	99.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	35.3
57.07066	30.0
59.22706	4.8
63.44153	4.5
66.14146	4.6
67.05494	7.7
69.07061	21.1
71.08614	17.4
79.29326	4.5
81.07032	11.9
83.08610	12.8
93.07056	5.7
94.63011	5.8
95.08607	10.6
97.10146	8.6
103.85706	5.6
109.10152	7.0
111.32457	5.5
149.75000	5.7
207.04346	5.9
207.08110	8.3
209.53256	6.3
211.07549	7.6
213.05540	10.1
217.52728	6.0
221.05981	7.7
223.07541	7.3
225.05458	22.1
227.03459	8.8
237.05440	6.3
237.09119	8.0
239.07014	16.1
241.04939	42.3
247.07523	5.8
249.05478	6.8
249.09273	7.7
251.03326	22.1
251.07141	12.3
253.08807	7.7
255.06708	10.6
261.05518	8.6
263.07022	14.0
265.08447	11.7
267.06543	17.5
269.04456	32.6
279.06616	13.3
279.10104	7.3
291.10001	8.7
292.45386	6.3
295.09811	8.0
378.75162	6.5
419.22363	15.1
437.23181	94.1
455.24347	29.3
463.98080	6.7
601.42786	10.6
619.43591	27.1
637.44635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
62.85414	57.7
68.14831	58.5
78.44377	63.8
85.57714	75.7
91.23328	71.8
95.15587	71.9
221.74934	73.4
222.66638	76.4
272.27811	75.1
338.04446	77.4
417.50473	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	10.1
57.50148	7.3
61.88237	6.5
66.37189	6.8
69.07056	8.0
69.42749	5.9
81.07063	8.7
86.55643	7.4
95.08618	8.4
98.09778	6.9
103.83956	6.2
111.41872	7.4
121.10068	8.7
140.07292	7.7
147.30615	6.9
309.20413	8.7
340.04004	9.8
345.37683	7.9
370.81757	8.1
465.94611	10.0
619.41895	9.4
637.46893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69646	6.0
55.05500	20.8
58.44206	6.1
59.80368	6.1
67.04475	6.0
67.05496	70.6
69.07058	24.9
79.05489	17.5
80.53294	6.9
81.07046	100.0
83.08594	17.8
91.05476	28.0
93.07033	32.6
95.04964	7.1
95.08605	61.4
97.10130	9.2
105.07035	14.5
106.31586	7.8
107.08601	28.6
109.10144	34.9
119.08602	9.2
121.10151	23.1
123.11698	10.9
131.08563	11.9
133.10114	9.6
135.11702	20.7
143.53595	8.1
145.10164	9.3
159.45477	7.9
202.31892	7.6
215.18001	11.7
251.20158	10.5
446.31030	7.5
463.20776	7.9
485.39890	14.5
559.43634	13.8
577.44629	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	637.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40417	4.0
55.01877	4.2
55.05509	33.2
67.05495	80.3
69.07071	41.1
73.19479	4.3
79.05469	19.2
81.07047	100.0
83.08610	26.9
91.05472	24.0
93.07024	34.5
95.08595	76.5
95.09148	6.2
97.06516	9.3
97.10166	12.7
104.44450	4.8
105.07037	11.1
107.08582	16.7
109.10177	32.7
111.08094	6.1
117.05521	14.7
119.08552	15.3
121.10138	23.8
123.11731	13.2
125.80074	5.7
131.08557	5.8
131.57689	6.0
133.10129	20.5
135.11710	16.0
145.10124	7.5
147.11711	8.5
151.11237	6.0
212.08202	5.4
215.17952	5.9
233.18918	6.6
235.20917	5.9
251.20097	8.7
309.24203	34.1
323.97845	6.2
367.24905	7.2
474.81812	6.8
559.43066	8.2
577.44720	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	637.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40968	2.9
55.05291	2.8
55.05504	35.4
57.03418	8.9
57.07059	6.2
57.24850	2.8
64.35236	3.4
65.03945	3.1
67.05495	91.1
69.07058	54.1
77.40676	2.8
79.05486	33.3
81.07049	100.0
83.08617	32.8
85.06527	8.3
91.05466	28.4
93.07035	45.4
95.08600	82.4
96.43780	3.2
97.06520	8.1
97.10195	19.4
105.07034	19.4
105.07690	3.2
107.08578	24.6
109.10147	41.4
111.08109	7.7
111.11679	4.3
117.05495	20.7
119.08544	18.5
121.10144	32.0
123.08071	5.5
123.11692	14.7
131.08563	3.9
133.10167	17.9
135.11649	18.8
135.38469	3.4
137.09674	4.0
143.06816	3.3
147.11693	10.3
149.13274	6.8
151.11153	5.8
153.12727	4.2
161.13263	5.9
198.14816	3.6
215.17975	6.1
217.19527	8.2
233.19008	5.4
251.20047	8.8
255.55064	3.6
289.71780	4.4
307.22687	5.5
309.24112	35.3
325.23743	10.6
349.23666	4.5
367.24771	15.4
369.26218	6.3
388.90210	3.7
547.11194	4.5
559.43262	4.9
577.44543	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54018	1.4
55.44753	1.5
63.35673	1.5
64.35638	1.5
65.77794	1.4
72.33910	1.8
72.88022	1.4
75.19695	1.4
76.08228	1.5
79.91865	1.4
91.05470	100.0
91.71648	3.3
96.67516	1.6
101.54662	1.7
106.06539	3.5
132.08136	2.0
147.65424	1.7
181.10112	4.2
198.12764	60.0
267.41672	2.2
289.93503	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	638.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	13.8
61.02880	3.2
62.48933	3.3
63.39842	3.1
69.03419	83.3
73.02903	4.2
73.19225	3.8
75.04509	4.3
81.03394	6.9
84.04493	4.5
85.02897	69.9
87.04459	58.0
94.39484	4.0
97.02884	93.6
109.02859	4.3
115.03916	100.0
127.03930	11.3
129.38556	5.0
133.04959	70.7
137.05902	3.6
139.04037	4.6
145.04965	16.2
146.72993	4.2
149.22173	4.2
159.21411	3.8
163.06013	3.9
180.81227	4.2
237.42561	4.2
259.08295	6.3
277.09296	5.3
303.85431	4.0
308.81235	4.1
370.93472	5.3
455.50192	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	638.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30994	2.1
55.01854	3.4
57.07063	28.9
67.05489	9.1
67.93276	2.2
70.02902	2.4
70.06580	100.0
71.06914	8.5
72.08146	13.9
79.05486	13.0
80.05843	2.4
81.07028	9.0
83.04945	2.7
85.06516	14.3
89.09387	2.9
91.05476	16.6
93.07031	5.7
95.04959	8.9
96.04459	3.4
97.07648	4.6
98.09672	24.0
103.05467	19.2
105.03390	3.5
105.07016	11.2
106.04160	9.1
106.06565	2.7
107.04944	5.9
107.08562	2.6
109.06518	6.2
112.08698	14.2
114.10291	18.3
114.10983	2.6
117.03396	3.8
117.07035	6.3
118.04201	3.3
119.04935	4.0
119.08574	3.0
120.04729	2.5
121.06486	6.4
124.05077	3.6
124.07558	7.5
125.07862	2.7
129.07042	7.1
131.04933	14.7
131.08563	4.2
133.06516	5.6
135.04405	7.4
135.08022	4.4
137.06006	3.9
137.09616	11.4
139.07571	3.2
140.11761	4.8
143.08582	6.5
145.10216	3.3
147.04384	2.8
147.08015	5.6
149.05980	20.5
150.09148	9.3
150.10341	2.9
161.05933	3.6
166.09752	11.4
167.07004	3.2
175.07573	7.7
175.11249	3.6
177.05444	93.3
179.07008	4.5
187.11096	5.8
189.05406	4.9
189.12776	10.8
190.13165	2.4
191.08467	2.9
195.06560	4.1
201.12659	2.9
203.10757	3.2
227.14331	3.7
231.13823	7.2
245.15289	4.2
246.15790	4.6
250.25882	2.8
250.31050	3.1
285.18558	3.9
290.39749	3.8
300.19559	5.4
301.19620	3.4
359.24377	11.4
360.24707	7.8
371.11404	4.9
395.25858	7.0
396.25974	4.9
537.41742	3.3
570.01263	2.9
593.40930	17.2
594.31281	3.7
594.40900	43.9
612.66992	3.3
637.39484	12.5
638.39716	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	638.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00323	1.0
55.01870	2.2
55.05502	7.9
56.96096	1.0
57.03432	7.4
58.07846	1.0
59.04984	1.0
61.02927	3.6
69.03418	14.0
69.03729	1.3
71.04979	38.8
72.99200	1.1
73.02908	2.8
75.04481	6.2
79.40325	1.2
81.03431	5.6
83.04967	83.8
85.02892	100.0
86.06077	2.5
87.04507	3.7
95.04967	1.8
97.02880	13.9
99.04484	3.5
101.06002	2.1
104.05906	1.1
109.02922	5.2
109.06540	1.2
111.04427	35.2
112.60160	1.1
116.25104	1.1
127.03918	12.5
129.05470	35.0
138.99402	1.2
145.04942	8.9
147.06506	13.4
151.11243	1.3
163.06079	2.5
163.07404	1.6
163.11269	2.3
188.09262	3.2
213.07855	1.8
217.12277	1.7
221.29616	1.6
237.07671	4.3
255.08635	8.4
273.09729	5.5
309.11911	3.7
314.63739	1.4
316.54666	1.5
329.13690	1.5
382.57272	1.6
535.74933	1.5
544.96240	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	638.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14123	2.1
52.21391	2.1
55.05499	11.3
57.03426	11.2
59.54978	2.2
61.02917	2.7
65.20702	2.6
67.05489	21.7
67.14907	2.1
69.03403	5.5
69.07059	13.9
71.04612	6.2
71.04984	99.7
71.37940	2.3
75.04472	4.6
79.05486	5.9
81.07053	21.3
83.04960	14.4
83.08614	9.4
85.02899	100.0
86.06078	3.8
87.72068	2.5
91.05494	7.5
93.07038	9.9
94.32052	2.5
94.35994	3.0
95.04957	3.8
95.08603	34.9
97.02869	4.7
97.06487	3.2
107.08609	4.2
109.10089	3.1
111.04430	11.5
111.08062	5.8
117.86688	2.6
119.08580	3.8
121.10149	4.3
123.08044	4.5
123.11707	4.9
125.09641	4.6
129.05458	27.8
131.08545	3.3
132.47119	2.7
133.10101	3.4
135.11760	3.3
147.06476	10.7
149.13196	4.2
149.49574	3.1
159.10158	13.6
161.13164	3.0
164.09143	3.2
167.24977	2.7
170.33987	2.7
175.09634	6.2
189.11163	3.2
191.01477	2.9
195.13681	2.9
277.21597	28.7
283.83749	3.1
295.22702	24.8
404.26291	3.9
429.34369	2.9
440.93167	3.3
563.81494	3.8
586.30310	3.7
625.61633	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	639.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
123.04391	15.9
127.03899	100.0
139.03912	66.9
151.03926	23.8
167.03391	6.1
167.07022	58.2
175.03896	9.0
179.03418	24.9
203.03375	13.1
263.05380	12.0
275.05533	11.9
287.05441	29.7
299.05496	13.5
307.67905	7.4
317.06381	14.0
325.44522	7.2
401.95480	7.1
403.87979	6.9
451.57236	7.2
454.57388	8.0
542.83734	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	639.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	12.9
57.06849	8.4
57.07067	75.6
57.29597	8.7
67.05471	12.0
68.85020	10.6
75.09924	10.7
79.05487	25.2
81.07051	36.8
83.05009	12.9
85.06545	38.5
91.05463	75.3
91.71024	10.8
93.07024	21.1
95.04971	28.5
101.64572	10.7
103.05470	28.0
105.03399	18.6
105.07021	37.2
106.04161	19.9
107.04960	20.8
109.10891	9.9
117.07020	21.0
119.08587	37.1
125.06084	16.2
128.06174	14.9
129.06993	43.1
131.04947	28.2
135.04436	18.1
137.05981	29.0
137.09560	37.1
143.08574	14.7
145.06528	13.4
147.04419	14.7
147.08112	13.3
148.29517	12.0
148.84926	14.3
149.05972	38.5
153.05484	56.8
153.54317	11.1
161.05914	18.3
164.82030	11.2
177.05478	100.0
179.30496	11.7
191.07050	13.8
203.06947	16.6
203.14197	21.9
215.06937	14.2
215.14261	15.6
215.87135	13.9
219.10124	19.9
221.15248	26.2
231.13858	37.2
241.50296	14.3
249.14999	16.1
296.89957	15.4
301.27780	13.4
313.23627	15.9
315.24014	14.5
343.95123	14.2
358.75140	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	639.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00513	2.4
53.00296	3.5
55.01863	3.4
55.05507	42.0
55.74036	2.4
56.94969	2.6
57.03436	7.4
57.07071	16.4
67.05494	88.3
69.07060	49.2
71.08620	8.0
75.97778	2.7
78.48226	3.0
79.05476	26.5
81.07047	100.0
83.04993	3.2
83.08616	42.3
85.10185	3.8
91.05450	19.5
93.07027	33.9
95.04946	4.0
95.08596	78.7
97.06525	19.0
97.10172	19.5
105.07064	14.6
107.08583	29.4
109.10141	28.4
111.08080	9.1
111.11706	4.7
117.05469	24.0
119.08562	7.4
121.10137	30.6
123.11715	12.4
131.08571	8.4
133.10153	12.5
135.11639	20.7
137.13263	3.5
139.11165	6.2
145.10115	8.2
149.13258	13.2
151.11212	4.6
153.12791	3.4
168.71751	3.3
215.17981	8.8
219.21312	5.4
221.27513	3.2
233.19023	9.2
237.22221	12.2
251.20084	16.5
311.25748	32.7
325.23676	9.3
367.24896	17.1
371.27945	9.0
449.45847	3.5
505.42514	3.4
515.39209	3.7
538.54053	3.5
561.44922	3.3
579.45966	16.3
609.94440	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	639.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39202	21.8
55.05495	24.1
65.25890	22.1
67.05491	86.3
69.07064	25.8
81.07044	100.0
90.79725	25.9
91.05464	55.2
93.07018	32.0
95.08604	55.1
95.37296	24.3
98.19232	29.3
105.06999	43.3
121.10102	28.6
145.10117	32.2
148.57819	27.6
161.13142	28.4
245.40445	31.2
577.26477	31.1
638.58136	28.8
639.49872	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13361	4.7
57.03427	4.2
57.66653	4.6
58.33749	4.3
58.75928	4.2
59.39092	4.4
67.05524	6.3
69.03413	38.5
69.49156	4.2
83.17663	5.2
85.02898	31.5
85.23420	4.5
87.04511	10.3
87.48425	4.5
97.02918	22.0
102.51662	5.1
108.08111	100.0
108.08778	7.7
115.03972	7.1
117.85625	5.1
124.07617	12.8
134.06017	11.8
136.07594	43.6
136.90501	5.6
152.07040	71.5
167.54716	5.1
177.10245	5.8
184.09770	22.5
234.13568	6.3
267.93918	6.6
279.13010	5.8
314.12271	25.9
346.14938	69.7
478.19272	11.7
501.55728	6.0
507.76898	7.4
564.88513	6.6
640.24426	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15004	13.7
60.16340	15.5
63.48360	16.2
69.03404	80.1
69.75188	17.4
79.05809	16.4
82.44237	16.0
85.02904	100.0
87.04477	42.1
93.07394	18.2
97.02886	75.1
97.77444	16.8
115.03925	78.4
127.03931	20.2
133.04964	51.1
133.87932	21.6
140.86693	16.4
145.04968	36.4
199.42366	18.7
354.90955	22.3
385.37033	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	640.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18071	3.4
50.83504	3.3
53.03967	3.2
55.01883	3.2
56.96543	3.6
57.07069	26.9
73.61189	3.7
77.78211	3.7
79.05489	5.7
81.07050	6.0
83.05006	4.9
85.06553	13.3
91.05473	34.8
94.31715	3.8
95.05003	6.3
95.61346	3.9
103.05491	13.2
105.07056	8.9
107.04967	9.4
119.04959	40.8
121.06583	5.4
125.05986	4.1
129.07050	8.7
131.04922	20.4
133.06540	12.0
137.05965	100.0
137.06918	6.9
141.07071	8.2
145.06583	6.6
147.04469	12.1
149.06052	9.4
151.07608	15.6
153.05556	5.0
153.26611	4.4
161.05968	27.9
163.07616	7.8
167.95596	4.4
169.06470	4.8
175.07520	23.2
177.05542	15.7
179.07060	12.0
187.07614	7.3
193.06557	5.5
205.08534	5.5
205.10281	6.4
215.84999	4.5
227.07141	5.8
231.08000	5.0
233.09685	10.6
259.13452	7.9
267.10324	4.6
271.13113	4.9
275.11020	6.9
291.10141	5.6
293.11603	8.7
311.12646	5.4
345.15048	10.7
349.18088	10.9
377.17422	60.4
389.17505	6.1
395.18530	59.9
413.19565	6.6
640.40759	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	640.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.7
57.07070	43.1
59.42915	2.9
69.09440	3.0
81.03416	4.0
81.95937	3.3
85.06523	11.6
91.05466	17.0
94.04185	4.4
95.04957	8.0
103.05457	11.4
105.03291	3.8
107.04948	5.1
119.04958	19.4
121.21485	3.6
122.03683	3.7
131.04912	22.0
133.06488	5.0
135.04408	4.0
137.05968	100.0
141.06960	8.7
142.09174	3.4
149.05988	5.4
151.07571	11.1
157.06517	4.5
159.08020	4.5
161.05991	9.1
163.07545	14.1
169.06578	8.5
174.35684	4.2
175.07513	9.9
177.05464	4.8
187.07567	11.9
225.09137	6.8
229.08641	4.3
233.09657	8.0
247.89853	3.8
249.09161	4.0
253.12303	5.0
259.13284	10.4
265.12347	7.0
293.11664	7.9
311.12741	5.9
345.14923	10.3
349.18024	10.3
359.16431	6.6
377.17471	83.5
395.18494	75.9
413.19388	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	640.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02932	12.3
53.28001	10.2
55.01858	13.7
57.07071	35.2
57.55110	10.8
58.16138	12.3
60.27261	12.0
70.47795	12.0
79.05499	25.3
80.49426	12.9
91.01024	13.4
91.05502	29.4
93.07068	17.9
105.03409	13.5
106.04197	24.0
107.04992	20.5
133.06491	16.5
135.04482	18.3
137.05974	29.0
137.09586	24.3
143.34674	14.8
149.06067	28.5
167.07019	18.7
177.05479	100.0
195.06494	22.2
217.15892	25.3
227.66806	17.2
235.16872	21.4
366.36847	16.3
371.11450	31.9
621.05597	18.0
630.49829	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1706
Annotation	Laricitrin 3-rutinoside
Peak:m/z	Relative Intensity
52.17488	1.3
57.03403	2.2
57.39114	1.4
69.03419	2.0
71.04981	17.8
75.64764	1.6
81.83852	1.4
83.48884	1.7
85.02895	22.6
94.50211	1.8
97.02898	2.1
127.03988	2.0
129.05479	2.8
153.01819	4.0
167.03430	1.6
173.10204	1.8
217.04865	2.6
245.04510	2.6
273.03934	3.4
301.03558	3.6
317.06613	7.3
318.03741	6.4
333.06000	100.0
334.06137	2.7
443.10095	1.9
648.47388	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1711
Annotation	Laricitrin 3-rutinoside
Peak:m/z	Relative Intensity
52.95002	0.5
57.03398	0.9
61.02896	1.0
65.03986	0.5
69.03424	3.7
70.04672	0.5
71.04974	1.5
77.41514	0.5
79.19144	0.6
81.03395	2.1
85.02425	1.0
85.02892	10.5
97.02886	2.9
109.02880	1.0
111.00788	1.0
111.60925	0.5
127.03913	1.7
137.02319	1.1
139.03897	2.6
145.04976	1.4
153.01833	6.4
157.80133	0.6
164.86020	0.6
165.01836	2.1
167.03400	1.8
184.99332	0.6
217.04942	2.5
219.02838	1.4
244.03665	1.6
245.04407	2.2
273.03870	2.6
287.05273	1.1
289.03384	1.8
290.04291	1.1
301.03452	3.8
318.03754	8.3
320.16422	0.7
333.06009	100.0
334.06622	1.2
479.11954	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1711
Annotation	Isorhamnetin 3-glucosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
51.91064	0.8
57.03411	2.9
57.54141	0.8
61.02904	1.3
69.03413	4.8
70.06579	2.3
71.04977	21.0
75.04478	1.1
81.03413	2.9
81.22850	1.2
84.04493	1.8
84.08131	3.6
85.02895	32.2
85.88954	0.9
93.03390	1.4
94.35141	1.4
97.02892	5.2
99.04471	1.6
103.03917	1.3
107.04943	2.8
109.02913	1.9
121.02863	1.3
123.04346	1.2
127.03902	3.0
129.05453	2.7
129.10265	1.7
129.91447	1.3
131.63739	1.2
139.03905	1.9
153.01805	9.5
163.06055	1.3
165.01840	2.0
205.05078	1.5
217.04939	1.3
229.05057	3.0
233.07076	1.1
245.04495	3.0
246.05283	1.4
257.04556	1.6
273.04047	2.3
274.04742	3.0
277.07162	1.3
285.03970	3.6
301.03458	2.3
302.04105	9.2
317.06506	100.0
318.03592	3.5
318.06915	2.1
333.06015	53.6
448.82333	1.3
479.11816	7.1
495.11398	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	641.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18854	7.4
53.60250	6.9
74.31643	7.6
81.07063	12.2
91.70959	9.9
127.54151	9.4
136.56717	8.7
162.02614	9.5
250.82739	10.5
351.77365	11.0
461.19766	12.1
552.31268	14.2
641.29718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18854	7.4
53.60250	6.9
74.31643	7.6
81.07063	12.2
91.70959	9.9
127.54151	9.4
136.56717	8.7
162.02614	9.5
250.82739	10.5
351.77365	11.0
461.19766	12.1
552.31268	14.2
641.29718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2967
Annotation	Crooksiine
Peak:m/z	Relative Intensity
51.64630	14.7
61.14582	15.2
62.62458	14.4
62.71375	16.7
64.90331	15.3
69.69564	16.1
72.25571	15.6
91.71096	22.0
163.02029	17.1
495.57031	20.7
620.08398	21.3
641.29248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2967
Annotation	Crooksiine
Peak:m/z	Relative Intensity
50.14761	3.7
51.03667	4.2
56.86015	4.7
62.05254	4.1
66.71677	5.4
67.05519	6.7
84.17192	5.5
86.79119	5.9
112.46075	5.5
159.49574	5.1
161.12636	5.5
343.80063	5.5
387.89099	5.5
435.21817	6.7
449.19855	12.8
452.44925	6.1
521.25403	7.1
581.27698	16.3
588.67413	5.8
641.29553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24617	1.9
51.57874	2.0
51.60546	2.0
57.03434	11.4
61.02922	2.3
69.03424	48.3
69.03772	3.6
70.06554	2.7
71.39151	2.0
75.04495	3.5
84.04475	3.2
85.02898	40.2
85.03367	3.3
87.04458	28.4
91.05472	14.0
91.27898	2.8
95.04958	3.2
97.02884	37.8
115.03941	34.4
119.04984	6.2
127.03992	8.0
133.04984	26.8
145.05005	9.8
150.07701	4.1
151.07530	100.0
151.71834	2.9
163.06111	3.0
165.09135	6.7
169.08649	14.2
179.07092	5.9
193.08629	13.1
219.10381	2.7
235.09769	4.6
247.28978	2.8
265.10751	10.8
277.10818	6.3
295.11777	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	642.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	8.2
55.05500	2.9
57.03416	2.9
61.02921	3.8
67.05489	11.8
69.03423	3.4
70.06580	7.8
76.43161	2.3
79.05495	5.8
81.03400	24.5
81.07065	12.9
83.04961	3.4
85.02899	4.4
85.33405	2.7
89.86570	2.7
90.61943	2.5
91.05469	8.6
93.07026	14.7
95.01342	3.7
95.04969	12.8
95.08603	8.2
97.06552	3.3
105.07031	8.4
107.04973	8.8
107.08567	8.0
109.06536	6.8
117.07021	4.5
119.08556	8.5
121.02837	7.1
121.06503	7.4
121.10107	6.2
123.04452	2.6
125.02307	3.2
129.07043	6.1
131.08559	7.4
133.10117	9.1
135.08124	4.5
135.11710	3.1
145.06511	3.8
145.10078	7.1
147.04376	7.4
147.08110	4.1
147.11676	3.9
149.05959	3.3
149.13206	3.3
159.11717	3.9
161.13206	3.3
171.11720	4.4
207.13768	17.9
215.14127	4.6
233.15269	3.3
261.14838	14.3
289.14325	25.6
291.15939	4.5
307.15408	9.2
325.16412	8.8
335.14923	11.1
353.15884	3.6
369.15829	3.1
381.19125	3.3
399.20346	5.7
427.19592	100.0
445.20663	23.7
497.20361	3.8
608.12543	3.0
609.25348	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	642.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	9.7
57.03423	5.6
59.28987	3.0
64.61700	3.0
69.03419	11.5
70.27258	3.3
71.04979	32.3
75.04467	6.6
81.03394	5.7
81.07056	5.5
83.04970	99.9
84.17758	2.9
85.02375	5.6
85.02892	100.0
86.06036	5.2
91.71666	4.5
93.98533	2.9
97.02873	18.7
98.06033	3.2
101.05913	4.2
104.11773	3.8
109.02895	5.0
111.04431	44.0
114.62502	3.3
127.03885	20.1
129.05475	41.2
137.05925	4.5
145.04929	9.9
147.06540	13.0
171.70093	4.1
176.55383	3.5
176.62503	3.3
188.09198	7.7
208.24962	3.3
212.54683	4.3
237.07646	7.1
245.29401	4.3
255.08546	8.1
273.09579	17.6
309.11841	7.0
322.16010	4.0
411.70572	4.2
443.40451	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	642.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	9.7
57.03423	5.6
59.28987	3.0
64.61700	3.0
69.03419	11.5
70.27258	3.3
71.04979	32.3
75.04467	6.6
81.03394	5.7
81.07056	5.5
83.04970	99.9
84.17758	2.9
85.02375	5.6
85.02892	100.0
86.06036	5.2
91.71666	4.5
93.98533	2.9
97.02873	18.7
98.06033	3.2
101.05913	4.2
104.11773	3.8
109.02895	5.0
111.04431	44.0
114.62502	3.3
127.03885	20.1
129.05475	41.2
137.05925	4.5
145.04929	9.9
147.06540	13.0
171.70093	4.1
176.55383	3.5
176.62503	3.3
188.09198	7.7
208.24962	3.3
212.54683	4.3
237.07646	7.1
245.29401	4.3
255.08546	8.1
273.09579	17.6
309.11841	7.0
322.16010	4.0
411.70572	4.2
443.40451	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	642.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	14.6
67.05497	79.8
69.07075	20.6
79.05493	19.8
79.77093	2.8
81.07047	100.0
83.08612	19.4
91.05488	18.7
93.07029	32.7
95.08603	76.9
96.33601	3.1
97.06501	3.4
97.10167	13.6
103.17857	3.5
104.17662	3.2
105.07036	10.8
107.08581	23.7
109.10148	36.3
111.08066	6.3
119.08556	12.5
121.10141	32.8
123.11720	27.8
131.08598	7.6
133.10133	22.5
135.11688	24.3
137.13268	9.0
143.78203	3.3
147.11720	6.9
149.13240	6.1
151.11174	6.6
159.11671	6.1
164.90834	3.1
166.26854	4.0
207.94136	3.8
215.18001	14.4
233.19031	10.6
237.22194	6.7
251.20041	38.0
279.88406	3.3
299.09958	4.0
323.60138	4.0
460.29965	3.7
469.40030	18.3
487.41364	12.6
505.42300	7.6
513.19073	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	642.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	15.3
55.37277	2.1
57.07068	4.9
66.51035	2.1
67.05498	79.5
69.07063	17.8
79.05482	23.2
81.07050	100.0
83.08609	19.0
85.06518	4.0
91.05473	24.0
93.07037	30.2
95.04969	2.5
95.08598	77.8
97.06535	6.6
97.10168	9.3
102.56866	2.4
105.07031	9.1
107.08575	22.3
109.09481	4.5
109.10153	41.9
111.08062	3.7
117.07066	3.3
119.08598	10.4
121.10139	36.0
123.11701	18.3
130.01181	2.5
131.08577	12.7
133.10126	23.5
135.11708	27.6
137.09673	4.5
137.13248	9.9
145.10112	6.9
147.11705	6.8
149.13261	7.9
151.11171	5.7
155.10704	2.9
159.11693	4.6
161.13264	2.9
173.13304	2.6
174.99037	2.3
215.17926	13.1
219.21133	4.2
233.18961	15.4
237.22159	4.7
248.56616	2.5
249.18555	3.1
251.20117	23.9
254.11223	3.0
269.21228	3.2
285.03500	2.5
469.40311	35.5
486.18613	3.1
487.41632	9.6
505.42682	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	642.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	31.5
64.50732	5.8
67.59226	6.0
68.67809	6.1
71.08619	24.8
77.92419	6.0
85.10157	14.3
87.04456	9.9
89.06023	100.0
93.62261	6.1
116.39146	5.9
130.08633	18.3
133.08569	71.7
140.55363	6.3
141.16295	7.0
161.42369	6.5
177.11249	23.1
263.46344	10.4
283.20358	7.7
292.08765	6.9
336.86890	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	642.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16204	18.4
57.07063	73.4
65.91217	17.0
67.05488	80.4
69.07062	41.8
71.08619	75.0
81.07048	76.8
83.08587	31.5
85.10168	25.3
91.05461	27.6
91.70990	35.8
93.07040	58.1
95.08601	81.6
149.13092	20.7
264.56638	21.8
278.98499	21.7
307.68106	26.2
313.27365	42.5
392.72769	21.9
507.40662	100.0
609.12201	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48638	6.1
50.69189	6.0
50.90554	6.8
51.70098	5.5
63.79722	6.1
99.50868	7.0
102.36533	9.7
151.20595	7.7
165.88649	8.8
192.40715	8.9
219.17041	8.5
260.77518	7.2
293.18481	9.8
294.95679	8.0
517.81696	9.2
621.15808	8.8
643.25165	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46751	0.9
55.05492	1.7
55.20468	1.1
55.39272	1.0
55.83762	1.0
63.04169	1.0
64.89193	1.0
69.07047	2.2
72.08145	32.8
86.09696	100.0
93.95154	1.3
93.95780	1.3
97.53302	1.1
98.04547	1.2
104.90027	1.4
110.08533	1.5
111.07257	1.7
112.11264	1.6
116.43077	1.2
117.47476	1.1
121.55499	0.9
127.13972	1.2
128.81914	1.3
131.04935	1.5
133.89075	1.5
137.05894	2.2
141.10249	9.7
147.04491	1.2
151.03792	1.8
154.15965	2.1
157.13354	9.5
165.35561	1.3
169.09686	5.5
183.11360	2.7
185.12859	7.6
185.16483	2.2
217.82054	1.5
221.81111	1.2
251.17586	1.6
254.15005	2.4
254.18552	2.2
282.18054	13.9
284.19745	1.4
296.19699	2.7
298.21289	2.6
353.21765	13.2
395.26678	1.5
415.48114	1.7
417.21497	2.0
466.30170	18.2
579.38690	2.6
588.90759	1.7
643.25250	8.8
644.24548	2.1
657.24597	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	643.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	2.2
72.08144	34.4
73.39954	2.1
76.75964	2.3
82.46642	2.2
86.09697	100.0
88.77381	2.5
104.00940	2.1
141.10204	14.5
157.13347	10.5
169.09715	7.8
185.12888	4.6
187.83772	2.5
215.92436	2.6
251.17746	2.5
267.78741	2.8
282.18143	8.6
298.21552	4.0
353.21756	16.6
389.30228	2.7
417.21228	4.3
466.30264	18.2
511.14258	3.0
610.10767	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	643.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	43.3
57.33237	14.5
59.59504	12.1
67.05502	95.5
68.44753	12.8
69.07044	56.4
70.13519	10.8
79.05477	40.5
81.07043	100.0
83.08614	28.8
83.54743	13.0
91.05460	36.4
93.07038	71.7
95.08557	84.1
97.10169	30.2
107.08591	38.5
109.10152	35.6
121.10151	37.8
128.82124	16.1
133.10088	25.0
135.11685	42.4
161.13205	22.3
178.47627	15.4
217.19600	28.5
235.20613	33.0
240.85786	16.5
253.21661	23.1
469.40674	18.0
487.41312	42.5
505.42728	27.6
658.36371	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	644.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46928	1.9
53.49569	2.0
55.01862	8.8
56.05018	3.1
56.91908	2.2
68.99763	2.3
70.06577	11.0
72.08161	3.4
74.00660	14.4
74.01001	2.2
76.02213	6.5
76.03991	3.7
81.03419	3.3
84.04498	43.2
86.09705	5.1
90.96757	4.8
91.05473	2.5
91.71760	5.4
107.99399	100.0
109.02871	11.3
110.06033	6.5
112.03986	12.2
123.04449	12.1
127.03865	14.5
130.04997	93.7
133.02831	5.9
137.05937	2.9
139.03914	20.4
141.62061	2.5
147.07729	4.7
151.03923	39.4
155.03407	14.9
155.08128	3.7
156.06644	3.5
163.07521	3.2
168.99557	3.3
173.12805	3.1
174.00414	8.8
177.03279	5.4
179.03453	13.7
179.04819	4.9
211.02040	67.4
213.05586	4.2
244.12984	4.1
245.04581	4.2
248.19096	2.8
265.03131	19.1
287.05539	23.5
305.06509	9.1
308.09201	4.1
335.02994	3.4
340.06293	80.2
367.03613	3.4
622.92566	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	644.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	5.2
57.03430	6.9
57.07070	60.3
58.53172	3.0
61.02909	17.4
65.56455	3.2
67.05494	14.8
69.07051	16.1
70.25063	3.0
71.05013	3.3
71.08623	45.9
73.02896	6.8
81.07044	17.9
82.58743	3.5
83.08625	6.4
85.02899	27.2
85.10164	24.3
86.09765	3.4
91.03928	20.8
95.08603	39.1
97.02880	15.9
97.10166	9.1
103.75738	3.8
104.95952	3.5
105.10365	3.7
109.10159	19.8
120.19870	3.6
123.11693	6.2
127.03893	4.3
145.04980	10.1
163.06044	8.1
170.05327	4.0
211.20593	25.9
229.21672	4.8
285.24207	100.0
303.25308	42.9
360.95972	4.7
532.61639	4.3
600.83813	5.4
645.28375	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	38.2
71.08616	32.1
81.50659	6.0
85.10175	15.9
87.04453	10.4
88.48073	6.4
89.06005	100.0
91.70966	7.7
101.51067	7.6
130.08643	24.0
133.08603	77.2
139.64523	8.6
145.35165	7.1
177.11229	23.1
459.27377	9.1
474.67004	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	644.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	19.1
55.15942	7.2
56.79613	6.9
60.04519	100.0
60.04805	12.5
67.05495	67.5
69.07085	9.5
70.06585	19.9
79.05480	25.6
81.07046	61.5
82.06617	8.8
84.81245	6.7
91.05474	25.9
91.71580	9.7
93.07043	33.2
95.08607	51.9
105.07060	14.1
106.60380	7.0
106.76495	7.4
107.08604	19.9
108.76978	7.6
109.10159	12.0
110.16926	7.3
121.10123	19.6
124.38089	7.5
126.21043	8.0
133.10141	8.0
134.01370	8.8
135.11717	12.6
207.52769	8.3
254.24750	12.1
280.26437	18.3
566.47418	16.2
584.47845	10.6
598.90820	11.1
626.49457	28.6
644.50983	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	644.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11702	3.4
53.03942	3.9
53.52997	3.1
55.05506	22.4
57.07081	5.9
67.05494	99.6
67.05824	5.7
69.07057	29.9
79.05501	15.4
79.59544	4.4
81.07047	100.0
83.08613	35.8
83.08990	3.4
85.06579	5.9
89.06049	16.1
91.05508	18.5
91.71731	7.6
93.07029	23.6
93.61842	4.3
95.08595	97.1
95.09140	7.1
97.06557	4.2
97.10194	15.8
105.07058	12.7
107.08631	15.8
109.10152	43.6
113.46429	3.9
119.08595	10.6
121.10125	25.0
122.47861	5.2
123.11681	23.1
127.63351	5.3
130.08675	4.6
131.08598	5.0
133.08653	13.8
133.10114	11.2
135.11664	25.1
137.09644	5.3
137.13235	21.0
149.13339	5.5
151.11197	6.1
156.58603	5.2
215.17995	12.3
233.19020	10.4
235.20615	6.7
237.22136	6.2
251.20044	34.4
283.76724	5.0
292.71243	5.4
303.64822	5.1
323.83862	5.5
388.59653	5.4
471.42175	19.6
489.43082	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	644.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	15.3
57.07089	3.0
58.96557	2.7
61.19274	2.7
62.11029	2.8
67.05170	5.3
67.05497	69.2
69.07059	24.6
71.04934	2.7
79.05485	17.4
81.07047	100.0
83.08609	26.4
89.06013	9.9
91.05478	17.7
93.07034	25.8
95.08601	74.2
97.06525	4.7
97.10165	14.3
105.07023	9.4
107.08599	13.9
109.10165	38.6
111.08072	3.9
111.11778	3.7
119.08599	8.8
119.14077	3.3
121.10150	28.4
123.11678	18.8
131.08578	4.8
133.08618	7.1
133.10124	14.8
135.11720	24.3
137.13261	7.1
145.10152	5.6
147.11670	4.3
149.13275	8.2
151.11200	4.9
155.88313	3.6
159.11784	4.8
177.11214	4.8
214.34055	3.5
215.17900	9.3
229.83220	4.0
233.19038	13.0
235.20616	6.1
251.19981	16.1
389.33868	5.5
471.41971	23.5
489.42953	17.3
538.23376	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	645.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72666	1.9
62.78080	2.0
70.76781	2.1
86.09702	6.0
110.83939	2.2
157.40237	2.4
243.94794	2.8
334.70297	2.7
378.21942	3.3
417.16580	3.6
645.26617	100.0
646.26874	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	645.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95924	5.3
56.81885	4.3
60.29377	4.3
61.68302	4.7
77.44378	4.8
82.65733	4.9
128.58195	5.2
150.41739	5.2
193.09055	5.8
207.65524	5.1
250.49982	5.6
262.63962	7.5
272.07379	5.3
277.08347	6.2
645.26563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54055	1.7
56.86111	1.6
57.03412	1.9
63.32999	1.5
69.03415	6.1
70.06567	2.8
70.15406	1.7
72.08129	2.2
72.47930	2.0
76.02204	3.1
84.04484	2.8
85.02901	23.8
97.02882	7.1
108.12854	2.2
109.13081	2.4
111.04475	2.5
123.04395	23.3
127.03915	8.4
128.06250	2.0
129.79947	2.0
139.03882	2.4
145.04922	3.7
149.02328	34.8
151.03928	3.9
153.01813	55.4
153.03014	3.9
161.02361	3.5
167.03378	9.0
171.02954	5.5
185.45276	2.0
195.02855	11.6
203.03391	3.1
213.05397	3.5
231.06586	25.3
259.05978	33.1
260.06287	2.7
287.05365	9.7
295.54233	2.4
305.06534	100.0
369.12943	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	646.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.8
55.39231	2.3
58.73561	2.2
65.08226	2.9
76.92908	2.5
79.05491	2.8
91.05470	11.8
94.04172	3.4
95.04957	2.5
100.93889	2.4
102.35852	2.6
103.05464	11.5
105.03374	3.0
105.07040	3.1
119.04911	5.0
122.03623	6.2
124.51959	2.9
126.00623	2.5
129.06909	3.0
131.04910	19.2
133.02815	20.3
137.05971	100.0
145.06491	3.5
147.04424	9.1
149.05994	8.3
151.03934	4.3
151.07512	4.1
161.05965	13.1
162.06766	3.7
163.07469	7.0
185.05882	5.3
187.07552	21.5
189.09074	7.0
199.07481	4.3
215.06984	4.6
217.08641	11.6
231.08160	3.2
233.09763	3.3
241.08572	3.4
247.07756	4.0
261.09152	6.8
263.10648	3.6
266.35519	2.8
267.58984	3.1
277.08435	3.0
278.09250	3.5
287.10437	3.8
289.08530	3.1
291.10214	7.7
292.10806	3.3
323.12772	4.9
335.12848	6.2
347.12778	12.1
365.13904	9.7
377.13895	6.4
383.14920	5.0
395.15030	5.9
411.15866	3.5
432.01651	3.6
471.17947	12.5
483.17984	6.6
501.18945	25.1
502.18655	3.0
531.20245	3.5
561.20972	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	646.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37350	7.8
55.05518	28.7
56.21913	8.6
57.03423	10.8
57.07071	25.7
61.36559	10.0
66.83675	9.6
67.03700	10.3
67.05492	51.9
67.22657	9.1
69.07063	51.8
79.89197	10.5
81.07046	61.2
83.08620	40.7
93.07051	36.6
95.08621	45.0
97.06580	16.2
97.10197	12.7
97.79121	10.4
99.37024	9.9
100.26308	10.4
107.24239	11.4
109.10184	25.5
121.10179	33.7
132.31528	11.5
135.11729	31.0
149.13338	15.1
159.74365	10.9
287.22324	21.7
302.84698	12.0
304.41113	11.6
310.39743	12.8
310.43256	14.2
325.23648	100.0
343.24774	80.4
593.43060	13.4
611.45032	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.212
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45462	1.9
56.97409	2.1
57.35501	2.1
57.38728	1.9
61.84319	1.8
64.62539	1.7
79.47426	2.3
85.41225	2.0
95.04947	4.5
104.40796	2.4
105.04520	2.2
107.81428	2.3
117.42442	2.6
119.71176	2.1
123.04433	7.8
128.46724	2.0
131.04936	8.9
133.02844	5.2
135.04459	6.8
137.02397	2.6
137.05974	16.9
139.03899	34.8
145.06480	3.7
151.03902	100.0
153.05438	7.8
163.03868	14.4
163.07544	3.5
165.05524	2.9
169.04964	5.8
173.56165	2.6
181.04941	5.5
189.05434	5.3
205.04962	3.1
205.08614	3.7
215.06911	2.2
240.16930	2.4
279.10110	4.3
319.08105	63.2
329.13809	43.3
446.53314	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	647.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32671	2.0
58.81733	1.4
79.42976	2.1
88.60061	2.4
91.71618	2.0
98.72128	1.9
112.52297	1.9
128.06464	1.9
147.12164	1.9
527.40851	8.1
587.42719	7.2
647.44910	100.0
648.45038	6.0
658.46082	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	647.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14177	1.5
53.77919	1.4
71.90928	1.7
77.69798	2.0
121.81196	1.8
122.20764	1.9
130.11035	2.0
232.23584	2.2
283.31851	2.2
445.72015	2.3
527.40576	9.7
587.42651	8.5
606.92993	2.1
629.44910	3.3
637.40979	2.3
643.83069	2.1
647.44873	100.0
648.45599	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	647.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20119	1.4
54.22287	1.6
62.75153	1.8
73.68472	1.9
91.71031	2.1
103.68246	1.8
126.73573	2.3
197.75972	2.1
254.90762	2.1
405.76242	2.2
618.61273	2.3
647.46991	100.0
648.46814	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	647.47
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11820	2.3
61.54382	3.2
61.99044	3.3
62.49837	2.7
68.69103	2.8
81.16096	3.1
86.95216	3.1
94.78265	3.1
95.24236	2.7
112.50593	3.3
152.13988	3.5
158.64636	3.4
161.61205	3.3
291.77161	3.5
647.37122	5.7
647.47125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97187	8.4
55.05495	19.5
60.02325	8.2
61.16196	8.8
63.29929	7.3
64.17485	8.3
67.05499	69.9
69.07042	23.3
71.04975	10.0
71.69891	10.8
79.05478	14.8
81.07055	100.0
83.08618	15.2
85.06516	11.4
86.51756	9.7
91.05444	18.2
93.07037	42.8
95.08598	79.7
105.07047	19.9
107.08589	14.0
109.10155	28.9
111.11669	10.5
116.93436	10.2
119.08539	11.0
121.10147	30.2
123.11707	13.5
130.97267	8.9
135.11737	13.1
144.82150	9.9
147.11697	17.4
149.13292	11.4
227.88170	10.0
261.21967	10.9
279.23117	84.4
297.24106	24.5
557.46185	17.7
606.80847	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	648.3743
Annotation	Lotusine E
Peak:m/z	Relative Intensity
52.63047	0.9
57.22355	1.0
60.18061	1.0
61.80941	1.1
67.93899	1.0
77.96804	1.0
86.88527	1.4
87.70505	1.2
91.71061	1.6
97.37036	1.2
101.13242	1.1
116.05913	1.4
121.16830	1.2
126.96082	1.3
135.07646	1.4
136.86571	1.3
147.10493	1.4
158.09740	2.1
172.11249	4.9
173.12057	5.6
186.12769	6.2
200.14330	2.1
242.19057	2.5
261.08728	1.9
265.37149	1.7
273.17239	2.0
286.18121	4.7
300.19516	7.3
314.21259	4.5
326.86954	1.5
328.22906	5.1
342.24429	2.8
383.35287	1.6
400.28400	6.6
412.28204	3.2
430.29507	27.7
430.35486	1.6
470.32590	2.5
486.32123	13.0
648.37378	100.0
649.37671	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28345	13.3
53.81968	15.0
54.02540	14.4
69.03396	18.8
120.08150	19.4
127.12433	18.6
135.70404	17.7
138.09142	38.5
156.72092	19.1
174.09230	26.8
192.10257	26.2
220.09702	46.9
222.77763	20.1
257.09213	31.3
261.08789	67.6
267.11252	20.2
275.10330	100.0
281.09109	39.9
285.08679	27.1
286.09357	27.1
299.10352	34.5
301.11789	60.1
311.10364	19.7
327.09802	30.8
331.09134	21.8
345.10864	32.1
347.12506	23.8
357.94843	19.2
371.12424	50.8
372.13147	85.0
406.17654	33.8
440.94125	20.8
631.27216	68.1
649.28339	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57741	4.7
54.97384	3.9
55.05495	15.0
57.03444	8.2
57.07059	9.9
61.02925	26.8
61.37530	4.2
67.05497	90.7
69.03400	7.8
69.07069	11.6
71.04958	5.2
73.02901	17.8
74.46096	5.6
79.05486	51.1
81.07048	83.6
83.08614	5.6
85.02882	36.4
85.06536	10.2
87.88702	4.7
91.03955	27.3
91.05469	37.8
91.71603	6.4
93.07034	82.0
94.15929	4.6
95.04940	7.2
95.08593	54.5
97.02895	12.8
97.06529	6.3
99.08084	8.5
105.07025	26.5
106.02579	5.8
107.08576	42.8
107.84818	5.1
109.10161	30.1
117.07011	19.4
119.08569	26.7
121.10126	55.4
123.11723	20.1
127.03902	9.8
131.08540	37.6
133.10138	21.7
135.11693	60.3
137.09552	6.1
137.13329	7.1
145.04927	14.4
145.10083	29.4
147.11685	18.0
149.09610	5.6
149.13252	27.4
151.11235	7.1
159.11702	25.6
161.13188	7.8
163.06039	19.7
163.11259	8.7
173.13260	23.0
205.19539	14.3
215.17940	83.7
222.66574	6.6
233.18965	100.0
256.16315	5.3
307.22595	11.0
325.23633	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	649.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	16.4
57.03428	5.5
57.07058	7.9
61.02907	24.3
67.05500	100.0
69.03413	5.2
69.07059	11.8
73.02917	6.7
79.05482	54.0
81.07050	95.5
83.08621	9.5
85.02906	29.8
85.06518	7.4
85.29604	4.8
91.03941	27.8
91.05476	38.0
93.07043	90.3
93.07576	10.8
95.04961	9.9
95.08599	65.9
97.02868	13.7
97.06514	8.7
99.08106	6.5
105.07020	22.6
107.08595	45.8
109.06551	6.1
109.10157	41.2
115.53177	5.2
117.07021	10.0
119.08570	23.5
119.09354	5.3
121.10136	53.4
123.11714	21.2
127.03898	9.0
131.08560	30.1
133.10117	35.7
135.11697	66.4
137.13246	8.5
145.10127	30.5
147.11681	12.5
149.13248	25.6
151.11186	7.0
159.11664	20.2
163.05978	9.1
173.13261	14.3
182.44199	6.1
205.19476	8.9
215.17938	67.3
233.19025	73.7
277.10617	5.4
307.22742	23.2
308.01611	5.9
325.23621	15.0
352.61267	6.0
454.20541	5.7
595.87701	6.6
622.58429	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	649.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
93.24097	8.3
101.23283	8.0
104.19432	7.8
115.92039	7.4
116.63016	7.6
137.56285	8.0
155.48019	9.1
212.60530	10.0
217.48041	9.9
239.27272	11.0
278.03821	10.3
335.26572	9.2
570.38898	9.9
649.42670	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	649.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89474	4.4
60.36732	5.9
109.05690	5.7
133.35225	6.5
174.06586	6.1
184.37952	6.4
248.69196	8.1
302.63669	7.7
391.64432	7.2
419.82602	7.4
431.67560	7.5
489.96060	8.6
579.42053	7.9
607.91180	7.9
649.46570	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57399	4.0
61.60798	3.5
71.00903	3.5
85.49184	4.3
88.51258	3.8
91.71613	4.9
95.05064	4.2
109.99224	4.3
115.47334	4.4
125.37156	4.1
129.63792	4.6
145.70308	4.5
170.05371	4.4
173.12100	5.6
219.64674	4.4
223.70985	4.4
249.07651	4.4
265.53210	5.1
349.65335	5.1
472.60440	5.7
529.42108	5.8
589.44293	7.0
595.61688	4.9
618.98346	6.8
649.46533	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12478	2.8
66.39975	2.3
66.49829	3.3
72.94653	2.5
91.05443	4.1
93.07046	5.7
121.06500	100.0
139.52980	3.2
166.12265	74.0
225.98303	3.1
232.83281	3.0
390.02554	3.1
392.94067	3.0
465.90543	3.1
552.78973	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	651.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41263	11.0
52.96752	11.4
54.91932	12.1
57.07046	46.1
58.33974	11.7
71.14912	13.8
76.70499	13.2
81.07059	17.8
85.06525	19.2
91.05451	26.9
95.04939	20.2
97.02906	14.8
103.05441	34.3
105.07057	27.5
107.04982	16.8
115.05464	16.3
118.27744	13.3
119.04952	18.5
125.00475	13.6
131.04901	47.9
133.06503	27.1
137.05966	26.3
149.06036	22.2
151.04002	18.6
161.05984	20.5
177.05452	100.0
202.83871	14.5
211.04066	21.7
219.06573	20.4
395.79208	16.3
651.21588	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21600	3.1
57.07047	3.9
61.45384	3.5
83.04957	7.4
85.11299	3.6
91.05484	9.9
97.19449	4.6
103.05496	4.7
105.07040	5.3
106.04144	4.7
107.04963	7.4
118.26132	3.8
119.04952	6.6
119.88568	3.9
126.92326	3.5
131.04877	4.7
133.06470	6.1
135.04414	6.2
135.18692	4.2
135.87003	4.4
137.05998	7.1
141.11949	4.0
147.04401	4.2
149.05946	8.5
159.04187	18.1
161.06042	4.8
163.07576	4.3
177.05450	30.1
182.41055	4.6
185.09689	4.6
186.83263	4.3
243.10243	5.7
261.11163	5.5
280.43228	4.9
286.51880	5.0
488.06482	5.7
610.35162	5.1
651.23962	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71536	11.2
53.87301	9.3
54.33228	10.5
55.39892	10.5
57.07063	17.6
59.80637	10.8
61.91601	10.5
68.29472	13.2
73.77014	12.0
83.86714	12.9
85.06536	17.3
91.05472	25.8
95.04975	12.9
97.02892	14.5
103.05481	27.0
105.07004	18.6
105.10835	15.1
107.04985	14.8
115.25415	13.7
117.07117	13.3
121.06510	18.6
130.21829	12.6
130.60509	14.3
131.04956	29.5
133.06453	16.6
137.06035	15.1
149.06003	47.6
153.05424	15.4
155.02887	13.7
177.05505	100.0
181.79613	13.9
189.05290	46.0
245.11978	14.3
245.61873	14.1
323.87692	14.8
354.58688	17.2
651.23846	90.9
678.62677	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.3
57.07058	38.6
57.99548	8.0
64.39325	8.8
66.30127	8.2
67.05489	18.7
70.06573	34.6
79.05486	22.1
81.03387	9.2
81.07025	14.0
83.04982	23.3
85.06503	17.3
88.97329	9.9
91.05474	31.3
93.07024	14.0
95.04937	23.0
95.08577	9.4
103.05487	19.9
105.03414	9.7
105.07035	40.7
107.04977	23.7
112.08740	10.3
117.07029	21.4
119.04953	15.6
119.08642	8.8
123.04423	12.7
123.08051	11.9
128.06226	9.8
129.06947	13.2
131.04921	28.3
133.06497	33.8
135.04422	13.6
137.05962	31.1
145.06506	11.9
147.04402	29.9
149.05960	19.2
153.05438	21.2
160.86247	9.3
161.05971	25.7
165.05484	11.8
165.96912	10.3
173.09619	10.4
177.05470	40.2
179.06981	10.8
187.11131	13.1
193.04926	13.3
193.08656	11.9
217.12492	12.3
219.10048	10.1
219.13774	16.4
263.12711	100.0
607.38574	22.3
651.37616	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	651.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38355	5.7
55.24166	5.7
66.84926	7.6
67.05509	6.7
67.94849	6.1
73.01190	6.2
81.07034	11.0
122.09651	14.1
127.07558	7.8
139.36334	8.1
173.07025	9.1
187.05022	10.7
191.08160	25.4
203.08139	8.1
219.07671	10.5
224.34309	7.1
247.07083	66.0
261.08765	19.2
275.06647	100.0
277.05490	8.2
277.08023	39.3
278.63550	7.2
299.10382	8.8
301.11865	29.6
399.27481	8.9
412.15509	15.0
514.18109	22.0
608.25659	12.0
651.26709	72.3
669.52301	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	651.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82989	1.8
91.71642	4.2
105.16519	2.1
121.10125	2.1
124.07603	4.3
138.09193	7.1
164.10779	6.1
192.10240	4.1
201.06689	3.2
204.10213	2.9
207.39888	2.4
210.11288	5.9
212.78627	2.3
215.08241	8.7
216.07045	2.3
216.08929	11.2
222.11395	2.6
231.11423	3.6
240.12273	3.1
245.09192	3.2
249.12512	2.9
257.09244	5.1
260.08072	9.2
261.08813	9.1
273.45908	2.4
274.09601	2.5
275.10220	100.0
285.09311	2.6
285.12411	5.4
286.09528	7.9
299.10367	9.8
301.11810	22.2
315.13483	6.5
327.09909	9.0
345.10715	10.8
347.12555	5.3
355.11212	2.3
378.18079	3.3
390.18234	3.9
402.18320	4.8
406.17542	23.8
408.19415	4.7
412.18689	30.2
436.18878	3.3
452.17972	18.6
466.19815	12.3
482.19302	14.2
483.20001	3.8
484.20969	10.2
589.26385	9.5
603.27789	3.8
619.28046	7.1
621.29028	12.1
633.29047	6.2
651.29987	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	651.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57721	3.3
55.70360	3.2
65.84821	3.9
66.85741	3.1
72.75000	3.3
75.00896	3.2
79.05480	3.4
84.53894	3.7
90.46688	3.7
91.48837	3.6
94.06519	4.2
107.34900	4.2
108.68225	3.8
110.58503	3.9
122.06073	5.0
122.09665	12.8
123.51494	3.9
124.07577	9.1
138.09143	20.8
164.10713	14.0
174.09232	8.0
176.10732	6.3
192.10223	13.3
201.06433	5.6
202.07384	12.7
213.10167	4.6
215.08119	8.2
217.09654	5.1
227.08130	8.1
235.10815	5.4
241.09753	7.7
257.09134	5.2
260.07935	8.1
261.08685	100.0
274.09372	4.9
275.10220	31.8
275.12967	4.1
285.12460	6.8
286.09500	18.4
287.10226	16.4
299.10278	10.6
301.11761	82.4
313.08029	6.5
315.13419	11.3
345.11017	7.8
347.12436	21.0
363.06589	5.0
378.18030	8.8
406.17596	51.9
423.89203	5.0
452.18088	86.9
466.19510	25.7
467.85275	5.0
482.19391	8.3
484.20926	30.9
589.26495	46.5
603.28424	14.3
621.29224	50.2
651.30109	15.7
675.03485	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	651.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41522	4.9
57.33916	5.4
83.53808	5.8
115.27198	6.5
121.06503	8.1
197.49889	7.1
241.08435	6.9
266.93332	7.5
651.40521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.444
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74795	3.8
67.05486	4.3
72.59487	3.8
95.08583	5.0
97.31810	3.9
115.13811	4.2
166.17055	4.9
215.91312	5.6
249.06371	5.5
260.92172	6.3
337.08557	5.9
413.40906	6.2
438.52786	5.4
651.44281	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29987	4.1
55.05517	6.6
56.01270	4.0
57.27257	4.2
63.86107	4.2
67.05514	21.0
69.07056	6.3
75.67966	4.4
76.09092	5.3
79.05515	10.9
81.07052	31.2
89.49144	5.6
91.05513	9.9
93.07074	13.8
95.08634	21.1
97.02920	19.0
97.10229	5.1
98.03237	6.3
105.06996	4.8
105.75259	4.4
107.08624	9.5
119.05009	7.3
120.38873	4.8
121.10181	12.4
135.11696	6.5
138.98473	5.1
147.04379	25.8
158.33604	5.6
167.45863	5.5
334.96924	5.3
450.74686	6.1
531.43512	8.7
591.46075	6.5
651.48016	100.0
657.08459	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	651.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34875	4.0
54.63489	4.4
67.05489	16.6
69.07043	6.1
79.05489	6.1
81.07053	16.9
93.07043	7.7
95.08608	13.7
109.10186	7.1
121.10146	9.4
123.50008	5.0
147.04369	6.8
154.47339	4.7
155.87065	5.2
208.24490	5.6
239.95746	5.1
305.24051	5.6
315.02347	6.1
486.24329	6.3
591.45941	8.1
651.47931	100.0
652.48114	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	652.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	28.4
55.01863	10.9
57.07056	26.0
57.32063	7.1
59.42048	6.9
61.65750	7.8
62.88203	7.5
64.20653	8.5
79.05482	17.9
81.03399	32.8
81.07024	14.4
83.04987	15.7
85.69528	9.2
91.05471	29.6
95.04972	24.9
103.05468	18.2
105.06999	20.3
107.04955	28.6
108.52343	9.7
115.05510	14.9
117.06998	17.8
121.06511	16.6
123.04433	16.5
131.04962	16.8
133.06485	28.1
135.08113	10.3
137.05986	23.3
141.07013	10.5
145.06517	23.0
147.04417	19.5
149.06015	19.6
167.07045	31.7
177.05455	100.0
189.05492	12.0
191.07007	14.5
193.04860	11.2
199.94376	9.5
229.12224	46.2
231.13721	15.5
247.13290	15.1
365.42017	11.4
651.64935	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	653.1707
Annotation	Quercetin 3-(6'''-acetylglucosyl)(1->4)-rhamnoside
Peak:m/z	Relative Intensity
53.03939	21.0
55.01868	4.2
55.05495	2.3
57.03422	10.1
59.96471	2.3
61.02908	10.7
69.03422	77.9
71.04974	9.8
73.02903	9.1
81.03411	89.3
81.92276	2.3
83.04957	17.5
85.02897	82.3
87.28756	2.6
89.66572	2.3
97.02309	5.2
97.02888	44.5
99.04460	18.1
103.03929	4.4
109.02869	90.0
111.04453	26.5
115.03944	2.7
127.03911	100.0
135.48756	3.0
136.62289	2.8
137.02298	3.6
145.04938	17.2
161.15692	2.6
169.04953	10.7
187.06013	68.9
196.73099	3.0
205.07092	43.6
261.08725	10.5
303.04950	50.7
315.04999	4.3
345.06143	8.9
373.90985	3.4
449.10638	6.6
653.28363	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	653.256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67133	3.3
66.76642	3.9
69.03444	4.6
73.83373	4.4
85.02927	7.3
97.02843	5.6
118.06550	15.8
144.08098	15.9
146.05995	63.8
159.09164	9.5
188.07065	100.0
188.08575	4.1
205.09692	50.8
205.11246	5.1
218.30293	5.0
222.80724	4.3
280.52048	4.4
286.48010	5.5
286.51505	4.6
287.03323	6.0
465.93008	5.6
503.13754	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	653.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12399	0.9
70.64013	1.1
70.99186	1.1
128.06447	1.2
164.10698	1.7
173.83124	1.3
185.07146	3.3
186.07893	3.2
187.08679	4.3
199.05003	5.4
200.05869	3.0
210.11237	1.2
213.06598	1.2
214.07362	1.2
215.08206	4.1
217.06171	3.3
218.04848	1.2
218.06905	4.4
231.07562	2.1
233.09174	4.2
259.07135	7.3
268.50812	1.1
277.08167	100.0
278.08649	1.9
406.17630	2.7
414.16577	44.4
451.53006	1.4
468.17471	1.9
498.18765	4.5
635.26984	8.9
653.27966	3.9
676.80725	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	653.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07353	1.6
54.13188	1.6
55.16037	2.3
58.06597	14.4
69.07086	6.1
76.64441	1.9
79.05475	2.0
80.05009	2.0
80.88946	2.1
81.07072	5.4
91.43166	1.9
94.33346	2.1
96.04579	2.0
109.32344	2.2
123.11744	3.0
126.05009	2.1
133.71216	2.1
139.63976	2.4
150.63750	2.5
164.10786	2.9
185.07365	2.7
186.07979	3.9
187.08768	4.0
195.48436	2.3
199.05116	5.4
200.05809	2.8
215.08286	4.5
217.06116	3.8
231.07820	2.4
233.09386	2.6
243.41508	2.8
247.07074	3.8
251.10394	2.5
255.00352	2.5
259.07382	6.6
275.06931	4.2
275.60715	2.3
277.08179	100.0
342.26669	2.8
376.88489	2.4
406.17636	6.7
414.16602	56.2
468.17685	5.5
486.19135	2.8
635.27368	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	653.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08839	1.8
60.58163	1.4
60.60663	1.4
78.32252	2.1
81.07055	2.6
91.05433	2.2
115.75322	2.0
117.56881	2.0
119.69034	1.7
122.09668	6.5
157.91801	2.0
164.10719	2.4
185.07121	4.1
187.08582	2.2
195.10196	2.5
199.05009	3.4
210.11273	2.4
213.06728	2.1
215.08243	2.6
217.06061	3.2
218.06822	3.9
231.07660	3.0
233.09178	2.3
240.12325	2.7
259.07202	5.9
261.48676	2.0
276.86172	2.1
277.08154	100.0
293.86688	1.9
406.17514	5.6
414.16574	39.0
468.17587	10.0
498.18591	2.2
555.68738	2.3
605.26178	13.4
617.26685	2.7
635.26453	5.4
653.27563	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	653.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	4.5
56.85434	3.7
57.07068	22.8
60.36349	3.7
70.06583	100.0
70.10390	3.9
72.08140	12.3
78.43167	3.6
79.05481	40.9
79.53011	4.0
81.03417	6.2
81.07027	8.5
85.06512	9.0
90.84898	4.6
91.05453	7.8
95.04937	8.8
97.02857	5.6
97.07664	4.7
98.09686	20.0
105.07034	10.5
107.04919	7.4
108.42218	3.9
112.08714	22.5
114.10296	23.2
119.08595	6.5
124.05053	6.6
124.07550	5.8
131.04947	4.8
133.06480	5.9
137.05959	6.0
137.09634	12.0
140.11812	5.6
145.06468	5.7
145.99290	4.3
150.09157	9.2
153.05405	4.7
156.00926	4.0
158.31171	4.0
161.06085	5.2
163.11137	9.4
166.09785	15.6
177.05438	11.1
217.12128	4.7
243.13893	6.2
275.35617	4.4
342.22070	5.2
359.24411	8.0
411.25089	6.2
609.40039	52.9
616.80676	4.9
653.39209	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29449	3.8
55.05508	21.5
59.31416	3.5
62.19061	3.4
67.05175	6.7
67.05498	100.0
69.07067	22.9
71.08633	3.6
79.05476	28.6
79.31060	4.8
80.31208	4.5
81.07047	97.0
83.08594	16.6
90.25563	4.2
91.05466	28.3
93.07027	49.3
93.07488	4.5
95.08598	80.4
95.09159	7.2
97.06512	7.6
97.10155	6.2
99.84801	4.0
105.07022	14.9
107.08582	20.8
109.10149	28.1
111.08077	6.1
118.53880	4.6
119.08563	11.7
121.10160	25.5
123.11740	9.5
131.08554	8.0
133.10132	19.7
135.11702	14.3
145.10197	5.9
147.11635	5.2
149.13211	7.4
184.07379	7.9
215.17915	9.8
218.52325	4.5
233.19093	7.8
251.19955	22.4
325.23709	31.3
331.30844	4.9
348.30450	4.9
367.24768	33.7
445.86310	5.7
575.42889	18.0
635.44434	5.5
653.46820	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	653.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	18.9
57.03420	11.2
64.18891	5.6
65.03925	5.4
67.05496	92.6
69.07055	17.0
78.80288	5.7
79.05478	22.6
81.07047	100.0
81.67935	5.7
83.08607	16.5
85.06531	7.1
91.05464	32.1
92.99999	5.2
93.07033	37.4
95.08596	94.6
97.06516	13.9
105.07028	12.2
107.08581	22.1
109.10152	35.0
111.08084	12.4
117.05480	9.0
119.08585	12.2
121.10123	35.9
123.11677	18.1
123.12514	6.9
131.08560	10.9
133.10138	23.4
135.11728	23.3
137.13275	9.2
145.10132	6.9
147.04301	6.4
147.11751	11.1
149.13303	8.1
151.11179	13.6
152.23927	5.5
173.43419	6.2
174.41913	5.6
211.93298	6.6
215.17996	24.4
225.50082	5.6
226.75516	6.5
233.19002	23.0
251.19910	48.4
325.23672	60.5
515.25690	9.5
534.60284	6.9
623.13184	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	653.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	13.8
57.07061	3.1
67.05494	43.9
69.07055	13.4
79.05498	12.2
81.07046	56.7
81.07531	3.2
83.08608	14.2
91.05452	21.4
93.07036	14.9
95.04953	2.7
95.08595	40.7
97.06512	3.2
97.10162	6.6
105.07032	5.8
107.04939	13.1
107.08596	12.3
109.10160	22.5
111.11713	3.6
119.04932	27.3
119.08573	3.9
121.10143	13.2
123.04447	8.5
123.11714	12.8
131.08585	6.2
133.06509	2.7
133.10130	8.3
135.11687	15.4
137.13240	3.3
147.04405	100.0
149.13223	4.6
151.11208	3.3
157.06573	2.3
165.05504	6.9
168.21587	2.1
203.07399	2.3
215.17923	4.3
229.38312	2.4
233.19061	5.6
251.19972	3.7
324.40570	2.7
471.42130	3.0
549.94189	2.6
626.48193	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21632	1.1
50.88495	1.0
53.03934	3.3
57.07064	3.6
60.91390	1.0
61.17878	1.1
65.03939	1.3
66.16311	1.1
71.01366	1.3
79.05470	2.8
81.03417	2.6
81.07060	2.6
89.03864	1.5
91.05456	6.1
93.07060	1.7
95.04973	3.0
103.05466	18.2
105.06992	2.5
106.04131	6.3
107.04953	5.3
108.19565	1.2
117.03397	4.2
117.07020	2.0
119.04887	1.5
121.06520	4.5
131.04921	13.3
133.06461	1.9
134.03641	2.5
135.04391	2.0
136.80336	1.3
137.05956	2.0
139.05481	1.3
145.06482	2.0
147.04420	2.3
149.05968	14.7
152.39317	1.2
159.07999	3.0
161.05975	3.2
175.07532	1.6
177.05458	100.0
178.06024	1.7
179.06990	2.2
189.05510	4.7
195.06577	2.0
219.06522	3.6
229.12294	6.7
231.13698	2.2
247.13332	1.5
249.14867	2.6
306.21173	1.7
313.55453	1.3
342.79843	1.4
365.98129	1.6
407.18445	4.0
425.19891	2.4
546.99194	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	654.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
56.62227	1.4
57.07055	4.9
79.05460	2.5
81.03412	2.0
83.04961	3.5
89.03889	2.7
91.05473	5.5
95.04965	5.4
103.05451	20.0
105.06990	3.1
106.04157	10.2
107.04961	4.1
109.10139	1.6
112.38464	1.7
112.95010	1.5
115.05448	2.6
117.03381	4.2
117.07026	2.4
119.04922	3.5
121.06511	6.2
131.04919	13.5
131.08569	2.6
133.06459	3.3
134.03641	2.1
135.04451	4.1
139.07506	2.4
145.06461	4.6
145.17767	1.9
149.05980	20.4
159.08051	2.6
161.06000	4.6
163.07513	3.4
175.07521	5.9
177.05452	100.0
179.06972	3.7
189.05464	4.6
199.11212	2.0
219.06506	2.3
231.13789	3.0
245.11749	6.6
402.47775	2.4
449.46686	1.9
497.33438	2.1
520.50385	2.4
568.28693	2.0
627.92786	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	654.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33404	9.8
57.07068	28.7
61.43810	11.5
69.11074	12.0
70.06578	22.6
91.05510	12.8
91.71667	12.9
95.04974	13.7
100.62698	10.4
103.05450	20.4
104.37298	13.0
105.44390	10.5
106.23929	12.1
107.04925	16.3
121.06535	19.1
130.57875	11.5
149.06003	37.8
177.05472	100.0
203.14417	18.0
219.06754	12.9
245.18152	14.2
249.14998	15.7
257.44260	15.7
300.16794	14.8
362.58499	13.7
394.77402	14.0
565.85657	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	654.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80144	13.8
55.05498	25.8
57.07084	19.2
59.90129	17.2
65.73917	17.0
67.05490	64.7
69.07041	27.0
79.05502	26.0
79.65437	17.3
81.07050	83.2
91.05492	39.7
93.07037	52.4
95.08587	91.0
98.01516	16.1
105.07034	48.4
107.08590	25.7
109.10161	39.2
119.08552	20.0
121.10105	40.9
133.10074	22.4
135.11716	24.7
143.12677	18.9
146.05566	17.8
164.76300	21.1
202.79529	19.5
242.50180	20.0
264.77008	19.8
292.80054	22.7
469.19519	24.8
559.43732	100.0
577.44257	52.8
582.06384	21.6
619.44855	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	655.1864
Annotation	Syringetin 3-rutinoside
Peak:m/z	Relative Intensity
52.32978	0.4
52.85963	0.4
55.01827	0.5
57.03203	0.3
57.03431	3.4
61.02909	0.8
61.76074	0.4
69.03400	1.6
71.04984	20.8
73.02877	0.5
81.03391	1.0
83.04958	0.9
85.02895	23.2
87.04443	0.6
89.87439	0.5
97.02870	1.9
97.15379	0.4
98.06012	0.5
99.04413	0.5
105.50166	0.5
107.04980	0.5
109.02815	0.7
111.04449	0.8
121.02874	0.9
125.06020	0.5
127.03905	1.0
129.05478	4.0
129.54324	0.5
137.02303	1.2
139.03896	4.7
153.01811	6.5
153.05450	5.3
154.06174	0.8
165.01839	2.3
181.04922	1.9
185.96634	0.6
188.10881	0.4
230.05687	0.7
231.06467	1.0
236.99065	0.6
241.04956	1.0
244.03680	0.8
257.04294	0.6
258.05133	4.7
259.06003	1.9
269.04456	1.6
281.27448	0.5
285.04068	0.9
286.04755	3.9
287.05508	5.0
289.03336	0.6
291.08560	1.6
303.04926	1.7
314.04071	0.9
315.04938	1.6
331.04449	4.0
332.05164	2.4
333.37830	0.6
347.07574	100.0
348.07919	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	655.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73211	0.8
54.69263	0.9
55.05524	0.9
56.25885	0.8
57.03432	2.4
58.34621	1.0
61.40668	0.8
69.03416	1.4
70.82896	1.1
71.04981	18.2
85.02414	2.0
85.02899	22.1
85.03362	1.0
86.21283	1.0
88.82785	1.1
89.84793	1.0
97.02901	1.4
129.05504	3.4
153.01828	5.0
242.40508	1.1
244.50954	1.3
258.05252	6.5
259.06125	2.1
286.04755	5.5
287.05447	4.4
303.04971	2.6
314.04227	1.6
315.05026	2.0
331.04504	11.7
332.05148	5.6
343.38318	1.4
347.07590	100.0
348.08026	4.3
406.62454	1.3
511.41428	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	655.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	1.1
61.02924	1.0
64.36258	0.5
69.03421	3.3
71.04964	0.8
76.39111	0.6
81.03420	1.7
85.02405	1.2
85.02887	8.9
97.02900	3.4
101.59931	0.6
111.00822	0.7
112.36832	0.6
127.03927	0.9
139.03931	1.0
150.03183	0.8
153.01831	3.8
178.02542	1.2
181.04887	0.8
211.05876	0.8
229.05156	0.9
244.03662	1.0
257.04547	1.4
258.05200	5.7
259.05981	1.6
286.04626	6.1
287.05484	2.7
289.03366	1.3
302.04153	1.4
303.04935	2.5
314.04095	2.3
315.04892	1.5
317.02853	1.0
331.04449	8.8
332.05072	4.7
347.07571	100.0
348.07889	2.8
422.33340	0.7
493.13290	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1866
Annotation	Syringetin 3-rutinoside
Peak:m/z	Relative Intensity
53.03920	0.7
53.84601	0.5
55.01865	0.7
57.03425	1.1
57.11044	0.5
61.02906	0.9
64.84081	0.5
69.03426	3.7
71.04967	0.7
74.98840	0.7
81.03384	2.4
85.02414	1.1
85.02888	10.4
91.70969	1.0
97.02873	3.1
101.96188	0.8
106.95210	0.6
107.04908	0.7
109.02856	1.0
121.02824	0.8
127.03886	0.7
130.19197	0.7
137.02335	0.9
139.03888	3.4
153.01848	5.6
153.05470	5.4
154.06163	0.9
154.44943	0.7
161.81905	0.6
163.03874	0.7
165.01782	3.0
166.50244	0.7
173.22102	0.8
176.60083	0.7
181.04970	1.3
183.02892	0.8
207.06389	0.8
231.06386	1.0
244.03699	1.5
258.05267	5.2
259.05984	2.3
269.04337	1.6
285.03842	0.9
286.04776	4.0
287.05457	7.1
289.03464	1.2
291.08557	1.9
295.69720	0.8
303.04871	2.5
304.05551	0.9
314.04166	1.3
315.05026	2.7
331.04547	4.4
332.05350	2.3
347.07574	100.0
348.07764	2.0
353.93030	0.8
493.13480	4.2
599.88885	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
62.71262	1.4
81.45576	1.5
91.37291	1.2
97.91154	1.3
152.54956	1.4
152.85942	1.6
255.45265	1.6
339.10464	100.0
391.82648	1.9
570.64484	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	655.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09718	4.5
54.64636	4.6
55.05513	13.8
55.24626	5.4
56.37383	4.1
57.07066	27.1
68.40556	4.6
83.04969	100.0
91.05501	7.2
117.02692	5.1
128.06221	7.5
129.07051	12.4
133.20506	5.6
147.08005	7.7
147.11688	13.1
175.01608	22.0
181.02620	51.4
192.26976	5.9
227.04707	25.3
257.05548	8.1
259.20282	6.9
285.18726	5.9
313.12112	27.1
369.18277	15.5
543.19061	19.0
553.88019	7.5
557.73035	7.5
599.25616	48.4
655.31354	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	655.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09718	4.5
54.64636	4.6
55.05513	13.8
55.24626	5.4
56.37383	4.1
57.07066	27.1
68.40556	4.6
83.04969	100.0
91.05501	7.2
117.02692	5.1
128.06221	7.5
129.07051	12.4
133.20506	5.6
147.08005	7.7
147.11688	13.1
175.01608	22.0
181.02620	51.4
192.26976	5.9
227.04707	25.3
257.05548	8.1
259.20282	6.9
285.18726	5.9
313.12112	27.1
369.18277	15.5
543.19061	19.0
553.88019	7.5
557.73035	7.5
599.25616	48.4
655.31354	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	655.316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80481	3.2
51.03454	4.0
54.17086	3.1
55.05510	31.6
57.07073	23.5
59.76061	4.3
67.05485	30.3
69.07055	11.0
71.04977	5.0
79.05483	9.3
81.07043	39.8
83.04976	100.0
83.08616	9.3
91.05475	13.4
93.07032	15.2
95.08602	24.5
105.07040	7.7
109.10165	13.4
121.10156	13.3
129.07013	7.6
133.10147	7.4
135.11739	7.6
147.08058	9.6
147.11696	17.7
175.01534	28.5
181.02585	36.3
227.04710	15.2
243.33362	5.5
257.05811	7.0
313.11972	33.3
340.26743	6.2
369.18292	10.0
382.65762	5.7
543.18872	21.3
577.44550	15.6
599.25470	51.2
655.31274	20.2
655.40387	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06749	1.8
54.20013	1.7
55.05515	9.0
56.25835	1.4
56.73072	1.5
57.03441	7.9
57.07066	64.2
61.02911	10.6
61.13884	1.8
67.05494	17.6
69.03431	3.2
69.07056	10.9
71.08617	49.9
73.02932	3.8
73.70605	2.2
73.97913	2.0
75.04476	1.9
81.07040	22.1
83.08606	18.7
85.02894	15.5
85.10181	25.0
91.03944	10.9
95.08597	31.3
95.09137	2.3
97.02901	4.0
97.10207	5.8
99.11771	2.8
102.25583	1.9
106.90639	2.5
109.10157	15.3
123.11742	4.7
125.13394	2.7
125.94666	2.1
125.96300	1.9
127.03914	4.3
137.13280	3.2
145.05014	4.2
163.06117	6.3
171.16603	2.2
174.69434	2.1
174.98819	2.6
194.28548	2.1
239.23656	25.2
257.24811	3.4
298.27499	3.6
313.27335	100.0
331.28339	11.2
496.55179	3.2
644.27393	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	655.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.0
56.97201	2.6
57.03416	6.8
57.07074	69.0
57.20247	3.5
59.73672	2.4
61.02927	16.2
67.05507	21.2
67.33887	3.3
69.07057	16.8
70.19418	3.0
71.04979	3.7
71.08624	52.8
73.02908	4.0
75.04478	3.4
81.07057	30.1
83.08614	19.0
85.02908	20.9
85.10178	28.7
91.03955	19.2
93.07029	4.4
95.08599	46.1
97.02888	10.9
97.10128	5.2
98.34741	2.8
99.41880	3.0
109.10115	17.2
109.83487	3.6
123.11662	6.4
127.03934	6.5
129.75858	2.9
141.40825	3.4
145.04965	7.6
162.10800	3.7
163.06024	9.2
183.54549	3.3
217.94774	3.6
238.72272	3.7
239.23674	24.5
298.27219	4.7
313.27350	100.0
331.28406	14.8
677.55640	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	656.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63966	17.2
50.65577	15.6
54.88745	14.5
55.05502	46.5
57.48647	17.5
67.05487	52.4
72.96655	18.0
73.24691	16.4
75.02686	17.0
79.05482	21.3
81.07044	29.7
82.47418	19.2
83.08591	21.5
91.05441	36.6
93.69871	24.0
97.10164	42.8
105.07008	29.9
107.08522	25.3
117.07010	47.1
125.09651	23.8
129.06973	31.2
131.08534	55.9
145.06508	30.9
145.10127	24.2
155.08516	29.9
189.11259	32.8
197.13197	26.7
215.14400	48.2
218.24887	25.1
273.27960	20.5
339.22940	24.7
367.22693	28.3
378.56393	21.6
422.67908	23.8
441.26096	43.7
459.27219	100.0
477.28714	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	656.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	29.1
56.49484	13.3
61.54760	14.0
67.05495	47.8
69.07068	17.5
74.78966	14.8
79.05493	36.4
81.07047	90.2
91.05462	50.5
93.07024	76.7
95.08604	100.0
105.07018	60.9
105.23741	17.9
105.81135	15.6
107.08587	51.3
109.10136	66.1
116.08730	16.4
117.06981	26.5
119.08588	58.5
119.85667	16.4
121.10141	51.0
129.06995	20.8
131.08580	37.1
133.10144	59.6
135.11653	22.4
145.10112	39.8
147.11678	36.4
159.11719	35.2
194.69562	18.2
197.13257	20.4
249.08391	18.4
306.50732	19.7
338.23187	19.8
639.39227	22.2
644.20630	19.8
673.11108	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	657.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84793	2.9
70.06625	2.8
80.49085	2.6
81.59039	2.6
90.86503	3.0
146.55782	3.4
158.05864	4.0
186.05257	18.1
280.22623	3.2
285.08429	5.4
296.29724	4.6
332.58017	3.7
343.95535	3.8
351.00360	3.3
448.14743	94.6
491.16739	20.4
657.25226	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	657.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	49.9
55.32911	4.4
57.03420	15.9
57.07058	11.5
58.41880	5.5
65.59670	4.6
67.05499	76.2
69.07060	92.4
71.04982	11.9
71.08683	6.6
73.06506	5.8
79.05476	33.9
79.48248	5.1
81.07047	100.0
83.08608	51.9
85.06527	5.9
86.67272	7.0
91.05476	19.6
93.07025	36.2
95.05036	6.4
95.08601	85.6
97.06511	8.4
97.10165	45.2
105.07059	18.0
107.08581	20.0
109.09502	6.4
109.10143	34.2
111.11736	19.4
117.05474	35.3
119.08570	17.2
121.10177	31.1
123.11710	15.3
133.10132	27.0
135.11697	29.9
137.09602	6.1
137.13260	10.6
139.11137	7.1
147.11673	20.9
149.13287	6.0
152.38226	6.6
153.12737	9.7
161.13277	20.2
164.79204	5.6
165.12737	11.1
167.73555	7.3
170.31386	7.3
175.14830	7.0
179.14455	5.9
198.38052	7.2
217.19525	22.4
225.56267	5.9
235.20654	43.5
253.21626	50.2
271.22696	12.0
273.42032	7.1
309.24194	13.2
327.25351	45.0
358.53918	6.4
369.26477	9.5
551.73547	7.0
600.36383	7.6
678.01093	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	657.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	37.6
57.03428	10.1
57.07058	6.3
60.96087	3.4
62.88586	4.1
65.03944	3.8
67.05495	70.6
67.05827	6.0
69.07056	61.2
71.04995	5.0
71.08601	4.5
73.06557	3.9
79.05473	23.3
81.07043	100.0
83.04961	5.2
83.08620	25.0
85.06539	7.4
91.05473	19.8
93.07034	43.2
95.08592	79.9
97.06544	12.0
97.10166	26.8
99.08114	4.3
105.07027	21.7
107.08608	19.7
109.06553	4.5
109.10166	36.0
111.08088	8.4
111.11749	7.2
114.60775	3.9
117.05516	12.4
117.94288	4.3
119.08618	16.8
121.10128	36.7
123.11708	10.8
125.13184	3.7
133.10141	15.5
135.11685	24.4
137.04584	4.5
137.13239	6.8
139.11180	4.9
147.11742	11.1
149.13310	5.8
151.11194	4.9
161.13297	7.5
165.12762	4.2
181.87729	4.0
217.19579	15.8
235.20512	20.6
253.21463	18.7
274.64578	4.3
278.69159	4.6
309.24417	12.1
327.24991	6.2
487.41330	11.2
561.45129	5.1
579.46021	12.5
586.18481	5.1
615.70319	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	658.216
Annotation	Unknow
Peak:m/z	Relative Intensity
75.07997	5.7
77.97898	7.0
85.02904	7.3
90.59432	7.1
103.05467	21.3
122.02715	10.1
124.51385	6.9
125.05947	9.5
131.04115	7.0
131.04919	45.7
137.05972	100.0
149.05994	17.4
153.05493	13.7
159.73019	7.3
163.07495	13.1
177.05417	13.1
186.37996	7.3
187.07547	7.9
256.95496	8.0
267.75494	8.4
311.12680	13.5
352.66263	7.3
357.12836	9.3
396.63092	7.9
427.76907	8.5
434.11249	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00324	2.0
53.40741	1.7
57.07072	11.0
57.81071	1.5
58.06588	4.2
65.03932	2.4
68.35324	2.0
70.06583	39.9
71.08624	5.6
73.79414	1.7
88.07619	47.6
95.81333	1.8
102.09173	32.9
112.72015	2.0
120.81763	1.8
141.66805	2.1
149.02339	62.0
149.03516	3.7
171.05678	2.2
177.05389	2.8
193.04953	73.3
193.06671	3.8
237.07555	21.7
241.25017	2.6
256.26318	75.3
257.26688	2.6
313.07059	2.3
341.06534	12.0
359.07602	7.2
385.09070	25.2
429.11725	34.7
429.50534	2.4
603.70862	2.7
658.35797	100.0
659.36145	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	658.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	5.1
57.03434	11.8
67.05495	18.8
69.07056	5.0
71.08631	1.3
72.17029	1.4
73.02921	1.5
79.05484	13.8
81.07049	100.0
83.08612	2.2
85.02887	3.5
91.05441	3.2
93.07020	8.7
95.08580	14.3
99.08108	5.4
105.07024	2.5
107.08588	6.1
109.06480	2.0
109.10188	4.9
117.06917	1.9
119.08554	3.8
121.10145	5.0
127.07576	6.3
131.08554	3.1
135.11716	2.3
145.08588	5.0
147.11671	2.3
149.13258	2.4
167.49187	1.6
186.99313	1.7
195.11588	2.0
201.11206	38.8
212.57570	1.9
261.22180	6.5
335.25821	26.4
369.31464	2.2
461.32620	8.7
625.96259	1.9
671.70520	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	658.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09946	2.7
55.05514	11.7
56.15237	2.8
56.20951	2.5
56.47272	2.3
57.03439	13.6
59.05005	3.7
59.28987	3.0
61.02922	3.6
67.05496	100.0
69.07085	9.1
71.05020	4.5
76.21452	2.7
79.05483	27.4
81.07053	46.2
82.52048	2.7
83.08649	5.9
85.06551	4.2
91.05462	16.4
93.07027	31.6
95.05008	4.8
95.08591	20.9
99.08139	3.6
105.07050	8.3
107.08635	11.4
109.10155	68.3
109.10837	3.9
117.07083	3.6
119.08601	12.8
121.10117	18.5
123.11674	4.6
131.08601	8.0
133.10173	8.8
135.11739	13.0
145.10156	5.6
147.11673	3.6
149.13237	3.6
155.10715	5.6
159.11734	4.4
173.11800	15.0
173.13170	4.2
215.18077	13.2
229.14293	59.0
233.19167	12.5
307.22623	46.3
445.89270	3.9
461.32730	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	658.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41831	2.3
55.05507	26.8
56.51291	2.5
61.05713	2.8
66.27775	2.4
67.05497	86.7
67.05831	4.8
69.07057	26.8
70.70717	3.1
75.93636	2.6
79.05489	26.3
81.07048	100.0
83.08613	24.1
85.06554	5.8
86.39529	3.9
89.06050	14.6
91.05474	27.2
93.07041	41.8
95.05006	3.5
95.08598	82.1
97.06547	6.5
97.10194	14.4
99.08125	3.2
101.30524	2.9
105.07018	17.4
107.08581	19.9
107.57281	3.2
109.10152	40.5
111.08106	7.7
111.41877	3.6
113.09702	2.9
117.07046	4.5
119.08625	12.4
121.10143	40.5
123.11749	9.4
131.08601	13.9
133.08635	8.3
133.10127	21.0
135.11668	26.4
136.79341	4.1
137.13292	7.4
145.10193	11.0
147.11746	10.8
149.13303	8.3
151.11197	4.5
153.15753	3.3
156.88979	3.2
159.76674	3.1
161.13387	3.6
168.36702	3.3
215.18022	11.4
217.19615	3.6
233.19193	10.1
235.20625	7.9
251.20018	25.2
253.21638	7.3
290.39709	4.0
353.11472	3.5
449.37097	4.3
459.28391	4.2
467.38864	15.3
485.39847	56.8
503.41052	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	658.526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33555	1.5
53.03947	1.8
55.05503	14.5
56.50051	1.7
56.86675	1.8
57.03431	11.7
57.07070	48.5
58.81013	2.1
67.05496	43.5
69.07053	18.3
69.48334	1.8
71.08621	33.9
79.05479	11.7
81.07051	51.4
83.08608	18.0
85.06554	3.6
85.10171	19.5
89.06016	7.5
91.05491	11.5
93.07028	21.2
95.08604	50.0
97.06501	4.5
97.10148	6.0
99.08088	2.7
101.05991	2.5
103.07585	2.7
105.07006	3.6
107.08582	12.9
109.10147	22.6
111.08095	4.1
111.11774	3.1
115.46115	2.4
121.10136	14.2
123.11711	7.7
131.08553	3.0
133.08655	3.3
133.10118	10.3
135.11673	6.8
147.11714	3.0
149.13208	3.1
170.68871	2.7
201.19170	2.6
215.17934	3.6
233.19014	3.8
235.80551	2.4
239.23505	2.9
251.19948	3.5
307.22641	7.6
313.27344	100.0
325.23688	23.0
355.28238	4.2
464.87198	3.1
545.45306	6.3
563.46765	34.8
623.48926	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	19.1
56.71617	13.2
57.44667	15.6
67.05489	79.8
69.07063	32.3
70.53690	15.3
75.68771	17.5
79.05484	31.7
81.07053	100.0
83.08604	37.4
89.06039	58.2
91.05468	46.9
93.07030	41.8
95.08601	69.3
95.75285	15.8
105.07076	19.3
107.08547	22.5
109.10152	47.5
119.08588	21.4
120.76318	17.3
121.10150	41.9
125.23010	15.6
133.08623	52.4
141.77545	15.9
147.11707	26.3
158.84602	19.2
176.89183	19.8
233.19009	41.0
238.59174	20.5
305.29541	23.2
331.97690	20.9
485.40002	24.1
486.40378	29.9
503.40509	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	659.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84479	18.2
66.40163	19.5
77.47605	18.5
148.87170	25.9
206.77280	28.5
217.04735	100.0
256.61069	26.8
258.07266	31.9
271.13107	88.4
659.24384	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00016	6.8
54.30890	6.4
65.42451	7.8
67.03143	7.0
84.19886	7.6
89.18433	8.3
91.71040	10.3
96.76852	9.0
98.53719	8.2
199.29347	8.3
217.04669	100.0
238.49275	8.6
244.35843	9.6
271.12997	61.1
278.53543	9.4
286.08826	9.8
299.17917	9.4
303.24081	10.1
312.15912	11.1
366.11572	9.5
460.73877	9.8
659.25391	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	659.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19774	7.0
57.07085	10.1
60.70272	8.6
64.49049	7.6
89.06053	17.5
91.71641	10.6
120.00167	8.9
152.77600	9.9
204.62688	11.9
205.63246	11.2
282.89749	10.3
321.03842	18.9
476.21405	57.6
477.22290	85.8
496.44958	11.5
535.97931	11.1
615.43994	11.8
659.42780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19191	4.1
53.57636	3.8
64.57320	4.6
112.01207	5.0
134.60725	5.5
136.61754	5.6
185.94232	5.5
204.02306	6.0
234.18184	6.0
311.70026	6.7
319.53741	6.2
321.03708	18.7
378.05615	6.7
408.27109	5.5
433.23550	7.2
476.21713	57.2
477.22571	67.5
615.43597	16.6
659.42816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96973	4.5
54.40949	4.0
60.38563	4.9
61.72422	4.4
89.06033	7.6
141.09843	5.8
143.12234	5.0
165.34546	6.8
203.71002	5.1
284.21097	6.0
287.04453	7.0
309.00198	6.9
321.03784	18.3
337.15015	5.9
369.16797	7.3
476.21686	44.9
477.22415	67.1
609.20636	5.9
615.43848	9.8
623.08606	6.3
659.42853	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
63.90325	5.6
66.61985	5.0
89.06017	11.3
101.54940	6.0
112.34275	6.7
254.97816	7.5
264.04102	7.1
321.03741	21.2
366.15604	7.9
474.18573	7.6
476.21735	50.7
477.22562	66.2
615.43964	13.3
653.24774	10.2
659.42755	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33948	6.8
50.71727	8.1
55.05499	66.9
57.03423	19.6
57.07061	42.4
67.05488	91.0
69.07058	84.1
71.08627	31.1
79.05468	22.4
81.07041	100.0
83.08613	65.7
85.06498	9.6
89.06041	15.6
91.05505	12.2
93.07050	38.3
95.08600	66.7
97.10167	30.3
104.65750	8.2
105.07045	17.8
107.08591	30.3
108.92661	9.5
109.10152	40.2
109.56346	10.2
119.08591	16.5
120.30647	9.3
121.10136	32.9
125.09638	11.7
133.08617	15.0
133.10164	14.6
135.11693	29.3
142.89838	10.0
147.11694	12.9
181.12639	11.1
219.21112	9.8
237.22177	13.3
242.54601	11.2
254.66113	9.5
256.34500	11.2
309.24203	23.1
311.25882	15.8
327.25262	67.6
329.26648	64.1
435.99435	10.0
581.47516	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	660.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33508	1.7
53.00283	2.1
55.05502	3.6
56.12444	1.9
57.07070	37.5
57.46972	2.1
71.08619	37.5
73.06537	9.3
83.08601	4.1
85.10176	31.0
87.04448	9.7
89.06020	100.0
99.57512	2.4
107.82402	2.2
114.09121	2.8
117.09119	12.0
121.06555	4.3
129.91399	2.4
130.08641	26.2
131.07198	2.5
133.08597	57.2
175.09726	3.2
177.11218	23.9
221.13867	2.7
226.21718	6.5
229.21617	13.8
242.55498	2.4
243.66789	2.8
273.24207	7.2
514.34027	2.6
629.39087	2.7
643.46014	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	660.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05219	10.3
55.05490	17.6
57.03425	19.0
57.07060	44.4
67.05486	83.6
69.07033	13.0
71.08624	59.7
81.07031	41.4
83.08601	21.4
85.10163	28.6
91.05477	11.8
95.08587	30.9
97.10165	13.7
109.10150	92.5
125.09621	10.7
128.58319	9.9
130.51466	10.0
173.11693	15.7
227.12607	19.8
229.14316	100.0
238.21782	11.5
254.01166	12.4
260.78729	11.2
277.21350	14.7
288.82455	10.4
295.60944	10.9
313.27228	66.0
341.17001	13.7
467.37192	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	660.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	25.2
55.22287	10.7
57.03417	24.3
57.07061	30.0
57.83857	11.2
61.94528	11.1
65.10754	10.0
67.05497	100.0
71.08611	37.5
79.05500	12.7
81.07044	19.4
83.08602	30.3
85.10152	19.0
95.08616	37.9
109.10141	76.1
110.32276	14.7
112.86678	13.1
119.36748	14.0
154.28276	12.8
229.14275	74.2
313.27344	70.1
467.36972	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	660.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08399	6.1
52.79955	6.6
55.05501	23.9
55.40357	6.0
57.03433	17.7
57.07069	66.2
67.05495	32.1
69.07061	33.1
71.08607	48.5
71.88022	6.8
79.05457	9.8
81.07053	50.7
83.08620	23.2
85.10175	24.5
93.07045	11.9
95.08615	39.5
97.10178	13.9
102.27561	8.0
102.43594	7.3
109.10160	25.2
121.10191	10.5
127.49455	8.2
185.15674	10.0
205.12375	8.1
239.23640	12.3
276.71866	8.4
309.24609	13.3
313.27341	100.0
327.07794	11.0
327.25354	21.1
358.33228	10.9
452.91031	9.2
519.86908	9.0
565.48199	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
77.69645	5.8
88.79126	5.0
91.71017	10.4
147.04344	5.8
196.32651	6.8
468.01062	8.0
544.37646	7.5
661.32025	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3219
Annotation	Coproporphyrinogen I
Peak:m/z	Relative Intensity
50.92080	3.9
53.29798	4.2
53.84838	4.6
55.05511	6.2
61.87511	5.1
67.05492	35.2
69.07077	16.2
71.05014	5.3
72.08157	9.5
79.05511	5.7
81.07054	44.6
83.08596	5.2
86.09713	27.9
93.07046	7.4
95.08603	29.9
95.20271	4.5
105.07056	8.1
107.08669	8.1
107.52744	5.1
109.10195	20.7
121.10222	9.7
123.11764	12.4
124.05756	5.5
133.10208	7.1
135.11821	7.6
170.26460	6.0
220.93416	5.9
239.80116	6.6
240.04221	10.7
255.06647	5.6
261.22205	11.9
268.03705	13.4
279.23181	67.3
283.06039	13.0
283.20889	5.8
296.03104	37.4
297.24249	41.5
311.05478	100.0
329.06448	7.8
351.82166	6.2
380.52274	6.4
424.38297	5.3
457.88916	6.2
666.67908	6.7
687.46753	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	661.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23405	1.3
55.05521	1.5
60.56071	1.4
69.07051	2.4
72.08151	32.0
81.66890	1.5
86.09701	100.0
91.71454	3.5
107.07895	1.6
107.37553	1.7
109.62957	1.6
112.11198	4.1
157.13358	11.8
168.30035	1.8
178.65053	1.8
185.12837	10.0
199.18147	2.5
225.19635	2.4
228.17125	1.9
254.15091	2.2
261.39151	1.9
282.18008	2.6
298.21301	4.6
319.58676	1.9
364.15521	4.1
435.18848	10.7
449.20602	2.3
454.33960	3.6
466.30063	3.8
477.23676	2.8
520.27850	3.0
528.49945	1.9
548.27454	4.8
593.09863	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	661.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	22.9
67.05500	83.9
69.07047	34.9
71.04979	8.5
71.98932	6.5
79.05478	26.6
80.35258	6.2
81.07045	100.0
83.08611	13.1
85.06524	7.8
91.05477	32.0
93.07024	34.2
95.04965	10.0
95.08601	69.2
97.06522	10.7
97.10163	15.8
105.07030	21.4
107.08580	34.6
109.10149	39.9
119.08559	18.6
121.10156	36.6
123.11683	9.0
131.08565	20.8
133.10138	30.2
135.11681	27.3
145.10135	15.9
146.48895	6.5
147.11690	16.6
149.09618	22.0
149.13329	8.5
153.09111	7.6
159.11765	8.7
163.11197	7.8
171.11705	7.2
177.12737	14.2
275.20032	40.3
279.23294	31.4
293.21063	68.9
297.24280	22.7
311.22232	18.8
361.24802	7.9
465.70023	9.0
571.43585	28.4
589.44531	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.516
Annotation	ubiquinol-7
Peak:m/z	Relative Intensity
50.46944	9.5
55.16262	8.8
59.71791	8.8
90.22880	10.9
95.09253	11.9
104.53470	11.1
104.58606	11.7
128.41060	10.4
128.72446	11.2
132.75414	12.8
197.41185	17.0
202.21400	15.7
204.27049	12.7
274.53021	11.8
297.58615	12.7
661.51862	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57196	10.7
67.05474	21.3
73.03927	10.9
74.15253	11.8
81.07031	21.6
85.02908	18.3
85.29317	11.7
90.84269	12.5
93.07033	26.4
97.02863	14.8
105.07018	17.4
141.43808	11.6
152.75826	14.2
281.94754	13.0
344.60403	14.9
349.65491	14.5
622.63116	15.5
663.36969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.4
57.03425	3.3
57.59533	2.0
61.02902	8.6
62.06097	1.9
64.77747	1.8
65.45051	2.4
67.00536	2.0
67.05500	6.9
67.53498	1.9
69.03435	5.0
69.07047	3.4
73.02904	6.7
78.70779	2.1
79.05476	6.0
81.07047	32.6
85.02891	7.6
87.04452	18.0
91.03931	5.0
91.05470	3.4
93.07076	2.8
95.08559	5.9
97.02908	4.8
101.02372	2.7
107.08560	3.9
112.36926	2.3
121.10214	4.0
127.03908	4.0
159.11696	3.3
243.08717	2.4
385.14722	12.4
519.29095	4.4
663.37079	100.0
663.48370	5.1
664.37292	5.3
689.19067	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	663.444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83755	1.9
59.32345	2.2
74.41132	2.3
91.71681	4.3
124.18785	2.5
187.73271	2.7
192.47345	2.7
269.68863	2.8
300.13931	2.5
543.40210	10.8
603.41632	5.8
653.01404	2.9
663.44446	100.0
683.38031	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	663.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98983	2.9
57.07084	3.3
57.27583	2.9
61.91295	3.4
83.97926	3.8
84.03590	4.0
91.70968	5.6
99.68387	3.3
112.60111	3.6
131.12228	4.2
156.33487	3.9
159.66692	4.3
213.03198	4.3
229.89717	4.6
248.52423	4.9
351.67972	5.4
367.62762	5.7
486.98874	4.7
635.59155	5.0
663.44519	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	99.7
63.25785	3.8
72.93604	3.5
76.61981	4.2
79.74050	3.3
91.05507	8.7
105.07115	3.9
116.35370	4.4
120.05950	4.5
127.01890	4.0
147.11752	8.3
195.06737	4.3
225.70651	6.2
225.93869	4.3
233.03815	7.6
251.04808	16.3
263.16934	4.9
288.34683	5.1
311.21893	4.1
327.07764	100.0
327.11224	6.9
359.44333	4.2
383.14099	64.3
439.10226	4.8
439.20248	75.1
467.05112	4.5
495.26596	72.2
551.32684	73.2
571.38672	5.2
607.38818	58.9
663.45575	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	663.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06809	5.8
57.07070	90.2
58.23883	2.7
67.22331	2.6
75.91512	2.8
91.05455	7.5
91.79391	3.1
118.97948	3.5
147.11699	8.4
153.07027	6.4
168.99066	4.2
233.03642	8.7
251.04593	18.1
327.07761	100.0
333.71317	4.7
366.66757	4.0
383.14063	50.2
424.16742	4.6
439.20291	55.3
491.24725	4.1
495.26556	61.1
551.32819	62.9
552.32874	4.5
607.38898	43.8
608.39502	7.4
663.44977	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	663.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.2
57.07073	18.2
61.85378	1.8
67.05502	2.6
69.07062	3.5
70.71212	1.8
71.08627	4.4
81.07040	4.9
95.08615	4.7
96.63027	2.2
121.22662	2.6
128.92355	2.3
168.55617	2.5
203.76721	2.6
236.84038	3.0
291.19406	5.8
306.14630	2.6
311.02167	2.5
313.27780	3.4
327.07925	9.6
347.22000	3.7
351.21347	11.6
383.14444	3.2
407.24197	3.4
439.20285	6.5
495.26443	5.6
531.47528	3.3
551.33215	4.7
603.46527	3.5
607.39124	4.9
663.48065	100.0
664.48468	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06859	12.8
55.25824	14.6
56.71496	13.4
57.26312	12.3
67.05495	15.1
70.06584	43.5
73.12595	16.5
75.95652	14.2
77.50012	15.3
81.98745	15.0
95.04957	27.2
107.77812	16.7
123.04408	83.3
139.03897	74.0
151.03877	72.4
153.96025	19.4
179.03381	50.6
179.07053	63.2
194.61702	19.8
196.09721	33.9
213.05659	18.0
308.09174	28.7
309.07483	71.7
317.06699	17.7
326.10077	17.3
328.96893	15.6
339.08505	35.3
362.12082	19.0
548.03845	18.8
664.20239	100.0
666.69904	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	664.354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	7.6
57.03432	13.6
58.71693	4.4
66.04690	5.6
66.42910	4.9
66.68752	4.5
67.05499	37.3
68.40868	5.2
69.03441	5.4
69.07053	31.6
71.09492	5.0
73.64105	4.8
76.40380	4.9
79.05491	15.4
81.03378	9.6
81.07047	100.0
83.08602	7.9
85.02891	18.0
86.03957	6.1
91.05482	12.2
93.07043	16.9
95.04950	8.7
95.08603	13.2
97.06541	8.3
99.08128	5.6
107.08592	13.5
119.08543	7.0
129.60439	5.2
131.08563	7.4
133.10172	7.6
135.08044	13.3
135.11687	7.5
155.12201	5.3
168.73041	6.1
195.13792	10.8
201.11266	18.3
203.53137	6.3
236.17641	5.7
252.70598	5.2
266.06604	5.7
269.17474	27.7
273.13528	9.1
386.85654	6.2
395.24191	12.0
467.26303	11.0
484.37036	6.2
485.27136	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	664.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68536	1.2
59.04994	100.0
72.65244	1.2
73.02911	4.8
73.04735	1.9
73.06564	2.5
77.51424	1.4
88.85005	1.5
89.06022	4.3
91.05798	7.7
100.07613	3.6
103.07574	65.0
114.07372	13.5
115.07581	3.5
133.08600	2.5
147.04721	5.8
147.10156	15.2
167.05634	1.4
176.06813	1.8
181.07077	2.8
191.07344	2.8
207.08699	2.9
221.08366	2.4
239.09399	15.9
242.94571	1.8
251.11403	4.2
338.73465	1.8
601.67346	1.9
664.39227	5.0
682.70087	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	664.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55865	9.3
57.07068	100.0
74.02431	9.5
79.78711	12.1
87.04483	17.4
89.06039	97.4
99.51321	9.8
105.06974	11.0
118.48005	10.8
121.06541	36.4
123.00408	11.0
130.08690	32.7
133.08598	54.9
153.05530	34.3
175.07555	12.9
177.11250	20.6
196.37471	11.0
233.19046	13.3
259.13394	20.8
277.21661	31.1
476.25946	15.6
639.16431	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	665.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30916	1.9
86.09676	3.1
87.48212	2.5
132.15543	2.5
137.51076	2.3
144.08279	2.9
158.53864	2.6
177.32669	2.8
292.19986	4.6
334.02521	2.8
338.35699	2.7
347.20709	3.4
460.28830	3.2
544.34448	3.3
573.37415	7.2
601.36816	100.0
602.37219	3.5
665.36737	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42328	5.6
56.79852	5.5
57.07069	11.5
114.88628	6.4
132.88559	7.3
349.82666	8.7
665.49579	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	14.9
56.48280	6.5
67.05494	39.2
69.07063	15.4
81.07040	43.7
83.08605	10.2
84.04488	39.6
93.07050	15.7
95.08620	31.7
97.65070	7.7
104.42649	9.4
123.51308	7.9
129.90756	8.9
130.05022	17.9
174.63365	8.4
178.03136	40.6
182.54549	9.6
192.02925	12.1
194.02739	29.9
194.23116	8.5
204.01248	11.8
205.97871	8.4
208.00589	13.8
218.06406	12.0
220.04202	11.6
222.02174	100.0
232.04321	26.8
232.08014	10.4
234.06018	16.3
263.04712	10.4
295.08215	11.5
329.38922	10.2
398.21329	66.7
416.22549	50.4
434.23215	16.3
501.23907	35.0
519.25208	64.8
542.93347	11.4
591.27173	14.6
666.29791	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	668.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	10.1
57.03413	6.7
57.07065	12.4
61.02905	21.6
66.76199	5.0
67.05495	65.5
69.07061	14.7
73.02922	10.3
77.22878	4.8
78.63776	5.5
79.05492	18.5
81.07048	82.9
81.07485	9.5
83.08609	14.6
85.02907	34.2
85.06551	7.1
91.03941	20.8
91.05473	14.4
91.71107	5.4
93.07040	16.5
95.08595	69.7
97.02905	6.6
105.07037	6.6
109.10167	24.0
113.09679	6.0
119.08582	17.4
121.10139	22.4
123.11726	17.9
124.50746	5.2
127.11250	6.6
133.10127	19.6
135.11667	19.3
137.13199	13.5
145.04956	10.4
147.11714	14.2
149.09477	6.3
151.14833	8.2
161.13231	12.2
163.06046	19.1
178.13965	6.7
217.19507	61.1
235.20544	100.0
235.22864	9.9
309.24350	24.1
327.25156	14.7
532.18091	6.6
588.68909	6.9
692.16742	7.7
693.15894	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	668.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	13.3
57.03410	15.4
57.07069	10.7
61.02906	29.0
62.17735	7.1
67.05489	80.2
69.07059	27.1
73.02900	10.2
79.00880	7.1
79.05473	9.6
81.07043	100.0
83.08603	15.4
85.02888	30.5
91.03944	20.0
91.05478	18.3
93.07032	24.1
95.08605	66.8
97.02894	19.1
99.08096	12.2
105.07017	12.8
107.08576	19.1
109.10176	24.6
110.21200	8.1
119.08591	18.6
121.10162	24.5
123.11683	14.8
127.03885	9.8
133.10159	16.4
135.11674	23.0
137.13297	12.6
138.65051	9.0
145.04941	12.4
147.11653	16.1
151.52357	8.7
156.03490	8.1
161.13286	20.5
163.06001	19.1
217.19492	63.3
235.20563	89.0
309.24249	43.2
366.70694	10.2
603.84021	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	669.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
77.81097	10.3
80.94681	9.5
99.96420	10.2
102.75688	10.7
111.88049	11.4
115.56909	10.8
116.20558	11.7
132.53833	11.5
167.36412	11.7
175.76024	11.4
188.48326	10.0
494.23608	13.4
568.24939	12.8
569.23059	42.3
570.23755	32.3
584.25433	25.7
669.32001	100.0
669.46466	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.47
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17700	10.2
59.50706	8.9
88.33397	11.2
186.46301	13.1
189.28134	12.4
195.88905	13.6
303.13132	13.5
376.46133	17.2
410.25711	16.0
499.00449	16.0
655.38025	14.4
669.46924	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	17.1
63.51631	6.2
67.05502	81.4
68.09605	7.4
69.07056	26.6
73.29395	6.6
79.05468	17.9
81.07043	100.0
83.08616	15.1
87.51459	6.7
91.05467	30.4
93.07043	32.0
95.08595	87.9
97.06521	7.9
97.10154	15.8
105.07037	13.0
107.04993	9.1
107.08598	21.4
109.10160	35.0
119.04945	17.9
119.08555	10.6
121.10145	37.3
123.11732	22.4
132.71587	7.5
133.10155	21.0
135.11668	22.4
137.13222	10.4
147.04385	68.8
215.17970	11.9
233.18942	11.1
251.19981	18.0
255.70126	7.9
314.55380	7.4
397.42569	8.4
440.32678	7.9
486.16309	8.2
662.43042	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	670.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14386	4.1
53.03920	5.3
55.01836	4.4
57.07061	8.2
59.33329	5.1
62.71381	4.9
79.05457	6.6
85.06536	7.2
95.04943	15.3
97.02886	11.2
103.05467	18.5
105.07018	11.3
106.04172	16.8
107.04955	12.5
107.08614	7.5
107.98042	5.3
121.06514	10.4
123.04412	7.8
131.04932	21.2
131.08493	7.1
133.06483	12.5
135.04399	8.1
137.06053	5.9
138.90929	7.5
147.04385	7.3
149.05948	29.1
153.05470	9.0
161.06020	12.8
163.03978	6.5
177.05449	100.0
195.06664	11.7
219.06578	11.1
266.06094	7.8
371.11411	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	670.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89804	3.3
52.30452	2.4
54.28249	2.8
55.01858	3.5
57.07063	6.1
59.01963	2.2
59.21985	2.3
60.01404	2.1
70.06551	2.6
78.00693	2.6
79.05486	6.4
85.06499	3.5
91.05471	12.1
95.04986	6.3
103.05447	17.1
105.03353	3.0
105.07021	5.7
106.04168	11.6
107.04956	7.1
111.04432	2.7
117.03400	3.7
119.04974	4.1
121.06486	9.4
123.04489	3.1
125.06033	3.9
131.04926	13.5
133.06479	9.2
135.04430	8.0
137.05959	4.7
147.05452	3.8
148.27228	3.2
149.05991	26.3
149.66644	2.9
153.05411	4.5
161.05989	7.6
163.03894	3.1
167.07045	7.6
177.05449	100.0
179.06989	4.7
189.05518	7.6
195.06479	5.0
206.94508	2.9
207.06458	3.7
247.13345	6.0
281.08020	4.0
353.10532	3.9
371.11215	15.6
432.42911	3.7
680.99725	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	670.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.6
55.05515	22.9
57.03425	11.0
57.07061	6.2
57.12761	3.8
67.05497	33.3
69.03415	17.3
69.07059	55.3
70.39613	3.6
71.08633	3.5
76.74565	3.7
79.05486	12.5
81.03417	11.5
81.07047	48.5
83.08612	23.5
85.02898	26.8
87.00834	6.4
91.05476	10.9
93.07029	15.3
95.08599	51.5
97.02887	8.9
97.06509	4.8
97.10153	19.5
102.36122	4.5
105.01854	4.9
105.07055	10.9
107.08571	14.4
109.02901	10.6
109.10155	19.0
111.11739	5.3
119.08607	6.2
121.10132	16.3
123.11691	6.2
127.03928	15.1
133.10150	12.3
135.11697	21.1
140.11102	5.3
147.11687	6.0
149.13274	8.0
159.02884	5.4
165.12799	4.5
217.19537	9.0
235.20653	9.7
248.90523	4.5
253.21628	11.0
277.60880	5.7
309.24026	7.4
313.20792	5.7
327.25272	100.0
366.08875	5.5
387.27371	70.4
465.58017	5.2
575.30292	7.5
635.32892	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	670.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	43.3
57.03414	12.9
57.07061	16.8
59.04999	7.3
61.02900	18.2
67.05495	44.2
69.07053	52.7
69.84640	6.8
71.08604	15.3
78.15064	7.7
79.05468	12.3
81.07053	66.7
83.08601	50.1
85.02907	39.4
85.10198	8.3
91.03934	32.3
93.07034	35.9
95.08623	39.5
97.02880	18.5
97.10166	36.3
107.08582	23.1
109.10172	22.4
117.38200	8.7
121.10116	41.3
121.32480	7.6
126.60934	7.8
128.41635	8.0
135.11674	47.2
137.13278	11.7
145.04962	11.0
149.13261	9.7
163.06013	15.6
174.24417	7.6
185.41905	8.3
186.57448	10.0
193.85512	8.7
209.63560	9.9
219.21059	37.1
237.22092	75.9
255.23215	17.0
297.86023	8.9
311.25732	100.0
327.33698	9.5
329.26761	51.0
336.26395	8.9
376.61313	9.0
387.20474	8.7
454.37225	10.7
489.87631	10.3
620.52081	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	670.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	29.9
57.03419	8.8
57.07069	16.2
61.02920	31.1
67.05172	3.4
67.05502	43.1
69.03417	6.5
69.07062	53.5
71.04962	2.6
71.08614	9.9
73.02905	10.7
78.22654	2.1
78.78653	2.3
79.05484	16.8
81.07049	73.0
83.08609	49.4
85.02892	44.6
85.10178	3.5
91.03947	35.0
91.71696	3.9
93.07038	29.2
95.08604	51.6
97.02892	22.3
97.06522	11.1
97.10165	30.0
99.08103	3.2
101.09668	2.5
107.08584	20.3
109.10163	20.8
111.08120	7.7
111.11711	6.5
113.09632	3.1
116.62068	2.6
118.71013	2.1
121.10140	50.7
123.11704	18.7
127.03947	14.4
135.11702	37.3
135.12708	4.8
137.13237	10.6
139.11185	4.9
145.04947	18.6
149.13263	15.2
153.12802	2.9
163.06009	24.8
163.14861	5.6
178.64342	2.3
197.84860	2.7
219.21054	45.1
237.22107	100.0
255.23111	15.7
311.25772	67.0
329.26804	72.6
345.59799	3.2
623.61078	3.6
644.00244	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	670.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	5.4
56.05033	13.3
57.07072	12.2
60.04516	22.2
60.05236	1.9
61.07659	2.2
66.97720	2.1
67.05499	4.6
69.07043	3.4
70.06567	2.4
71.08614	9.2
71.14441	2.4
72.08147	25.5
74.06068	30.5
81.07043	4.8
83.08597	2.8
84.04491	6.3
85.10168	5.7
86.09174	5.2
86.09701	100.0
95.08598	8.1
97.07645	2.7
102.05545	2.5
109.10159	7.4
116.07147	2.7
118.08662	5.6
125.07097	8.7
128.10771	4.7
136.06236	2.9
138.09171	2.8
153.06612	7.4
173.12880	11.6
175.07210	3.8
183.17403	6.8
201.12289	6.8
210.22182	3.0
231.17061	15.5
238.21738	17.4
250.50273	2.9
256.22708	3.4
266.21140	31.4
270.14447	13.9
284.22153	4.5
288.15390	4.9
307.23752	2.9
325.24762	11.1
335.23260	16.0
353.24268	5.5
404.25204	8.8
405.23599	12.4
422.26486	10.5
440.27579	5.2
517.33545	3.3
535.34631	5.1
553.35638	4.9
667.82806	3.2
670.43317	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59712	68.9
65.20416	67.6
67.05508	69.9
75.57576	75.9
79.35689	66.3
93.19838	77.5
110.91389	70.3
113.56509	66.6
129.82974	73.6
149.78055	79.2
184.02058	78.2
251.95413	77.0
656.88837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	3.5
67.05494	4.9
79.02795	2.5
79.05518	3.2
81.07079	8.4
85.00491	2.4
95.08620	6.7
95.67039	2.5
107.08578	3.7
120.78902	3.6
144.69728	3.0
157.75273	3.3
158.83774	2.8
159.66808	3.0
169.40561	2.5
216.90178	3.2
220.76459	3.1
276.29410	3.1
314.98657	4.0
319.22375	5.0
375.24988	6.1
613.80829	3.4
638.38074	3.8
671.48560	100.0
672.48621	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96276	4.7
57.03422	6.5
68.31184	5.1
69.03408	12.0
71.04978	54.3
75.50021	5.8
85.02895	62.8
85.30035	6.4
91.05479	14.7
91.70992	11.7
114.78787	6.2
129.05466	10.1
129.06992	9.7
131.04955	6.9
137.05972	99.7
146.00951	6.0
147.04398	8.9
149.05974	17.1
150.06758	7.6
151.07542	63.3
152.67441	6.2
161.05893	10.3
163.07518	39.3
175.07529	35.4
189.09167	11.7
210.87083	6.1
221.06042	6.6
225.09138	8.5
236.50612	7.0
241.08604	9.1
253.08492	6.7
271.09653	15.7
273.11334	11.9
280.74039	5.9
299.12799	20.8
311.13034	6.7
317.13818	100.0
329.13812	8.8
331.11957	6.4
331.15704	7.4
346.85483	5.7
353.13339	9.3
383.14706	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	672.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20567	5.5
53.82503	5.4
57.07068	61.5
61.02924	14.7
67.05487	19.8
69.07041	13.9
71.08620	39.3
81.07051	27.6
83.08603	20.3
85.02889	18.8
85.10161	22.8
91.03954	12.0
95.08594	44.0
97.02881	13.5
97.10177	7.6
97.97295	6.1
109.10159	12.2
145.04918	7.9
163.06012	6.8
193.87402	7.3
239.23697	25.1
288.71201	7.3
313.27341	100.0
331.28406	29.3
335.07532	8.5
503.31177	8.6
503.48343	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	672.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	7.2
56.05278	3.6
57.07075	59.6
61.02907	20.9
67.05495	12.5
69.03427	5.3
69.07063	15.3
69.96553	4.2
71.08616	52.0
81.07047	23.0
81.76956	5.0
82.18012	4.7
83.08595	17.4
85.02908	36.0
85.10181	28.0
91.03953	19.0
95.08598	38.0
97.02891	13.8
97.10165	8.1
109.10158	18.6
127.03914	7.7
133.27235	5.8
133.55826	5.2
137.13284	6.0
139.49283	5.9
142.23520	5.7
145.04962	13.4
152.48625	5.3
161.92935	6.4
163.06055	8.0
181.68971	5.2
239.23672	20.6
246.58871	6.1
265.52591	6.5
313.27341	100.0
331.28406	49.0
381.22617	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	672.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.6
57.03437	11.1
63.73812	2.1
63.86718	2.0
67.05493	38.5
69.07051	6.5
73.68636	2.5
74.57719	2.0
79.05481	9.0
81.07043	21.4
83.04977	2.6
83.08635	2.3
83.40195	2.1
85.02901	4.1
91.05489	7.5
93.07025	14.0
93.41068	2.1
95.04964	2.2
95.08601	100.0
97.02928	2.5
97.06522	3.2
99.86446	1.9
100.51916	2.3
105.07047	4.1
107.08604	5.3
107.63839	1.9
109.10194	4.1
116.99607	2.4
117.06990	2.4
119.08549	3.5
121.10157	6.1
123.08094	2.7
133.10176	3.4
135.11729	5.3
138.03062	2.4
141.09109	3.3
159.10176	10.2
159.11736	2.8
183.86211	2.3
213.11266	2.8
215.12820	39.2
243.21065	2.9
261.22214	7.2
276.17288	2.5
335.25690	26.3
382.65622	2.6
475.34030	8.0
646.36871	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27585	5.4
53.94764	5.9
55.05506	23.3
57.03447	11.9
57.07079	7.9
62.51756	5.9
67.05490	83.8
69.07050	41.4
71.28246	6.9
71.94230	6.8
72.59376	7.1
76.48112	7.4
79.05503	17.1
81.07046	100.0
81.07479	9.1
83.08612	42.9
85.06533	7.8
89.06042	26.7
91.05499	17.8
93.07063	28.9
93.13438	7.7
95.08601	93.7
97.10184	20.1
107.08610	18.9
109.10172	33.8
111.11763	7.0
114.76044	6.8
121.10170	29.3
131.08598	8.3
133.08643	25.8
133.10170	13.8
135.11774	16.6
177.11061	9.0
210.62708	7.9
218.27736	8.2
225.35004	9.4
238.32343	8.5
325.23877	30.1
327.25241	68.2
379.33051	9.3
425.85629	8.9
577.44598	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	672.504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37038	2.5
55.05504	28.2
57.03415	8.3
57.07063	4.3
59.67448	2.4
62.56023	2.4
65.03960	3.7
65.86972	2.6
67.05495	82.1
69.07061	45.4
71.08614	3.0
74.68105	3.3
79.05475	19.7
81.07051	79.9
83.08611	31.1
84.08985	2.9
85.06509	3.0
89.69064	3.4
91.05472	13.4
91.71741	7.6
93.07043	26.7
95.08601	100.0
95.84468	2.8
97.06532	8.2
97.10162	20.8
105.07043	8.6
107.08602	14.5
109.10152	37.4
111.08073	5.5
111.11687	4.0
111.94903	2.9
111.97012	2.7
119.08597	9.1
121.10149	16.3
123.11715	10.5
125.07738	3.2
127.37900	3.2
131.08557	3.6
133.10149	13.2
135.11679	14.4
137.13187	4.8
145.10080	3.5
147.11688	3.8
188.95055	3.4
226.63185	3.4
307.22812	7.8
325.23740	28.1
327.25204	61.2
338.15549	3.4
347.78134	3.4
369.26511	4.5
411.02179	3.5
452.50729	5.1
559.43036	9.3
577.44556	49.9
578.45770	3.8
637.46545	9.0
647.39648	4.3
675.47803	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	673.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82418	6.5
65.42277	5.6
74.18607	5.6
85.77679	5.6
101.25508	6.8
102.94992	6.6
104.35054	6.7
127.26731	6.7
140.83055	7.2
198.32768	7.8
258.13889	7.9
287.32498	8.2
393.97769	7.4
464.12119	17.2
507.13992	26.7
529.51672	8.3
673.22699	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3406
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
56.65953	0.8
57.49984	0.8
57.50956	0.9
67.05481	1.0
75.86028	1.1
76.28348	0.8
81.07011	1.2
94.90569	1.0
132.65097	1.0
185.04230	1.4
203.05328	2.5
259.07999	1.3
311.08356	1.1
347.09641	1.6
365.10651	3.6
511.28772	23.7
673.34009	100.0
674.34192	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	673.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43088	0.8
59.67762	0.8
66.71757	0.9
347.09576	1.5
350.40564	1.1
511.28790	26.0
673.34045	100.0
674.34320	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	674.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63888	5.7
69.03450	7.2
74.44977	6.0
85.02918	15.4
120.51666	6.2
131.04921	13.8
137.05980	100.0
137.06958	10.3
141.68251	6.9
158.47021	7.2
161.06078	8.3
163.07541	16.0
202.44450	7.9
205.06621	15.4
208.71719	8.4
221.05820	12.3
222.06773	16.1
225.09148	17.6
233.06125	9.0
237.09212	29.6
246.92805	7.0
253.08630	20.1
254.46147	7.5
265.08603	69.0
285.11124	47.5
297.11130	70.5
315.12204	86.0
354.38455	8.1
437.67508	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	674.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08811	1.0
54.21149	1.3
55.14201	1.0
57.03383	1.3
60.08149	10.0
65.11961	1.2
67.05486	5.3
71.07359	5.4
75.31772	1.3
81.07049	4.6
86.09702	38.7
91.05473	1.3
93.06995	1.3
95.08604	5.1
98.98509	1.8
104.10706	1.7
107.08551	1.9
109.10135	2.0
112.00195	1.4
125.00000	20.8
140.70885	1.4
146.33385	1.4
165.04482	1.4
174.47751	1.4
184.07339	100.0
274.49274	1.7
332.07425	1.5
342.00723	1.8
364.00961	1.6
395.63553	1.8
420.65338	2.0
634.55994	1.5
674.43365	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	674.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	1.3
55.05489	2.3
57.07068	49.2
69.07066	1.9
71.08246	2.2
71.08620	31.2
73.02896	1.7
73.06562	9.2
73.06922	2.0
75.87630	1.4
83.08588	3.0
83.14035	1.3
85.10175	26.7
87.04453	12.6
89.06022	100.0
97.10172	2.4
99.11742	2.5
107.07021	2.1
112.21919	1.4
114.09164	3.2
114.26710	1.7
117.09110	11.4
130.08633	28.0
131.06985	3.4
133.08601	57.5
133.28484	1.5
177.11215	18.2
221.13849	3.6
240.23222	4.4
243.23222	8.3
256.44702	1.6
283.17398	2.1
287.25800	6.7
358.52982	2.0
605.58551	1.5
657.47321	4.1
674.50269	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	674.52
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05285	3.2
55.05505	35.9
57.03419	15.3
57.03656	3.2
57.07072	21.7
67.05496	73.2
69.07061	56.7
71.04993	4.9
71.08616	12.1
78.52040	3.6
79.05486	25.4
81.07047	100.0
83.04972	5.7
83.08614	43.4
85.06528	4.4
85.10175	5.1
91.05470	22.1
93.07034	48.8
95.08602	76.5
96.25909	2.9
97.06544	11.6
97.10169	28.0
99.08075	3.5
105.07021	9.8
107.08579	26.7
109.10136	38.2
111.08066	11.8
111.11721	6.3
117.05503	4.9
119.08573	11.0
121.10133	36.5
123.11716	12.5
125.09615	5.3
131.08569	8.7
133.10139	16.7
135.11690	29.4
137.67458	3.2
149.13281	16.0
151.11163	5.6
199.29883	3.6
215.17957	5.4
219.21088	4.9
219.86610	3.5
222.03709	3.1
233.19073	8.9
237.22174	7.3
251.20068	3.6
307.22656	6.7
309.24136	4.3
311.25751	31.1
325.23755	29.0
327.25409	8.9
329.26852	72.2
367.25061	5.7
385.25790	7.0
561.45142	17.9
579.46326	39.9
639.47931	13.1
675.44244	4.8
702.06665	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	675.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59234	6.0
53.56416	4.6
56.61507	4.9
74.90585	5.5
90.87572	5.6
120.78234	6.3
127.19563	6.1
147.26070	6.3
162.80356	6.0
191.81421	6.3
217.04684	100.0
248.84929	6.4
258.07535	9.6
287.12552	41.7
328.15128	11.0
411.10742	9.8
413.12473	7.4
426.40439	7.4
675.24261	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	675.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81153	1.7
73.68761	2.0
86.67551	2.1
91.71284	5.2
97.31670	1.9
136.73790	2.4
142.39996	2.2
146.33624	2.2
192.43214	2.1
300.86029	2.3
311.04797	2.2
376.38791	2.5
513.30261	23.7
545.30078	2.5
675.35596	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56831	19.8
61.02909	19.7
61.54804	19.4
67.05479	39.7
69.07043	25.4
79.05468	43.3
81.07043	46.2
85.02886	28.0
91.03948	27.6
91.05476	48.7
93.07041	94.3
95.08616	59.3
97.02869	28.6
105.07011	50.4
107.08599	66.2
109.10143	28.9
117.07024	31.1
119.08601	44.4
131.08591	29.0
133.10159	51.0
135.11703	40.8
147.07892	21.3
147.11618	32.0
192.19498	26.0
234.73019	25.7
259.20572	62.5
351.25238	100.0
481.88120	26.9
502.35605	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	675.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85654	23.5
53.35969	21.2
76.63218	24.0
108.86806	22.8
146.31190	23.9
165.63185	28.5
182.70432	31.0
194.12010	24.6
312.57230	28.0
381.25259	28.0
492.18909	74.9
549.71246	31.3
675.40619	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	36.4
57.07064	9.0
67.05484	15.8
69.07043	31.3
71.08632	7.3
81.07039	32.3
83.08620	8.7
87.43278	7.8
93.07059	7.0
95.08591	19.6
117.30094	7.2
125.28947	8.3
145.06473	9.4
153.00856	6.7
158.06813	8.6
162.19800	7.4
164.30988	7.4
237.09106	7.7
308.09232	7.7
492.19028	34.2
493.19424	18.4
656.47797	43.1
657.47736	100.0
675.39490	60.4
675.50269	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	675.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
67.68372	5.7
68.80627	5.6
78.42313	5.8
87.26727	6.5
91.71122	11.2
113.63082	6.6
169.87090	7.0
223.80455	7.3
229.25732	7.1
326.94702	8.3
392.51364	8.4
411.09732	8.6
442.27026	9.8
615.42670	14.6
675.44354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28693	3.4
56.10820	3.5
62.99096	3.7
64.02687	3.7
67.05470	3.9
69.07043	3.4
74.88788	3.5
81.07037	6.7
81.90176	3.4
92.24177	4.0
99.56972	3.7
122.21448	4.5
137.14896	4.2
182.41811	5.4
228.31570	4.7
321.70660	4.5
468.08597	5.4
560.95374	5.5
615.42090	10.9
675.44336	100.0
676.44928	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	675.444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28926	4.3
58.65418	5.2
552.32489	5.8
615.42102	19.7
675.44415	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78108	1.6
55.01861	3.5
55.05509	32.6
57.03423	9.9
57.07074	9.0
58.62936	1.8
63.54663	1.8
67.05499	58.2
69.07061	62.0
70.49496	2.0
71.04974	5.1
79.05479	14.3
81.07050	68.4
83.04976	3.8
83.08616	41.5
85.06533	3.8
85.24118	2.2
91.05473	15.0
93.07030	25.9
95.04959	2.3
95.08603	71.9
97.06524	8.3
97.10168	29.6
99.08092	3.6
102.85001	2.3
105.07024	14.3
107.08591	19.3
109.10158	27.7
111.08112	5.6
111.11739	7.1
117.05545	3.4
119.08604	11.9
121.10122	16.4
123.11724	9.4
125.09608	2.6
133.10164	10.3
135.11687	20.8
137.13268	2.8
139.11185	3.0
147.11674	8.0
149.13292	4.2
151.11235	2.9
151.14795	2.7
153.12744	2.5
160.20819	2.4
161.13257	5.4
166.48213	2.2
171.17331	2.5
175.14832	4.0
217.19585	11.3
235.20518	11.9
253.21750	4.3
309.24231	24.5
310.97910	2.5
327.25281	100.0
329.88257	2.6
345.26440	7.9
369.26376	3.7
387.27539	7.2
469.40396	2.6
534.63690	2.4
549.28436	2.6
561.45026	8.1
579.46118	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	675.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.7
55.05505	45.5
57.03411	6.8
57.07066	9.7
63.06438	4.2
63.72945	4.6
67.05493	65.7
69.07063	61.1
79.05486	19.9
79.59755	6.2
81.07048	100.0
83.04965	6.1
83.08608	42.3
91.05471	18.6
91.71657	6.5
93.07021	35.7
95.04935	5.7
95.08603	82.3
97.10167	26.9
105.07033	22.2
107.08554	25.2
109.10152	32.2
111.08080	6.1
111.11726	6.5
119.08593	10.6
121.10137	25.2
123.11751	16.1
133.10161	16.3
135.11632	26.2
147.11662	11.9
151.11218	6.6
159.96172	5.9
161.13196	7.6
217.14456	5.8
217.19565	11.5
235.20541	18.4
253.21608	9.4
309.24139	9.6
327.25275	20.8
335.25409	6.7
352.04141	5.5
469.40244	11.6
487.41293	12.4
505.42297	10.2
561.44983	16.2
579.46265	59.0
703.58954	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	675.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17633	3.5
55.05503	49.0
56.96409	3.4
57.03423	10.3
57.07062	12.3
59.34355	3.5
65.03938	3.5
67.05168	7.0
67.05495	72.2
68.80188	4.4
69.07060	65.3
69.98616	3.6
71.04995	6.5
79.05480	20.4
79.54379	4.0
80.72163	4.1
81.06593	8.6
81.07045	100.0
83.08610	29.8
85.06544	5.5
91.05453	22.7
93.07035	37.5
95.04986	6.7
95.08598	92.8
95.09162	8.2
97.06497	10.9
97.10160	25.2
105.07023	19.2
107.08597	21.4
109.10153	38.5
117.05470	5.1
118.41623	4.0
119.08585	17.3
121.10143	34.4
123.11719	13.6
125.09614	6.3
133.10121	18.0
135.11691	33.6
137.13239	5.6
147.11679	15.1
149.13225	7.0
151.14833	4.9
153.50563	4.1
160.54326	4.7
161.13205	10.9
175.49081	4.9
191.26425	4.6
195.64787	4.6
203.58087	4.7
217.19574	15.7
235.20596	18.6
253.21606	13.3
281.42102	4.9
309.24258	8.9
327.25348	17.7
414.64581	5.8
459.93341	4.9
469.40836	8.1
487.40936	17.7
561.45398	7.2
579.46295	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	676.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22466	3.8
58.46291	4.0
60.53948	4.2
61.30770	4.3
90.22813	4.4
91.71052	5.6
92.41173	5.2
100.26904	4.9
126.41503	5.3
168.46840	4.8
172.11305	6.6
173.11990	9.1
190.90533	5.1
210.09720	5.4
222.09531	6.3
241.95973	5.1
293.42673	5.8
306.38031	5.5
314.21188	6.0
328.22708	11.0
428.31451	8.8
458.32538	21.1
514.35461	12.3
676.40424	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	5.3
58.06582	2.6
60.05641	13.7
70.06580	32.7
74.06042	2.8
84.04455	1.6
85.02886	1.7
86.03539	12.6
107.99406	1.8
117.03730	1.7
118.90878	1.7
129.10237	34.6
129.11163	2.7
130.05002	4.5
132.08127	9.4
133.61980	1.6
137.80914	1.9
144.08038	4.3
150.05507	5.4
155.08165	8.2
176.07068	13.2
192.67104	1.8
217.09720	4.5
232.10909	2.3
233.04568	2.2
248.13910	100.0
249.12169	9.5
266.14957	58.0
292.12918	3.0
340.06348	2.6
351.17645	26.3
414.54944	2.1
504.20306	2.0
609.04675	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	677.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40600	0.9
64.52603	1.2
75.63059	1.0
77.19601	0.9
79.70705	1.0
82.59062	1.2
89.75146	1.1
97.50712	1.1
103.53716	1.0
120.18027	1.1
130.68649	1.1
174.70969	1.0
254.05315	1.1
259.07938	2.0
297.90967	1.4
339.82593	1.2
347.09518	2.4
365.10568	4.3
401.53879	1.4
420.99042	1.5
421.13989	1.4
515.31885	22.1
515.38940	2.0
677.37140	100.0
678.36975	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	677.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
73.87192	1.2
85.19996	1.1
91.68167	1.3
126.33116	1.4
128.65367	1.2
134.81886	1.3
137.76962	1.2
137.89684	1.2
141.27869	1.2
149.70609	1.2
229.67340	1.3
339.90552	2.0
515.31958	20.0
628.64294	1.5
677.37128	100.0
678.37445	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	677.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	8.9
57.03434	8.9
57.07059	4.0
61.02913	17.8
65.03938	3.2
67.05498	95.8
68.19621	3.6
69.03410	3.8
69.07055	15.7
73.02905	7.8
76.46789	3.7
79.05486	38.3
79.12280	3.1
81.06598	7.0
81.07052	100.0
83.04990	4.3
83.08620	6.8
85.02905	22.1
85.06573	3.7
91.03934	14.7
91.05482	23.8
93.07041	62.4
95.04948	5.9
95.08603	84.2
97.02888	10.7
97.06536	4.3
97.10143	5.8
101.00127	3.4
105.07024	16.3
107.08597	40.7
109.10149	38.9
117.07030	12.0
119.08581	12.9
121.10148	28.2
123.11719	19.1
127.03945	5.4
131.08559	18.4
133.10132	10.3
135.11705	33.3
137.13287	7.5
145.04955	10.7
145.10141	14.4
145.14632	3.8
147.11711	13.0
149.13245	21.8
153.12730	5.6
154.01160	3.7
159.11729	17.5
161.13347	9.2
163.06032	5.2
163.14824	15.7
173.13324	18.2
187.14816	7.6
243.21063	28.2
261.22119	83.0
279.23291	4.5
335.25870	25.7
353.26801	23.2
435.99323	4.5
497.31006	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	677.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	3.3
55.05493	12.3
57.03421	6.7
57.07056	4.7
61.02921	22.9
65.82810	2.7
66.03780	2.7
67.05497	92.8
69.03408	3.3
69.07053	16.4
73.02919	6.9
73.07070	3.1
79.05494	33.9
81.07048	100.0
83.08619	8.8
85.02898	33.7
91.03949	25.9
91.05475	28.2
93.07031	81.4
95.04960	6.4
95.08594	69.5
97.02878	20.3
97.06551	5.8
99.08098	5.3
101.14603	3.4
105.07024	22.5
107.08582	41.0
107.72961	3.2
109.06474	3.4
109.10146	37.6
117.07009	9.4
119.08584	21.7
121.10157	39.6
123.11707	14.5
127.03912	8.5
131.08557	25.5
133.10124	16.2
135.11694	33.8
137.13203	4.1
145.04968	14.2
145.10133	15.0
147.11658	9.1
149.13258	26.7
149.33289	3.4
159.11682	14.6
161.13243	13.8
163.06003	13.4
163.14830	11.7
173.13225	15.4
177.16353	4.9
179.14272	4.0
187.14746	10.0
243.21027	28.5
251.10957	4.4
261.22128	81.9
263.13019	4.4
335.25897	15.4
353.26828	25.9
427.47690	3.9
535.62415	4.5
658.09229	4.4
699.92487	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	677.39
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	29.2
61.93728	15.3
65.35025	16.8
66.23898	17.3
67.05485	89.7
69.07067	19.7
70.49151	15.6
79.05474	36.1
81.07052	97.9
91.05487	64.3
93.07043	100.0
95.01333	17.2
95.04916	25.8
95.08604	53.7
105.07037	69.8
107.08601	63.1
117.07009	37.8
119.08617	38.8
121.10165	34.6
122.15720	21.0
128.92218	21.8
129.07002	21.4
131.08574	75.4
133.10164	37.8
143.08557	27.2
145.06633	17.4
145.10158	32.6
147.11700	29.0
152.29546	24.7
159.11691	29.2
173.13304	29.5
189.33755	20.0
501.35721	63.2
659.37012	29.1
677.38800	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	677.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	37.6
55.68592	11.5
59.22190	12.9
64.27089	14.1
67.05494	94.4
67.05779	14.7
69.07060	46.4
79.05473	49.1
80.34215	15.2
80.77526	14.1
81.03410	22.7
81.07042	100.0
83.08601	25.0
91.05470	67.2
93.07030	90.4
95.01381	19.6
95.08612	69.8
97.10141	16.2
104.20179	14.6
105.07029	73.0
107.08601	47.2
109.10155	45.5
117.07024	25.2
119.08580	47.6
121.10143	32.1
129.07025	24.5
131.08609	41.2
133.10147	21.7
135.08084	16.0
135.11681	40.9
145.10123	28.3
147.11708	29.0
157.10170	20.9
159.11780	35.0
171.11676	21.0
173.13295	17.3
187.14766	17.7
203.04965	15.4
298.83215	18.6
501.35635	70.5
672.03046	22.3
677.38013	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	677.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00121	3.7
54.63091	3.2
63.72229	2.9
67.05480	5.3
76.66275	3.8
81.07047	10.2
87.49507	3.8
91.70905	7.1
95.08541	6.9
98.33405	4.7
98.87503	3.4
121.16452	4.3
136.36786	3.9
168.15355	3.9
351.21497	9.5
388.66913	5.0
406.91403	5.2
410.88022	4.9
677.45947	100.0
678.46497	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	677.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19106	29.8
76.26965	39.2
90.48720	37.4
91.55200	39.8
121.47881	41.0
124.21098	42.1
124.89465	39.5
127.87882	42.8
138.33308	42.7
177.01752	42.2
178.35086	43.1
190.10193	44.3
220.08508	43.5
334.72534	47.3
344.16641	57.6
352.36850	50.1
383.51038	48.8
385.36417	51.2
650.65704	50.7
675.46539	56.0
677.48871	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50771	1.9
85.02896	3.2
91.71097	2.2
91.94017	2.5
92.38903	2.1
94.39812	1.9
95.06898	2.0
128.51291	2.1
163.59077	2.2
185.04248	5.1
189.01595	19.3
230.04170	3.9
261.23547	2.7
268.07571	2.4
294.65738	2.4
351.06827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02787	1.8
60.03996	2.4
69.03441	2.7
70.06589	3.6
81.03413	4.5
84.04501	23.1
96.04481	15.9
97.02891	3.1
98.06041	7.5
102.05539	5.4
116.07105	3.1
116.25116	2.5
122.15807	2.5
126.05517	25.8
138.05493	100.0
144.06557	22.8
148.06053	15.0
168.06555	18.6
186.07611	20.9
204.08684	24.2
229.51132	2.5
238.05713	2.7
262.04593	2.8
291.11841	5.9
301.13992	8.2
329.13397	23.3
345.81702	2.7
474.28607	2.7
476.18533	7.2
688.16315	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	679.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87858	6.5
53.57532	5.0
55.92921	5.3
65.70673	6.5
69.29715	5.8
73.89758	6.0
73.91587	5.9
75.07217	5.9
75.77154	6.2
83.57053	5.5
89.47507	7.0
94.04210	6.8
102.27755	6.1
107.55810	7.7
129.07031	8.4
137.05971	100.0
144.05675	8.0
151.07568	11.2
159.07983	9.0
187.07582	12.8
189.09145	19.0
201.09306	8.4
219.08264	6.5
219.10202	27.1
233.28064	6.9
252.37903	6.9
278.46307	7.1
323.34222	8.0
387.15527	9.6
435.18164	48.7
495.19913	21.0
541.22260	13.4
559.23010	29.5
609.35339	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	679.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90243	4.8
60.75541	6.6
67.05486	16.7
109.10214	6.3
135.10310	6.3
170.89423	6.4
253.52600	8.2
264.20721	7.9
306.79239	8.7
385.90848	7.4
403.22995	8.2
679.34235	100.0
679.44470	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	679.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62214	9.5
55.05490	31.0
56.17557	10.0
57.07063	20.2
57.10849	10.3
61.02908	11.9
64.90816	10.6
67.05496	79.7
69.07043	29.5
69.31853	13.8
69.85264	12.5
81.07054	100.0
83.08598	23.5
85.02898	15.9
85.46908	13.8
91.05473	14.7
93.07049	22.4
95.08597	59.7
97.02847	18.0
97.10168	15.1
107.08566	23.3
109.10189	25.0
121.10162	34.1
121.55224	13.7
123.11678	14.4
145.06943	12.9
146.76866	14.4
177.78380	12.0
185.25098	14.9
216.77557	13.0
245.22574	41.1
263.23798	53.3
276.86981	16.3
337.27328	49.5
339.71225	15.2
400.68158	18.3
463.44409	15.4
671.54840	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	679.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37013	8.1
55.61789	6.8
57.74815	7.9
73.86698	8.0
82.82150	10.3
86.12984	10.0
134.82489	9.5
179.23399	9.3
284.22076	11.3
346.10736	10.8
388.23480	11.0
456.77484	12.1
568.71094	12.7
679.45154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46628	1.9
58.32529	1.7
72.79291	2.4
93.74174	2.3
99.74709	2.0
112.52998	2.0
146.66718	2.3
148.37546	2.4
157.40257	2.2
158.93565	2.1
200.56723	2.3
255.69763	2.4
258.90762	2.4
443.73523	2.9
679.45892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92106	4.1
55.05501	6.1
58.29952	4.0
61.50806	5.0
67.05506	8.5
69.07046	4.9
70.81223	5.1
81.07037	6.7
88.93154	5.0
93.07041	6.5
99.80689	5.8
100.11250	11.0
107.08692	5.7
121.43584	5.2
137.31345	5.7
163.25012	5.6
177.02083	6.1
203.20117	5.4
235.20441	5.8
259.20425	6.3
291.19443	7.9
317.46909	6.5
351.21286	12.9
486.07748	7.6
679.47687	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06540	7.3
67.40388	8.2
74.20223	7.0
84.37035	8.0
90.96851	7.2
100.66827	8.9
138.42821	8.3
142.61691	9.3
210.85562	10.6
232.77011	10.0
238.37877	9.4
256.99789	9.6
476.75357	12.0
568.70056	11.9
679.46997	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	2.5
58.30697	2.6
80.85995	2.6
81.07051	6.0
82.35432	2.6
91.70941	2.7
176.38640	3.0
291.19232	5.2
351.21509	6.7
385.55627	3.4
450.71747	4.4
611.83746	3.6
619.45844	5.3
679.47516	100.0
680.46906	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	679.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15717	0.5
52.27831	1.5
53.03930	1.0
55.05502	15.2
57.07056	1.2
63.13993	0.5
67.05483	1.1
69.07053	1.2
70.06564	1.8
72.22900	0.5
79.75670	0.5
81.07050	0.8
82.06561	5.3
83.04966	2.2
83.08606	20.6
83.81815	0.5
84.08115	2.1
84.81271	0.6
85.06516	1.0
94.06546	0.7
97.06513	0.7
98.09689	2.5
100.07603	7.7
100.11243	100.0
110.06034	2.9
111.04436	9.9
112.07569	3.8
115.69167	0.5
117.13911	2.0
119.08621	0.5
126.09113	2.8
127.08652	3.1
128.07060	10.0
139.08649	4.7
140.07074	3.4
147.11682	1.0
164.14389	0.8
165.70465	0.5
166.15894	1.1
182.15384	34.4
192.13905	1.3
209.16461	30.0
210.14870	38.8
226.19089	6.2
226.20923	0.6
227.17523	3.1
228.15894	3.3
263.70486	1.2
306.40692	0.6
309.25317	0.9
326.28046	5.2
335.24463	0.7
336.22784	3.2
343.30780	1.8
408.22412	0.6
435.33472	1.5
452.35840	1.9
487.38519	0.6
615.25262	0.7
661.49994	7.8
679.51086	64.7
680.51306	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	679.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86265	2.0
62.96066	2.3
67.86987	2.4
71.08577	2.5
72.08133	20.4
83.08591	2.2
86.09692	100.0
102.04266	2.5
110.09681	3.8
127.17141	2.4
146.07611	2.4
155.11865	3.1
231.17062	15.7
276.59009	2.5
308.29318	3.3
322.80872	2.8
421.38202	4.6
449.37299	6.8
469.67700	3.9
679.43524	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	680.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56700	6.8
56.62152	6.0
56.73240	6.6
56.79776	7.0
70.06571	31.5
75.98473	7.4
91.05489	8.5
95.04964	22.1
104.42112	8.3
123.04430	45.1
123.20770	7.3
139.03880	89.6
144.44022	10.1
151.03909	53.8
151.07542	15.3
161.05940	13.5
163.03857	10.6
177.05505	11.2
179.03348	58.4
179.06990	83.2
191.07092	24.4
196.09724	13.9
203.03377	9.8
213.47363	9.0
255.06538	12.5
268.90714	10.3
271.30582	10.8
279.06543	10.6
281.08194	9.3
297.07706	15.0
299.05835	10.5
308.09195	10.9
309.07404	48.4
312.43045	9.6
326.10208	36.7
332.11115	12.4
339.04776	9.4
339.08777	22.9
374.12268	47.7
446.50671	9.8
494.14581	23.9
637.69666	12.6
667.93774	10.9
680.19891	100.0
700.90454	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	680.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01865	2.9
57.03412	2.1
61.02903	1.6
65.41875	0.4
68.99760	0.7
69.03419	10.5
70.06557	0.4
71.04965	1.5
73.02895	2.1
79.05466	0.8
81.03411	9.1
85.02897	26.6
87.00818	5.5
87.65279	0.4
91.03943	0.5
91.05445	0.6
95.04957	0.7
97.02885	10.3
99.04448	4.4
103.03940	1.0
103.82282	0.4
105.01854	9.1
105.07025	17.9
107.04950	3.2
109.02870	9.2
115.05482	0.8
117.01879	0.8
117.63091	0.5
121.02857	1.1
121.10098	0.5
127.03907	13.1
129.01814	0.8
129.06944	1.0
131.04938	0.7
133.06485	100.0
134.06834	1.1
140.26706	0.5
145.04950	5.8
145.10136	0.6
157.06514	2.7
159.02843	4.4
163.11209	0.7
171.07991	0.8
175.07507	0.9
189.03870	1.0
195.08022	0.6
199.07581	1.3
223.07536	0.6
231.04971	1.9
321.20554	1.0
339.21588	1.1
381.11737	0.9
486.14288	0.6
514.89331	0.5
691.45508	0.6
693.72424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71220	1.6
53.03930	7.6
57.03162	1.9
57.03426	25.6
57.89980	1.7
61.02915	5.1
69.03398	5.3
69.07027	2.2
74.00665	2.1
80.66299	2.1
81.03408	18.8
81.07041	2.8
85.02886	4.0
91.73470	2.2
97.02869	8.4
99.04473	4.4
103.05640	2.0
109.02863	22.0
117.05480	100.0
127.03902	18.8
131.27594	2.3
147.04454	3.2
159.06523	6.0
168.18114	2.2
187.06026	8.4
247.08054	5.6
261.91495	2.5
281.64572	2.8
514.19189	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	680.48
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67345	5.4
55.85273	6.2
57.06841	7.7
57.07071	100.0
77.59134	6.3
91.71588	12.6
92.96597	7.1
107.83778	6.9
171.39049	7.9
242.44717	8.6
282.16388	9.6
327.07782	98.9
383.14005	35.1
408.19690	10.2
410.90106	8.7
439.20319	89.8
470.85352	8.6
495.26651	81.3
551.32794	36.3
607.39038	79.5
611.01068	8.5
633.81647	9.2
663.45184	54.7
684.27429	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	683.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81460	2.4
53.67146	2.7
74.05486	3.2
74.93401	2.8
75.74437	2.8
78.31398	3.4
84.68102	3.6
86.11910	3.0
89.91571	2.8
118.06526	16.7
142.06493	3.5
144.08098	13.7
146.05995	60.3
148.02974	3.7
159.09129	6.3
187.21848	3.1
188.07054	100.0
192.91943	3.6
205.09723	37.6
210.01064	3.4
231.02881	3.5
243.28807	4.3
300.04568	3.4
396.67963	3.5
459.12964	3.5
654.82318	3.6
661.30396	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	684.454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76626	2.7
56.05019	13.2
57.07067	10.3
58.06586	5.4
58.37911	2.8
60.04514	26.3
62.14627	3.4
69.07042	5.7
71.08607	5.3
72.63895	3.5
74.05721	3.7
74.06065	25.5
74.25330	2.6
77.08327	3.7
81.06996	4.8
84.04509	4.6
85.10184	5.4
86.09697	100.0
95.08585	7.3
125.07100	6.8
131.87315	3.5
132.10234	6.5
153.06636	4.4
169.23994	3.7
173.12839	10.2
201.12260	6.2
226.07487	3.8
238.21721	15.1
245.18636	10.9
266.20938	21.9
270.14453	9.2
325.24719	5.9
335.23105	8.7
353.24240	6.3
404.25269	5.0
419.24860	7.4
422.26389	11.7
440.27609	7.1
465.98169	3.8
553.35242	5.8
691.10486	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	685.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24753	1.7
50.80725	1.3
89.60689	1.6
91.44524	1.6
117.07057	2.6
118.06542	19.9
132.08150	6.4
139.03926	14.7
142.06528	2.4
143.07231	2.2
144.08104	16.2
146.06004	72.4
159.09253	6.9
163.03902	2.0
170.06088	5.2
177.01801	3.2
179.03386	2.4
188.07060	100.0
189.07468	2.5
205.09721	41.1
205.11443	2.8
219.02922	2.2
287.05560	3.3
288.06409	3.4
481.09833	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82322	4.2
57.03428	7.6
59.60645	4.0
69.14788	4.6
103.29058	5.0
116.07132	7.0
117.05444	10.2
173.45302	5.7
185.25397	5.5
207.48994	6.6
250.32578	7.2
294.42868	7.3
466.81934	7.2
523.24982	23.9
685.19794	5.5
685.30261	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	685.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
68.49195	6.0
80.08189	6.2
82.95242	5.9
141.35846	6.0
149.86224	6.5
177.82446	7.1
234.49490	7.5
234.56032	7.2
261.16351	7.6
290.59894	8.4
449.64926	7.1
480.61874	7.4
622.31927	9.5
685.32391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63535	3.8
53.31655	4.3
57.03429	4.8
61.36927	3.5
75.48092	3.4
81.07038	6.8
97.89124	4.7
160.42941	4.7
287.07443	16.8
341.34583	4.9
362.97720	5.3
457.35913	5.3
523.62421	5.6
569.33008	33.6
680.37561	5.6
685.37494	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
86.71947	21.5
94.51319	20.8
129.89349	20.7
165.84415	27.5
173.39890	21.0
196.96599	26.6
332.90244	27.7
365.73224	29.1
680.45612	26.9
685.43317	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42649	9.9
62.07188	12.4
65.19226	10.2
75.13828	11.4
82.38897	12.7
121.47737	11.4
134.45595	12.8
136.06960	14.5
257.94971	16.1
374.93719	18.3
436.37070	17.7
567.65094	17.9
581.85278	14.7
685.43140	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44238	7.5
51.53814	8.3
55.05487	47.4
57.03412	14.6
57.07054	41.0
67.05493	66.3
69.07058	87.6
71.08617	19.3
79.05473	30.2
81.07042	100.0
82.33530	10.6
83.08602	71.1
85.48185	9.8
91.05478	19.5
93.07015	53.6
95.08616	64.5
97.06507	25.8
97.10129	22.8
107.08578	38.8
109.10146	36.9
111.08035	13.8
121.10149	36.3
123.11709	18.2
135.11674	31.3
139.11168	13.9
149.13255	16.8
151.11244	10.6
160.35942	11.8
178.51381	11.1
205.19685	13.9
223.20554	14.8
264.68500	9.6
287.22037	73.0
325.23642	89.9
329.23111	12.1
343.24744	60.0
348.60895	11.8
399.27274	16.1
424.29614	12.7
625.06110	13.4
685.48309	16.3
708.34241	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	686.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59053	1.6
53.20088	1.6
56.66092	1.6
56.92592	1.5
59.82043	1.6
67.05479	2.1
69.31669	1.6
81.07072	4.3
91.05456	4.6
93.87726	1.9
95.08611	2.4
102.62758	1.9
105.07038	8.3
119.08553	3.0
121.10098	2.1
122.03639	2.4
127.96988	1.7
128.06230	2.5
133.06516	5.2
137.05974	100.0
142.59102	1.9
157.06493	2.6
159.08047	2.8
159.46996	2.0
161.06001	10.2
175.07506	24.0
180.03596	2.1
187.07605	7.3
191.08571	5.7
191.28809	2.0
199.07533	3.7
203.08568	3.2
219.08043	9.6
231.08092	3.9
247.07524	3.8
251.10680	15.2
279.10175	12.4
291.10287	3.0
311.12726	33.8
323.12775	7.6
341.13852	4.8
455.10703	2.2
545.09595	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	686.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	9.8
57.03423	11.1
57.07048	1.4
59.04988	3.3
61.02895	3.8
63.28332	1.4
65.03923	1.7
67.05494	100.0
69.03414	1.3
69.07065	8.3
71.04977	3.1
79.05485	12.1
81.03365	1.3
81.06595	2.8
81.07047	32.7
83.08617	8.8
85.02886	3.2
85.06532	3.1
87.46557	1.2
91.05467	11.7
93.07033	21.5
95.04961	2.9
95.08600	23.4
97.02876	1.4
97.06528	3.0
97.10152	1.9
105.07031	6.8
107.08572	10.4
109.10149	66.8
111.08053	2.5
111.79118	1.4
117.07004	2.4
119.08560	7.4
121.10109	6.8
121.29092	1.1
123.11671	3.5
130.77643	1.6
130.86485	1.2
131.08575	4.9
133.10112	2.4
135.11670	6.6
137.09622	3.2
138.70708	1.3
145.10162	2.4
147.11665	1.8
149.13306	2.6
155.10681	5.1
156.72752	1.3
159.11684	2.8
161.13309	1.5
163.14754	1.5
173.11751	13.9
173.13213	2.7
226.98917	1.6
227.12865	3.0
229.14330	61.5
243.21103	3.3
261.22025	8.8
316.99792	1.6
317.24579	1.8
335.25760	38.8
489.35690	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	686.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48749	1.7
55.05498	8.5
55.42151	1.6
57.03427	14.1
57.07071	1.6
59.04992	4.4
61.02908	4.5
67.05495	100.0
69.03417	2.0
69.07049	7.2
71.04977	4.7
72.94604	1.7
73.93436	1.8
79.05480	14.7
81.07041	42.1
83.08608	8.5
85.02868	2.7
85.06542	4.4
88.67201	1.8
91.05463	14.9
93.07030	20.5
95.08601	26.9
105.07027	6.7
107.08582	12.1
109.10146	72.9
111.08109	3.4
119.08558	11.8
121.10141	7.7
123.11720	3.9
129.29137	2.1
131.08586	3.8
133.10143	4.7
135.11691	8.0
137.09622	2.3
145.10091	3.1
149.13251	3.0
155.10681	5.1
161.13248	3.7
163.14752	2.8
173.11754	16.8
173.13182	3.4
210.60750	2.1
227.12888	3.6
229.14342	73.5
243.21146	3.5
261.22162	13.0
281.09219	2.2
317.24573	2.5
335.25739	38.7
489.35593	21.4
707.81122	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	22.1
57.03419	13.6
65.03927	2.9
67.05494	88.8
69.07054	23.5
71.05003	4.2
79.05476	21.5
81.07044	100.0
83.08611	20.5
86.30195	2.7
87.28263	3.0
91.05470	23.7
91.71078	4.8
93.07030	39.1
95.04965	3.3
95.08599	83.3
97.06540	6.1
97.10166	11.0
105.07037	14.6
107.08569	29.5
109.10147	33.2
110.37636	3.2
110.61300	3.4
111.08080	5.5
119.08578	9.7
121.10136	26.8
123.11722	11.9
133.10138	19.5
135.11736	11.7
145.10106	3.9
147.11635	10.5
159.11662	4.3
175.55240	3.4
176.09810	3.4
189.16374	5.6
199.54742	3.6
243.56662	4.3
249.45468	3.9
251.19850	4.9
281.21078	47.1
307.22433	6.6
323.22040	7.0
325.23703	27.6
341.23322	10.8
348.57056	3.8
367.24896	9.2
385.25906	7.4
513.39490	5.6
531.40509	39.7
591.42438	12.7
601.10236	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	686.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	15.7
55.17548	7.8
55.70108	10.6
57.07046	8.6
62.97633	8.3
65.00169	9.4
67.05488	33.3
69.07037	18.4
70.05568	8.5
71.08643	12.7
71.11939	8.8
78.95490	9.5
79.05488	15.9
81.07068	25.7
82.06545	16.8
91.05457	17.4
93.07049	17.5
94.06554	29.0
95.07306	11.7
95.08592	25.3
109.10136	18.2
114.07351	10.8
121.10142	14.7
162.97896	10.2
213.91280	10.2
262.25256	100.0
294.28326	11.9
302.88501	13.9
313.27332	30.3
488.44592	20.9
506.45425	15.6
514.40009	13.8
640.92603	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	28.9
56.67206	13.0
67.01183	16.0
67.05511	73.8
67.12193	13.6
69.07069	20.9
79.05475	32.6
81.07047	98.7
91.05472	68.6
93.07021	79.8
95.08602	100.0
105.07008	80.0
107.08583	46.8
109.10167	45.4
117.07005	22.3
119.08562	44.2
121.10160	42.6
124.03273	16.0
131.08527	42.8
133.10156	32.1
135.11728	27.6
136.70636	15.1
137.33806	13.9
145.10150	23.6
146.70471	16.6
147.11664	36.9
159.11633	24.8
161.13293	32.6
173.13322	20.5
197.05923	16.1
255.48471	16.5
272.85947	15.0
314.07907	19.8
617.65265	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	686.541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	4.2
57.06804	2.5
57.07069	43.3
69.07051	6.8
71.08623	38.3
71.09016	1.9
73.06544	8.2
76.73160	1.3
78.44527	1.5
78.84772	1.2
81.07071	1.3
83.08606	5.6
85.10177	23.6
86.96644	1.3
87.04470	7.4
89.06024	100.0
91.07578	1.9
97.10180	5.7
99.11725	3.7
99.91752	1.5
107.07071	1.5
110.18935	1.6
111.11720	3.5
113.13267	1.8
114.09172	2.1
117.09130	7.9
130.08638	26.2
131.07043	2.2
133.08598	53.2
137.02147	1.9
141.16402	2.2
172.75317	1.6
175.09650	1.6
177.11205	21.6
221.13818	4.0
255.26736	2.7
299.29422	5.0
327.19855	2.1
343.32016	3.8
669.51349	4.3
686.53809	2.0
698.29443	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	686.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09025	4.6
57.07067	32.0
65.43273	4.5
71.08616	27.4
75.02843	4.8
79.28732	4.9
83.95969	5.1
85.10158	20.6
89.06019	100.0
114.81206	5.8
117.09104	8.7
130.08635	25.0
133.08592	66.1
169.44943	5.9
177.11203	24.1
218.31807	6.1
718.99219	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	686.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02596	10.1
55.01854	9.9
57.07061	42.1
67.05473	30.2
71.08606	34.3
79.05472	23.2
81.07038	32.0
85.10191	11.8
91.05470	18.9
93.07021	13.5
95.08608	17.6
104.07141	14.7
107.08610	14.9
109.10141	14.7
116.85497	9.8
121.10139	10.8
135.11673	12.3
135.75642	10.9
145.10057	16.5
163.11157	14.9
173.45062	10.5
175.99667	11.3
255.16064	18.3
279.46979	13.0
298.13187	10.4
313.27356	100.0
370.38632	12.5
493.38675	22.1
547.79791	13.9
641.08350	12.2
693.53381	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	687.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
68.82060	4.7
73.73537	4.3
76.57891	4.1
81.66585	4.7
85.33304	4.4
87.94815	4.8
89.64223	4.4
171.32990	5.5
225.65845	5.6
391.90778	5.5
493.15182	7.9
525.26251	15.5
542.89166	5.7
687.31720	100.0
691.60468	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	687.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16905	1.7
55.05493	2.2
67.05498	8.9
69.07063	3.7
79.05487	1.7
81.07047	11.5
86.35138	1.5
93.07032	4.7
95.08602	9.6
97.06493	1.4
107.08582	1.8
109.10145	4.2
121.10153	3.9
123.11713	1.8
147.11697	2.2
161.13170	2.3
205.06406	3.2
220.05171	1.8
221.05959	22.1
223.07562	6.1
235.07631	4.5
238.67525	1.8
249.05441	16.2
250.06253	2.5
251.06958	12.1
261.22211	2.9
263.07068	2.8
266.05740	6.7
277.04883	13.8
279.23169	9.9
281.08066	3.6
283.09573	1.8
297.24176	4.1
299.09140	4.0
309.07529	100.0
327.08707	4.8
348.10193	1.7
445.11609	2.1
493.00131	2.5
651.31073	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	688.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
62.52493	2.3
65.31043	2.4
67.05493	6.1
79.78652	2.1
81.07036	8.6
91.05486	4.4
95.08589	3.1
104.80151	2.6
105.07032	3.9
107.08578	3.5
129.06990	4.2
131.04962	2.9
131.08566	9.3
137.05972	16.7
141.06992	6.1
151.07536	5.9
157.06468	4.4
158.07231	4.2
159.08086	5.5
163.07542	3.1
166.20575	2.7
166.65369	2.8
174.06764	13.5
186.06721	3.5
186.71925	3.3
189.09068	26.8
201.09094	12.6
219.10147	100.0
323.12881	4.3
325.14407	9.1
384.73294	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	688.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81994	2.7
55.05511	18.4
57.03415	6.7
57.07056	3.5
65.03911	5.5
67.05495	82.2
69.07050	14.7
71.04960	4.7
79.05481	30.0
81.07046	97.8
83.08598	14.6
84.61795	3.7
86.09664	3.8
89.06030	4.6
91.05460	36.6
93.07027	41.2
95.04952	5.4
95.08031	7.4
95.08597	77.4
97.06493	6.9
97.10149	8.7
103.05547	3.8
104.40578	3.8
105.07017	15.1
107.08580	30.6
109.06483	3.9
109.10117	24.3
111.08094	5.8
117.07022	5.1
119.08596	15.8
121.10130	39.2
123.08053	7.8
123.11707	11.7
129.07053	5.4
131.08575	12.7
133.08606	5.0
133.10115	24.6
135.11673	18.9
137.05974	100.0
137.09599	5.0
145.10124	5.3
147.11736	7.1
151.07526	28.2
151.11147	5.8
157.06511	5.8
163.07487	8.0
165.09224	4.3
165.12721	3.6
189.09204	10.9
191.10657	8.9
213.16310	6.5
215.17812	5.4
231.17522	10.2
249.18530	15.2
251.20065	8.8
253.12267	5.4
277.18091	4.0
281.11862	5.8
285.11258	5.7
313.14343	7.5
325.23709	28.3
439.28543	5.7
445.89206	4.1
557.42163	6.8
563.33508	21.8
575.43079	25.8
581.34576	13.2
635.45313	8.4
674.52148	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	688.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05674	2.4
55.05284	2.9
55.05517	12.9
57.03447	7.8
57.77501	2.9
61.31250	2.7
65.03938	2.3
67.05135	4.8
67.05495	89.7
69.07048	14.4
71.04981	4.3
79.05486	26.4
81.07047	100.0
81.70226	2.7
83.08616	15.5
85.06541	4.2
91.05465	22.6
93.07033	40.9
95.08592	80.7
95.09135	4.7
97.06560	11.6
97.10176	6.2
105.07065	11.4
107.08594	26.2
107.09134	2.2
109.10145	45.6
111.08086	5.8
119.08566	15.3
121.10141	37.7
123.11736	12.2
125.09744	3.3
131.08597	11.8
133.10144	25.9
135.11690	26.7
137.09636	7.1
145.10147	7.9
147.11707	5.4
149.13246	7.0
151.11226	6.8
155.10660	4.0
159.11703	6.7
176.98329	3.3
215.17909	17.0
220.82375	3.0
233.18970	24.4
251.20056	62.2
251.22543	3.5
269.21179	5.1
307.22614	6.3
325.23724	80.6
470.21338	3.8
481.65903	3.7
492.62634	3.8
500.31351	3.5
593.44067	10.9
608.76550	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	688.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	13.2
57.03436	3.5
63.30941	2.7
65.03925	3.5
66.65843	3.2
67.05495	88.9
69.07064	19.5
79.05492	26.9
80.11553	3.0
81.07053	100.0
83.08638	14.5
91.05492	22.5
92.02078	3.4
93.07036	39.6
93.07555	3.3
95.08601	86.8
97.06505	7.9
97.10194	12.1
97.36387	2.8
105.07051	12.3
107.08601	27.3
109.10155	44.3
111.08114	8.5
111.11584	3.4
113.09694	3.0
117.07079	4.9
119.04832	3.2
119.08624	12.2
121.10155	38.2
123.11749	15.6
131.08595	7.7
133.10120	32.5
135.11700	30.2
137.09602	5.9
137.13275	6.3
139.91451	3.6
145.10184	8.0
146.48421	4.1
147.11719	9.2
149.13306	10.6
151.11227	9.7
155.10782	4.3
159.11728	4.1
160.93019	3.5
182.65302	3.9
215.17972	24.0
233.18980	25.5
251.20021	68.2
268.76874	4.1
269.21228	6.1
325.23676	98.7
325.27402	5.9
417.59015	3.9
575.43066	5.9
624.59680	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45573	2.4
55.05503	17.5
57.03423	8.7
62.76812	2.4
67.05494	92.7
69.07063	23.6
71.04985	3.5
79.05483	33.9
80.10322	2.6
81.07043	100.0
83.08624	18.7
85.06559	3.6
91.05464	25.5
93.07037	40.6
95.04938	3.7
95.08595	75.7
97.06526	12.5
97.10165	7.1
99.08135	3.0
105.07030	10.7
107.08588	24.3
109.10151	32.7
111.08121	8.2
117.06992	4.2
119.08587	8.3
121.10120	30.8
123.11709	11.9
124.39299	3.0
131.08562	7.8
133.10126	18.2
135.11726	18.4
145.10146	6.1
147.11650	6.7
149.13303	6.6
151.11169	7.4
159.11673	5.2
197.91830	3.2
215.18068	6.3
233.18990	4.8
251.20190	4.8
307.22668	8.2
325.23666	67.2
343.24789	8.2
367.24899	8.5
385.25766	4.9
557.42157	8.0
575.43018	56.9
635.44995	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	689.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	9.8
53.14037	6.9
55.05510	65.0
57.07069	18.0
67.05497	81.6
69.07061	100.0
71.08614	10.8
73.21120	7.4
74.19505	6.2
75.30087	6.8
79.05463	13.6
81.07053	75.2
83.08608	47.2
85.10177	7.7
87.48366	7.1
91.05465	12.0
93.07052	13.0
95.08601	55.3
97.10181	25.6
103.50101	8.0
107.08566	7.4
109.10149	29.2
111.11750	7.5
116.24210	9.6
119.08665	8.7
127.81956	8.4
145.80986	7.2
211.07497	16.5
223.07658	9.5
225.05403	12.7
235.07561	19.2
237.09090	24.7
239.07001	11.9
241.04843	15.2
249.09041	11.6
251.03520	12.4
251.06779	9.1
251.10689	14.7
255.06613	16.3
263.07050	19.9
263.10733	12.1
265.08658	8.7
269.04453	16.5
274.79782	8.3
275.10666	10.2
277.08514	20.4
279.06735	15.2
279.10046	12.7
281.08124	14.8
291.10229	11.6
291.13669	11.4
322.61578	8.8
366.26520	10.9
445.23566	21.3
463.24667	54.5
578.17084	9.6
635.44403	19.6
653.45087	37.2
671.46228	26.6
684.55817	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	689.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05301	5.1
55.05506	68.6
57.07056	21.2
58.46764	5.8
59.55366	5.2
64.76417	6.1
66.35162	6.1
66.77744	5.9
67.05491	71.4
69.02325	6.4
69.07065	89.3
71.08621	11.8
79.05485	16.0
81.07044	100.0
83.08614	43.2
91.05488	13.9
93.07036	16.5
95.08605	69.7
97.10137	33.5
107.08575	8.1
109.10168	36.5
111.11738	14.2
121.10118	8.7
123.11724	10.5
190.68317	6.5
211.07541	10.1
223.07524	20.5
225.05389	14.7
225.08894	9.3
233.75931	9.2
234.06783	8.4
235.07549	25.9
237.09085	17.6
239.07010	17.7
241.04886	16.3
249.05255	8.3
249.09074	17.5
251.03482	11.3
251.07039	14.5
251.10693	23.3
255.06656	15.1
263.07080	8.9
265.08646	14.5
265.79984	7.4
267.06445	13.3
269.04538	19.3
275.10834	9.0
277.08563	16.5
279.06613	9.1
279.10101	8.1
281.08148	23.5
289.12338	9.7
291.10208	10.1
295.09705	10.3
305.11755	7.8
333.10941	10.8
445.23639	22.8
451.48703	8.7
463.25070	36.3
625.47131	7.4
635.44281	16.4
653.45685	40.6
671.46417	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	690.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20640	1.9
65.33339	2.1
69.03396	5.5
69.29651	2.3
69.69637	2.6
79.05469	4.6
81.07056	2.8
81.92397	2.6
85.02892	6.6
91.71101	2.9
94.04149	2.8
97.02879	3.7
98.06047	13.2
101.47293	2.3
103.05476	7.2
114.99628	2.3
116.07080	12.6
121.06507	6.3
122.03608	7.4
124.59699	2.7
126.05495	4.7
131.04904	7.6
135.04424	6.1
137.05966	100.0
138.05486	15.1
144.06573	4.8
145.04938	4.0
163.03909	7.4
163.07516	21.7
168.06554	3.2
177.05426	4.5
177.61282	2.7
181.04933	73.2
193.14612	3.0
204.06706	3.5
207.06602	11.2
215.10286	6.5
216.51295	3.2
273.10916	5.4
313.10669	58.0
331.11691	35.0
353.59433	3.3
362.15720	4.7
465.00980	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	690.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19753	3.2
53.09578	3.2
56.26713	2.9
62.13989	2.9
77.57484	3.2
84.81863	3.1
85.02896	13.9
87.22506	3.8
97.02883	4.8
103.05468	6.3
109.06495	4.1
131.04955	11.5
133.02870	3.5
135.04373	4.6
137.05968	100.0
163.03929	4.8
163.07483	26.2
173.41626	3.5
175.83484	3.2
177.05460	6.4
181.04959	58.9
182.18340	3.4
207.06371	8.0
250.24486	3.8
313.10693	59.2
331.11655	40.6
348.61383	4.2
657.75946	5.0
678.10876	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	690.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72126	2.5
55.80241	2.3
56.13738	2.7
57.64519	2.4
81.68198	2.8
90.74189	2.8
91.81047	2.4
99.93893	3.1
113.07997	2.7
119.69057	3.3
132.78606	3.2
147.75673	2.8
148.05167	3.3
151.03882	17.2
151.18872	2.8
153.30002	2.7
162.52997	2.6
191.06898	4.2
329.13803	3.6
343.11731	100.0
371.90997	3.2
657.31409	3.9
665.66351	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	690.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.6
65.19274	2.3
66.95558	2.2
67.05495	34.3
69.07064	6.7
69.71698	2.2
73.22262	2.5
79.05486	7.7
81.07045	43.7
83.08613	5.2
91.05476	9.8
93.07045	7.8
95.08602	42.2
97.06514	3.4
103.05476	8.3
105.07044	7.7
107.08598	7.1
109.10170	18.4
112.43189	2.7
117.07037	3.3
117.89320	2.4
119.08572	2.8
121.06519	2.6
121.10143	7.8
122.03664	6.6
123.11725	7.4
131.04935	15.8
131.08589	3.8
133.06476	15.3
133.10136	9.2
135.08029	4.4
135.11703	7.8
137.05971	100.0
137.09669	4.1
137.13268	3.4
145.06520	7.0
145.10065	3.6
147.04404	5.4
149.05948	3.9
149.13271	2.8
151.07509	6.1
151.11165	6.0
155.10648	3.0
163.07532	23.2
195.13763	2.7
203.10707	5.6
215.17891	15.7
233.18988	9.1
250.13780	2.7
251.20030	55.1
295.13290	3.4
327.15900	9.5
346.51996	3.1
431.19089	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	690.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	5.2
55.05501	37.8
57.03416	11.7
57.07058	5.9
67.05170	8.1
67.05497	97.5
67.47424	4.1
69.07056	33.8
69.41681	4.2
71.04978	6.1
79.05488	24.9
81.07050	100.0
83.08617	34.5
86.09705	7.3
91.05460	23.7
93.07040	39.6
95.04941	5.6
95.08602	81.3
97.06539	9.8
97.10175	14.6
105.07014	10.0
107.08581	28.6
109.10158	38.6
111.08060	7.9
117.61226	4.7
119.08575	15.4
121.10139	36.7
122.44007	5.6
123.11693	9.2
131.08594	6.4
133.10162	18.6
135.11697	25.9
145.10059	5.2
147.11707	8.7
147.97072	5.5
149.13350	6.5
151.11234	5.2
161.13242	5.1
184.07317	14.5
233.19113	6.5
251.20059	8.4
307.22638	7.6
309.24210	32.4
312.07019	5.5
325.23569	25.5
327.25266	30.2
345.26419	7.9
385.25848	9.6
559.43433	21.4
562.05011	7.1
577.44409	35.2
637.46588	21.3
692.99170	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	691.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	33.0
58.36858	2.3
70.06580	4.8
72.08127	3.2
75.59119	2.3
84.96046	2.7
85.02883	4.5
97.99097	3.6
98.97576	28.4
103.20017	2.5
110.97584	5.1
116.98594	13.7
128.98627	8.3
131.66373	2.6
134.99658	5.8
137.57947	2.5
140.00208	15.9
140.20416	3.1
143.00165	3.4
144.08156	2.6
146.99681	6.4
147.04416	3.6
152.00243	9.0
154.78008	2.5
158.01273	7.4
161.01180	4.1
170.01271	8.5
177.00677	3.0
181.02879	9.6
184.02864	8.7
193.02873	5.3
195.03233	3.2
200.02318	8.1
201.00699	2.8
212.02202	4.3
213.04404	11.1
218.04973	4.4
219.01768	6.9
221.01266	5.7
223.03792	4.2
233.96475	2.7
235.51085	3.0
236.06023	9.8
237.02840	7.5
239.02272	12.7
242.03328	14.8
244.02707	4.4
257.03238	6.2
259.07520	4.0
260.04483	8.9
262.03726	14.4
280.04947	7.8
283.06073	11.5
285.05521	14.1
303.06454	6.5
304.04987	3.5
340.00375	2.7
340.04825	6.3
365.05389	100.0
366.06052	3.2
366.16666	3.0
383.06479	8.0
406.08047	58.8
547.13312	6.3
632.73431	3.5
691.15497	9.0
692.00098	3.4
721.97833	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	691.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	12.4
57.03430	4.0
57.46289	2.7
61.02915	9.2
67.05495	31.9
69.03413	7.4
69.07053	9.4
73.02902	5.2
79.05492	3.8
81.07048	18.0
83.08604	7.2
85.02885	12.5
91.03957	4.8
91.05456	6.9
92.38985	4.0
93.07025	8.2
95.08601	18.3
97.02866	4.7
97.10170	6.3
101.02380	3.8
105.07016	4.1
107.08601	6.0
109.10126	19.4
121.10108	3.8
127.03979	4.6
133.10165	3.4
135.11655	7.8
145.10152	3.4
147.04437	12.2
157.10123	3.6
201.43015	5.3
400.51260	4.0
404.16028	4.4
413.18039	11.1
519.29028	7.0
593.45642	6.7
610.43286	4.8
691.28119	4.9
691.40387	100.0
692.40259	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	691.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	7.1
56.99888	2.4
61.02912	7.7
67.05494	20.4
69.03424	7.2
69.07060	10.5
73.02895	3.6
79.05461	3.9
81.07038	17.7
83.08604	7.7
85.02900	8.2
91.03960	4.8
91.05480	8.6
93.07039	6.4
95.08597	14.9
97.02917	4.6
105.07037	4.3
107.08586	5.5
109.10163	12.0
113.02426	2.8
119.08563	4.7
121.10139	3.0
128.55714	2.7
147.04413	10.8
173.11673	3.9
212.72502	3.1
277.02344	3.5
314.17096	3.6
335.25848	4.4
413.17862	11.3
453.15036	3.5
691.40399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63851	10.0
55.05490	37.1
56.53947	11.1
67.05492	42.5
68.59429	10.9
69.07061	35.8
71.90976	12.4
74.88189	11.3
79.05477	23.2
81.07028	63.8
83.08635	32.5
91.05453	22.9
93.07028	30.5
93.79179	15.6
95.08602	75.0
97.10165	17.2
98.98454	20.6
105.07115	12.7
107.08593	33.1
107.32319	13.1
109.10147	25.9
110.52501	12.8
117.07010	20.8
118.53441	14.0
119.04955	19.0
121.10150	19.7
131.08588	28.8
133.10136	28.4
136.31018	13.2
143.08629	14.8
145.10144	17.7
147.04396	100.0
157.10126	21.3
169.10156	29.4
226.47104	16.1
287.48312	13.9
362.48730	15.7
593.45496	31.6
623.96722	17.9
691.43439	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	691.439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36767	2.7
60.12623	2.5
60.25429	2.4
67.05485	8.2
81.07043	8.2
83.08603	3.5
93.07033	3.9
95.08607	7.7
105.71867	2.6
109.01723	3.2
119.08547	3.1
121.10188	3.7
126.63226	2.9
171.82735	3.7
241.05316	3.5
279.54660	3.3
280.08841	2.9
291.19385	4.1
312.47836	3.4
351.21405	12.6
407.23987	4.5
571.39655	4.8
571.56757	3.3
631.41626	4.8
643.68549	4.2
691.43829	100.0
692.44843	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	691.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	45.6
57.07075	12.0
58.52341	3.4
67.05495	37.4
67.05797	4.1
69.07062	37.3
79.05503	4.2
81.07047	42.6
83.08630	17.4
91.05466	27.1
93.07072	6.1
95.04981	4.7
95.08594	31.2
95.60580	4.3
97.10197	6.3
109.10179	12.2
112.19718	5.1
128.05949	4.1
150.33688	4.1
157.06506	5.2
196.43646	4.0
211.07571	11.2
223.04175	4.2
225.09091	4.1
237.09169	9.8
239.07051	5.7
239.10887	6.1
249.09195	4.4
251.10741	8.1
255.06697	9.8
265.08591	10.1
267.06448	5.1
275.07095	5.2
277.12439	5.1
281.60309	4.8
289.12427	5.4
301.12338	6.8
346.31027	13.0
355.61478	4.8
373.02646	5.3
396.65018	5.6
436.35791	4.8
463.60471	5.3
465.25632	4.7
637.46228	9.2
655.47046	100.0
673.48340	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	691.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56244	4.6
91.70958	6.0
104.58144	5.1
110.59892	6.3
130.41187	5.8
130.89774	5.3
223.60225	7.3
263.65094	6.5
279.53262	7.1
529.22552	6.6
605.84076	7.2
691.49701	100.0
692.50641	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	693.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
61.79349	2.4
70.49194	2.6
81.06987	3.4
84.70011	3.0
85.92179	3.4
91.05466	3.7
94.04168	4.5
96.28434	3.3
102.87970	3.3
115.48090	3.0
127.91377	3.0
137.05975	100.0
218.06750	4.7
219.05127	8.3
237.06128	10.2
257.72528	3.6
260.07709	23.1
303.57227	3.4
340.05695	4.2
388.19839	10.9
429.22528	24.9
475.76984	4.5
494.69141	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	693.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19647	5.7
50.80650	5.9
55.53803	6.3
66.96927	9.3
79.66821	8.2
91.71104	9.5
95.63161	7.6
100.48718	7.1
123.24711	9.6
130.76985	7.6
164.81464	8.6
195.85593	7.9
202.93440	8.8
297.79568	9.0
304.14014	10.6
310.55457	9.2
456.91473	10.2
649.56201	10.0
693.43475	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	11.5
61.63552	4.8
65.74518	5.1
67.05499	33.0
68.12030	5.8
69.07062	17.8
69.80370	5.2
79.05457	11.8
81.07042	38.5
83.08624	11.1
91.05472	15.0
93.07057	23.4
95.08605	17.4
97.10162	7.3
98.98465	28.1
100.94360	5.7
103.20515	7.1
105.07024	31.1
107.08591	9.2
109.10123	10.1
117.07035	15.5
119.08613	21.5
121.10131	15.8
129.07040	12.5
131.08551	31.0
133.10176	8.2
135.11783	6.7
143.08574	11.7
143.65836	6.8
145.10112	24.2
152.16589	7.0
155.00879	6.4
157.10092	9.5
159.11650	13.3
173.13203	7.5
185.13249	10.0
187.14885	7.4
201.16408	8.1
235.88287	7.1
579.09082	8.5
595.47009	47.2
613.47888	7.2
632.79456	8.3
693.44946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20639	2.8
53.94719	3.0
67.05486	5.0
69.27733	3.1
71.58692	3.0
79.05433	3.5
81.07035	9.7
95.08589	7.8
107.08595	3.8
109.32914	3.8
112.15382	3.2
135.11739	3.9
154.11186	3.7
235.67697	4.1
239.15109	3.7
284.84540	4.0
291.19409	5.2
335.03677	4.3
351.21371	11.4
523.15515	4.1
693.45435	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91011	2.7
62.56502	2.9
65.76279	2.6
67.05487	4.5
67.67509	2.7
76.31329	2.9
79.05447	3.3
81.22208	3.5
88.21850	3.1
91.71632	3.7
94.12118	2.9
99.69151	3.1
118.58641	3.5
120.72022	3.5
195.45792	3.5
212.86055	3.9
291.19260	7.4
351.21530	5.1
365.22879	11.8
693.45471	100.0
704.80157	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	693.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33905	1.5
66.61008	1.5
67.54902	2.0
82.24274	1.9
91.71011	3.0
93.45144	1.9
96.13606	1.8
269.82782	2.1
291.19189	10.9
335.19659	2.1
336.48764	2.1
346.77563	2.1
351.21600	7.6
365.22919	13.2
440.13345	2.2
477.35870	2.2
477.57327	2.4
633.42816	4.0
688.42407	2.5
693.45380	100.0
694.45740	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	693.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
65.34348	3.1
76.68885	3.8
95.08641	4.0
119.82894	4.5
195.84140	5.1
251.04828	5.0
282.20880	5.0
458.60406	5.5
471.71631	5.0
473.66324	5.9
585.51514	5.1
593.78827	4.9
650.41956	6.5
693.45428	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.5521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49739	1.0
54.84226	1.0
55.53368	1.2
57.07058	2.2
59.83571	1.2
67.05475	2.1
68.05022	1.4
69.07043	7.4
70.53852	1.1
78.15767	1.2
78.65020	1.1
81.07043	1.4
86.09695	100.0
89.35664	1.7
91.71020	2.5
107.31289	1.3
109.69071	1.3
110.09661	5.3
128.39992	1.8
132.10176	2.1
139.14154	1.2
199.18079	4.4
200.16522	2.7
245.18565	12.3
308.29739	2.1
361.66458	1.5
363.74225	1.7
421.37885	3.8
449.37411	10.7
466.40005	1.6
484.73465	1.8
501.40912	1.6
693.44965	3.2
718.41882	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	694.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90218	0.7
58.51842	0.6
65.16348	0.7
67.05487	1.4
68.99808	0.8
70.06577	1.2
70.36926	0.7
76.02206	2.6
79.05490	1.6
81.03432	1.2
81.07049	4.0
84.04492	2.5
86.09706	1.3
91.05461	1.1
93.07046	0.9
95.04968	2.2
95.08578	2.4
107.04944	2.8
107.08643	0.7
109.02842	1.5
109.10143	2.3
109.29688	0.8
116.01703	1.0
121.06494	0.9
123.04432	2.7
123.08076	1.7
125.02413	1.0
127.03922	1.8
130.04922	1.1
130.06863	1.2
135.04405	7.6
139.03905	36.2
139.14502	0.9
149.05991	3.0
151.03905	97.2
152.04272	1.3
153.05479	1.4
159.04488	1.0
163.03899	22.7
165.05466	4.0
177.05484	8.5
177.09122	1.2
179.04878	1.1
181.04933	9.8
192.06621	0.9
195.06519	1.5
201.09013	1.5
207.10216	0.9
211.62869	0.8
219.10159	100.0
220.10497	1.3
223.88428	0.8
227.08173	1.3
241.09592	0.8
255.07231	1.5
256.07889	1.4
269.09055	1.4
274.09122	0.9
280.09940	1.1
283.10721	2.4
284.10916	1.3
287.10733	0.9
308.08987	2.2
311.10303	4.5
312.10394	4.2
319.07974	1.3
329.11295	8.1
330.11664	7.5
347.12372	17.9
348.12671	12.8
369.13385	1.2
387.14343	51.1
388.14648	2.0
396.70004	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.6
70.06564	3.8
76.02209	3.5
79.05500	2.1
81.03426	2.5
81.07059	5.0
84.08146	2.1
89.72672	1.9
91.33585	1.9
95.04946	2.9
95.08649	2.1
107.04933	4.8
109.10152	4.1
112.83064	2.1
113.87350	2.0
119.58960	2.0
123.04430	2.7
127.03945	2.4
130.05057	2.0
135.04416	9.4
138.77568	2.0
139.03905	45.9
149.05968	3.3
151.03905	100.0
152.41969	1.9
153.05475	2.5
162.02234	1.9
163.03886	30.1
177.05559	8.1
179.04880	2.8
181.04936	10.3
184.17291	2.2
195.06435	3.4
201.09102	2.8
216.06895	2.3
219.10155	86.6
231.10025	2.9
308.09021	3.0
369.12299	2.6
387.14362	72.9
393.75851	2.7
417.60684	2.4
540.47650	2.3
636.32532	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67160	1.4
60.04528	2.1
68.99779	1.6
69.03445	1.5
69.07049	1.6
70.06571	2.0
76.02211	3.5
79.05482	2.0
81.03406	2.0
81.07037	5.4
84.04485	2.7
84.90422	1.7
95.04973	2.0
95.08591	2.0
107.04968	4.1
109.02870	2.1
123.04412	5.6
123.08103	2.4
135.04419	9.8
139.03893	40.3
149.05986	2.9
151.03891	93.7
153.45634	1.7
163.03896	28.1
165.05502	4.1
169.05002	2.1
177.05515	11.6
179.04794	2.4
181.04964	11.3
199.57774	2.1
205.05031	2.1
207.10156	2.8
219.10136	100.0
220.10425	3.2
308.09055	2.9
369.13449	2.4
387.14340	63.7
463.16592	2.1
689.24347	2.0
690.87347	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	694.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	23.2
60.58197	9.6
67.05489	42.8
69.07054	33.1
71.05500	9.7
79.05483	18.3
81.07040	31.2
83.08572	10.4
84.04492	52.1
87.52863	11.1
91.05485	18.4
91.79940	10.5
93.07050	17.4
94.68201	10.3
95.08601	43.4
107.08517	11.5
130.05025	24.5
131.04933	13.0
164.37766	11.0
184.06252	12.6
187.20453	12.2
194.02718	21.8
222.02083	32.6
240.80217	13.1
299.25717	13.1
386.26901	17.4
444.25519	48.1
462.26642	42.3
547.28223	100.0
565.29510	16.0
619.30609	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	694.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37312	12.2
55.05484	18.2
57.21638	12.9
67.05482	31.0
69.07073	23.1
81.07035	34.5
83.08600	16.1
84.04496	30.4
95.08607	25.1
109.10138	17.1
124.52557	14.7
133.51636	15.7
153.13983	15.1
178.03268	27.0
194.02721	34.5
208.00777	15.0
210.02371	16.2
222.02261	100.0
375.49728	16.7
426.24448	72.0
444.25534	48.6
517.78119	17.4
529.27319	22.8
547.28387	49.6
694.33582	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	13.2
57.03407	4.7
57.07070	4.8
61.02914	28.5
67.05493	89.0
69.03415	2.7
69.07047	13.5
71.04994	3.4
73.02901	13.0
79.05481	36.0
81.07043	100.0
83.08601	9.9
85.02894	43.7
85.06535	2.8
86.91358	2.9
90.14739	2.9
91.03941	29.9
91.05467	24.9
93.06483	6.1
93.07030	77.4
95.08591	69.4
97.02872	20.4
97.10150	3.9
105.07020	22.8
107.08577	42.5
109.10141	36.6
111.08117	3.3
113.92061	2.6
117.07007	11.1
119.08569	21.8
121.10120	48.3
123.11684	21.1
127.03925	13.3
131.08542	20.6
133.10112	12.7
135.11678	38.1
137.13261	6.9
145.04951	11.3
145.10101	19.6
147.11665	16.3
149.13271	28.0
151.14915	3.9
159.11699	16.9
161.13239	10.9
163.06003	21.6
163.14824	22.2
165.12726	4.8
173.13239	16.0
177.16364	8.9
179.14296	4.4
187.14833	8.9
222.27281	3.3
233.22688	4.3
243.21027	41.6
243.22899	3.3
251.58162	3.3
261.22095	96.8
335.25729	16.9
353.26822	65.0
436.07977	3.1
499.74164	3.4
604.79437	3.4
622.49030	3.6
713.91675	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	695.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76561	4.0
79.40321	4.2
85.12152	5.0
104.34733	4.5
110.77941	5.3
112.94750	4.7
117.75205	5.1
120.52413	4.7
128.76297	5.5
236.64615	5.5
542.91876	5.0
559.39063	6.9
695.43317	100.0
700.44507	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	695.4485
Annotation	(1E,22Z)-1,22-Diferuloyloxydocosane
Peak:m/z	Relative Intensity
50.97341	3.1
67.05514	11.9
68.97711	3.3
79.05491	4.0
81.07077	11.5
83.90034	3.5
91.05500	5.9
91.70932	7.4
93.07055	4.7
95.08627	10.5
113.53546	3.4
121.10193	7.3
130.67586	4.1
133.10126	4.5
134.09625	4.3
150.22336	4.0
158.96533	3.7
228.18068	4.1
237.36632	4.2
321.93051	3.9
351.90231	4.7
367.24820	8.4
368.78891	4.7
440.95291	5.4
695.44995	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34302	2.0
55.84760	2.0
58.84895	2.0
67.05498	6.4
69.07066	2.6
70.69125	2.2
71.04985	2.5
81.07060	6.2
83.08606	3.5
90.08589	2.4
93.07066	4.1
95.08600	6.6
96.52193	2.5
107.08572	3.4
121.10252	2.5
159.75642	3.2
221.30141	3.0
291.19275	6.7
351.21494	9.1
412.14697	3.2
487.72131	3.2
635.44574	6.1
695.46936	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94390	3.8
51.41018	3.8
55.05513	20.1
55.13932	3.8
57.12573	4.0
67.05495	99.2
67.05830	7.0
69.07075	12.7
70.15543	5.4
71.48300	4.6
79.05486	27.9
81.07049	100.0
83.08647	20.9
91.05480	26.9
93.07039	41.6
94.57144	4.3
94.78929	4.8
95.04970	5.9
95.08601	82.6
95.09143	6.7
97.06555	9.4
105.07084	16.8
107.08599	26.8
109.10136	32.5
111.08157	7.2
111.46776	5.4
117.05500	9.7
119.08566	8.8
121.10126	30.8
123.11715	9.0
131.08647	6.3
133.10168	16.3
135.11740	14.9
137.74060	5.8
147.11754	10.0
149.13286	5.4
159.11772	7.1
166.58780	6.2
169.24434	5.2
194.66861	5.8
197.17018	5.2
215.18037	11.3
233.19084	8.0
251.20221	20.1
367.24799	68.9
575.42902	15.1
607.64246	5.9
676.18292	5.7
695.47009	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	695.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	24.8
61.62452	3.7
67.05497	100.0
69.07052	21.5
79.05490	30.7
81.07050	97.6
82.70412	4.0
83.08601	15.9
86.48794	3.9
91.05462	33.1
93.07030	48.1
95.08603	81.7
97.06532	6.3
97.10192	5.0
101.91847	3.9
105.07055	12.6
107.08598	28.4
109.10159	33.5
111.08077	11.5
119.08591	11.1
121.10144	33.1
121.31283	4.2
123.08083	4.8
123.11716	10.3
131.08498	8.6
133.10127	24.2
135.11664	21.0
137.09612	6.1
145.10136	7.8
147.11691	9.1
149.13217	6.6
151.11220	9.7
215.17943	8.1
233.19148	8.8
251.19994	21.2
349.23859	5.1
367.24802	79.5
439.63541	5.2
524.71735	4.9
575.43268	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	696.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	13.8
57.03425	3.6
57.07061	12.4
61.02914	28.1
65.03944	3.0
67.05495	89.8
69.03420	4.8
69.07060	26.7
71.08620	7.2
72.52210	2.5
73.02901	10.8
79.05483	24.3
81.07047	100.0
82.88981	2.8
83.08608	20.2
85.02892	40.4
91.03941	26.6
91.05469	17.9
93.07025	20.5
94.96156	2.6
95.08597	82.6
97.02859	19.1
97.06507	8.6
97.10162	12.4
99.08069	4.4
105.07018	8.5
107.08578	21.9
109.10133	42.1
111.08103	4.9
119.08585	13.5
121.10149	22.8
123.11713	19.2
127.03897	10.2
133.10146	14.7
135.11711	11.2
137.13274	8.3
139.11130	4.3
141.12721	3.1
145.04961	14.8
147.11710	9.7
149.13251	8.3
151.14781	4.4
161.13269	12.8
163.06024	13.2
163.14838	8.9
165.16389	9.8
175.14798	8.4
179.17941	6.9
189.16432	3.9
244.04483	3.3
245.22607	61.0
263.23660	78.8
281.24762	4.1
337.27374	38.8
355.28320	7.7
638.35803	3.7
674.60205	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	696.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	2.3
53.03930	1.4
55.01858	2.8
55.05508	14.5
57.03423	7.1
57.07066	9.7
61.02922	20.6
65.03932	2.4
67.05498	75.9
69.03419	1.8
69.07063	29.6
71.04976	3.1
71.08618	7.3
73.02903	8.0
79.05480	13.3
81.03422	2.4
81.07050	100.0
83.05001	2.1
83.08609	20.0
84.19115	1.8
85.02412	3.2
85.02897	34.3
85.06530	4.4
85.10173	2.3
91.03946	22.7
91.05477	16.5
93.07037	25.0
95.04975	3.8
95.08598	83.4
97.02885	16.2
97.06524	7.0
97.10165	14.2
99.08089	2.8
104.25362	2.4
105.07002	12.8
107.08601	16.0
109.10160	39.8
111.08068	4.3
111.11732	6.1
113.09644	2.4
116.21811	2.0
119.08601	10.1
121.10139	21.1
123.11693	18.2
127.03928	7.1
127.75994	1.7
129.05501	2.2
133.10109	14.9
135.11688	13.5
137.09671	2.3
137.13243	6.2
139.11194	2.6
145.04932	11.9
147.11662	8.5
149.13274	12.9
151.14821	7.0
155.12369	1.9
155.14346	3.1
161.13258	12.8
163.06004	14.0
163.14809	12.0
165.16383	7.2
175.14886	11.0
177.16437	2.0
179.17937	6.7
181.15843	2.3
183.74463	1.8
189.16379	4.8
204.08757	2.1
210.18588	2.3
245.22630	49.7
263.23672	80.4
318.06409	1.8
337.27353	49.8
338.27649	2.4
355.28445	13.0
648.17755	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	696.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	4.4
56.05024	9.3
57.07081	1.8
58.06577	2.1
60.04517	22.3
61.28966	1.9
61.71973	1.8
62.13755	1.9
66.10401	1.7
67.05496	5.1
69.07054	10.5
74.06074	16.6
80.71381	1.8
81.07040	9.7
82.06560	2.1
83.08614	5.7
84.04498	3.3
86.09699	100.0
87.05600	2.7
91.05457	2.2
93.07040	6.1
93.07892	2.3
95.08602	11.1
97.10181	2.9
97.96069	1.9
98.06041	2.7
107.08594	5.8
109.10178	3.1
110.06116	2.5
111.08086	3.9
117.07092	2.0
121.10150	6.2
124.07625	1.7
125.07108	7.0
130.62175	2.3
132.10210	3.4
135.11781	3.1
138.05508	5.0
138.09186	2.4
147.04424	3.3
152.10724	3.2
153.06567	4.2
157.06091	5.0
167.18387	2.1
171.07628	2.7
173.12805	9.9
177.16425	3.7
195.17441	2.9
199.83592	2.0
201.12389	7.4
222.08766	2.0
232.20659	4.0
245.18562	10.7
250.21570	11.2
253.11841	2.5
268.22766	2.8
270.14450	11.8
278.21213	14.3
288.15601	6.9
296.22162	4.6
302.54379	2.8
319.23822	5.3
337.24884	10.1
343.84155	2.1
347.23352	7.9
365.24222	7.1
389.91501	2.5
416.25632	4.4
419.25073	8.5
434.26428	9.4
452.27545	7.2
470.28616	4.1
565.36035	5.8
636.45337	3.8
695.46552	3.0
696.46771	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	696.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03982	5.9
55.01856	8.6
55.05515	32.3
55.98392	5.7
57.03446	10.0
57.07091	6.5
67.05494	82.9
67.05788	8.1
69.03439	21.7
69.07066	70.2
69.82317	5.9
71.05006	13.8
75.47454	6.2
78.44505	6.3
78.87955	6.3
79.05472	37.3
81.03400	46.3
81.07050	100.0
81.07471	8.0
83.04989	12.4
83.08626	10.1
85.02898	42.4
91.05465	38.7
91.86673	7.9
93.07028	62.3
95.04981	12.1
95.08610	56.3
97.02912	19.8
97.10130	11.1
99.04465	14.7
105.07027	45.4
107.08644	31.2
109.10207	14.6
111.11732	16.3
117.07045	13.7
119.08588	38.9
121.10172	28.8
121.31893	7.3
123.11776	23.2
127.03928	11.5
131.08601	26.7
133.10165	24.5
135.11755	10.4
139.11256	23.6
143.08571	11.9
145.10133	11.3
147.11697	16.8
155.14320	11.0
159.11800	14.8
161.13301	25.7
173.13283	10.2
203.14371	11.6
221.15341	15.4
239.16466	33.2
257.17667	8.7
262.53305	7.4
264.51367	7.2
277.21677	7.7
281.00641	7.7
312.20172	8.3
534.42841	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	697.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
63.32089	1.5
71.95937	2.1
81.03388	5.1
91.05472	2.9
94.04175	2.2
105.07032	5.6
115.05466	5.7
117.07108	1.8
122.03655	7.2
129.07005	3.8
131.04933	4.2
135.04401	12.4
137.05974	100.0
139.41660	2.3
143.04881	9.1
145.06453	2.3
151.03889	9.7
157.06415	2.0
159.08070	2.9
160.05186	2.2
161.05988	2.2
175.07512	15.0
187.07529	9.0
189.09088	4.4
199.07635	5.5
205.08679	5.3
225.70905	2.3
257.08121	3.3
271.09689	4.3
447.17920	3.3
697.26483	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	697.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63596	1.7
69.88173	1.7
74.44057	1.5
91.05475	2.1
91.70927	3.3
118.88719	1.8
121.52803	1.9
129.12732	2.1
129.23459	1.7
134.78333	2.0
139.80394	1.9
223.08928	1.8
236.30740	1.8
242.59845	2.2
293.20929	5.9
353.22806	9.1
367.24368	11.3
497.27249	2.0
500.52707	2.1
615.64899	2.6
617.04865	2.4
637.45831	3.2
697.48505	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69944	6.2
51.65652	6.7
60.59357	7.8
61.88964	6.4
75.11663	7.1
81.07059	7.9
81.94881	6.8
91.71597	12.5
97.53558	8.0
103.05449	8.9
124.34130	7.8
126.50787	7.3
134.27437	8.3
165.78391	8.2
166.85217	8.6
200.72855	8.3
273.50131	8.3
353.22830	11.7
363.78799	9.2
438.57202	10.2
551.03851	10.9
697.48932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	2.4
81.65199	1.5
138.16006	1.8
185.25124	1.8
234.84636	1.8
293.15894	2.3
297.35706	1.9
324.41650	1.9
375.73840	2.0
637.46381	10.2
697.48499	100.0
698.48969	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	697.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18366	4.4
55.05508	35.1
57.03416	8.4
58.55961	5.2
59.51528	4.6
62.62797	4.2
64.96123	4.3
67.05499	100.0
68.51945	4.6
69.07062	29.7
71.04971	5.5
72.64303	4.8
74.22104	4.7
79.05491	33.3
81.07053	97.6
83.08611	24.5
91.05482	34.3
93.07040	45.6
95.04961	10.5
95.08601	90.2
97.02593	4.7
97.06527	10.4
97.10152	15.1
105.07024	20.7
107.08588	30.2
109.10170	44.1
117.05513	9.4
117.07065	7.6
119.08595	14.5
121.10147	39.1
123.11739	13.3
131.08669	13.7
133.10124	18.1
135.11687	25.1
137.13255	8.2
138.48065	5.6
145.10132	6.3
149.13310	6.1
215.18068	11.1
233.19159	7.3
235.20605	10.1
251.19980	14.7
485.39856	18.3
501.83560	5.9
503.40967	9.6
516.78357	7.0
559.44183	8.3
577.44299	27.4
637.46368	7.5
647.28741	6.5
687.81268	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	697.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68679	6.1
55.01850	8.4
55.05492	24.5
57.03416	7.9
57.07039	6.2
59.71606	6.5
67.05497	100.0
69.07059	36.7
76.86045	7.4
79.05481	30.9
81.07043	99.7
81.11371	6.9
83.08594	18.6
91.05471	32.3
91.71661	9.8
93.07043	47.1
95.08600	98.9
97.06490	12.0
105.07068	20.3
107.08614	30.3
109.10151	36.2
121.10162	34.6
133.10117	19.6
135.11696	23.9
215.18002	8.1
423.01624	9.4
469.40158	10.4
551.28174	9.4
559.43414	20.0
577.44525	65.7
588.01831	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10912	1.9
55.05502	32.7
57.03445	6.7
57.07072	5.5
61.95109	1.6
65.03946	4.7
67.05493	100.0
68.36169	1.8
69.07061	46.1
70.12355	1.7
71.05000	2.1
71.12543	1.8
74.06908	1.9
79.05482	30.8
81.07043	99.3
83.04969	2.9
83.08606	30.3
83.09043	2.1
85.06552	6.5
91.05470	31.2
91.05964	2.4
91.70978	3.4
93.07028	49.9
93.07544	3.0
95.05015	4.5
95.08596	89.8
97.06543	12.7
97.10158	19.8
99.08112	2.3
105.07021	16.9
107.08587	26.7
109.06530	4.1
109.10150	36.7
111.08105	9.5
111.11732	5.9
111.43546	2.1
114.93908	2.0
117.05493	27.2
117.07052	3.5
119.08580	19.0
121.10117	28.6
123.11713	12.4
125.09642	2.7
131.08629	7.3
133.10127	25.7
135.11679	21.4
135.12488	2.1
137.09602	4.5
137.13307	3.6
139.11224	3.9
145.10088	5.2
147.11736	9.6
149.13316	7.8
151.11230	6.2
159.11707	3.6
161.13315	4.4
161.36955	2.4
163.11183	2.4
165.12717	3.3
195.14183	2.9
204.75113	2.2
215.18010	7.0
217.19525	3.9
233.19115	6.8
235.20515	5.7
251.20001	11.8
253.21851	2.9
307.22617	3.9
309.24219	33.1
325.23654	14.6
327.25775	3.0
351.25116	3.7
367.24771	22.0
369.26151	10.6
385.25021	3.4
485.39636	4.6
559.43878	5.2
577.44812	12.1
627.54041	2.6
711.47821	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78496	7.7
55.05513	31.0
57.03442	18.0
57.07074	20.3
61.02932	19.0
65.81047	7.8
67.05492	60.8
69.04671	7.9
69.07056	78.6
77.58992	10.3
79.05514	16.5
80.19527	9.7
81.07047	72.7
81.48158	7.8
83.08624	52.3
85.02920	27.1
89.26348	8.7
91.03965	27.4
91.27132	9.1
93.07056	27.1
95.08599	63.6
97.02921	16.1
97.06536	12.9
97.10192	23.1
107.08632	16.7
109.10138	23.2
111.08099	12.4
111.11788	8.9
117.97883	9.7
121.10180	37.4
123.11675	13.6
135.11743	29.6
145.04970	17.2
145.20709	9.4
149.13332	11.6
232.25275	9.9
239.20390	10.4
246.60423	10.7
247.24347	40.3
265.25259	67.8
339.28992	100.0
357.29938	49.0
395.95746	11.3
535.32928	11.9
549.88629	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	698.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	32.0
56.12012	5.3
57.03449	8.4
57.07073	24.5
61.02927	21.9
67.05503	34.9
68.59402	6.1
69.07059	64.4
71.08642	13.9
71.86803	5.7
71.91389	5.2
73.02940	9.8
79.05501	10.8
81.07045	63.8
82.63361	5.0
83.08606	47.6
84.08202	7.1
85.02885	35.2
85.06566	8.6
85.10184	6.5
91.00198	6.0
91.03977	23.6
93.07072	21.8
95.08604	58.2
97.02917	13.1
97.10197	29.9
107.08624	17.5
109.10193	25.6
111.11761	7.2
112.89287	6.2
116.14880	6.1
121.10155	33.9
121.21904	6.8
123.11721	9.3
125.14780	5.9
127.03934	10.1
135.11674	30.4
145.05009	14.2
149.13298	18.2
160.62247	6.0
163.06090	24.0
191.18112	8.6
193.13362	6.1
209.38913	7.0
242.95418	7.1
247.11995	7.0
247.24158	40.4
265.25247	100.0
283.26340	11.3
339.28833	82.3
357.29865	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40154	20.5
61.02922	24.8
66.17616	24.3
67.05484	87.6
69.07050	79.9
79.05516	36.8
79.73429	25.2
81.07049	72.4
83.08615	31.4
83.37151	24.8
85.02899	31.8
91.03897	28.5
95.08579	72.9
97.10152	55.7
98.77275	23.2
107.08561	30.1
107.55079	24.4
109.10191	47.5
121.10167	81.6
121.16146	26.5
133.47066	25.3
144.50800	25.0
148.51743	26.0
162.05312	25.1
206.23724	26.4
247.43361	30.8
265.25308	100.0
339.28891	84.2
357.29962	39.8
394.34348	32.5
404.24091	28.6
418.70374	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
53.59439	1.3
55.01865	1.5
55.05507	15.6
56.61380	1.2
57.03429	55.6
57.07079	2.3
61.02944	1.8
64.04482	1.3
67.05495	55.1
69.07062	12.8
71.01357	7.7
71.04997	3.0
71.08641	1.8
79.05483	47.8
81.03423	4.7
81.07045	47.4
83.04967	9.1
83.08609	23.3
85.02908	3.0
85.06542	2.5
91.05469	21.6
91.05938	1.5
93.07030	73.7
95.04985	7.0
95.08599	43.3
97.06522	3.2
97.10174	2.8
97.30576	1.5
97.82119	1.6
105.04565	2.1
105.07043	12.6
107.08580	21.6
109.10138	13.1
117.07043	3.4
118.06561	2.2
119.08594	11.4
121.10138	64.8
123.08057	3.2
123.11729	4.8
131.08553	14.7
133.10135	9.6
135.11673	9.2
136.06244	2.9
139.11188	14.6
145.10162	5.7
147.11658	4.0
149.09657	6.4
149.13293	3.5
151.52553	2.0
153.12683	1.9
159.11774	2.9
161.13292	2.6
163.14819	2.2
167.10652	15.3
170.24924	1.8
173.13271	4.3
187.14883	2.1
239.12941	3.6
241.14326	100.0
242.14767	2.6
243.21118	4.8
261.22128	13.9
334.49054	2.2
335.25787	32.9
371.00168	1.9
391.30133	2.4
409.30902	2.9
483.34744	2.2
501.35712	39.8
501.42783	2.7
502.36203	3.0
519.36853	2.6
595.41168	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	698.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39813	2.1
55.05506	15.5
57.03430	15.2
57.07050	2.4
61.02924	4.7
65.03915	3.0
67.05495	85.6
69.07054	24.7
71.04984	5.1
78.84492	2.1
79.05487	53.1
80.34092	3.1
81.07047	100.0
82.07377	2.6
83.04965	4.5
83.08623	15.5
85.02908	4.5
85.06548	2.6
87.95196	2.2
91.05469	28.1
93.07033	93.0
95.04969	9.0
95.08585	37.0
96.08893	2.6
97.06525	9.1
97.10181	4.4
99.08084	5.0
105.07036	17.7
107.07793	2.9
107.08584	34.9
109.06535	3.7
109.10155	13.9
110.31838	2.4
111.08089	7.8
117.05529	5.5
117.07005	8.1
119.08591	8.6
121.10133	41.9
123.08186	2.5
123.11687	6.4
124.73946	2.5
131.08554	13.7
133.10155	13.2
135.11673	16.4
145.10136	4.7
147.11678	3.8
149.09535	3.0
149.13232	30.8
159.11693	9.7
173.13278	4.4
177.12735	5.3
195.13811	7.4
215.17909	16.4
233.18979	13.7
269.17453	57.1
271.79761	3.1
307.22647	56.8
501.35681	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.52
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64140	6.0
51.33960	6.3
52.50820	6.2
55.05501	22.7
57.03440	9.4
67.05494	86.5
69.07059	27.4
71.52448	5.8
79.05489	25.4
81.07048	100.0
83.08621	24.0
85.06538	10.0
85.78825	7.5
86.87669	6.4
91.05483	19.7
93.07051	46.0
95.08599	99.1
97.10184	9.4
104.92500	6.2
107.08605	25.0
109.10175	42.2
119.08557	15.2
121.10119	41.7
123.11607	9.4
133.10115	14.8
135.11697	21.6
182.62218	7.4
325.23779	34.1
353.26855	68.0
367.23685	9.9
603.45966	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	698.5557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29741	1.6
51.49954	1.5
55.05510	3.4
56.05018	2.7
57.07075	6.5
58.82110	1.6
67.05495	15.1
69.07075	4.9
70.06580	2.8
70.86449	1.6
71.08621	3.2
72.08149	12.6
75.66261	2.1
79.05495	7.4
80.05026	6.6
81.05801	3.6
81.07056	11.9
82.06568	10.1
83.08627	3.2
91.05457	10.4
91.70993	3.8
93.07024	11.1
94.06553	28.2
95.04990	2.2
95.07365	7.1
95.08594	13.2
96.08149	6.0
97.10201	2.2
105.07050	6.6
107.08584	4.0
108.08173	3.0
109.10177	3.2
110.16602	1.9
118.08643	16.5
119.08611	5.5
121.10172	4.3
122.09718	2.4
133.10150	2.2
150.09203	2.4
188.99541	2.1
241.15677	2.2
250.25433	5.9
256.26462	3.2
262.25266	100.0
280.26346	11.0
407.11627	2.3
500.48389	8.8
518.49182	21.1
680.54486	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	698.5716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
55.52733	0.4
61.63187	0.4
66.69217	0.4
67.05485	3.1
69.07084	0.6
70.06583	0.8
72.08144	77.3
79.05486	2.0
79.47312	0.5
81.07053	3.4
81.66452	0.4
82.89982	0.5
91.05462	3.9
91.71729	1.0
93.07027	4.2
95.08586	3.0
105.07013	3.2
107.08568	2.4
109.10152	0.8
117.07026	1.1
118.08646	100.0
119.08560	2.2
121.10112	1.1
131.08548	1.0
133.10136	1.8
140.78542	0.6
145.10153	0.9
147.11674	1.4
154.05565	0.5
178.65259	0.5
201.16393	0.5
227.74463	0.7
246.73170	0.7
322.48343	0.5
537.66559	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26160	2.5
51.89409	2.1
52.59067	2.0
52.91018	1.9
53.38382	2.0
67.87307	2.2
77.20171	2.3
85.92353	2.5
91.67739	2.9
94.84858	2.5
100.38931	2.8
221.81076	3.0
247.99557	2.9
298.40076	3.2
380.02090	3.2
508.47720	3.4
524.60181	3.2
537.30237	22.4
544.44452	3.0
559.81476	3.5
699.35608	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51976	2.0
55.05505	33.6
57.03442	11.1
57.07075	5.8
65.03948	2.5
67.05496	86.1
69.07059	59.2
69.07413	3.3
71.04971	2.8
71.08237	2.4
71.08609	3.3
74.32302	2.3
79.05481	19.7
80.79736	2.1
81.07045	100.0
82.26917	2.4
83.04990	5.4
83.08613	34.8
85.06554	4.4
85.10229	2.3
86.09782	2.5
91.05457	23.4
93.07040	41.3
93.07631	3.1
95.08597	84.3
97.06550	8.8
97.10168	27.4
100.64117	2.7
105.07050	16.6
107.08596	24.9
109.06482	3.0
109.10150	33.6
109.10725	3.1
111.08127	7.2
111.11768	9.3
113.09686	3.8
117.05502	19.6
119.08556	15.4
121.10136	34.4
121.10813	3.1
123.08066	3.0
123.11672	13.0
125.09645	4.0
131.08612	3.5
133.10156	17.0
134.03966	3.0
135.11693	34.9
135.12477	2.9
137.09622	4.0
137.13321	5.9
139.11183	4.1
145.10158	3.6
147.11671	13.3
149.13303	9.3
151.11108	2.5
151.14894	5.0
153.12828	3.2
161.13306	9.9
165.12758	3.4
175.14864	4.4
193.19598	3.4
217.19464	21.7
223.48065	3.2
235.20581	33.8
253.21660	21.1
279.04257	3.1
291.23242	4.2
309.24405	11.3
327.25574	4.2
469.40610	10.3
487.41290	20.4
505.42502	9.0
561.45001	8.4
579.46063	11.9
621.47473	4.8
639.47839	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	699.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33203	5.6
52.44082	5.9
55.05491	38.6
57.03405	6.5
57.07067	7.2
57.83657	6.2
67.05492	77.7
69.07062	59.7
79.05484	19.1
81.07046	100.0
83.08612	23.0
86.09658	9.4
91.05468	14.2
91.71577	13.7
93.07043	42.7
95.08607	70.9
97.10168	20.9
105.07041	14.3
107.08587	28.5
108.03109	9.5
109.10126	40.5
117.05478	17.5
119.08549	15.2
121.10149	33.7
123.11715	14.7
125.09630	10.6
135.11687	34.7
137.13252	9.3
147.11650	15.7
175.02921	8.5
217.19522	20.7
220.52893	8.4
235.20615	20.1
235.31845	9.2
268.28397	10.4
284.50525	9.6
308.68143	8.8
451.04272	9.5
487.41620	24.8
579.46497	10.1
622.30627	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	699.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44072	3.6
51.79022	3.4
53.00318	4.8
55.05503	51.8
55.05695	4.5
57.03439	4.4
57.07082	10.6
65.03940	4.2
67.05496	78.3
69.07061	78.1
71.05012	5.8
79.05511	16.9
81.07043	100.0
83.04973	4.6
83.08617	44.0
85.06548	5.9
85.10208	5.0
91.05475	26.7
93.07037	41.9
95.08601	80.7
95.09220	4.9
97.06551	12.7
97.10175	30.0
99.08111	4.5
99.48307	4.3
105.07019	22.4
107.08572	24.1
107.88889	3.8
109.10152	35.2
111.08112	7.6
111.11747	13.0
117.05478	35.3
119.08646	18.6
121.10138	27.8
123.11754	15.0
133.10185	15.5
135.11707	27.8
139.11174	6.2
147.11728	15.4
149.13281	9.0
149.80904	4.5
151.11189	6.9
161.13326	9.9
168.95267	4.7
216.68916	5.8
217.19540	13.5
235.20557	25.0
248.50761	5.0
253.21675	7.9
309.24271	32.1
327.25400	13.2
369.26376	24.3
561.44989	11.2
579.45984	13.5
690.92407	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	700.281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15609	0.7
55.17403	0.6
69.03407	2.8
73.02907	0.8
81.03405	2.0
81.07085	0.7
85.02892	8.4
85.73873	0.7
90.02726	0.7
91.05470	1.2
94.04181	1.0
97.02879	3.0
103.05479	1.1
109.06493	1.3
111.04427	1.2
115.05436	5.0
117.07018	2.1
122.03667	2.9
125.06013	2.0
127.03875	1.2
128.06200	1.5
129.06990	4.9
129.07796	0.9
131.04922	2.6
137.05974	78.3
143.04924	8.8
144.05666	1.3
145.04958	2.1
145.06490	1.8
151.07547	1.0
153.05516	1.7
157.06432	4.9
160.05196	15.0
161.05971	1.7
163.07539	2.0
172.05161	2.2
174.06746	1.0
175.07536	100.0
180.08723	1.2
184.07578	1.7
187.07529	35.1
188.07941	1.2
189.09070	6.8
203.08612	1.5
205.08611	17.2
211.07542	1.7
217.08652	2.5
219.08104	1.4
231.04478	0.9
231.08055	1.7
235.09653	25.4
247.07547	0.8
248.08252	1.5
255.06581	1.2
259.07623	1.1
263.10574	1.9
270.08826	2.2
271.09677	3.2
279.10284	1.4
291.10062	3.8
296.10233	1.1
311.12726	2.9
323.12802	5.1
341.13864	8.0
407.69516	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	12.9
57.03432	5.7
58.50146	3.4
59.92731	3.6
67.05496	63.8
69.07053	10.4
71.04981	5.3
79.05470	12.8
80.23608	3.5
81.06606	8.2
81.07051	100.0
81.65993	4.0
83.08607	8.6
84.73710	3.4
85.06546	10.6
87.04472	5.9
91.05493	10.9
93.07045	22.6
95.08595	20.1
97.10099	6.0
100.56200	4.0
104.07109	4.9
105.07025	8.9
107.08577	12.3
109.10131	13.2
119.08561	7.0
121.10119	9.9
123.11709	16.2
133.10161	7.3
135.11620	5.5
145.10147	4.9
161.13303	5.9
187.13239	8.8
243.15891	53.6
244.87537	4.5
261.22189	8.6
268.04593	4.1
291.32730	4.2
335.25781	29.8
503.37180	17.2
621.56879	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	700.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18708	5.2
55.05495	17.8
67.05501	44.4
69.03411	13.7
69.07050	30.0
73.40533	6.8
78.51484	5.3
79.05471	26.8
81.03425	11.4
81.07057	61.2
83.08614	11.5
85.02895	15.6
88.98096	6.5
91.05476	51.8
93.07042	39.9
95.04981	10.6
95.08581	48.5
97.02885	100.0
105.07027	39.6
107.08614	22.8
109.10152	20.9
116.06239	6.9
117.06998	10.9
119.08602	20.6
121.10133	9.7
127.03891	8.9
128.06264	7.2
131.08577	30.5
133.10117	27.1
135.11676	8.8
143.08502	16.3
145.10085	23.0
147.11682	22.3
157.10162	12.2
159.11723	10.7
161.13239	9.7
169.10146	11.5
171.11771	8.8
172.24098	7.0
173.13402	9.6
336.93356	9.2
357.24356	34.9
375.25223	62.4
393.26505	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	700.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	34.2
57.03414	9.7
57.07057	10.7
60.71385	7.6
67.05228	8.9
67.05499	100.0
69.07069	49.4
74.94707	9.1
79.05479	32.2
81.07044	85.2
83.08625	32.3
86.02928	9.4
87.19904	9.8
91.05455	18.8
92.84623	9.1
93.07028	41.0
95.08582	78.7
97.10167	11.3
102.44965	9.9
105.07045	14.6
107.08586	21.8
109.10152	42.5
111.03275	10.3
117.84134	9.1
119.08607	14.4
121.10139	29.3
123.11666	10.6
130.17786	9.2
133.10103	20.6
135.11729	22.2
140.04489	9.4
147.11620	11.1
233.19017	15.1
237.46896	9.5
309.24359	12.7
325.23721	39.6
337.27435	28.7
353.26752	11.2
355.28323	35.4
490.26599	12.7
587.46527	14.7
605.47333	33.3
692.17572	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	701.265
Annotation	Unknow
Peak:m/z	Relative Intensity
64.49902	1.7
69.03412	2.9
79.53453	1.9
85.02888	14.2
92.15079	1.9
97.02886	3.1
97.70927	1.8
107.04953	3.0
113.69152	1.7
117.07166	2.6
122.03650	6.0
127.03938	3.6
129.07014	4.6
131.04854	2.6
137.05962	100.0
145.04958	3.1
149.05954	2.6
151.07564	4.2
157.06517	4.5
171.07997	2.2
172.05183	4.1
174.06778	5.2
175.07529	19.6
187.07513	50.1
187.09177	3.0
189.09055	16.8
199.07547	2.4
201.09274	2.3
203.08516	3.9
217.08501	19.3
219.08159	3.1
231.07980	4.3
247.07692	5.6
248.08272	4.1
251.10605	4.0
263.10724	7.4
270.08859	2.2
270.32562	2.1
276.07843	4.7
279.10217	7.8
291.10147	13.3
296.10355	4.4
308.10864	2.4
311.12741	12.6
323.12747	19.7
341.13757	46.6
341.17712	3.3
394.03751	2.2
449.00888	2.2
521.91199	2.2
651.00549	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	701.265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72908	1.7
58.14742	1.5
68.02527	1.8
69.03417	4.6
79.73517	1.8
81.03384	2.0
85.02905	12.9
91.08224	2.0
92.71889	1.9
97.02900	4.9
106.56705	1.9
109.06586	2.4
109.10999	1.8
109.44901	2.0
122.03737	2.9
129.06992	6.7
131.04956	2.4
137.05972	100.0
144.05847	2.4
151.03880	2.0
151.07526	4.3
157.06450	5.4
160.05138	3.0
170.31285	1.8
172.05261	3.9
174.06750	4.9
175.07510	21.9
187.07530	57.1
189.09100	19.1
201.09160	3.2
203.08556	4.8
217.08565	25.0
219.08110	6.2
231.08015	6.2
236.04723	2.2
247.07529	6.2
248.08372	4.7
252.80179	2.0
256.07257	2.3
263.10690	8.1
270.08658	2.8
276.08002	2.8
279.10211	9.3
291.10086	15.0
296.10370	4.7
311.12564	9.7
323.12714	20.3
341.13828	47.6
363.19009	2.6
510.96539	3.0
581.90686	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34414	2.2
54.96548	2.2
67.05506	4.3
79.05505	3.4
81.07042	4.6
91.71053	3.4
93.07042	3.8
95.08615	3.7
100.26476	2.6
104.46947	2.6
224.64821	2.8
249.67079	3.2
293.52350	2.9
428.84665	3.0
539.31866	27.9
661.77594	3.3
701.37219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82982	1.7
59.83585	1.8
60.78806	1.9
62.58224	1.8
65.27191	1.9
67.05509	2.6
75.47642	2.0
91.05495	2.1
93.07037	4.1
95.08543	2.9
158.89677	2.2
171.38263	2.2
187.66660	2.4
365.10324	2.7
539.32129	18.7
688.35803	3.0
701.37140	100.0
702.37213	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	701.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	8.0
58.72636	7.8
66.74802	7.2
70.67200	10.0
72.08128	22.9
73.81056	8.7
79.97956	8.1
82.06635	9.9
92.87532	8.8
108.83480	8.4
118.08639	17.6
197.44347	10.4
204.63663	11.9
240.80582	9.7
297.55109	11.3
306.63419	11.8
349.61331	12.5
352.50174	11.7
556.98486	11.7
690.12799	13.1
701.40179	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56352	0.8
51.09245	1.0
51.92279	0.8
66.33939	1.0
69.03423	1.8
85.02890	5.2
91.05473	1.5
94.81986	1.1
97.02912	1.8
106.31712	1.1
113.11417	1.0
129.06990	7.0
131.08568	5.3
137.06029	5.8
141.07059	4.0
141.22951	1.0
157.06587	4.5
158.07274	1.4
159.08051	5.6
169.06502	1.6
174.06758	11.0
175.07585	4.0
186.06744	2.7
188.08372	1.5
189.09108	25.3
191.10745	2.3
201.09096	9.2
219.10147	100.0
338.66058	1.4
345.98700	1.2
401.03793	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	702.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25042	2.5
53.10416	2.5
54.97513	2.3
58.65370	2.8
62.31508	2.9
70.06585	5.9
71.45510	3.1
72.08159	4.6
77.48365	3.2
85.02901	7.0
91.05524	5.3
106.69479	3.2
119.04905	3.9
129.06998	3.8
131.05014	4.1
137.05974	47.7
147.04489	5.6
149.06058	4.8
151.07530	44.3
161.06104	7.0
163.07608	12.8
177.09093	4.6
189.09111	16.0
195.08112	5.3
223.07576	3.5
227.10699	12.0
253.08810	4.7
253.12292	8.8
255.10292	13.4
285.11212	7.5
287.12750	20.4
313.14334	17.6
331.15381	100.0
334.35049	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	702.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39048	5.6
57.07065	18.4
65.03918	10.3
70.06589	48.9
80.51149	7.3
88.07617	38.9
102.09174	26.1
128.26607	7.4
149.02338	99.5
193.04961	56.2
195.75703	8.1
251.49153	9.4
256.26300	61.0
300.29007	18.6
341.06580	10.1
385.08990	21.3
403.09833	14.9
429.11755	24.9
473.14447	14.2
512.40820	9.9
620.26263	10.4
702.38330	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	5.4
57.07067	78.5
67.60763	4.9
69.07083	11.7
71.08626	63.4
73.06564	7.3
77.56935	5.1
85.10193	36.2
87.04478	11.7
89.06025	100.0
89.06542	8.9
93.06393	5.3
117.09179	8.3
118.61536	6.0
130.08633	34.4
131.07126	7.0
133.08580	84.2
172.06071	6.0
177.11192	29.3
185.64966	5.8
190.52318	6.2
221.13901	6.1
223.89209	6.4
259.21164	5.8
259.80557	6.6
271.26492	6.9
294.72992	6.6
372.06845	6.2
437.85645	6.8
554.95001	8.4
603.02496	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	703.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47602	5.6
54.47762	5.6
59.13334	5.6
78.32160	6.3
81.80477	5.3
84.22063	6.5
91.71070	11.7
133.05867	7.4
177.01056	6.6
219.38773	7.7
259.07953	9.2
318.56543	7.7
439.50330	7.6
541.26465	13.1
675.10266	8.3
703.31293	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61266	4.1
55.30782	4.6
74.19938	4.2
84.96028	4.2
125.50258	5.2
132.90057	4.8
141.83041	4.8
200.11485	4.9
210.80692	4.4
241.54457	5.1
451.06418	5.9
541.33527	17.2
703.38593	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79429	4.2
202.02783	6.0
275.94125	6.0
278.17761	5.5
312.26450	5.5
541.33649	21.9
703.38690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72406	1.6
55.05503	3.8
57.03427	7.4
57.18465	1.5
61.02896	3.5
65.36297	1.5
67.05489	9.5
69.03405	5.4
69.07068	4.4
69.92099	2.1
73.02919	2.7
73.81706	1.8
79.05493	6.7
81.03390	3.0
81.07037	11.4
81.25500	2.0
83.08656	2.5
85.02893	8.1
86.00511	1.9
91.03960	4.7
91.05467	4.6
93.07043	11.9
93.34311	2.0
95.08578	10.2
96.27582	1.9
97.02901	7.0
101.02387	2.7
107.08563	5.3
109.02891	2.0
109.10152	2.6
116.07147	2.2
119.04906	2.9
121.10174	9.8
127.03954	2.6
131.08574	3.2
135.11726	3.2
139.11220	2.4
140.28397	2.1
141.93413	2.0
147.04427	6.1
148.04816	2.2
153.70258	2.1
425.17770	8.3
486.40442	4.7
519.29315	5.9
703.40234	100.0
704.40302	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	703.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
55.05508	3.1
57.03426	2.7
61.02925	7.1
67.05508	12.6
68.03039	1.6
69.03432	7.4
69.07073	2.6
71.74107	1.9
73.02911	5.1
79.05499	5.7
81.07047	11.0
83.08649	2.1
85.02888	9.2
91.03964	6.8
91.05496	6.0
93.07039	12.3
95.08631	8.1
97.02867	11.0
101.02402	3.5
105.07066	3.1
107.08629	5.1
109.02856	3.0
109.10159	2.5
109.93978	1.7
117.07023	2.4
121.10174	5.4
127.03945	2.3
131.08575	2.1
133.10136	4.4
135.11716	2.7
145.10263	1.9
147.04414	2.2
149.13292	1.9
159.11806	2.8
166.10565	1.8
235.13205	2.9
243.08455	2.6
296.79520	1.9
453.21167	3.3
475.12527	2.4
491.26279	9.0
530.48761	2.0
703.40228	100.0
704.40686	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	703.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87884	8.8
55.05496	11.6
63.34817	8.0
65.88935	7.3
67.05479	18.3
68.27575	8.1
81.07048	19.2
83.08634	11.4
83.61797	8.6
88.32525	10.1
89.06033	14.6
93.07011	20.0
95.08589	15.6
105.62778	8.4
121.10104	9.6
133.79176	9.0
161.31834	9.2
177.11292	12.7
259.40891	9.3
275.29959	9.3
283.89185	10.3
351.21106	10.8
703.47607	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50926	0.3
50.51144	0.7
53.03915	0.3
53.32251	0.2
55.01852	0.5
56.37225	0.3
61.02900	0.4
69.03406	1.4
75.23322	0.3
79.05483	0.7
80.58387	0.4
81.03391	1.0
81.07042	0.6
85.02419	0.5
85.02894	6.2
91.05464	1.5
94.04179	1.9
95.04930	0.6
97.02869	1.4
103.05470	6.6
105.07023	3.6
107.04942	1.2
109.02857	0.4
109.06506	0.9
117.07017	0.7
121.06522	2.9
122.03641	4.2
123.08038	0.6
127.03907	0.9
128.06218	1.2
129.06989	0.8
130.03030	0.4
131.04916	8.7
133.06477	16.2
135.08049	5.5
135.27155	0.3
137.05971	100.0
138.06311	1.0
143.08539	1.2
145.04982	0.9
145.06487	3.6
147.08090	1.7
149.05991	1.2
151.07535	5.2
155.06155	0.4
157.06479	1.7
159.08015	0.5
162.06775	0.4
163.07527	25.5
164.07770	0.4
165.09029	0.4
171.08037	1.7
174.06741	0.7
175.07526	2.0
177.09126	0.6
179.08537	0.4
187.07524	0.8
188.08281	0.5
189.09042	3.3
203.10623	4.5
221.11765	0.7
235.11116	0.6
245.09587	0.6
263.10669	1.4
295.13269	10.5
327.15881	24.7
345.16980	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	704.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33667	1.8
54.72961	1.7
55.05507	11.3
55.05709	1.9
57.03442	1.6
57.07045	2.5
65.03929	2.2
67.05495	76.9
67.16012	2.0
67.29663	1.8
69.07059	16.4
70.57301	1.7
78.74970	1.9
79.05484	19.5
81.07048	100.0
83.08614	18.3
85.06541	3.8
88.96353	1.6
91.05475	26.8
93.07041	32.6
95.04918	2.2
95.08601	75.0
97.06512	6.1
97.10159	13.7
105.07015	9.7
107.08592	22.5
109.10152	38.1
111.08090	6.5
119.04926	20.2
119.08587	8.0
121.10148	32.6
123.08013	2.6
123.11697	19.7
131.08577	6.0
133.10126	21.1
135.11700	29.7
137.09692	5.1
137.13275	9.2
145.10123	6.7
147.04402	66.1
147.11679	5.1
149.13293	9.6
151.11182	6.7
159.11668	4.9
167.08257	2.4
172.57440	2.2
173.13243	3.3
184.07275	2.1
186.49622	2.1
215.17975	16.3
233.19002	14.1
235.20642	2.6
237.22194	7.5
251.20035	37.4
251.94221	2.0
269.21115	9.2
304.42123	2.0
469.40417	21.3
487.41339	10.6
505.42468	6.4
679.66718	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	704.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78761	4.1
57.07066	29.3
71.08624	38.6
73.06531	14.0
83.08656	6.7
85.10166	20.8
87.04464	13.1
89.06026	100.0
117.09153	11.7
130.08643	24.0
133.08607	58.6
138.36607	5.7
141.16405	5.9
177.11293	21.8
226.21616	6.9
281.70428	6.3
350.01529	5.8
353.21548	5.9
358.35938	5.5
375.65872	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	705.1843
Annotation	Diinsinin
Peak:m/z	Relative Intensity
56.26148	4.5
65.12599	4.0
66.96080	4.4
74.32116	4.7
91.70999	9.5
108.98374	6.1
170.13625	5.7
368.03479	8.7
543.13190	33.1
656.71777	7.1
705.18549	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08138	1.7
94.79237	1.7
107.24327	1.8
137.05981	9.4
231.03621	1.7
432.53525	1.7
533.78503	1.9
543.19019	2.8
595.76959	1.9
646.91736	1.9
705.23633	100.0
706.23804	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	705.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
62.17139	3.3
66.97794	3.5
67.05511	3.7
67.21426	3.6
69.07046	7.3
81.07039	10.5
291.19330	6.0
351.21381	10.8
705.49048	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28910	2.0
55.05503	15.4
56.86157	2.0
57.07052	3.7
59.56315	2.2
67.05495	50.2
69.07065	26.1
73.43776	2.4
79.05472	12.4
81.07049	74.0
83.08606	18.4
91.05477	21.3
93.07028	24.4
95.04923	2.8
95.08598	57.2
97.06532	6.0
97.10175	12.7
99.08092	3.3
99.66813	3.3
105.07022	9.6
107.08581	15.8
109.10160	24.1
117.07021	3.3
119.04927	22.3
119.08595	8.3
121.10146	27.3
123.11735	15.0
133.10121	12.0
135.11694	16.2
137.13255	8.2
145.10149	3.2
147.04405	100.0
147.05515	5.6
147.11717	4.8
149.13243	6.2
161.13226	3.8
174.92177	3.4
183.06506	3.3
215.17969	9.2
217.19540	3.5
233.19067	5.5
235.20601	6.5
237.22380	3.1
251.20107	13.7
252.64328	3.5
252.67038	3.6
305.20224	3.2
335.65036	3.1
376.89920	3.2
471.41977	14.4
489.42841	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	707.207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	22.4
69.35401	5.4
71.51991	6.5
72.01810	4.9
81.07052	24.9
83.54659	5.9
84.96017	10.9
95.08591	8.7
98.97579	83.2
112.99168	7.2
116.98601	47.9
120.53057	6.2
131.00169	14.1
134.99661	9.4
140.00174	56.9
147.04425	16.5
149.01242	7.3
151.78644	6.2
152.00188	10.2
154.01756	21.6
158.01283	22.2
158.99588	41.9
172.02823	11.5
173.01212	29.5
177.00768	26.0
181.02863	27.1
182.01360	7.7
191.02412	11.7
193.02954	8.0
200.02296	56.0
214.03868	51.4
219.01732	15.3
223.03897	11.8
226.00348	10.1
237.02774	11.1
242.03471	16.9
244.99628	9.5
260.04391	10.8
283.06140	11.0
355.14316	43.8
373.15500	16.2
396.16910	24.3
397.15341	100.0
415.16394	24.4
441.14185	56.9
712.53857	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	707.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10326	0.9
53.45045	0.8
64.45919	0.8
101.00864	1.8
109.02816	1.3
119.01913	8.4
124.02473	2.9
130.49261	1.0
131.01872	1.6
133.36270	1.0
135.52873	1.1
136.02660	1.2
142.03513	7.2
143.01889	13.3
145.03477	3.4
154.03484	2.1
155.01852	9.1
157.03468	2.0
160.04608	1.5
161.02980	9.5
162.61418	1.1
165.05106	4.0
167.01891	5.8
168.05054	3.6
169.03490	2.3
171.05011	1.5
173.02946	5.6
177.05183	1.5
178.03461	1.9
179.01869	1.4
180.05077	2.2
184.04535	16.6
185.02937	20.7
185.04529	1.6
187.04544	2.6
194.06685	1.4
196.04555	11.0
197.02962	10.1
203.04066	3.8
208.04541	22.1
208.06398	1.6
215.04057	3.8
220.04553	8.1
226.05623	4.3
227.03970	7.2
238.05605	5.0
245.05035	100.0
246.05238	3.4
255.75082	1.2
257.05115	4.3
263.06192	4.2
268.06638	2.0
275.06104	7.9
286.07715	15.3
298.07745	1.7
305.07184	10.3
316.08694	3.9
335.08194	4.5
365.09277	24.2
383.10190	2.0
406.02554	1.0
406.11908	8.0
425.11322	36.4
426.11908	1.4
437.11160	2.4
455.12393	1.8
485.13135	1.5
506.19022	1.2
693.20801	1.3
707.18256	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	707.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77634	2.7
60.83474	2.4
70.06572	3.2
76.83107	2.6
86.09716	4.3
127.03276	3.3
127.75121	3.1
136.90405	2.7
137.05966	3.5
159.04149	3.8
173.14474	3.2
176.18887	2.8
184.72427	2.9
409.07297	4.0
541.95477	3.3
545.20135	7.7
686.59454	3.5
707.25055	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51801	0.8
67.38304	0.8
72.56486	1.0
74.80422	0.9
82.68620	1.0
85.02897	1.4
91.71044	1.6
105.14386	0.9
186.61324	1.2
263.16791	1.0
267.41818	1.1
269.15710	1.0
271.36877	1.0
364.41306	1.1
365.12045	100.0
366.12549	1.8
438.73853	1.1
463.71567	1.3
660.69897	1.3
670.62756	1.2
722.43402	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	707.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53442	7.4
64.70923	8.0
70.36243	8.0
74.68493	8.5
75.54580	8.2
86.32486	9.6
103.30054	9.1
105.64941	9.8
120.77176	9.4
122.61727	9.6
197.94469	9.9
255.09923	12.6
323.21136	10.5
618.69708	12.7
707.47461	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60217	1.2
59.04993	100.0
73.02907	5.4
73.04772	2.6
73.06543	1.5
87.04457	2.4
88.50041	1.3
89.06025	4.6
91.05791	8.4
91.71627	1.7
100.07658	3.2
103.07573	55.5
114.07365	13.4
115.07538	1.8
117.09170	2.2
118.03152	2.1
133.08629	1.9
147.04721	4.8
147.10156	18.3
159.10175	2.2
192.04535	1.5
207.08565	2.2
218.41005	1.5
221.08437	2.0
235.35034	1.7
239.09480	15.2
248.28816	1.5
250.86874	1.4
251.11240	2.2
263.11395	2.1
443.39114	1.7
708.42151	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	708.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23935	2.7
55.05499	16.9
55.70284	3.3
57.07069	6.5
59.20215	2.8
67.05503	18.8
67.05795	2.8
67.51446	3.0
69.07051	14.9
71.08625	3.1
76.89787	3.8
81.07054	19.3
81.72441	4.1
83.08618	5.8
91.71643	7.2
95.08590	12.6
109.10158	4.4
111.40836	3.6
139.19836	3.7
145.06520	5.6
206.87491	4.8
239.07082	4.6
265.08710	6.8
277.08582	6.6
289.08517	6.2
378.08780	4.5
459.25494	7.4
587.47931	6.9
637.45709	15.9
655.47314	100.0
656.47260	5.7
673.47980	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	709.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71865	1.2
54.08247	1.2
56.59638	1.3
56.73131	1.4
56.77345	1.2
64.89175	1.2
65.35098	1.5
70.06612	1.4
113.05288	1.7
121.14025	1.4
159.04176	21.6
166.25058	1.7
185.04282	2.9
278.06342	1.7
373.05685	1.8
385.16403	4.0
439.32703	1.9
547.21356	18.5
690.61328	2.4
694.52496	2.4
709.26758	100.0
710.27557	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	709.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	10.2
69.78596	1.1
75.83924	1.2
94.04237	1.8
98.97574	31.6
116.98621	28.8
122.03642	2.8
134.99672	17.3
137.05972	46.8
140.00191	31.0
144.27167	1.5
152.80515	1.4
153.00679	2.3
158.01251	24.1
176.02274	2.3
180.44174	1.1
181.02847	23.3
199.03902	2.2
220.00475	1.9
226.11140	5.8
235.02739	25.9
238.01485	2.5
244.12189	2.4
249.12813	5.1
249.56508	1.7
253.03807	28.5
265.12299	1.8
267.13785	9.2
268.12048	1.7
276.05405	75.4
277.05978	2.4
294.06491	1.9
309.14658	2.1
329.13147	1.6
337.95932	1.5
344.15448	2.3
361.51935	1.6
404.17413	100.0
445.20374	8.8
587.94666	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	709.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05522	2.7
75.69929	2.3
76.98037	2.4
79.62778	2.3
91.05499	2.8
104.32300	2.6
126.77542	2.5
135.09604	2.8
153.55840	2.8
302.49200	3.1
329.73706	3.6
439.66882	3.1
709.42902	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83931	3.3
93.07024	4.0
125.01392	4.0
142.31062	4.3
153.00716	3.8
218.27908	4.5
256.63373	4.5
302.71661	4.1
431.24591	4.9
709.42731	100.0
721.19592	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	709.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24960	2.6
67.05502	3.1
77.92076	2.8
81.06587	2.7
81.07052	5.3
95.08609	4.7
117.25539	2.8
158.90012	3.1
171.05943	2.8
243.48865	3.3
307.31415	3.2
430.95279	3.5
467.37903	3.6
709.42767	100.0
710.42780	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	709.463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19737	15.2
55.05489	17.2
57.03413	19.9
67.05497	92.3
67.48933	16.2
68.37253	14.2
69.07066	33.3
79.05484	43.2
81.07042	75.0
91.05473	48.3
93.07027	32.5
94.90905	14.8
95.08607	48.4
105.07037	27.5
107.08563	27.4
117.07034	20.7
119.08590	33.3
145.10246	19.5
147.04436	33.7
147.11705	25.4
155.08598	19.3
160.43071	18.7
169.05301	16.0
171.11745	19.1
183.11543	19.6
189.00809	18.1
211.11211	20.4
284.76443	18.4
308.55600	18.5
339.19516	25.3
352.32428	18.5
545.44006	38.8
596.58630	21.8
635.28973	21.3
709.47998	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13356	3.4
55.01891	3.4
58.17383	3.2
65.74033	3.6
67.05512	11.6
71.08645	3.1
73.19355	3.7
79.05502	9.6
79.68159	4.1
81.07073	13.6
87.10532	3.2
91.05501	7.2
91.71635	8.9
93.07064	16.2
95.08623	9.8
95.87601	3.8
103.40421	3.7
105.07047	4.7
107.08616	9.1
121.10191	6.3
179.14391	7.7
198.94907	4.6
277.21667	7.0
342.79840	4.8
458.91379	4.6
545.41827	13.8
611.46490	8.7
625.90179	5.5
653.02271	6.3
709.46259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
66.63274	2.7
67.05480	3.8
73.02267	2.9
81.07002	3.1
84.68379	2.9
86.23864	3.5
87.65305	2.8
88.84392	3.3
91.05479	3.1
92.86493	2.7
115.48776	2.7
116.49872	3.6
156.18108	3.0
165.75578	3.1
173.66248	4.0
187.03847	3.3
200.30284	3.1
205.65988	3.1
206.24054	3.5
217.47882	3.5
260.11230	4.5
303.37262	3.7
343.36478	3.4
437.07874	4.2
545.41577	11.4
709.34955	6.4
709.46460	100.0
710.46216	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	709.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87144	2.9
67.05483	9.7
68.69582	3.2
72.46435	3.4
72.79649	3.3
79.05477	4.6
81.07049	7.3
91.05494	4.6
92.56188	4.2
93.07039	10.2
95.08588	8.2
104.60579	3.6
107.08575	3.9
119.08583	4.4
121.10103	4.3
136.80858	3.8
179.14354	5.3
245.31313	4.0
326.69263	4.3
351.79214	5.0
399.53186	4.4
407.30283	3.9
545.41113	6.2
579.71588	4.9
709.46344	100.0
710.46826	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	710.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63675	4.9
55.05484	15.9
56.42840	5.9
57.03430	8.1
57.07044	5.7
61.02914	17.5
67.05503	38.3
69.07063	17.2
79.05487	33.3
80.02893	5.8
81.07053	41.9
83.08605	11.6
85.02891	23.8
86.09709	6.2
90.33707	6.3
91.03947	10.5
91.05473	29.2
93.07035	65.0
95.08608	33.7
97.02901	10.2
105.07023	53.0
107.08588	43.7
108.68436	6.7
109.10162	18.3
115.64620	6.1
117.07015	18.9
117.84750	6.5
119.08575	39.5
121.09341	7.8
121.10119	36.2
129.06995	7.7
131.08562	15.7
133.10098	43.6
135.11716	20.6
143.08623	11.7
145.05006	9.9
145.10123	16.3
147.11679	31.0
149.13257	23.3
157.10072	9.2
159.11713	12.6
161.13297	17.5
163.06033	9.7
163.14763	7.2
171.11629	9.7
175.14838	14.5
185.13286	9.4
187.10693	6.3
210.15848	7.0
215.65298	6.6
241.19562	26.5
259.20593	57.1
333.24188	11.1
333.99518	8.4
334.51172	7.3
343.74469	6.6
351.25293	100.0
382.58447	7.9
399.31192	8.1
405.26636	7.7
427.86118	8.0
460.93640	7.0
506.69989	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	710.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	11.0
57.03411	15.3
60.04480	8.0
65.04383	7.2
66.18638	8.1
67.05494	52.3
69.07056	10.9
73.05315	9.4
79.05480	39.1
81.03418	11.7
81.07042	47.5
83.04979	13.2
83.08601	14.3
84.35997	8.6
86.09685	13.9
91.05471	100.0
93.07037	30.0
95.04962	12.8
95.08007	8.6
95.08605	24.9
102.65437	8.0
105.07016	44.3
109.10164	14.0
117.07021	12.3
119.08567	21.7
121.10130	9.9
133.10152	50.0
134.58369	9.4
135.08037	10.6
136.06111	9.0
136.49905	8.7
143.15141	8.5
147.04436	16.9
154.77605	8.2
161.09628	15.9
179.10728	18.3
203.46265	9.8
253.14299	80.1
261.22134	10.1
325.19626	10.5
335.25861	27.8
357.21127	9.6
513.35699	12.9
710.43842	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	711.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.5
60.52976	4.2
67.05502	5.2
72.27451	3.9
73.51295	4.0
75.24680	4.9
81.07050	6.5
84.59592	3.8
93.07028	8.3
95.08572	5.3
142.42287	4.9
145.61667	4.4
147.04395	7.3
147.92012	4.4
204.91724	4.8
236.66634	4.0
263.22632	5.6
276.06897	4.7
287.05652	11.9
288.05908	9.6
312.58185	4.6
410.24796	5.8
582.21240	5.2
606.97174	5.7
711.44202	100.0
712.43958	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	711.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01443	1.3
55.05502	2.9
56.00222	1.4
69.07075	3.6
72.04514	1.9
72.08149	29.4
76.02232	1.5
81.07027	2.7
86.09699	100.0
87.02750	1.5
96.62492	1.5
98.09688	7.1
104.01714	1.9
112.11253	5.7
113.04183	1.9
121.04063	1.6
154.15848	3.9
156.08434	6.9
156.60828	1.8
157.06866	3.1
157.13379	13.1
158.06378	3.1
168.22588	1.7
174.09483	4.5
183.11278	1.9
185.12831	9.2
185.16461	2.2
186.23146	1.9
211.18115	1.9
213.15991	3.5
225.19670	2.3
234.90521	1.9
254.15164	3.3
255.15253	14.5
269.16779	4.7
282.18170	3.1
283.14795	11.6
298.21497	3.8
353.21942	4.3
371.20944	1.9
387.20605	2.9
396.23105	4.4
466.30414	5.0
467.26886	5.9
482.23267	2.0
500.29080	11.1
522.24481	2.1
568.35419	2.1
585.37982	2.5
599.72900	2.4
613.37561	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	711.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.5
58.10494	1.3
69.07067	1.9
70.66237	1.7
72.08142	29.5
76.02224	2.4
78.95615	1.5
81.07048	3.1
83.34156	1.5
86.00659	2.8
86.09696	100.0
91.70963	1.6
98.09703	9.2
106.60910	1.6
107.40992	1.5
108.40972	2.0
112.11245	3.6
140.14331	1.8
144.08382	1.7
150.59203	1.8
154.15794	3.1
156.08392	9.7
157.06801	5.1
157.13336	9.8
158.06349	2.6
174.09503	2.6
178.77872	1.8
185.12825	9.9
185.16458	2.2
185.30386	1.7
199.18016	3.8
213.16043	2.8
217.10081	2.0
255.15250	14.9
269.16849	3.0
282.18173	3.2
283.14600	11.5
284.19772	2.1
298.21259	3.7
353.21869	2.6
387.20438	3.3
396.23138	7.0
466.30136	3.0
467.26581	8.6
500.28952	13.6
580.35150	2.8
585.37976	2.1
613.37506	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	711.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75322	4.6
55.18126	4.3
62.80270	4.3
64.49649	3.9
65.89445	4.5
67.05508	7.4
91.71676	10.9
107.65562	5.2
158.03030	5.4
159.42458	5.0
225.47142	5.2
264.04056	6.5
267.83832	5.7
283.93408	5.9
308.03052	7.5
321.03653	26.2
367.82813	6.2
377.09842	7.4
459.24988	14.5
477.55692	7.1
502.23264	52.5
503.24072	57.6
667.46783	15.7
711.45972	100.0
741.44922	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	711.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52133	5.1
59.61693	5.0
72.17474	5.6
74.75224	5.3
77.51174	5.7
91.71070	7.9
110.68778	6.4
119.72391	5.8
149.84715	6.5
191.64543	6.5
264.03857	9.2
321.03644	21.9
459.24863	18.5
502.23425	35.7
503.24039	65.9
626.09705	9.3
667.46918	17.9
711.45984	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.0
63.95348	4.7
81.07078	7.3
83.08668	5.5
91.71764	10.1
92.64883	5.0
95.08677	6.0
112.15726	5.2
130.95409	5.5
308.02948	7.5
311.32886	5.8
321.03766	22.7
449.65378	6.7
459.25104	13.7
502.23071	38.2
503.24033	56.9
667.46851	19.0
711.45233	100.0
735.22748	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	711.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84972	5.5
50.97739	5.3
51.72568	5.0
51.89184	5.8
55.05505	6.9
57.05727	5.1
58.16538	7.0
67.05492	9.1
92.08898	7.6
95.05020	8.4
95.08553	7.0
97.80841	6.3
139.34485	7.7
142.39388	6.8
151.81113	6.5
389.78104	11.2
711.49951	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26265	2.6
55.76850	2.3
63.72997	2.6
64.10525	2.5
80.02647	2.9
89.41486	2.9
91.05489	6.6
122.03618	4.1
122.05108	3.0
129.06949	4.6
131.43076	3.0
131.78943	3.5
134.18466	3.2
136.86533	3.1
137.05980	34.6
137.97206	2.9
141.07045	2.8
144.05678	3.7
159.08028	7.9
175.07486	4.0
187.07480	6.1
188.08310	3.7
189.09134	5.6
201.09143	4.1
261.09052	3.5
273.08759	3.9
285.12692	4.4
291.10068	5.8
299.10577	4.3
309.11337	4.5
314.09116	4.4
315.09985	4.4
329.11612	7.2
343.13364	6.3
389.13821	4.4
408.02121	3.4
421.16263	8.5
433.16193	8.3
451.17508	28.6
487.10556	4.3
493.18506	11.2
511.19601	100.0
511.27185	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	2.0
53.03937	2.2
55.01864	1.7
55.05508	13.4
57.03436	13.7
61.02896	1.9
64.04583	1.5
64.55260	1.7
65.03915	2.3
67.05495	50.2
69.03406	2.2
69.07041	12.8
79.05487	40.1
81.07046	45.6
83.04953	3.9
83.08601	8.7
85.02877	1.9
87.72133	1.9
91.04906	2.8
91.05454	19.3
91.71078	3.9
93.07028	55.2
95.04957	9.0
95.08595	47.3
95.09036	1.2
97.02879	2.2
97.06539	3.7
99.04426	2.3
105.07050	13.0
107.04949	4.9
107.08579	34.1
109.06478	3.0
109.10149	9.4
117.07024	9.2
119.08558	12.5
121.06539	4.3
121.10139	26.1
125.06031	3.6
130.07751	2.5
131.08574	5.8
133.10144	6.3
135.11681	44.4
139.07550	3.7
145.10104	29.6
147.11627	2.1
149.13310	3.2
159.11697	2.8
163.11172	45.4
173.13261	4.1
181.12253	8.0
215.17955	4.7
227.12759	46.1
233.18996	8.5
283.15378	44.7
307.22626	100.0
515.33630	59.2
629.85938	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	712.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13167	1.7
52.35670	1.9
55.01874	7.5
55.05507	13.6
57.03436	13.9
57.07089	2.4
61.02914	1.9
65.03924	2.8
67.05495	54.9
67.05831	4.0
69.03434	4.3
69.07081	8.1
69.45479	2.0
71.05006	6.0
76.85423	1.9
79.05485	39.9
81.03440	3.7
81.07047	54.5
83.01368	2.3
83.05003	3.3
83.08617	5.3
85.02905	3.1
85.06559	2.3
85.99562	2.1
91.05476	31.0
91.05964	2.8
93.07034	46.2
95.04987	4.7
95.08598	33.0
97.02914	9.5
97.10194	2.8
99.00818	2.8
99.04437	17.9
105.07004	10.8
107.04958	19.1
107.08583	64.8
107.09245	4.5
109.10141	17.7
111.04453	3.3
115.05467	3.5
117.07014	42.8
117.07796	3.1
119.08611	8.4
121.06503	13.5
121.10155	17.6
123.11743	3.7
125.09663	5.1
131.08623	4.9
133.10109	5.0
134.75583	2.7
135.08047	78.1
135.11757	8.0
145.06525	9.9
145.10135	2.9
147.11726	3.5
149.13327	4.3
152.67558	2.3
153.09164	8.8
159.11720	4.8
163.07539	62.2
163.14819	3.4
173.13197	4.3
181.08562	15.6
197.32971	2.4
199.09641	76.5
202.62669	2.3
243.21182	8.0
255.12234	100.0
261.22180	21.7
300.63916	2.4
312.33612	2.5
317.25012	3.2
335.25769	65.4
432.48291	2.7
471.35672	2.7
515.33551	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	712.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	19.5
56.97225	2.0
57.03421	5.7
57.07062	3.1
65.03916	3.9
67.05493	84.9
69.06731	2.4
69.07060	23.1
69.30531	2.0
71.04962	4.2
79.05027	2.6
79.05488	44.3
81.07047	100.0
81.91302	2.3
83.08609	19.5
91.05465	53.1
93.07031	70.9
94.06536	2.7
95.04943	10.0
95.08594	71.0
97.06515	7.4
97.10159	7.9
105.07023	37.1
107.08571	34.2
109.06493	3.7
109.10157	26.3
111.08105	3.3
117.07024	16.0
119.08577	30.0
121.10133	55.3
123.11691	6.4
128.36671	2.4
129.06995	5.1
131.08569	33.2
133.10135	31.4
135.08026	2.8
135.11682	27.6
137.09644	2.7
137.13200	2.6
143.08606	7.3
145.10120	36.3
147.11673	16.4
149.13261	8.9
153.77869	2.3
155.08635	2.8
157.10118	6.6
157.12106	2.8
159.11656	12.6
161.13216	9.7
169.10135	5.3
171.11707	7.8
172.61086	2.4
173.13260	7.3
175.14796	6.0
185.13245	8.2
187.14748	5.2
263.20013	3.0
274.15979	2.5
277.21411	3.4
278.24777	6.0
279.13406	2.9
465.37015	8.3
483.38138	5.1
501.39484	4.5
504.23105	2.8
557.42004	65.1
575.42999	22.9
617.44116	73.8
629.67908	3.1
635.44995	8.5
677.45831	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	712.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68367	6.6
50.71003	6.5
55.05500	19.2
67.05493	83.5
69.07056	19.4
79.05488	39.4
81.07052	100.0
83.08624	11.1
91.05469	35.9
93.07043	76.6
93.43270	9.0
95.04954	9.7
95.08605	73.6
99.08067	8.1
105.07031	35.9
107.08591	40.8
109.10139	28.9
117.06965	11.5
119.08577	28.6
121.10150	48.9
129.06973	9.4
131.08560	19.2
132.68150	8.4
133.10158	17.8
135.11707	23.7
143.08606	13.7
145.10123	27.3
147.11688	10.6
160.12386	9.2
169.10068	9.1
265.69382	9.7
344.65872	10.0
445.52161	10.6
540.79053	11.7
557.41907	76.3
581.94159	11.7
617.44031	83.3
677.46161	14.0
712.47577	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	712.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
55.05498	0.7
56.05020	0.9
57.07064	1.4
58.06592	16.1
59.07374	9.9
60.04504	0.6
65.03911	0.3
67.04256	0.3
67.05496	4.1
68.05016	0.4
69.03421	0.6
69.07047	2.2
70.06553	0.5
71.08614	1.0
72.08143	0.4
79.05479	3.0
80.05002	1.2
81.03409	0.3
81.05804	0.3
81.07047	4.2
82.06568	2.2
83.08607	1.2
85.02880	0.8
91.05471	5.8
92.08636	0.3
93.05750	0.3
93.07030	3.7
94.06560	8.2
94.07156	0.5
95.04945	0.7
95.07340	1.5
95.08593	3.1
96.08118	1.0
97.10146	0.5
105.07028	4.1
106.06540	1.6
107.07377	0.3
107.08593	1.5
108.08114	3.4
109.06521	0.3
109.10144	0.8
117.07030	2.5
118.06510	0.3
118.08662	0.7
119.08578	3.2
120.08083	1.1
121.10143	1.1
122.09653	1.9
123.11653	0.3
131.08571	2.8
132.10194	100.0
133.08861	0.8
133.10150	1.8
134.09633	2.2
135.11679	0.8
145.10101	1.4
146.09605	0.4
147.10410	0.8
147.11621	0.6
148.11211	1.5
149.13289	0.4
151.14845	0.3
159.11655	0.7
161.13239	0.4
162.12563	0.3
187.14835	0.3
201.16437	0.5
203.17929	0.4
215.18155	0.3
231.21031	2.4
243.21031	2.8
248.23692	2.5
260.23715	24.4
261.24332	0.5
272.25830	0.8
273.12061	0.3
278.24805	2.0
502.45944	0.8
514.46222	2.2
516.47644	1.1
532.47217	5.0
694.52393	1.1
712.58881	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.5869
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	17.5
59.07373	10.9
65.41212	0.3
68.92001	0.4
87.20706	0.3
97.13005	0.4
129.37802	0.4
132.10190	100.0
133.10522	0.5
140.72000	0.4
146.11739	0.6
237.54628	0.5
242.68726	0.4
242.71840	0.4
380.42050	0.4
403.49445	0.4
511.26791	0.6
554.58728	0.5
694.00635	0.4
712.57776	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22308	3.6
82.88091	3.7
91.71678	8.0
97.73892	3.4
114.68778	4.2
116.00266	3.8
197.68069	4.1
216.27068	4.1
250.55214	4.0
288.14600	3.8
389.22958	4.5
551.28406	25.7
563.04150	4.5
686.50739	5.0
713.33398	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99816	2.0
54.59418	2.3
73.79945	2.4
75.72541	2.3
91.71680	6.2
146.54231	2.8
647.85529	3.2
695.34851	5.6
695.46405	100.0
713.46735	11.5
739.16345	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	713.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66472	2.0
53.31917	1.9
55.05507	16.2
57.07069	5.3
62.91469	1.7
67.05495	59.2
69.07053	18.0
69.76569	1.8
79.05506	11.6
79.05888	1.9
81.07047	70.7
83.08613	16.6
91.05475	18.0
93.07038	19.6
95.05022	2.8
95.08598	58.7
97.06532	5.7
97.10172	11.2
105.07030	4.7
107.04969	3.0
107.08587	11.3
109.10147	30.0
111.08085	2.8
111.11676	2.9
119.04945	20.0
119.08586	5.3
121.10138	18.6
123.04392	4.1
123.11706	15.2
131.08562	4.6
133.10112	9.7
135.11679	13.3
137.13223	4.9
145.10149	3.0
147.04402	100.0
149.13245	5.0
151.11162	5.6
155.10580	2.5
165.05487	4.7
215.17938	8.8
217.19658	2.3
233.19026	4.2
235.20518	3.5
251.19991	12.3
279.78378	2.5
335.22711	3.4
471.42078	6.3
639.61078	2.5
682.25830	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	4.5
55.05513	26.7
55.63324	3.7
57.03429	9.8
57.07048	5.5
60.04232	7.2
60.04519	84.1
62.66488	3.8
67.05496	100.0
69.07065	32.1
70.06575	27.2
71.04962	6.8
78.75140	4.6
79.05476	42.4
81.07047	99.9
83.04969	7.9
83.08600	21.0
83.63404	5.4
91.05470	39.0
93.07036	63.1
95.04955	10.9
95.08598	99.1
97.06528	5.8
97.10174	9.0
105.07032	21.0
107.04898	5.3
107.08589	33.7
107.73066	5.3
109.10154	21.8
112.72590	4.6
117.07057	7.7
119.04934	17.5
119.08582	21.1
121.06506	5.8
121.10141	24.8
123.11671	6.1
133.10121	7.1
135.11702	38.7
137.09602	11.2
145.10126	17.6
147.04378	69.8
149.09659	5.7
163.11180	28.9
165.05429	8.9
181.12312	5.6
209.06119	5.1
227.12741	29.0
239.12753	9.5
257.13803	8.6
283.15393	35.6
309.24194	66.5
317.24228	5.3
335.25729	11.1
370.13031	5.7
514.46033	16.6
517.35205	44.7
532.47198	15.6
550.48151	31.4
696.51422	10.6
713.69965	5.6
714.53491	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88111	1.4
53.00290	1.9
55.05502	10.7
56.05037	8.0
56.94230	1.9
57.07073	5.0
58.02954	1.9
58.06598	1.7
60.04527	3.6
67.05504	20.9
68.55775	1.7
69.03463	1.6
69.07059	10.5
70.06583	3.3
71.02219	1.6
79.05492	10.3
80.05029	3.6
81.05822	2.5
81.07047	16.2
82.06596	8.4
83.08640	7.0
85.02920	3.0
91.05481	13.3
93.07034	14.2
94.06559	33.7
95.05018	2.4
95.07340	9.9
95.08602	13.4
96.08146	8.7
97.10194	3.9
105.07081	6.7
107.08624	8.1
108.08169	4.8
109.10190	5.6
119.08619	8.3
121.10199	8.5
122.09724	3.0
133.10158	4.8
135.11740	6.3
167.81310	2.3
233.22708	2.7
245.22769	7.1
250.25407	5.4
262.22440	4.6
262.25272	100.0
263.25647	2.3
268.84714	2.1
272.25824	2.9
280.26483	4.8
504.47821	6.0
516.47791	27.0
518.49371	8.2
534.48932	12.9
696.54358	3.8
710.84906	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	714.5511
Annotation	Pinelloside
Peak:m/z	Relative Intensity
51.65519	1.4
55.05494	6.9
56.05033	4.7
57.07063	4.9
58.06584	1.8
60.04515	4.4
62.26647	1.5
66.21542	1.8
67.05499	17.9
68.05013	1.8
68.62659	1.6
69.03424	2.0
69.07056	13.4
70.06588	3.5
71.08633	2.0
73.58411	1.5
79.05473	8.1
80.04988	3.9
81.05799	2.0
81.07044	17.1
82.06586	11.1
83.08605	5.7
85.02901	2.4
91.05477	13.6
93.07036	11.5
93.86940	2.0
94.06548	23.7
95.04977	3.0
95.07348	12.7
95.08601	13.1
96.08109	6.3
97.10163	4.3
105.00655	1.8
105.07030	8.1
107.08594	6.0
108.08096	3.5
109.10147	4.4
119.08595	6.8
121.10168	5.6
133.10100	3.6
135.11729	3.9
149.13239	2.1
233.22559	3.9
245.22620	7.1
250.25322	9.8
262.25278	100.0
272.25897	3.3
280.26395	7.2
350.17398	2.3
413.39401	2.5
504.47482	4.9
509.24301	2.3
516.47699	24.2
518.49353	4.9
534.48926	17.9
622.31030	2.3
696.54028	4.3
727.21906	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	715.2746
Annotation	9,9'-O-di-(E)-feruloyl-(-)-secoisolariciresinol
Peak:m/z	Relative Intensity
54.87430	2.3
55.01846	2.2
60.13154	2.1
67.98806	2.6
81.03445	6.7
91.05511	3.8
92.92962	2.6
115.05451	3.8
122.03658	5.6
129.07037	4.8
131.04961	3.0
137.05969	100.0
137.12422	2.9
143.04971	3.7
157.06522	6.3
160.05249	5.9
161.05969	3.1
163.07646	4.2
175.07513	36.2
175.08937	3.8
177.09552	2.8
187.07539	19.0
189.09091	5.0
191.56729	2.8
205.08662	6.6
217.08662	5.3
218.56386	2.9
241.08551	2.8
255.61943	2.9
413.15149	3.0
502.64407	3.1
631.93610	3.7
640.16412	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11085	2.0
57.24263	2.3
64.25206	2.9
74.93024	2.3
81.62784	2.8
88.09407	2.6
157.14835	2.8
185.04242	3.6
203.05247	3.1
223.84975	2.9
230.35686	3.0
259.07803	3.8
331.10059	3.5
347.09570	4.0
365.10577	4.6
493.15652	6.4
532.60358	3.2
553.29614	15.1
569.98596	3.1
715.35114	100.0
716.34418	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04510	14.7
65.56401	3.5
67.05490	17.5
69.03426	5.2
79.05469	8.5
81.07046	17.3
85.02876	6.2
91.05469	12.3
93.07043	8.8
93.44570	3.7
93.83362	4.0
95.08607	15.2
97.02847	6.1
105.07053	6.1
119.08575	4.7
121.10126	3.9
133.10112	5.9
134.47192	4.2
147.04393	13.2
313.97174	5.4
381.79019	4.2
433.26773	4.5
437.17639	5.7
463.88010	5.2
493.02792	6.2
551.47931	5.3
627.16260	5.7
715.40106	100.0
715.52600	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19170	0.3
55.01850	1.9
57.09243	0.4
60.16595	0.4
68.64079	0.4
69.03419	0.8
70.06574	1.3
73.19657	0.4
79.94279	0.4
85.02911	4.8
86.09682	0.9
93.27695	0.4
94.80093	0.4
95.04993	0.5
97.02889	1.2
101.40995	0.4
103.05458	28.9
107.60777	0.6
111.04419	0.6
117.06989	0.7
125.05984	1.0
127.03952	0.6
131.04918	100.0
132.05289	0.6
137.05983	4.1
145.06445	1.1
153.05414	3.6
163.07524	49.6
164.07928	0.5
172.07689	0.5
177.09145	0.8
191.07025	1.7
203.07002	4.2
205.08568	1.4
215.32689	0.5
221.08015	0.6
233.08072	1.1
277.08075	0.5
362.91733	0.6
450.00134	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	5.3
57.07046	7.6
58.45156	3.1
67.05495	24.7
68.23067	3.8
71.08587	3.9
72.08134	4.1
81.07055	7.4
89.06019	16.2
93.07031	5.8
95.04974	5.9
95.08587	20.5
105.07021	15.0
108.05737	16.3
118.66321	4.7
119.24597	4.4
123.08055	6.4
130.08578	4.0
133.08557	6.2
135.12720	4.2
149.09503	5.7
151.07524	100.0
237.91631	4.5
257.11658	6.2
273.11328	4.9
445.19775	6.7
488.17511	4.8
501.75183	5.2
554.40155	4.9
604.19128	4.8
689.30670	17.4
717.30658	20.8
717.46289	13.7
742.58710	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	717.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84410	1.2
55.05492	2.4
56.16126	1.3
57.03432	2.2
61.02908	6.8
61.56498	1.4
63.66019	1.3
64.83536	1.2
65.98946	1.2
67.05494	8.3
69.03415	5.9
73.02891	3.8
75.53519	1.3
79.05480	4.4
81.03403	2.0
81.07045	8.2
85.02894	7.4
90.51891	1.3
91.03948	4.3
91.05506	4.1
91.71671	1.5
93.07048	6.5
95.08595	4.8
97.02880	6.3
99.04449	2.4
101.02393	3.2
107.04922	3.0
107.08595	6.9
109.10107	1.6
117.07018	2.2
121.10138	1.9
127.03845	1.6
135.08069	5.3
145.54146	1.6
148.73428	1.4
163.07536	2.8
184.13031	1.6
189.21945	1.6
199.09663	4.5
221.07828	9.0
243.08397	4.6
265.84518	1.5
277.10519	2.5
278.47769	1.8
397.12555	1.9
434.59195	1.8
439.15775	10.1
519.29376	5.9
574.38788	1.8
717.38110	100.0
718.38849	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	717.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10711	1.5
55.05503	2.5
57.03421	2.4
57.25855	1.4
61.02910	8.3
67.05501	9.6
69.03419	7.8
69.07047	1.9
73.02906	6.7
77.97260	1.5
79.05484	8.3
81.03444	2.5
81.03891	1.6
81.07059	7.4
84.16866	1.5
85.02912	8.1
91.03952	6.2
91.05468	3.6
91.47384	1.7
91.71053	2.1
93.07064	8.5
95.04922	2.3
95.08601	6.4
97.02888	7.4
101.02372	3.8
105.07049	2.4
107.08574	2.0
116.68393	1.5
118.48114	1.6
121.10124	5.5
127.03941	4.1
135.11714	4.6
140.00664	1.8
163.11198	3.1
243.08522	3.2
249.10893	14.0
260.15521	2.2
305.13876	2.2
413.38110	2.1
417.53333	2.1
467.19156	6.0
491.26236	7.9
679.49298	2.3
717.38068	100.0
718.38690	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	717.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
66.81577	7.2
83.80398	9.2
114.88973	7.9
158.82451	9.6
168.52275	8.7
298.58072	10.9
354.68155	9.0
597.41168	24.9
635.09491	11.5
717.45477	100.0
718.45813	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	717.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	49.8
56.08273	2.4
57.03429	14.8
57.07057	6.9
58.64402	2.7
65.03889	2.6
67.05170	5.1
67.05494	66.1
69.07059	80.6
69.31348	2.2
70.74999	2.7
71.04970	4.3
72.03194	2.6
79.05483	16.3
81.07043	100.0
81.55026	3.1
82.07427	2.8
83.04965	4.2
83.08609	44.8
85.06527	6.3
90.49706	2.6
91.05466	17.1
93.07038	35.8
93.07574	4.4
95.08600	75.9
95.23713	2.8
97.06510	9.4
97.10162	28.8
99.08122	3.4
105.07018	8.3
107.08588	17.4
107.39405	2.8
109.10148	37.9
109.89347	2.5
111.08083	7.1
111.11695	5.6
117.05504	11.5
119.08589	10.5
121.10146	24.9
123.11707	8.0
133.10127	13.7
135.11674	25.2
137.09680	4.4
137.13239	6.0
139.11157	6.2
142.72699	3.1
147.11690	12.2
149.13254	6.8
151.11163	3.8
153.12767	3.9
161.13239	6.2
167.03593	3.0
175.14833	4.7
200.23091	3.1
217.19411	7.3
235.20528	17.2
253.21642	10.8
309.24203	26.9
327.25287	77.4
369.26309	12.9
387.27420	10.4
561.45020	6.6
579.46179	27.0
580.47015	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26577	0.6
51.34362	1.3
55.01865	0.9
61.02910	0.9
63.04965	0.6
64.27016	0.6
65.03926	1.1
65.79722	0.6
69.03431	4.1
71.34294	0.6
72.02591	0.7
76.40190	0.6
79.05475	0.7
81.03416	1.8
81.07029	0.8
85.02896	12.4
91.03924	0.7
91.05498	2.6
94.04194	1.7
95.04999	0.9
97.02886	3.9
103.05459	6.2
107.04968	1.1
109.02873	1.3
109.06480	2.2
111.04448	1.0
115.05431	2.3
117.89847	0.7
119.04971	1.1
122.03651	4.0
125.05962	1.6
127.03912	1.4
128.06245	1.6
129.06985	10.1
131.04930	16.7
137.05975	100.0
138.06351	1.1
143.04965	1.2
143.08672	1.1
144.05682	0.9
145.04977	1.7
145.06448	1.3
147.04420	2.6
149.05925	1.5
151.03900	1.1
151.07516	2.9
153.05475	2.8
157.06493	9.5
160.05215	2.5
161.05971	2.0
163.07515	6.9
165.05479	1.4
171.08063	1.2
172.05208	4.3
174.06786	7.7
175.07538	24.4
177.09047	1.2
179.07045	1.5
183.01733	0.9
187.07536	53.2
189.09103	20.3
191.08577	1.5
198.09247	0.7
199.07587	1.7
201.09052	1.2
203.08525	4.7
205.08582	3.8
211.07343	0.8
217.08589	21.6
219.08136	4.9
219.10056	1.3
220.08795	1.5
221.93269	0.8
231.08031	4.1
233.09435	0.9
235.07437	1.0
235.09659	2.0
247.07500	5.1
248.08296	5.1
251.10628	2.6
259.07379	1.6
260.08359	1.8
261.09180	1.1
263.07751	1.0
263.10605	7.9
264.07849	1.3
265.08572	2.3
268.07266	1.0
270.08807	3.0
271.09741	3.5
276.07779	3.3
277.08450	1.7
279.10175	8.2
280.10693	0.9
281.08105	1.0
283.09683	1.9
291.10123	13.0
292.10809	1.0
293.07944	1.0
296.10385	3.2
308.10324	1.0
311.12747	13.0
323.12750	24.1
325.14291	0.9
329.13684	1.4
341.13824	61.0
342.14285	1.3
359.14813	0.9
412.06058	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94239	1.6
51.83304	1.8
69.03417	9.3
74.57664	1.9
81.48038	2.2
85.02427	3.7
85.02897	38.1
90.48873	1.9
91.05508	2.8
97.02893	7.5
100.02521	2.3
103.05478	11.1
104.14043	2.0
109.06510	2.8
119.04940	2.2
120.89160	2.4
122.03690	3.1
127.03921	9.0
129.06995	8.4
131.04921	16.2
137.05972	100.0
141.15935	2.1
145.04945	7.3
151.07552	3.1
157.06479	4.2
163.07549	7.5
172.05205	3.9
174.06786	3.8
175.07497	18.4
187.07527	49.7
188.08089	2.6
189.09111	20.4
191.08640	2.9
205.08487	3.7
217.08557	22.0
217.87894	2.2
219.07967	3.0
219.94347	2.5
231.08052	5.8
235.09445	3.6
239.28828	2.5
240.09567	2.7
247.07559	6.4
248.08241	2.4
259.07547	4.0
263.10715	5.4
265.08630	3.1
276.07620	2.9
279.10132	7.6
290.95514	2.3
291.10135	17.4
311.12784	8.7
323.12836	20.4
341.09665	3.7
341.13815	71.5
399.84555	2.8
449.66461	2.6
530.24750	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	718.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40950	1.7
53.25088	1.3
57.03413	3.0
60.41005	2.0
61.02930	2.1
69.03418	7.4
71.04982	2.7
71.26006	1.6
77.10030	1.7
81.03415	3.4
85.02896	40.8
89.98460	1.7
91.71071	2.1
95.04980	2.1
97.02879	11.3
103.05470	9.5
106.18699	1.9
109.02902	2.6
122.03624	5.1
127.03883	9.1
128.26978	1.8
129.07016	8.0
131.04922	30.4
137.05971	100.0
141.47600	1.9
145.04961	6.0
151.07581	2.3
156.06805	2.0
157.06502	5.5
160.05183	3.1
163.07550	11.4
171.08202	2.2
172.05147	3.3
174.06773	6.9
175.07506	18.6
187.07535	50.3
188.08127	2.7
189.09067	21.9
199.07568	2.7
203.08545	3.9
205.08798	2.9
217.08559	25.2
219.08041	5.5
220.08699	3.1
231.08105	5.4
235.09613	4.2
236.94327	2.1
247.07556	5.4
248.08194	4.2
249.32536	2.1
263.10730	7.3
265.08743	3.3
276.07776	3.1
279.10233	3.6
291.10156	17.3
292.11041	2.6
293.08090	3.5
296.10593	3.0
311.12714	12.1
323.12793	23.8
325.14276	2.3
341.13788	64.3
341.17734	3.7
351.72226	2.0
363.91394	2.2
410.45779	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	718.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01807	3.8
60.37187	3.9
62.59439	4.0
63.11522	3.8
69.03385	5.7
85.02892	11.5
86.47726	4.9
127.03937	6.3
137.05974	100.0
153.05351	5.1
153.13130	5.1
157.06413	6.5
160.05147	8.7
174.06754	8.7
175.07533	20.9
179.19687	5.7
187.07529	56.0
189.09149	18.0
217.08492	25.2
251.91048	5.0
279.10059	6.7
291.09982	10.2
296.10165	4.8
301.33289	5.2
311.13208	5.8
323.12729	19.6
341.13705	68.1
385.20358	5.0
399.41641	5.4
419.69897	6.1
441.05389	5.0
466.25793	5.0
469.98535	4.7
481.61823	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	718.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78124	3.7
59.89202	3.2
72.08156	5.6
85.02924	17.8
86.09711	7.4
89.79301	3.9
97.02880	7.2
121.21902	4.3
129.07072	7.3
131.04973	5.4
137.05975	100.0
137.06929	7.1
147.04465	5.9
153.05415	5.6
157.06552	6.5
174.06700	5.9
187.07559	8.0
189.02979	4.7
189.09123	26.9
205.08661	7.0
217.08693	19.7
235.09659	45.5
248.08665	5.8
263.10815	6.0
291.10544	8.2
311.12885	11.0
323.12918	20.1
329.13840	8.2
341.14090	13.5
345.34229	4.9
359.14783	5.7
499.56030	5.6
614.31879	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	718.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	3.3
69.03418	12.8
71.53204	2.9
81.03423	4.0
81.36013	3.4
85.02893	40.8
91.03888	3.8
97.02879	12.1
103.05470	6.6
122.03671	6.6
127.03935	8.5
128.14859	3.7
129.06960	8.0
131.04922	12.9
137.05969	100.0
137.06949	7.1
144.31499	3.5
145.04962	11.4
157.06503	7.1
163.07518	8.7
172.05199	9.0
174.06799	11.1
175.07597	19.6
187.07512	57.7
189.09171	15.3
217.08626	22.6
231.08141	10.5
247.07597	5.0
248.08224	5.2
259.07727	4.7
263.10669	4.8
265.08554	5.5
279.10129	5.1
291.10159	14.7
311.12799	10.1
313.92926	4.2
323.12897	27.1
341.13824	81.6
502.11618	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	718.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07868	1.8
70.06564	2.4
73.81141	2.3
81.66299	2.3
83.32616	2.4
91.05466	2.8
91.71043	2.7
98.11473	2.0
98.80626	2.3
103.05435	4.9
111.04431	2.9
122.03637	4.2
125.06005	2.8
128.06186	2.8
129.06995	12.9
131.04939	10.6
137.05980	100.0
151.03903	6.7
153.05447	6.5
157.06483	11.6
160.05203	3.9
163.07523	5.4
171.25284	2.5
172.05232	2.6
174.06750	6.5
174.88536	2.5
175.07547	30.7
187.07533	45.1
189.09062	19.7
196.06358	2.6
203.08540	3.6
205.08528	4.1
217.08551	7.3
231.08078	3.5
263.10678	5.1
279.10107	6.6
291.10184	8.3
308.10352	3.0
311.12918	15.6
323.12784	13.5
341.13791	35.1
342.14175	3.1
357.75558	3.1
544.54895	2.9
591.35144	3.1
601.01691	2.9
610.78119	3.0
734.28522	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	718.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93904	1.0
51.18370	1.0
51.87165	1.3
55.05495	5.3
57.06799	3.2
57.07067	45.1
61.77353	1.3
66.29031	1.7
69.07064	3.2
71.08615	30.0
71.41999	1.7
73.06525	8.4
73.43822	1.4
79.05212	1.4
83.08595	2.1
85.10178	25.2
87.04456	13.1
89.06020	100.0
97.10161	4.0
99.11710	3.6
114.09171	3.1
117.09119	10.3
130.08623	23.7
131.07008	3.6
133.08598	57.5
155.17961	3.6
161.11716	3.4
167.19380	1.5
175.09625	3.2
177.11205	20.1
221.13841	2.1
240.23207	5.2
243.23184	5.9
266.14883	1.9
287.25891	4.0
429.25906	2.1
479.70248	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	720.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97108	4.4
64.60265	4.7
69.07064	4.3
79.05511	15.7
81.07045	10.9
91.05511	9.6
93.07040	7.9
95.08632	8.1
102.33448	4.7
109.46416	4.6
109.90106	4.9
133.66371	5.4
137.05992	10.1
149.09755	6.2
158.55429	6.0
169.31538	5.6
190.41287	4.7
199.18362	4.9
219.44321	5.2
247.13237	100.0
247.15526	7.3
270.17706	5.3
279.40921	5.3
411.27798	6.2
412.47394	6.4
630.36346	6.2
741.75647	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	720.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46365	7.3
55.05509	49.0
57.03421	17.1
57.07063	37.9
60.63261	5.1
67.05499	66.1
69.07063	81.5
71.08627	21.7
73.60642	5.4
78.70129	5.1
79.05486	22.3
79.24671	5.9
81.07053	98.1
83.08615	73.2
85.10177	11.2
91.05462	8.9
93.07044	44.3
95.08598	68.1
97.06520	27.1
97.10171	39.2
104.21721	6.1
107.08589	36.1
109.10155	40.6
111.08075	12.4
111.11716	9.0
115.07612	7.6
121.10139	51.1
121.55208	8.1
123.11718	23.2
125.09645	12.3
126.81200	6.3
133.10149	16.1
135.11697	34.3
139.11194	8.6
149.13274	23.0
153.12791	15.7
163.14844	12.1
167.14308	10.2
173.13329	6.8
205.16293	5.9
205.19554	25.9
223.20503	13.0
225.33325	6.6
230.48035	6.6
255.77371	7.9
278.41434	6.6
287.22165	47.1
325.23718	100.0
343.24698	98.1
370.85059	7.6
378.82440	7.5
399.27380	12.0
417.28470	33.2
479.87225	8.2
593.43732	10.7
667.48145	14.3
685.48303	40.0
734.24707	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	721.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10356	19.4
65.41708	17.5
65.66685	19.2
70.43378	21.5
77.44631	20.2
78.99564	20.5
81.52960	19.4
146.49666	27.4
257.78500	24.0
336.88593	28.6
721.20514	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46485	1.6
76.38483	2.0
82.51809	2.2
91.05433	2.5
91.71062	3.8
93.07053	5.0
123.93435	2.3
129.06981	3.7
131.04956	3.5
131.08591	5.9
137.05959	2.6
140.36603	2.1
141.07028	5.8
157.06485	5.3
158.07207	2.3
159.08073	6.7
169.06427	3.0
174.06815	15.8
186.06708	2.8
189.09079	29.1
201.09081	9.0
201.10991	2.2
202.76988	2.4
219.08005	4.7
219.10144	100.0
259.74023	2.5
302.15268	2.5
364.43857	2.5
418.68152	3.3
491.36871	3.2
618.37970	2.8
623.48535	3.0
727.74121	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07058	37.9
57.98248	8.3
61.93829	7.3
66.25697	8.6
70.33022	8.3
72.97482	7.6
75.16839	7.4
91.05456	10.6
91.15795	8.2
93.07019	11.6
121.06506	23.4
123.04239	11.8
125.38168	8.2
131.08632	12.3
135.04350	9.0
145.06497	45.5
145.36356	9.0
145.79153	9.1
159.08058	29.9
161.05971	10.5
172.08826	13.9
173.09654	16.7
187.07501	10.6
196.08749	13.8
201.12712	25.1
203.67955	10.5
229.12218	100.0
245.38226	8.6
323.12857	24.6
407.18631	14.4
491.24091	12.5
493.25598	37.1
528.84442	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	5.3
65.39447	3.2
67.78510	3.2
69.03425	8.3
81.03397	31.3
97.02883	12.0
104.14651	3.7
109.02872	100.0
117.05482	10.2
127.03916	16.1
136.82204	4.0
139.03931	3.9
151.26039	4.5
168.24014	4.0
169.04945	18.4
460.21259	5.3
625.79791	6.0
679.80359	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	722.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	14.5
55.01860	1.8
57.03433	11.0
60.04499	2.3
61.02902	3.2
61.68096	1.6
67.01853	3.8
68.06258	1.8
68.99699	1.5
69.03419	5.4
71.04967	3.6
80.83669	1.7
81.03408	26.8
85.02898	5.5
91.71573	2.8
97.02873	14.8
98.06015	2.1
99.04465	7.6
99.05155	1.5
103.97968	1.7
109.02874	33.8
117.05468	12.4
126.06081	2.0
127.03914	27.9
141.60698	2.1
159.06525	100.0
166.09766	1.9
169.04994	4.7
187.06065	10.8
196.47055	2.2
228.66289	2.1
229.07138	4.0
247.08138	5.4
249.25974	1.9
285.21387	2.0
301.18723	2.1
376.04919	2.1
434.40259	2.1
572.08221	2.3
692.62280	2.5
695.31012	2.2
714.53485	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	723.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06573	8.4
71.65689	6.6
76.01015	5.5
76.66673	5.3
95.25455	6.6
107.72206	5.9
139.03873	12.5
163.40981	6.3
164.38383	6.2
193.08498	6.0
203.10086	6.5
217.01524	7.4
237.66393	8.4
285.74283	8.2
723.24493	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51812	0.6
58.54263	0.6
69.03403	2.8
71.04968	1.9
81.03417	4.1
83.04977	3.8
84.42562	0.6
85.02887	3.5
91.05481	1.1
95.04956	1.4
97.02864	5.1
103.05460	23.0
109.02867	1.8
111.04429	2.5
111.90984	0.6
112.01203	0.7
115.25386	0.7
115.66720	0.7
119.46967	0.6
121.02836	1.2
127.03903	1.5
131.04922	100.0
137.48787	0.7
144.08087	2.5
149.05962	11.6
242.63469	0.8
254.58792	1.1
275.09177	3.5
281.81653	0.7
287.05493	7.7
293.10260	3.6
329.06552	2.4
397.09250	1.0
433.11423	1.1
505.78516	0.9
551.33063	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30841	3.9
56.36771	3.3
57.07063	6.8
59.53797	3.3
60.58920	3.2
67.05499	4.0
69.07038	5.0
82.77936	3.9
89.61348	3.8
90.09159	3.6
93.67596	5.5
95.08604	6.1
105.60191	4.6
116.35178	4.6
117.38907	3.9
126.44831	4.1
136.65538	4.3
139.00204	4.4
143.36751	4.5
161.32008	4.4
189.55585	4.5
346.59335	5.0
383.24088	5.8
686.46722	5.4
725.47845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98800	7.9
51.41235	7.4
54.71883	7.2
55.01866	14.0
55.05506	20.0
55.32071	7.3
57.03421	22.1
61.02922	13.5
64.76649	8.0
65.03918	9.3
67.05499	70.7
69.03424	10.0
69.07063	29.7
74.91628	8.8
79.05479	30.4
81.03417	18.9
81.07063	100.0
81.21358	7.7
83.04988	10.6
83.08634	10.3
85.02899	22.6
91.03933	9.3
91.05481	41.1
93.07065	66.6
95.08606	39.8
97.02892	14.9
97.06545	27.8
105.07031	25.1
107.08586	44.3
117.07053	22.3
118.44563	9.8
119.08607	22.5
121.10181	15.3
127.03978	9.4
131.08568	24.1
133.10101	15.3
135.11716	34.9
145.10085	10.1
159.11688	24.7
163.11105	14.0
168.27126	10.7
177.12701	29.8
195.13879	14.8
203.89005	9.9
235.53723	9.8
251.16309	11.1
255.15973	29.7
269.17413	95.6
273.54813	10.5
275.20123	24.1
311.99176	10.5
349.23795	52.5
353.69467	10.4
367.24930	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70910	1.6
53.03931	3.9
53.77599	1.6
54.49797	1.7
55.01859	5.1
55.05496	10.1
57.03422	8.4
61.02914	6.9
61.83619	1.8
67.05175	2.8
67.05502	37.0
69.03421	4.9
69.07068	14.2
71.04980	3.6
76.76782	2.1
77.81819	2.3
79.05489	18.0
81.03407	4.4
81.07051	75.1
83.04953	5.0
83.08615	11.6
85.02881	13.4
85.06523	3.3
91.03940	6.9
91.05473	20.4
93.07041	25.1
95.04958	7.2
95.08615	20.9
97.02882	7.1
97.06528	8.0
99.04485	2.2
105.07034	20.5
107.04933	5.1
107.08617	15.1
109.02878	3.0
109.06506	23.3
109.10166	8.8
111.08082	3.2
114.81036	2.1
117.07017	6.5
119.08546	18.0
121.06510	4.5
121.10155	13.1
123.08054	3.9
123.11703	4.2
127.03899	3.2
129.06998	2.9
131.08562	8.9
133.10164	13.3
135.08066	5.5
135.11670	8.4
137.09567	2.5
143.08572	4.0
145.04961	3.2
145.10144	8.1
147.08057	2.5
147.11674	17.0
149.09595	5.6
149.13245	8.0
157.10135	4.2
159.11734	7.1
161.13220	4.6
165.12755	7.1
168.91791	2.5
177.12682	5.2
217.17871	2.6
255.15889	5.9
257.18964	2.8
269.17542	11.8
275.19989	26.4
291.90848	2.7
293.21268	5.5
294.28400	2.6
349.23709	61.4
367.24768	100.0
529.30493	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	726.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.2
55.05493	13.0
57.03423	14.3
57.07063	3.7
67.05172	7.0
67.05498	89.7
69.07063	21.4
73.05764	3.7
79.05481	29.4
79.75475	3.3
81.03410	5.3
81.07047	100.0
82.09611	3.4
83.08611	13.6
91.05480	22.0
92.29474	4.3
93.07033	51.9
95.04951	4.1
95.08592	39.9
97.06531	8.0
100.54440	4.2
105.07031	9.9
107.08594	31.5
109.10137	19.6
111.08102	7.6
117.07012	9.9
119.08577	7.0
121.09384	4.1
121.10142	27.1
129.48383	4.3
131.08559	15.9
133.10092	8.8
135.11687	5.8
147.04390	5.8
149.13248	17.6
161.13306	6.5
173.13309	6.2
195.13789	7.5
207.49847	4.3
261.22260	4.3
269.17490	47.6
283.64081	5.3
335.25845	40.3
529.38861	56.6
583.77313	4.9
664.21313	5.8
721.76190	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	727.2077
Annotation	Kaempferol 3-xylosyl-(1->6)-glucosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
54.01580	0.4
55.01867	0.7
57.03428	2.7
61.02909	0.8
69.03418	4.2
70.06587	1.0
71.04610	0.9
71.04984	12.5
71.08199	0.5
73.02908	2.3
75.04462	1.1
83.04980	2.4
85.02898	19.4
86.09671	0.9
87.04444	0.8
93.83504	0.5
97.02882	4.1
109.02854	0.7
111.00764	0.6
111.04436	1.5
115.03934	2.2
117.68371	0.5
121.02859	2.5
127.03923	1.5
129.05469	4.8
133.04880	0.7
137.02307	1.0
139.03906	0.7
140.84988	0.5
145.04915	0.9
147.06485	1.3
153.01833	2.5
155.34724	0.6
165.01907	1.0
213.05513	0.8
225.07626	0.7
226.53186	0.7
231.06528	0.6
241.04939	0.6
258.05051	0.9
264.29556	0.7
287.05481	100.0
288.05743	1.5
297.32339	0.6
311.74368	0.6
449.10709	0.7
525.96106	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
57.03421	2.8
59.31426	0.7
61.02907	0.8
67.05458	0.9
69.03420	5.0
70.06593	1.7
71.01333	1.0
71.04985	12.6
72.79878	0.7
73.02911	4.5
75.04482	0.9
81.03407	1.3
83.04954	2.4
85.02894	20.2
88.54177	0.8
95.04964	0.8
97.02880	5.5
99.04462	0.9
106.67258	0.8
111.04434	2.1
115.03898	1.2
121.02888	3.0
127.03936	1.8
129.05467	3.4
137.02386	0.8
145.04939	1.9
147.06538	1.4
153.01837	2.8
165.01791	1.7
170.95508	0.9
256.59897	1.0
275.03278	1.0
287.05478	100.0
299.33160	0.9
314.50577	0.9
318.97052	0.9
409.39487	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	13.4
70.32557	6.6
78.75433	7.1
79.92403	6.2
81.03449	8.8
81.07037	10.1
91.05505	8.1
121.10070	9.7
152.15073	7.7
159.00513	8.1
283.17252	8.0
329.08514	22.5
372.69424	9.2
376.60083	8.1
458.13120	10.2
569.67163	10.0
611.33740	18.7
699.55817	10.5
727.37982	100.0
755.27112	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	727.433
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88455	13.9
61.88550	14.4
72.41064	16.6
91.71038	18.8
148.99980	17.0
247.92497	19.8
518.20538	53.9
519.22430	35.0
727.43549	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	11.7
59.51332	9.9
67.05483	37.2
69.34573	9.6
70.09624	11.5
77.46501	10.0
78.94813	9.4
79.31396	9.8
81.07066	33.5
91.05463	12.8
91.71130	17.1
95.02387	12.4
95.08603	21.6
99.20801	10.3
108.39124	12.9
151.63026	10.9
198.75790	12.4
287.85358	13.2
518.20782	47.3
519.21045	26.4
719.08160	14.1
727.43262	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	6.5
55.43602	5.4
58.73221	5.0
66.75684	4.9
66.99494	5.5
67.05499	15.6
69.07049	5.4
69.78898	5.1
73.19021	5.7
81.07065	15.9
91.71574	11.5
94.06039	5.8
95.08588	11.2
109.35918	5.7
137.68886	6.6
182.86859	7.6
205.03796	6.4
340.49789	7.6
516.42755	9.2
518.20667	50.3
519.21301	37.4
709.51343	10.2
727.43207	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.9
54.54252	6.2
55.01857	9.7
55.05504	36.8
55.09504	5.1
57.03418	24.5
60.18299	5.9
65.03941	7.3
65.98051	5.8
67.05499	100.0
69.03421	26.5
69.07053	19.1
71.04980	6.5
73.02892	6.3
79.05485	73.9
81.03403	24.7
81.07041	91.4
83.04957	15.8
83.08600	13.8
85.02900	17.9
91.05480	75.1
93.07028	92.6
95.04945	20.9
95.08595	70.3
97.02873	14.9
97.06502	7.6
103.05439	6.5
105.07021	56.6
107.04962	17.2
107.08562	42.2
109.02865	8.8
109.06525	7.2
109.10163	22.2
112.88526	5.7
115.05517	9.5
117.07002	32.2
119.08578	53.2
121.10126	30.5
127.03909	8.5
129.06982	18.2
131.08571	42.3
133.10117	44.4
135.08044	8.1
135.11682	19.8
141.06990	15.2
143.08589	19.6
145.06592	8.8
145.10112	39.9
147.08049	8.0
147.11671	18.3
149.13307	7.4
155.08517	16.8
155.63023	7.2
157.10138	26.8
159.08051	9.8
159.11684	17.1
161.09657	7.0
165.06866	8.5
167.08603	9.2
169.10159	17.6
171.08067	8.9
171.11699	26.7
175.11176	7.5
181.10088	12.8
183.11621	15.8
185.13309	10.2
201.16498	8.3
209.13135	8.2
249.18379	7.5
287.07330	15.7
335.25766	31.9
339.19589	7.6
357.20343	7.6
375.21786	9.1
413.23672	8.4
449.24936	7.9
569.32593	27.6
667.36932	9.7
673.44159	8.9
727.38177	91.4
727.48914	8.3
728.38464	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	727.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	8.8
55.05499	26.5
57.03419	25.0
57.07069	12.8
57.88033	8.2
65.03941	10.9
67.05496	96.4
69.03415	24.9
69.07053	41.5
70.97887	9.1
79.05486	48.7
81.03409	20.5
81.07047	98.9
83.08628	9.2
85.02858	13.8
86.30772	8.3
91.05474	77.1
93.07032	80.7
93.12412	9.9
95.04945	18.9
95.08614	59.6
97.02884	15.6
99.42583	8.0
105.07014	53.9
107.04970	14.9
107.08588	24.3
109.06537	11.4
109.10154	16.6
117.07017	29.7
119.08569	47.9
121.10126	32.9
126.40659	8.3
129.07030	21.3
131.08575	25.8
133.10136	31.0
135.11725	14.5
141.06927	10.9
143.08522	14.3
145.10129	22.6
147.11774	14.5
155.08511	8.6
157.10117	15.0
159.11670	19.0
161.13281	12.2
171.11722	12.0
173.13271	9.0
181.10054	14.4
183.11679	11.4
185.13361	11.3
195.11731	11.2
218.27805	9.9
287.07440	24.9
335.25870	27.6
339.19620	13.5
357.20599	18.7
569.32874	37.8
727.38055	100.0
728.38562	17.3
756.31873	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	728.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71767	4.4
56.05059	9.7
57.03441	17.9
58.99582	25.9
60.04782	5.7
61.02923	7.7
67.05501	18.8
69.03435	8.8
70.06585	6.9
71.20367	6.0
74.00665	7.9
76.02221	83.2
79.05477	28.4
81.03425	10.3
81.07060	24.9
83.04974	7.1
83.06110	15.3
83.08628	5.4
84.04507	16.4
85.02911	8.9
86.00671	14.2
86.99076	11.4
88.02254	8.1
91.05486	10.4
93.07041	45.3
94.06622	6.8
95.04996	7.1
95.08631	23.5
96.77853	5.7
97.01140	26.5
97.02837	8.4
99.04479	6.0
100.02221	9.8
102.05563	8.2
105.07077	11.1
107.04977	8.6
107.08611	14.5
111.02650	42.1
116.01662	53.6
119.08604	10.8
121.10144	59.3
123.08061	12.6
129.06609	13.7
130.05029	9.1
131.08623	16.4
137.04297	6.3
142.03276	16.4
144.01186	23.3
144.96219	5.7
149.09589	28.3
155.05220	36.8
162.02148	46.0
167.10786	13.6
179.04814	35.4
179.08842	7.6
187.05435	8.7
189.07304	8.5
191.33385	6.1
198.86217	6.2
207.08513	18.3
215.05013	7.8
224.10951	30.4
226.33464	7.8
233.06073	8.3
241.14412	27.1
242.12134	19.9
302.07278	6.0
308.09360	9.0
319.28357	5.9
343.47296	8.3
346.40747	7.2
374.61536	7.0
401.17157	16.7
419.18417	100.0
420.86212	8.6
437.19589	25.2
446.33878	6.6
491.20712	20.5
548.23010	17.4
549.81000	6.8
566.23822	61.9
721.55438	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	728.5088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	15.9
55.98668	5.9
58.51136	7.0
67.05499	73.0
68.26842	5.8
69.07047	24.3
71.16998	6.1
79.05479	25.4
81.07047	89.7
81.42307	6.8
83.08610	16.9
91.05445	44.6
93.07027	64.9
95.08598	78.4
96.46876	7.9
105.07024	27.1
107.08573	26.2
109.10147	23.7
112.00829	7.3
117.07011	12.9
119.04939	14.8
119.08590	18.8
121.10135	48.3
123.11761	12.9
123.32330	6.9
129.17349	8.6
131.08559	15.8
133.10132	21.4
135.11690	26.3
145.10155	13.9
147.04396	100.0
147.11737	9.9
157.18198	7.7
159.11676	16.1
161.40933	8.0
171.11714	9.4
349.30099	8.3
469.40305	73.5
487.41507	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	728.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76702	1.5
55.05499	10.8
57.07064	1.8
65.03925	1.9
67.05495	33.9
69.07056	13.6
79.05487	10.9
81.07053	39.8
83.08602	6.0
86.13928	1.7
91.05463	27.2
91.70998	2.8
93.07043	22.1
95.04970	2.9
95.08604	31.2
95.57162	2.1
97.10152	4.7
105.07030	13.1
107.08591	17.2
109.10160	13.7
117.06984	2.7
119.04942	23.1
119.08566	10.0
121.10138	21.2
123.11696	4.9
131.08556	9.6
133.10121	10.7
135.11682	12.0
142.38962	2.0
143.08612	2.7
145.10130	10.3
147.03215	4.7
147.04405	100.0
147.11737	5.8
149.13222	3.1
155.68446	2.1
159.11745	2.0
159.63303	2.4
161.13217	3.9
165.05513	5.5
173.13283	2.5
247.13789	2.0
356.44189	2.6
357.35779	2.4
400.35376	2.0
412.22659	2.5
451.39355	5.2
469.40421	40.0
487.41379	42.5
488.42078	2.5
519.20880	4.4
543.34344	2.7
704.74609	2.7
728.42761	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	728.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	28.7
67.05494	94.1
67.05833	5.3
69.07073	13.0
71.04987	8.5
73.06561	4.6
79.05479	21.3
81.07047	100.0
83.08624	11.9
85.06578	4.6
91.05460	32.2
93.07044	35.6
95.08601	79.6
97.06532	6.9
98.11558	4.2
105.07073	13.2
105.88565	4.3
107.08600	23.3
107.74323	4.1
109.10156	31.7
111.08120	7.6
112.67277	4.2
119.08635	15.1
119.72066	4.6
121.08460	4.3
121.10127	36.6
121.10842	3.6
123.11754	17.1
131.08589	10.4
133.10086	25.0
135.11707	23.0
137.13298	5.6
145.10170	10.8
147.11766	5.4
148.66727	3.7
149.13326	10.4
151.11198	6.9
159.11722	4.8
164.32133	4.4
206.69380	4.5
215.17929	20.9
221.71617	4.8
233.19102	16.7
243.54324	4.7
249.18672	9.3
251.20038	29.4
323.25818	38.4
419.60657	5.5
555.44012	9.3
573.44940	6.2
755.83081	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	729.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55048	1.9
57.07064	2.5
58.06585	16.1
59.07377	11.2
69.84309	1.6
78.71644	1.9
99.80386	1.8
110.16484	2.0
110.33206	1.8
122.35114	2.0
132.10190	100.0
133.10527	8.6
134.08104	2.0
144.10211	7.7
145.03177	2.1
228.49481	2.2
307.00247	1.9
346.99619	2.1
456.28510	2.1
729.34717	20.0
756.31714	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	729.5448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	32.7
55.66659	6.1
57.07063	14.6
67.05499	39.5
69.07069	38.0
70.04231	6.7
73.97391	7.7
77.88116	6.7
81.07052	43.4
83.08619	12.4
85.52768	7.1
91.70975	9.1
95.08617	21.8
96.98418	7.1
100.17281	6.1
107.04987	7.1
109.10172	11.0
157.06497	10.7
209.00566	10.0
225.08975	9.1
251.10487	10.6
265.08694	10.1
380.99240	9.6
413.01413	8.8
510.46875	10.5
693.51740	12.8
711.53674	100.0
729.53845	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	729.5448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05257	3.0
55.05505	37.5
57.07057	9.7
57.49149	2.5
61.15823	2.5
65.79286	2.8
67.05499	29.7
69.07058	23.7
69.84064	3.7
71.08602	4.9
81.07047	28.1
83.08601	10.2
91.05450	7.2
91.71028	2.9
93.07033	8.5
95.08602	11.8
97.10144	4.7
97.42713	3.3
109.10160	10.0
113.98374	3.3
117.06959	3.9
119.49062	2.9
166.19365	3.4
198.32593	3.6
211.07578	4.4
237.09189	5.6
239.07080	8.2
249.09033	7.7
251.10712	4.3
263.07181	3.5
263.10876	5.6
265.08575	4.9
267.06436	4.6
277.08612	8.8
279.10147	4.2
291.10190	4.7
305.11841	5.0
505.29202	3.8
693.51959	13.0
711.41656	6.0
711.53345	100.0
729.54456	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	730.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	3.4
57.03444	3.4
60.08150	36.3
61.02935	7.6
67.05517	8.3
68.05015	6.5
69.03442	4.5
69.05824	7.1
73.02927	8.2
75.68580	3.1
76.09816	2.9
79.05492	8.1
80.40253	2.7
81.03452	5.2
81.07042	17.8
83.08654	5.6
85.02912	7.4
91.03970	4.1
91.05495	8.8
93.07048	7.4
95.08630	8.2
97.02906	7.9
99.01435	3.9
100.02261	3.1
109.06551	7.1
119.08594	7.0
125.01709	5.9
126.02480	26.2
127.03251	94.9
131.08580	4.9
143.02788	5.1
145.04318	42.7
145.32013	3.4
146.11099	3.1
165.09109	4.9
169.04329	5.1
184.09079	5.6
185.09824	46.3
186.10725	11.7
200.65854	3.6
201.06979	10.4
219.07959	31.8
269.33331	3.5
410.55881	4.3
436.91119	3.4
465.24280	5.3
686.36755	100.0
730.35468	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05304	2.0
55.05502	18.3
57.03417	8.3
58.73309	2.1
59.06120	3.3
60.05609	2.8
61.02916	4.2
67.04027	2.2
67.05493	81.2
69.07069	13.6
71.04996	23.0
79.05484	33.8
81.07045	100.0
83.08617	10.6
85.02890	3.6
85.06539	5.4
91.05470	32.7
93.07034	54.8
95.04993	5.3
95.08601	42.1
97.06527	8.1
97.62055	2.6
105.06998	15.8
107.08628	16.7
108.88515	2.9
109.06548	2.8
109.10144	21.6
111.08048	6.7
117.07013	5.9
118.06464	2.8
119.08595	10.7
121.10133	34.7
123.11717	10.3
131.08572	8.9
133.10115	18.7
133.87941	2.8
135.11705	8.3
145.10153	5.3
147.11702	4.2
149.13289	3.9
151.11203	5.5
169.12344	3.0
187.13388	3.1
232.81483	3.4
301.20071	6.2
307.22742	23.0
325.23776	12.8
367.24753	3.4
475.34195	43.6
533.38220	41.8
555.33997	3.8
575.42804	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	730.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	21.8
56.75968	3.0
57.03431	10.5
60.80089	3.2
64.98801	4.0
66.61526	2.9
67.05495	87.7
69.07057	16.4
71.04987	3.9
71.83989	3.2
77.18433	4.6
79.05470	30.9
81.07048	100.0
83.08606	22.6
85.06490	3.7
91.05482	24.2
91.96414	3.1
93.07046	47.1
95.08603	87.0
97.06533	9.8
97.10146	5.0
105.07027	12.6
107.08600	26.4
109.10146	33.8
111.08082	8.7
119.08571	10.5
121.10117	29.4
123.11701	11.8
131.08571	6.1
133.10101	19.8
135.11708	21.3
147.11713	6.7
149.13264	7.1
233.19101	9.5
239.80267	4.5
246.63037	3.8
251.20122	11.0
270.87317	3.9
307.22644	13.4
325.23703	65.4
367.24658	12.1
385.25858	20.4
488.23535	4.4
545.12103	4.3
547.08234	4.7
557.41974	15.3
575.43054	43.2
635.44696	13.2
738.75391	4.8
756.24854	5.2
757.01349	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	730.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99740	3.6
55.05495	18.9
57.03426	8.6
62.50763	3.6
67.05498	88.6
69.07065	29.3
79.05499	31.6
81.07046	100.0
83.08614	14.7
91.05457	27.1
91.71541	5.9
93.07031	38.4
95.08595	97.4
97.06510	6.9
97.10183	7.9
99.29292	4.4
105.07031	13.0
107.08571	24.9
109.10152	38.2
111.08061	9.1
119.08602	6.6
121.10130	37.9
123.11675	9.9
133.10107	17.6
135.11681	22.7
145.10100	7.8
146.35426	4.1
149.13286	5.3
156.80400	5.0
164.81416	4.8
168.02586	4.4
169.96332	4.4
187.82967	5.1
215.17943	7.0
251.20084	7.1
257.14532	5.1
277.94791	4.8
307.22745	8.3
325.23657	42.9
367.24890	11.0
557.41821	14.0
575.42987	63.5
635.44678	18.6
745.59766	5.9
756.41278	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	730.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	20.0
57.03415	8.2
57.45823	2.2
58.02369	2.7
59.97251	2.3
61.82933	2.5
64.79072	2.6
67.05495	88.1
69.07052	19.0
79.05483	29.8
81.07045	100.0
83.08615	15.6
83.53476	3.2
85.15916	2.7
91.05467	25.1
91.71017	2.9
93.07036	50.5
95.04971	3.8
95.08598	81.8
97.06521	11.6
97.10157	6.7
105.07027	13.1
107.08585	26.8
109.06492	3.2
109.10161	32.2
111.08067	8.0
119.08580	11.7
121.10120	31.3
123.11725	9.8
131.08588	8.4
133.10101	22.5
135.11667	16.5
137.09570	4.8
139.11169	3.2
145.10103	3.4
147.11685	4.8
149.13211	7.2
151.11206	4.8
159.11696	3.5
191.66267	3.3
215.18069	4.0
233.19060	7.9
237.22615	3.0
251.19997	9.5
307.22623	14.9
325.23706	52.3
367.24728	9.9
385.25824	13.3
546.69055	3.5
557.41571	10.5
564.83472	3.3
575.42950	42.4
624.88031	3.1
635.44965	13.8
695.22198	3.9
695.46667	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	730.5454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.3
56.05035	7.0
60.04530	5.5
67.05496	35.8
69.07072	10.6
70.06605	7.8
74.09708	6.0
77.85455	4.4
79.05508	20.1
81.07049	32.5
82.06576	11.5
83.08622	5.8
91.05486	24.9
91.71723	10.3
93.07011	24.9
94.06544	28.9
95.05024	4.8
95.07383	13.7
95.08601	29.2
96.08145	9.1
105.07057	12.5
107.08588	8.1
108.08183	5.5
109.10168	10.8
119.08602	13.1
121.10211	17.1
122.18688	4.6
133.10149	8.6
135.11748	9.9
150.07137	4.4
171.68753	6.3
249.22121	9.2
261.22217	14.0
272.25961	11.9
278.24774	100.0
532.47174	20.8
543.44098	6.1
550.48108	16.6
557.90680	5.5
712.53149	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	730.5669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	25.5
60.00560	3.5
60.08164	3.2
62.79308	3.0
63.59764	3.8
69.07104	3.8
71.08618	35.1
72.08114	4.3
74.76956	3.7
81.07069	3.8
85.10172	16.4
87.04475	10.0
87.45026	3.3
88.36962	3.4
89.06019	100.0
100.29458	3.5
103.97257	4.1
107.86726	4.2
117.09106	7.0
127.94440	4.3
130.08623	32.9
131.07027	5.7
132.10199	13.0
133.08598	72.5
134.08157	8.6
177.11183	23.1
184.07381	8.5
184.89336	4.1
211.24342	6.3
215.66628	4.5
221.13983	5.4
588.35028	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	731.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27299	2.0
57.17904	2.0
57.34043	1.7
67.45651	1.9
72.27921	2.1
73.71844	1.8
86.03300	2.5
91.71072	4.6
164.63582	2.5
190.91000	2.4
203.05588	3.2
259.07828	3.5
331.10214	3.3
331.40985	2.5
407.23901	4.8
441.21033	3.6
569.29480	16.4
603.26257	3.6
731.34613	100.0
731.47534	4.9
732.34729	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	731.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90641	5.4
56.79261	6.2
95.82526	6.6
98.74558	6.8
105.37622	9.6
112.24075	7.1
119.71612	7.2
190.90092	8.9
203.34538	8.6
292.58609	7.9
437.19705	10.2
691.03455	8.3
731.34424	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
64.90618	9.1
67.05487	14.0
72.08154	14.2
77.96861	9.4
81.07033	14.3
85.02861	13.3
89.99204	12.1
93.07017	13.9
105.64331	15.3
125.07847	11.7
132.10223	27.5
133.10538	13.7
134.08151	47.6
137.13992	11.8
154.85539	13.0
228.58560	15.4
328.43698	13.1
449.05417	12.9
693.02368	15.0
693.14209	15.9
731.43524	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.5077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97053	13.0
64.39141	9.7
82.09142	12.2
149.09947	12.1
150.58226	11.7
456.40683	14.4
731.50934	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.2
56.05037	0.7
57.31377	0.5
68.08842	0.5
69.07052	4.3
72.08142	21.3
74.00651	0.6
76.02213	0.9
80.34443	0.5
80.57855	0.5
86.09693	100.0
87.09985	0.7
96.08092	1.0
98.09687	2.0
112.11227	3.3
113.10795	1.1
119.83711	0.6
122.02710	5.8
128.05325	1.4
128.34337	0.6
131.11798	0.9
137.06010	1.8
140.14352	1.9
141.10210	5.9
142.06841	1.5
154.15929	1.9
156.10144	0.6
157.13341	12.5
164.90617	0.6
167.11772	0.9
169.09727	2.2
173.07423	3.6
175.08952	0.7
177.99950	1.0
183.11324	2.0
185.12828	10.3
185.16501	2.6
191.04837	1.3
193.06438	1.7
195.02596	1.1
197.09198	0.8
199.18089	3.3
200.07469	1.6
211.18069	2.1
213.16048	2.8
219.07980	1.4
223.02130	1.0
223.85196	0.7
225.19592	1.2
227.17610	1.0
233.09592	0.7
235.10982	1.0
239.17615	0.9
239.95018	0.6
251.17584	0.9
253.19244	1.2
254.14932	1.5
264.17017	0.6
282.17999	3.7
284.19791	1.7
294.09351	1.1
296.19748	1.6
298.21231	4.2
314.15430	1.4
319.07843	1.0
336.10580	1.9
348.14368	0.9
353.21872	1.9
404.16571	0.7
411.29254	0.8
435.17517	2.3
466.30286	2.3
506.21005	2.4
510.44409	0.8
548.25909	1.0
619.29138	7.2
633.31378	0.9
647.28760	0.8
704.38342	2.0
732.37573	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	732.5227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	4.0
55.05507	25.2
57.03421	8.9
57.07058	7.3
67.05495	98.4
69.07063	51.6
71.04974	4.2
71.08617	8.8
79.05489	25.9
81.06596	8.0
81.07045	100.0
83.08605	32.7
89.06016	16.4
89.69585	4.2
91.05466	34.9
93.07041	38.0
95.08599	87.8
97.06509	12.7
97.10175	16.8
105.07037	16.6
107.08587	25.6
109.10152	44.2
111.08056	9.5
111.11699	3.9
117.05554	6.0
119.08588	10.7
121.10136	34.6
123.11697	12.4
130.08630	6.4
131.08603	6.6
133.08624	13.1
133.10150	20.4
135.11655	16.3
145.10136	6.8
147.11649	9.2
149.13237	7.6
164.71989	4.2
215.17953	9.8
233.19012	5.8
235.20506	4.9
242.71626	4.2
253.21568	6.9
307.22720	9.5
309.24033	24.7
325.23615	36.6
327.25293	25.3
367.24649	8.3
369.26675	6.4
385.25833	9.5
387.27560	6.5
425.28082	4.8
559.43365	18.4
577.44629	37.5
637.46558	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	732.525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.1
55.01860	2.2
55.05503	28.9
57.03420	8.8
57.07080	3.7
65.03946	2.7
67.05495	85.7
67.16594	1.9
69.07056	42.4
71.04967	3.7
72.51509	2.0
79.05479	25.0
81.07046	100.0
83.08617	29.1
85.06540	4.6
91.05474	23.3
93.07034	42.9
95.04962	3.2
95.08599	93.0
95.86887	2.0
96.87354	2.0
97.06516	8.2
97.10167	14.8
105.07021	16.1
107.08581	26.5
109.10146	32.1
111.08092	6.8
111.11715	2.7
115.22099	2.1
117.05457	3.3
117.07034	2.6
119.08547	13.1
121.10139	38.4
123.08067	3.6
123.11706	11.8
124.20892	2.3
125.13285	2.1
131.02878	2.3
131.08554	9.5
133.10112	26.4
135.11688	23.0
137.13277	2.8
145.10094	4.2
146.14511	2.3
147.11723	9.2
149.13249	6.0
151.11128	5.2
153.12741	2.9
159.11670	3.9
161.13214	2.9
165.12743	2.9
215.17952	6.5
217.19540	4.1
233.19032	6.0
235.20471	4.0
251.20007	5.8
253.21706	2.5
289.21677	2.4
307.22626	11.4
309.24179	30.2
325.23682	24.1
327.25397	9.6
367.24646	5.7
385.26041	3.6
485.40366	2.9
559.43585	30.8
577.44489	33.3
619.45801	3.2
637.47314	13.2
697.48993	2.5
756.43243	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	732.525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	29.3
57.03426	9.2
57.28654	3.2
64.81581	4.2
67.05170	7.2
67.05496	92.3
69.07058	38.1
79.05491	25.0
81.07047	100.0
83.08609	28.3
89.12207	4.0
91.05472	25.9
93.07030	43.7
95.08594	87.5
97.06564	9.9
97.10164	15.1
105.07022	13.1
107.08576	23.3
109.10175	39.4
109.10918	6.1
111.08066	7.2
111.11685	4.9
112.64708	4.5
117.05473	9.3
119.08601	11.2
119.30403	4.3
121.10124	32.9
123.11717	16.3
123.77897	4.9
131.08580	11.7
133.10143	22.6
135.11673	22.3
139.69809	4.5
145.10129	5.3
147.11687	7.8
161.13170	6.9
251.68385	4.7
307.22784	12.6
309.24188	34.9
325.23648	38.2
327.25375	26.7
367.24820	6.1
369.26065	8.6
385.25870	13.9
559.43304	12.6
577.44250	32.7
637.46277	13.8
692.01556	5.8
697.49084	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	732.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	24.0
56.47910	3.3
57.03422	5.7
57.07041	4.0
63.47653	3.8
67.05495	100.0
69.07060	25.2
72.26201	4.2
79.05495	31.2
81.07045	98.0
83.04990	4.4
83.08610	18.4
83.53220	3.4
85.06528	5.5
91.05476	31.1
93.07033	45.4
95.08600	88.7
95.27831	3.6
97.06540	10.8
97.10161	13.5
97.71937	3.9
105.07018	15.8
107.08582	26.2
109.10147	37.1
111.08086	7.5
117.05441	4.9
119.08592	15.5
121.10121	38.3
123.11710	8.2
125.09622	5.3
131.08485	5.2
133.10120	23.0
135.11694	26.1
137.13354	3.8
141.75250	4.1
145.10081	7.5
147.11697	6.2
149.13260	7.3
151.11246	4.8
151.28249	4.5
217.62189	4.6
235.20627	7.7
251.20096	9.9
467.38583	5.6
485.39923	14.0
487.41473	6.8
503.40689	10.0
559.43530	16.3
566.65668	5.2
577.44543	57.5
578.45294	5.3
619.45721	7.0
637.46600	27.2
697.48334	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	732.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53290	6.0
51.54443	5.5
51.71999	5.2
52.08215	5.3
53.26902	6.5
53.43235	5.4
55.05492	12.9
67.05495	92.4
69.07043	22.6
72.85140	6.0
79.05480	16.3
79.10577	6.7
81.07043	100.0
83.08624	17.0
83.31725	6.5
88.57308	7.0
91.05475	28.9
93.07025	41.2
95.08600	82.5
97.10199	6.7
105.07033	15.7
107.08572	28.9
109.10143	36.2
119.08586	15.6
121.10140	36.8
123.11714	13.0
131.08553	8.4
133.10152	19.5
135.11679	29.8
145.10226	10.0
149.13196	9.5
233.19168	8.5
251.19949	13.2
292.13995	8.1
307.23087	8.4
308.39639	8.3
363.94855	10.4
364.37991	7.9
458.11295	10.0
559.43384	26.3
577.44507	71.4
729.58215	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	732.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	14.2
55.05755	4.9
57.07069	7.3
60.04515	100.0
67.05511	24.4
69.07059	14.1
70.06577	6.4
74.06070	5.7
79.05487	11.2
81.07061	16.0
83.08629	7.0
89.06028	7.7
89.14156	5.9
91.05491	7.4
93.07038	11.2
95.08616	16.2
97.10176	7.8
100.63860	5.3
104.02077	6.3
105.07045	10.1
109.10161	7.4
119.08605	12.9
146.01740	5.9
153.08893	6.7
188.41777	5.9
223.53572	5.6
224.43912	6.3
260.24106	6.4
262.19391	6.6
262.25345	21.7
280.26431	17.3
296.19031	6.9
298.27283	7.8
314.14526	6.5
339.87585	7.6
534.48773	8.7
552.49860	65.6
570.51050	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	732.5623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13000	10.3
57.07071	12.7
60.04510	100.0
65.08958	10.9
67.05485	29.4
69.07059	21.7
76.86623	13.7
80.20728	14.7
81.07058	23.7
83.08618	23.2
93.07076	19.0
94.83089	15.3
95.08586	23.0
104.21338	15.8
136.51178	15.8
164.73381	13.6
179.40247	12.8
203.26712	14.9
205.76926	17.7
262.25290	33.8
280.26376	39.1
516.47778	18.1
534.48822	19.7
547.48401	22.9
552.49866	71.3
647.79065	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	732.5626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	26.2
55.23386	16.5
56.22352	17.9
57.07058	45.1
58.83529	17.8
60.04518	20.4
67.05489	38.4
69.07047	37.2
71.65718	17.8
77.72872	18.0
79.05483	33.5
81.07045	55.5
82.06570	53.1
83.08592	64.8
91.05466	25.3
93.07019	35.2
94.06575	48.1
95.08576	77.2
105.07023	21.5
107.08556	22.2
107.42264	19.2
108.08120	25.7
109.10155	46.0
119.08607	21.0
133.08578	24.3
262.25256	100.0
272.25955	32.5
280.26297	63.4
473.99130	22.6
494.96259	24.7
534.48859	42.0
552.49921	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3558
Annotation	Manassantin A
Peak:m/z	Relative Intensity
52.89905	4.3
66.92204	4.8
67.05501	12.8
130.71611	5.9
141.15581	6.0
160.83923	5.7
162.21999	5.2
292.42441	6.0
374.16486	6.2
405.50421	7.9
733.35504	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3556
Annotation	Manassantin A
Peak:m/z	Relative Intensity
67.05500	13.7
73.22079	4.6
77.94177	4.5
81.07069	13.0
83.08640	6.7
93.07055	10.4
95.08579	10.8
102.18166	4.8
109.10110	6.7
125.12390	4.5
128.31537	4.8
129.61182	5.0
177.05501	6.6
185.21059	5.0
253.76071	5.7
322.92426	5.6
653.48547	6.1
733.35535	100.0
755.24695	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	733.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77032	3.2
61.02930	3.8
68.83028	3.1
69.03461	4.3
70.65163	3.0
73.02924	3.9
79.05489	8.9
79.12550	3.0
81.07057	4.9
82.64212	3.7
85.02894	7.6
91.05458	7.1
93.07037	7.7
94.12471	3.7
95.08588	8.6
96.41521	3.4
105.07037	7.1
107.08589	5.0
121.10172	5.3
127.38054	4.5
133.10181	5.2
135.11687	4.7
235.98767	5.2
249.11050	13.3
324.21170	4.7
442.65216	5.1
467.18851	9.3
476.14468	4.9
507.25314	9.0
645.61328	4.7
733.37500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63715	1.9
55.05499	6.4
57.07065	2.6
67.05502	13.2
69.07051	17.2
79.05503	2.9
81.07052	15.8
83.04932	2.5
83.08616	11.4
91.05457	6.9
93.07027	5.9
95.08594	19.4
96.91713	2.6
97.10167	10.4
97.93861	2.4
105.07071	3.8
107.08587	5.1
109.10176	7.4
119.04939	10.7
119.08577	3.1
121.10143	4.1
123.11691	3.5
137.32729	2.4
147.04408	47.4
147.11731	2.9
217.19444	3.9
235.20605	2.9
257.24896	4.2
513.78558	2.6
646.88312	2.6
674.63342	3.0
719.65881	2.8
733.42816	100.0
734.43384	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	733.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85947	9.0
91.71027	20.7
92.68368	9.6
95.08633	10.9
102.65138	10.7
107.04991	10.8
124.80692	9.8
129.35774	12.4
190.05711	10.8
202.75612	11.3
203.03400	11.7
211.70705	11.4
274.25470	10.7
360.46619	12.4
509.39471	27.2
691.64087	14.7
733.46393	100.0
736.91046	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	733.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94170	16.9
59.66719	17.6
68.17165	18.6
90.01663	24.3
110.79365	23.9
111.40255	19.7
155.09880	21.9
161.02911	20.0
233.45366	24.2
310.98553	24.0
366.88950	27.6
733.45667	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49767	5.8
59.90310	6.8
66.06336	7.0
69.07027	8.5
70.22946	6.6
81.07079	11.2
89.06011	9.1
89.74223	7.5
118.86124	7.6
251.37520	9.7
733.48157	100.0
755.30811	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	733.5242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	10.5
57.07067	2.8
61.54699	1.6
66.89007	1.3
67.05495	16.7
69.07060	20.5
69.26392	1.7
70.30592	1.6
79.05456	3.8
81.07046	25.0
83.08596	15.3
91.05458	10.7
93.07026	5.9
93.07562	1.7
95.08591	19.3
97.06522	2.0
97.10149	10.2
105.07016	4.9
107.08579	4.1
109.10145	9.5
111.11736	5.8
117.49523	1.5
119.04944	18.9
119.08568	4.5
121.10161	5.1
123.11706	5.5
125.02136	1.6
128.06779	1.7
133.10133	3.8
135.11642	2.7
137.13235	3.5
147.04398	100.0
147.11691	2.8
149.13281	1.7
161.13309	3.0
163.78900	1.6
217.19566	4.8
235.20554	6.1
239.23628	2.0
253.21689	5.1
257.24664	3.8
277.07727	1.8
285.75293	1.8
509.45953	8.8
624.86145	2.2
733.42853	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	733.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20841	1.1
55.05500	11.7
56.35648	1.3
57.07066	3.2
67.05500	15.7
69.07062	20.0
71.04996	2.0
76.12406	1.3
79.05511	2.5
81.07047	25.8
83.08600	14.6
85.06518	1.3
91.05473	11.3
91.05872	1.1
93.07054	4.4
95.08598	23.9
95.09148	2.0
97.06541	1.7
97.10172	9.8
105.07039	3.2
107.08629	4.2
109.10143	10.1
111.11739	3.5
119.04935	18.6
119.05632	1.3
119.08633	2.6
121.10190	6.4
123.11733	4.1
133.10165	2.7
135.11737	5.1
137.13297	2.4
147.04402	100.0
147.11707	3.3
151.14865	1.7
161.13332	1.9
175.15036	1.5
217.19658	4.0
221.22681	1.6
225.23541	1.6
235.20636	5.5
253.21576	2.0
257.24734	3.8
290.15677	1.6
402.32452	2.0
509.45688	5.2
553.07233	1.8
733.42542	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	733.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	11.7
55.35682	1.4
56.82902	1.3
57.07059	4.3
58.49713	1.5
59.58380	1.5
60.43334	1.6
65.03943	2.1
67.05493	18.2
67.18934	1.5
69.07065	18.8
79.05479	3.5
81.07044	25.1
83.08608	13.3
91.05486	10.9
93.07043	5.9
95.08604	23.5
97.06557	2.2
97.10170	10.7
105.07018	1.7
107.08603	3.2
109.10166	11.2
111.11687	3.7
119.04947	19.4
119.08569	3.7
119.32232	1.9
121.10147	5.5
123.11768	3.8
125.13306	2.0
133.10150	4.7
135.11728	5.7
147.04401	100.0
151.14819	2.3
161.13144	2.4
217.19591	4.4
235.20581	7.4
253.21661	4.7
257.24722	4.2
271.22745	3.4
509.45721	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	733.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63857	1.1
55.05505	14.5
55.57341	1.1
57.03434	1.3
57.07076	5.1
58.73354	1.2
65.03950	2.1
67.05494	25.7
67.05822	1.7
69.07056	27.9
71.05016	1.8
71.08623	1.8
79.05495	4.5
81.07045	35.2
82.80534	1.3
83.08611	19.3
85.06557	2.6
91.05479	13.2
93.07037	8.5
95.08591	28.8
95.09140	2.0
97.06554	3.7
97.10168	14.7
97.10661	1.4
105.07062	4.0
107.08627	5.1
109.10143	15.8
109.10728	1.2
111.08102	1.2
111.11702	6.6
119.04954	19.6
119.08611	5.2
121.10138	9.1
123.11681	6.9
125.13326	3.0
133.10173	4.3
135.11751	6.1
137.13339	4.0
139.11208	1.5
147.04401	100.0
147.11694	2.9
149.13280	2.3
151.11256	2.1
151.14819	1.5
153.12779	1.8
161.13309	2.7
165.12877	2.3
175.14786	2.2
197.88449	1.7
217.19548	5.0
221.22629	1.5
235.20541	10.5
239.23682	2.6
253.21664	6.0
257.24823	7.3
271.22723	1.9
315.86380	1.5
325.27225	1.7
420.01447	1.6
509.45590	9.4
563.03119	1.6
655.49268	2.2
728.64746	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	734.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50240	0.9
55.01864	1.7
65.03931	2.1
69.03429	1.5
81.07036	1.3
83.82268	1.0
85.02893	7.7
94.04165	1.6
96.93007	1.1
97.02901	2.5
102.30972	1.3
103.05460	7.1
111.04484	3.9
122.03692	5.3
125.06033	4.2
129.06993	2.2
131.04909	18.1
137.05966	100.0
143.04854	1.9
144.05768	1.7
145.06474	1.5
149.05960	8.0
151.03986	1.3
153.05424	7.7
160.05183	2.2
163.07545	7.5
165.05487	7.4
167.77428	1.2
169.45132	1.1
172.05264	2.4
174.06911	2.1
175.07556	8.4
177.05537	5.3
184.07669	1.2
187.07527	28.3
189.09163	2.0
191.08586	1.6
203.06941	2.6
205.08661	2.2
214.20451	1.3
215.07045	2.9
219.08104	3.5
221.92616	1.3
233.08023	10.9
237.09177	1.8
247.07622	4.6
251.10721	2.8
261.09143	1.3
277.08701	4.2
279.10284	5.3
282.98395	1.4
283.09799	1.8
307.09851	2.6
309.11133	2.6
311.12766	15.5
321.11224	5.0
339.12256	22.8
341.14050	1.8
357.13208	11.6
380.07965	1.3
391.41019	1.3
391.47003	1.6
521.79724	1.4
533.12927	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00882	1.2
55.01839	1.4
69.03428	1.7
76.26958	1.3
76.41134	1.2
83.90623	1.4
85.02902	7.4
94.04166	1.5
103.05466	5.8
109.06509	3.5
110.15837	1.4
111.04414	2.2
117.06945	2.1
122.03632	3.0
125.05952	2.5
125.07711	1.5
126.17465	2.0
131.04947	16.4
137.05968	100.0
145.04988	1.6
149.05954	10.3
150.90839	1.6
153.05484	5.7
163.07544	5.4
165.05484	6.6
172.05159	2.0
175.07535	6.1
177.05490	4.9
177.09041	2.1
187.07539	25.1
203.06902	1.9
215.06923	2.1
219.07945	2.2
233.08147	6.0
264.07617	1.8
277.08575	2.9
279.10150	5.6
287.96954	1.8
297.11154	3.3
307.09796	1.9
309.11179	3.2
311.12732	16.8
321.11301	5.3
327.12607	1.6
339.12265	21.4
348.52823	1.6
357.13284	12.4
357.89194	1.7
690.13403	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	734.541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	51.3
55.18716	5.0
57.03421	9.7
57.07063	17.1
58.91716	5.7
59.61037	4.9
62.06090	6.0
67.05499	79.8
69.07057	87.5
71.04990	9.1
79.05487	22.4
81.07050	100.0
83.08615	55.7
86.46114	5.8
91.05478	18.6
93.07041	34.4
93.41142	6.0
95.08609	96.9
95.41887	5.9
97.06517	8.5
97.10178	30.8
99.80505	6.3
105.07050	16.7
107.08605	25.6
109.10162	45.6
110.88498	5.8
111.08029	6.7
111.11706	16.8
112.96954	6.0
117.05491	10.8
119.08573	20.4
121.10104	35.0
123.11721	15.9
125.09602	8.6
133.10091	18.6
135.11665	34.4
139.11098	8.4
147.11670	12.2
161.13280	11.9
164.87837	6.2
235.20479	9.3
253.21727	7.3
309.24213	38.2
327.25266	79.3
369.26282	9.6
387.27438	11.1
487.41684	7.4
579.46057	60.6
639.48480	11.7
712.09204	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	734.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50122	2.7
53.00280	3.3
53.03963	3.0
53.70379	2.7
54.57582	3.4
55.05293	3.2
55.05506	39.7
55.21668	2.9
57.03429	8.3
57.07063	6.4
63.25074	3.5
63.36493	3.3
67.05498	85.4
69.07063	68.9
71.04977	5.4
77.22626	3.0
79.05463	22.6
81.07051	100.0
83.04987	4.4
83.08600	28.0
85.06526	7.3
90.66791	3.8
91.05486	20.3
93.07034	31.4
95.08602	91.8
97.06516	11.9
97.10163	32.8
105.07032	10.9
107.08585	27.2
109.06538	4.2
109.10160	40.4
111.08078	7.1
111.11702	5.8
117.05492	8.2
119.08595	15.9
121.10160	33.7
123.08078	3.8
123.11698	14.4
133.10094	17.0
135.11687	33.2
137.09636	6.0
137.13222	4.4
147.11696	15.7
149.13292	9.0
152.75443	3.4
153.12811	4.1
161.13303	7.9
165.12730	5.1
168.72122	4.0
175.14815	5.0
212.67313	3.9
217.19484	10.3
223.83029	3.4
235.20538	23.0
253.21645	8.1
309.24277	8.7
327.25507	12.2
388.06537	4.7
487.41650	17.1
505.42337	11.5
561.45477	19.9
579.46100	38.0
639.48157	19.0
683.80737	5.6
699.50336	10.6
735.46362	22.0
756.47717	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	734.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50122	2.7
53.00280	3.3
53.03963	3.0
53.70379	2.7
54.57582	3.4
55.05293	3.2
55.05506	39.7
55.21668	2.9
57.03429	8.3
57.07063	6.4
63.25074	3.5
63.36493	3.3
67.05498	85.4
69.07063	68.9
71.04977	5.4
77.22626	3.0
79.05463	22.6
81.07051	100.0
83.04987	4.4
83.08600	28.0
85.06526	7.3
90.66791	3.8
91.05486	20.3
93.07034	31.4
95.08602	91.8
97.06516	11.9
97.10163	32.8
105.07032	10.9
107.08585	27.2
109.06538	4.2
109.10160	40.4
111.08078	7.1
111.11702	5.8
117.05492	8.2
119.08595	15.9
121.10160	33.7
123.08078	3.8
123.11698	14.4
133.10094	17.0
135.11687	33.2
137.09636	6.0
137.13222	4.4
147.11696	15.7
149.13292	9.0
152.75443	3.4
153.12811	4.1
161.13303	7.9
165.12730	5.1
168.72122	4.0
175.14815	5.0
212.67313	3.9
217.19484	10.3
223.83029	3.4
235.20538	23.0
253.21645	8.1
309.24277	8.7
327.25507	12.2
388.06537	4.7
487.41650	17.1
505.42337	11.5
561.45477	19.9
579.46100	38.0
639.48157	19.0
683.80737	5.6
699.50336	10.6
735.46362	22.0
756.47717	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	735.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79078	5.0
53.29821	4.6
56.50570	4.2
57.07074	54.6
58.77708	4.6
59.61163	4.3
61.46836	4.3
62.59145	4.7
67.72483	4.7
85.06542	16.2
88.33015	4.8
91.71004	6.2
94.12582	5.2
95.50038	4.8
139.45535	5.2
152.37180	5.9
182.44788	5.9
218.62810	7.6
298.06836	7.3
321.11212	21.9
347.09299	25.0
390.14636	18.4
405.16943	31.1
489.22748	100.0
691.06689	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	735.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	4.6
67.05491	9.2
69.07017	3.7
70.66988	3.2
79.05470	3.6
81.07034	6.8
95.08585	11.0
119.08630	3.5
130.61964	3.9
190.54218	3.7
194.43597	3.5
213.48354	4.0
240.05722	4.8
291.19315	11.9
301.66486	3.8
347.21735	7.6
351.21225	10.8
381.57083	4.5
407.23837	7.3
542.79431	4.9
560.69299	4.8
675.43713	6.1
735.46320	100.0
736.46918	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	735.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54959	4.0
54.85504	4.4
62.87374	5.0
62.99672	4.7
67.05499	8.8
67.45818	4.2
80.30629	4.8
81.07041	10.1
91.71072	7.9
93.80463	6.1
95.08608	11.0
270.05667	6.5
291.19370	11.3
337.16330	7.0
347.21829	6.1
353.54413	6.1
650.73328	7.2
735.46613	100.0
756.34210	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	736.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	15.3
57.01025	10.1
57.03429	20.5
59.94358	8.3
67.05493	94.8
69.07057	14.0
74.05961	10.1
79.05482	62.5
80.06273	11.6
81.07040	79.9
83.08636	11.1
89.43652	9.8
89.85630	12.3
91.05472	37.4
93.07020	65.3
95.08612	63.1
105.07020	27.6
107.08576	37.6
117.07049	12.7
119.08582	19.1
121.10088	59.9
131.08592	22.1
133.10150	32.5
135.11699	31.0
147.11787	17.6
215.17924	19.8
226.08963	12.3
233.19061	16.7
307.22620	100.0
487.75018	17.5
726.88678	13.4
728.43506	16.3
736.59473	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	736.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04510	100.0
67.05499	42.3
79.05477	20.0
81.07053	42.5
93.07080	29.0
93.57330	22.7
95.02974	24.5
95.08591	52.1
105.07077	40.8
107.08578	34.4
120.48947	23.9
135.61719	24.5
138.66661	25.4
146.58141	25.3
157.10144	29.5
214.34692	23.9
271.88013	29.4
305.96863	24.8
358.29700	57.9
376.30539	30.4
420.29626	86.7
584.59961	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64865	2.5
67.05586	2.6
67.13672	2.6
68.13656	3.0
77.85232	2.9
79.19755	2.8
80.33906	2.9
84.33756	3.1
85.00276	2.8
85.19730	3.3
92.06707	3.0
98.96365	3.0
142.80627	3.3
212.13344	3.6
212.64777	3.5
233.68576	3.7
368.76678	3.5
567.61963	3.9
617.44098	10.7
677.45959	6.0
737.47986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13131	2.8
62.91269	2.8
67.05495	6.0
68.85320	3.2
69.67772	3.1
81.07037	9.9
81.28161	3.4
86.21803	3.5
95.08591	9.8
109.10157	3.8
147.91873	3.5
275.59073	4.2
291.19244	6.9
351.21515	13.8
582.98700	4.7
617.43005	5.1
677.46313	5.4
737.48004	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45253	3.3
57.07043	3.2
69.23619	3.1
79.32278	2.7
80.29333	2.7
91.71658	5.2
114.55997	3.3
123.82513	3.2
204.80762	3.9
255.10445	5.1
300.39758	4.4
361.14984	4.0
737.48090	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01850	2.1
80.97531	2.6
97.11678	3.0
125.05724	2.6
150.49294	2.8
151.37590	2.6
167.57007	3.0
234.76538	3.0
406.95450	3.3
617.44080	15.9
661.75409	3.8
677.46130	6.8
737.48053	100.0
753.66498	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	737.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13353	3.1
53.15704	3.2
98.25692	4.0
154.54987	4.7
168.27567	4.6
313.95419	4.8
328.38989	6.4
393.74130	4.3
413.87802	4.8
437.12924	4.6
438.96967	4.8
448.40140	4.8
516.52527	4.6
541.23810	4.9
609.38916	4.8
617.43707	11.8
650.39130	4.8
671.58984	6.5
677.45441	5.5
693.38385	4.7
737.48059	100.0
763.15771	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	739.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
63.12541	0.7
63.88146	0.7
69.97285	0.8
81.03410	6.6
83.04969	1.0
91.05484	1.8
94.04176	2.7
103.05431	0.8
107.04963	1.0
109.06490	0.9
115.05453	1.4
117.06998	1.7
122.03624	5.7
128.06238	1.2
129.07019	4.0
131.04938	2.7
137.05969	100.0
143.04866	1.4
145.06441	1.9
151.03897	3.0
157.06459	3.3
160.05113	2.0
161.05977	1.0
163.07495	1.3
172.56789	0.8
174.06718	1.6
175.07530	8.4
187.07521	5.7
189.09113	4.5
194.44847	0.9
201.09149	1.3
204.18813	0.9
205.08600	4.3
217.08644	3.7
269.08084	0.9
273.09048	0.9
311.09427	0.9
311.13660	1.0
443.14899	2.3
460.60785	1.0
551.43811	1.0
605.19238	1.0
606.43311	1.1
631.22510	1.1
646.84875	1.3
679.25116	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49421	1.4
67.22024	1.1
67.23114	1.1
69.09193	1.5
69.93777	1.3
71.27361	1.2
92.94360	1.5
130.70399	1.5
142.15105	1.3
307.67111	1.5
354.00534	1.5
497.63889	1.7
619.45410	14.8
679.47614	5.8
739.49554	100.0
740.49762	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	739.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
178.70393	1.7
185.12292	1.8
254.62970	1.8
259.79984	1.7
619.45703	15.2
679.47504	7.5
739.49622	100.0
740.49231	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	739.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81005	4.2
57.09278	5.5
66.64977	6.2
67.05485	8.4
69.07065	6.7
75.15441	5.5
76.63918	5.3
95.09620	5.8
109.10155	6.4
132.10197	10.8
383.23813	10.7
739.49652	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.2
53.03941	1.4
53.15035	1.3
55.01867	3.7
55.05504	16.2
57.03431	13.3
57.07063	3.8
64.87489	1.3
65.03917	2.0
67.05495	60.2
69.07063	16.9
71.04952	2.7
71.21390	1.4
73.02904	1.5
79.05482	33.6
81.03410	4.2
81.07044	60.1
83.04980	4.1
83.08611	12.5
85.02898	1.8
88.38517	1.3
91.05467	18.1
93.07031	64.9
95.04942	10.9
95.08596	66.5
97.02885	5.0
97.06503	4.3
97.10181	3.2
99.04446	4.3
105.07035	15.2
105.76281	1.4
107.04974	8.0
107.08589	40.0
109.06458	3.7
109.10148	15.4
109.52192	1.4
113.09637	1.7
117.07012	13.7
119.08582	14.7
121.06517	5.2
121.10139	26.0
123.11707	3.7
125.05969	2.0
130.07787	1.9
131.08574	4.1
133.10115	6.3
135.08028	2.5
135.11685	48.0
139.07536	2.1
145.10118	25.4
147.04440	3.6
147.11688	3.8
149.13219	3.3
159.11731	2.3
161.13280	2.7
163.11162	52.6
173.13287	2.0
181.12257	6.4
217.83543	1.5
227.12761	52.1
261.22168	5.9
279.03833	1.6
283.15369	44.3
317.24933	3.3
335.25769	100.0
336.22330	1.9
336.26263	4.4
339.43182	1.8
543.36786	60.0
544.37323	2.3
692.43213	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	740.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
54.58847	1.7
55.01849	5.5
55.05506	16.7
57.03428	14.9
57.07048	2.6
61.02916	2.3
61.12272	1.8
65.03923	3.7
67.05495	66.7
69.03400	4.1
69.07059	21.5
71.04977	5.2
73.02904	2.8
79.05484	49.4
81.03381	3.9
81.07043	71.4
83.04965	6.0
83.08605	13.3
91.05466	20.7
93.07035	77.9
95.04958	11.4
95.08595	92.7
97.02885	8.2
97.06498	6.2
97.10131	2.2
99.04441	7.5
101.82695	2.3
104.42718	2.0
105.07012	19.8
107.04967	11.6
107.08581	53.4
107.09278	4.0
109.06519	3.8
109.10149	19.2
111.08054	3.4
117.07017	16.8
119.08577	21.2
121.06490	7.7
121.10126	36.8
123.11652	4.1
125.05946	2.6
131.08635	4.8
133.10117	9.1
135.08023	3.0
135.11688	67.4
145.10109	45.8
147.04417	4.5
147.11694	3.7
149.13210	2.9
163.11151	77.7
163.12485	4.6
181.12297	13.0
209.11703	4.1
227.12753	80.0
243.21048	3.5
261.22183	8.3
283.15363	100.0
335.25745	85.5
340.62994	2.5
357.18253	2.7
543.36737	73.6
568.24390	3.1
585.55798	2.4
681.38885	3.0
719.39636	2.5
740.48804	3.0
765.75018	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	741.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27703	0.4
53.74941	0.4
53.88432	0.5
54.56949	0.5
65.03928	0.6
69.03416	1.4
71.04977	1.2
74.41870	0.4
81.03411	3.5
82.46067	0.4
83.04938	1.8
85.02885	2.4
86.09737	0.6
91.05473	8.6
95.04983	0.8
95.94324	0.6
97.02873	1.7
99.04454	0.7
100.27732	0.5
107.04934	2.4
109.02858	1.3
111.04422	1.0
119.04934	21.3
121.02861	1.5
123.04487	0.7
127.03895	0.8
147.04404	100.0
147.64136	0.5
148.04726	0.9
151.03908	1.6
165.05466	4.8
172.44131	0.6
189.05450	0.6
213.09064	0.9
235.90034	0.6
257.08051	2.8
287.05499	7.0
291.08508	3.2
309.09784	2.7
329.06540	1.2
340.82208	0.6
343.08701	0.5
433.11273	0.7
486.46191	0.7
579.10742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.202
Annotation	Kaempferol 3-[6'''-p-coumarylglucosyl-(1->2)-rhamnoside]
Peak:m/z	Relative Intensity
53.03943	0.3
53.27811	0.2
55.01863	0.2
62.25719	0.2
64.78514	0.3
65.03919	0.9
69.03423	2.7
71.04988	0.5
81.03405	2.0
83.04962	2.3
85.02885	2.0
88.00435	0.2
91.05467	10.2
95.04937	0.3
95.41373	0.2
97.02887	1.4
99.04436	0.3
105.07017	0.6
107.04951	2.2
109.02840	1.1
111.04451	1.2
115.05456	0.9
117.32462	0.2
119.04932	29.2
121.02864	1.0
123.04426	0.7
127.03928	0.7
129.05460	0.4
131.04936	0.3
133.06505	0.9
141.06966	0.3
143.04915	1.1
145.06528	0.4
147.04396	100.0
148.04735	0.8
151.03886	1.6
153.01855	0.6
157.06520	0.6
157.24747	0.3
159.04434	0.5
160.05055	0.2
161.05943	1.9
165.01753	0.3
165.05461	2.7
165.06895	0.4
169.05042	0.4
171.04381	3.3
173.05966	0.8
175.03862	0.6
177.05460	0.9
183.04370	0.3
183.08014	0.4
185.05988	0.9
187.07483	0.5
189.05453	4.8
190.93941	0.2
197.05983	0.6
200.06985	0.3
201.05467	0.4
211.07466	1.1
213.05418	1.7
215.06918	0.5
229.08678	0.4
231.06537	0.3
239.07018	2.1
257.08051	2.2
264.84009	0.3
275.09152	1.7
276.02438	0.2
287.05463	16.1
288.05600	0.3
291.08539	0.7
293.10184	5.9
299.05518	0.5
309.09702	0.9
329.06509	1.6
353.06439	0.4
397.09335	0.6
415.10153	0.3
433.11292	0.7
437.14691	0.4
455.15479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2022
Annotation	Kaempferol 3-[6'''-p-coumarylglucosyl-(1->2)-rhamnoside]
Peak:m/z	Relative Intensity
52.19329	0.2
53.03951	0.2
55.05515	0.2
57.03434	0.2
62.64888	0.3
65.03920	1.1
69.03419	2.0
71.04974	1.1
74.74202	0.2
81.03408	3.4
83.04973	2.6
85.02901	1.5
91.04922	0.5
91.05473	8.0
95.04960	0.4
97.02892	1.3
97.03403	0.3
99.04436	0.4
107.04942	2.4
109.02858	1.2
111.04414	1.4
119.04931	22.3
121.02853	0.8
123.04437	0.6
127.03910	0.6
128.65976	0.3
129.05476	0.3
142.63623	0.2
147.04398	100.0
148.04721	0.7
149.06003	0.4
151.03847	1.5
161.06038	0.4
165.05457	5.2
165.06854	0.3
169.04968	0.6
171.84801	0.3
186.20844	0.3
197.06041	0.4
213.09077	0.6
215.07195	0.3
237.62994	0.3
239.07072	0.4
257.08026	2.3
287.05463	4.7
291.08636	2.8
299.05453	0.7
309.09753	1.7
311.05661	0.4
319.44559	0.4
329.06543	1.7
353.06464	0.4
397.09171	0.9
405.98651	0.3
433.11218	1.0
434.21808	0.3
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	Kaempferol 3-[6'''-p-coumarylglucosyl-(1->2)-rhamnoside]
Peak:m/z	Relative Intensity
53.27703	0.4
53.74941	0.4
53.88432	0.5
54.56949	0.5
65.03928	0.6
69.03416	1.4
71.04977	1.2
74.41870	0.4
81.03411	3.5
82.46067	0.4
83.04938	1.8
85.02885	2.4
86.09737	0.6
91.05473	8.6
95.04983	0.8
95.94324	0.6
97.02873	1.7
99.04454	0.7
100.27732	0.5
107.04934	2.4
109.02858	1.3
111.04422	1.0
119.04934	21.3
121.02861	1.5
123.04487	0.7
127.03895	0.8
147.04404	100.0
147.64136	0.5
148.04726	0.9
151.03908	1.6
165.05466	4.8
172.44131	0.6
189.05450	0.6
213.09064	0.9
235.90034	0.6
257.08051	2.8
287.05499	7.0
291.08508	3.2
309.09784	2.7
329.06540	1.2
340.82208	0.6
343.08701	0.5
433.11273	0.7
486.46191	0.7
579.10742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2232
Annotation	Kaempferol 3-isorhamninoside
Peak:m/z	Relative Intensity
57.03417	2.1
57.15551	0.6
64.14425	0.6
69.03403	2.3
71.04618	0.9
71.04984	17.7
73.02901	1.2
75.04447	0.7
75.56310	0.6
81.03397	1.1
83.04980	4.2
83.05392	0.5
85.02898	23.5
87.04456	1.0
91.71123	0.8
97.02866	2.1
99.04451	1.2
103.23887	0.7
109.02865	1.0
111.04442	3.9
116.60158	0.7
117.05476	1.2
121.02850	2.2
129.05460	4.9
137.02328	0.9
141.37935	0.7
147.06595	1.0
153.01810	2.1
153.05423	0.8
165.01849	1.1
203.06801	0.8
241.33466	0.7
259.05853	0.9
260.83566	0.7
287.05478	100.0
288.05948	2.0
449.10776	1.8
568.42554	0.8
633.86548	0.8
676.29706	0.8
696.69458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
68.53111	12.2
70.65289	9.7
95.89212	12.3
115.05383	14.4
131.04973	12.6
133.08415	13.9
137.05946	100.0
140.76427	13.8
189.09079	16.8
201.09155	16.8
206.32698	13.4
282.40347	15.6
422.00467	17.3
527.20319	18.5
539.20551	60.3
652.28357	18.0
741.28101	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	741.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08303	5.2
60.86421	6.7
63.66553	5.8
72.65496	7.2
74.82608	6.4
78.26734	5.4
81.74719	6.5
85.28725	5.8
91.05452	8.8
94.04167	9.1
100.11218	7.3
117.98815	6.2
122.03626	9.5
129.07021	11.5
131.08589	8.5
137.05966	100.0
148.79758	7.4
159.08015	10.7
162.55090	7.5
173.17763	6.5
174.06818	11.3
175.07671	11.4
182.53651	7.0
187.07559	22.2
189.09099	18.3
199.07539	10.8
201.09126	13.7
219.08284	7.9
219.10155	31.1
227.94243	7.0
308.65857	7.4
385.68707	8.1
527.20636	20.7
539.20331	9.5
557.21393	13.0
631.03870	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	741.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07054	6.2
85.07626	4.0
91.05468	6.9
94.04167	7.5
122.03637	12.2
128.40472	4.7
129.07045	6.5
131.04858	7.5
134.50301	5.8
135.04448	6.7
137.05960	100.0
149.02391	5.2
151.03902	21.4
151.07605	9.7
157.06511	9.0
162.62337	6.1
172.24521	4.9
174.06715	7.6
186.06696	5.4
187.07500	13.4
189.09085	10.3
201.09079	9.3
219.10167	21.3
246.78160	6.1
377.75705	6.4
470.87152	6.9
557.21478	22.9
741.27740	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20422	7.9
53.03924	9.0
55.01865	13.5
55.05507	67.3
57.03421	13.6
57.07045	32.3
65.20699	8.6
67.05487	43.3
69.07057	94.7
70.06585	11.3
71.08614	18.9
72.01479	8.2
79.05466	25.3
81.07040	73.1
83.08607	58.6
88.55013	9.8
91.05476	44.3
93.07033	45.1
95.08604	35.2
97.10163	38.0
98.98495	11.4
105.07025	47.6
107.08604	20.5
109.10118	10.7
111.11699	12.6
116.07083	10.2
117.06992	16.2
119.08588	44.4
121.10168	18.4
131.08574	31.1
131.95497	11.5
133.10143	31.5
135.11713	11.8
138.94179	11.7
145.10075	15.9
147.04399	23.5
147.11687	20.5
159.11653	15.6
161.13214	14.6
171.11555	15.6
175.14905	11.2
199.14783	16.2
241.19601	26.9
259.20557	30.2
311.25772	71.5
313.21631	20.6
315.23376	22.2
569.45508	100.0
752.03723	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	58.1
57.03433	8.7
57.07059	25.2
65.85696	5.7
67.05497	35.8
68.12637	6.2
69.07066	78.6
71.08609	16.2
77.89087	6.5
79.05491	17.4
81.07049	47.9
83.08625	44.7
91.05480	43.4
93.07020	35.8
95.08601	40.6
97.10173	42.1
105.07037	47.8
107.08595	19.0
109.10111	7.0
114.88537	6.9
117.07044	13.3
119.08576	44.2
121.10107	17.9
124.26357	7.5
129.06953	9.7
131.08543	23.8
133.10112	22.0
143.08540	9.5
145.10123	22.8
147.04379	9.5
147.11681	22.9
157.10155	9.2
159.11673	16.3
161.13243	22.2
171.11696	10.3
173.13246	11.9
175.14801	15.3
199.14903	7.4
217.19586	9.3
241.19434	39.4
259.20547	10.1
311.25784	50.7
313.21588	14.6
315.23260	11.5
333.24313	8.5
471.77908	8.6
484.28073	9.5
554.76953	8.3
569.45514	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2032
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
54.72071	0.4
55.01855	0.8
55.05492	0.4
57.03427	3.8
61.02913	1.2
69.03422	4.6
70.06557	0.7
71.01374	0.8
71.04625	0.8
71.04990	11.4
73.02900	2.7
75.04482	1.0
80.71735	0.4
81.03400	0.9
83.04979	2.2
85.02897	21.3
85.62954	0.4
86.06054	0.5
93.03404	0.6
95.04916	0.5
97.02429	0.4
97.02891	4.5
99.04416	0.5
109.02863	0.9
111.00799	1.3
111.04414	1.3
115.03906	2.7
118.72452	0.4
121.02840	0.9
127.03905	1.1
129.05486	4.7
133.04973	0.8
137.02321	3.2
145.04962	1.6
147.06604	0.9
153.01794	3.4
155.57587	0.4
163.03836	0.7
165.01830	1.8
201.05510	1.3
229.04941	3.5
247.05972	0.9
257.04416	1.5
274.04657	0.6
279.10773	0.4
285.03830	0.8
303.04968	100.0
304.05344	2.2
345.06033	0.6
384.44550	0.8
464.98022	0.5
465.10291	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.9
55.01863	1.3
57.03424	2.0
59.33551	0.9
62.64243	0.8
69.03420	10.5
71.04977	4.2
79.05479	1.3
81.03417	13.4
81.07031	1.7
83.04966	4.5
83.56039	1.1
85.02892	9.5
87.04517	1.1
89.84691	1.2
91.05479	2.2
92.54996	1.0
95.04966	2.1
97.02890	7.5
99.04440	5.6
107.04948	100.0
109.02870	9.1
111.04446	3.2
115.05435	1.7
117.07025	2.2
118.42460	1.1
119.04935	4.5
121.02846	3.0
121.06510	3.7
123.04440	1.6
127.03917	18.0
128.06262	1.8
129.05470	1.1
131.04922	22.9
144.05704	1.8
145.04938	3.5
145.06483	8.6
147.04398	16.0
147.07840	1.2
148.04758	4.8
149.04921	1.6
149.05971	12.6
149.39198	1.1
151.03873	1.7
153.01801	1.9
157.06470	3.5
159.08076	1.2
161.06017	3.2
171.08008	2.4
173.05969	46.4
175.03935	1.2
175.07497	1.6
179.07045	1.2
187.07550	4.1
191.07039	4.5
191.15472	1.2
199.07573	6.4
211.07649	1.5
215.07056	16.3
217.08562	2.3
223.13724	1.2
231.06297	1.2
233.08247	2.3
239.06990	2.3
241.08665	3.0
257.08157	1.8
259.09650	3.9
272.76376	1.2
275.09109	1.9
281.08136	3.1
287.05475	56.8
288.05850	2.7
293.10089	1.6
299.09064	1.9
317.10117	2.2
329.06564	2.6
347.98059	1.2
359.11407	1.2
433.11166	1.5
576.02734	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88386	1.9
53.03927	2.6
53.30033	2.1
55.01850	4.7
55.05504	17.9
57.03418	8.8
61.02912	23.2
65.03931	2.7
65.98841	2.1
67.05496	40.3
69.03416	16.6
69.07063	16.1
73.02901	12.5
75.91313	2.4
79.05484	21.2
81.03394	5.5
81.07047	36.6
83.08611	10.3
85.02894	26.5
91.03942	8.6
91.05458	26.6
91.70967	4.6
92.88711	2.8
93.07031	28.1
95.04964	4.7
95.08595	37.7
97.02895	20.0
97.06514	3.5
97.10123	2.5
97.54942	2.4
105.07020	28.2
107.08587	17.2
109.10169	10.5
117.07018	14.7
119.08583	22.9
121.10153	9.9
127.03889	3.4
128.06203	4.7
129.06989	15.4
131.08519	16.3
133.10156	11.9
135.11722	6.7
141.07011	7.6
142.07747	5.0
143.08540	20.6
145.10112	21.2
147.11684	10.5
149.09598	3.3
155.08580	13.8
157.10109	18.7
159.11681	15.2
161.13306	4.1
167.08553	10.0
169.10103	23.1
171.11670	16.6
173.13292	7.4
175.14841	2.5
181.10150	10.9
183.11665	15.2
185.13164	12.0
187.14818	8.4
193.10080	4.4
195.11713	10.4
197.13263	8.7
199.14815	7.0
201.16277	3.6
207.11745	4.7
209.13243	11.4
211.14835	10.6
213.16434	5.0
221.13402	4.7
223.14857	8.3
225.16386	5.6
227.18045	3.2
233.13155	3.8
234.38254	2.6
235.14903	3.3
237.16383	6.3
239.17996	3.3
251.17992	4.8
253.19644	3.6
263.77805	2.7
277.19492	3.3
283.76514	2.8
489.36942	7.9
502.17905	3.2
563.40833	8.1
581.41968	100.0
582.41986	5.1
743.46967	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	744.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95144	2.3
55.05491	11.4
55.79176	2.6
64.67547	3.2
66.20918	2.6
67.05495	54.0
69.07056	17.8
77.31032	3.2
79.05481	28.6
81.07049	60.3
83.04980	3.1
83.08597	9.9
91.05476	33.5
91.71706	3.3
93.07038	43.8
95.04971	6.6
95.08598	44.4
97.06526	5.0
97.10143	4.6
105.07033	18.3
107.08588	19.5
109.10155	10.9
119.04935	24.1
119.08597	17.0
121.10153	34.6
123.11674	4.5
125.09586	3.4
131.08556	16.2
133.10123	10.7
135.11679	21.6
142.07986	3.9
145.10153	14.0
147.04398	100.0
147.05513	5.8
147.11691	5.7
149.13272	6.1
150.98036	3.3
154.03198	3.2
159.11684	7.2
165.05412	4.1
175.14784	4.7
215.17610	3.4
231.42261	3.5
249.11649	3.9
277.21591	3.7
354.70728	4.1
467.38797	15.1
485.39890	43.6
503.40771	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	745.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87202	1.5
55.05492	4.6
57.03417	4.8
61.02916	9.5
63.88712	1.5
67.05491	15.6
69.03413	9.8
69.07056	5.9
70.89135	1.9
71.04971	2.5
73.02901	7.1
79.05471	7.9
80.01869	1.9
81.03396	3.0
81.07046	15.7
85.02888	12.4
91.03954	6.6
91.05463	9.2
91.71673	4.4
93.07029	12.8
95.08614	14.7
95.80389	1.9
97.02882	13.5
99.04460	2.1
101.02382	2.5
105.07045	5.0
107.08587	6.1
109.10149	3.2
117.06990	1.9
119.08571	5.6
121.10139	6.4
127.03939	3.7
131.25076	2.5
133.10056	2.3
135.11664	4.2
141.37718	2.1
143.08638	2.2
145.10136	2.6
159.11644	3.5
163.11163	4.4
227.12924	2.3
243.08342	2.2
249.10886	18.5
308.66641	2.1
467.19006	5.6
519.29260	9.5
583.43628	10.7
745.41101	100.0
746.42133	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	745.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.5
53.38725	1.6
55.05516	1.9
61.02936	6.2
67.05496	9.2
69.03432	6.3
69.07059	3.1
73.02917	5.7
79.05508	6.9
81.03433	2.2
81.07053	9.5
83.08648	2.6
85.02871	9.4
91.03975	4.2
91.05510	3.7
91.71638	2.1
93.07030	10.5
95.04972	3.1
95.08605	9.6
97.02911	6.6
101.02403	2.6
105.07023	3.2
107.08631	6.9
111.02106	1.7
112.65342	1.8
112.86572	1.7
116.91761	1.7
119.08607	3.2
121.10157	2.2
124.88268	1.8
127.03992	2.3
135.11757	7.9
140.84361	1.9
145.10156	4.2
163.11227	6.8
164.92508	2.3
177.22751	1.9
219.10027	2.9
227.12788	5.2
249.10942	17.5
305.13596	2.8
467.18628	12.9
519.29248	5.6
661.62927	2.9
745.41309	100.0
746.41003	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	745.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34825	6.5
54.98192	5.8
55.05490	25.9
57.03124	6.5
57.03419	14.8
57.07060	6.9
60.61385	6.0
61.02913	11.9
62.79585	6.1
67.05493	100.0
69.07054	23.7
73.02914	6.8
79.05494	47.9
81.07043	83.3
83.08607	9.2
85.02892	14.1
85.06563	9.5
91.05466	66.7
91.71015	14.0
93.07017	70.2
95.04960	8.1
95.08599	54.0
97.02874	7.2
105.07023	50.6
107.08598	33.2
109.10187	24.2
117.07032	17.4
119.08562	48.1
121.10140	32.0
129.07014	23.9
131.08591	33.5
133.10126	60.2
135.11687	21.7
141.08899	7.5
142.28352	9.4
143.08575	16.4
145.10129	32.8
147.04425	10.1
147.11700	36.8
157.10120	23.2
159.11720	16.5
169.10098	13.6
170.01207	8.6
171.11723	26.7
173.13306	20.8
183.11771	9.3
185.13118	11.4
185.42632	7.8
203.17973	10.3
213.16400	30.7
231.17471	35.1
241.44894	9.3
305.20987	10.3
307.22601	10.5
335.25873	31.5
341.54745	9.7
375.27264	9.2
425.80698	10.4
583.43231	39.2
634.58478	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	745.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01859	6.8
55.05495	27.2
57.03424	18.3
57.07056	6.1
61.02512	4.4
61.02903	11.3
67.05493	93.1
69.03420	5.5
69.07052	16.6
72.78360	4.4
73.02921	5.5
79.05489	68.0
80.38729	5.8
80.83027	4.8
81.07041	78.5
83.08614	13.5
83.37810	4.6
85.02898	13.3
91.05476	72.8
93.07035	100.0
95.04939	21.2
95.08596	63.5
97.02871	9.7
97.06549	7.5
105.07023	77.5
107.04902	5.6
107.08595	38.8
109.06496	8.8
109.10159	30.7
112.76265	5.4
115.12491	5.0
117.07045	27.5
119.08581	49.9
121.10161	47.6
123.08060	5.9
123.11808	7.6
129.06975	10.6
131.08534	34.7
133.10120	48.1
135.11664	23.5
137.13269	6.7
143.08568	11.0
145.10141	41.9
147.11684	31.9
149.13307	11.5
151.11095	5.9
157.10156	12.2
159.11708	20.1
161.13274	20.4
171.11739	20.8
173.13257	12.5
175.14769	8.3
185.13321	12.3
197.13326	6.3
213.16388	13.2
215.18178	6.6
241.19516	19.5
259.20651	28.2
281.25980	6.7
307.22614	50.2
333.24335	20.9
441.87543	6.5
491.78040	6.9
548.74036	6.8
579.75800	7.1
583.43317	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	745.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.2
55.05519	21.7
57.03431	6.7
61.02942	6.8
61.84399	5.4
67.05492	95.6
67.05821	5.9
69.07075	19.1
71.05003	5.8
79.05482	67.6
81.03422	9.3
81.07050	100.0
83.04960	8.2
83.08614	8.3
85.02899	10.3
91.05475	76.3
91.05983	8.5
93.07043	90.2
93.07565	8.3
94.80820	6.8
95.04971	13.9
95.08596	49.2
97.02942	10.8
97.06549	8.1
104.88435	6.2
105.07009	59.9
107.08575	33.0
109.10197	24.8
117.06295	7.0
117.07098	22.8
119.08573	47.8
121.10160	41.4
128.25757	6.3
129.07022	12.4
131.08606	27.7
133.10121	45.4
135.11742	23.0
143.08595	10.4
145.10133	36.8
147.11734	32.2
149.13275	9.9
155.08545	7.8
157.10167	12.8
159.11760	21.1
161.13324	26.5
169.10280	7.1
171.11713	13.5
173.13301	12.9
211.14897	8.7
213.16464	11.0
219.84712	6.6
223.76437	7.3
229.51152	8.3
241.19629	19.9
244.84328	7.0
259.20697	30.7
307.22775	42.9
333.24332	15.3
335.93045	7.2
583.43652	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	745.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01864	6.0
55.05504	31.5
57.03426	16.7
57.07063	8.6
61.02910	18.2
61.55641	3.5
65.03917	7.2
67.05495	93.4
69.03419	10.2
69.07059	33.2
73.02899	7.9
75.78529	3.5
77.03942	4.9
79.05489	64.1
81.03405	10.1
81.07047	100.0
83.04967	9.2
83.08611	13.1
85.02891	11.6
85.06541	9.5
91.03905	6.0
91.05473	94.9
93.07037	86.9
95.04953	17.4
95.08599	67.1
97.02852	10.9
97.06536	8.0
97.10165	5.2
105.07021	83.3
107.04944	7.0
107.08596	36.8
109.06517	8.7
109.10168	30.4
115.05472	4.1
117.07001	31.1
119.08566	66.7
121.10150	30.0
123.11701	10.0
128.06163	8.5
129.06987	24.3
131.08556	37.7
133.10121	83.7
135.11658	27.8
141.06912	6.6
142.07784	7.6
143.08534	33.2
145.10097	39.6
147.11674	57.4
149.13301	7.0
149.40475	5.0
155.08517	6.4
156.72269	4.5
157.10085	26.1
159.11667	28.1
161.13257	14.2
167.08533	4.6
169.10115	6.8
171.11644	34.3
172.12535	4.3
172.14052	4.3
173.13255	8.4
175.11180	5.6
175.14948	6.0
181.10072	7.3
183.11607	6.3
185.13268	14.8
187.14854	13.3
189.16391	5.3
195.11572	7.3
197.13219	7.1
203.18015	9.6
213.16432	44.4
215.17830	6.5
231.17426	47.8
243.17523	4.6
287.19702	4.5
305.21103	17.0
307.22672	7.2
335.25754	38.5
392.67535	4.3
392.74066	4.1
491.38495	6.2
583.43329	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	745.5396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	7.2
55.05502	79.3
57.07056	20.0
62.47576	6.0
67.05499	92.6
69.07051	83.6
71.08624	17.9
74.68663	6.3
79.05465	20.6
81.07041	100.0
83.08591	44.1
85.01147	7.1
91.05444	13.4
91.12811	8.0
91.71793	7.2
93.07038	32.9
95.08595	86.4
97.10170	24.4
105.06965	8.3
107.08605	16.5
107.26966	7.6
109.10162	43.4
113.03080	7.4
119.08525	8.0
146.39128	8.0
146.91351	7.9
159.23209	8.8
160.73694	7.7
197.05994	10.1
211.07596	21.9
221.05939	13.5
223.07530	21.0
225.05490	26.8
225.09093	30.9
235.07535	17.2
237.09180	34.3
237.76076	8.5
239.07013	21.0
241.04979	14.2
247.07651	13.2
249.05540	15.7
249.09126	20.3
251.07037	16.1
251.10719	25.0
255.06497	24.0
261.09030	16.2
263.07108	21.0
263.10602	11.3
265.08649	32.6
267.02890	8.6
267.06516	22.7
269.04556	18.9
275.10660	11.4
277.08609	17.4
279.06598	17.5
279.10184	12.2
281.08023	18.7
291.09970	9.8
295.09631	14.5
319.13235	9.6
455.26315	12.3
473.26688	48.8
491.27985	76.1
709.51465	36.3
727.52521	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	746.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93525	15.6
67.05501	30.4
79.19009	9.0
81.07070	25.3
90.44302	7.4
91.05473	9.2
91.71015	15.1
95.08627	22.3
109.10205	13.4
113.96463	8.7
121.10208	12.7
123.27811	10.4
125.93871	9.2
147.04472	23.2
192.99297	8.8
203.21599	11.5
218.97517	13.2
218.99664	8.8
220.98952	15.2
221.01163	10.6
226.59665	10.4
232.99039	24.8
239.55853	8.3
241.99127	14.8
242.99799	14.0
251.00125	12.2
256.00589	17.7
325.09027	12.9
356.18030	11.7
366.11557	10.4
369.95239	10.0
381.15411	19.1
383.16757	13.1
399.16071	71.1
400.16656	16.2
424.19342	26.2
440.18735	100.0
441.19650	35.3
643.34332	12.4
710.40039	11.8
728.40271	57.7
746.41699	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	746.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30961	8.3
54.31234	9.9
55.05498	17.3
56.01582	9.6
57.03422	24.0
60.04503	13.4
64.23247	10.2
66.01048	11.0
67.05491	69.1
67.49978	11.5
68.12568	11.3
79.05478	33.1
81.03402	100.0
81.07043	64.6
83.08611	17.0
91.05479	44.8
93.07021	51.8
95.04955	43.2
95.08611	36.7
98.48058	11.5
105.07028	55.8
107.08583	34.9
109.10156	13.8
119.08582	25.7
121.10142	46.0
127.83423	13.3
129.06999	19.4
131.08601	22.6
135.11693	25.4
145.10097	29.7
159.11700	17.1
173.13225	16.9
193.12323	23.1
222.11888	13.6
233.19025	20.7
246.76266	13.4
248.81976	12.4
252.32549	13.3
267.15921	91.9
307.22726	57.2
400.85355	14.7
440.03281	15.4
499.34259	30.5
542.92865	13.5
721.20819	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	746.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	20.9
57.03415	7.2
57.07068	6.0
62.94452	4.1
63.91207	4.5
67.05170	8.1
67.05498	100.0
68.46796	4.6
69.07067	24.4
70.23163	4.7
74.24920	5.1
79.05483	38.2
80.58893	4.2
81.07053	77.7
83.04990	4.5
83.08625	24.8
85.06522	6.3
89.06020	6.4
91.05479	38.8
93.07036	64.9
95.04934	5.3
95.08607	78.2
97.06521	9.4
99.08089	5.7
105.07031	20.7
107.08611	34.9
109.10159	27.8
111.08084	5.9
111.11707	5.0
119.08534	23.3
121.10139	66.5
123.11722	8.9
131.08577	13.0
133.08560	6.6
133.10124	44.3
135.11678	27.6
137.09630	10.6
145.10167	13.3
147.11691	14.5
149.09659	10.9
151.11211	14.8
203.17889	5.7
213.16318	11.0
215.17853	4.9
231.17490	5.6
233.19221	5.6
242.05376	4.8
249.18488	24.9
251.19980	4.8
299.76367	5.6
307.22626	8.1
323.22186	61.3
325.23660	36.2
341.23297	36.5
385.25714	11.1
401.25415	11.8
573.41467	7.9
591.42468	36.3
651.44354	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	746.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	14.3
57.07057	4.8
57.47337	2.3
59.02002	2.6
67.05498	78.1
69.07059	17.5
77.52502	2.3
79.05486	22.6
81.07049	100.0
83.08604	19.0
89.74088	2.4
91.05470	29.0
93.07034	36.6
95.08601	68.5
97.06501	6.1
97.10154	11.3
97.81837	2.3
105.07033	10.1
107.08586	23.7
109.10149	38.0
111.08067	5.2
111.11732	3.8
115.89958	2.5
117.06984	2.4
119.04965	20.9
119.08568	14.0
120.67300	2.7
121.10135	36.9
123.11727	19.3
129.85959	2.9
131.08559	11.1
133.10114	21.1
135.11693	23.3
137.09596	4.4
137.13264	6.0
145.10124	5.6
147.04395	67.6
147.05519	4.6
147.11685	3.0
149.13319	6.1
151.11197	7.4
159.11642	6.6
165.05470	4.3
174.75612	2.5
199.54166	2.5
215.17964	17.6
233.19038	15.4
237.22029	3.9
251.20023	35.7
264.34326	2.9
269.21045	4.1
285.76865	3.4
430.21692	3.6
469.40408	29.7
487.41483	11.5
505.42770	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	746.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	13.1
61.03372	3.0
63.01831	3.1
65.03925	3.2
67.05497	88.5
69.07049	13.4
71.04984	3.7
79.05478	20.6
81.07049	100.0
82.11487	3.6
83.08611	14.1
90.47154	3.3
91.05466	27.1
93.07033	33.5
95.04947	3.2
95.08598	69.2
97.06531	5.5
97.10159	15.0
101.69455	3.4
105.07030	11.2
107.08586	20.8
109.10154	33.7
111.08086	4.3
119.04933	29.5
119.08577	10.5
121.10118	34.2
123.11716	22.2
131.08565	9.7
133.10110	21.5
135.11674	22.3
137.13268	6.4
145.10158	7.3
147.04407	87.3
147.11707	8.7
149.13254	10.7
151.11234	8.4
159.11766	4.4
180.22609	3.4
215.18024	13.7
216.91476	3.5
219.21004	4.8
233.18999	13.5
237.22179	6.3
248.38358	3.6
249.18784	6.0
251.20064	22.8
261.12683	4.5
469.40274	38.4
487.41223	5.2
533.52026	4.2
746.37726	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	746.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	21.0
60.75512	6.2
67.05494	60.6
69.07057	17.1
77.45189	8.5
81.07050	100.0
83.08620	20.0
89.06010	13.7
91.05467	31.5
91.71021	8.0
92.05109	8.5
93.07036	33.7
95.08601	69.6
97.06559	8.2
97.10188	12.9
105.07006	12.3
109.10136	46.6
119.04958	17.9
119.08559	9.9
121.10139	37.8
123.11705	21.3
133.10149	15.6
135.11693	18.1
135.78922	8.4
137.13239	8.9
145.10095	12.0
147.04382	76.7
178.11469	8.9
193.41888	8.4
215.18126	11.3
233.19048	14.7
251.20078	31.6
269.21130	9.8
284.47574	9.8
469.40411	19.9
471.89148	10.4
487.41537	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	746.5619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04818	7.9
54.91991	9.9
57.07067	100.0
66.74495	8.6
69.07046	13.8
71.08617	53.0
73.06530	13.0
85.10166	37.7
87.04446	17.6
89.06022	96.1
99.62621	11.6
130.08641	29.7
130.19774	11.3
132.10202	25.0
133.08594	99.9
161.90842	9.8
177.11197	26.5
226.72235	12.6
270.91602	10.4
541.00134	14.1
671.75134	12.2
708.84393	12.4
776.94037	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	746.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19860	9.1
55.19979	11.6
57.07065	71.8
71.08621	64.8
73.06541	15.0
85.10168	51.6
87.04450	13.5
89.06027	100.0
100.79462	11.7
111.76134	12.3
115.29733	11.4
117.09126	24.0
130.08630	28.9
132.10289	12.9
133.08566	78.5
143.55362	11.9
151.38429	12.3
177.11182	25.7
188.11441	13.1
756.32111	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	747.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
71.59865	4.3
92.38071	4.6
94.04208	5.6
95.04960	4.6
111.00787	4.3
122.03650	9.5
123.54546	4.8
127.03904	21.9
134.64517	4.4
137.05963	100.0
138.05510	10.6
139.03899	76.1
151.03917	15.5
163.03920	14.6
177.05386	6.3
189.05408	5.8
191.03340	13.7
197.06052	6.2
203.03401	8.8
205.04901	7.1
212.04813	9.0
213.05466	11.1
227.07028	14.6
229.04790	5.7
237.05461	7.3
255.06534	10.3
257.04498	10.0
270.95935	5.1
273.07571	36.2
275.05463	16.1
287.05551	9.6
294.78714	5.7
299.05539	9.5
308.40024	5.0
315.08618	15.4
317.06628	10.8
333.79446	6.0
423.10757	6.3
425.08795	7.8
453.11758	9.2
457.97479	5.9
685.94269	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	747.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.9
56.26028	1.0
56.70364	1.0
57.02217	1.0
58.33847	0.9
65.03920	1.6
67.05486	3.3
68.99792	3.7
76.55403	1.1
78.90369	1.1
87.70363	1.1
93.03395	1.5
94.04173	2.0
95.02801	1.5
95.04943	2.2
111.04454	2.0
122.03658	4.8
123.04407	8.3
127.03919	5.1
133.02884	1.6
137.05966	42.8
139.03894	100.0
144.56366	1.4
147.04405	2.0
151.03891	29.2
157.06548	1.6
161.05988	1.9
163.03906	4.4
169.06483	4.6
175.03867	10.8
177.05443	2.0
179.03380	46.7
183.04453	3.2
189.05414	5.0
191.03386	2.0
197.05937	2.4
201.05461	1.8
203.03389	11.1
206.01254	1.4
211.03984	2.8
213.05461	5.7
213.07236	1.4
215.03253	1.5
215.07155	1.4
217.04915	1.8
225.05589	2.6
227.03516	2.1
229.04967	5.8
231.06396	2.6
243.06438	2.9
245.04488	6.9
253.04985	1.7
257.04367	6.9
263.05347	2.2
263.09015	6.4
271.05994	12.0
275.05582	2.1
287.05637	7.0
299.05487	41.3
305.06604	2.0
307.08203	2.7
314.06180	1.7
317.06537	54.1
399.10455	2.0
423.10757	5.0
425.08990	2.5
437.08389	1.9
441.11575	6.5
443.09344	1.6
461.52896	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	747.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10157	3.8
67.05482	6.8
76.73034	4.2
79.88267	4.3
86.42905	4.6
93.03426	5.0
103.45027	4.4
122.03651	5.2
123.04430	8.3
137.05949	44.2
139.03885	100.0
140.85953	5.3
147.04385	8.3
151.03871	28.6
163.03888	5.5
175.03847	9.4
179.03380	38.8
183.04436	5.4
189.05496	7.6
191.03404	7.5
201.05615	5.8
203.03490	11.8
209.52451	5.0
213.05280	7.9
215.03514	5.7
217.04861	6.7
229.04959	11.2
231.06471	9.6
235.45810	5.6
245.04454	10.4
257.04401	17.4
271.05896	7.4
275.05594	6.6
281.04419	6.1
287.05539	11.9
289.06790	5.5
299.05530	58.1
317.06622	39.1
399.10678	12.1
423.10770	9.8
429.34235	4.9
437.08569	7.5
494.54269	6.5
561.13159	6.7
586.42151	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	747.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.7
56.18671	3.2
56.26542	3.4
61.45286	3.0
64.55795	3.5
109.02905	5.3
111.04327	3.9
123.04417	7.6
127.03904	8.9
135.04417	6.5
137.05975	43.5
139.03897	100.0
143.48170	4.0
147.04515	6.6
151.03922	13.0
160.98213	5.0
163.03920	9.9
175.03870	6.6
179.03429	23.1
179.04753	4.0
189.05440	10.6
201.05516	6.8
203.03398	9.8
213.05545	6.7
225.05336	4.8
231.06360	5.1
245.04482	11.4
257.04471	18.9
269.04315	5.9
271.05856	5.3
275.05441	8.4
287.05542	15.7
299.05435	36.7
317.06531	29.2
399.10709	14.2
423.10645	7.5
471.45755	4.7
530.46643	4.8
561.13910	7.0
611.76837	5.1
714.30872	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	747.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56116	1.8
55.01856	2.4
68.99781	6.1
81.03396	4.3
82.41386	1.8
95.04943	2.7
107.04932	4.1
109.02898	9.0
111.00795	7.2
111.04433	2.8
123.04404	13.3
125.05981	15.4
125.81298	2.3
127.03911	100.0
133.02859	3.5
137.05989	24.4
139.03891	34.6
147.04405	8.0
151.03899	52.6
163.03827	9.9
169.04950	5.9
175.03903	15.1
177.05473	4.8
179.03383	29.0
185.05873	2.4
189.05458	3.6
193.04984	3.1
199.03860	3.1
203.03398	14.7
205.04881	5.1
206.97278	2.0
213.05437	3.6
215.03482	3.5
216.38193	2.3
217.05003	3.3
245.04378	4.8
257.04440	5.0
259.06262	2.2
263.05441	13.2
269.04413	9.5
275.09070	20.0
279.62253	2.1
287.05472	29.3
298.69974	2.2
299.05466	9.2
305.06473	6.4
311.05521	9.3
319.08041	22.2
329.06345	4.8
411.10538	3.7
435.10910	3.3
437.08582	6.6
443.13586	10.5
453.11581	6.0
456.07669	2.5
458.63736	2.4
481.66257	2.5
514.14880	2.3
561.13977	3.4
566.44049	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	747.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72205	4.2
56.96561	43.9
60.16270	4.5
61.71048	4.2
81.46560	5.0
84.96009	5.0
88.28931	4.7
89.46148	4.8
95.28168	5.0
98.97563	79.0
105.82047	6.2
109.94128	5.5
110.97533	10.4
112.99131	8.3
116.98627	37.8
128.98550	12.8
131.00171	34.7
132.25311	5.0
134.99615	12.2
140.00180	65.1
140.81012	5.1
143.00221	9.6
146.99680	17.8
149.01266	28.0
152.00197	10.4
154.01753	25.4
158.01277	14.2
158.99619	35.0
161.01233	12.1
166.01787	14.1
170.01234	14.6
170.99631	34.0
172.02789	54.8
173.01158	9.7
177.00743	15.3
181.02896	16.5
182.01266	8.8
184.02826	12.6
185.01205	6.6
189.00748	15.5
190.03786	8.7
191.02307	7.9
193.02882	13.0
195.04428	18.4
199.02895	5.5
200.02321	58.3
212.02315	64.3
214.03963	11.0
217.03824	7.4
219.01772	13.3
223.03740	8.2
224.02190	8.6
237.02907	6.4
240.05379	12.2
242.03371	24.8
249.96210	5.7
260.04391	7.1
261.02835	19.4
275.04602	10.8
279.04041	8.1
283.06198	8.9
289.14786	22.9
293.05389	20.3
302.05386	35.2
307.15747	10.4
316.06998	29.3
321.04874	100.0
330.17252	26.8
332.06509	8.3
334.08136	19.4
339.06155	7.2
344.80029	6.1
358.04004	6.2
362.07681	43.6
437.09930	26.0
455.10773	44.5
511.21976	7.4
525.24365	6.4
567.91498	6.0
687.29059	49.3
692.43652	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	747.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	38.8
71.67795	4.9
72.18833	4.5
81.71681	6.3
97.99124	5.4
98.97587	68.6
109.00622	5.3
110.97554	14.4
112.99142	14.2
116.98616	31.4
125.89205	5.2
128.98610	13.1
130.76076	5.8
131.00172	25.1
134.99632	7.4
140.00179	52.8
143.00150	8.1
146.99669	10.8
148.38615	5.8
149.01219	29.2
150.08006	5.2
152.00206	17.5
154.01775	17.5
158.01288	18.3
158.99594	32.0
166.01808	8.9
170.01248	16.1
170.99612	28.9
172.02814	40.7
173.01207	6.9
177.00739	25.6
181.02866	21.0
182.20158	6.7
184.02840	7.3
189.00711	13.9
190.03754	7.3
191.02214	11.4
194.01213	6.7
195.04437	13.6
199.02786	7.7
200.02342	43.2
212.02278	59.0
214.03941	7.5
219.01785	15.1
224.02229	10.5
233.03369	6.3
240.05576	6.2
242.03409	19.1
242.56204	5.9
261.02820	20.0
261.69229	6.1
275.04550	9.6
279.04071	6.1
289.14685	11.0
293.05453	28.1
300.06165	7.5
302.05493	38.4
305.09784	5.6
307.15881	10.3
316.07031	29.4
321.04904	100.0
330.17401	28.0
332.06500	9.1
334.08099	19.1
362.07501	41.4
397.49011	9.0
437.09537	22.4
455.10706	48.6
525.23584	19.8
540.53162	7.7
623.27692	7.1
687.28870	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00541	2.7
57.16466	2.8
58.95388	3.0
90.83047	3.3
107.07324	4.0
120.08092	28.4
122.09663	41.3
123.20751	3.8
124.11178	4.2
132.08115	4.8
134.09668	9.8
135.09370	4.4
135.10426	35.0
136.11250	26.4
138.09172	4.4
147.56432	3.1
148.11282	3.5
149.10750	100.0
149.11931	6.1
150.11458	3.5
151.12306	13.6
160.11243	5.4
161.10721	22.7
162.11462	4.3
163.12239	4.1
163.84406	4.5
175.09642	3.1
175.12317	20.5
177.13841	36.4
188.10693	10.3
189.13881	28.4
198.01317	3.5
216.12555	3.6
217.13371	4.5
218.14114	6.1
221.12775	36.4
233.15186	12.1
261.08719	9.6
261.12277	3.9
262.10590	5.1
262.13083	26.3
263.13846	8.6
279.15689	41.4
312.84006	4.1
468.17300	3.6
610.25085	8.2
708.49707	4.6
730.30975	10.9
736.17438	3.9
747.33301	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.5551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	43.1
59.06113	30.1
59.49965	10.0
61.64426	11.7
67.05490	57.6
68.05878	14.5
69.07051	36.7
81.07043	49.7
83.08569	16.4
85.33318	13.9
89.06010	12.8
93.07009	24.3
95.08613	27.2
103.17552	12.6
109.10178	21.0
109.94329	14.4
121.10125	23.0
172.52364	18.8
191.76276	13.1
343.94400	15.1
630.98254	15.4
711.53583	100.0
729.53943	21.3
735.39844	15.8
774.27618	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	747.5552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33229	6.1
55.05512	18.9
57.07065	7.2
59.03225	6.2
59.06115	15.7
64.46402	7.0
67.05497	24.1
69.07059	22.6
77.86300	7.6
81.07052	19.2
83.08612	12.8
91.71017	7.8
93.07069	8.6
95.08613	12.1
121.10116	10.6
149.38503	7.3
178.21846	7.6
211.07501	9.0
215.66840	7.9
251.10988	8.1
278.69034	10.5
313.00781	10.7
382.62723	9.7
411.97687	11.9
711.53156	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.1
57.03442	0.8
59.98885	0.8
65.83167	0.9
67.05190	1.1
67.05495	7.7
67.50817	0.8
67.88918	0.9
69.03401	1.4
69.07059	2.0
70.06618	1.3
79.05474	3.9
81.03407	2.8
81.07045	9.5
83.08642	0.9
86.06068	2.0
91.05461	3.0
93.07037	6.1
95.04944	1.4
95.08608	8.0
98.06046	4.6
105.07021	1.6
107.08591	1.8
109.10168	2.7
110.84837	1.0
119.08619	1.5
121.10138	4.1
126.08813	0.9
131.08580	2.6
133.10088	1.6
149.09610	100.0
178.45773	0.9
234.15016	2.7
252.15880	2.3
308.18518	6.7
325.23642	2.2
335.25922	3.8
568.39978	8.9
570.64978	1.2
575.43445	1.6
635.45233	1.6
688.37585	1.3
730.85950	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	748.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.0
57.03434	2.4
65.61427	0.9
67.05496	15.4
67.05769	1.2
69.03433	2.1
69.07076	2.7
70.06596	1.4
79.05482	9.7
79.75613	1.0
81.03395	1.1
81.07045	16.0
83.08623	1.5
86.06049	18.1
91.05489	6.5
92.78008	1.0
93.07028	11.3
95.04986	2.3
95.08593	8.1
96.08144	1.6
98.06049	8.3
105.07054	3.7
107.08619	5.0
107.15834	1.1
109.10176	4.6
110.33099	1.2
114.43909	1.1
117.07088	4.0
119.08624	1.2
121.10134	5.8
124.07626	4.9
131.08601	2.4
133.10152	2.6
135.11717	1.6
145.10251	1.4
150.09058	1.1
159.11737	2.1
177.12733	100.0
178.13196	1.8
194.01930	1.2
218.84612	1.1
237.98479	1.2
249.00153	1.2
262.17993	10.3
280.18903	1.6
307.22653	17.2
307.25705	1.6
335.20438	1.4
336.21695	6.0
429.08145	1.3
568.39740	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	748.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97036	3.3
55.05504	4.3
57.07064	14.6
60.05614	3.4
61.41038	3.3
63.88506	4.0
67.05494	19.5
69.07063	11.4
70.25391	3.2
71.08628	10.4
79.05483	8.8
81.07048	40.3
83.04979	4.0
83.08609	7.7
85.38110	3.9
91.05474	3.9
91.71045	4.5
93.07061	5.0
95.08611	20.1
97.52760	3.9
107.08587	6.2
109.06486	7.2
109.10160	7.9
111.04447	18.2
115.47990	3.8
119.08594	4.7
121.10190	6.9
125.06004	5.9
129.29283	3.4
135.11745	5.8
137.05974	100.0
147.04391	14.9
147.11638	8.2
149.09691	6.1
161.09602	6.3
163.99925	4.3
175.11194	5.0
176.63538	3.7
203.17923	6.1
231.17374	9.2
249.18515	5.7
277.17889	26.1
295.19067	8.1
313.27359	12.0
351.21860	8.1
589.44556	54.9
607.45477	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	748.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18444	1.6
55.05507	12.5
57.07067	4.4
60.80355	1.7
60.95872	1.9
64.36900	1.8
67.05170	3.3
67.05499	41.5
69.07059	23.9
78.84506	1.7
79.05482	10.0
81.06595	4.1
81.07049	59.1
83.08611	18.7
91.05482	17.9
93.07036	15.7
95.08599	48.2
95.09225	2.3
97.06515	2.9
97.10152	9.2
105.07034	4.5
107.08595	8.4
109.10153	25.1
111.08124	2.2
111.11690	4.5
113.69974	2.0
119.04928	21.5
119.08563	6.1
121.10145	19.4
123.11725	16.9
131.08586	3.1
133.10147	10.8
135.11678	12.9
137.13269	9.2
147.03224	5.0
147.04405	100.0
147.11714	5.2
149.13222	4.5
151.11215	2.6
151.14850	3.6
202.92361	2.3
209.54355	2.3
215.17935	5.9
217.19586	2.3
235.20662	4.9
251.20096	9.5
318.37729	2.4
332.53821	2.3
471.42151	12.8
479.86639	2.7
489.42987	7.5
674.55157	2.3
756.41095	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	748.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13280	2.1
55.05508	13.9
55.05709	2.4
55.13456	2.2
58.61300	2.2
63.90211	2.4
65.03954	2.6
67.05495	54.5
69.07050	20.7
79.05482	11.1
81.07042	62.7
83.08618	16.1
90.88629	2.3
91.05468	22.8
93.07020	21.5
95.08593	55.0
97.06551	4.0
97.10174	12.2
105.07024	8.5
107.08591	13.3
109.10162	24.8
111.08098	2.6
115.96603	2.4
119.04942	23.1
119.08599	6.5
121.10143	21.2
123.11700	12.3
131.08551	4.9
133.10121	14.8
135.11667	20.0
137.09663	4.6
137.13313	2.9
137.29204	2.7
139.11200	2.7
145.10100	3.6
147.03221	5.1
147.04401	100.0
147.11681	4.3
149.13260	9.5
151.11252	3.9
159.11690	4.0
198.44180	3.1
215.17999	11.4
233.19038	4.6
235.20506	3.1
237.21924	2.8
251.20108	14.1
283.03430	3.2
360.05698	2.9
375.32639	4.8
471.41864	21.7
489.42917	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94386	11.5
57.07051	49.7
68.22097	10.1
71.08621	33.7
73.06541	16.3
73.72137	9.9
85.10151	36.2
86.34585	11.2
87.04440	27.7
89.06018	100.0
101.23473	11.7
117.09143	12.1
121.06570	11.2
130.08636	29.1
132.10222	12.1
133.08565	57.5
177.11258	26.4
229.21623	25.4
265.55368	12.3
386.25278	13.9
623.25934	16.7
715.62799	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	749.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69322	4.5
56.96563	36.4
68.39118	5.5
70.08663	6.1
77.93987	5.5
85.55542	5.6
98.97587	56.9
110.97630	9.0
112.35513	6.2
116.98662	20.1
128.98640	17.1
131.00215	20.3
140.00175	45.3
143.00191	10.9
146.99635	8.9
149.01268	19.0
152.00226	16.5
154.01843	31.3
158.01343	21.3
158.99728	18.6
161.01169	6.9
166.01743	10.6
170.99724	28.0
172.02930	30.4
177.00800	14.3
181.02911	18.5
184.02921	10.1
189.00800	20.8
193.02872	14.7
195.04465	8.7
200.02335	36.5
201.00879	9.8
203.02461	12.3
212.02225	37.3
219.01872	15.2
224.02341	8.3
242.03477	21.1
261.02859	14.8
275.04355	9.1
279.03879	13.3
293.05432	17.2
302.05615	31.4
311.97629	6.9
316.07132	20.6
321.04831	100.0
332.19061	21.8
334.08139	20.7
339.05899	9.6
362.07581	40.9
373.21814	9.2
437.09668	20.2
455.10709	41.7
462.59314	8.1
527.25293	13.5
535.83124	10.1
689.30481	37.0
705.63788	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	749.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23209	13.2
61.93518	13.3
67.05514	14.9
81.07036	16.8
102.73927	12.3
128.47685	12.5
168.21382	15.7
237.59483	13.5
317.14551	17.0
351.48068	17.8
749.37000	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52194	6.6
57.26350	4.9
69.80081	5.2
75.00275	5.8
91.71183	7.9
146.27875	5.9
195.44032	6.2
218.33353	6.4
221.24649	6.8
248.93036	6.9
298.50888	7.2
467.86618	7.0
501.04678	7.3
749.40326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90857	2.4
55.03762	2.7
60.05638	4.4
63.34375	2.5
78.02387	2.9
81.07056	3.2
89.60767	3.0
91.71010	5.4
121.47501	3.2
130.47104	3.1
143.95424	3.1
152.93820	3.3
163.42068	3.3
175.84752	2.8
204.46121	3.2
269.05508	3.2
336.54071	3.6
421.33084	4.1
525.38910	11.0
585.41034	5.7
645.64923	4.5
740.31873	3.9
749.45825	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	24.7
60.84907	9.1
67.05495	100.0
69.07059	28.5
75.40246	10.2
77.21143	12.5
79.05504	31.7
81.07043	95.9
83.08655	11.0
85.14413	10.0
91.05502	29.0
93.07063	52.8
94.28908	13.0
95.08599	63.7
97.10203	16.2
105.07069	36.3
107.08610	30.1
109.10195	46.0
119.28158	12.8
121.10155	25.0
122.43089	11.3
125.15852	10.4
133.10184	19.8
135.11644	12.3
144.78342	14.1
145.10176	19.0
147.11732	14.1
149.09653	21.1
159.11728	15.3
173.13269	12.6
179.63948	11.8
237.75673	14.5
265.21719	13.5
275.19989	34.8
293.21057	61.6
311.22214	32.9
319.38135	12.3
367.24802	64.1
385.25952	45.7
403.27069	14.6
695.46954	15.8
698.48547	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	749.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	24.7
60.84907	9.1
67.05495	100.0
69.07059	28.5
75.40246	10.2
77.21143	12.5
79.05504	31.7
81.07043	95.9
83.08655	11.0
85.14413	10.0
91.05502	29.0
93.07063	52.8
94.28908	13.0
95.08599	63.7
97.10203	16.2
105.07069	36.3
107.08610	30.1
109.10195	46.0
119.28158	12.8
121.10155	25.0
122.43089	11.3
125.15852	10.4
133.10184	19.8
135.11644	12.3
144.78342	14.1
145.10176	19.0
147.11732	14.1
149.09653	21.1
159.11728	15.3
173.13269	12.6
179.63948	11.8
237.75673	14.5
265.21719	13.5
275.19989	34.8
293.21057	61.6
311.22214	32.9
319.38135	12.3
367.24802	64.1
385.25952	45.7
403.27069	14.6
695.46954	15.8
698.48547	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	750.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56506	9.2
58.59940	10.7
58.99566	13.2
60.50122	9.3
70.02950	35.7
76.02226	17.2
76.03997	13.1
83.04973	24.6
84.04491	25.4
84.57780	13.2
85.02892	21.7
91.05441	14.9
93.84479	12.0
99.05598	14.6
104.05104	12.8
105.07079	14.2
107.04934	19.3
116.01672	38.8
119.08612	13.3
128.06242	13.9
129.07030	29.3
130.04997	13.9
142.06520	16.4
143.08542	17.8
144.01157	16.2
145.06070	100.0
159.08116	16.3
162.02254	20.8
171.11653	12.4
173.09576	19.9
174.09157	11.8
175.01999	13.9
179.04903	28.5
185.03798	22.3
187.07515	21.2
191.05330	16.3
199.11201	21.7
201.03694	21.6
213.66913	12.1
215.10448	13.5
219.04735	28.6
227.10733	20.3
231.04274	63.9
241.06749	24.5
245.11636	32.7
263.92590	13.9
274.10355	33.4
333.70959	13.8
338.14172	31.7
349.08524	15.5
356.15149	22.4
370.77597	16.9
403.93799	16.8
405.14771	27.6
410.85727	13.2
414.32236	14.8
423.15778	35.1
441.17026	58.7
459.17947	53.9
477.12714	14.3
570.21301	22.6
588.21979	69.8
690.25452	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	750.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56506	9.2
58.59940	10.7
58.99566	13.2
60.50122	9.3
70.02950	35.7
76.02226	17.2
76.03997	13.1
83.04973	24.6
84.04491	25.4
84.57780	13.2
85.02892	21.7
91.05441	14.9
93.84479	12.0
99.05598	14.6
104.05104	12.8
105.07079	14.2
107.04934	19.3
116.01672	38.8
119.08612	13.3
128.06242	13.9
129.07030	29.3
130.04997	13.9
142.06520	16.4
143.08542	17.8
144.01157	16.2
145.06070	100.0
159.08116	16.3
162.02254	20.8
171.11653	12.4
173.09576	19.9
174.09157	11.8
175.01999	13.9
179.04903	28.5
185.03798	22.3
187.07515	21.2
191.05330	16.3
199.11201	21.7
201.03694	21.6
213.66913	12.1
215.10448	13.5
219.04735	28.6
227.10733	20.3
231.04274	63.9
241.06749	24.5
245.11636	32.7
263.92590	13.9
274.10355	33.4
333.70959	13.8
338.14172	31.7
349.08524	15.5
356.15149	22.4
370.77597	16.9
403.93799	16.8
405.14771	27.6
410.85727	13.2
414.32236	14.8
423.15778	35.1
441.17026	58.7
459.17947	53.9
477.12714	14.3
570.21301	22.6
588.21979	69.8
690.25452	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	750.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34969	6.0
59.78624	6.0
78.95906	7.1
79.93210	5.7
81.78193	8.5
82.08927	6.5
84.41032	6.1
87.04473	14.0
91.71702	6.7
103.98829	6.7
107.84882	8.0
122.13803	6.3
170.35132	8.5
212.31805	8.1
344.91470	8.9
594.36096	9.3
750.49042	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03960	6.5
58.92806	6.1
61.02909	7.1
61.46978	6.2
63.95683	6.2
66.50533	8.0
67.05477	7.0
69.03419	10.1
73.02920	6.2
75.98862	6.1
79.05495	7.9
81.03425	8.7
81.07066	9.7
93.99818	6.5
97.02869	10.1
159.89330	6.9
194.56432	8.3
218.29404	7.4
222.36813	8.8
265.25916	8.1
352.77676	9.2
357.92728	8.5
463.55811	8.4
464.27728	9.8
471.04065	9.4
491.26193	15.9
501.22504	11.0
666.90344	9.6
695.21527	10.5
751.42041	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	2.7
57.45648	2.2
61.02915	9.5
61.39907	2.4
67.05493	10.9
69.03424	5.8
69.07037	3.5
69.07971	2.4
73.02901	3.7
75.36668	2.5
79.05486	7.1
80.70647	2.3
81.03410	13.4
81.07045	5.6
84.92500	3.0
85.02888	8.3
91.03955	4.9
91.05469	9.5
93.07044	8.5
95.08628	9.8
97.02905	4.4
97.99667	2.8
101.02412	3.9
105.07037	3.2
109.10175	5.4
119.08582	6.1
124.37190	2.7
147.08121	2.9
148.76665	3.1
165.09088	3.4
165.93158	2.8
235.50035	3.1
255.12057	6.8
342.58267	3.3
473.20322	15.1
519.29590	6.6
594.33960	3.6
659.16565	3.4
751.42261	100.0
752.42267	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	751.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
60.62431	3.0
64.18513	3.0
75.95346	3.2
78.22924	3.5
91.71083	5.9
117.32142	4.0
130.99431	3.7
141.14500	4.3
275.71725	4.3
284.28659	4.4
549.35785	4.6
689.22968	4.8
751.44049	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66472	2.1
57.03425	2.4
67.05499	7.8
72.14625	2.4
79.05481	4.3
80.54305	2.3
81.07046	9.6
86.65891	2.3
91.05500	3.5
93.07047	6.3
95.08595	5.8
107.08584	3.2
109.10124	2.5
119.08607	3.6
121.10141	6.1
133.10223	4.9
151.11176	3.8
164.17195	3.0
198.79735	2.8
209.54424	2.8
291.19424	7.3
307.18811	5.9
351.21548	6.1
363.21301	6.0
367.20798	6.2
631.41895	5.7
751.45941	100.0
752.46875	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	751.475
Annotation	Unknow
Peak:m/z	Relative Intensity
61.56450	1.1
65.35780	1.4
67.05544	1.3
74.37350	1.4
77.42654	1.5
85.00171	1.5
85.86995	1.4
98.12671	1.3
107.84978	1.4
380.65408	1.7
471.60068	1.7
527.40594	7.6
587.42908	9.4
691.44849	2.2
695.24182	1.7
751.47504	100.0
752.47888	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	751.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23080	3.0
54.94686	2.9
56.59256	2.7
61.92524	2.5
64.56678	2.4
67.05506	3.7
89.55701	2.9
99.45193	3.0
114.67426	2.8
259.81494	4.2
587.42517	6.9
751.47504	100.0
752.47620	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	751.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75512	4.3
62.41828	5.1
65.47122	5.0
78.30997	4.4
81.26349	4.8
130.15608	6.2
131.30745	5.4
225.46289	5.8
333.82086	5.8
400.60931	8.7
709.66461	7.5
751.47363	100.0
780.00317	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	751.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84476	4.9
74.42951	5.3
116.77840	5.5
143.58624	6.0
218.12489	6.1
328.42609	6.6
462.44165	6.8
751.48920	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64607	4.3
55.97081	4.1
59.00526	4.3
67.99583	4.8
90.92463	5.8
91.70992	11.1
104.32099	5.5
388.99493	6.3
751.49133	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	100.0
66.90241	1.1
70.97955	0.9
71.04979	2.6
73.02910	9.3
73.04736	4.4
73.06529	2.4
77.46045	0.9
87.04454	4.4
89.06036	6.2
91.05787	10.3
100.07610	4.1
103.07569	61.7
114.07359	16.2
114.09134	1.4
115.07557	1.7
117.09132	2.2
118.03206	3.3
130.08691	1.6
132.10146	1.8
133.08612	3.4
147.04706	2.8
147.10155	19.5
149.04431	1.2
151.08969	1.2
159.10199	2.5
167.05573	1.2
181.07109	1.9
191.07266	2.2
192.04857	1.1
192.13013	1.3
196.86308	1.1
207.08727	2.8
221.08496	3.6
239.09502	17.8
251.11345	1.9
255.24057	1.2
263.11053	1.8
286.79288	1.3
464.08047	1.5
626.73706	1.6
631.99152	1.3
645.26489	1.3
752.43964	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	752.506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00065	11.9
67.29276	11.2
72.08144	26.7
72.91290	12.2
84.32291	13.7
85.57727	12.2
88.11255	22.4
90.09184	100.0
107.67973	13.0
113.76177	13.7
172.23238	16.2
187.42967	18.2
277.81979	16.8
280.00394	13.6
548.04144	15.7
752.50507	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	752.6181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00763	0.3
58.06592	17.9
59.07373	11.1
64.20176	0.3
72.08151	0.5
73.65601	0.3
84.51404	0.3
132.10194	100.0
133.10493	0.8
134.01230	0.4
135.91222	0.4
180.68152	0.4
313.16010	0.4
497.01810	0.4
568.54669	0.4
639.35028	0.4
717.91882	0.5
752.61688	1.0
762.96832	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.6184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	0.5
58.06318	1.0
58.06591	16.0
59.07372	11.5
93.47051	0.5
111.16009	0.5
132.10196	100.0
133.10664	0.8
139.78983	0.7
568.74969	0.8
644.19391	0.7
656.76154	0.7
747.50269	0.7
752.62262	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82882	2.0
84.17543	2.4
94.04175	4.4
109.06511	3.6
115.05524	2.9
122.03587	5.5
129.07011	6.2
133.06635	2.1
137.05963	100.0
151.07501	3.7
157.06497	6.3
160.05241	2.3
172.05249	4.4
174.06831	6.0
175.07484	23.2
175.08641	2.0
179.45947	2.1
187.07526	57.5
189.09084	23.4
196.47017	2.4
199.07478	4.0
203.08591	2.8
205.08537	3.9
217.08597	21.7
219.08047	5.9
231.08052	4.6
247.07567	7.0
248.08325	9.4
251.10596	2.3
255.06216	2.8
263.10617	5.0
270.08969	3.0
276.07816	2.6
279.10172	9.8
291.10190	14.4
296.10617	4.9
300.55768	2.7
307.09406	2.3
308.10471	3.5
311.12747	12.0
323.12704	22.4
340.49704	2.3
341.13821	50.9
342.14517	2.9
703.30341	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	753.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
62.37138	2.3
86.59708	2.3
102.42618	2.3
107.35295	2.3
109.06508	2.8
117.82839	2.4
122.03658	4.0
129.06998	6.2
137.05975	100.0
157.06497	7.4
166.37494	2.4
171.08015	3.6
174.06776	9.8
175.07539	23.6
187.07533	60.4
189.09100	20.2
199.86232	2.9
203.08435	3.3
203.63361	3.0
217.08533	19.4
219.08105	5.1
231.08035	7.6
247.07637	5.8
248.08336	5.7
251.10689	3.8
263.10641	7.7
265.08621	3.1
279.10257	7.3
291.10162	18.2
293.08310	3.3
296.10455	4.9
311.12720	12.3
323.12796	23.8
341.13803	55.4
368.71878	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	753.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24046	0.9
59.11310	1.0
75.31447	1.2
91.05451	1.4
91.29417	1.2
94.04172	2.6
103.05508	1.2
104.87403	1.1
107.04933	1.4
109.06493	2.4
109.07309	1.0
111.04429	1.2
122.03638	5.2
128.06224	1.5
129.06946	5.6
131.04919	2.3
131.08534	1.4
131.54768	1.1
137.05966	100.0
138.06325	1.2
141.52631	1.1
143.08557	2.5
144.05714	2.8
145.06343	1.5
145.29527	1.2
149.06012	1.7
151.07535	2.3
157.06499	5.6
158.07211	1.3
160.05154	3.9
160.27217	1.5
161.05949	1.3
163.07608	1.5
172.05167	5.8
174.06764	9.6
175.07524	24.6
187.07523	58.0
189.09097	21.3
190.09357	1.5
191.08638	2.2
199.07555	3.3
203.08597	5.2
205.08519	1.6
217.08571	18.6
219.08083	5.1
219.59436	1.3
220.08685	2.0
231.08116	6.0
232.08902	1.9
233.09608	1.9
235.09644	2.6
236.45264	1.2
247.07524	4.9
248.08368	5.3
249.09047	1.5
251.10643	2.9
259.07541	3.0
261.09164	2.4
263.10666	9.5
264.07782	2.9
265.08575	1.8
270.08905	2.5
271.09631	2.8
276.07736	3.4
277.08636	1.7
279.10052	8.4
280.10880	1.8
291.10071	17.0
292.10611	1.8
293.08218	2.3
296.10376	6.9
296.81192	1.5
297.11188	1.7
308.10269	1.3
311.12732	14.3
323.12720	24.5
341.09592	2.7
341.13782	55.8
602.80011	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	753.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90831	1.0
70.62310	1.2
74.43816	1.1
79.05479	1.4
84.21124	1.2
91.05457	1.5
91.83186	1.2
100.64043	1.1
109.06458	1.5
111.04436	1.7
115.05431	3.2
121.18775	1.5
122.03674	7.0
128.06242	1.9
129.07004	7.0
131.04906	2.5
137.05969	100.0
144.05663	2.1
149.06139	1.4
151.07518	1.9
153.05513	1.7
157.06487	5.0
159.30705	1.5
160.05214	2.6
171.08110	2.3
172.05194	4.1
174.06744	12.0
175.07538	25.8
187.07532	56.8
189.09108	24.7
191.08565	2.3
199.07504	2.2
202.07756	2.0
203.08566	6.4
205.06540	2.7
205.08533	2.4
217.08562	19.2
219.08092	5.2
231.08026	5.7
232.08678	2.5
235.09702	2.0
247.07489	5.2
248.08315	8.5
251.10672	2.4
261.08978	2.9
263.10666	7.5
264.99133	1.7
265.08603	3.4
270.08939	3.2
271.09616	2.7
273.09116	1.5
276.07843	4.8
277.08755	1.9
279.10068	8.5
283.09525	1.7
291.10123	19.9
292.10776	1.9
293.08170	1.8
296.10443	5.6
307.57162	1.7
308.10333	2.8
311.12729	14.9
323.12769	26.8
333.57620	1.7
335.92383	1.6
341.13824	59.0
733.46838	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	753.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99851	9.4
56.96564	53.2
64.45332	8.7
74.13332	9.1
83.90572	9.6
89.23545	9.4
97.99132	15.0
98.97556	67.0
107.02787	9.0
110.97598	12.6
116.98611	33.7
123.35110	11.1
128.98650	18.6
131.00197	25.3
134.99626	10.3
140.00175	59.3
149.01245	31.2
152.00174	20.5
153.33366	10.8
154.01772	23.8
158.01253	30.0
158.99646	28.1
170.01253	19.2
170.99715	36.8
172.02782	38.3
181.02884	29.2
189.00819	19.2
195.04338	23.0
200.02290	57.2
203.02283	19.5
212.02310	57.3
219.01826	12.2
226.03798	13.2
226.37686	11.3
242.03398	30.6
251.38266	10.6
261.02692	17.9
293.05502	25.9
302.05460	32.7
316.06906	23.7
321.04901	100.0
331.21527	16.1
332.06351	13.4
334.08136	22.2
343.93463	13.9
362.07611	46.6
401.63309	11.4
422.09348	13.8
437.09686	20.1
455.10712	49.6
531.28308	13.9
583.82721	10.9
648.07025	11.0
681.23639	15.6
693.33533	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	753.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
63.76642	4.7
66.18822	4.3
80.14512	4.9
81.07063	5.8
92.21717	4.6
134.54343	5.8
143.54515	5.1
153.65953	6.0
179.95062	5.0
189.87825	5.6
394.53604	6.2
451.26126	6.3
705.61304	6.7
753.45740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21358	4.8
82.01199	5.2
84.10751	4.7
85.15753	4.8
90.22710	5.0
91.15372	4.8
91.71698	9.8
105.89003	5.5
161.02168	5.7
163.76532	6.0
263.16049	6.3
362.08044	8.1
747.67450	7.6
753.45465	100.0
754.45551	8.8
770.24030	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	753.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
65.63659	3.0
93.40646	3.2
93.41222	3.5
147.29797	3.6
165.12825	4.0
168.05801	3.5
261.89084	5.0
312.81488	4.5
361.57462	4.5
401.55634	4.4
692.72589	4.3
753.45410	100.0
754.45093	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	753.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35162	2.9
53.82509	2.9
74.91364	3.6
75.64439	3.9
114.41947	3.9
117.92123	4.7
147.16916	4.5
184.33849	3.8
185.25435	4.0
277.95279	4.9
348.50922	4.6
411.54529	4.4
660.16626	5.0
725.56384	6.0
753.45386	100.0
754.45270	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	753.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93161	4.0
61.75602	3.9
79.42281	3.8
97.76644	5.2
107.73586	4.2
112.91244	4.5
150.50276	4.1
193.78148	5.2
266.18954	6.0
424.34744	5.7
529.42291	5.6
589.44543	13.8
753.49048	100.0
754.48328	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	753.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66176	2.4
85.01060	2.8
91.71733	5.2
111.14883	3.4
114.90931	3.3
119.67413	2.8
139.99858	3.2
175.31787	3.5
181.09492	3.3
181.26105	3.7
431.60178	4.1
454.09503	3.7
529.41925	9.8
589.44214	15.6
611.82568	4.9
630.03571	4.0
753.49176	100.0
778.35437	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	753.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86203	1.5
58.23143	1.7
75.33735	1.6
147.04506	1.8
251.41718	3.0
450.40973	2.1
473.30038	2.6
529.42450	6.6
589.44293	5.5
753.49042	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47963	8.2
67.06367	7.6
79.75526	9.1
79.96461	9.8
101.41840	10.2
117.81342	10.4
121.64235	9.6
166.35648	9.9
272.12448	10.4
296.12610	13.0
320.11670	12.5
643.49103	12.1
755.47357	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71682	2.2
240.40269	3.6
304.20709	3.8
504.97385	3.5
531.43970	7.6
633.42798	3.6
695.48120	4.8
755.50647	100.0
756.50977	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	756.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	10.3
56.05022	9.8
58.99570	28.1
61.02919	8.5
63.02441	5.5
65.59829	5.2
67.05500	36.2
68.05022	6.0
69.03403	10.0
69.07059	11.8
70.06598	7.5
71.04993	7.7
71.63208	6.6
73.01121	6.6
73.02927	6.8
76.02216	85.9
79.05490	26.8
80.05003	13.7
81.03391	6.9
81.07044	65.6
83.06088	14.1
83.08616	17.1
84.04496	19.1
85.02896	33.4
85.61783	6.4
86.00647	14.5
86.99067	9.6
88.02177	9.7
91.05466	21.8
93.07028	47.7
95.04960	8.6
95.08567	14.7
97.01092	23.2
97.02919	9.3
97.06552	10.3
100.02148	6.9
102.05524	10.1
105.07061	11.5
106.06534	6.9
107.08604	17.6
111.02672	33.3
114.03746	8.3
116.01676	56.3
117.07017	10.2
119.08492	7.4
121.10129	12.6
129.06599	21.9
130.05025	17.3
131.08565	11.6
133.10129	14.4
135.11726	11.1
137.04181	15.1
142.03223	13.5
144.01111	32.3
145.06059	7.9
149.13220	37.5
151.11151	8.9
159.11731	18.5
162.02229	56.2
177.12807	23.7
179.04817	48.7
195.13826	7.8
204.48198	7.4
215.04895	8.6
224.38605	7.8
226.12637	7.3
233.05920	16.2
235.11586	9.7
245.05917	9.4
252.14088	30.0
269.17453	34.1
270.15137	13.7
280.13297	8.7
287.05518	26.6
298.07825	6.8
299.05667	7.2
303.05051	25.9
304.05310	8.2
308.09128	10.7
321.63934	7.7
429.20407	22.6
447.21579	100.0
465.22693	22.6
501.22516	9.9
519.23590	12.0
526.83557	7.9
576.25708	19.4
594.26776	73.8
756.31372	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	757.1967
Annotation	Variabiloside F
Peak:m/z	Relative Intensity
65.03942	1.2
81.03414	2.9
83.04969	2.4
85.02881	1.6
91.05466	9.3
93.11263	1.0
95.74408	0.8
96.59135	1.0
97.02855	1.1
104.57812	1.0
107.04925	1.9
109.02875	1.5
116.56777	1.0
119.04948	21.2
147.04404	100.0
148.04692	1.1
161.06003	1.2
165.05487	3.6
257.05338	1.0
257.08078	4.0
263.86154	1.0
291.08572	1.8
300.82104	0.9
303.05200	4.7
309.09488	1.8
345.06018	2.0
371.45734	1.1
431.09555	1.3
450.90625	1.1
627.18158	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1971
Annotation	UNII-8PGL6583N7
Peak:m/z	Relative Intensity
53.03926	0.4
55.05468	0.2
57.03416	0.5
65.03924	0.9
66.69168	0.2
67.18875	0.2
69.03083	0.3
69.03419	3.3
71.04971	0.9
76.52187	0.3
79.06140	0.2
79.96380	0.3
81.03405	2.2
83.04977	1.6
85.02885	1.1
91.05469	11.1
95.04940	0.5
97.02882	1.0
99.04421	0.2
105.07014	0.6
107.04940	1.9
109.02866	1.0
111.00815	0.3
111.04420	0.9
115.04655	0.2
115.05435	1.0
119.04933	25.8
123.04441	0.6
126.00993	0.2
127.03908	0.7
129.07019	0.2
133.06490	0.8
137.02298	0.8
141.93082	0.3
143.04901	1.2
145.06573	0.3
147.04398	100.0
148.04729	1.0
149.05968	0.3
151.03920	0.9
153.01805	0.8
157.06483	0.4
159.04401	0.7
161.05931	1.7
163.03911	0.4
165.01797	0.4
165.05460	2.3
165.06758	0.3
169.05081	0.3
169.06485	0.4
171.04388	3.1
171.05435	0.2
173.05997	1.3
175.03944	0.7
177.05482	0.6
183.08031	0.5
185.05933	0.7
187.07497	0.3
189.05461	4.3
191.03320	0.2
197.05988	0.7
199.03966	0.3
200.07101	0.3
201.05521	0.8
211.07524	1.1
213.05515	1.4
221.76518	0.3
229.02275	0.3
229.04959	0.6
239.06996	2.0
257.08093	2.3
275.09119	1.9
291.08600	1.3
293.10168	5.2
303.04953	14.6
309.09613	0.7
315.04965	0.5
330.09216	0.3
345.06085	1.8
369.05762	0.3
383.53714	0.3
413.08459	0.4
419.13254	0.3
431.10147	0.4
437.14331	0.3
449.10693	1.0
525.53839	0.3
540.05035	0.3
601.59308	0.3
756.28473	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.218
Annotation	Quercetin 3-isorhamninoside
Peak:m/z	Relative Intensity
54.21406	0.8
55.05490	0.8
56.04386	0.7
56.33916	0.7
56.67258	0.8
57.03413	3.2
64.96593	0.6
65.75876	0.6
69.03416	2.2
69.94244	0.7
71.04984	17.6
75.04463	1.5
75.13577	0.7
81.03385	1.0
83.04978	4.1
83.68663	0.7
85.02895	25.1
95.04990	1.4
96.04003	0.8
97.02891	1.8
99.04456	1.1
111.00760	1.0
111.04424	2.6
127.03903	1.2
129.05470	5.0
137.02351	3.0
147.06531	1.9
153.01837	3.4
153.69878	0.7
165.01785	1.5
201.05440	0.9
229.04868	4.0
257.04416	1.9
285.04059	1.0
301.06940	0.9
303.04950	100.0
304.05191	2.2
413.77106	1.1
449.10760	1.0
465.10074	1.2
530.35950	0.8
614.45770	0.9
714.94934	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2185
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.01386	0.9
55.05498	1.9
57.03417	5.2
61.02913	1.3
69.03418	2.7
70.06582	2.4
71.01337	1.7
71.04614	1.9
71.04984	35.0
71.73560	1.0
71.83620	1.1
73.02886	1.0
75.04469	2.3
83.04961	4.6
83.76657	1.0
85.02897	45.1
97.02893	3.6
104.84339	1.0
111.04435	2.1
127.03911	2.9
129.05481	8.7
142.85002	1.2
147.06506	1.7
153.01816	2.6
166.48044	1.1
227.29196	1.4
275.38150	1.2
283.01492	1.3
287.05475	100.0
288.05869	1.3
301.34332	1.4
329.06543	3.0
393.84183	1.4
449.10764	19.5
643.83228	1.5
756.57648	1.4
757.25732	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	757.2181
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03593	0.5
57.03415	2.6
69.03403	1.8
69.51862	0.6
71.04980	13.0
77.81700	0.8
78.57296	0.7
81.03380	1.4
85.02437	1.1
85.02901	16.0
91.71085	0.9
91.97063	0.7
97.02863	1.4
99.04415	0.7
121.02836	2.8
127.03971	0.8
129.05470	2.4
153.01814	2.2
183.02908	1.0
241.04898	0.9
258.05176	1.0
287.05475	100.0
288.05856	1.1
299.19388	0.8
449.10739	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2183
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
56.05004	0.2
57.03429	2.1
59.27935	0.2
59.51366	0.2
61.02906	0.6
63.03174	0.2
66.29977	0.2
69.03413	1.5
70.06575	0.3
71.01319	0.2
71.04982	13.3
73.02889	0.4
75.04465	0.7
81.03394	0.8
83.04955	0.8
85.02895	16.7
86.06030	0.3
87.04432	0.3
88.13538	0.2
88.64829	0.3
97.02886	1.7
98.06040	0.4
98.63200	0.2
99.04455	0.3
105.03402	0.2
109.02855	0.2
111.00803	0.6
111.04431	0.5
119.32205	0.2
121.02846	1.8
127.03889	0.8
129.05476	2.7
133.02811	0.5
137.02348	0.3
145.04959	0.5
145.06424	0.2
147.06546	0.4
153.01811	2.4
165.01837	1.5
183.02907	0.5
185.05949	0.3
189.05551	0.3
213.05432	0.8
231.06364	0.4
231.51074	0.2
241.04944	0.5
258.05197	0.4
281.61957	0.2
287.05469	100.0
288.05728	1.6
290.17554	0.2
315.00882	0.2
329.06567	0.4
449.10745	19.0
450.11111	0.4
493.61011	0.2
547.25183	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07060	7.0
60.08143	9.2
70.95756	5.7
81.07022	9.6
86.09705	38.6
93.84464	6.1
95.08559	9.7
98.83997	7.4
100.24247	6.1
105.07054	7.9
125.00021	11.6
152.89223	5.7
184.07304	100.0
185.07626	8.3
245.26836	6.4
266.56247	7.5
620.83698	8.5
639.29523	30.6
725.33209	15.0
740.80304	7.4
756.30109	10.2
757.35242	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	758.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	4.4
55.05500	4.8
55.95455	3.0
57.03428	4.8
60.08154	35.6
61.02891	5.7
62.55071	3.9
67.04268	3.6
67.05486	11.9
68.04994	6.7
69.03416	7.4
69.05806	11.9
73.02909	11.8
74.01043	3.2
79.05479	5.9
79.90338	4.1
81.03398	9.1
81.07037	25.9
83.08593	7.2
85.02888	10.2
88.95225	5.3
91.03934	4.2
91.05454	11.3
93.07040	11.4
95.08585	7.0
97.02892	9.1
98.06065	3.7
99.01433	4.5
100.02199	5.6
105.07025	6.3
109.06499	7.6
111.50085	3.6
119.04919	11.1
119.08607	7.8
125.01685	5.7
126.02467	27.8
127.03263	100.0
127.07552	4.6
145.04314	45.3
147.04401	63.4
148.04797	13.4
159.11624	4.2
183.05763	6.9
185.09813	54.9
186.10634	5.2
201.06946	11.1
206.02946	4.4
218.33983	4.8
219.07996	28.3
227.87468	4.2
243.05542	5.0
303.04938	5.2
519.78931	4.7
552.35138	6.7
596.33710	6.1
676.82159	5.5
714.39868	98.9
758.39099	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	758.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	4.4
55.05500	4.8
55.95455	3.0
57.03428	4.8
60.08154	35.6
61.02891	5.7
62.55071	3.9
67.04268	3.6
67.05486	11.9
68.04994	6.7
69.03416	7.4
69.05806	11.9
73.02909	11.8
74.01043	3.2
79.05479	5.9
79.90338	4.1
81.03398	9.1
81.07037	25.9
83.08593	7.2
85.02888	10.2
88.95225	5.3
91.03934	4.2
91.05454	11.3
93.07040	11.4
95.08585	7.0
97.02892	9.1
98.06065	3.7
99.01433	4.5
100.02199	5.6
105.07025	6.3
109.06499	7.6
111.50085	3.6
119.04919	11.1
119.08607	7.8
125.01685	5.7
126.02467	27.8
127.03263	100.0
127.07552	4.6
145.04314	45.3
147.04401	63.4
148.04797	13.4
159.11624	4.2
183.05763	6.9
185.09813	54.9
186.10634	5.2
201.06946	11.1
206.02946	4.4
218.33983	4.8
219.07996	28.3
227.87468	4.2
243.05542	5.0
303.04938	5.2
519.78931	4.7
552.35138	6.7
596.33710	6.1
676.82159	5.5
714.39868	98.9
758.39099	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	758.42
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	98.3
69.07069	64.4
69.46636	37.7
81.07046	81.3
84.72975	42.8
94.26592	39.1
105.07070	47.8
111.37402	43.4
114.16776	44.8
129.87782	40.2
163.11145	51.4
175.63251	57.2
305.45023	50.1
586.45386	100.0
601.94318	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.459
Annotation	Unknow
Peak:m/z	Relative Intensity
60.82123	8.5
65.52660	8.6
81.07032	11.5
86.77212	8.5
96.34338	8.7
101.12858	9.0
124.83466	9.9
138.80898	10.0
233.68701	11.0
321.03610	31.4
471.17474	11.1
483.24908	17.9
526.23175	39.7
527.23999	52.5
607.59955	13.5
624.28711	12.3
651.61230	12.6
715.46558	21.7
759.46155	100.0
759.86188	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	759.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	7.8
67.05479	7.5
67.35643	7.2
73.51727	6.6
77.30280	6.4
81.07026	8.5
91.70986	14.5
155.59782	7.9
308.02966	10.1
321.03525	17.5
431.15619	11.9
471.18326	9.0
483.24695	19.7
526.22980	36.7
527.23901	88.2
661.50482	13.4
715.46320	34.1
759.46021	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34658	16.0
61.27503	12.3
67.05476	18.3
81.07030	17.8
85.63965	13.0
95.08598	15.9
116.06337	16.1
147.78745	13.0
149.36441	13.6
158.55737	14.2
256.34372	19.0
321.03406	17.9
351.14102	15.5
483.25711	21.5
526.23267	30.8
527.23743	62.9
538.61047	17.2
660.56433	16.7
759.46130	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34658	16.0
61.27503	12.3
67.05476	18.3
81.07030	17.8
85.63965	13.0
95.08598	15.9
116.06337	16.1
147.78745	13.0
149.36441	13.6
158.55737	14.2
256.34372	19.0
321.03406	17.9
351.14102	15.5
483.25711	21.5
526.23267	30.8
527.23743	62.9
538.61047	17.2
660.56433	16.7
759.46130	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	2.1
56.94232	2.4
58.20147	2.5
67.68408	2.4
72.98466	2.6
73.69030	2.7
81.49042	2.4
85.02897	11.6
97.02908	5.1
103.05463	12.1
125.20083	2.8
129.07025	5.7
130.13815	3.0
131.04915	24.1
137.05971	38.9
147.04512	4.1
149.46111	2.7
163.07550	4.1
174.06783	3.4
187.07506	34.3
189.09088	8.1
199.07611	3.2
203.08629	12.1
217.08589	23.2
220.08942	3.5
227.77881	3.0
231.08018	14.0
232.08810	4.1
235.09618	6.9
243.06822	2.9
248.08214	14.5
259.07578	4.3
263.10657	17.9
265.08734	3.7
268.02957	3.1
276.07858	9.4
277.08594	5.8
291.10120	38.3
292.10999	5.5
293.08066	7.9
308.10321	3.3
311.12961	5.2
320.38412	3.3
323.12711	100.0
324.13440	3.3
383.14865	46.7
541.80969	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	761.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01851	1.5
63.14967	1.4
69.03430	3.9
69.49160	1.3
70.06575	2.7
70.37642	1.6
72.08130	2.4
72.27097	1.3
81.03416	1.7
85.02902	10.3
86.09696	1.5
97.02883	2.8
107.04953	100.0
121.02805	2.0
123.07910	1.9
124.20531	1.7
141.57646	1.8
155.82004	1.7
163.03862	1.8
175.03856	3.2
177.05486	1.8
181.04936	2.7
189.05553	2.4
193.04979	2.0
205.05008	4.1
217.04935	4.7
223.27216	1.9
223.53532	1.8
229.05095	2.8
235.06027	4.4
247.05994	3.3
259.06085	6.6
271.06125	2.2
283.06027	1.9
289.06927	2.3
323.09036	2.2
341.10254	4.8
353.10138	3.1
383.11041	4.1
395.11310	5.4
407.11340	3.1
419.11801	2.0
425.12701	3.0
431.13278	6.6
443.12997	2.9
449.12222	4.8
461.14307	7.4
467.12784	2.4
497.14520	3.3
498.66281	2.0
509.14725	2.3
527.15381	2.4
573.80145	2.4
751.62830	1.9
756.39606	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	761.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36423	2.5
65.40047	2.3
71.14387	2.0
72.32986	2.2
84.06627	2.0
92.69783	2.3
102.98262	2.5
107.28350	2.4
118.06224	2.5
129.07054	12.0
131.04929	6.0
131.08603	7.4
137.05957	15.7
141.06996	5.2
151.03970	4.2
152.04288	3.2
157.06567	7.2
158.07286	4.5
159.08083	8.0
168.15099	3.0
174.06752	14.2
175.07555	6.2
176.21417	2.9
189.09068	27.4
201.09190	10.6
219.10147	100.0
383.60129	2.8
484.44095	3.6
559.23523	4.8
577.24359	8.0
593.24420	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	762.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
67.87653	0.2
74.49478	0.2
77.03889	0.3
91.05474	3.1
93.07037	5.5
94.11243	0.2
95.04963	1.6
98.63881	0.4
99.47553	0.2
103.05461	3.2
105.04501	0.4
113.41408	0.2
118.06547	0.3
121.06498	100.0
122.06826	1.5
127.03895	1.3
134.42796	0.2
139.03920	0.9
151.03949	0.5
152.10698	47.6
153.11070	0.4
171.49910	0.3
177.74780	0.3
179.03346	0.4
206.31047	0.3
257.04456	0.3
287.05347	0.4
305.06610	0.3
651.64056	0.3
735.60547	0.3
772.16925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.5572
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60183	5.5
57.07068	50.3
57.26802	3.8
66.20731	4.7
69.71264	4.1
71.08614	29.2
73.02888	4.8
73.06541	12.5
79.90118	4.9
83.88982	4.7
85.10152	23.8
87.04455	18.0
89.06019	100.0
105.03391	6.1
105.14454	4.2
117.09125	14.7
119.71246	4.6
130.08635	31.1
133.08601	55.0
177.11295	24.3
240.23422	7.6
243.23187	6.3
256.26373	6.1
396.07898	5.7
464.38083	6.8
597.36774	7.8
611.44104	6.3
634.73950	5.9
689.18500	6.8
690.90338	7.1
691.10626	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	763.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
62.67287	3.7
63.36581	4.5
63.89446	5.4
66.75211	4.1
68.05002	10.9
79.17088	4.5
80.03941	4.8
84.04504	13.2
94.06577	5.4
96.08105	13.5
98.02734	5.3
101.07185	6.0
103.82484	5.0
108.08113	34.8
110.09685	15.6
120.08096	41.8
121.08914	8.5
122.06056	10.4
122.09665	45.7
124.07554	6.6
130.04997	7.8
134.09688	8.1
135.09189	34.7
136.07623	11.7
137.10924	5.5
138.09145	55.4
147.09164	7.0
149.10757	7.6
150.05527	17.1
150.09161	19.6
151.08665	7.9
151.09903	7.1
152.10664	36.2
157.06082	15.6
165.10225	89.2
167.11797	12.5
169.07404	5.8
173.10806	8.4
177.10204	31.1
177.46077	6.0
189.10278	11.8
191.11758	14.7
193.13385	46.4
205.13347	11.9
206.12862	9.3
217.09737	6.9
219.11577	6.0
235.10783	46.4
237.12318	50.5
240.46616	6.5
248.11540	11.7
249.12390	24.7
249.14758	16.5
252.13365	23.3
261.12173	6.7
263.10315	50.2
277.11938	8.5
278.15149	12.7
279.13315	13.3
280.12894	51.3
288.81891	6.8
295.15207	31.9
351.96652	7.2
503.15546	7.3
590.43628	6.7
626.24304	8.6
695.54626	6.9
746.29968	20.5
763.32806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31730	3.4
59.12748	3.9
68.05004	16.9
70.06570	15.3
79.05479	4.7
79.98203	4.5
84.04493	17.8
85.02888	5.1
91.85334	4.7
96.08121	16.3
98.46557	4.8
101.07111	4.9
108.08113	39.7
110.09666	15.7
114.05492	6.8
120.08086	44.9
121.08885	8.3
122.06021	19.7
122.09666	42.9
123.09189	10.0
124.07588	8.9
130.05000	11.8
132.08080	6.4
134.09698	4.9
135.09187	41.7
136.07591	15.7
138.09125	62.6
140.10703	7.0
144.08054	5.5
147.09044	6.4
149.10820	5.7
150.05513	23.7
150.09111	28.4
151.08649	12.1
152.10719	29.7
157.06085	10.5
159.09151	8.2
161.10800	5.5
165.10229	96.4
167.11853	21.6
168.36433	4.6
174.09111	6.2
177.10204	36.2
190.11362	4.4
191.11838	23.5
191.58080	5.0
193.13342	44.9
197.12762	4.5
203.08163	6.4
204.10178	14.1
205.13329	15.7
213.10159	5.7
214.90750	5.0
217.09755	8.3
219.11333	5.3
231.11166	8.4
232.12042	6.8
233.12817	4.8
235.10764	51.7
237.12309	48.6
246.99019	4.9
248.11653	8.7
249.12257	30.2
249.14767	23.7
252.13431	26.3
257.09244	5.9
261.08731	11.3
261.12256	9.6
263.10239	51.6
265.14191	5.7
277.11832	12.2
278.12219	5.7
278.14972	7.6
279.13400	14.9
280.12894	47.1
295.15237	47.0
313.08273	13.5
469.73209	5.4
503.45947	5.2
526.35010	5.0
626.24628	8.6
685.14294	5.3
746.30298	22.4
763.32959	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91040	3.7
70.80192	4.0
74.60396	4.2
94.06566	5.6
95.04852	4.4
96.08122	18.6
108.08111	20.4
110.09664	10.4
113.22977	4.7
120.08083	23.8
122.06008	12.3
122.09703	25.5
124.07582	12.9
124.28091	4.1
135.09172	31.0
136.07581	8.8
138.09122	39.7
147.09140	7.7
150.05528	17.0
150.09134	19.3
151.08667	11.5
152.10687	11.4
164.07054	5.7
165.10231	16.0
168.17824	4.5
173.10675	5.7
177.10228	15.5
185.15088	4.9
189.10213	18.7
191.11833	7.2
193.13326	13.3
203.08475	5.0
203.11819	6.3
204.10150	8.4
205.13397	5.5
211.34171	4.9
217.09735	8.1
233.12914	10.1
235.10712	13.2
237.12354	46.1
249.12421	8.1
250.13065	7.7
251.13913	16.9
253.11774	52.2
261.08398	7.1
263.10388	12.6
279.13293	9.0
281.11310	100.0
296.13702	23.2
297.14456	10.0
349.13892	20.5
627.22821	19.2
764.31335	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	764.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
63.93417	4.7
70.43605	4.9
82.83584	5.5
84.04478	6.0
85.02906	5.7
96.08121	23.4
103.97942	5.8
108.08102	26.2
110.09690	13.3
120.08132	36.8
122.05970	13.0
122.09670	42.5
123.09209	7.9
124.07590	19.0
135.09171	33.3
136.07573	9.5
138.09123	55.9
147.09206	8.4
149.10799	6.4
150.05534	16.1
150.09125	29.2
151.08664	13.8
152.10709	12.2
161.10852	7.6
165.10248	22.6
168.10213	6.5
173.10745	7.7
175.58809	6.6
177.10234	24.7
189.10248	13.7
191.11903	12.0
193.13361	17.6
205.13286	8.9
207.11270	10.8
209.54634	6.6
217.09827	7.7
235.10826	20.1
237.12338	66.6
249.12419	8.2
250.13087	10.0
251.14001	32.1
253.11806	61.5
263.10327	25.7
266.12500	9.8
279.13373	17.3
281.11285	93.3
295.13123	11.1
296.13596	34.1
297.14633	8.3
349.14050	15.1
411.28250	7.3
571.53137	8.6
627.23199	35.5
641.39429	6.3
764.31384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
63.93417	4.7
70.43605	4.9
82.83584	5.5
84.04478	6.0
85.02906	5.7
96.08121	23.4
103.97942	5.8
108.08102	26.2
110.09690	13.3
120.08132	36.8
122.05970	13.0
122.09670	42.5
123.09209	7.9
124.07590	19.0
135.09171	33.3
136.07573	9.5
138.09123	55.9
147.09206	8.4
149.10799	6.4
150.05534	16.1
150.09125	29.2
151.08664	13.8
152.10709	12.2
161.10852	7.6
165.10248	22.6
168.10213	6.5
173.10745	7.7
175.58809	6.6
177.10234	24.7
189.10248	13.7
191.11903	12.0
193.13361	17.6
205.13286	8.9
207.11270	10.8
209.54634	6.6
217.09827	7.7
235.10826	20.1
237.12338	66.6
249.12419	8.2
250.13087	10.0
251.14001	32.1
253.11806	61.5
263.10327	25.7
266.12500	9.8
279.13373	17.3
281.11285	93.3
295.13123	11.1
296.13596	34.1
297.14633	8.3
349.14050	15.1
411.28250	7.3
571.53137	8.6
627.23199	35.5
641.39429	6.3
764.31384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.9
64.67471	2.8
67.05499	4.2
69.03416	7.1
81.03399	31.0
81.07034	8.1
87.36024	3.3
90.95115	3.4
92.78032	3.7
95.08600	4.0
97.02885	15.6
107.08578	3.4
109.02871	100.0
109.10190	5.1
127.03907	16.7
135.25575	4.1
147.04427	4.4
150.99098	4.4
159.06520	7.1
169.04979	13.6
222.34389	4.2
229.07021	8.3
250.54796	3.6
287.57068	4.1
289.09515	5.2
335.76102	4.0
339.25076	4.0
511.49606	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	764.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62168	13.6
55.05508	16.8
55.28830	13.8
61.88144	11.9
65.82247	15.8
67.05496	100.0
69.07079	18.3
72.77191	15.8
74.55374	17.6
78.74970	14.1
78.89365	17.1
79.05477	53.7
81.07042	80.6
91.05473	35.6
92.73018	15.7
93.07034	73.3
95.08589	60.8
98.10294	16.4
107.08584	36.5
109.10138	23.2
119.08578	25.6
119.37563	14.7
121.10144	27.6
133.10107	27.5
134.80876	16.0
145.10168	28.2
147.11665	24.4
154.96512	17.2
198.37047	16.6
287.27051	16.1
302.93073	16.7
307.22830	52.2
316.44592	16.6
331.80463	19.2
335.25839	50.0
453.26352	20.8
791.81329	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	764.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29282	31.6
59.60516	28.2
63.67459	27.5
67.05492	100.0
74.25153	30.6
81.07044	98.1
91.05457	38.3
93.07029	79.3
95.08617	84.8
105.07005	51.1
113.31704	35.3
115.46458	32.4
117.07017	37.7
121.10094	49.7
133.10130	44.5
135.11740	41.9
169.36923	41.1
238.00098	33.3
265.83157	42.0
515.68170	36.0
537.03650	36.7
592.81335	36.3
640.72748	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	25.6
56.06156	9.4
57.03431	12.2
59.62442	9.2
67.05491	94.3
69.03445	10.3
69.07050	30.6
71.63863	10.0
79.05474	35.7
81.07035	100.0
83.08645	15.6
91.05462	30.1
91.71039	12.7
93.07016	65.4
95.08604	53.7
100.27387	10.7
105.07010	25.1
105.85391	14.8
107.08575	47.0
109.10136	29.3
119.08566	27.4
121.10145	33.1
121.72687	11.5
131.08556	29.0
133.10135	19.9
135.11702	52.2
145.10097	25.8
147.11700	20.2
147.69508	11.8
149.13300	32.0
159.11719	15.0
215.18010	28.8
233.19032	42.5
310.04523	13.6
340.74213	13.3
618.74506	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	764.5815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	63.4
66.07620	22.0
67.05490	100.0
67.97296	19.8
69.07059	59.4
79.05504	38.1
81.07036	68.0
81.28686	22.7
91.05492	19.9
93.07038	41.2
95.08602	79.2
107.08544	30.2
119.08509	29.0
120.19988	20.0
140.95573	22.9
144.25182	25.1
150.05264	23.1
237.52953	24.1
279.65741	24.0
685.43878	28.3
711.53223	89.9
729.54327	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	764.5817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	23.3
57.03427	8.8
57.07054	9.9
67.05494	43.4
69.07059	35.2
79.05472	22.9
80.45394	4.1
81.07048	43.0
83.08603	13.6
91.05459	17.8
93.07048	28.8
95.08615	31.2
97.10143	5.1
105.07043	6.2
107.08608	9.7
109.10152	15.8
119.08585	5.5
120.54613	5.5
121.10133	11.0
129.54971	4.6
133.10121	8.4
134.58490	4.7
135.11639	12.2
149.13257	5.6
152.78838	4.4
163.27104	5.6
190.20058	5.5
224.66156	4.9
239.07213	9.0
251.10652	5.0
263.07050	6.5
267.06583	6.4
307.22745	17.7
335.25702	10.4
359.68326	5.5
433.65341	5.9
449.54132	5.8
693.52155	9.0
711.53418	100.0
712.52344	7.3
729.54553	35.8
755.24622	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	764.5815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	63.4
66.07620	22.0
67.05490	100.0
67.97296	19.8
69.07059	59.4
79.05504	38.1
81.07036	68.0
81.28686	22.7
91.05492	19.9
93.07038	41.2
95.08602	79.2
107.08544	30.2
119.08509	29.0
120.19988	20.0
140.95573	22.9
144.25182	25.1
150.05264	23.1
237.52953	24.1
279.65741	24.0
685.43878	28.3
711.53223	89.9
729.54327	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	766.5453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	40.7
57.03450	24.6
60.28762	17.2
67.05511	93.1
69.07064	47.1
79.05464	34.1
81.07052	100.0
91.05507	31.5
93.07005	29.9
95.08602	80.7
107.08585	37.6
109.10146	20.5
114.03030	18.1
121.10165	34.9
123.11688	20.3
126.30492	20.5
135.11765	18.7
180.38449	18.5
182.97008	20.3
226.53618	22.3
259.92642	19.2
306.27881	31.2
309.24265	37.8
332.70126	19.5
335.25742	51.4
360.94012	21.8
427.20523	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	767.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68939	3.4
68.69791	3.6
76.20779	3.3
79.32352	3.1
89.92133	3.6
117.88373	4.2
175.34671	4.2
270.55215	4.7
296.20810	4.6
441.82977	4.7
609.71893	4.9
670.57483	5.8
767.31415	7.3
767.44897	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52872	3.1
64.72992	3.3
69.57452	3.6
72.21290	3.5
96.61041	4.1
97.63864	3.3
98.39423	3.5
109.47639	3.4
132.23468	3.6
132.75540	3.4
134.34042	3.8
141.42102	4.0
146.82892	3.7
176.77950	4.7
185.32895	4.4
204.31818	3.5
648.62323	5.0
654.47260	4.3
689.70532	4.6
756.54205	4.4
767.44586	100.0
768.43866	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4487
Annotation	Integerrimide B
Peak:m/z	Relative Intensity
59.11663	3.1
91.11523	4.2
91.71036	8.7
94.70769	3.7
103.07238	4.3
107.60777	3.8
132.07413	4.8
177.32112	4.3
293.70908	4.4
311.98178	5.8
328.26965	5.5
477.70355	5.6
724.15521	6.2
767.44733	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23415	15.6
61.68756	16.2
65.20681	14.9
81.07037	20.0
95.26537	16.8
165.86699	18.3
199.86261	19.1
278.80710	19.4
414.41965	24.8
723.49768	62.8
756.35651	24.2
767.48474	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68815	20.6
56.23322	20.6
71.58966	20.9
73.59687	23.5
73.72887	31.3
73.95017	19.9
83.15898	23.0
146.34763	26.4
312.98785	28.6
431.08020	28.2
531.27423	56.7
767.51825	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67326	4.7
69.12160	5.1
81.65106	6.8
101.80099	6.1
128.54721	6.0
141.05493	6.7
151.03914	100.0
151.05049	10.1
168.25111	5.6
182.62906	6.3
184.03822	6.2
242.05806	12.9
253.09242	6.2
270.05249	20.3
283.05957	95.1
285.07571	48.2
327.08429	7.7
332.22101	8.0
338.12613	7.7
344.35760	6.9
389.87091	6.2
433.09399	11.7
511.40546	7.2
769.17450	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	769.176
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53457	1.6
61.98172	1.5
66.57161	1.8
72.41290	1.7
73.21182	1.8
76.41315	2.4
98.53178	1.8
108.72820	1.8
115.14076	2.1
123.04418	3.2
139.03918	3.9
145.94662	2.2
151.03862	10.3
162.55208	2.1
179.03310	2.3
217.70497	2.0
242.05727	28.2
254.05768	4.2
270.05194	54.2
271.06067	2.2
282.05307	7.9
285.07541	100.0
294.05344	4.6
297.07513	16.2
309.07477	6.4
318.08917	7.7
322.04614	3.0
325.07104	2.3
327.08722	2.3
334.04639	2.5
335.09094	4.9
337.07416	2.9
346.08426	4.8
347.09283	2.8
349.06989	2.6
361.10638	8.9
363.08493	3.5
365.10135	2.6
374.07974	4.7
389.10239	14.2
391.08142	10.3
402.07654	3.1
405.09155	2.5
417.09695	5.6
421.09207	4.4
430.06812	6.3
433.09201	20.3
435.10764	4.1
445.09106	31.2
463.10236	29.3
583.12012	4.0
596.50916	2.6
601.12640	2.9
688.09808	2.6
769.17554	40.6
770.17615	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	769.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38970	0.9
54.56818	1.0
55.01870	1.7
57.07069	22.0
66.08767	1.0
68.52394	1.5
75.30343	1.3
81.03413	3.2
81.07040	8.4
82.38052	1.2
85.06514	8.5
87.97443	1.1
91.05461	6.8
94.04174	1.7
95.04942	1.5
98.74095	1.3
103.05450	2.0
105.07026	3.5
109.06490	6.7
115.05450	2.0
119.04949	4.9
121.06504	1.8
122.03648	4.5
129.06993	4.6
131.04857	2.8
131.08543	3.0
133.06509	1.5
137.05968	100.0
145.06477	2.1
147.04430	2.4
151.03865	3.2
151.07550	7.4
155.10364	1.4
157.06461	3.1
160.05185	2.5
161.06000	4.1
163.07501	1.4
173.06085	1.4
173.09601	1.5
175.07533	18.3
184.05211	1.4
187.07559	7.2
189.09041	6.4
199.07492	3.0
201.09131	2.6
205.08652	3.5
217.08606	3.0
229.08554	2.6
235.09756	2.3
243.13657	1.6
253.12424	2.0
257.15338	1.8
297.14783	6.1
308.07095	1.6
381.20547	43.2
396.24072	1.6
396.37643	1.3
421.22363	1.4
425.02112	1.5
429.68347	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	769.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	25.1
57.07318	2.0
57.70524	1.2
63.21106	1.1
65.03938	1.1
76.09612	1.2
77.62491	1.2
79.05492	2.4
81.03419	4.1
81.07038	8.5
83.04980	1.8
85.06532	11.2
90.74492	1.3
91.05496	5.8
94.04189	1.9
95.04984	2.0
98.98976	1.3
103.05533	1.9
105.07063	3.3
109.06529	8.8
117.07072	1.6
119.04959	4.9
121.06467	1.6
122.03676	4.9
128.06239	1.3
129.07034	4.5
131.08633	3.3
133.06519	2.3
137.05974	100.0
145.06499	2.1
147.04431	2.2
151.03918	2.6
151.07555	8.1
153.05522	2.7
157.06569	3.7
161.06001	3.3
173.09663	2.6
174.06802	1.6
175.07541	14.8
175.11304	1.7
185.06000	1.5
187.07616	6.0
189.09178	5.3
199.07544	3.3
201.09232	1.8
205.08652	3.3
211.07623	2.1
213.09114	3.2
215.14749	1.4
217.08704	4.2
221.09514	1.4
229.08687	2.4
229.12161	1.7
235.09697	2.4
243.14015	2.1
243.63170	1.6
249.09074	1.4
281.11780	1.8
297.14893	6.5
335.12848	1.8
381.20587	57.0
382.21619	1.7
682.85535	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	769.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05571	7.1
76.80501	7.2
77.99326	7.8
84.93278	7.4
85.34334	8.2
91.71587	9.7
97.02937	10.1
107.47964	7.4
109.02957	9.1
117.01785	7.5
117.18987	7.8
158.62573	7.8
158.85129	9.2
162.22235	8.3
193.77997	10.7
211.72997	9.4
217.72705	9.1
519.43463	9.0
524.89099	10.2
561.72272	10.8
588.24182	9.8
611.33618	14.6
769.38953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11637	4.9
67.26295	4.7
91.71011	9.3
116.54541	4.9
146.28891	5.6
194.49031	5.5
209.99028	5.7
217.03828	5.1
246.93248	5.5
307.87375	6.2
685.26410	6.5
686.79791	7.4
758.35474	7.1
769.46429	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
65.75774	3.1
81.07087	3.7
81.87727	3.8
109.38494	3.6
129.68170	4.3
150.36868	4.0
253.93831	4.3
328.57254	6.4
381.29642	4.6
383.39429	4.8
769.46484	100.0
770.46460	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	769.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78796	11.3
68.38394	14.3
79.24519	12.1
85.36793	12.5
100.09295	13.2
115.44334	13.0
127.95657	13.4
140.55908	14.5
145.68500	12.7
164.64577	12.7
169.32680	17.0
194.42569	12.8
196.42923	13.3
229.80211	17.8
249.03824	15.9
321.47058	15.6
330.61221	18.0
363.99170	16.3
555.21729	17.3
606.21692	17.7
673.47217	15.3
769.46545	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77726	0.8
55.05508	3.0
57.03436	4.6
61.02917	10.2
62.12406	0.8
67.05492	10.5
67.05775	0.9
69.03430	8.8
69.07078	3.1
71.01363	0.9
71.04986	1.0
73.02913	6.9
76.35607	1.0
79.05489	7.8
81.03426	3.5
81.07045	11.4
81.07468	1.0
81.16777	0.9
83.08614	1.3
85.02901	14.4
85.76692	1.3
85.84605	1.0
91.03932	7.0
91.05502	4.9
93.07040	11.9
95.05007	1.8
95.08601	8.8
97.02894	11.5
99.04472	2.7
101.02410	4.6
105.07065	3.3
107.08617	5.0
109.02881	1.5
109.10149	2.4
109.72866	0.9
119.08601	2.4
121.10117	5.1
127.03950	3.6
131.08607	2.1
133.10185	2.6
133.11201	1.4
145.10184	1.5
151.42876	1.0
155.57573	1.1
159.11797	1.2
204.74072	1.3
233.31412	1.2
243.08495	2.8
319.45871	1.3
491.26199	12.3
519.29559	3.9
586.06915	1.2
751.52533	6.1
756.28949	1.4
769.48572	100.0
770.48761	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	770.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19466	13.1
54.59199	12.2
59.50681	16.1
67.35051	14.4
68.71735	15.3
79.05485	19.2
79.47097	19.8
79.62463	17.2
81.07033	22.5
85.01657	16.8
101.35093	18.6
110.92159	18.4
114.50220	19.5
124.42451	17.5
131.08456	24.3
236.94257	20.4
302.17218	48.6
306.48270	20.9
756.51489	23.2
770.44397	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.213
Annotation	Isorhamnetin 3-(6'''-p-coumaroylglucosyl)-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
55.01849	0.3
55.05536	0.3
56.63919	0.3
56.96381	0.2
60.16469	0.2
65.03919	1.0
69.03415	3.3
71.04970	0.7
77.95626	0.3
81.03407	2.7
83.04948	2.2
85.02908	1.4
90.30600	0.3
91.05466	11.9
97.02898	1.5
99.04356	0.3
103.45206	0.3
105.07035	0.4
105.94404	0.3
107.04951	2.0
109.02864	0.7
111.04393	0.7
115.05453	1.2
119.04929	29.5
119.27040	0.3
120.05281	0.3
124.47273	0.3
127.03948	0.4
129.07004	0.3
131.04948	0.3
133.06473	1.1
143.04887	1.5
145.06476	0.7
147.04393	100.0
148.04721	1.0
151.03879	1.9
153.01814	1.0
157.06450	0.8
159.04419	0.6
160.74074	0.3
161.05975	1.6
165.05481	2.1
165.06921	0.6
169.05003	0.4
169.51700	0.3
171.04375	2.9
173.05966	0.8
175.03839	0.3
177.05466	1.5
183.08041	0.5
185.05981	0.6
187.03841	0.3
187.07549	0.3
189.05418	4.4
197.05952	0.6
201.05519	0.3
211.07504	1.2
213.05481	1.7
215.06914	0.3
221.06099	0.3
229.04910	0.5
239.06978	1.7
257.08127	2.4
274.04456	0.3
275.09052	1.7
285.03793	0.3
291.08530	1.1
293.10159	5.4
302.04114	1.2
309.09613	0.4
315.08282	0.3
317.06509	14.1
359.07669	1.3
437.14355	0.3
445.10950	0.3
455.15009	0.3
463.12329	0.6
488.46619	0.3
609.87604	0.3
630.02539	0.4
632.20239	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2126
Annotation	Isorhamnetin 3-(6'''-p-coumaroylglucosyl)-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
55.05486	0.4
57.03414	0.4
57.65180	0.2
65.03919	1.0
69.03419	1.6
71.04959	1.0
81.03407	3.6
83.04964	2.1
85.02890	1.8
85.28851	0.2
91.05467	8.7
95.04944	0.4
97.02871	1.8
99.04450	0.4
107.04937	2.7
109.02884	1.4
111.04417	1.3
119.04930	24.6
123.04430	0.8
127.03899	1.0
131.04921	0.3
133.06516	0.2
147.04398	100.0
148.04715	1.0
151.03882	2.0
153.01790	0.3
156.50023	0.2
161.05969	0.8
165.05458	5.2
165.06857	0.4
169.04948	0.7
170.28807	0.2
195.91248	0.3
211.82378	0.2
213.09018	0.6
215.06900	0.3
239.07135	0.3
242.52179	0.3
245.81514	0.3
257.07996	2.4
291.08600	2.6
293.10156	0.3
302.04129	0.6
309.09607	1.8
317.06506	5.3
329.06479	0.8
359.07632	1.7
383.07690	0.3
410.35391	0.3
427.10123	0.7
445.11084	0.5
463.12296	0.8
550.66339	0.3
608.61810	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2126
Annotation	Isorhamnetin 3-(4'''-p-coumarylrobinobioside)
Peak:m/z	Relative Intensity
55.67567	0.8
57.03403	1.0
67.35426	0.8
69.03416	1.7
80.33813	0.9
81.03404	4.6
83.04964	2.4
85.02906	2.4
89.03907	6.6
95.04972	1.0
109.02882	1.5
111.04485	1.0
117.03377	13.8
121.02847	1.7
123.04461	1.2
134.03648	1.3
135.04407	2.3
136.18929	1.0
137.06000	3.1
145.02846	32.7
149.05959	7.3
151.03879	1.3
158.05986	5.6
162.05473	1.3
177.05463	100.0
178.05852	1.9
181.55530	1.0
183.07956	1.1
186.05484	19.1
189.05521	2.0
201.80952	1.1
236.00829	1.2
236.64923	1.2
243.10153	1.2
245.74727	1.0
264.01056	1.3
287.05515	6.7
287.09268	3.0
321.09686	2.4
329.06638	3.5
339.10797	3.4
379.07489	1.1
397.09024	1.5
431.13672	1.7
433.11115	1.7
554.86951	1.1
655.42200	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2328
Annotation	Isorhamnetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)glucoside
Peak:m/z	Relative Intensity
61.25786	3.3
65.85494	3.3
71.04980	19.9
74.55034	3.0
78.57631	4.2
83.04971	3.6
84.93974	3.7
85.02885	23.8
91.71104	4.5
129.05524	5.0
139.03876	5.9
151.03918	6.0
153.01863	6.7
154.62509	4.3
156.40956	4.1
226.06226	6.6
229.05026	5.3
254.05817	12.1
268.07043	5.3
282.05185	12.1
285.07712	6.0
297.07513	64.7
302.04321	11.2
317.06479	100.0
465.11835	8.9
567.15088	5.3
643.03290	4.9
756.33386	5.3
771.19257	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	771.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92130	3.2
57.07067	38.5
64.89504	3.4
77.25913	2.9
81.07044	12.2
83.04953	3.8
85.06523	14.0
91.05463	11.7
103.78751	4.0
105.07053	4.8
109.06512	14.2
114.45055	3.7
119.04967	7.5
122.03683	3.3
129.07004	4.8
131.08572	6.0
137.05966	100.0
137.09529	3.7
141.06996	3.8
141.73904	3.5
148.65494	4.4
151.03915	3.6
151.07532	10.3
155.08566	3.4
163.07610	4.1
165.95651	3.6
175.07515	3.8
187.07596	4.2
194.24051	3.8
202.61740	3.8
213.09172	7.6
229.08676	4.6
243.10294	5.6
245.15114	3.9
273.11176	8.2
297.14899	7.9
381.20599	97.9
397.16437	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	771.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	33.0
59.75694	2.6
64.33183	2.8
65.03928	2.6
70.23230	3.0
74.92786	3.3
75.83307	2.9
77.56396	3.6
79.05451	3.2
81.07046	11.4
85.06535	17.5
91.05468	13.2
95.04924	4.2
100.47025	2.6
107.04939	6.5
109.06504	8.7
110.43785	3.0
119.04968	7.0
122.03670	4.5
128.99513	3.1
129.06966	6.7
131.08591	5.8
137.05965	100.0
137.06941	6.6
138.06215	3.5
149.36452	3.1
151.07527	11.3
153.05481	4.7
159.08029	4.0
161.05945	3.9
173.09601	3.3
174.06750	5.0
175.07581	4.1
183.08182	3.6
187.07501	6.4
188.20908	3.3
189.09102	7.0
201.09114	6.0
213.09103	9.0
215.06595	3.2
215.10696	4.3
219.10146	16.0
225.09029	4.2
243.10059	5.3
249.09061	5.5
267.03558	4.0
297.14917	10.8
354.14413	9.0
381.20547	87.6
382.20374	3.7
397.16422	37.2
747.42468	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	771.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	6.7
57.03426	4.4
57.13623	3.5
61.02907	10.1
63.32182	3.8
65.10410	3.9
67.05489	14.0
69.03415	9.7
73.02918	5.3
75.82056	4.3
79.05492	5.2
81.07036	13.0
85.02882	8.7
91.03948	6.6
91.70905	8.9
95.08615	10.3
97.02870	11.8
101.02375	6.0
105.62397	4.7
111.80861	4.5
152.66673	4.8
155.05406	4.9
178.71631	5.3
199.31451	4.5
367.42572	6.0
411.44193	5.9
493.27521	8.2
544.80890	6.8
771.49963	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.7
55.05503	18.5
57.03419	10.7
57.07056	4.2
57.64217	2.1
58.74175	2.4
59.06113	2.1
61.02919	26.5
65.03922	3.6
67.05495	42.9
68.24693	2.6
69.03423	18.8
69.07053	17.9
71.04962	3.5
73.02901	9.8
75.38753	3.0
79.05482	18.7
81.03383	7.0
81.07046	44.1
83.04942	2.9
83.08603	10.8
85.02906	16.9
91.03942	10.1
91.05472	30.2
91.71700	6.0
93.07030	29.3
93.65067	2.2
95.04952	5.2
95.08598	34.6
97.02882	23.5
97.10167	4.1
101.02377	6.2
105.07032	25.0
107.08604	18.7
109.10156	14.6
115.05424	3.0
117.07000	16.6
119.08575	24.9
121.10111	16.7
123.04458	2.5
123.11736	2.8
127.03949	3.8
128.06198	4.0
129.06993	22.1
131.08588	20.7
133.10141	17.7
135.11699	6.8
137.14146	3.1
141.06966	5.6
142.07762	3.5
143.08575	18.9
145.05002	3.6
145.10126	20.6
147.11679	11.7
153.07008	3.2
155.08559	16.3
157.10135	20.0
159.11699	13.0
159.83777	2.6
161.11278	2.8
161.13248	7.8
163.14928	3.5
167.08533	6.9
169.10115	18.5
171.11690	19.5
173.13243	6.9
179.08539	5.1
181.10135	10.0
183.11670	18.6
185.13274	13.4
187.14929	5.1
193.10034	4.2
194.05856	2.7
195.11699	10.3
197.13242	15.0
199.14856	8.0
207.11658	4.7
209.13271	10.6
211.14789	5.5
211.61301	2.9
213.28767	2.6
221.13347	3.2
223.14772	6.4
225.16344	2.8
235.14807	3.9
237.16447	3.6
239.17926	3.6
279.21152	3.2
351.26614	4.8
355.26379	3.7
447.31897	3.8
517.40259	6.5
535.42108	3.5
591.44104	4.5
609.45093	100.0
735.49103	3.9
771.50507	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	771.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	21.6
55.72250	8.3
61.02914	22.4
67.05483	37.3
69.03400	16.6
69.07063	17.6
79.05486	14.8
81.03416	10.5
81.07034	32.5
85.02854	15.1
85.80654	7.9
91.03968	9.0
91.05483	24.4
93.07040	26.2
95.04975	10.5
95.08599	31.5
97.02881	24.6
101.02396	9.8
101.65439	9.8
105.07026	24.7
107.08548	9.7
109.10170	13.9
112.94910	9.1
117.25416	8.7
119.08585	21.7
121.10102	11.2
129.06909	9.6
131.08553	16.4
133.10077	16.6
138.58324	10.2
143.08607	13.5
145.10086	17.9
147.11681	12.7
155.08435	15.3
157.10103	12.0
159.11725	15.1
161.13144	9.9
169.10124	16.1
171.11635	14.5
195.11688	14.0
199.14757	13.4
253.34407	10.2
413.51410	13.4
609.44958	100.0
771.49896	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	773.192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95881	0.6
60.89815	0.6
62.08231	0.6
63.90986	0.6
65.03941	0.8
69.03418	3.5
69.46592	0.6
81.03411	1.5
83.04960	2.7
85.02883	1.8
91.05474	11.0
97.02895	1.5
107.04956	2.1
111.04460	0.8
115.05394	0.8
119.04936	25.5
127.03832	1.0
133.06516	1.6
137.05972	2.8
147.04407	100.0
148.04761	0.9
153.01805	1.4
161.05994	1.8
163.03891	2.1
165.05493	2.0
171.04408	2.1
175.03850	0.8
189.05405	3.9
211.07544	1.5
213.05495	1.5
215.07016	0.8
239.07050	1.9
257.07999	2.4
275.09082	2.5
291.08600	1.3
293.10242	5.8
303.04956	1.8
309.09470	1.0
319.04462	14.2
319.68533	0.8
361.05652	1.5
462.35901	0.9
465.10382	0.9
631.06122	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37521	0.6
65.03919	1.1
69.03403	1.6
71.04977	1.3
78.45138	0.5
81.03414	3.3
81.41087	0.5
82.58705	0.5
83.04958	2.2
85.02859	1.7
91.05470	9.3
97.02885	1.6
102.09930	0.5
107.04955	1.8
109.02853	1.2
119.04934	25.6
120.21170	0.6
147.04401	100.0
148.04773	0.8
151.03871	1.0
153.01799	0.6
165.05476	5.8
186.20923	0.6
210.03671	0.6
257.08093	2.4
291.08624	2.3
305.27313	0.7
309.09607	2.7
310.74863	0.6
319.04468	4.2
331.04633	1.4
361.05383	1.9
429.08221	0.8
447.09225	0.9
465.09897	1.1
550.22290	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60798	3.2
55.01851	3.7
55.64741	2.9
57.30712	2.9
72.40591	3.7
88.24755	3.8
103.05451	10.8
110.15714	4.2
123.04469	5.7
131.04913	24.6
132.09306	4.4
137.05956	5.8
139.03899	100.0
147.04340	5.7
151.03909	24.7
163.03926	6.1
175.03951	13.0
179.03357	29.4
185.25604	4.5
189.05469	10.4
197.05956	5.6
203.03268	19.2
213.05402	7.3
215.03398	6.0
217.05028	5.5
243.06548	5.1
245.04437	9.3
257.04376	14.1
269.04507	8.6
271.06082	13.2
275.05453	10.6
287.05539	27.9
299.05423	58.7
317.06519	45.0
359.17215	4.3
395.59149	4.0
425.12329	6.9
437.08514	21.7
455.09882	9.1
605.15918	4.6
639.12183	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	773.2132
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
57.03428	5.6
61.38802	0.8
65.86872	0.9
69.03413	4.4
71.04982	38.6
73.02900	1.7
75.04470	2.9
77.42933	1.0
79.71960	0.9
83.04970	4.9
84.04452	1.0
85.02894	46.3
86.09657	1.4
97.02873	2.3
97.30499	1.0
99.63297	0.9
102.25809	1.1
108.05387	0.9
109.02850	1.1
111.00826	1.1
111.04441	2.7
121.02899	1.5
127.03896	2.2
129.05467	9.7
137.02362	2.9
145.04997	2.1
147.06544	2.6
153.01799	2.5
165.01811	2.0
202.12155	1.2
229.04996	2.8
257.04404	2.6
303.04950	100.0
304.05222	2.2
315.05063	1.6
317.06497	3.4
345.06036	3.7
449.10718	1.5
465.10294	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	773.2133
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01849	0.4
56.05011	0.3
57.03434	2.6
59.95941	0.3
61.02898	0.6
61.47096	0.3
64.93931	0.3
68.99746	0.3
69.03413	1.4
71.04984	14.7
71.05378	0.7
74.40451	0.3
75.04464	0.7
81.03377	0.8
83.04972	1.2
85.02896	19.2
86.06036	0.3
87.04481	0.5
92.78926	0.7
97.02885	1.8
98.06043	0.6
99.04438	0.5
109.02863	0.9
111.00755	0.7
111.04419	0.5
121.02857	0.9
127.03901	1.2
129.05476	2.8
137.02316	2.7
145.04913	0.7
147.06528	0.9
149.02336	0.6
153.01843	3.2
162.07938	0.3
162.49934	0.3
163.03827	0.5
165.01811	1.4
173.05983	0.5
183.02863	0.8
187.03943	0.4
192.09578	0.3
201.05504	1.2
229.04935	3.3
247.05830	0.7
257.04358	2.0
274.04572	0.8
285.03915	1.1
303.04962	100.0
304.05176	2.0
361.00650	0.3
361.61090	0.3
379.54144	0.4
384.43747	0.5
465.10226	21.2
466.10547	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2135
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
57.03428	2.8
61.02907	1.2
69.03421	1.4
71.04984	15.2
81.03417	1.4
83.04980	0.8
85.02895	19.4
92.78969	0.6
94.56015	0.5
97.02880	1.7
111.00807	1.0
111.04458	0.5
111.54893	0.6
121.02900	0.6
127.03928	1.0
129.05455	2.5
137.02316	2.8
153.01797	2.6
165.01810	1.2
183.02766	1.2
201.05441	1.8
229.04950	3.2
247.06078	0.9
257.04398	1.9
274.04889	0.7
285.03757	1.3
303.04956	100.0
304.05176	2.2
330.20667	0.6
345.05890	0.8
361.72934	0.7
465.10248	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	773.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	5.6
61.38802	0.8
65.86872	0.9
69.03413	4.4
71.04982	38.6
73.02900	1.7
75.04470	2.9
77.42933	1.0
79.71960	0.9
83.04970	4.9
84.04452	1.0
85.02894	46.3
86.09657	1.4
97.02873	2.3
97.30499	1.0
99.63297	0.9
102.25809	1.1
108.05387	0.9
109.02850	1.1
111.00826	1.1
111.04441	2.7
121.02899	1.5
127.03896	2.2
129.05467	9.7
137.02362	2.9
145.04997	2.1
147.06544	2.6
153.01799	2.5
165.01811	2.0
202.12155	1.2
229.04996	2.8
257.04404	2.6
303.04950	100.0
304.05222	2.2
315.05063	1.6
317.06497	3.4
345.06036	3.7
449.10718	1.5
465.10294	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	773.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41690	4.5
56.12849	4.4
63.94660	6.1
119.08611	6.3
179.05940	6.9
180.89282	6.5
304.98172	6.9
355.05762	7.9
525.18347	13.5
742.06805	7.6
773.32648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69746	2.5
55.19152	2.4
57.07061	14.6
60.35059	2.5
69.80034	2.6
79.05423	2.6
81.07030	5.1
81.45579	2.9
85.06534	7.1
91.05476	7.1
93.07031	6.0
93.93292	3.2
95.08609	3.6
100.82076	3.5
101.46590	2.8
109.06507	4.0
120.11349	2.5
122.03664	5.1
125.64739	2.8
129.06981	6.0
131.04893	3.8
131.08598	6.4
132.47324	2.8
137.05975	100.0
137.09605	4.1
145.06540	3.8
146.53987	3.1
157.10141	4.0
159.08020	4.6
174.06708	4.8
175.07646	3.5
187.07578	6.0
189.09056	5.2
196.02260	2.9
201.09050	5.4
211.07448	2.9
213.09045	4.4
219.10208	21.0
229.20163	3.2
246.78003	3.2
365.21075	40.7
377.20612	4.3
383.22092	5.6
395.21924	4.7
397.16412	18.8
398.24170	6.7
413.23242	3.9
483.38000	3.1
584.04236	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	773.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	14.4
81.07031	3.4
85.06525	6.6
91.05469	10.7
93.07034	7.8
95.04951	4.7
103.73254	3.7
107.04966	6.1
109.06507	4.0
117.07008	3.7
129.06995	5.4
131.04987	4.0
131.08511	4.8
137.05977	100.0
137.09474	4.5
159.08156	3.2
169.24477	3.1
175.07507	4.6
183.91278	3.4
187.11227	8.0
213.09059	3.8
227.10925	3.1
229.15880	4.8
237.34186	3.3
239.55170	3.0
243.10188	5.0
273.11285	10.4
310.42883	3.1
365.21057	20.9
377.21289	3.3
395.22208	5.3
397.16302	25.1
413.23743	3.7
631.70648	4.0
717.38367	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	773.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06935	6.8
64.86575	8.0
67.05512	8.4
69.03417	9.0
72.99433	8.1
74.94126	8.6
78.30663	7.4
81.07034	11.7
85.02904	9.7
91.70987	13.7
97.02859	13.6
104.20863	8.0
127.03907	10.8
175.73531	8.9
228.16693	9.6
311.20856	8.7
329.25879	9.6
330.01813	10.3
387.98743	10.8
410.10123	13.4
495.29492	13.0
773.51624	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	25.4
57.03412	17.8
61.97164	9.5
62.61374	9.0
67.05490	100.0
69.07059	13.5
69.28509	10.8
69.28918	15.0
74.59319	9.7
79.05479	41.7
81.07037	83.1
83.08597	12.2
91.05460	59.5
93.07047	69.0
95.08598	49.7
105.07023	48.7
107.08598	27.8
109.10139	18.5
117.07023	20.4
119.08588	51.9
121.10091	24.9
130.48260	11.7
131.08531	20.7
133.10110	35.9
135.11725	23.2
135.12663	12.0
145.10114	27.4
147.11687	32.4
156.46799	11.6
159.11591	28.4
161.13243	23.8
217.33025	12.3
259.20694	23.9
335.25742	32.5
366.47430	12.1
611.46454	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	773.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	23.3
55.87638	4.2
57.03418	16.9
57.07047	6.6
59.06672	3.8
61.02896	8.0
65.03912	5.2
67.05495	100.0
69.06026	3.7
69.07047	28.7
71.00422	4.6
71.04977	4.9
79.05490	51.9
81.07046	92.8
83.04989	6.4
83.08601	14.1
85.02891	8.0
91.05470	70.0
93.07035	71.0
95.04955	10.4
95.08605	61.3
97.06497	12.0
97.10143	6.2
105.07024	57.4
107.08584	38.9
109.06459	4.6
109.10156	18.5
111.08133	5.0
117.07021	22.3
119.08571	50.8
121.10162	33.5
123.11726	7.3
128.06218	5.2
129.06996	11.4
131.08560	32.1
133.10103	45.5
135.11697	24.2
143.08615	11.7
145.10123	28.0
147.11688	25.1
149.13206	9.3
155.08572	6.0
157.10197	10.6
159.11737	30.7
161.13251	16.5
169.10162	6.4
171.11658	6.4
173.13268	15.8
175.14792	17.1
176.42867	4.6
183.11711	7.7
185.13226	11.1
187.14836	7.8
241.19533	16.0
248.74136	4.7
256.28433	5.1
259.20499	25.6
261.22198	5.8
271.26816	5.2
328.16763	5.5
333.24216	21.1
335.25748	53.1
408.88235	7.1
493.05719	6.2
558.48334	5.6
611.46655	30.2
629.81439	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	773.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	30.1
57.03414	13.1
57.07061	7.2
57.36703	6.1
61.02903	11.8
65.39050	5.9
67.05495	100.0
69.03432	10.3
69.07051	24.0
73.02911	6.6
79.05484	51.3
81.07045	90.7
83.08602	9.0
85.02899	15.1
91.05473	66.5
93.07030	72.3
95.04977	12.0
95.08605	73.8
97.02886	10.3
104.41183	6.8
105.07031	66.1
107.08600	49.7
109.10152	21.6
115.16290	7.1
117.07000	23.8
119.08575	42.4
121.10139	30.9
124.55013	8.2
129.07037	17.1
131.08549	34.4
133.10127	46.0
135.11690	21.4
143.08545	20.8
145.10141	30.0
147.11710	34.1
157.10086	8.8
159.11703	25.8
161.13225	19.1
171.11700	8.8
173.13268	11.6
175.14865	12.5
185.13292	10.9
187.14822	12.7
225.14348	9.0
241.19476	12.8
259.20538	38.0
333.24295	24.5
335.25754	27.4
380.39667	10.2
422.24435	8.9
429.74799	8.4
474.32782	8.6
593.45532	11.7
611.46637	37.2
632.04846	10.8
755.50171	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	774.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46628	1.9
56.50608	2.3
56.52356	2.3
81.03397	7.5
81.33886	2.4
91.71027	5.2
102.98895	2.8
117.07069	2.6
120.21034	3.1
129.07011	2.7
135.04414	100.0
137.06003	8.3
173.05994	15.4
177.75266	3.4
185.05977	6.9
187.07652	6.0
203.06976	8.7
247.87688	2.8
264.67322	2.9
295.79382	3.0
559.78619	3.3
573.21118	16.4
709.81281	3.3
756.22186	3.1
756.35596	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	774.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	24.9
55.52255	8.6
57.03426	13.9
67.05493	96.8
67.46034	8.0
69.07061	43.3
69.32433	7.5
79.05491	24.4
81.07054	100.0
83.08600	36.7
91.05466	29.3
93.07040	47.5
95.08603	76.8
97.10176	16.7
103.62424	8.2
105.07026	21.4
107.08575	24.5
109.10153	32.7
119.08566	13.9
121.10138	34.5
123.11689	12.5
133.10173	20.1
135.11682	24.5
149.55721	8.9
172.06358	9.5
208.01956	10.8
217.19527	11.8
319.22601	11.1
325.23654	25.8
369.26349	40.5
619.45941	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	774.5933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21679	14.1
57.07056	35.5
71.08596	29.2
89.06032	100.0
105.13538	13.8
127.37169	14.7
130.08615	38.3
130.74979	13.5
133.08597	70.6
143.65344	15.1
150.34967	15.5
152.27496	15.8
214.58455	15.0
522.38574	16.9
748.22455	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61073	4.9
56.96560	50.2
62.56443	5.2
63.75323	5.5
66.09902	5.6
73.28644	5.5
74.63826	5.5
74.92542	5.4
84.96027	9.8
88.33810	5.8
91.71747	8.2
98.97578	75.8
101.12737	6.1
110.97617	7.1
112.99142	8.9
116.98610	41.4
128.98596	12.1
131.00150	26.5
134.99669	15.3
135.79535	6.6
140.00194	73.8
143.00200	9.8
145.69307	6.2
146.99692	17.6
149.01219	33.7
152.00206	14.1
154.01764	37.9
158.01250	31.5
158.99673	26.7
161.01273	12.7
170.01254	13.5
170.99681	26.1
172.02797	47.3
173.01207	9.5
177.00728	21.1
181.02873	21.1
182.01314	12.6
184.02885	19.3
189.00768	28.4
191.02365	9.6
193.02829	12.3
195.04495	23.1
200.02324	51.5
201.00632	7.9
207.04398	9.8
209.67052	7.0
212.02267	72.5
213.05446	11.1
217.03894	16.0
219.01779	10.7
224.02234	8.7
227.02328	9.7
242.03354	29.1
260.04288	8.8
261.02802	25.8
275.04483	11.9
279.03705	7.9
293.05280	20.7
302.05524	35.2
303.43677	6.5
316.07086	32.4
317.17926	23.0
321.04892	100.0
334.08127	23.6
358.20499	25.0
362.07376	31.9
437.09784	32.5
455.10651	65.2
553.26575	15.3
715.32074	59.1
719.50140	8.4
723.42047	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	775.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46357	4.6
56.96552	45.1
62.60243	4.7
65.46958	6.1
67.74170	5.1
72.26037	4.6
74.22973	4.6
98.97572	58.4
110.97558	15.5
112.99151	13.7
114.21561	5.3
116.98605	28.3
121.29974	5.5
128.98599	11.3
131.00191	22.9
134.99660	15.6
140.00182	45.4
143.00140	9.2
146.99654	14.5
149.01247	26.7
152.00206	16.8
154.01741	27.9
158.01263	23.5
158.99617	38.2
161.01242	9.9
166.01791	16.0
167.02269	8.1
170.01289	11.2
170.99620	36.3
172.02791	42.7
173.01196	9.7
177.00732	21.3
181.02861	21.7
182.01314	7.9
184.02876	13.3
189.00691	26.5
191.02237	8.3
192.61298	6.2
193.02808	10.0
195.04483	17.3
200.02263	44.1
201.00693	7.1
202.96817	6.8
203.02171	11.3
212.02277	51.9
213.00757	6.9
217.03841	9.9
217.67702	6.8
219.01761	11.5
223.03888	15.9
226.03812	13.6
240.05574	9.1
242.03345	16.3
252.18852	5.6
256.05038	7.3
261.02856	17.3
279.03870	14.2
279.13013	6.2
289.66568	6.5
291.38797	5.5
293.05423	28.8
302.05396	44.9
311.06335	7.6
316.06897	27.7
317.17746	19.0
320.06509	5.7
321.04904	100.0
334.08090	20.3
335.18707	7.1
339.06122	6.7
358.15817	5.6
358.20486	25.2
362.07574	43.5
437.09854	27.0
455.10867	48.1
539.25616	9.9
603.50336	7.2
715.31812	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.5
55.05499	1.7
56.53467	1.0
56.96556	9.9
57.03423	1.5
65.34837	1.2
67.05499	1.3
69.03431	7.0
71.04986	4.3
73.02910	5.2
74.51537	1.2
81.03413	9.2
83.04974	15.9
84.96000	3.5
85.02893	16.5
87.04472	2.1
91.05462	2.3
93.07067	1.3
97.02879	2.8
98.97538	7.4
99.00810	1.8
99.04446	3.2
100.10745	1.2
105.07002	1.2
106.06500	1.2
107.04954	2.5
107.08584	2.1
109.02873	8.8
111.04453	7.5
116.13526	1.2
116.98624	3.6
119.04933	4.2
120.08099	60.8
121.02879	2.9
122.09643	6.6
124.11269	1.4
127.03912	3.1
129.05519	1.3
134.09656	11.1
134.99692	1.4
135.10428	100.0
136.11201	2.1
137.02342	2.9
140.00185	5.6
142.46785	1.3
145.06488	1.3
147.04425	8.9
149.10730	19.2
152.00220	2.0
158.01227	1.6
158.99629	1.5
160.10025	1.4
161.01234	1.6
161.10724	20.0
162.11519	2.4
163.12262	2.7
164.07109	1.8
166.01796	3.3
170.01216	1.7
177.10327	1.7
181.02866	4.9
183.01385	1.3
184.02786	2.7
188.10764	2.0
191.11797	4.0
193.02870	2.2
194.01144	1.5
201.00795	1.9
203.11752	2.4
205.09813	5.4
207.04445	2.3
208.02832	1.6
212.02333	1.5
212.08339	6.2
217.09767	3.4
226.03928	2.0
231.11374	1.7
233.09181	2.3
233.12828	3.2
235.10742	2.0
237.02542	1.3
242.03423	3.3
248.11630	3.5
257.09286	1.8
260.04431	1.7
261.08698	9.5
283.05969	1.8
287.10355	3.4
303.05008	12.9
307.12833	10.6
308.13654	16.1
309.14346	2.5
313.08127	3.0
345.05807	2.1
361.13998	6.7
364.12213	1.5
390.17612	1.5
398.17068	3.1
413.08829	1.8
423.05313	1.6
431.09576	1.9
467.87360	1.4
474.12671	2.0
474.62836	2.2
639.22668	5.5
758.29767	5.2
776.31256	28.6
777.30994	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	776.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
59.47633	0.5
79.05474	0.4
80.84975	0.5
81.03408	7.1
81.07023	0.7
91.05477	1.1
91.71072	1.0
94.04178	1.5
95.04929	0.6
96.39086	0.4
103.05463	1.0
109.06441	0.7
112.40790	0.6
115.05462	0.8
117.07038	1.3
122.03644	4.5
126.09595	0.5
129.07022	3.5
130.44263	0.4
131.04918	2.5
134.87253	0.5
136.54446	0.5
137.05972	100.0
138.06351	0.8
143.04883	1.1
145.06496	1.8
151.03886	1.5
151.07518	0.6
157.06519	3.8
160.05162	2.0
161.05925	0.9
163.07477	0.7
174.06734	1.6
175.07533	15.9
177.09094	0.5
185.05968	0.9
187.07520	5.4
189.09088	4.0
201.09164	0.8
205.08603	6.8
217.08598	3.0
219.10229	0.8
232.08833	0.7
235.07484	0.9
235.09499	2.5
237.27832	0.5
239.19151	0.6
248.08440	0.8
261.08923	0.6
263.10559	0.5
273.09116	0.7
275.10794	0.6
277.08575	0.7
290.09299	0.6
291.10229	1.5
293.11893	0.6
305.11807	0.5
323.12830	1.0
339.12244	1.1
341.13791	0.9
353.13745	1.3
391.15189	0.5
433.16165	0.7
507.89273	0.5
513.18976	0.5
527.20618	1.0
539.20532	1.3
550.26361	0.6
557.21826	3.7
575.22662	15.7
654.70563	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31001	10.0
56.37787	9.1
82.26767	11.3
91.71711	26.2
94.04152	11.4
100.56829	12.2
103.05526	11.4
132.28967	12.1
137.05975	100.0
137.35210	11.8
151.04001	14.8
175.68613	12.5
187.07571	20.6
199.07648	16.5
219.10211	16.7
315.55176	14.7
497.19284	24.0
527.21423	19.9
545.22192	21.2
743.70892	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	776.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	9.0
67.05494	69.3
69.07048	13.8
72.83436	4.4
75.92026	4.3
79.05480	14.9
81.07050	69.3
83.08596	11.8
84.29386	5.0
85.06498	4.9
88.11259	5.0
91.05463	14.9
93.07042	26.1
95.04985	6.1
95.08591	67.4
97.10160	8.6
99.43920	5.3
105.07056	8.2
107.08580	11.8
109.10149	24.3
117.03378	16.0
119.08589	8.2
121.10130	32.5
123.11669	8.3
131.08551	10.2
133.10153	14.3
133.35925	4.6
135.11664	14.9
145.02818	25.2
149.13292	6.4
153.20154	5.6
158.06015	5.6
177.05457	100.0
186.05550	19.4
233.18898	6.0
251.20157	9.9
469.40457	28.3
487.41440	7.1
499.49756	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	776.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	68.6
63.81554	14.9
80.45727	15.6
85.63493	16.2
91.05802	32.3
92.67873	18.9
114.07366	79.2
114.09150	100.0
139.28947	23.5
145.61829	19.7
206.38670	18.6
210.58008	19.0
327.07690	73.8
383.13995	38.1
423.19247	22.9
439.20331	36.6
495.26880	34.4
607.38544	54.7
663.46045	36.2
809.06586	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	777.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	59.2
61.15970	16.2
62.99942	13.0
73.91405	13.3
98.97575	67.7
116.98618	36.8
128.98584	20.6
131.00166	19.4
140.00189	45.7
140.60413	15.0
146.99693	21.6
149.01233	44.3
152.00099	25.2
154.01729	34.1
158.99677	28.8
170.01283	23.3
170.99622	34.4
172.02844	51.5
181.02856	33.2
189.00793	28.3
195.04536	30.1
200.02304	41.8
212.02315	64.1
214.03801	20.7
242.03189	24.9
261.02805	27.9
287.48474	17.7
293.05399	27.5
302.05463	51.2
309.81232	17.6
316.06870	22.7
321.04977	100.0
334.08154	39.8
360.22318	20.8
362.07605	48.2
383.75037	20.6
437.09198	25.8
455.10364	40.5
503.96344	20.3
717.33728	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	777.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63730	3.2
58.68746	3.0
61.50254	3.6
62.18679	3.1
65.29143	3.3
66.57914	3.2
67.51946	3.8
85.16479	3.5
87.20615	3.7
114.03616	4.1
174.85443	4.3
265.12225	4.3
283.13260	16.6
306.14896	15.6
309.11591	6.1
332.12848	8.6
381.25406	12.2
407.23499	11.0
425.24442	7.4
462.78214	4.6
491.29013	20.0
517.26935	13.4
603.66699	4.5
633.40009	11.5
643.96283	5.0
713.91595	5.6
717.45813	100.0
718.45892	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	778.343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43624	9.3
56.64855	8.1
59.53495	7.9
60.85897	8.5
63.79765	9.6
68.11204	11.4
73.72558	8.4
75.26006	8.6
77.85004	11.1
82.83694	8.8
131.04880	15.9
137.05960	100.0
142.70430	11.7
183.83690	13.4
187.07651	13.5
189.09140	23.8
219.10228	33.2
355.13135	12.2
405.16925	28.5
435.17810	28.7
453.19043	50.9
524.93384	11.2
540.98798	11.3
559.23273	40.5
575.02820	11.1
577.24365	58.5
616.67950	13.2
619.24921	24.8
689.22437	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	778.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	5.1
63.08784	1.4
68.59014	1.5
69.07046	2.2
70.02948	5.1
70.06584	2.0
71.66058	1.4
74.90643	1.6
83.06082	5.9
84.04493	80.2
86.06057	27.1
86.09695	18.4
87.05587	12.5
89.95061	1.5
91.05463	3.2
101.07134	100.0
102.52515	1.7
106.77084	1.7
114.05517	54.3
120.08097	66.9
127.05051	7.1
129.06577	4.6
131.08160	12.0
148.14058	1.6
155.11794	2.5
172.07130	4.9
183.11243	3.3
186.09149	4.3
200.13965	3.1
205.09779	3.9
214.11882	6.8
228.13565	3.1
230.12894	5.6
231.11270	11.3
240.13350	3.0
242.11327	52.5
248.13902	1.8
259.10681	4.4
269.62604	1.8
285.15564	2.6
319.13950	5.0
361.18692	2.1
364.39340	1.8
389.18256	13.1
404.22974	2.6
432.22409	3.9
446.20218	9.5
447.19498	2.5
461.79901	2.1
520.23669	3.4
529.73254	2.7
542.27454	3.0
560.24756	6.0
673.32794	12.2
687.10461	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	778.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	11.6
55.05499	10.5
56.93810	3.4
57.03442	5.4
65.03922	4.0
67.05495	52.7
69.07061	100.0
77.04501	3.8
79.05486	23.2
80.30075	3.8
81.03400	5.2
81.07052	56.6
83.04965	4.4
83.08595	7.4
89.77921	4.0
91.05473	29.5
93.07037	38.9
95.04965	14.4
95.08573	32.1
97.06530	23.3
102.98567	3.6
105.07020	13.9
107.04954	19.9
107.08586	14.4
109.06515	20.3
109.10159	11.4
110.09717	5.3
117.07000	6.9
121.10141	19.9
121.60319	4.1
131.08542	25.0
133.10098	12.3
135.08044	7.8
135.11684	6.5
145.10136	8.2
149.09613	28.7
151.11212	21.0
159.07994	5.9
171.10141	4.8
180.76312	5.0
183.10109	6.1
191.70256	4.6
247.17061	10.4
259.66779	5.0
299.20435	5.0
305.50348	4.9
321.20453	32.2
335.25757	40.4
581.42035	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	779.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
71.92161	5.7
72.59332	5.2
79.05470	7.9
81.03400	6.5
91.05476	15.1
91.19018	5.1
95.04897	7.4
103.05465	10.7
107.04942	12.3
119.04926	15.9
123.04406	9.3
128.91879	6.5
131.04919	13.2
131.84158	5.4
132.05724	16.5
133.02834	11.2
135.04407	15.6
137.05966	12.9
146.03616	31.1
147.04401	47.1
149.05978	6.4
151.03992	7.7
153.05449	100.0
154.06102	7.4
161.05974	18.7
163.03941	20.5
165.05458	23.4
168.07838	33.1
173.05945	10.4
175.07555	7.8
177.05484	30.3
178.06230	67.6
179.07072	50.2
189.05487	13.8
191.07019	9.7
195.06535	9.3
196.07288	15.8
203.07048	17.6
225.05424	13.7
227.06837	8.2
228.04221	11.7
255.06602	13.1
271.06097	18.6
296.06839	7.8
301.07208	15.3
357.09695	10.2
397.12823	12.0
398.13483	9.0
399.08633	6.7
477.11642	8.0
494.11948	12.5
495.12677	65.2
537.17572	8.5
565.16364	8.3
690.18921	29.9
773.08173	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	779.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04284	8.8
67.05489	25.0
69.07066	7.5
74.09013	7.3
77.13309	7.6
78.07578	7.5
79.05487	12.2
81.07043	9.6
91.05536	9.0
93.07030	17.0
95.08597	25.6
109.06529	8.8
113.26042	7.8
143.80934	9.4
157.75929	8.8
158.11362	10.6
181.02890	9.1
338.25446	10.4
442.88937	10.4
466.20566	9.9
711.34576	11.2
779.49225	100.0
781.50470	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	780.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05280	4.0
55.05497	27.6
56.99278	4.5
57.03424	18.6
57.07050	3.9
57.29558	3.7
59.33954	4.4
67.05495	75.9
69.07057	19.3
71.04989	5.0
79.05482	75.6
81.03423	5.0
81.07046	77.9
83.08595	15.9
91.05468	66.4
93.07033	100.0
95.04956	9.5
95.08591	55.0
97.06525	5.5
100.93037	4.4
102.11871	4.6
105.07018	68.6
107.08586	41.5
109.10146	21.4
113.30396	4.6
117.07008	21.5
118.06527	5.2
119.08572	51.2
121.10149	48.3
128.06322	5.1
129.07028	6.4
131.08553	27.1
133.10127	40.6
135.11688	23.4
143.08517	8.6
145.10109	30.4
147.11658	39.3
149.13261	14.2
157.10130	10.3
159.11707	22.1
161.13245	20.3
171.11691	17.1
173.13200	13.8
175.14777	9.5
177.32370	4.8
185.13229	10.3
213.16345	12.3
231.17482	9.3
241.19566	12.5
259.20441	30.1
295.54285	5.7
307.22672	53.2
333.24234	28.2
510.91513	6.0
533.36981	7.2
583.43451	25.4
629.27435	6.1
779.03455	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	780.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33737	3.5
55.05503	25.9
57.03418	16.1
59.95180	4.0
65.03917	5.7
67.05495	74.8
67.30611	3.6
69.07068	22.0
71.04977	7.1
79.05483	60.1
79.39129	4.0
81.07048	71.9
83.04951	5.8
83.08598	11.0
85.06536	5.6
91.05466	100.0
91.71054	8.1
93.07034	66.7
95.04955	14.1
95.08604	55.8
97.06530	6.9
105.07023	89.3
107.08585	38.4
109.10175	25.5
117.06995	17.8
119.08569	56.1
121.10165	37.5
129.06976	26.5
131.08533	35.8
133.10126	73.9
135.11713	22.1
141.06897	4.5
143.08568	16.5
145.10071	33.2
147.11665	51.0
149.09616	10.0
157.10136	18.7
159.11696	17.2
161.13281	7.8
171.11685	27.8
173.13313	5.5
175.14771	5.6
183.11601	6.1
185.13251	7.3
187.14789	10.3
189.16418	8.8
203.17931	8.2
213.16327	40.0
231.17451	47.0
233.19093	6.6
238.09196	4.5
305.21155	16.9
335.25790	41.8
491.39056	6.2
565.42499	6.3
566.33002	6.0
577.47198	5.2
583.43317	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	780.554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39804	1.7
59.43642	1.9
60.08141	7.8
71.07378	2.7
72.08158	3.1
76.59189	2.4
77.46307	2.0
77.86827	2.0
81.07037	2.8
86.09698	42.3
91.71709	3.4
95.08591	3.2
98.98466	3.5
104.10733	4.8
104.63419	2.0
118.08699	4.1
118.82877	2.2
124.99992	21.6
126.75108	2.7
137.78938	2.2
176.95209	2.2
182.05963	2.3
184.07323	100.0
211.53738	2.3
274.63281	2.7
326.76501	2.9
688.54688	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	781.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	9.6
65.19097	2.3
65.58540	2.6
67.05501	16.7
67.07140	2.2
69.07056	7.3
77.43431	2.4
79.05479	5.7
81.07036	11.7
83.08614	6.6
91.05464	13.1
91.71034	8.0
93.07031	9.5
94.02755	2.7
95.04924	2.7
95.08578	10.6
105.07016	9.3
107.08595	6.8
109.10152	5.2
112.27884	3.0
119.08568	7.5
121.10122	3.1
131.08572	6.0
133.10075	4.1
146.71616	2.8
176.99254	3.2
177.35162	3.4
195.00279	100.0
199.58392	2.8
202.35368	3.3
207.35406	2.6
335.25760	4.5
336.26199	3.9
341.53812	3.0
591.43646	29.1
609.44855	12.7
690.15741	3.6
763.44977	17.9
781.48572	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	781.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	9.6
65.19097	2.3
65.58540	2.6
67.05501	16.7
67.07140	2.2
69.07056	7.3
77.43431	2.4
79.05479	5.7
81.07036	11.7
83.08614	6.6
91.05464	13.1
91.71034	8.0
93.07031	9.5
94.02755	2.7
95.04924	2.7
95.08578	10.6
105.07016	9.3
107.08595	6.8
109.10152	5.2
112.27884	3.0
119.08568	7.5
121.10122	3.1
131.08572	6.0
133.10075	4.1
146.71616	2.8
176.99254	3.2
177.35162	3.4
195.00279	100.0
199.58392	2.8
202.35368	3.3
207.35406	2.6
335.25760	4.5
336.26199	3.9
341.53812	3.0
591.43646	29.1
609.44855	12.7
690.15741	3.6
763.44977	17.9
781.48572	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	781.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
64.82935	5.0
67.05487	12.7
67.31700	4.2
69.07075	7.7
69.32101	5.1
70.19099	4.8
73.90839	4.8
76.94519	4.9
81.07039	12.3
89.80686	4.9
93.37045	5.9
93.52444	5.2
95.08601	6.6
134.47978	5.1
159.34254	5.7
159.58144	6.0
167.90543	5.5
213.95386	5.9
293.20837	7.6
335.21909	10.3
386.89987	7.6
395.23770	8.4
618.19092	7.8
781.50909	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
92.57602	7.3
98.25665	8.4
102.89568	7.6
192.62514	9.4
244.86237	9.4
245.43469	9.9
374.53226	10.0
438.71857	9.2
560.57153	10.3
781.38470	8.8
781.50592	100.0
790.89752	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	782.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	5.7
55.05492	30.7
55.81710	5.7
57.03411	13.6
57.07062	9.6
62.35133	5.5
66.87194	7.2
67.05173	7.9
67.05498	94.4
69.07039	33.8
71.08623	7.4
79.05474	50.8
81.07049	100.0
83.08628	7.7
84.26476	6.2
85.74173	6.6
91.05470	46.7
93.07016	52.7
95.04945	9.0
95.08575	38.4
97.10146	9.2
104.10741	40.3
105.07019	47.4
105.12910	7.3
107.08603	21.6
109.10149	21.8
117.07024	11.7
119.08586	26.1
121.10148	27.9
123.11664	12.3
129.86510	6.6
131.08525	12.7
131.71861	7.3
133.10115	35.3
135.11699	31.4
145.10057	13.9
147.11699	18.5
149.13252	21.7
159.11687	15.9
161.13280	14.2
173.13312	9.6
175.37152	7.6
202.67728	7.3
227.31345	7.9
233.18996	8.0
241.19493	13.4
259.20538	32.9
309.24222	41.6
333.24219	28.7
333.98212	8.9
335.25638	8.9
585.44989	26.4
781.34680	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93379	2.4
74.74445	3.5
91.05446	6.3
91.71114	5.3
94.04198	6.7
94.87933	3.4
95.28648	2.9
97.28926	3.0
122.03648	13.9
128.06161	5.2
131.04921	7.3
137.05959	100.0
148.82538	3.6
151.07527	9.0
152.91513	3.5
175.07503	4.8
187.07539	7.9
189.09084	8.5
201.09167	8.6
203.08733	4.5
231.08194	5.0
261.09055	4.9
291.10077	5.1
322.12344	5.4
475.15424	5.3
539.20374	30.8
599.22778	22.9
663.26544	4.7
670.57623	4.7
723.27661	5.9
783.29529	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59193	5.4
64.24271	5.8
67.11827	6.5
75.20567	6.7
85.96002	6.4
91.05494	7.3
113.65451	9.0
113.87918	6.3
122.03642	19.7
137.05975	100.0
137.06958	9.8
141.52238	7.7
187.07518	10.5
264.61395	8.2
507.18192	14.0
539.20636	50.4
542.84113	10.3
599.22083	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	783.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	2.4
57.03423	3.6
61.02915	6.5
67.05492	9.1
69.03428	6.6
69.07055	10.5
73.02901	7.3
79.05467	4.1
79.49330	2.2
80.62402	3.0
81.07052	13.9
85.02890	6.9
91.05463	5.7
91.71692	5.2
93.07050	5.7
95.08611	5.7
97.02895	6.9
101.02356	4.5
104.10735	7.5
105.54351	2.4
109.10104	3.3
126.55398	2.5
131.08636	4.3
175.93155	2.7
176.66054	2.6
203.57294	2.9
243.08447	4.7
287.16275	7.3
415.37137	3.6
505.24051	11.6
519.29309	8.1
609.03992	3.1
783.46454	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.4
55.05499	2.6
60.68162	2.2
61.02904	5.1
67.05491	10.2
67.90395	1.9
69.03408	5.8
73.02901	5.4
76.87974	2.3
78.54488	2.6
79.05482	6.5
80.64307	2.0
80.66794	1.9
81.03400	2.2
81.07037	7.6
84.15864	2.2
85.02892	6.5
87.39888	2.2
91.03944	4.7
91.05465	4.9
93.07018	5.9
95.08603	5.8
97.02867	5.6
97.06518	3.0
97.28044	2.3
101.02347	2.9
102.94640	2.5
104.10691	2.6
107.08607	2.9
121.10182	3.8
122.28694	2.5
131.04906	2.9
143.52946	2.6
150.54852	2.7
163.30341	2.5
230.97527	2.7
243.08513	3.1
287.15955	2.9
292.51917	2.6
491.25876	4.2
505.24133	4.4
783.46881	100.0
791.18634	3.4
804.42798	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	784.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92165	1.1
56.75584	1.2
57.31049	1.2
70.99593	1.2
86.09696	100.0
105.07033	1.9
112.11256	5.1
120.08099	37.6
154.15892	12.8
157.13333	11.3
185.12828	9.6
188.14366	4.3
199.18047	9.9
225.19612	4.1
227.17534	7.1
233.16431	12.9
236.29791	1.4
253.19080	5.8
259.18329	1.6
261.15942	7.9
267.24438	5.3
295.23914	3.5
298.21210	6.2
301.22687	2.9
329.22159	2.4
332.19769	4.1
362.27084	1.5
374.24365	1.9
411.29282	3.3
442.30475	1.6
445.27893	3.0
513.34198	2.3
526.31512	1.5
530.37250	1.6
558.36157	4.7
643.44952	2.8
671.44891	8.6
739.50043	2.0
756.53253	2.9
784.52118	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	784.5561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	25.9
58.03871	27.2
58.42995	27.3
67.05484	100.0
69.07036	31.1
70.44316	26.6
79.05453	31.8
81.07040	88.9
91.70975	68.4
93.07016	42.4
95.08581	79.4
103.73160	35.3
104.10707	41.9
110.37722	29.7
152.61267	35.4
233.35783	33.4
310.30508	35.9
335.25787	46.3
612.61841	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	785.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00983	3.2
60.48722	3.2
61.00558	3.0
67.52970	3.1
84.90988	3.6
99.30569	4.0
171.80499	4.5
254.39799	4.3
785.45862	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	1.8
57.03413	4.5
59.27470	1.4
60.15888	1.6
61.02911	7.2
67.05504	8.9
69.03415	6.5
69.07038	2.6
71.04993	1.4
73.02912	6.2
73.69554	1.5
79.05479	8.2
81.03401	2.6
81.07046	8.4
85.02883	8.2
91.03967	4.4
91.05478	5.9
91.89278	1.6
93.07044	9.9
95.04940	1.9
95.08607	6.4
97.02885	10.0
98.42505	1.5
99.04459	2.8
101.02367	2.3
102.50970	1.5
105.07019	3.2
107.08590	4.1
109.02953	1.8
109.10129	2.6
119.08582	2.3
121.10169	2.8
131.08559	2.5
133.10144	2.0
243.08435	4.1
265.71008	1.8
301.08829	2.7
337.06125	2.3
457.86230	2.0
491.26083	10.6
601.04669	1.9
602.36292	2.2
689.27576	2.2
757.44995	2.1
785.47986	100.0
786.48535	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
57.03431	3.9
57.39781	1.3
61.02918	8.1
67.05489	9.4
69.03413	5.1
69.07066	2.9
73.02901	4.4
79.05489	6.6
81.03415	3.9
81.07056	7.6
85.02876	9.6
91.03960	4.7
91.05494	8.1
91.71696	3.6
93.07043	7.1
95.08607	6.6
97.02887	7.1
101.02396	3.4
105.07053	5.2
107.08631	3.8
109.10178	2.0
111.19012	1.6
117.07090	2.0
119.08569	3.8
127.03990	1.9
133.10161	4.5
134.83838	1.6
147.11589	2.1
148.49716	1.7
303.68619	2.1
310.09811	1.7
326.83481	1.8
363.80267	2.2
427.92825	1.9
507.25983	6.8
519.29510	5.9
755.17737	2.1
785.48047	100.0
786.48694	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	787.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03095	0.8
69.03418	2.0
71.04961	1.0
72.59795	0.8
77.37291	0.8
81.03417	3.7
85.02905	1.9
89.03913	6.0
91.05492	0.9
97.02885	1.2
99.04493	1.1
109.02866	1.2
111.68359	0.9
117.03374	17.4
135.04395	1.1
137.02379	1.0
137.05965	3.7
145.02846	32.1
145.03946	1.8
145.09111	0.9
147.04401	1.0
149.05992	6.6
158.06061	3.3
175.07535	1.0
177.05464	100.0
178.05745	1.5
186.05499	15.4
189.05495	1.3
195.06577	1.1
242.31474	1.0
259.09885	1.2
269.08173	1.9
279.66754	0.9
287.09164	6.1
303.05093	4.9
320.51202	1.2
321.09735	2.5
339.10654	2.7
345.06158	2.6
413.08795	1.5
424.33197	1.1
431.13666	1.2
449.10596	1.7
450.89822	0.9
571.02051	1.2
787.85529	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.2
67.50748	0.3
69.03419	2.2
70.94207	0.3
71.04969	0.9
75.43817	0.3
81.03412	4.1
83.04980	2.1
85.02898	2.0
91.04917	0.6
91.05473	9.3
95.04983	0.3
97.02888	1.8
99.04439	0.5
107.04960	1.8
109.02869	1.1
110.03844	0.4
111.04443	0.9
119.04931	24.7
123.04430	0.6
127.03899	0.8
133.39279	0.3
141.85312	0.4
146.48077	0.4
147.04399	100.0
148.04712	0.9
151.03848	1.5
153.01834	0.6
161.06009	0.5
165.05487	4.4
165.06841	0.5
167.03395	0.6
169.05055	0.5
177.05540	0.7
186.49707	0.4
203.86946	0.3
257.08038	2.5
277.92383	0.4
291.08551	2.3
309.09656	2.4
318.03586	0.5
326.95700	0.3
333.06030	4.6
345.06058	1.0
357.06332	0.4
366.87613	0.4
375.07095	3.5
399.07077	0.4
443.09830	0.6
461.11209	0.4
479.11996	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	787.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05471	0.8
60.03611	0.7
69.03419	1.9
71.04998	1.0
78.04694	1.0
81.03394	2.8
83.04979	2.2
85.02887	2.4
89.03911	7.5
91.05466	0.9
97.02869	1.3
97.10714	1.0
100.02917	0.9
109.02776	0.9
117.03358	17.0
119.04929	1.6
125.58939	0.9
127.03891	1.2
131.04944	3.3
134.03641	2.0
135.04367	2.0
137.02348	0.9
137.05972	2.9
145.02838	30.9
147.04398	5.7
149.05940	9.0
151.03860	1.3
158.05991	6.4
163.07486	2.0
175.07521	1.2
177.05460	100.0
178.05899	1.6
183.07861	1.1
186.05499	25.2
189.05484	1.7
190.66516	1.0
191.07072	2.5
201.05460	1.2
211.03653	0.9
215.07057	1.3
217.08665	2.0
219.06526	4.7
229.04912	1.1
243.06509	1.6
243.10077	1.0
269.08273	1.4
287.09155	3.3
303.04990	16.0
321.09891	1.2
339.10486	1.7
345.06207	1.7
431.13690	1.8
648.72894	1.0
685.36993	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2289
Annotation	Isorhamnetin 3-(4Rha-galactosylrobinobioside)
Peak:m/z	Relative Intensity
55.05464	0.4
56.96537	0.3
57.03434	3.0
61.02908	0.5
65.18340	0.3
69.03439	2.2
71.04982	14.3
75.04436	0.4
80.92007	0.4
81.03398	1.4
83.04958	1.2
85.02895	20.8
96.40854	0.8
97.02869	2.1
98.06047	0.5
99.04417	0.6
109.02831	0.5
111.04398	0.6
112.07616	0.4
121.02811	0.7
127.03910	0.8
129.05452	3.4
136.40804	0.4
139.03867	1.1
145.04941	0.4
147.06479	0.8
151.03914	1.0
153.01840	3.8
176.24165	0.4
208.52605	0.4
217.92772	0.5
228.04179	0.6
229.04956	1.3
230.74306	0.5
245.04376	0.6
246.05214	1.0
257.04364	1.6
273.03995	1.3
274.04675	3.3
285.03912	3.7
302.04187	11.0
317.06519	100.0
318.06940	2.0
479.11792	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	2.5
59.29111	0.7
69.03426	1.1
70.06591	0.9
71.04986	14.2
75.04488	0.9
81.03393	1.4
82.86345	0.7
85.02896	19.3
91.10542	1.0
91.71671	2.2
93.03409	0.8
97.02885	1.3
110.11462	0.8
115.44304	0.9
117.58359	1.0
120.17690	0.9
125.70457	0.8
127.03905	1.8
129.05469	3.4
134.57014	0.9
135.87820	1.0
139.03897	1.2
150.97530	0.9
153.01822	4.3
216.16861	0.9
229.04834	2.0
257.04382	1.4
274.04843	2.9
285.03891	2.9
302.04117	11.2
317.06534	100.0
385.89496	1.2
405.18848	1.0
479.11795	24.0
577.30713	1.2
619.43396	1.1
782.99524	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92290	2.4
57.07067	36.9
79.05508	3.6
81.07051	12.3
83.04964	3.4
85.06532	17.8
91.05471	10.4
99.34875	2.9
109.06525	11.4
119.04942	7.1
122.03657	5.2
129.06967	3.9
131.04958	4.2
131.08589	5.0
137.05968	97.3
141.12691	3.0
150.22157	3.0
151.07553	12.1
152.19337	2.6
153.05467	3.5
157.06410	3.0
161.05956	3.8
175.07516	5.2
175.11095	4.0
187.07594	11.8
189.09143	9.0
199.07506	3.1
200.29001	2.7
213.09004	4.1
217.08609	7.6
229.08675	5.1
246.95349	3.7
251.85930	3.2
257.80804	3.2
295.42169	2.8
297.15033	8.7
307.99380	2.9
347.12817	6.0
381.20584	100.0
692.97278	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	787.368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	31.1
81.07042	10.4
83.04994	2.2
85.06522	14.8
91.05466	9.0
95.04958	2.4
103.05450	4.5
109.06512	9.9
119.04934	4.4
122.03638	4.7
123.54019	2.3
129.07010	3.7
131.08568	6.1
135.25581	2.4
137.05972	100.0
143.72331	2.3
151.07550	8.2
153.23077	2.6
159.07965	2.5
161.06030	3.8
174.06758	2.5
175.07562	9.6
187.07550	19.8
189.09082	10.1
199.07564	3.4
201.09181	3.7
217.08588	2.9
221.09639	3.8
225.09117	2.3
229.08505	5.1
243.13864	3.2
245.15405	3.4
249.09265	3.1
257.15198	3.0
265.83673	2.6
278.44296	2.4
297.11502	3.0
297.14893	7.9
311.12906	3.2
314.74005	2.5
335.12738	3.0
341.13989	2.6
365.14066	3.0
381.20569	84.0
428.15549	2.4
519.20044	3.8
525.26135	2.8
636.10522	2.8
648.87457	2.6
714.51715	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	787.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	0.5
79.32877	0.5
81.04517	1.0
83.06094	8.0
86.09700	1.4
87.05579	2.0
91.70953	0.9
93.04522	4.1
95.06112	0.6
110.07160	100.0
112.52290	0.5
120.08100	4.6
127.81168	0.6
138.06610	0.7
146.83078	0.5
148.08650	0.7
148.31892	0.5
152.65677	0.5
155.63289	0.5
166.41524	0.5
209.10483	0.6
212.11850	0.9
222.12158	0.5
223.11829	2.1
233.10371	1.1
251.11346	12.7
257.13907	1.7
270.90765	0.6
285.13385	1.4
324.14465	0.6
398.18140	1.5
455.20071	0.9
550.29755	0.6
569.24554	2.2
654.32440	0.7
674.31677	1.0
682.33490	2.4
756.29694	0.7
770.33215	0.9
787.37115	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	787.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08783	4.6
66.55043	5.2
72.08141	28.2
86.09697	100.0
89.10629	7.0
110.68658	6.2
138.06454	6.2
149.87856	6.4
157.13290	9.1
175.09004	10.7
191.30276	6.5
194.39444	6.7
316.16855	11.1
331.22086	8.0
479.90903	7.6
500.29196	13.4
552.21533	7.7
592.68060	8.3
613.37793	13.6
756.26599	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	787.496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	7.5
59.06112	17.8
61.02915	7.1
67.05492	17.9
67.57558	5.8
69.51918	5.5
71.05627	5.5
73.02909	6.7
79.05489	7.5
81.07039	20.4
81.58551	5.7
84.51395	7.0
85.02895	10.7
91.05469	8.1
93.07018	9.4
95.08580	10.6
95.34651	7.1
99.53203	7.3
108.26288	6.6
121.10102	10.9
154.08994	6.5
244.20119	6.7
292.75375	8.8
305.76553	8.5
344.77386	8.8
346.99844	8.1
415.49289	8.4
422.91055	7.5
598.29932	9.1
688.54388	8.7
778.87189	10.7
787.49628	100.0
788.51331	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	787.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06117	25.4
60.72412	7.7
67.05511	8.9
69.03430	8.4
69.61216	7.2
71.04971	9.7
73.02917	7.4
74.70097	9.2
79.05472	13.7
81.07050	23.4
88.00982	7.8
91.71084	13.3
93.07030	14.2
99.02618	8.5
111.93433	10.4
135.11711	10.3
147.04356	9.4
158.01836	9.4
162.19843	9.6
173.56519	10.0
180.96413	9.5
473.83777	10.3
787.49634	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.8
56.42806	1.6
57.03424	2.7
59.40486	1.7
61.02911	7.4
67.05477	11.1
69.03423	5.8
69.07050	4.4
69.39392	1.9
73.02903	5.7
75.69722	1.7
79.05487	6.8
81.03390	2.1
81.07035	10.2
83.08611	2.4
83.27693	1.9
85.02916	10.5
91.03941	6.9
91.05495	8.9
93.07021	4.3
95.04978	2.3
95.08600	10.5
97.02893	11.2
101.02399	4.7
105.07015	5.0
107.08594	3.5
109.10143	2.9
112.20799	2.0
112.21567	2.0
119.08622	3.6
121.10172	3.9
127.03888	2.8
133.10149	5.6
135.11707	2.6
147.04395	3.6
171.80402	2.5
184.07307	2.3
243.08485	4.4
507.25803	9.1
521.31000	6.1
593.33167	3.2
721.24884	3.1
787.49524	100.0
788.50006	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	788.376
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	0.7
58.58145	0.5
61.01138	13.4
70.02930	1.4
70.06581	58.7
71.04968	0.7
72.08150	8.3
76.63738	0.6
83.06100	1.5
84.04487	10.1
85.18933	0.6
87.05567	1.5
101.07132	6.0
107.06771	0.6
111.74734	0.7
112.03896	0.7
116.07076	2.0
118.06870	100.0
123.73595	0.6
125.07095	1.0
127.08654	2.5
129.06595	4.5
130.06525	4.8
132.08095	2.0
138.09142	2.1
144.08096	0.8
151.59198	0.8
155.11797	1.1
157.06091	1.6
159.09157	9.1
163.08983	11.5
169.07542	1.8
170.06018	2.4
171.07607	0.8
182.08250	0.7
182.12895	1.3
183.11317	3.8
194.33896	0.7
196.06058	4.0
200.13956	3.2
202.60306	0.7
213.08459	0.9
214.09734	1.5
215.08435	5.1
223.12225	1.6
226.05145	0.8
228.13548	1.3
230.11356	1.7
243.07930	1.7
246.12715	7.0
274.12131	19.6
284.10364	2.5
286.15442	0.9
301.12927	2.0
309.29596	0.7
362.14774	0.8
373.19009	14.5
400.19913	1.2
515.26880	0.9
531.27100	2.3
559.27051	5.3
656.28284	0.9
673.31085	8.6
687.80927	0.8
788.37280	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	789.2082
Annotation	Myricetin 3-rhamnosyl-(1->3)-glucosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
57.03430	3.0
68.99807	0.5
69.03414	2.6
71.01324	0.8
71.04615	1.2
71.04981	17.3
71.05579	0.7
71.50610	0.5
75.04450	1.0
77.76472	0.5
81.03400	1.4
81.11945	0.6
83.04960	2.1
85.02898	23.7
85.83630	0.7
86.06058	0.6
96.91856	1.1
97.02868	1.8
109.02889	1.6
111.00789	2.0
111.04432	1.6
119.50168	0.6
125.04736	0.6
127.03923	1.2
129.05461	3.7
137.02318	2.7
139.03923	0.8
141.01936	0.7
147.06497	0.9
153.01808	9.2
165.01839	3.7
179.03287	1.0
183.02846	1.2
189.05347	0.8
194.66765	0.6
203.03444	0.7
203.87238	0.7
209.22493	0.6
217.04909	2.0
245.04391	3.3
273.03918	4.5
284.18790	0.6
290.04285	1.4
294.50421	0.6
301.03558	0.8
319.04453	100.0
320.04889	1.5
359.36346	0.7
361.05383	0.8
481.09692	23.4
527.05994	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	10.2
65.35866	7.1
69.07063	7.3
74.58088	6.7
82.03837	6.2
88.04871	7.2
91.05480	16.8
101.96752	7.3
131.08514	12.3
137.05962	100.0
157.31337	8.1
158.62036	9.2
187.07578	30.3
187.42104	7.1
195.07854	7.7
209.01883	8.6
227.78795	8.2
365.21106	25.5
771.26514	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	789.383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	13.7
60.49466	4.4
75.74660	4.8
79.00401	4.8
81.07051	5.6
85.06532	8.8
93.07053	10.2
95.04945	5.7
106.54173	5.4
107.04942	8.2
120.29351	5.1
122.03638	7.7
131.04916	6.0
137.05969	100.0
140.12485	5.6
209.25842	6.1
216.34346	6.1
365.21072	21.1
413.23135	8.7
439.55722	7.3
546.49054	8.6
578.02368	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	789.5127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83922	16.5
57.14559	13.3
57.62156	15.7
70.47869	14.9
79.59753	15.8
85.51785	14.2
85.64757	15.9
88.66198	15.8
93.07049	17.0
103.28380	15.8
265.55759	17.6
267.51419	19.0
272.77310	18.7
448.09045	22.6
789.50397	100.0
805.02484	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39264	2.8
57.07063	10.3
64.01909	2.9
69.03415	3.2
79.05476	4.9
83.04963	3.1
85.06527	5.4
87.98478	2.8
91.05467	12.8
93.07010	7.8
95.04992	5.2
103.05429	4.0
105.07011	5.5
107.04945	72.9
115.05469	8.4
117.06947	5.7
119.04941	5.4
121.06508	6.0
122.03670	4.8
124.66362	3.6
128.06223	21.2
129.06973	10.6
131.08542	22.8
133.06487	8.4
135.04405	9.6
137.05983	98.7
138.06299	12.2
141.06969	9.6
143.08580	15.7
144.05696	10.8
144.53442	3.5
145.06474	13.7
151.07649	5.8
153.06972	14.4
157.06519	4.8
159.08044	100.0
159.81680	3.1
161.09575	17.0
163.07445	3.8
169.07628	6.1
171.08026	53.4
174.06799	3.6
181.07724	4.5
181.71992	3.3
187.07510	3.7
189.09087	90.6
201.09183	4.3
219.10159	10.0
233.09442	4.0
235.07582	4.7
248.08382	3.9
261.08936	4.4
269.09607	5.5
273.09106	5.5
277.08270	5.5
285.09119	9.1
286.09717	4.1
287.10568	4.4
289.11920	5.4
291.10028	5.4
299.10675	3.6
309.11169	8.4
317.11731	7.1
323.12860	5.2
329.11707	4.2
333.11176	11.7
341.13763	19.8
347.12784	10.2
365.21057	4.9
366.21445	6.1
379.15298	53.8
435.18045	6.3
529.22314	14.6
589.24268	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	791.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12394	1.4
57.85157	1.4
63.19630	1.3
66.79775	1.4
68.99763	1.7
91.05476	14.0
91.13849	1.9
91.71720	3.6
95.04948	1.7
103.05466	2.9
115.78717	2.0
119.04930	20.5
122.03644	3.3
123.04414	5.4
126.14690	1.7
127.03894	11.9
131.04921	5.6
136.05240	1.7
137.05962	100.0
137.27713	1.9
139.03897	13.4
141.54175	1.8
149.92874	2.1
151.03940	10.3
151.07506	34.3
153.05449	3.6
163.03900	2.3
165.05450	14.9
175.03938	5.2
176.23174	2.2
177.05463	1.9
179.03384	12.2
179.27048	1.8
181.06897	4.0
181.08569	63.8
189.05283	2.1
203.03401	5.3
234.76129	1.8
257.04419	2.0
262.22714	1.8
287.05502	4.3
305.06763	2.5
307.08185	3.1
317.06534	2.8
323.01108	2.3
325.07050	5.1
343.08124	8.4
390.45676	2.0
425.08676	2.4
443.09906	3.7
682.50208	2.3
777.76056	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	791.5275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23019	8.3
62.88961	9.4
66.75287	9.6
85.02914	10.0
88.10677	8.9
88.85775	8.8
104.40945	10.9
129.71387	11.0
145.89871	12.0
213.69980	11.9
245.48543	11.9
298.02036	10.4
334.78189	11.3
438.80817	13.0
535.28778	14.1
580.53674	11.7
791.52686	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.5275
Annotation	Unknow
Peak:m/z	Relative Intensity
66.41168	8.0
74.10484	7.9
80.49377	7.3
83.08586	8.6
85.02888	11.9
91.71112	12.0
95.08643	8.7
97.02867	12.6
134.58673	9.1
338.45566	11.9
467.68484	9.7
497.30545	17.7
498.86130	11.0
516.10162	12.8
600.22076	10.7
688.37268	14.5
752.84460	11.0
791.52911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91042	1.7
61.26860	1.7
61.78525	2.1
70.06596	3.2
71.04974	3.2
72.08150	1.7
83.90858	1.7
85.02901	3.3
86.09704	3.0
91.05466	2.1
94.06556	3.2
96.08145	10.1
107.07330	6.8
108.08108	76.8
109.06492	2.0
110.09678	5.8
120.08077	12.9
121.08881	8.0
122.09657	100.0
123.09177	4.2
124.07569	7.3
126.42031	1.8
129.75168	1.8
132.08064	6.3
133.07631	2.1
134.09720	2.3
135.09186	10.4
136.07545	6.7
136.09866	3.3
137.08351	2.3
138.09135	17.4
145.07607	2.2
146.08336	4.3
147.09126	4.3
149.10736	4.1
150.09135	72.3
151.08655	8.1
151.09901	12.6
152.10707	3.7
159.09210	8.2
160.07487	2.6
161.10670	2.1
163.08627	2.5
164.07069	3.1
165.10181	9.4
174.09106	2.7
175.08746	2.1
177.06708	2.1
177.10219	36.4
179.11731	3.6
189.06552	2.6
189.10207	3.9
191.08113	3.0
194.11826	2.7
196.65056	2.1
201.10214	3.8
203.08171	4.7
205.09671	3.6
207.07703	3.1
207.11288	5.2
217.09790	4.5
219.11237	6.5
221.06985	2.2
221.09149	10.0
229.09851	2.6
233.09178	4.4
235.07074	2.6
235.10812	6.0
243.11378	2.5
245.09242	3.7
247.10687	3.5
249.08629	3.4
249.12326	4.5
257.09082	4.0
261.08755	17.5
263.10236	6.2
264.11035	3.5
267.04437	2.2
281.11307	10.0
287.10312	5.9
295.06741	2.4
303.09708	3.2
307.12933	4.0
309.10818	8.3
313.08371	2.7
323.12366	23.6
324.12918	10.2
325.13937	4.7
377.13345	12.7
398.17001	8.8
401.15134	2.0
629.24487	3.2
655.22150	8.8
756.28717	2.5
774.29730	12.1
792.30780	49.3
793.20886	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	792.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76738	2.5
61.55433	2.4
63.01595	2.5
70.06583	3.2
70.18144	2.6
96.08122	8.0
107.07368	5.0
108.08114	75.9
110.09705	5.7
120.08099	11.9
121.08907	5.7
122.09663	100.0
122.69660	3.3
123.09168	3.7
124.07579	5.1
133.07571	6.0
135.09164	10.7
136.07623	5.7
136.10001	4.1
138.09129	13.7
138.38445	3.3
146.08464	5.3
147.09085	3.4
150.09142	72.5
151.08745	5.1
151.09923	14.1
152.10646	3.1
161.07095	5.2
163.08662	4.9
165.10243	11.5
177.10240	29.3
189.06583	3.5
203.08073	3.8
207.07690	3.2
219.11327	5.9
221.09299	5.8
235.07175	4.2
235.10872	5.2
243.44287	3.4
249.12372	6.9
257.09250	3.9
261.08643	18.2
263.10312	4.1
264.11124	8.1
281.11356	10.4
287.10309	4.7
303.09732	3.8
305.11194	3.9
307.12943	5.5
309.10904	11.2
323.12332	20.0
324.13083	9.1
368.20132	3.7
377.13748	6.2
398.16928	6.6
655.21570	7.3
774.29706	15.7
792.30798	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	792.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
61.04419	3.9
70.06594	7.9
80.05008	4.0
82.41250	4.5
86.09711	4.6
89.78024	4.0
91.05484	4.0
92.99751	4.5
96.08111	9.6
100.85653	4.9
101.66140	3.7
107.07298	5.0
108.08119	78.3
110.09661	6.0
110.20373	4.1
120.08112	16.1
121.08895	9.6
122.09669	100.0
124.07661	6.4
124.69482	3.9
132.08084	5.4
135.09221	12.2
136.07565	10.5
138.09148	17.5
145.07628	6.5
146.08432	7.6
148.74434	4.2
150.07970	3.4
150.09142	73.8
151.08693	8.5
151.09880	10.7
152.10762	6.3
159.09216	9.0
164.07033	9.4
165.10292	11.0
177.10234	45.2
185.63904	4.7
191.07971	5.8
207.11273	8.8
219.11346	12.4
221.09241	18.1
222.90216	4.5
245.09317	5.2
249.08739	4.8
249.12579	7.2
261.08691	5.0
263.10287	7.1
281.11353	8.8
305.11337	5.6
307.12854	6.1
309.10770	11.2
323.12463	40.7
324.13150	17.8
325.14102	6.7
377.13608	10.5
398.17157	6.4
470.18661	5.8
655.22137	16.6
774.29156	7.8
792.30878	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04973	2.8
81.03415	2.3
91.05472	3.3
99.04449	4.7
103.05463	43.3
112.15838	2.0
115.05504	2.2
129.06969	3.2
131.04924	100.0
137.05975	42.3
159.08015	3.0
163.07533	34.2
174.06709	3.2
175.07570	5.5
187.07545	9.3
189.09138	9.1
200.66608	2.3
201.09076	5.2
219.10144	17.9
223.71291	2.6
251.09119	2.7
260.75934	2.3
573.20099	3.3
591.22034	7.2
592.59723	2.7
679.42566	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	792.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
55.52060	0.5
65.03909	0.6
68.79082	0.5
71.28625	0.5
81.03410	6.1
83.04961	0.7
84.08953	0.6
91.05441	1.3
94.04160	2.1
103.05470	3.6
105.07004	0.5
107.04933	0.7
109.06507	1.1
115.05420	1.6
117.06999	1.7
122.03640	5.3
128.06215	1.2
129.07002	4.4
131.04906	6.7
131.08546	0.5
135.04422	0.6
137.05971	100.0
137.86356	0.5
143.04955	0.9
144.05667	0.8
145.06491	1.8
151.03894	3.8
151.07515	1.4
157.06511	3.5
158.07260	0.7
160.05162	2.5
161.05937	0.9
163.07523	1.8
172.05098	1.2
173.05899	0.6
174.06743	3.5
175.07533	15.0
184.40277	0.5
184.68816	0.5
187.07526	20.2
187.09192	1.0
188.08150	0.6
189.09096	7.7
199.07547	0.8
201.09155	1.4
205.08580	6.0
217.08589	7.3
235.09637	2.0
260.01398	0.5
277.08664	0.9
303.65652	0.6
307.09747	0.7
309.11063	0.8
321.11209	1.3
333.11142	0.7
367.10187	0.5
392.12518	0.7
413.13889	0.8
425.14023	0.8
443.14713	1.4
445.16492	2.1
452.24606	0.5
455.14209	0.6
457.16342	0.8
495.17856	0.8
507.18234	0.7
537.18127	0.6
543.19867	0.9
555.20233	0.8
573.04767	0.6
631.23584	0.8
649.23944	1.3
661.23767	1.0
679.25336	3.9
697.27020	0.9
739.28033	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	13.9
57.03424	6.9
67.05132	3.7
67.05491	55.5
69.07059	12.9
69.17035	3.1
69.78929	3.4
74.52032	2.8
79.05473	16.2
81.07050	53.1
83.08604	15.3
91.05473	27.1
93.07032	33.1
95.04938	4.1
95.08597	53.6
97.06532	7.1
97.10177	4.7
105.07027	7.8
107.08591	21.1
109.10142	21.8
111.08075	4.5
119.04954	20.9
119.08587	7.2
121.10161	15.2
123.11723	7.6
131.08548	4.8
133.10110	10.6
135.11696	12.9
145.10153	7.9
147.04405	100.0
147.11702	6.1
151.11147	3.9
156.84114	3.5
175.80873	3.6
202.31529	3.3
215.17920	3.9
251.20129	5.7
307.22668	8.1
325.23660	46.2
328.10434	3.6
368.72546	4.3
372.34012	3.8
377.56729	3.5
381.91107	3.7
471.27432	6.4
488.73315	4.1
557.41888	8.2
575.43011	50.1
593.43402	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	792.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	28.5
56.97437	11.4
67.05490	69.8
67.05794	11.9
79.05477	44.8
81.07053	100.0
91.05503	30.1
91.71040	15.3
93.07026	55.0
95.08608	37.4
105.07043	29.8
107.08585	32.4
109.10165	30.2
117.06976	22.4
119.08598	25.2
121.10147	26.6
126.07436	14.6
131.08618	21.9
133.10121	15.2
135.11697	50.2
145.06519	17.6
145.10117	24.5
159.11668	17.1
178.94052	14.0
187.45032	16.2
261.22180	58.1
343.70517	18.2
596.84918	17.6
747.73596	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	18.6
55.28682	9.6
57.07071	10.4
59.73877	11.1
61.37005	11.0
61.92297	10.5
64.12128	10.7
67.05491	100.0
69.07075	21.7
70.23088	12.3
79.05502	33.3
81.07050	60.1
91.05494	26.8
93.07063	42.0
95.08604	62.5
105.07043	29.1
108.98448	11.7
109.10159	17.1
119.08597	27.5
121.10157	26.5
125.78642	14.4
126.20518	14.4
131.08598	22.5
134.77014	15.4
135.11717	18.5
159.11755	17.2
200.25575	13.5
243.21162	20.7
261.22223	27.8
335.25751	77.2
337.27148	14.8
390.14783	18.7
498.26492	19.2
553.76770	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	792.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	21.6
55.05708	3.4
55.55029	3.2
57.03426	15.1
58.78225	3.3
60.33596	3.5
61.02919	4.2
62.70681	3.8
64.89135	3.4
66.59175	4.2
67.05171	7.7
67.05499	96.7
69.07065	30.4
70.99380	3.6
78.43582	4.4
79.05487	54.6
81.07051	100.0
83.08613	11.0
91.05479	30.1
93.07038	66.6
95.04966	10.7
95.08606	73.3
97.10199	5.2
105.07032	22.0
107.08589	29.1
108.35702	3.8
109.10158	34.1
111.08105	4.1
117.07079	10.5
119.08613	17.7
120.98107	4.0
121.10135	25.9
123.11703	9.3
127.79567	4.5
131.08592	17.0
133.10172	14.2
135.11665	21.4
145.10146	12.1
147.11711	20.0
149.13281	12.6
159.11711	10.9
161.13226	9.4
173.13306	8.9
197.28255	4.7
243.21112	6.5
259.20526	8.5
261.22202	16.2
288.50385	4.9
335.25827	99.0
337.27142	6.5
426.65555	4.9
595.47095	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	792.5619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.58289	78.2
67.05510	85.9
75.74285	76.7
83.53295	72.1
84.61738	82.4
88.57143	78.2
107.26340	83.9
114.59711	80.9
202.88983	100.0
255.27867	82.3
278.50699	86.5
279.76859	81.4
284.40176	84.5
303.10895	99.5
396.76907	94.7
441.13202	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	3.9
57.07067	2.1
69.03422	2.6
69.07057	5.9
69.59789	1.8
74.34755	2.3
80.04987	2.1
80.66933	1.9
81.03384	3.2
81.07030	3.4
83.08613	2.6
84.04492	100.0
84.42135	2.0
91.71078	4.6
95.08627	2.7
96.04480	24.1
97.02882	3.4
97.10162	2.5
98.06076	2.9
99.04453	3.4
109.02885	3.6
124.65267	2.0
126.05495	16.2
126.64841	2.0
132.11934	2.2
133.22838	2.0
144.06548	45.2
268.80557	2.2
292.22815	6.8
304.22705	3.1
310.23590	14.9
322.23767	8.2
352.25018	3.0
370.25726	8.1
388.26880	48.8
576.09070	2.6
747.50806	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	794.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88733	12.7
91.05406	12.9
103.05463	39.3
129.06949	17.9
131.04903	100.0
137.05978	93.8
151.46985	18.6
153.40976	13.7
163.07491	24.2
175.42827	14.5
199.47777	14.4
232.03870	17.6
360.76578	16.5
488.26028	21.6
513.27509	17.2
527.20477	25.4
539.20380	36.1
557.21741	27.6
712.94110	18.4
747.42096	18.6
787.14600	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	794.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
75.61848	16.0
88.35323	18.0
91.57650	22.9
100.63079	18.7
118.20902	18.4
129.06985	17.9
131.04924	28.7
137.06013	100.0
175.07530	33.7
187.07530	40.1
240.54715	17.9
361.23517	22.9
527.21399	25.2
781.13135	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	16.8
66.92538	9.5
67.05492	80.5
69.07059	99.8
69.22213	7.9
69.62691	9.2
79.05486	69.3
81.03411	12.0
81.07045	86.1
91.05464	73.9
93.07040	70.8
95.04924	15.7
95.08602	44.7
97.06540	19.6
103.95129	10.3
105.07038	26.9
107.04923	19.6
107.08645	16.5
109.10164	22.1
115.04552	10.3
117.07015	18.0
119.08588	48.5
121.10135	100.0
129.07022	11.5
131.08578	28.4
133.10107	29.3
147.08069	15.4
149.09688	22.2
165.09222	15.7
173.13231	13.2
199.14864	16.6
200.52881	10.8
217.15828	25.0
227.14429	12.1
245.15396	28.4
335.25757	56.3
337.19934	31.8
597.41138	34.6
686.71283	13.2
773.37146	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	794.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77779	5.8
57.03417	12.7
57.07040	4.9
60.56481	5.1
67.05497	100.0
69.03419	13.5
69.07060	90.7
71.71368	5.7
77.03952	6.6
79.05493	83.6
81.07048	85.3
83.08627	7.3
90.42924	5.8
91.05467	89.7
93.07033	92.3
95.04948	19.8
95.08599	64.0
97.02891	18.7
97.06516	19.7
105.07026	31.1
107.04953	16.1
107.08582	53.3
109.06514	11.0
109.10143	25.2
117.07014	18.0
119.08589	81.7
121.06536	7.1
121.10159	71.6
123.08089	9.7
129.07007	11.4
131.08554	52.8
133.10127	25.7
135.11699	17.0
142.07654	7.6
143.07068	11.5
143.08582	18.2
145.10132	15.1
147.08072	22.4
147.11691	10.6
149.09641	27.4
151.07550	6.6
157.10098	14.7
159.11656	10.5
161.13271	9.0
171.11732	8.5
184.07368	8.4
189.16260	9.7
199.14880	21.0
205.99844	6.5
217.15918	19.5
227.14331	10.0
245.15359	19.5
261.22165	8.9
263.16489	11.9
295.74863	7.4
335.25766	63.4
337.20062	52.4
402.47223	7.4
517.29016	9.1
597.41199	53.4
699.44672	7.5
710.41980	7.0
755.21973	8.1
756.44171	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	794.504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	12.6
67.05499	93.6
69.07063	92.7
70.87244	7.1
73.74001	7.0
79.05482	76.9
81.03442	10.0
81.07047	100.0
83.04997	8.3
83.08667	9.0
83.98481	8.7
91.05482	69.9
93.07035	93.4
95.04977	14.8
95.08596	67.0
97.06527	16.4
101.62143	8.2
105.07036	37.6
107.04945	10.5
107.08596	28.5
109.10159	23.0
117.07034	15.7
119.08560	63.2
121.06690	7.5
121.10133	88.2
123.11727	10.2
129.07016	12.5
131.08539	40.4
133.10103	23.5
135.08084	7.8
135.11743	10.8
143.06964	10.2
143.08589	16.6
145.10085	10.1
147.08006	18.1
147.11705	12.0
149.09651	14.7
157.10161	22.1
161.09563	9.6
165.09059	14.0
199.14851	16.3
209.50438	8.9
217.15892	11.5
245.15390	25.9
252.32224	8.6
335.25912	64.4
337.20148	43.5
392.46216	8.6
495.07034	9.3
597.41180	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	794.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42438	2.5
57.03418	15.4
57.99873	3.0
67.05496	89.1
69.03413	10.7
69.07059	45.5
71.04974	4.4
77.47727	2.9
77.82911	3.2
79.05483	64.7
81.03410	10.9
81.07047	69.1
83.04973	5.1
83.08609	15.1
85.02914	5.9
91.05476	40.2
93.07035	70.0
95.04952	20.4
95.08591	39.0
97.02898	13.9
97.06548	4.0
97.10176	17.8
105.07030	31.0
107.04947	9.7
107.08579	29.4
108.89857	3.3
109.06554	5.1
109.10136	18.1
116.99996	3.4
117.07018	11.8
119.08555	23.8
121.10113	31.6
123.08095	6.1
123.11662	5.6
125.09647	8.6
129.06985	5.3
131.04903	5.0
131.08565	16.3
133.10144	16.9
135.08110	8.9
135.11693	11.4
143.08516	3.8
145.10139	12.0
147.08116	4.1
147.11673	5.9
149.09615	5.0
149.13261	7.9
159.11626	7.1
185.21184	4.0
215.17990	12.1
223.13264	22.3
227.12749	4.7
233.18958	7.2
255.35025	4.9
273.18417	9.4
291.19507	100.0
307.22607	85.0
365.23187	39.3
545.73688	4.5
579.41168	5.0
597.41455	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	794.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35812	7.5
57.03442	18.2
57.07058	35.4
59.33245	7.4
66.41816	8.7
67.05499	63.3
69.07056	68.0
69.71305	8.7
71.08604	14.6
73.90242	6.9
74.09159	8.3
79.05487	20.9
81.07045	92.6
83.04946	9.8
83.08606	55.6
84.04505	9.2
85.06553	9.2
85.10213	10.2
86.61432	7.5
87.04461	9.8
90.89484	8.5
91.05476	10.7
91.71065	13.7
93.07045	49.8
95.08595	70.5
97.06519	27.7
97.10168	31.9
99.06198	9.1
107.08607	37.6
109.10157	49.5
121.10133	45.8
123.11697	21.0
125.09673	15.3
133.10072	12.6
135.11685	35.8
139.11203	12.3
149.13281	17.7
153.12747	10.5
161.30690	8.6
172.06339	9.2
186.55760	9.3
205.19518	12.8
213.65230	11.2
249.57031	10.8
287.22241	39.4
325.23645	93.8
339.94580	10.8
343.24966	26.3
361.81088	12.1
399.27243	25.0
417.28354	100.0
667.47437	19.6
759.52258	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	794.5768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	17.9
57.07063	19.6
67.05489	95.6
69.07071	18.3
79.05498	32.8
81.07048	72.9
83.08632	15.0
85.02943	11.9
87.04514	13.3
91.05481	34.4
93.07049	40.4
95.08594	78.9
105.07079	21.1
107.08628	28.0
109.10175	29.0
121.10187	23.4
125.87188	13.4
133.10146	14.4
135.11751	18.4
164.57570	12.5
220.48549	14.0
335.25812	100.0
461.54269	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	794.5771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	22.4
57.07057	8.5
57.90898	5.7
67.05492	99.9
69.07064	36.9
69.90285	5.9
79.05481	19.1
81.07042	100.0
83.08606	18.8
91.05470	22.2
93.07050	37.1
95.04958	7.1
95.08606	83.8
95.67391	5.7
99.33728	6.1
101.78104	7.1
105.07022	22.4
107.08608	36.7
109.10147	27.5
117.62297	6.6
119.08562	14.3
121.10125	24.0
123.11723	16.2
131.08600	8.1
133.10149	16.5
135.11694	8.1
145.10162	9.3
187.79639	7.0
307.89288	7.4
335.25739	54.5
337.27197	44.2
597.48651	17.7
615.49390	19.4
815.09546	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	795.5226
Annotation	Unknow
Peak:m/z	Relative Intensity
64.79218	10.3
66.37396	10.8
66.84991	9.4
93.17532	10.5
129.06853	10.9
129.54143	9.8
136.31133	11.4
140.24091	13.2
158.62944	12.2
197.13939	13.6
224.48300	10.1
472.50589	12.2
694.47418	13.9
722.97626	13.3
741.67749	12.6
795.51953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	100.0
71.05010	4.4
75.91499	4.8
81.19358	5.1
89.06026	7.6
90.10133	3.9
91.05757	5.5
95.18197	6.0
102.12164	4.9
103.07576	57.4
112.06371	4.3
114.07382	13.9
126.35701	4.8
133.08566	5.4
147.10124	16.1
159.10246	4.9
218.48703	4.8
222.35663	5.4
239.09561	18.4
280.18607	4.9
289.43219	5.3
301.54080	5.0
328.36383	6.2
704.97546	6.0
815.91266	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	796.52
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	15.3
57.07061	4.8
67.05493	82.2
69.07063	41.5
69.22160	4.8
71.04983	5.8
71.07432	4.6
79.05486	70.9
81.07045	79.0
83.08599	25.6
85.02920	6.8
91.05476	100.0
93.07043	80.4
95.04938	12.3
95.08603	61.4
97.06518	8.0
105.07021	92.2
107.08595	41.5
109.10162	22.2
117.07021	43.3
119.08570	64.9
121.10168	27.8
123.08087	6.4
123.11724	5.8
128.06236	8.9
129.05473	5.1
129.06981	29.5
131.08563	55.1
133.10133	59.3
135.11623	16.4
141.06993	12.1
142.07782	9.7
143.08553	29.0
145.10168	50.0
147.11650	31.3
149.13264	5.5
155.08528	24.3
157.10085	27.3
159.11708	24.9
160.75461	5.6
161.13252	6.2
167.08521	10.1
169.10146	18.7
171.11667	31.0
173.13281	15.2
181.10162	9.8
183.11728	16.9
185.13260	15.4
189.16385	7.5
195.11670	10.0
197.13300	11.3
199.14813	12.0
207.11688	7.5
209.13431	11.4
211.14833	16.6
213.16498	11.2
223.14713	8.1
229.15933	11.8
237.16212	8.7
239.73148	6.9
289.67740	6.7
406.29742	7.0
471.35870	6.6
489.37363	10.7
511.33072	7.0
532.60034	6.9
543.06494	6.4
581.42010	94.7
656.56262	7.7
786.95282	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	796.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	13.5
65.03936	8.0
67.05499	100.0
69.03411	9.6
69.07063	22.7
74.87830	8.3
79.05492	81.0
81.07049	74.6
83.08603	26.8
91.05484	44.5
91.71003	13.5
93.07027	80.0
95.08598	44.0
97.10164	54.9
105.07021	50.1
107.08585	72.4
109.10169	24.7
117.07015	18.7
119.08619	26.1
121.10130	45.9
123.11723	9.1
125.09626	38.7
131.08606	20.1
133.10168	21.0
135.11682	14.1
143.71466	11.1
145.10094	25.7
147.11668	24.6
157.10152	9.8
187.14848	9.8
189.11223	14.5
215.17952	14.0
227.12796	35.7
233.19034	14.4
234.96384	11.8
264.84433	9.2
275.20093	36.1
307.22641	60.9
349.23718	34.7
383.60815	11.7
386.86847	11.5
450.33789	10.2
477.31577	15.4
581.41833	67.2
600.20715	10.3
824.06195	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	17.1
60.07033	3.9
64.03970	4.7
67.05492	81.6
69.07079	19.5
76.36279	4.7
79.05484	66.7
79.05909	5.8
81.03438	8.6
81.07053	74.7
83.04996	13.4
83.08615	25.0
85.06567	5.3
87.64968	3.6
91.05474	51.2
93.07028	79.2
95.04958	48.1
95.08589	53.0
97.06538	8.0
97.10231	8.0
97.41388	5.0
97.95448	4.4
97.96086	4.6
99.04452	6.0
105.07012	32.1
107.04997	9.5
107.08585	37.8
109.06531	10.5
109.10174	17.9
111.04483	6.7
117.07047	17.3
119.08560	28.4
121.06524	5.7
121.10118	40.6
124.10934	5.0
125.09610	7.6
131.08609	14.8
133.10176	18.8
135.11699	22.4
137.09608	7.2
143.08611	5.4
145.10139	25.7
147.11674	10.2
149.09714	16.0
149.13297	6.8
159.11765	14.1
161.13336	4.4
163.11203	14.1
173.13351	6.0
183.11783	5.1
223.13420	18.1
224.75162	4.9
233.19019	7.3
247.88680	4.9
247.97519	5.0
275.20096	29.9
293.21307	16.3
307.22595	100.0
349.23926	12.5
365.75769	5.6
367.24875	20.5
487.33768	6.0
581.42114	9.4
599.43170	41.3
791.35010	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	796.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	16.6
67.05499	89.3
69.03397	8.4
69.07047	30.9
70.63987	4.9
79.05477	60.1
81.03366	8.7
81.07046	98.0
82.15214	5.1
82.95680	5.3
83.04958	14.9
83.08580	14.4
83.53009	5.5
85.02904	8.5
88.01768	5.1
91.05471	64.5
92.97369	5.5
93.07037	100.0
95.04955	21.4
95.08612	50.0
97.02927	6.3
97.06503	16.5
105.07016	38.7
107.08568	39.1
109.10143	21.4
117.07027	16.3
119.08559	21.0
121.10109	32.2
123.11715	6.3
125.09624	5.8
129.07045	6.7
131.08548	23.4
133.10118	18.5
135.11687	22.5
138.02802	7.1
143.08470	6.3
145.10132	10.0
147.11624	12.6
149.09599	7.9
149.13255	9.9
159.11746	14.1
179.56190	6.0
187.71614	6.6
215.17926	7.0
233.19072	8.7
255.15959	7.1
269.17459	17.7
275.20093	14.6
284.59357	6.9
307.22656	67.2
349.23654	8.2
487.33936	10.9
501.35510	35.0
581.41748	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	796.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	17.5
57.07086	5.1
67.05491	97.8
69.03425	10.6
69.07068	25.8
71.05003	7.4
71.48357	4.9
79.05476	82.9
79.05859	7.2
81.03400	8.8
81.07044	99.5
83.04994	9.4
83.08638	12.0
85.02904	9.5
85.06583	7.2
90.72538	5.7
91.05468	57.9
93.07036	100.0
93.85923	5.7
95.04984	17.0
95.08594	58.0
95.09058	5.2
97.06548	11.6
103.77131	6.2
105.07020	34.8
107.08588	32.3
109.10161	9.9
112.68658	5.0
117.07075	18.2
119.08599	17.9
121.10154	38.0
123.08083	6.6
123.11713	5.8
131.08606	20.7
133.10185	26.9
135.11754	25.8
145.10152	17.2
147.11693	10.3
149.09648	9.9
149.13303	19.4
159.11737	16.7
215.17986	10.6
221.87701	5.9
222.33649	7.0
233.19176	13.6
253.47382	6.2
255.15816	8.1
269.17474	30.4
275.20245	11.9
307.10440	6.7
307.22644	79.5
349.23950	9.2
359.03055	7.3
501.35626	57.0
578.80792	8.7
581.41833	12.9
733.04663	6.9
752.47491	7.4
765.06213	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	796.52
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03202	3.7
57.03431	41.4
57.07058	3.3
59.23844	2.8
61.02888	4.1
67.05495	86.8
69.03417	11.4
69.07059	36.6
70.44579	3.2
71.04984	6.1
71.42468	3.0
74.31553	4.1
76.86192	2.9
79.05486	70.5
81.03396	13.9
81.07048	100.0
83.04975	11.9
83.08603	16.7
85.02883	7.7
85.06552	3.6
87.20457	3.4
90.83209	4.1
91.04925	4.4
91.05471	64.1
92.29787	3.3
93.07035	93.6
95.04968	16.6
95.08596	74.7
97.02873	5.3
97.06535	9.7
98.82537	3.4
105.07012	37.6
107.04948	11.3
107.08588	38.9
109.06512	5.9
109.10175	22.9
111.08135	4.9
117.06979	19.6
119.08578	29.8
121.10141	53.0
123.08104	7.9
123.11702	7.1
125.09634	6.4
129.05516	3.9
129.06978	8.0
129.45865	3.8
131.08565	24.2
133.10092	24.2
135.08067	23.7
135.11696	15.2
137.09616	8.7
139.11179	6.1
141.07002	5.2
143.08537	5.0
145.06422	4.0
145.10088	24.6
147.11646	6.9
149.09644	21.9
149.13261	6.6
157.10143	6.9
159.11707	12.5
161.13223	5.8
162.00969	4.3
167.10626	4.9
169.10132	5.4
171.11720	4.9
173.13249	5.0
183.11687	5.0
185.13278	4.5
199.09599	3.7
201.16422	6.9
211.14827	7.0
227.12770	14.0
229.15945	8.2
241.14317	25.2
243.21103	4.7
247.16995	10.5
261.22226	13.5
307.22897	5.1
321.20667	16.0
335.25739	65.6
455.79587	3.7
487.33832	12.3
501.35724	27.3
509.14191	4.1
581.41791	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	796.5928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	16.5
57.07063	7.7
67.05493	87.9
69.07057	43.6
71.08621	5.0
71.59974	3.3
73.53200	3.1
79.05494	23.1
79.76214	2.8
81.06599	7.2
81.07050	100.0
81.50710	3.4
83.04952	3.8
83.08616	25.3
90.25893	3.0
91.05488	20.7
93.07038	35.9
95.08594	74.1
97.06532	4.1
97.10172	11.5
105.07020	14.2
107.08593	18.5
109.10132	24.6
109.10774	3.7
119.08577	13.1
121.10087	17.6
123.11692	11.1
131.08568	5.4
133.10104	8.1
135.11702	6.9
147.11728	4.7
149.13190	6.7
161.13208	5.6
175.14984	4.2
261.22235	4.0
273.97128	3.8
289.47412	4.4
337.27332	99.2
339.28891	6.8
345.63425	4.1
599.49976	24.1
617.51276	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	797.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
66.42766	9.2
67.05499	12.4
73.71944	10.4
81.07057	22.7
95.08613	14.9
130.11426	9.7
142.13797	10.5
264.73758	12.0
390.84140	14.1
647.80878	14.0
769.13177	12.5
797.48151	100.0
817.66241	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.518
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	49.8
69.07043	17.1
79.05502	21.3
81.07030	44.4
91.05495	26.4
91.70952	32.8
93.07069	25.1
95.08621	28.7
101.97016	20.0
144.12363	20.3
152.75224	17.5
324.25122	22.8
337.27167	27.9
338.27594	26.4
374.41891	20.2
797.51965	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	6.5
61.02913	10.6
63.85100	2.9
67.05495	17.7
69.03423	9.2
70.43658	3.0
73.02900	9.5
79.05490	5.2
81.03390	3.7
81.07047	17.6
84.22468	2.9
85.02885	17.6
91.03945	6.8
91.05434	5.2
91.71704	3.3
93.07050	10.3
95.08594	8.5
97.02887	12.7
101.02406	5.2
105.07029	4.7
107.08584	6.4
110.63544	3.8
113.77200	3.0
121.10145	5.3
127.03831	3.5
129.16936	3.5
171.37846	3.8
263.74271	3.6
519.29376	17.4
721.11798	4.0
797.51764	100.0
798.51184	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	799.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
71.03984	2.5
81.30058	3.3
94.04159	5.7
103.05490	8.7
109.40130	2.8
122.03619	5.8
123.04327	2.9
128.06281	4.6
129.06998	8.3
131.04929	13.6
137.05980	68.0
141.07042	3.1
144.05707	3.5
145.06485	4.3
153.67738	3.0
157.06519	6.2
160.05237	3.6
163.07530	4.9
172.05147	9.0
174.06773	11.6
175.07535	4.4
187.07532	100.0
189.09090	30.9
201.09126	6.9
214.57527	3.3
217.08556	24.2
222.12804	3.0
249.09221	3.5
279.10159	4.3
291.10126	7.2
307.09772	10.4
321.11353	7.3
372.86432	3.4
505.16653	5.1
507.17776	5.2
535.29694	4.0
537.18848	18.1
555.20117	6.2
611.20898	6.2
643.22858	10.8
703.24976	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	799.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	37.0
58.50824	2.6
58.93073	3.0
61.51448	3.1
81.07053	16.1
85.06528	15.8
91.05463	11.2
91.23982	3.4
91.26942	3.4
94.04169	3.9
95.65008	3.4
103.05424	4.3
105.07024	4.6
107.78359	3.5
109.06512	8.7
117.07047	5.6
119.04955	9.5
122.03667	5.3
131.04909	8.7
137.04903	5.1
137.05966	100.0
137.06944	7.6
140.13585	3.5
151.03906	15.1
151.07536	10.4
153.09166	3.6
154.88382	3.8
163.07550	5.6
181.04964	9.6
181.20778	4.1
189.09259	5.3
189.51596	4.2
191.06961	17.1
198.69957	3.6
227.25183	3.8
263.09152	5.0
297.14853	16.5
381.20560	83.1
385.43588	4.2
387.14139	10.7
402.27344	3.8
533.81592	4.1
551.18567	4.5
654.91675	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	799.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	5.5
63.31979	5.3
67.05499	45.1
67.48931	5.5
69.07058	14.3
79.05473	17.5
81.07042	55.9
83.08663	8.4
85.02890	6.4
91.05453	26.8
91.70975	9.8
92.19131	6.1
93.07043	27.6
95.08600	41.4
97.02881	6.6
97.06504	5.9
105.07037	11.8
107.04886	6.2
107.08579	16.6
109.10154	14.0
111.04419	7.2
119.04933	22.4
121.10125	20.2
125.49544	6.4
133.10114	8.0
135.11697	13.7
140.58174	6.8
145.10228	8.2
147.04390	100.0
210.95224	6.5
471.42014	13.2
519.28845	7.6
799.46252	65.8
800.44476	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	799.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91717	4.5
61.02921	8.7
67.05496	46.5
69.03432	9.8
69.07060	16.8
73.02882	10.2
79.05471	21.3
79.06001	5.9
79.62498	6.3
81.03414	6.6
81.07055	51.4
83.08615	12.1
85.02887	10.8
91.05478	24.4
91.71021	7.5
93.07033	27.4
95.08587	29.4
97.02893	15.7
105.07021	13.8
107.08604	12.4
109.10171	11.7
119.04939	17.1
119.08572	20.3
121.10167	14.2
135.11729	11.9
147.04404	67.6
150.62085	7.8
165.05525	7.0
208.15245	6.4
210.87431	6.2
221.37413	6.9
255.20964	6.6
309.84369	6.7
453.40894	8.5
471.42068	8.7
799.45941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	4.5
58.53431	2.8
61.02908	6.3
63.05005	3.2
65.03916	3.5
67.05499	25.0
67.07239	3.2
69.03403	9.9
69.07067	10.1
73.02898	6.1
75.64929	3.3
79.05499	13.2
81.03408	7.2
81.07043	21.7
85.02878	10.2
91.03935	4.4
91.05466	15.5
93.07029	18.8
95.08585	11.1
97.02878	10.8
98.06042	3.2
101.02400	7.5
105.07035	8.3
107.08624	8.0
109.02914	3.9
109.10133	11.6
117.06981	3.3
117.92691	4.0
119.08643	3.2
121.10149	7.0
133.10150	4.4
147.04453	12.9
162.79759	3.6
166.05386	3.9
236.13097	4.0
321.58041	3.8
491.26208	11.0
799.46039	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20403	10.9
67.05495	73.7
69.07042	18.6
79.05496	28.9
81.07043	76.7
91.05470	40.8
93.07030	35.7
95.08593	37.0
107.08576	15.9
109.10165	22.3
109.57525	14.0
114.00492	10.8
119.04935	35.2
121.10133	23.3
123.11693	15.7
137.62846	11.0
147.04401	100.0
161.13147	14.2
165.05444	15.0
221.55466	12.4
241.64410	14.2
321.48148	14.0
365.12842	18.4
394.17291	14.7
472.00812	15.4
496.11395	14.6
522.18182	18.7
702.86877	15.6
711.17920	16.3
799.46301	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39013	3.4
61.02910	5.0
62.13857	4.3
67.05492	11.9
69.03408	5.6
81.03409	5.8
81.06179	3.4
81.07059	8.5
85.02886	6.2
86.77547	4.1
88.33720	3.5
91.03922	5.5
91.05489	10.8
93.07018	9.3
95.08586	7.9
97.02884	4.7
105.07041	6.8
109.10201	4.5
117.90728	4.0
120.33282	3.9
133.10101	5.8
138.01096	4.6
243.08406	6.0
298.04651	6.0
370.08948	6.0
577.62067	5.8
661.35577	5.7
696.64929	5.7
696.79297	5.3
799.46014	100.0
800.46405	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	799.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.6
66.27975	1.3
66.37466	1.3
67.05503	11.4
68.48782	1.1
69.07046	2.3
79.05465	4.8
81.06626	2.3
81.07041	12.6
81.12971	1.3
83.08617	2.4
86.49067	1.3
91.01837	1.6
91.05470	12.7
91.71690	2.7
93.07031	7.1
95.04942	1.6
95.08596	11.3
107.08595	2.9
109.10152	3.7
119.04934	19.7
121.10152	4.2
131.08548	1.4
133.10115	2.7
137.85576	1.5
147.04407	100.0
165.05457	2.3
176.68295	1.4
177.86647	1.6
245.87521	1.6
251.20058	1.6
367.24673	3.1
799.45892	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	799.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38824	4.0
67.05505	5.5
69.07074	7.9
71.83903	4.4
72.45247	3.5
81.07057	6.1
83.08604	5.0
89.88684	4.6
91.71018	8.1
95.08649	5.1
114.96453	4.4
117.55463	4.3
120.45776	4.9
182.35153	4.8
202.20168	4.6
383.24158	21.0
630.07849	6.0
741.08081	6.6
799.51855	100.0
800.50995	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	801.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30872	2.6
64.35132	3.3
65.55164	3.5
69.94041	3.2
70.11801	2.9
70.97899	2.8
89.04952	3.3
91.05466	8.4
94.04188	5.1
95.14378	3.3
103.05464	9.5
119.01751	3.7
121.06403	4.3
122.03648	6.5
129.07050	3.9
131.04918	7.7
137.05969	100.0
145.06477	4.8
151.07545	7.3
175.07564	8.6
179.76031	3.9
187.07562	17.1
189.09105	15.7
201.09140	6.7
219.10251	6.0
231.08235	3.8
249.09064	7.4
283.11047	4.2
290.09052	5.7
291.10025	7.5
295.25275	4.0
304.10849	5.4
307.09583	6.3
350.55087	4.8
355.44257	4.0
428.58572	4.0
433.16367	14.7
457.15588	4.9
507.17908	6.2
527.20538	14.0
539.20709	35.2
557.21228	22.0
599.22217	7.8
617.23157	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	801.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	4.3
66.85511	2.0
67.05492	2.8
68.24447	1.9
91.05468	2.8
91.71757	2.3
94.04195	3.9
95.04957	3.5
103.05474	5.6
104.88286	2.2
107.04940	3.3
108.02067	2.6
117.07012	2.3
119.04944	4.6
122.03629	9.5
129.06946	3.1
131.04898	9.1
131.08600	3.0
136.22594	2.5
137.05974	100.0
141.05455	4.0
145.06517	7.2
147.04416	4.9
151.03883	72.0
151.04991	7.3
151.07518	3.3
155.62321	2.8
157.06502	4.8
159.08067	2.7
159.85480	2.2
160.05151	2.7
161.20909	2.3
163.07561	3.4
167.06978	3.1
175.07526	3.7
177.09077	2.9
179.07098	3.3
189.09135	3.8
190.06221	5.2
191.06993	6.4
205.08614	17.8
261.08981	2.9
291.09885	3.2
529.22449	3.6
532.12720	2.6
557.21674	17.3
617.23712	19.9
681.26447	9.7
741.29108	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	801.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07057	18.3
57.56479	6.1
58.36978	6.7
67.05510	7.5
74.12113	6.9
75.16400	7.0
81.84263	7.2
85.06535	8.4
91.05484	15.9
93.07009	14.5
99.84824	7.4
122.03663	9.3
131.04910	12.8
131.61948	7.7
137.05968	100.0
138.81042	8.2
151.03917	30.7
154.67143	9.0
172.79240	9.0
172.80804	9.6
187.07753	9.8
191.07104	30.2
193.96162	8.6
195.23047	8.7
224.13217	9.0
365.21252	21.1
370.00861	9.5
370.06381	10.2
383.65771	9.7
398.73950	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07058	17.0
59.75152	3.0
60.88868	2.8
65.92097	2.7
75.50572	3.0
76.07843	3.2
79.05491	4.7
80.58057	3.2
81.07027	5.8
85.06511	8.8
91.05475	12.1
93.07050	7.0
95.04976	6.2
103.05405	4.8
109.06508	4.6
120.30148	3.5
122.12904	3.6
131.04935	14.7
133.66765	4.1
137.05974	100.0
140.07613	4.4
151.03925	19.9
157.10020	4.2
163.07533	5.0
167.06992	6.4
191.07004	17.1
193.84529	4.1
225.09372	3.9
296.00128	3.8
365.21042	37.3
387.14432	5.7
489.00064	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	801.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70281	4.1
57.92778	4.7
67.05510	9.3
72.12486	5.1
72.61816	4.9
73.56036	4.8
74.48932	4.5
81.07052	8.9
91.05493	5.1
97.10296	5.0
131.74263	6.1
132.56671	4.8
133.14964	6.3
147.04459	17.1
148.04659	7.2
196.96582	5.5
215.60219	5.3
284.46198	5.8
499.73749	6.3
747.68103	6.1
801.45508	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07021	2.5
88.03401	2.5
91.71683	5.2
102.54715	2.5
107.81026	2.4
151.59489	2.9
173.27852	3.2
188.73199	2.8
224.12700	2.7
330.26358	3.1
689.68787	3.7
691.19141	3.3
801.45392	100.0
802.46149	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	801.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.3
61.02923	10.3
67.05492	11.1
69.03423	8.8
69.07066	2.4
71.01339	2.1
73.02907	10.0
79.05487	7.3
81.03413	5.8
81.07037	11.8
83.08623	2.4
85.02905	10.5
91.03940	6.8
91.05463	5.3
93.07040	7.9
95.04965	3.2
95.08620	7.8
97.02893	9.2
99.04452	2.7
100.43196	1.7
101.02402	3.9
105.07012	4.8
107.08588	3.4
109.62629	1.8
119.08650	3.1
121.10127	5.3
135.11748	3.2
180.41777	2.6
184.65227	2.3
206.14554	2.3
221.03264	2.2
243.08398	3.1
333.20538	3.2
416.14923	2.7
467.27921	2.3
491.26257	7.8
783.38403	2.5
801.47504	100.0
802.47650	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	801.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	4.9
61.02918	6.3
67.05492	12.9
69.03416	5.3
69.07066	4.7
72.49880	1.4
73.02912	6.7
76.99765	1.5
79.05495	5.5
81.03414	3.3
81.07051	13.7
85.02906	10.6
91.03957	7.8
91.05457	8.0
91.70954	3.4
93.07048	7.9
95.04935	1.7
95.08598	9.9
97.02906	10.3
99.34399	1.5
101.02362	3.1
103.22398	1.4
105.07032	3.8
107.08609	5.1
109.02934	2.3
110.83373	1.7
119.04954	1.7
119.08615	3.3
121.10169	5.7
127.03901	1.8
131.08522	1.9
135.08047	1.6
135.11765	2.1
147.04456	6.9
185.04308	1.8
240.73186	2.1
243.08362	3.8
252.26897	1.7
277.66971	2.1
519.29492	5.0
523.25232	7.3
635.80511	2.1
689.34637	2.1
801.47534	100.0
802.48346	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	801.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.4
61.02916	6.1
65.03949	1.6
67.05495	6.7
69.03416	6.0
69.07048	2.2
73.02904	3.8
73.80182	1.4
75.80116	1.5
79.05494	4.8
81.03404	2.9
81.07050	6.4
83.66560	1.4
83.86698	1.2
85.02894	10.1
91.03963	4.3
91.05464	8.9
93.07038	9.2
95.08614	5.1
97.02898	6.4
99.04449	2.3
101.02367	3.1
105.07011	10.1
107.08624	4.8
109.10137	1.9
119.08598	5.4
120.25992	1.6
121.10174	2.1
123.23616	1.5
127.03929	2.1
129.06955	2.3
131.08583	4.4
133.10161	6.5
135.11684	1.7
137.34059	1.8
142.44429	1.5
147.11707	3.8
147.65417	1.7
216.62398	1.6
243.08507	3.8
252.58430	1.6
314.75272	1.7
507.25696	11.2
535.29120	5.3
664.78699	1.9
801.47528	100.0
802.47937	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	801.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62571	4.4
61.02902	8.5
67.05480	16.4
69.03401	7.7
69.07045	4.6
79.05480	10.1
81.07047	16.9
85.02892	7.7
91.05463	4.7
93.06995	12.0
94.82390	4.5
95.08588	10.3
104.12811	4.6
105.07053	5.7
111.03020	5.4
118.92605	4.8
135.65051	5.8
140.68491	4.7
142.87253	5.1
147.04385	29.7
167.49377	4.8
173.31877	5.3
208.92226	5.9
284.42395	5.4
323.31870	6.8
465.14883	6.9
465.21619	5.9
491.26010	6.9
543.21198	6.7
628.11743	6.2
756.28339	5.8
801.33105	10.0
801.47357	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	8.2
63.79800	4.1
67.05477	16.4
69.03423	6.8
69.07030	5.6
73.02909	9.7
75.62232	4.3
81.07051	23.5
84.39191	5.1
85.02849	8.2
91.03979	8.0
95.08597	9.1
97.02879	6.7
99.38604	5.3
101.07565	4.7
132.24358	5.3
158.43228	4.8
162.98927	5.6
184.07295	9.7
316.57419	5.3
521.30890	14.2
623.26373	7.4
627.58685	8.6
746.80664	6.0
801.54700	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	11.1
67.05474	14.4
69.03403	7.9
71.92134	7.2
81.07056	8.5
86.09666	8.5
86.97349	7.5
91.03968	12.1
95.08596	12.1
129.97610	9.3
140.69604	8.2
145.82817	8.5
184.07301	18.7
519.29266	11.5
801.54779	100.0
802.54340	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	802.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93538	20.8
62.84606	7.2
64.35264	9.1
76.22529	8.2
91.71066	13.6
116.97697	9.8
118.98663	7.9
128.75775	8.8
160.58722	9.6
184.11131	8.8
232.99040	12.0
241.99023	10.2
242.99760	11.6
244.00485	12.2
256.00549	22.5
312.06921	19.5
409.18335	27.5
411.20074	23.7
427.18948	50.7
428.20169	18.8
451.21854	14.9
452.22598	44.1
468.21802	100.0
469.22778	26.6
756.47357	15.2
784.46973	43.1
802.48163	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	803.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
65.61628	1.8
69.03414	4.7
70.06581	2.7
70.15970	1.6
71.04979	17.9
75.11586	1.8
84.04510	1.9
85.02896	22.9
97.02895	3.9
123.42689	2.0
127.03889	2.1
129.05524	3.5
153.01817	6.5
165.01875	2.6
167.03389	2.6
245.04599	2.3
273.04044	2.8
280.92691	2.2
301.03381	5.2
316.08835	2.2
317.06488	16.0
318.03632	9.9
333.06021	100.0
479.11557	4.7
495.11356	28.8
827.13196	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	803.327
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70878	8.7
68.08568	10.1
77.14996	10.8
91.05496	10.5
94.75904	10.7
119.40711	14.4
129.07063	12.7
137.05952	100.0
140.20625	11.2
146.83556	10.1
151.07617	11.9
153.62001	11.9
174.06778	13.6
187.52000	10.1
189.09221	18.1
190.62297	10.3
219.10188	20.4
222.57112	11.7
367.26096	12.5
405.16785	12.7
435.17789	81.5
481.24939	12.0
495.19968	38.4
619.24969	37.8
790.34723	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	803.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	28.8
66.29253	3.9
79.05494	7.7
81.07032	6.0
81.27345	4.4
91.05460	10.8
91.71673	12.4
93.07057	6.1
95.29526	4.1
102.00060	4.3
104.80822	4.7
111.30482	4.4
137.05972	100.0
159.08035	7.0
165.61205	5.2
168.20169	6.0
179.85016	5.5
187.07535	8.6
219.10182	6.1
250.51091	6.3
325.90689	6.5
365.21402	24.3
372.01880	6.2
409.83267	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	803.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	28.8
66.29253	3.9
79.05494	7.7
81.07032	6.0
81.27345	4.4
91.05460	10.8
91.71673	12.4
93.07057	6.1
95.29526	4.1
102.00060	4.3
104.80822	4.7
111.30482	4.4
137.05972	100.0
159.08035	7.0
165.61205	5.2
168.20169	6.0
179.85016	5.5
187.07535	8.6
219.10182	6.1
250.51091	6.3
325.90689	6.5
365.21402	24.3
372.01880	6.2
409.83267	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	804.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	43.3
57.41502	4.7
58.05328	5.0
73.38342	5.5
75.59365	6.1
85.06540	20.2
85.71687	5.7
107.57943	6.6
137.05963	100.0
151.07539	17.9
162.88026	7.2
199.07524	10.7
208.66005	6.4
213.09105	8.5
218.60591	6.4
229.08530	11.3
273.14719	13.5
274.81671	7.3
295.13358	27.4
350.26306	6.8
379.18701	8.0
397.20306	80.0
519.15198	7.1
572.99072	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	804.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
60.79469	1.7
64.05259	1.7
67.05491	2.1
69.03415	3.0
77.03912	1.7
77.51156	1.7
79.05482	7.1
81.03415	1.9
81.07050	2.1
83.04977	13.1
83.08601	3.9
83.42211	1.9
86.07116	2.0
91.05456	5.5
93.07036	3.3
95.04956	2.2
105.06997	3.5
107.04951	14.6
109.06481	3.0
115.05461	1.8
121.06491	7.8
122.03650	3.7
131.04904	3.2
131.08609	2.4
135.04420	12.3
137.05969	100.0
149.06018	5.9
151.03865	3.2
157.06560	3.5
161.06021	3.6
167.07010	25.1
167.08334	3.4
175.07504	11.5
177.05421	2.2
179.07063	2.7
187.07506	4.9
189.09085	4.4
199.07553	5.6
205.08577	6.3
205.12148	4.0
209.37814	2.1
235.09624	2.8
241.12053	2.3
297.15036	2.6
299.16336	2.4
314.49951	2.4
318.96280	2.4
323.16290	2.6
335.98007	2.7
341.17532	12.8
367.51685	2.5
381.20547	56.3
399.21692	2.5
430.43375	2.5
701.40259	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	804.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	32.6
73.85555	3.0
79.05492	3.4
81.07057	4.8
83.04958	3.3
85.06532	10.1
91.05447	10.1
93.07011	3.5
105.06951	4.8
105.29395	3.5
107.04948	5.3
109.06505	5.1
119.04955	7.4
122.03601	4.5
124.25394	3.8
129.07014	6.7
131.04938	8.9
137.05969	100.0
143.08521	5.1
151.07552	11.9
161.05998	4.0
162.06787	4.2
167.07104	5.9
171.08058	4.8
175.07533	9.2
187.07556	10.1
189.09140	5.2
199.07481	6.0
213.09106	6.9
223.46643	4.0
243.10204	5.9
273.11282	5.3
273.14957	5.2
295.13242	10.0
297.11093	5.1
379.19293	5.5
381.20514	5.3
397.16245	33.1
397.20840	45.0
449.56525	5.0
456.30624	4.3
611.39880	4.8
618.19525	5.3
669.10187	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	805.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	14.4
67.05489	16.1
68.58656	13.7
69.07056	12.1
76.99963	10.9
79.16819	10.7
80.75380	14.6
81.07040	31.1
85.02891	16.0
93.07017	15.8
95.08586	19.4
109.28424	11.9
128.01558	12.9
138.88040	13.3
143.50662	14.2
144.88239	15.2
165.97327	16.5
205.28865	14.0
349.20898	14.9
660.35425	16.0
805.50238	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07053	7.7
62.11207	4.0
64.75404	4.5
65.03918	5.2
68.11897	4.4
79.05494	9.2
79.72903	5.3
83.04961	8.9
84.83495	4.5
87.34908	5.1
91.05488	4.8
97.02869	10.5
103.05471	9.7
105.07055	10.1
105.96786	5.1
107.04966	15.4
122.03664	5.5
129.06999	11.4
131.04918	20.1
131.08597	7.3
135.04411	11.6
137.05977	100.0
153.48218	5.6
157.06491	7.7
159.07985	10.4
167.07066	19.8
171.08052	7.5
175.07559	7.3
179.07007	5.6
187.07503	24.5
189.09082	10.5
217.08609	17.2
235.52737	5.1
236.32053	5.5
251.10849	5.7
259.07550	11.9
269.95538	5.3
272.08301	5.4
305.16367	5.0
305.36029	5.4
315.10129	9.5
341.17654	10.6
345.11154	6.7
347.12744	12.0
377.13806	14.3
379.15625	6.7
381.20566	29.1
383.22012	7.5
385.42313	6.6
397.16226	18.4
404.67154	5.4
451.15344	10.0
467.49420	6.2
483.18222	31.4
543.19482	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	806.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94955	4.0
78.45010	3.7
79.05469	13.1
83.04977	12.5
86.71940	3.9
91.05459	10.2
93.07018	7.8
103.05397	5.8
107.04952	24.3
121.06457	8.6
121.70118	4.0
128.06190	4.7
128.46335	3.9
129.07031	5.8
131.04916	17.1
131.08563	6.3
134.61137	4.9
135.04410	16.7
137.05978	100.0
141.07060	6.8
142.17349	5.2
145.06439	5.0
147.04361	4.1
149.05978	6.3
151.07593	5.9
159.08029	27.9
161.06032	5.0
161.09610	6.3
167.07010	36.0
171.08057	16.4
175.07578	10.4
187.07524	10.2
188.83170	5.3
189.09094	24.8
201.44563	4.4
205.08482	4.5
207.13737	5.2
214.57965	4.9
341.17249	8.7
381.20514	31.8
383.22186	20.4
386.85046	5.3
397.16266	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	806.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	10.4
67.05497	100.0
69.03361	13.5
69.07051	26.6
73.80512	10.3
74.73920	10.2
79.05473	36.7
81.07047	84.1
82.06724	10.8
83.05004	11.2
91.05471	49.4
93.07020	73.6
95.04943	15.2
95.08583	58.6
99.17037	11.0
105.07026	38.3
107.08596	49.4
109.06537	17.0
109.10137	14.8
117.07009	15.5
119.08595	31.4
121.06588	14.1
121.10160	14.2
123.11590	10.4
131.08559	28.4
133.10138	21.7
147.11652	11.5
149.13246	12.1
153.83746	11.2
159.11653	13.1
232.82280	14.8
275.19980	66.9
287.60745	15.0
335.25742	46.4
337.13156	12.8
349.23773	54.7
609.45398	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	9.7
63.19255	3.8
67.05495	72.4
69.03398	4.2
69.07063	29.0
69.14725	4.4
70.06581	9.6
72.64965	4.3
78.57474	4.9
79.05486	40.1
81.03410	7.9
81.07048	89.8
83.04974	6.0
83.08604	11.2
86.27831	4.5
91.05474	54.2
93.07035	44.4
95.01318	5.3
95.04964	13.8
95.08589	41.2
97.06545	24.3
98.10388	4.8
105.07021	65.1
107.04945	10.7
107.08600	26.7
109.10160	12.0
111.08092	4.7
116.07090	12.7
117.07014	18.8
119.08569	37.0
121.06467	5.1
121.10127	14.3
131.08580	24.5
133.10104	33.9
135.11699	5.9
142.10725	4.8
145.10149	11.8
147.11707	12.7
149.09563	7.5
159.11717	8.4
163.94270	5.0
167.94667	4.4
179.14330	5.6
199.83363	5.0
205.77383	5.9
219.17458	30.4
243.23009	5.6
256.97064	5.5
275.20078	46.2
335.25735	36.6
349.23550	18.7
417.33081	6.5
609.45093	100.0
610.45227	9.0
673.97131	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	806.5831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05855	7.8
57.07061	56.3
57.07285	8.1
60.69992	8.5
70.18270	8.5
71.08638	26.7
73.06546	9.6
74.19440	8.8
80.41832	9.0
85.10153	30.0
87.04459	23.7
89.06016	100.0
95.50254	12.1
106.00082	9.4
124.33005	12.1
126.59293	11.7
130.08635	37.5
133.08577	56.5
177.11235	27.7
180.52960	11.2
182.91565	11.2
268.18018	14.0
278.85294	10.7
332.08670	10.9
371.05386	13.3
403.00864	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	808.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99589	14.7
67.05511	10.5
69.07077	7.6
69.76567	5.4
75.16946	6.9
76.02221	100.0
76.02619	8.2
76.03995	8.4
81.07077	9.3
84.04539	19.0
86.99089	7.2
91.05517	9.6
95.04970	9.1
95.08631	8.6
105.07062	11.1
110.00103	6.3
116.01730	31.3
121.10154	10.6
126.04475	6.7
129.07014	6.9
130.05016	8.2
131.08582	7.9
133.10197	9.5
135.24619	6.3
139.03973	8.8
142.03253	11.1
144.01196	15.7
145.10197	12.3
149.09616	7.1
162.02185	48.8
163.11197	8.3
179.04843	91.1
201.16383	7.4
219.17542	13.6
233.05972	12.5
247.17180	9.6
265.18314	9.9
308.09244	23.4
321.20691	11.9
337.20139	8.2
499.24896	14.4
646.29987	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	808.5561
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71976	1.5
60.05632	6.0
62.06079	100.0
62.42242	1.3
67.05497	2.4
71.24166	1.6
95.08583	2.2
116.79784	1.7
128.27010	1.7
243.86470	1.7
266.56534	2.0
268.10706	1.8
332.74234	2.1
366.59808	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	808.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	15.7
67.05495	100.0
69.07050	20.4
79.05482	65.2
81.07053	99.5
83.08589	17.9
91.05479	89.7
93.07031	83.1
95.08595	67.3
105.07037	60.4
107.08585	56.1
109.10175	22.2
117.07009	23.1
119.08577	59.1
121.10149	36.7
129.07054	10.3
131.08600	36.0
133.10138	47.8
135.11678	19.1
143.08525	12.0
145.10118	28.0
147.11703	34.4
149.13300	11.6
159.11702	23.5
161.13246	28.5
164.65834	8.7
173.13264	20.4
185.13161	9.5
197.13292	9.0
226.95622	8.4
241.19582	10.5
259.20615	48.2
333.24249	56.1
335.25739	53.0
359.29929	9.4
377.34375	10.0
555.85144	9.8
611.46539	17.8
831.27509	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	808.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	66.3
69.07066	20.0
71.92214	19.7
79.05515	20.5
81.07063	72.3
83.08629	17.8
91.05508	27.0
93.07033	40.2
95.08620	67.2
105.07031	31.5
119.08614	29.0
122.64900	19.4
130.95033	19.5
131.65337	19.3
156.78615	20.1
184.17473	19.9
209.78893	23.4
221.84514	20.1
275.20200	68.9
302.82095	22.1
337.27423	32.2
349.23813	81.0
611.46954	100.0
617.95618	22.6
629.47217	27.0
689.59137	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63816	7.5
67.24798	6.6
69.14249	6.7
74.54562	7.3
90.10352	8.8
132.27065	7.5
139.38843	8.5
722.09290	11.7
788.40350	9.5
809.35089	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	810.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
76.77249	2.9
91.05463	4.3
94.04168	3.2
95.04989	3.9
96.65612	2.8
103.05470	29.0
107.04995	3.4
122.03635	6.5
129.07056	5.8
131.04921	60.7
131.05815	5.4
137.05977	100.0
147.04424	3.6
149.06001	4.4
161.06033	4.2
163.07526	12.9
175.07579	8.2
177.09090	3.3
187.07539	42.5
189.07443	3.5
189.09097	7.3
217.08600	11.6
219.66785	3.5
261.09271	4.1
277.08600	5.2
291.10287	6.2
307.09760	5.7
319.09561	4.2
321.11337	5.3
323.56415	3.8
341.11838	4.1
346.79199	4.1
431.13940	3.7
432.13556	4.0
437.13574	4.5
475.15729	3.9
507.17603	6.9
525.19128	11.4
537.18988	9.6
555.20081	9.5
631.23358	7.3
661.24097	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	811.3655
Annotation	RA IX
Peak:m/z	Relative Intensity
71.10815	2.4
99.90977	3.0
130.89336	2.7
133.90639	2.9
134.16830	2.8
137.05971	5.1
159.04324	3.2
210.58104	2.7
277.02213	3.8
414.82919	3.1
423.21426	5.0
625.29181	3.5
635.44263	3.2
638.76752	3.4
811.36542	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52841	4.4
60.57398	4.9
63.73462	5.5
64.84973	4.6
67.05476	14.2
81.03461	7.3
81.07038	8.5
85.02894	13.3
91.71669	7.5
93.07044	5.8
95.08584	11.6
97.02892	11.8
106.35168	5.3
131.08492	7.3
397.59882	6.6
533.27362	9.8
663.01715	7.4
699.20691	7.5
811.49725	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	6.0
61.02918	7.8
67.05495	13.1
69.03415	8.1
69.07052	5.8
73.02911	6.7
79.05493	8.4
81.03434	4.0
81.07037	11.6
82.05514	2.0
85.02904	10.6
91.03950	7.0
91.05475	7.7
93.07041	10.2
95.04948	2.9
95.08588	11.6
97.02913	10.2
101.02396	3.2
105.07056	4.7
107.08609	3.5
117.07009	3.2
119.08611	3.1
121.10181	3.5
135.11749	2.8
149.06068	3.4
243.08475	4.3
274.53293	3.1
315.19476	5.0
389.27954	3.1
519.29706	7.5
533.26855	5.9
811.49530	100.0
812.49677	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	812.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	36.1
66.83910	11.7
67.05491	86.3
69.07048	34.0
78.79971	16.1
79.05487	81.6
81.03416	27.9
81.07040	100.0
83.08631	16.4
89.64558	10.9
91.05472	71.7
91.71081	22.9
93.07044	90.6
95.04939	18.5
95.08604	57.4
105.07018	71.6
107.04931	16.5
107.08582	42.3
109.06593	14.9
109.10165	34.0
117.07001	21.3
119.08605	61.1
121.10106	32.7
123.08070	20.5
129.06973	19.7
131.08553	30.1
133.10124	43.9
135.11693	23.1
145.10155	36.5
147.11703	36.9
149.09608	23.2
159.11661	22.4
171.11807	17.8
172.95084	16.4
210.16966	17.9
243.02982	17.2
259.20688	33.8
286.49243	15.4
324.05997	18.6
333.24234	22.5
361.83426	17.5
517.44965	16.4
622.57159	17.6
685.34747	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	22.5
57.07071	10.1
67.05501	96.7
69.03391	12.3
69.07043	36.0
69.72279	13.6
76.66148	12.5
78.16226	11.0
79.05480	58.4
81.03416	12.9
81.07037	93.8
83.08638	11.1
90.58188	12.6
91.05472	100.0
92.65823	10.8
93.07015	65.7
95.04978	14.3
95.08599	59.4
97.02857	13.6
105.07015	87.5
107.08573	36.0
117.07005	30.8
119.08566	61.3
129.06992	19.5
131.08539	29.5
133.10092	63.1
135.11703	23.6
143.08560	20.8
145.10127	36.4
147.11676	49.8
157.10156	14.2
159.11699	30.2
171.11708	39.7
199.14713	12.5
212.95695	12.7
213.16335	35.7
231.17398	42.8
305.21103	20.3
336.23563	14.7
367.24860	15.1
408.43427	13.4
410.32083	14.4
485.32538	21.0
599.55688	15.2
709.88330	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	812.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96094	3.0
57.03433	28.1
61.02913	5.0
65.03912	5.2
67.05495	97.8
69.03410	25.2
69.07056	55.0
71.04983	28.5
73.02904	8.0
79.05479	82.8
81.03408	17.6
81.06601	6.2
81.07049	80.8
83.04976	13.0
83.08602	14.7
85.02889	10.6
85.06547	6.8
91.05473	64.2
93.07033	100.0
95.04969	18.1
95.08597	44.8
97.02880	14.9
97.06524	81.7
97.10172	4.3
99.08043	7.4
105.07031	38.2
107.04945	7.6
107.08588	36.6
109.02866	5.6
109.06521	14.5
109.10164	16.4
110.09683	4.0
110.14008	3.8
111.08083	5.8
115.07564	27.4
117.07014	18.7
119.08579	27.7
121.06478	4.9
121.10149	44.5
123.08054	4.9
123.11678	6.1
127.03902	3.7
128.06352	3.7
129.07018	9.9
131.08571	19.9
133.10136	28.2
135.08110	11.5
135.11684	18.9
143.08598	8.3
145.10136	18.5
147.11745	8.3
149.09654	7.1
149.13298	8.6
157.10144	4.1
159.11696	15.4
161.09631	7.2
163.11226	7.6
171.11728	7.5
175.11165	5.6
201.07555	5.5
215.17934	10.5
269.17538	5.8
273.18448	19.1
291.19556	10.2
307.22607	57.9
347.22208	9.0
365.23419	9.0
501.35727	14.5
581.40161	4.7
597.41241	7.9
621.35388	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	812.515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	32.7
57.07043	4.4
64.61189	4.4
65.03931	5.3
67.05132	5.6
67.05493	83.4
67.85339	4.2
69.03413	19.3
69.07057	70.2
71.01315	4.5
71.04983	30.0
73.02911	8.4
74.73254	4.2
79.05486	85.2
81.03413	23.9
81.07042	89.7
81.42624	4.5
83.04977	7.9
83.08578	13.0
85.02885	9.8
91.05468	68.5
93.07042	75.4
95.04963	21.5
95.08594	69.4
97.02901	13.7
97.06522	100.0
99.04441	5.6
99.08089	14.0
105.07025	44.4
107.04956	12.5
107.08604	42.8
109.06542	15.9
109.10156	16.7
109.59130	4.6
111.04424	5.7
115.07561	35.0
117.06991	15.6
119.08594	26.0
120.44938	5.2
121.06456	8.8
121.10167	34.3
123.08091	9.2
123.11652	5.8
129.07042	17.8
131.08565	23.0
131.78012	5.1
133.06497	6.3
133.10112	21.6
135.08101	13.8
135.11688	10.7
137.09605	6.0
143.06062	5.2
143.08559	17.2
145.10136	19.7
147.08054	9.4
147.11671	16.1
149.09616	18.9
157.10100	11.6
161.09618	7.5
161.13313	9.1
165.09120	5.4
171.11691	15.5
173.13171	6.6
177.09122	7.9
183.11656	7.2
189.12801	9.5
199.14781	7.4
201.07732	5.1
217.15862	6.9
227.14365	12.6
241.14394	13.6
245.15332	35.0
261.22226	7.4
263.16428	7.0
286.22580	5.4
289.57904	6.6
335.25760	58.8
337.20041	10.2
613.57996	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	813.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07066	15.6
71.63303	13.7
80.64532	13.6
84.08118	48.6
100.07594	38.0
104.81320	13.5
112.07576	20.7
230.23819	21.6
271.65668	18.6
401.06726	77.7
447.07248	100.0
543.91937	21.0
756.46332	19.4
813.36115	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	813.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	16.6
65.03931	1.9
65.19610	1.6
71.77523	1.5
79.05486	4.3
81.07059	10.7
83.26021	1.8
85.06542	7.4
91.05486	10.6
93.07027	5.1
94.04174	2.4
95.04962	4.0
95.08599	2.4
103.05473	4.1
105.07027	3.8
107.04952	3.1
115.05463	1.7
116.86477	1.6
119.04932	4.0
121.06509	2.5
122.03649	5.0
131.04939	7.8
131.08536	1.7
135.04443	3.1
137.05974	100.0
143.08456	2.5
147.04433	2.2
149.05937	3.1
151.03929	3.5
151.07521	3.0
153.07040	2.0
157.10161	2.7
158.27342	2.0
161.06018	2.9
163.07539	2.4
167.07028	8.4
175.07533	3.1
177.05461	5.1
181.04959	4.8
187.07568	7.7
189.09085	2.5
195.08119	2.2
213.08992	3.5
227.14211	3.5
233.47824	2.4
241.15871	2.7
245.09679	2.4
267.13766	2.5
291.10358	2.5
293.15054	2.5
295.13297	3.2
346.69644	2.1
347.12701	4.4
347.91483	2.5
357.13562	3.3
365.21075	4.4
377.21017	5.2
387.14258	18.8
395.22324	9.4
397.20276	6.4
501.18881	6.7
561.21106	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	813.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	36.9
61.86519	1.3
65.03924	1.8
68.20200	1.5
75.60483	1.4
78.84925	1.7
79.05463	2.7
81.07043	14.9
81.57765	1.6
85.06533	17.7
85.73859	1.7
90.66933	1.4
91.05473	12.1
91.71735	2.5
94.04203	2.9
95.04967	2.5
105.06993	2.5
107.04932	1.9
109.06520	10.0
118.94135	1.5
119.04978	4.5
119.08489	2.3
122.03643	6.3
125.05939	2.1
129.07014	5.4
131.04947	4.6
131.08560	3.6
133.02829	2.7
135.07990	1.9
137.05971	100.0
141.07001	1.8
144.05672	2.2
145.10069	1.7
147.04431	2.0
147.08000	2.0
151.07559	11.3
153.05392	1.6
155.08505	3.0
157.06503	3.3
159.08066	4.4
161.05981	5.3
161.09636	2.3
171.08040	1.9
173.09599	4.1
175.11122	2.8
181.06567	2.1
187.07510	4.4
187.11125	1.8
189.09140	6.7
191.07031	2.7
197.09698	1.7
198.06645	3.7
199.07556	2.1
201.09137	4.9
202.21979	1.9
213.09131	7.0
215.10678	4.6
219.10101	3.3
221.09610	3.1
225.09155	4.4
229.08549	3.6
243.10155	15.7
243.13803	2.8
245.15375	3.5
253.12152	3.0
257.15387	3.0
273.11349	2.2
291.10049	2.5
293.11649	2.8
297.14899	9.1
303.09866	2.4
321.11465	2.5
351.12170	2.7
354.14465	3.8
379.15414	3.3
381.20560	97.6
397.16333	43.2
423.82626	1.9
662.39050	2.1
680.24036	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	813.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75109	1.0
57.07069	40.0
65.03951	1.1
67.05541	1.2
69.11785	1.0
75.62737	1.1
79.05492	1.3
81.07050	13.9
83.04981	2.0
85.06539	16.3
87.18099	1.2
91.05476	9.9
93.07077	1.2
94.04215	2.3
95.04982	2.4
103.05507	1.8
105.07059	2.3
109.06519	12.1
115.05506	1.5
117.07056	1.4
119.04916	6.2
119.08651	1.9
121.06526	1.7
122.03643	7.4
125.06052	1.2
128.06293	1.9
129.07025	3.6
131.04932	3.2
131.08568	5.9
133.02896	1.4
135.04460	1.4
137.05974	100.0
145.06517	1.7
145.10252	1.3
147.04475	1.5
147.08081	3.0
151.07523	16.9
153.05540	2.6
153.07002	1.2
155.08556	1.3
157.06566	2.2
158.07295	2.2
159.08081	4.1
161.06030	3.6
163.07558	1.3
165.07071	1.9
169.06505	1.3
171.08070	2.1
172.08809	1.8
173.09673	4.1
174.06831	1.4
175.07576	1.9
175.11237	3.0
181.06485	1.6
183.08205	1.5
185.09668	3.3
187.07637	3.7
187.11198	1.5
189.09143	4.6
191.07028	2.2
198.06816	2.2
199.07529	2.5
200.08406	1.6
201.09198	4.3
211.07683	1.5
213.09111	6.6
215.10745	3.3
215.14355	1.4
221.09583	1.3
225.09209	4.1
229.08672	2.1
231.13887	1.5
239.10843	1.3
243.10170	6.0
243.13936	2.6
245.15182	1.4
253.12167	2.1
257.15323	2.8
272.59952	1.4
273.11270	9.1
273.14627	2.7
275.10861	2.2
279.10977	1.4
291.10077	2.0
297.14761	8.9
323.12994	1.6
367.15305	3.2
379.15631	2.3
381.20587	91.6
382.20932	2.8
397.16364	33.1
644.43903	1.4
661.90814	1.4
813.77258	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	813.4904
Annotation	Glabrin C
Peak:m/z	Relative Intensity
59.80492	8.1
60.03883	6.7
63.21854	7.6
68.55832	7.2
91.71684	9.0
101.30950	7.9
108.01240	9.1
127.41709	7.2
135.93559	8.4
136.04933	8.1
194.74019	8.3
202.85785	9.1
685.34851	10.3
813.48969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	5.1
61.02917	9.9
67.05492	11.2
69.03430	7.9
69.07048	4.4
73.02908	7.4
79.05489	7.3
81.03391	3.2
81.07047	9.1
81.27397	2.7
85.02891	13.0
91.03947	6.4
91.05467	7.3
91.71027	4.6
93.07051	9.8
95.04973	3.1
95.08596	7.2
97.02901	10.3
101.02381	5.1
105.07047	7.5
107.08608	5.3
119.08583	4.4
131.53191	2.8
156.70280	2.8
243.08432	3.8
261.18625	3.4
265.07770	3.3
269.29114	3.1
282.77933	3.3
423.14505	4.2
519.29364	8.7
535.28424	6.5
537.42194	3.9
813.51093	100.0
814.52014	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	813.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02946	6.1
64.42364	7.1
67.05513	12.4
71.64522	6.1
73.02903	7.1
81.07060	19.3
85.02880	8.7
95.08647	7.4
97.02895	7.5
111.35814	8.3
113.67837	7.4
142.55200	6.8
144.94823	7.0
163.48943	6.7
261.45200	8.1
813.51147	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	17.2
57.11287	2.7
59.70966	3.0
62.86025	3.1
67.05494	52.0
67.51682	3.0
69.07069	25.5
72.75712	3.0
79.05482	40.3
81.06686	3.9
81.07047	100.0
81.13177	3.2
83.04962	4.5
83.08607	6.2
91.05461	19.5
93.07047	42.7
95.04961	7.7
95.08601	42.2
97.06537	11.9
99.08099	4.4
105.07029	18.4
107.08588	28.1
108.89899	3.9
109.10156	15.1
111.61045	3.5
117.07035	6.9
119.08588	14.3
121.06470	3.9
121.10122	23.3
128.32182	4.7
130.20235	4.5
131.08554	14.4
133.10107	11.6
135.11682	7.2
137.09656	4.4
139.11240	5.1
145.08556	4.8
145.10162	9.6
149.09668	9.1
159.11668	6.9
201.11227	16.6
229.15807	4.1
241.14362	15.0
247.16966	5.6
261.22208	8.4
263.09543	5.0
301.95322	3.8
321.20624	13.7
329.06271	6.3
335.25803	37.6
339.21753	8.8
428.95599	3.9
461.32220	8.0
501.35507	11.3
581.41998	11.7
599.43030	7.2
599.85223	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	815.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	12.5
63.08005	1.5
63.64044	1.6
65.84324	1.4
75.97875	1.7
79.05491	3.5
79.12827	1.6
80.22872	2.0
81.07046	5.4
82.60388	1.9
85.06519	4.8
89.68982	1.9
91.04958	2.8
91.05463	13.5
93.07025	9.0
94.04183	2.4
95.04967	3.5
105.07011	2.0
119.04943	2.7
122.03639	5.0
129.07014	5.7
131.04893	3.1
131.08568	2.9
133.02859	2.7
137.05968	100.0
137.09596	4.6
143.08595	3.5
147.04391	3.5
149.05986	4.4
151.03893	2.4
151.07501	3.3
153.06790	1.8
155.08528	2.4
157.10159	2.3
158.07242	2.0
159.08067	2.8
161.05949	3.9
169.10260	2.0
171.07957	2.4
179.07063	2.1
185.09595	3.1
187.07584	3.7
187.11171	6.3
198.06773	3.3
201.09084	2.0
213.09149	4.0
215.14389	2.5
225.09117	3.6
229.15936	5.7
241.15913	2.3
241.43025	1.9
243.10133	4.5
245.09605	2.8
247.16922	2.4
273.11243	8.9
365.21143	20.9
367.15286	6.0
377.21170	3.2
379.15125	2.6
395.22119	6.1
397.16415	25.9
413.23172	5.3
688.85822	2.8
688.98370	2.3
712.72736	2.7
722.56873	2.4
803.96509	2.8
816.02502	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	815.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06833	1.5
57.07072	15.7
58.27657	1.3
67.05476	1.9
72.93412	1.2
76.02776	1.2
79.05483	2.4
81.07052	4.7
81.43681	1.0
85.06535	7.9
91.05484	11.5
93.07030	6.3
94.04179	1.7
95.04960	4.6
95.08609	1.6
105.07048	1.7
109.06496	1.5
110.61835	1.2
117.06962	2.8
119.04913	3.2
119.28827	1.6
122.03642	3.8
128.06165	1.6
129.06999	5.9
131.04945	3.2
131.08548	3.4
133.02858	1.9
137.05977	100.0
137.09601	3.2
137.95702	1.3
141.06987	1.7
143.08626	3.4
145.06543	2.2
149.05927	2.5
151.07567	4.8
151.11099	1.6
152.06168	1.7
155.08571	3.2
157.06476	2.3
157.10176	2.6
158.07364	1.9
159.08014	1.9
161.05943	2.4
163.83055	1.4
168.38354	1.5
181.06522	1.8
183.08029	1.7
184.08879	1.6
185.09619	2.1
187.07559	3.2
187.11188	4.4
189.09135	4.8
198.06931	2.2
201.09140	2.6
202.07722	1.9
213.09109	3.4
215.10649	2.0
219.10178	5.6
227.10661	2.8
229.15936	3.9
231.07870	1.7
241.15828	3.0
243.10144	6.9
245.09717	1.5
263.10635	1.9
264.08197	1.5
273.11243	2.6
284.76178	1.4
285.08972	1.5
291.10193	2.0
293.08200	1.9
309.14948	1.8
335.12604	1.7
354.14679	2.9
365.21097	35.3
365.25735	2.0
366.21304	1.8
367.15451	3.7
377.21030	2.4
379.15567	2.4
383.21994	3.6
395.22214	4.4
397.16397	25.1
413.23093	3.2
796.38141	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	815.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	5.4
67.05492	24.1
69.03416	6.4
69.07050	12.4
70.33681	5.7
73.02935	5.9
79.05470	9.0
81.07045	21.7
85.02864	9.9
91.05491	11.6
93.07036	17.2
95.08606	12.9
105.07036	8.6
107.08588	7.3
117.07109	6.5
119.08564	8.0
121.10140	5.9
214.43600	5.7
240.96605	6.9
253.54289	6.1
307.17017	6.6
310.98788	7.3
393.74286	7.9
462.63181	7.4
654.07721	8.0
815.45685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.2
61.97349	3.5
67.05489	19.1
69.03410	7.8
69.07047	7.5
71.04980	9.0
73.02912	4.8
79.05486	9.3
81.03393	6.4
81.07047	24.5
85.02911	14.3
91.05469	7.5
93.07047	10.2
95.08600	13.8
97.02876	6.0
105.07011	6.9
107.08596	6.0
119.04907	7.3
121.10153	10.5
125.12254	4.1
131.08594	5.7
147.04460	12.0
198.64961	4.3
220.27486	4.3
244.19464	4.3
278.72272	4.3
319.18768	7.2
389.50711	5.1
519.28894	5.7
537.27167	9.2
815.49170	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	3.7
61.02921	6.2
63.34282	2.3
67.05495	15.0
69.03412	6.9
69.85973	2.4
71.04977	6.4
73.02918	5.1
79.05480	10.0
81.03411	3.1
81.07057	21.0
84.82752	2.6
85.02888	9.4
91.03926	5.9
91.05473	14.3
91.71783	5.8
93.07040	11.5
95.08591	12.6
97.02853	8.0
105.06987	3.2
107.08610	5.1
109.10157	3.6
119.08575	4.4
121.10159	5.8
135.11713	7.1
147.04411	7.6
214.26028	3.4
243.08362	4.3
319.18857	6.6
519.29425	9.5
537.26624	4.6
578.62640	3.8
604.01727	3.9
815.49060	100.0
816.49420	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	815.5089
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18201	2.3
66.11111	2.4
67.05496	83.5
69.07068	15.0
70.19769	2.2
71.04987	3.1
79.05154	2.6
79.05494	27.1
81.07046	82.1
83.08610	12.3
85.06541	4.0
85.08284	2.5
91.05471	41.3
93.06487	3.6
93.07037	44.3
95.04938	6.6
95.08601	65.6
97.06532	6.5
97.10189	3.5
105.07020	16.8
106.71726	2.8
107.08575	23.3
109.10159	21.4
111.08012	3.0
111.83245	2.9
117.06996	4.8
119.04943	28.2
119.08607	11.2
121.10147	44.6
123.08089	2.7
123.11707	7.4
131.08586	10.7
133.10109	9.9
135.11671	28.9
137.13261	3.4
145.10114	11.6
147.04405	100.0
147.11720	7.9
149.13206	6.0
149.75284	2.6
159.11754	3.6
161.13231	4.7
165.05484	4.5
174.74661	2.8
221.19016	4.6
247.20595	4.0
261.22211	4.3
351.04810	2.9
451.39438	8.4
469.40359	30.1
487.41681	13.1
565.54919	3.0
596.26794	3.0
640.65063	3.4
755.65533	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	815.509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03387	2.7
60.75470	2.3
62.77427	2.5
65.03922	4.7
67.05494	85.4
69.07054	16.2
71.04965	4.7
76.33405	2.3
79.05486	28.9
81.07047	86.1
83.08602	13.9
85.06493	4.6
91.05472	44.4
93.07034	51.0
95.04955	6.7
95.08598	76.0
97.06514	5.9
97.10150	4.7
99.08074	3.8
105.07025	18.7
107.08583	35.2
109.10134	24.4
117.06995	3.5
119.04926	27.1
119.07901	2.5
119.08599	15.8
121.10140	49.1
123.11703	7.8
131.08566	12.0
133.10120	12.2
135.11678	36.1
140.11378	2.7
143.08553	3.6
145.10120	11.8
147.04396	100.0
147.11678	7.9
149.13257	9.9
152.61804	2.8
159.11697	4.0
173.13400	3.3
175.14767	3.8
184.07356	4.9
215.17989	2.9
217.19646	3.7
293.88223	3.0
344.11612	3.3
451.39496	17.8
469.40408	29.1
487.41602	12.9
649.81152	3.2
815.47809	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	815.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	82.5
69.07044	14.5
79.05490	33.1
81.07047	100.0
83.08593	11.8
86.09697	8.9
91.05467	31.7
93.07039	54.0
95.05008	8.7
95.08583	61.1
105.07028	21.6
107.08586	19.0
109.06477	5.8
109.10162	22.1
119.04208	6.0
119.04917	34.3
119.08597	11.1
121.10130	42.4
123.11714	10.5
130.93161	5.5
131.08557	19.9
133.10141	10.8
133.17404	6.6
135.11678	31.7
142.56816	6.6
145.10147	9.0
147.04407	84.4
147.11650	7.6
161.25786	5.6
165.05437	7.3
184.07359	28.4
336.23520	6.8
451.39328	17.0
469.40289	18.0
487.40796	9.6
815.48364	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	815.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
72.75984	14.1
73.47167	14.6
81.07053	16.7
95.08601	17.9
100.05901	13.5
119.08634	13.9
129.81779	15.8
133.37099	13.8
135.89902	13.3
139.45207	12.6
182.20389	19.8
207.07295	15.4
210.77774	14.5
227.93207	18.0
347.49326	19.9
815.52344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06794	3.0
57.07065	43.0
61.53254	1.7
67.64159	1.9
70.97903	1.8
78.96958	1.8
81.07043	13.8
83.04955	4.7
85.06532	16.0
91.05469	9.6
95.04983	3.9
103.05463	8.2
105.06971	3.3
109.06492	12.2
119.04945	7.5
121.06467	3.5
122.03637	3.9
125.05993	2.5
129.06970	3.5
131.04941	15.4
131.08528	3.8
135.04416	3.8
137.05960	91.1
147.08072	2.5
148.05208	2.9
151.03873	24.6
151.04945	2.8
151.07509	11.9
153.05446	3.7
159.08058	3.1
163.07541	5.4
173.09555	3.7
175.07561	3.1
175.11121	2.1
181.04947	5.3
187.07527	2.2
189.09158	4.5
191.07019	27.0
213.09134	3.2
221.09521	2.1
229.08664	2.8
245.15479	2.7
263.02933	2.4
263.09186	4.6
277.11493	3.0
297.14825	9.3
298.76944	2.3
381.20557	100.0
387.14188	11.6
573.44861	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	816.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	30.6
62.35379	2.2
63.44145	2.1
79.05470	2.7
79.26067	2.5
81.07039	12.7
81.61972	2.4
82.53816	2.4
85.06532	14.4
87.11606	2.6
89.20048	2.6
91.05479	12.0
103.05461	5.8
108.85557	3.2
109.06504	7.8
119.04933	4.9
121.84929	2.5
131.04929	15.5
131.08549	3.6
133.06525	4.5
135.80356	2.9
137.05968	75.0
147.73247	3.0
148.05139	3.2
151.03923	14.4
151.07526	10.5
152.37549	3.2
157.06503	3.1
161.05933	3.5
163.07576	5.5
167.07056	3.4
179.07169	3.2
181.04900	3.3
187.07518	2.9
187.11145	3.2
189.09045	6.4
191.07013	19.2
257.15256	3.7
297.14752	7.5
381.20584	100.0
382.20731	4.6
387.14398	7.6
632.54688	3.2
716.47241	3.7
730.33282	3.8
811.89032	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	816.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87749	1.7
67.05511	8.6
69.07081	2.2
79.05486	2.9
79.20074	1.9
81.07064	4.6
91.05477	3.2
93.07053	4.5
95.08639	2.3
101.35751	1.7
119.03568	2.7
121.10149	2.8
136.06183	100.0
142.49579	1.8
147.04340	1.9
165.34924	1.8
209.73088	2.0
303.32745	2.3
324.39923	2.2
330.19336	8.9
422.24075	3.5
654.42279	24.5
816.47290	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	816.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	2.2
61.84486	1.2
66.50207	1.2
67.05484	6.4
69.07057	1.7
79.05487	4.1
81.07039	6.1
85.02907	3.7
91.05454	1.6
93.07043	4.7
95.08595	4.0
107.08577	2.2
111.28371	1.3
119.08601	2.1
121.10155	1.7
127.84120	1.2
131.08513	1.2
136.06186	100.0
137.73616	1.6
192.08818	1.5
271.86115	1.4
302.16077	13.9
308.06308	1.6
312.65002	1.8
320.17145	3.0
376.19839	2.4
394.20627	2.8
654.42059	23.8
816.46484	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	817.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.7
58.47093	0.4
59.70317	0.4
61.02910	0.7
69.03407	2.0
71.04980	18.1
72.06861	0.4
74.14115	0.4
76.12891	0.4
78.14229	0.5
81.03413	1.1
83.04973	1.1
85.02893	20.0
87.04444	0.8
97.02878	2.0
98.06059	0.6
104.13196	1.0
109.02880	0.6
109.85955	0.5
111.04398	1.0
111.19899	0.5
112.59781	0.5
121.02801	0.9
127.03892	0.7
129.05458	4.0
139.03894	4.1
147.06468	0.6
153.01825	5.0
153.05441	4.1
165.01881	2.5
181.04956	1.7
183.02892	0.8
207.06429	0.9
213.05475	0.6
229.05103	0.8
231.06476	1.4
241.04886	0.7
244.03606	0.8
258.05170	3.8
259.05988	1.9
269.04401	1.6
272.03091	0.8
285.03894	1.7
286.04630	4.6
287.05463	7.7
291.08591	2.1
303.05014	1.7
314.04144	1.2
315.04965	2.5
318.07141	0.8
331.04340	3.6
332.05087	2.3
333.37964	0.8
347.07571	100.0
348.07877	1.7
509.12833	25.6
510.12222	0.7
520.78192	0.5
750.45203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70001	0.4
57.03418	2.3
61.05126	0.4
66.81736	0.4
69.03406	1.5
71.01307	0.5
71.04980	16.1
73.02907	0.6
75.04462	0.7
81.03404	0.7
83.04962	0.9
85.02899	17.3
87.04456	0.7
90.84837	0.5
95.68540	0.5
97.02875	1.1
98.06054	0.7
104.13177	1.0
105.85294	0.6
111.04418	0.9
114.38245	0.5
114.96322	0.5
127.03902	0.7
129.05476	3.3
129.43095	0.6
132.79416	0.5
139.03900	1.1
145.04932	0.7
147.06471	0.9
153.01859	3.6
153.05461	0.8
165.01801	1.0
178.02545	0.8
233.21973	0.6
244.03873	0.8
255.86255	0.8
258.05157	5.8
259.05875	1.8
285.03928	0.6
286.04620	5.4
287.05579	2.7
297.04074	0.7
303.04977	2.1
314.04169	2.1
315.05005	2.7
331.04459	10.5
332.05261	4.7
345.83389	0.7
347.07578	100.0
348.07877	1.9
429.88470	0.6
435.75272	0.6
509.12875	20.7
756.35760	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05484	10.6
87.04475	26.8
91.70937	15.9
95.08597	11.4
100.23564	7.9
100.38446	9.1
104.07076	44.1
104.10741	100.0
112.12241	7.5
145.60701	9.1
171.69432	10.5
187.30550	8.4
198.32214	11.2
611.14960	10.6
787.08655	10.9
817.45685	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	817.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05484	10.6
87.04475	26.8
91.70937	15.9
95.08597	11.4
100.23564	7.9
100.38446	9.1
104.07076	44.1
104.10741	100.0
112.12241	7.5
145.60701	9.1
171.69432	10.5
187.30550	8.4
198.32214	11.2
611.14960	10.6
787.08655	10.9
817.45685	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	817.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97450	7.0
65.60525	5.9
67.05481	8.2
69.10007	6.4
81.07021	10.1
91.71577	11.7
148.73885	7.8
174.89375	9.0
204.47849	8.3
252.55721	8.4
575.31500	8.8
796.89307	9.7
817.45050	100.0
818.43317	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	817.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	3.2
61.02922	8.1
66.90541	3.2
67.05513	9.0
69.03444	10.3
69.07082	4.8
73.02914	6.0
79.05473	9.4
81.03411	3.6
81.07063	9.3
82.90385	3.7
85.02914	7.4
91.03974	4.9
91.05496	16.4
93.07072	12.1
95.08600	7.1
97.02912	7.2
101.02371	4.2
104.55278	3.4
105.07053	9.1
107.08617	7.4
109.10136	5.1
119.08572	4.6
121.10211	5.9
127.04012	3.8
147.11769	3.9
151.51869	3.5
166.22864	4.0
243.08505	4.6
267.87366	4.0
292.30524	4.0
361.05753	4.2
507.25720	7.0
519.86865	4.2
551.28467	7.1
817.46844	100.0
820.33630	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	817.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46379	4.8
60.54007	4.6
61.02921	6.7
66.09941	5.0
67.05507	13.2
69.03432	6.5
73.02869	6.4
79.05505	9.3
81.03359	8.3
81.07056	15.0
85.02849	9.5
88.51019	6.4
91.05492	6.4
93.07013	11.2
95.08627	8.3
96.68836	6.2
102.65441	5.8
105.07025	9.6
135.07944	5.6
179.17117	7.7
179.65338	6.9
204.33235	6.6
211.17281	7.1
250.37570	6.4
297.27429	7.5
307.51425	6.5
683.74579	11.1
817.46887	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	6.8
61.02912	11.3
67.05495	13.2
69.03415	11.1
69.07061	8.4
73.02913	8.5
79.05485	11.1
81.03426	3.6
81.07055	12.0
83.32328	2.6
85.02909	14.2
91.03944	9.4
91.05495	8.2
91.71008	6.7
93.07038	12.9
95.05040	2.5
95.08608	9.4
97.02910	9.0
97.06532	3.1
101.02375	4.2
109.10201	4.5
119.08602	3.2
121.10166	7.3
127.03898	3.3
168.90886	2.9
197.00917	3.2
214.09085	2.8
273.12009	3.9
278.06372	3.0
349.19739	16.0
357.37680	3.2
491.26041	5.5
583.99011	3.9
817.46924	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.6
58.37866	2.4
61.02904	10.6
67.05484	11.8
69.03414	6.6
69.07067	5.4
69.64988	2.8
71.04991	3.3
73.02898	7.1
79.05484	4.6
81.03384	3.7
81.07053	9.3
85.02892	11.5
91.05466	6.0
93.07018	9.2
95.08622	5.9
97.02851	8.4
101.02382	3.5
105.07005	4.4
107.08556	6.2
109.10154	3.0
134.53725	2.9
158.51205	3.1
163.51796	3.7
197.13818	3.2
212.01416	2.8
223.43729	3.0
243.08372	3.4
321.16702	8.3
424.74701	3.8
519.29315	6.4
532.50049	3.8
539.24274	6.3
684.31000	6.2
817.46942	100.0
818.46985	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	817.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.3
58.67125	2.0
59.04338	1.9
59.23586	2.0
61.02921	10.0
64.84931	2.4
67.05503	16.3
69.03416	7.9
69.07067	2.4
73.02897	6.0
73.68542	2.1
79.05489	9.7
81.03405	4.7
81.07045	18.8
83.70610	2.2
85.02901	16.0
89.27700	2.3
91.03954	6.3
91.05471	8.5
93.07057	10.5
95.04976	4.8
95.08622	12.1
97.02895	8.3
97.06516	3.9
98.08603	2.6
99.04449	3.1
103.03851	2.2
105.07045	6.1
107.08526	3.2
109.10164	3.2
111.02798	2.6
121.10191	5.5
123.08092	2.4
127.03937	4.4
130.19447	2.5
136.68073	2.4
182.18060	2.6
182.19667	3.2
215.52098	2.8
218.64830	3.3
252.24933	2.8
317.29382	3.7
349.19635	17.6
392.37485	3.1
491.26141	5.3
526.08405	3.5
817.46924	100.0
818.47003	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	817.522
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82825	22.4
72.79061	23.2
80.87314	23.3
83.14043	28.1
96.71406	25.4
131.22043	30.2
197.41948	26.5
241.06134	29.8
241.45152	36.9
262.99405	30.5
311.35840	36.4
555.43884	34.7
722.70490	33.9
817.51434	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	3.6
65.10459	2.7
69.03417	8.1
69.40948	3.4
74.14951	3.1
79.05470	13.0
81.07040	5.1
83.04970	24.6
91.05467	12.4
95.04938	5.4
97.02876	14.5
99.04448	5.4
103.05463	5.3
105.07034	6.1
107.04939	31.6
112.96274	3.3
119.04939	9.1
121.06494	10.4
129.07071	5.5
131.04906	22.0
133.06474	4.9
135.04431	23.7
137.05966	74.4
145.06534	4.3
149.05986	13.1
151.03935	4.8
159.08076	4.5
160.25824	3.5
161.05980	11.5
163.07498	7.7
167.07008	45.5
177.05521	6.0
187.07397	6.6
189.09109	7.7
191.10622	5.3
201.12759	6.9
205.12248	13.6
219.06567	7.0
299.16443	4.2
311.16193	4.6
323.16336	5.5
334.32092	4.2
341.17419	23.4
351.19485	32.8
353.17365	5.0
366.18350	4.8
371.18524	5.2
381.20526	100.0
382.20911	5.6
399.21390	10.7
553.44611	5.0
564.61249	4.9
575.26392	4.3
674.13568	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	818.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	16.4
79.05473	3.3
81.07028	3.7
85.06539	6.2
87.71738	3.9
91.05492	12.3
93.07011	8.8
95.04978	4.5
95.22935	3.9
103.05465	4.7
105.07009	4.2
122.03666	6.3
131.04932	10.7
137.05977	100.0
151.03860	23.5
151.07634	4.8
163.07550	9.7
179.86574	3.7
181.05025	3.5
187.01128	4.0
187.07521	4.1
187.11217	7.5
191.07018	20.7
203.06874	3.8
229.15898	6.7
253.12343	4.7
298.16034	4.9
365.21118	29.6
377.20938	5.9
383.22073	5.6
387.14362	10.0
395.22165	14.2
413.23181	11.6
548.11133	4.2
712.44409	4.4
832.09467	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	818.5771
Annotation	Unknow
Peak:m/z	Relative Intensity
60.02552	7.7
67.05494	100.0
69.07038	24.0
76.49042	9.6
79.05480	36.4
81.07053	98.7
85.02236	11.2
91.05464	37.3
93.07055	64.2
95.08604	56.4
105.07039	17.0
107.08572	21.0
109.10140	12.5
117.07001	13.5
119.08595	22.1
121.10139	22.5
131.08565	19.3
135.11636	9.9
145.10089	11.3
159.11671	15.9
175.05208	9.9
178.45758	10.6
189.29591	10.2
195.13522	9.7
200.82025	10.0
251.59776	11.5
312.81503	11.9
335.25842	93.7
361.27292	13.0
451.04410	11.0
754.45526	12.9
754.59082	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	818.6195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	45.6
58.53466	6.6
68.08688	9.0
68.59718	8.3
70.26316	8.4
71.08617	39.7
73.06554	10.0
85.10168	30.8
87.04468	14.7
89.06021	100.0
107.55135	9.3
117.09182	19.1
120.62103	7.5
121.06480	9.1
130.08640	38.9
130.90010	9.7
131.07077	9.5
133.08565	58.3
146.81244	9.7
155.08171	9.3
172.84380	9.3
177.11247	21.4
254.42345	10.2
340.70071	9.5
352.52158	13.3
474.99197	8.9
551.82190	10.3
559.13306	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	1.7
65.03935	2.6
65.13148	1.3
67.05466	1.8
81.03413	6.6
91.05462	2.8
95.04974	2.1
100.76315	1.5
103.05442	3.2
108.02091	3.7
111.04429	3.5
115.05479	1.4
117.07033	2.0
119.04939	3.1
122.03580	3.6
128.06097	1.6
129.07025	2.4
131.04945	5.5
137.05975	32.0
137.06952	2.4
141.05478	5.7
145.06480	10.9
147.04442	3.4
147.08069	1.9
151.03902	100.0
151.04959	6.2
151.07559	3.7
157.06476	4.4
159.08090	2.0
161.05949	2.1
163.07564	2.0
163.26524	1.5
173.05975	4.7
174.06845	2.6
175.07593	2.8
179.07062	2.5
187.07500	2.2
189.09232	2.6
190.06264	5.0
205.08597	22.6
235.09628	42.7
235.11890	2.6
261.08972	3.5
277.08447	2.5
287.10568	2.4
288.11761	1.7
291.10226	3.5
295.90436	1.6
301.12329	1.7
305.11810	1.6
323.12775	2.9
337.14023	2.4
355.15353	4.7
355.89761	2.2
387.01526	2.0
557.21710	14.1
617.23755	27.6
651.68536	1.7
681.26984	3.5
741.28430	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	819.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	6.3
61.02909	4.9
62.81733	3.4
67.05501	13.0
69.03411	9.9
69.07043	7.1
73.02906	5.0
74.26017	4.6
76.33149	3.5
81.03428	4.2
81.07037	17.7
85.02899	9.3
93.07066	7.3
95.08591	11.5
97.02913	7.0
121.10173	6.4
294.79953	4.8
341.02249	4.5
359.26193	4.5
381.62305	4.5
529.07501	4.6
541.25995	13.4
819.33923	6.0
819.48474	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37684	3.8
68.01376	4.5
91.05463	5.3
92.96933	4.1
98.40564	4.6
122.37239	5.3
129.07027	11.6
131.08603	8.5
137.05968	82.1
137.62419	4.2
144.05725	8.6
145.06502	15.1
151.07536	5.2
151.30498	5.4
157.06415	5.9
159.07986	11.2
160.05186	7.0
173.05994	7.4
175.07529	12.1
187.07576	14.0
189.09105	9.3
203.07039	9.2
217.08574	6.1
219.10141	7.0
286.71185	6.3
300.55017	7.3
435.17960	36.8
495.19122	5.9
538.95380	5.7
559.22864	7.6
619.25397	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06843	1.7
57.07069	19.8
62.18691	2.2
78.55582	2.1
78.72561	2.2
81.07047	2.5
82.11012	2.0
82.99144	2.3
85.06528	6.3
88.47083	2.2
91.05476	7.3
96.84492	2.1
109.06499	4.1
119.04914	2.8
121.06444	2.6
122.03635	4.7
123.54082	2.3
129.06953	4.0
131.04924	4.4
137.04893	4.8
137.05966	100.0
142.49712	2.3
143.08580	4.3
143.91138	2.3
145.06413	2.9
151.07562	6.8
159.07999	2.6
161.05914	3.1
163.07539	3.7
175.07536	4.7
187.07544	7.2
189.09058	7.5
199.07574	3.3
206.24654	2.5
233.09576	2.8
273.14828	3.2
285.08939	3.0
295.13354	6.9
325.12256	3.0
350.11542	3.0
379.19254	3.1
397.20084	41.7
422.20306	2.5
435.18079	17.2
495.20056	5.5
559.23718	11.2
619.25189	15.7
813.33276	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	820.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	29.5
62.39903	6.2
76.81113	6.0
78.52535	5.4
79.05473	5.1
85.06532	17.5
91.05476	18.1
95.04934	9.3
137.05968	100.0
149.06009	9.0
157.06503	8.7
161.05942	9.7
163.11165	6.3
169.06575	8.2
187.07536	8.1
194.99025	6.3
199.07550	8.9
233.09601	8.6
275.10864	6.4
338.38666	6.3
377.17404	43.6
379.18951	69.8
395.18555	35.7
397.19998	15.2
424.95663	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	820.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	35.9
65.57655	2.4
81.03397	2.6
81.07059	3.0
85.06528	10.5
86.48179	2.4
91.05454	18.3
95.04964	5.0
102.90741	2.6
103.05466	5.7
105.07040	3.6
107.00681	2.8
107.04936	5.4
119.04929	9.8
121.06493	5.2
121.66553	2.8
122.03653	4.1
123.04408	3.0
129.06984	7.3
131.04903	7.9
133.06483	3.5
135.04424	5.0
137.05959	100.0
138.06349	3.1
145.06458	4.8
145.10156	3.4
151.03877	6.6
151.07533	6.2
153.07021	3.8
157.06477	4.6
159.08054	4.3
161.05934	5.5
163.06281	3.7
163.07556	6.0
163.11211	4.6
167.06982	3.8
174.06747	3.9
175.07494	8.9
175.11090	5.8
181.06424	3.1
187.07474	7.0
189.09096	7.0
193.06503	3.5
205.08575	3.3
211.07608	3.9
213.09254	5.7
217.08641	5.0
218.07103	3.1
219.08121	4.1
219.10136	5.1
225.09042	4.9
229.08493	3.9
230.15514	3.4
241.08472	3.4
249.08966	5.4
259.13226	5.4
261.08957	3.4
268.04977	2.9
273.14764	4.5
276.99200	3.0
279.70532	3.4
293.11542	4.5
311.12741	6.6
349.18021	4.4
359.16061	4.0
377.17471	38.0
379.18970	64.6
381.20709	3.8
395.18527	32.7
397.15863	6.1
397.20166	7.9
642.39868	3.5
644.33148	3.1
742.29767	3.8
755.43500	3.0
765.71179	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	820.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	29.1
81.07082	4.7
83.05039	2.5
85.06535	13.6
86.42908	2.6
88.54009	2.1
91.05488	8.6
97.23283	2.3
103.05491	4.6
105.07047	4.5
107.04969	4.6
109.06533	5.1
119.04909	2.7
121.06544	4.9
122.03687	3.5
123.26749	2.5
129.07047	2.6
131.04901	14.4
132.27956	2.8
137.05974	100.0
145.06468	3.1
149.06015	5.4
151.03931	5.2
151.07597	11.9
161.05974	6.7
163.07590	6.3
171.08112	4.0
175.07570	5.5
185.09589	2.7
187.07607	11.8
189.09050	3.9
198.06807	2.9
199.07617	7.5
211.07619	3.4
211.61873	2.7
249.09048	3.1
255.13678	3.7
263.39426	2.7
265.08752	3.4
267.13837	4.0
273.14874	6.3
295.13196	12.9
297.11304	5.1
314.98962	3.5
335.12817	5.1
365.14005	4.8
379.19205	3.6
397.20023	51.0
409.19781	3.2
519.19965	9.8
554.78314	3.2
760.02368	3.1
839.84216	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	820.5781
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04282	5.8
60.04522	68.2
65.06770	4.7
67.05485	15.4
69.07039	7.9
70.06577	13.5
76.94398	5.7
81.07040	20.3
81.44366	6.1
91.68641	6.0
94.44882	6.7
95.08590	17.4
97.10197	6.5
109.10137	8.8
110.26143	5.8
131.21687	6.7
148.60919	6.6
167.91792	7.0
169.31151	6.0
214.20404	6.7
248.00998	6.7
300.29019	14.0
318.29990	100.0
701.91309	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	821.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27285	5.0
89.48175	6.1
176.08463	7.1
201.04095	6.6
214.18326	6.3
271.57300	6.4
302.11783	6.8
355.56339	7.2
356.11243	6.8
403.04150	8.2
433.19678	10.5
434.34003	7.1
821.35089	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	821.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19155	13.7
81.15914	17.0
157.75911	17.4
200.39519	21.7
210.73795	18.4
228.19353	19.3
261.36823	20.6
363.81195	22.0
772.07227	21.1
821.35321	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.406
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40277	3.1
67.05512	3.9
67.70414	2.6
79.05513	9.3
81.07078	4.8
82.35562	2.8
83.04964	21.6
83.08624	7.9
84.58867	2.6
91.05535	4.7
91.71095	6.9
93.07076	2.8
93.44603	2.9
103.05488	7.5
105.07041	3.6
107.04954	23.7
121.06514	6.1
131.04932	16.2
131.08586	5.6
135.04416	16.1
137.05971	93.8
148.08797	3.2
149.06050	11.4
151.07635	7.7
161.06084	6.8
163.07599	7.6
164.04582	3.4
167.07005	42.0
167.08287	4.2
175.07646	4.4
175.11266	3.5
187.07597	10.4
189.09186	7.3
201.09050	3.5
201.12747	7.2
205.12314	9.8
211.07646	3.7
232.65323	3.1
299.16394	4.4
323.16644	5.9
341.13986	5.0
341.17490	20.1
365.14102	3.5
366.18326	7.9
381.20538	100.0
381.25174	5.5
399.21710	5.1
448.14960	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	822.406
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40277	3.1
67.05512	3.9
67.70414	2.6
79.05513	9.3
81.07078	4.8
82.35562	2.8
83.04964	21.6
83.08624	7.9
84.58867	2.6
91.05535	4.7
91.71095	6.9
93.07076	2.8
93.44603	2.9
103.05488	7.5
105.07041	3.6
107.04954	23.7
121.06514	6.1
131.04932	16.2
131.08586	5.6
135.04416	16.1
137.05971	93.8
148.08797	3.2
149.06050	11.4
151.07635	7.7
161.06084	6.8
163.07599	7.6
164.04582	3.4
167.07005	42.0
167.08287	4.2
175.07646	4.4
175.11266	3.5
187.07597	10.4
189.09186	7.3
201.09050	3.5
201.12747	7.2
205.12314	9.8
211.07646	3.7
232.65323	3.1
299.16394	4.4
323.16644	5.9
341.13986	5.0
341.17490	20.1
365.14102	3.5
366.18326	7.9
381.20538	100.0
381.25174	5.5
399.21710	5.1
448.14960	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	823.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
65.72844	7.5
136.32736	10.9
137.05969	13.6
154.35933	9.4
198.73880	10.5
223.80243	9.2
252.72968	9.5
270.08719	11.3
302.05893	10.1
311.43994	11.2
400.95831	11.3
410.13068	15.9
823.36621	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
62.11193	7.4
94.84569	8.9
177.92856	10.7
250.82480	12.3
515.77643	13.0
597.71729	10.6
717.38672	11.5
772.00903	11.5
823.36389	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86716	7.9
62.08089	7.9
62.78283	9.4
63.41951	9.0
66.70288	8.8
90.77556	9.6
93.74625	9.6
97.19587	11.1
111.10997	9.1
137.05956	11.4
191.34114	10.6
194.47728	10.9
202.14130	10.9
204.04361	12.4
306.55588	12.5
334.84070	12.7
410.13431	16.9
823.36511	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70545	5.5
71.34126	5.3
77.23465	5.7
80.24669	6.4
88.42784	6.6
93.51774	5.3
96.89980	7.4
99.08334	5.7
205.01978	7.4
221.45879	8.3
243.89670	7.5
341.89139	7.5
477.02844	8.0
599.42676	18.8
756.34314	8.0
823.49567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
62.94415	10.6
67.05492	100.0
68.24876	10.6
69.03401	11.5
69.07032	24.1
79.05489	56.2
80.28820	11.6
81.07053	99.5
83.08611	18.7
90.71363	12.0
91.05475	50.3
93.07014	70.1
95.04974	23.8
95.08609	64.9
97.10188	14.4
105.07024	31.3
107.08586	39.2
107.35957	12.9
109.10152	36.4
110.21882	11.4
119.08601	31.9
121.10136	31.1
124.20119	14.7
133.10098	19.2
135.11746	23.1
140.01488	14.6
145.10121	22.3
147.11696	16.7
203.32166	14.4
243.95770	13.4
254.11346	15.1
269.17603	21.8
275.19943	17.2
281.37265	14.7
335.25790	46.0
529.39026	16.4
588.22327	18.3
618.13049	14.3
756.36548	16.4
760.34448	14.9
771.77325	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95205	3.1
60.33204	2.7
64.58147	3.3
65.03922	4.1
67.05495	100.0
69.03413	9.9
69.07062	30.6
71.04990	5.2
72.61778	3.1
79.05484	43.1
79.07816	3.3
81.03413	8.9
81.07047	100.0
83.04973	12.8
83.08609	13.4
91.05458	42.2
91.71006	7.8
93.07033	68.6
95.04968	15.4
95.08598	61.8
95.09159	5.5
97.02888	4.0
97.06528	9.8
105.07035	33.4
107.04946	5.4
107.08575	42.4
109.06492	6.0
109.10133	20.2
111.08131	4.6
117.07021	11.3
119.08583	23.7
121.10135	24.5
123.11697	9.8
131.08578	20.9
133.10139	23.7
135.11682	20.6
138.34619	3.9
143.08582	5.4
145.10107	14.3
145.88310	3.9
147.11642	9.3
149.09726	9.1
149.13274	10.4
159.11693	12.7
163.11226	5.3
165.37488	3.9
171.11716	5.0
202.13680	3.9
261.22214	5.0
264.24689	4.2
269.17441	15.9
275.20081	16.8
289.04288	4.1
307.40182	4.5
335.25763	50.4
349.23697	13.4
515.37415	6.1
529.38702	30.5
569.41687	7.4
609.45050	4.5
719.46655	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	824.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	5.9
65.03941	5.6
67.05496	100.0
69.07071	34.1
75.63988	4.9
77.80036	5.5
79.05496	57.3
81.07047	78.3
83.08633	17.5
85.36128	5.8
88.23013	6.1
91.05461	71.4
93.07039	96.0
95.05003	10.4
95.08598	63.3
95.99970	6.8
97.06512	6.3
97.10167	10.0
98.29026	5.3
105.07030	93.1
107.08579	38.6
109.10183	20.7
117.07005	44.8
119.08578	66.5
121.10184	28.9
123.11716	7.1
129.07050	24.5
131.08539	43.7
133.10078	32.6
135.08173	8.5
135.11772	18.0
141.07048	9.0
143.08597	25.6
145.10098	39.0
147.11732	29.8
149.13283	10.4
155.08624	17.1
157.10184	22.1
159.11691	35.4
161.13354	15.4
167.08560	9.9
169.10161	13.3
171.11705	15.6
173.13312	11.2
183.11771	17.8
185.13257	21.2
187.14835	7.2
195.11761	13.0
197.13341	17.9
199.14940	8.5
209.13297	8.8
211.14931	8.5
239.17889	9.8
240.79099	6.2
259.20743	7.8
422.77917	6.7
609.45068	86.6
724.45361	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	824.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90639	7.7
63.31728	9.9
67.05495	70.7
69.07063	15.8
75.32997	8.5
79.05475	35.4
81.07050	100.0
83.08612	10.1
91.05475	28.4
93.07037	44.1
95.08598	34.0
104.09994	8.7
105.07043	31.9
107.08611	22.8
109.06512	20.7
109.10154	16.7
119.08536	22.9
120.88712	10.1
121.10144	24.8
133.10161	20.5
135.11707	11.0
144.67505	11.2
148.71056	9.8
149.13245	9.9
161.13312	11.7
230.90599	10.4
275.20200	35.4
335.25793	76.8
349.23959	18.2
367.24719	28.4
405.74457	12.5
609.44708	24.3
627.46075	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	825.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
89.95876	5.3
112.18214	5.7
137.06020	7.1
144.46194	6.8
159.04121	8.2
312.58575	8.7
384.45813	7.3
397.16632	7.7
825.34479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
83.64529	7.6
103.09929	10.0
119.46448	7.9
120.24831	9.9
120.60713	8.5
120.91833	8.9
137.06010	18.1
140.89265	8.4
144.21338	10.1
203.49849	9.7
241.88774	10.2
617.47632	10.2
825.34509	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	100.0
68.82566	5.8
69.07042	9.2
71.08604	18.9
81.07041	20.2
83.08606	15.7
84.53983	5.9
85.02885	16.7
85.10162	7.1
90.68822	5.7
93.53621	7.2
95.08591	18.3
97.02850	12.1
97.10189	8.2
103.30519	7.5
109.10160	66.2
117.22777	6.6
121.72178	5.7
148.72098	7.1
156.39075	7.1
156.72186	6.5
173.11690	12.9
183.71382	6.0
229.14301	84.7
276.77811	7.6
306.92569	6.9
313.27258	60.5
338.84775	8.3
467.37042	42.8
579.96802	8.5
714.33667	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	827.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48708	8.0
63.51909	7.1
67.05479	12.4
69.03401	12.4
70.06055	9.5
70.21572	9.5
79.05450	10.6
81.07039	25.0
90.75684	11.9
91.05476	16.1
93.07043	15.2
95.08578	18.2
97.02876	12.2
179.14275	10.6
389.43155	12.3
420.34106	11.6
535.28522	17.2
550.17523	16.7
555.45306	13.2
827.48792	100.0
828.47809	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	827.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	22.7
73.02937	9.6
75.77771	8.9
78.10253	8.8
79.05516	12.5
81.07071	12.1
81.80228	9.4
83.08625	8.7
93.07076	13.1
95.08627	10.6
113.70556	7.8
119.15411	9.5
133.30150	9.4
449.74100	9.3
519.28961	12.8
626.30316	9.2
667.10101	10.0
827.49097	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	100.0
69.07047	23.6
71.04964	12.5
79.05466	59.9
81.03386	11.0
81.07045	85.3
83.04925	7.5
83.08604	18.4
91.05480	45.6
93.07038	93.3
95.04964	15.9
95.08596	34.3
97.06516	9.3
105.07034	31.8
107.08585	36.2
109.10150	21.4
117.07030	14.7
119.08607	29.0
121.10131	38.4
129.06990	8.0
131.08517	18.5
133.10153	25.9
135.11700	22.5
145.10104	12.0
147.11678	11.7
173.13295	8.0
229.14359	14.2
262.04953	8.3
307.22638	70.1
413.21414	14.1
482.75510	8.7
501.35654	47.2
551.25482	9.6
581.41986	22.6
666.56311	8.7
674.50537	9.6
733.35590	9.3
783.55469	9.3
825.16986	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	828.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	100.0
67.05817	6.6
69.03429	9.4
69.07062	17.7
71.04981	8.2
79.05495	50.0
80.72518	7.5
81.03461	6.8
81.07047	93.8
83.08648	14.5
91.05460	36.7
93.07043	73.3
95.04983	9.9
95.08640	30.6
97.06531	14.5
102.07339	7.6
105.07058	27.8
107.08640	35.9
109.10120	37.9
117.07070	13.1
119.08597	11.1
121.10200	27.8
131.08594	15.6
133.10159	17.6
135.11769	15.7
145.10104	7.7
149.13304	10.2
159.11803	19.0
229.14404	16.7
275.20209	10.0
307.22723	59.8
341.68817	9.0
349.23999	14.3
359.47003	8.6
461.32712	10.9
501.35352	37.5
504.47827	10.3
528.49811	9.0
581.42517	12.1
727.64288	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	828.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
66.13211	2.9
67.05493	55.0
69.03416	5.6
69.07050	30.9
71.04974	17.0
79.05489	45.2
81.03372	4.5
81.07051	100.0
83.04971	6.5
83.08618	7.3
85.02890	4.6
91.05478	38.2
91.71072	5.2
93.07038	63.9
95.04967	6.4
95.08594	39.1
97.02879	3.3
97.06525	15.5
99.08096	4.2
105.07024	30.8
107.04945	8.0
107.08598	34.9
109.06529	7.1
109.10154	15.2
117.07011	9.2
119.08604	18.6
121.06551	4.0
121.10148	29.9
123.08089	6.1
123.11677	4.5
127.07547	5.5
129.06995	4.8
131.08554	17.1
133.10138	13.2
135.08072	6.2
135.11714	9.7
143.08606	4.2
145.08534	5.7
145.10139	13.0
147.11719	7.0
149.09671	13.4
159.11742	7.8
169.10117	3.4
173.13274	4.8
199.09624	6.7
201.11220	19.3
201.16339	3.1
206.70529	3.7
229.15875	6.0
241.14310	4.7
247.16748	7.9
261.22226	6.1
321.20663	9.3
333.06857	4.5
335.25784	37.5
369.06317	3.6
385.18652	6.9
409.31323	4.8
449.93686	3.6
461.32458	6.9
501.35791	44.7
581.42059	7.4
645.39130	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	828.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33682	11.0
60.53419	10.1
60.68777	8.9
67.05486	76.7
69.07064	33.4
71.04984	27.5
75.59364	10.2
79.05492	72.2
81.03423	15.7
81.07068	68.7
83.08599	13.8
88.13793	15.1
88.26427	11.8
91.05479	57.9
93.07030	100.0
95.08601	61.9
95.99809	10.8
97.06532	29.9
98.95616	10.6
105.07008	28.9
107.08589	43.3
109.10168	18.5
110.22014	11.2
117.07066	18.0
119.08561	35.0
121.10143	65.1
131.08589	46.7
133.10121	19.2
135.11714	16.5
138.43143	13.2
145.10139	22.4
149.09660	25.8
160.13130	10.3
192.69920	11.4
222.54578	12.5
265.18030	15.6
273.68561	13.8
321.20654	14.8
326.11295	13.0
326.84616	13.5
335.25787	42.3
439.86459	15.0
501.35629	79.3
581.41693	15.5
828.49719	24.1
836.02502	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5683
Annotation	Unknow
Peak:m/z	Relative Intensity
74.46914	0.8
91.05476	3.3
93.07035	5.6
95.04972	1.6
103.05444	2.9
121.06496	100.0
122.06842	1.2
166.12260	82.1
189.13058	0.9
198.09964	0.9
266.07141	0.9
288.60962	1.0
455.19638	0.9
460.51367	0.8
526.05426	0.9
599.98773	1.0
827.48370	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99181	0.9
65.17746	0.8
73.63015	1.0
73.68353	1.1
81.97926	1.1
93.03381	1.5
95.04957	3.8
111.04369	1.6
119.04956	4.2
123.04418	60.7
137.05984	4.8
139.03891	100.0
143.04955	1.6
147.04396	15.8
151.03922	3.0
153.05508	1.1
161.05940	4.8
165.05457	12.8
169.04924	1.4
175.07448	1.5
179.06999	2.3
187.07495	2.1
189.05531	1.4
207.06483	7.1
273.07596	1.8
291.08603	34.1
323.12915	1.9
341.13739	3.3
469.52246	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
62.56774	4.2
69.23293	3.6
72.92760	5.2
74.95198	4.2
79.05466	5.7
84.70189	5.3
85.06551	7.8
91.05487	24.1
93.07030	6.6
103.40426	4.7
107.04944	5.2
108.29724	4.5
117.07021	7.4
119.04961	12.3
121.06508	5.9
121.10194	7.5
122.03654	7.9
123.23206	5.1
131.04939	7.5
133.06546	7.0
137.05992	100.0
151.03857	7.0
163.07495	6.4
163.11150	6.1
163.63521	5.4
175.11191	6.2
187.07503	6.6
199.07484	5.2
213.09123	8.9
225.09132	5.2
273.11194	9.3
273.29117	4.6
290.79178	5.7
337.17841	5.4
361.18170	6.0
379.14572	9.1
379.19034	98.0
397.16034	27.2
755.33612	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	829.379
Annotation	Unknow
Peak:m/z	Relative Intensity
67.75606	6.3
81.07047	15.7
85.06541	14.0
87.28915	7.2
91.05470	11.1
95.71627	7.9
96.33263	5.5
103.05469	10.1
105.89940	6.2
117.41705	6.9
119.04906	7.9
122.03683	8.4
126.20264	7.8
130.87019	7.1
137.05980	100.0
187.07527	46.1
189.09135	10.1
217.08603	13.6
226.48421	7.0
238.06352	7.0
292.07269	7.9
299.86426	8.8
347.12683	8.2
369.20496	9.1
381.20468	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54210	1.3
70.05687	1.4
72.03664	1.3
72.09119	1.3
77.92310	1.4
79.05496	3.0
81.07033	11.2
85.06533	14.6
90.71303	1.5
91.05477	9.5
91.98500	1.6
94.04187	3.1
95.04989	2.8
96.76180	1.4
105.07050	2.3
105.71752	1.4
107.04998	1.4
109.06508	9.3
119.04916	8.7
121.06477	3.2
122.03658	5.1
129.07037	3.3
131.04948	2.8
131.08566	5.4
137.05975	100.0
145.13063	1.6
149.05992	2.0
151.07549	12.5
153.05542	2.0
157.06520	3.1
157.47041	1.5
159.08032	2.0
169.06581	1.8
171.08221	1.9
173.09814	1.6
174.06812	1.9
175.07549	2.3
175.11128	1.8
177.05505	2.2
181.06519	2.5
187.07529	12.6
189.09126	8.8
201.09126	2.3
213.09105	4.2
215.10776	1.8
215.65681	1.6
217.08636	4.4
219.10126	2.7
225.09024	1.6
229.08621	2.7
231.08171	2.1
232.94330	1.8
241.08755	1.9
243.13777	2.6
253.12343	4.4
263.10843	1.8
289.08774	2.7
291.10059	2.7
297.14893	8.8
321.11215	3.0
323.12906	4.8
347.12744	4.4
381.20581	88.2
382.20929	1.8
501.19077	5.7
561.21063	4.8
756.36780	2.2
770.53284	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	829.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
62.90961	22.4
65.11706	17.0
66.04196	17.8
66.45837	19.2
67.05468	20.6
68.45822	17.1
74.18177	18.8
85.48647	21.3
104.29667	23.0
118.45149	24.6
129.33310	25.0
143.16293	24.1
165.08478	28.2
188.97586	30.4
196.20493	23.6
247.42136	23.7
311.63843	27.6
375.59753	23.4
602.13428	25.9
628.37366	24.2
636.34705	28.6
676.53638	25.8
720.89380	27.3
803.11420	26.4
829.48022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67669	3.8
61.02931	9.2
61.69616	4.2
65.32972	4.2
67.05509	16.7
67.58479	4.5
69.03434	8.1
73.02923	6.6
74.99614	4.5
79.05519	4.7
81.07069	21.7
85.02916	12.0
87.50725	4.4
91.03955	8.8
91.05490	10.3
93.07071	14.6
95.08604	7.1
97.02899	8.2
104.05161	4.7
105.07082	5.0
107.83337	4.6
115.80161	4.6
119.08629	4.8
121.10145	5.3
124.43768	4.3
131.87318	4.5
139.92397	5.5
150.31433	4.5
259.98721	5.6
519.29272	11.7
550.94574	5.8
818.46167	6.1
829.50641	100.0
852.23273	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	829.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
62.03683	14.9
67.05491	17.2
74.51127	14.8
76.95592	16.8
122.39308	19.1
147.68666	19.5
150.13484	21.7
153.38948	26.2
170.48372	18.7
220.50928	23.6
382.17453	21.7
491.22186	22.9
541.75665	23.4
641.88214	23.1
791.01208	23.4
829.50854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10540	4.3
61.02908	5.2
63.15253	4.9
67.05487	14.6
69.03422	7.8
73.02911	6.5
76.04340	5.3
81.07033	12.5
81.08884	6.1
85.02870	11.2
91.71702	6.4
93.07027	10.6
95.08613	11.8
97.02880	8.7
207.17892	6.4
212.43159	7.4
257.28766	6.8
289.85739	6.5
714.28278	7.9
829.50665	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78024	1.5
61.02909	7.8
67.05495	15.6
69.03419	8.5
69.07050	6.8
71.04996	3.1
73.02918	4.8
79.05486	14.3
81.03429	2.7
81.07047	14.9
83.04972	2.7
83.08610	2.7
85.02913	10.7
90.76937	1.8
91.03953	4.5
91.05483	13.1
93.07037	19.2
93.70580	1.7
95.04986	2.3
95.08619	7.6
97.02881	5.4
101.02369	5.0
105.07031	9.0
107.08582	10.5
109.10139	2.0
117.07027	4.0
119.08597	8.4
121.10173	6.9
131.08583	5.6
133.10165	7.4
135.08064	2.0
135.11726	3.4
147.11740	4.0
159.11667	2.6
169.12373	1.8
190.80954	1.9
229.15881	2.1
243.08472	3.5
246.65816	2.4
301.09073	2.6
317.20731	2.8
430.81500	2.1
465.21292	3.0
501.35782	4.3
502.35986	3.8
535.28735	14.4
687.85913	2.4
829.50641	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
62.66637	3.6
64.08712	4.0
70.02776	4.1
80.38786	4.1
81.07066	13.4
85.06557	10.3
91.05480	4.9
91.71583	4.8
109.06543	12.7
119.04958	5.0
121.06565	5.1
129.06987	4.6
131.08586	5.0
135.13004	4.2
137.05965	82.6
137.06909	5.5
137.37819	4.5
150.44373	4.3
151.07593	13.1
153.05597	6.0
161.05951	7.3
189.09184	6.6
198.06764	5.0
213.09117	5.0
226.09891	5.8
238.31071	5.2
243.10168	9.8
276.38144	4.7
278.00452	4.7
297.15002	10.0
381.20557	100.0
397.16260	40.8
642.11859	5.5
732.02539	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	831.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05489	3.5
79.15211	3.2
81.07050	4.1
91.05468	11.0
93.07024	7.6
107.56131	3.2
109.06510	5.1
119.04953	4.4
122.03655	5.4
124.80409	3.2
131.04921	4.3
137.05977	100.0
137.09587	5.2
147.64926	3.2
151.23767	3.3
161.05989	5.8
187.07558	10.9
271.78821	3.7
291.10202	4.4
293.15561	4.5
313.39789	4.0
330.46237	3.3
347.12814	4.8
352.41302	3.7
365.21146	22.1
365.78848	3.7
395.22501	5.6
413.22958	5.8
466.18707	3.9
501.18692	4.9
561.20844	4.9
627.68201	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	831.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
72.46561	2.8
79.05521	3.3
85.06516	6.7
91.05478	12.2
91.70968	2.8
93.07028	6.9
95.04941	4.7
103.05445	2.8
109.06567	3.0
122.03617	4.4
131.04955	7.1
131.08635	3.9
137.05969	100.0
137.09586	3.3
151.03931	3.3
151.07588	3.7
167.07072	3.1
187.07515	3.2
187.11281	4.6
215.14299	4.0
229.15909	3.6
241.15985	4.3
247.16913	4.1
301.56125	3.2
315.10367	3.0
341.72430	3.3
347.12711	5.7
365.13861	5.7
365.21054	46.0
395.14697	3.7
395.22418	6.7
501.18872	10.8
561.21393	4.4
632.06409	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	831.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32766	6.1
61.02910	9.0
67.05478	15.5
81.07017	19.9
85.02877	9.5
85.55968	7.7
95.08607	11.5
105.71066	8.7
109.10123	8.2
123.30568	8.4
140.82108	7.7
149.93961	8.7
154.32019	8.6
169.28029	8.7
465.84680	8.6
783.97021	9.9
831.52179	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5226
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21910	6.8
61.02924	11.0
63.97125	7.3
67.05490	12.8
69.03414	9.1
71.41441	8.0
81.07045	15.4
88.47680	8.0
91.03947	11.4
93.07005	13.9
95.08600	16.7
98.29382	8.4
101.82948	9.5
103.32678	9.4
155.99602	8.7
221.21123	9.2
272.19910	9.8
335.22070	12.0
456.53827	10.9
556.81958	10.7
690.46124	11.8
831.51886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06128	1.8
66.61176	1.7
74.37479	2.0
76.72211	1.9
79.05474	2.3
81.07030	4.3
81.25102	2.2
83.04971	2.8
85.06545	16.2
91.05494	10.0
92.28340	2.0
93.50287	2.3
94.04155	2.1
95.04932	3.0
103.05480	8.5
105.07042	3.5
107.04935	6.0
109.06500	4.8
109.83110	2.0
119.04956	6.0
121.06504	4.3
122.03648	3.8
128.06253	2.3
131.04910	14.2
133.06537	2.7
137.05971	100.0
143.08585	3.5
145.06552	3.9
147.04459	4.2
147.08055	3.1
149.05939	4.2
151.03900	31.4
151.07510	11.9
153.05476	4.7
161.06020	6.5
163.07549	9.0
164.54773	2.1
165.05376	2.6
167.07076	6.4
171.08109	5.8
173.05945	3.3
175.07478	6.1
177.05489	6.4
179.07082	4.5
181.04942	9.4
187.07619	6.0
189.09071	3.3
191.07018	30.0
199.07539	6.3
209.08113	3.0
215.10425	2.3
229.08627	3.9
255.13985	2.5
263.09250	3.5
265.08759	2.9
267.13849	6.2
273.14844	5.9
295.13248	19.1
297.11130	3.8
324.88690	2.2
354.34564	2.2
355.11832	2.4
379.19205	3.1
387.14355	13.3
397.20029	71.8
831.33679	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06128	1.8
66.61176	1.7
74.37479	2.0
76.72211	1.9
79.05474	2.3
81.07030	4.3
81.25102	2.2
83.04971	2.8
85.06545	16.2
91.05494	10.0
92.28340	2.0
93.50287	2.3
94.04155	2.1
95.04932	3.0
103.05480	8.5
105.07042	3.5
107.04935	6.0
109.06500	4.8
109.83110	2.0
119.04956	6.0
121.06504	4.3
122.03648	3.8
128.06253	2.3
131.04910	14.2
133.06537	2.7
137.05971	100.0
143.08585	3.5
145.06552	3.9
147.04459	4.2
147.08055	3.1
149.05939	4.2
151.03900	31.4
151.07510	11.9
153.05476	4.7
161.06020	6.5
163.07549	9.0
164.54773	2.1
165.05376	2.6
167.07076	6.4
171.08109	5.8
173.05945	3.3
175.07478	6.1
177.05489	6.4
179.07082	4.5
181.04942	9.4
187.07619	6.0
189.09071	3.3
191.07018	30.0
199.07539	6.3
209.08113	3.0
215.10425	2.3
229.08627	3.9
255.13985	2.5
263.09250	3.5
265.08759	2.9
267.13849	6.2
273.14844	5.9
295.13248	19.1
297.11130	3.8
324.88690	2.2
354.34564	2.2
355.11832	2.4
379.19205	3.1
387.14355	13.3
397.20029	71.8
831.33679	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38591	1.8
69.03448	2.3
79.05520	3.2
81.07055	4.4
85.06532	21.0
91.05510	7.9
95.04984	3.9
96.24378	1.9
103.05470	4.1
105.07037	2.8
107.04996	3.3
109.06547	4.7
109.21307	1.8
117.68221	2.3
119.04966	6.4
121.06577	4.0
122.03667	4.1
131.04985	7.4
137.05975	100.0
138.06342	3.8
142.04939	2.1
143.08615	7.1
145.06493	4.0
149.05963	2.3
151.03926	8.0
151.07500	17.7
161.06017	4.5
163.07545	5.4
163.47409	2.2
167.04845	2.2
167.07042	2.2
171.08031	3.8
177.05537	5.1
187.07649	6.9
189.09103	4.9
191.07092	9.6
197.06020	2.3
199.07619	6.4
213.09166	2.8
229.08652	3.2
235.11223	3.0
243.13969	2.6
247.13486	3.5
255.13921	2.3
259.13324	2.1
261.14859	3.2
263.10678	3.5
267.13931	4.0
273.14899	6.6
277.12033	2.1
279.10007	2.3
279.57788	2.1
295.13382	17.0
297.11243	5.0
313.14313	2.9
326.02890	2.1
341.13788	2.9
351.19724	2.5
379.19116	5.5
397.20084	84.7
663.75177	2.6
684.70630	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	832.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
73.57320	2.7
77.18879	2.3
81.07056	3.7
83.04992	2.8
85.06528	16.5
91.05499	6.4
93.64639	2.6
95.04971	6.2
103.05499	11.7
105.07046	3.4
107.04978	5.1
109.03023	2.5
109.06548	3.6
117.07068	3.6
119.04984	6.9
121.06533	5.6
122.03702	4.6
131.04948	12.9
137.05966	100.0
139.03897	2.9
143.08556	5.8
145.02840	2.8
145.06514	4.1
148.05171	3.6
151.03915	38.3
151.05060	3.5
151.07529	15.0
153.05550	4.3
163.07558	11.8
167.07086	6.0
171.08066	4.3
175.07588	6.3
177.05466	5.9
179.07054	5.0
181.05011	5.8
187.07651	7.1
189.09142	6.6
191.07002	37.7
199.07607	6.6
205.08696	3.3
217.08620	3.8
229.08701	3.5
263.09201	7.2
267.13846	4.0
273.14880	9.0
279.10165	3.2
295.13342	17.0
297.11377	8.9
334.04187	2.8
358.00674	3.0
379.19086	5.8
387.14499	16.6
397.20044	83.5
504.61716	3.0
761.09747	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
60.47982	2.0
77.13244	2.0
77.20325	2.3
79.05502	3.0
81.07059	6.5
83.05002	7.0
83.08633	7.8
84.56943	2.1
85.06532	18.8
91.05495	5.5
91.94565	2.1
93.07037	3.0
95.05006	4.5
105.07066	4.1
109.06570	2.2
119.04980	4.4
121.06589	2.9
121.36977	2.2
122.03659	4.2
129.07022	5.5
131.04930	4.4
131.08592	4.1
133.02908	6.5
137.05972	100.0
137.09637	5.4
141.07068	3.5
149.06065	3.2
151.07568	6.3
152.51823	2.5
157.06560	3.0
159.08186	3.1
161.06042	5.5
162.06796	3.2
179.45039	2.5
187.07608	5.3
189.09209	7.1
213.09229	2.7
225.09030	3.6
243.10226	8.7
247.17091	4.6
273.11346	4.6
299.16473	5.0
310.25375	2.8
319.09341	2.9
365.21411	2.9
367.15359	13.6
379.15338	4.1
383.22119	75.9
384.22427	3.6
395.22217	7.4
397.16422	31.6
626.40588	2.9
836.60352	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53563	2.0
69.03421	2.0
79.55982	2.0
81.07024	3.3
82.57265	2.5
83.08181	2.8
83.08633	10.0
85.06529	25.6
91.05472	6.3
104.91990	2.1
105.31368	2.1
107.04980	2.6
109.06527	3.7
116.28325	2.1
119.04916	3.2
119.08640	2.7
119.72381	2.3
122.03664	3.0
129.07030	5.3
131.04973	3.7
131.08589	4.8
133.02829	2.4
137.05966	100.0
142.13997	2.6
151.07564	2.3
153.05461	3.5
157.06561	3.8
157.10109	2.6
161.09668	2.5
177.12769	2.9
187.07503	3.1
189.09143	7.5
199.07745	2.4
205.43912	2.6
213.09207	4.4
225.09093	4.2
225.46231	2.5
229.08572	2.9
233.15387	6.2
243.10167	5.0
246.16130	2.6
247.16884	4.8
263.83405	2.2
269.69662	2.5
271.20337	2.4
273.11237	2.5
281.15274	2.8
299.16431	5.8
343.90369	2.4
346.50684	2.3
365.21475	2.8
367.15482	6.5
379.15463	3.4
383.22141	95.4
395.22165	4.5
397.16498	25.9
662.34161	3.2
691.95013	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70912	0.8
65.03928	1.4
67.05481	2.7
72.43096	0.9
79.05492	2.5
81.07041	5.2
85.06535	5.5
91.05473	11.7
93.07035	12.0
94.04171	2.1
95.04946	5.6
95.08588	2.2
103.05460	1.7
104.83264	1.1
105.07015	3.7
107.04939	3.0
109.06490	3.2
116.63516	1.0
117.06967	2.7
117.27441	1.1
119.04922	4.7
121.06540	2.1
122.03652	5.7
128.06206	2.0
129.06999	3.5
131.04912	4.3
131.08574	3.7
133.02863	6.7
133.06494	2.0
135.04390	1.2
137.05971	100.0
137.09607	3.7
138.06290	1.2
141.06923	2.3
142.45334	1.2
143.08554	1.9
145.06500	2.9
145.10149	2.1
147.04379	2.6
149.05960	5.2
151.07536	5.3
151.11172	1.8
155.08537	2.1
157.10101	2.2
158.07132	1.2
159.08029	2.9
161.05977	3.9
163.07550	1.9
167.07045	1.8
167.08473	1.4
171.08084	2.0
173.09613	1.8
174.06732	1.1
175.07529	1.6
177.05455	1.5
183.08139	1.3
185.09662	2.6
187.07550	4.7
187.11183	4.8
189.08972	2.2
191.07008	1.7
195.08115	1.3
197.09726	1.8
198.06796	1.5
201.09097	2.5
213.09117	3.5
213.13074	1.1
215.10654	2.8
215.14340	1.3
219.10136	2.6
225.09166	1.8
227.10767	1.6
229.15924	3.2
241.15826	3.1
243.10101	5.4
245.15456	1.7
247.17023	2.2
255.10080	1.4
263.10703	1.1
265.12393	1.6
273.11261	5.1
291.10229	1.7
297.10895	1.4
365.21091	21.3
367.15375	11.4
377.20856	5.7
379.15442	3.1
383.22009	2.7
395.22150	9.7
396.22131	1.4
397.16373	24.6
413.23254	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	832.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35426	2.0
62.43957	2.2
67.05533	2.4
67.34109	2.1
74.00494	2.1
81.03432	10.7
81.07057	2.9
91.05485	3.3
91.85144	2.4
104.10785	2.6
115.59023	2.5
121.80125	2.7
128.27541	2.5
136.06187	100.0
138.46671	2.5
144.06042	2.4
156.72893	2.5
191.71104	3.3
216.67879	2.6
291.90417	2.5
293.64276	2.5
297.08972	2.6
778.85510	3.2
832.48248	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	833.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92708	17.3
61.02922	22.3
67.05482	49.0
76.48035	18.7
81.07072	56.9
91.05486	19.1
93.07010	23.2
95.08604	41.1
107.08598	25.4
121.10208	35.2
146.85602	19.3
147.04451	31.5
400.27054	26.4
758.07275	28.9
833.50079	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	15.1
67.05477	16.9
69.07040	7.3
70.88783	8.7
73.02918	10.8
79.05479	11.4
81.07034	22.8
83.31242	7.6
85.02897	13.2
89.61348	8.1
93.07050	10.0
95.08611	11.5
97.02923	10.4
103.29767	9.8
122.20200	8.5
175.18427	8.9
184.38358	9.3
203.54697	9.6
220.07838	9.1
242.67284	8.4
247.74696	9.0
329.96356	10.8
346.40765	9.2
566.15912	10.8
833.50079	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
60.30114	5.3
61.02908	8.8
67.05490	19.1
69.03431	5.4
69.07040	8.7
73.02898	9.1
79.05473	12.8
81.07041	15.5
85.02911	12.4
89.95285	5.8
91.03905	5.3
91.05481	8.1
93.07044	13.3
95.08593	14.7
97.02885	13.0
114.98476	5.4
121.10169	7.2
135.11746	5.9
159.57927	5.5
214.50484	5.6
218.23572	5.3
336.94302	6.6
491.25729	9.1
498.82239	7.7
655.15155	7.1
833.50220	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
60.02176	10.2
61.02910	13.6
64.05894	8.5
64.71311	9.5
65.11398	9.2
67.05501	21.1
75.60098	9.6
81.07066	14.3
85.02898	13.4
85.74402	10.6
90.90913	9.9
91.05515	12.6
95.08611	14.4
135.11763	14.2
184.07362	15.0
251.46960	13.0
264.23245	12.0
371.91843	15.3
491.26138	17.3
593.43140	13.0
634.23065	17.0
684.78766	14.6
833.50262	100.0
834.50684	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	833.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
74.95245	8.2
81.07024	13.0
85.02875	11.3
91.71019	19.8
95.08629	11.5
119.76251	10.7
194.04279	10.9
285.19150	12.0
833.53796	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	2.7
75.52017	2.2
81.03472	2.3
83.01365	2.7
92.26361	2.1
95.08621	5.1
96.38983	2.3
113.09696	3.4
124.65701	2.8
126.74163	2.5
138.94862	2.4
147.04411	3.1
147.08084	2.7
157.10112	4.4
221.13347	2.8
225.12555	3.5
227.14348	3.5
249.07625	6.4
253.12300	3.9
255.13748	4.4
281.11804	6.4
283.13309	3.9
299.12646	6.3
301.14618	4.4
302.86713	3.8
317.13788	3.9
319.15332	3.8
327.12277	4.4
345.13458	10.0
363.14587	4.8
409.14850	22.5
426.17557	100.0
427.15915	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	834.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20005	3.0
62.77021	3.0
63.93864	2.7
63.99093	2.5
73.05276	3.5
73.62535	2.9
79.05479	11.5
83.04978	12.1
83.08597	6.7
85.06511	3.7
85.64231	3.3
91.05476	3.9
95.04959	6.2
97.45433	3.3
102.83508	3.0
103.05476	4.1
107.04948	25.4
121.06499	7.7
131.04926	9.4
135.04408	22.1
135.08083	4.2
137.05974	74.5
141.06995	3.6
147.04456	4.2
147.08124	5.2
149.05959	12.7
151.03836	16.1
153.05435	7.3
160.02428	3.3
163.07553	8.3
167.07031	49.7
177.05502	6.4
189.09137	5.7
191.07043	17.2
191.10562	3.8
198.70671	4.1
201.12602	4.6
205.12291	11.3
310.97714	4.2
323.16266	6.8
341.17401	20.9
366.17963	5.2
381.20593	100.0
387.14160	7.3
399.21704	13.3
406.94574	4.7
430.98718	3.6
797.61365	3.8
828.48358	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	834.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	59.0
69.07050	13.0
71.00007	3.1
71.43225	3.2
72.29417	3.6
79.05488	24.1
81.07042	60.0
83.08605	11.2
86.09677	5.8
91.05479	27.4
91.71700	9.2
93.07054	31.6
95.08595	51.1
97.06526	7.2
105.07016	13.8
107.08630	18.3
109.10148	24.0
117.06992	5.4
119.04933	25.1
119.08549	5.0
121.10137	27.2
123.11702	6.8
131.08525	9.8
133.10136	10.8
135.11694	15.9
139.47031	4.0
145.10100	6.1
147.04404	100.0
147.23991	3.8
151.11200	4.6
173.13307	4.5
215.17876	5.6
291.21469	4.7
307.22562	4.7
314.27972	4.5
325.23660	40.9
398.68552	4.1
557.42438	7.3
575.43079	28.7
635.45020	10.4
736.81824	5.3
757.46484	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	834.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.8
67.05495	61.0
69.07049	11.5
72.49880	1.4
75.10307	1.5
79.05487	19.4
81.07048	52.4
83.08619	13.0
85.06512	2.0
89.70692	1.5
91.05469	24.8
91.71668	2.2
93.07034	32.8
95.04954	2.8
95.08595	49.6
96.95265	1.8
97.06525	5.5
97.10157	4.8
99.08122	2.1
102.54838	1.9
105.07006	11.1
107.08595	17.2
109.06550	1.4
109.10153	18.9
111.08083	5.0
114.20705	1.5
119.04942	20.0
119.08569	6.7
121.10136	18.0
123.11701	6.3
125.38031	1.7
131.08560	5.5
133.08575	1.7
133.10110	12.9
135.11723	10.2
137.13210	2.2
145.10106	5.3
147.04398	100.0
147.11678	3.8
149.13322	2.5
151.11223	3.0
159.11719	1.9
165.05489	3.5
215.18021	3.6
233.18950	3.2
251.19951	4.2
307.22650	6.7
310.17484	1.9
325.23676	27.9
367.24744	6.7
385.25980	3.1
393.67181	1.8
471.27621	8.3
524.83289	1.9
557.41754	7.1
575.42969	24.7
635.44849	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	835.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
67.84117	7.9
72.70535	7.7
73.04363	7.5
94.52052	8.6
104.57315	8.4
118.66338	8.2
137.05952	11.1
188.22046	10.7
241.54738	11.7
530.15082	9.7
656.41425	10.2
835.36102	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	3.7
69.32931	2.9
75.54823	3.2
79.05502	3.1
80.06836	3.1
80.23711	2.9
80.44501	3.3
84.19533	3.8
91.05468	12.7
94.04153	5.4
95.04929	4.4
97.52282	2.8
103.05449	23.9
107.04977	3.7
109.06451	3.0
115.05469	6.0
116.06242	4.0
119.04964	3.9
122.03681	9.0
128.06259	4.1
129.07008	12.3
131.04910	47.4
131.08595	8.2
137.05969	100.0
141.06998	5.4
143.04929	4.5
144.05721	8.2
145.06482	8.3
149.06049	7.1
151.03862	4.2
151.07487	5.1
153.05486	8.0
157.06502	8.5
158.07254	5.5
159.08047	10.5
160.05186	5.6
163.07607	7.0
171.08078	3.7
172.08855	5.3
173.06029	6.0
174.06784	5.3
175.07558	12.3
177.05487	5.6
187.07489	23.5
189.09137	8.4
201.09000	6.5
203.06935	5.5
219.08107	9.2
231.08134	5.7
232.08862	4.5
248.08391	5.4
261.09058	8.6
262.09924	4.1
265.08734	4.4
276.07620	4.2
277.08548	7.9
291.10135	11.1
293.11728	5.8
305.08228	6.5
306.12527	6.9
307.09659	6.7
309.11267	5.4
321.11316	12.0
322.12018	11.5
323.12939	6.3
337.10577	5.5
413.15753	4.1
433.16617	13.0
527.20782	6.2
539.20764	39.0
557.21417	6.1
599.22321	16.6
617.24170	7.6
635.24799	29.6
723.27808	4.4
779.39001	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	836.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
65.26837	3.3
67.52020	3.6
71.48824	5.0
80.14198	4.2
80.42856	3.9
89.18459	4.9
91.05478	7.5
101.52931	4.7
103.05443	25.7
109.27050	4.8
115.59975	4.7
122.03640	10.3
131.04901	60.5
137.05971	100.0
157.06487	6.0
163.07545	12.3
187.07541	9.7
189.09050	7.9
201.08992	10.7
243.11612	5.2
257.62018	4.6
261.09027	11.4
289.08734	7.3
291.10245	9.9
303.52231	5.1
340.12988	7.5
413.15802	5.6
433.16522	13.3
475.15695	5.8
482.63892	6.2
509.18808	5.9
527.20410	8.5
539.20709	32.5
557.21545	18.5
585.27539	5.5
599.22430	19.6
617.23798	16.3
635.24811	14.3
841.22308	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	836.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98573	1.6
63.38824	1.5
64.17976	1.6
65.03939	2.0
80.53355	1.8
85.56890	1.6
86.42252	2.0
91.05466	4.2
94.04189	3.6
98.27186	1.9
103.05462	2.5
107.04992	4.2
108.07220	1.7
109.06525	2.2
110.45091	1.8
117.07037	2.7
117.69966	1.9
119.04977	3.4
122.03664	7.8
123.04471	2.0
128.06268	2.6
129.07036	8.6
131.04990	6.5
131.08612	4.2
133.06471	2.5
135.04436	2.5
137.05963	100.0
144.05751	2.6
145.06512	3.4
147.04497	2.8
149.06030	3.1
151.03932	10.2
151.07549	4.2
157.06561	7.4
158.60120	2.0
159.08069	3.1
167.07080	2.8
174.06804	3.8
175.07555	6.0
177.73947	2.1
180.62810	1.7
185.06104	2.9
187.07484	14.6
189.09157	10.0
201.09149	4.7
203.20393	2.7
207.95128	2.4
217.08667	4.9
218.07271	2.2
219.10205	6.4
225.38202	1.9
228.57454	2.1
231.08131	2.6
249.09132	2.5
261.09039	2.8
261.11551	2.6
262.06631	2.1
263.10629	3.8
273.08975	2.3
277.08746	3.3
289.08670	2.5
291.10178	4.4
307.09659	4.0
321.11148	3.1
323.12701	2.1
341.13586	2.2
433.16315	3.3
495.18018	2.6
507.18265	4.0
509.19293	2.5
527.20795	4.3
539.20770	14.5
557.21899	7.3
599.22711	17.1
617.23962	6.0
635.24615	4.0
663.25928	6.1
723.27887	3.0
748.75745	2.5
777.73688	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	836.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58618	1.6
65.03930	1.4
67.05495	47.1
69.07061	18.5
71.04980	1.8
79.05491	13.6
81.06599	3.5
81.07048	53.7
83.04030	1.7
83.04965	1.8
83.08614	15.2
85.06528	1.8
91.05479	20.5
93.07038	21.2
95.08598	41.2
97.06523	5.5
97.10162	7.9
105.07047	12.6
107.08574	12.6
109.10155	20.1
111.08086	4.1
119.04943	16.7
119.08590	10.7
121.10148	15.6
123.11713	3.5
131.08565	6.0
133.10139	11.8
135.11700	12.9
137.13248	2.0
139.78975	1.8
142.57129	1.7
145.10133	2.3
147.04408	100.0
147.11676	3.3
148.04735	3.4
149.13217	3.9
215.17967	2.4
233.19066	2.6
235.20590	3.2
251.20140	2.1
280.81107	2.1
307.22678	4.7
309.24203	11.2
325.23801	16.6
327.25214	4.9
405.86819	2.2
559.43750	10.7
577.44336	13.5
587.04926	1.9
637.46124	2.1
723.48828	3.3
774.86627	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	836.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15245	0.9
65.03919	1.5
67.05495	44.3
69.07060	19.6
71.04963	1.4
79.05484	10.1
81.07047	42.7
83.08603	11.5
85.06530	3.0
91.05477	19.9
93.07026	18.9
94.05627	1.0
95.04945	1.6
95.08599	36.7
97.06540	3.2
97.10158	8.2
99.08099	1.3
105.07032	6.3
107.08575	13.6
109.10155	16.4
109.36347	1.0
111.08057	2.6
111.11714	1.4
117.05522	1.8
117.07010	1.6
119.04926	22.4
119.08585	4.9
121.10130	16.5
123.11713	5.5
127.20341	1.1
131.08549	2.1
133.10117	10.3
135.11655	11.6
137.09642	1.9
137.13223	2.1
139.11186	2.1
145.10143	1.2
147.04399	100.0
147.11674	3.8
148.04692	1.4
149.13277	2.9
151.11224	1.3
161.13277	1.7
165.05421	1.6
173.13287	1.4
215.17993	4.4
233.18983	2.5
235.20609	1.8
251.20195	1.9
253.21437	1.5
295.73978	1.2
307.22653	5.2
309.24124	11.2
325.23724	17.7
327.25232	4.5
367.25012	1.8
471.27499	1.8
559.43317	7.1
565.25122	1.6
577.44537	13.7
637.46539	4.1
723.47919	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	837.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46903	7.1
66.64213	8.9
82.33180	7.5
111.03308	8.0
118.15614	10.2
192.55284	10.7
229.45073	9.9
449.19604	15.0
589.33771	10.8
614.06940	10.3
758.42188	11.3
837.34192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
91.70953	3.2
95.10765	3.1
146.03435	4.2
167.80292	3.6
194.86929	3.4
197.77274	3.4
199.43741	3.1
236.55161	3.5
255.73558	3.5
274.96692	3.8
335.46951	3.7
381.51535	4.2
419.18158	3.8
449.18866	8.4
554.17822	4.2
564.47607	4.0
689.40015	4.8
723.53558	4.0
837.34821	100.0
838.35034	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	837.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66722	4.2
61.57272	4.2
73.25224	4.8
73.40495	4.6
86.01651	4.1
91.70944	8.6
195.99796	6.1
207.07732	5.5
223.49834	5.6
419.18240	6.0
433.19757	7.6
448.87689	7.2
449.19095	13.6
524.08246	7.9
698.17358	7.7
709.93671	6.8
837.34552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
89.24571	13.9
122.47137	13.7
135.49280	13.8
242.67422	17.4
272.28781	14.8
589.52405	21.2
837.34613	100.0
838.33582	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	837.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
62.09407	8.9
81.98940	10.0
105.66323	7.5
118.33432	8.1
124.32977	7.8
127.87746	8.9
152.91777	8.3
159.04155	9.4
194.05331	7.5
330.68372	9.4
627.94440	10.0
793.11182	11.4
837.38202	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
62.09407	8.9
81.98940	10.0
105.66323	7.5
118.33432	8.1
124.32977	7.8
127.87746	8.9
152.91777	8.3
159.04155	9.4
194.05331	7.5
330.68372	9.4
627.94440	10.0
793.11182	11.4
837.38202	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32642	3.5
66.09885	3.7
66.80827	3.5
67.28776	3.4
87.84859	3.8
91.71692	8.3
149.84906	4.9
187.03484	6.7
195.77579	4.6
353.36865	5.1
479.78012	4.9
494.31973	5.1
509.39630	15.9
673.44177	8.1
837.49121	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
73.85555	4.6
77.86802	5.0
91.71667	11.1
101.71400	5.1
140.21431	5.6
455.89615	7.1
509.39899	9.9
673.44287	14.8
837.48932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46645	7.1
65.41785	8.0
65.59369	7.0
68.76115	6.8
69.58894	7.7
71.20822	6.5
73.60290	7.7
83.69168	7.0
90.04616	7.3
99.47361	7.9
117.59055	7.9
139.66338	9.0
144.70715	8.9
148.57245	8.8
159.04192	15.8
234.93188	8.5
245.50983	8.8
323.11618	10.8
383.38110	9.7
754.53094	12.2
839.35571	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37797	3.1
65.91169	3.0
67.05510	19.9
69.07040	8.0
69.97520	4.0
73.30112	3.5
79.05502	5.0
80.48136	3.4
81.07048	17.7
91.05479	3.7
93.07040	12.7
95.08597	14.4
100.26048	3.4
107.08578	8.0
121.10155	7.1
147.04395	9.8
159.11670	4.6
164.51117	3.7
241.32617	4.5
271.56870	4.1
291.19370	9.8
317.31079	4.8
318.00369	4.1
347.22171	11.0
351.21439	13.0
368.96832	4.7
455.23370	5.1
839.33716	7.7
839.48853	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.491
Annotation	Pipalamycin
Peak:m/z	Relative Intensity
65.13196	4.2
67.05503	18.3
72.95589	4.5
79.05481	5.8
81.07063	21.2
91.05511	5.3
91.53642	5.0
93.07059	13.4
95.08610	7.7
103.68215	5.0
106.44657	5.7
106.84533	5.1
109.10168	8.1
116.42082	5.1
131.98135	6.4
167.15450	5.0
196.51265	5.3
216.14023	5.8
221.82307	5.6
291.19351	10.2
301.71432	6.3
351.21365	10.2
497.69131	7.2
546.77856	6.7
839.49017	100.0
840.48969	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	839.4922
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	12.3
69.07090	4.7
81.07050	15.7
93.07017	10.0
105.07017	5.1
107.08560	6.2
135.96928	5.0
144.05699	4.8
147.04445	9.2
182.58063	5.5
291.19440	10.0
425.28769	5.7
590.22144	5.8
615.41730	6.4
688.30005	6.7
777.31299	6.4
839.49042	100.0
840.48114	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	839.527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82393	6.2
59.94163	6.6
61.02909	6.4
67.05493	26.5
70.12168	7.7
73.02912	11.9
81.07066	19.6
82.48443	8.9
85.02867	14.1
91.03929	10.1
91.05465	23.4
93.07031	14.3
95.08609	19.4
97.02914	13.0
105.07026	10.0
110.67469	6.9
150.50127	7.9
194.63847	9.9
274.69681	9.7
664.49451	8.5
751.68726	9.0
757.23633	11.0
839.52435	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
67.11052	8.5
71.11190	9.2
71.31203	8.9
72.76389	10.1
74.52647	10.0
77.13331	10.9
82.97707	9.6
88.96998	9.1
116.43795	9.7
140.98741	10.8
165.99268	11.4
205.93105	10.8
486.68140	12.2
514.75671	12.2
553.10333	12.3
839.54651	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	100.0
65.99161	7.0
73.02880	6.4
79.97613	5.9
82.37890	7.2
89.06030	8.6
95.97937	6.4
103.07575	49.4
110.74530	6.5
114.07336	20.1
144.22972	6.0
147.10176	17.3
177.20497	8.5
228.45288	6.4
236.07414	7.4
239.09602	14.5
573.09814	7.4
592.94055	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	840.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92589	5.2
65.03943	6.8
67.05498	100.0
69.03417	18.8
69.07064	54.9
71.04984	18.6
76.84216	6.4
79.05477	54.6
79.44557	5.0
81.03399	15.5
81.07048	88.1
81.47385	4.7
83.04972	10.5
83.08620	12.8
85.02913	7.9
91.05471	41.3
93.07042	68.9
95.04958	17.1
95.08599	53.3
97.02859	12.1
97.06529	69.7
102.82010	6.9
105.07029	29.3
107.08611	32.6
109.06500	12.3
109.10167	25.7
111.04439	6.6
115.07565	19.6
117.07041	17.1
119.08582	18.5
121.10143	20.3
129.07043	6.2
129.43678	5.7
131.08588	9.4
133.10159	24.0
135.08127	10.6
135.11708	11.6
145.10104	14.7
149.13286	6.8
159.11652	12.7
184.96056	6.1
217.15900	8.0
247.98384	6.4
251.46097	6.9
269.17688	7.9
273.18439	15.1
291.19446	14.9
300.34613	7.1
326.40857	6.3
335.25720	45.6
396.99335	7.7
529.38416	12.7
625.44092	9.2
638.07715	6.9
840.49445	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	840.5452
Annotation	Unknow
Peak:m/z	Relative Intensity
63.12729	9.5
65.00163	9.5
67.05498	100.0
69.03438	23.1
69.07066	65.9
71.04987	23.4
72.01515	10.3
79.05503	50.7
79.20770	10.5
81.03412	14.4
81.07046	74.2
83.04994	15.1
91.05504	49.4
93.07031	66.5
95.05016	12.3
95.08633	49.8
97.06528	86.0
105.07048	20.9
107.08567	26.8
109.06562	16.6
115.07607	20.6
117.07069	14.3
119.08597	18.3
121.10201	33.0
131.08664	13.7
133.10246	13.8
137.44246	12.6
149.13367	15.8
184.07378	14.7
221.47981	12.8
236.18091	13.4
269.17484	16.2
287.19843	13.6
335.25986	38.9
347.22305	17.0
482.81082	16.6
696.21527	13.9
734.45563	13.8
756.35895	14.4
761.95410	14.1
807.23767	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	840.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	100.0
67.77389	10.2
69.07069	31.5
79.05507	38.7
81.07047	96.0
83.08643	18.5
91.05486	63.8
91.71016	27.1
93.07028	60.9
95.08646	47.8
105.07007	59.2
107.08620	46.2
109.10180	31.8
117.07069	27.0
119.07890	10.7
119.08627	50.4
119.84396	11.0
121.10209	21.8
129.06993	12.1
131.08626	35.2
133.10141	27.5
135.11690	24.5
145.10172	27.9
147.11723	18.5
149.13223	13.2
155.71062	12.9
159.11723	22.8
161.13348	13.0
169.10095	13.7
171.10347	13.5
259.20517	19.5
281.30939	14.1
333.24118	16.4
389.25882	13.6
513.02521	13.8
527.37329	22.3
763.80682	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	840.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	100.0
67.77389	10.2
69.07069	31.5
79.05507	38.7
81.07047	96.0
83.08643	18.5
91.05486	63.8
91.71016	27.1
93.07028	60.9
95.08646	47.8
105.07007	59.2
107.08620	46.2
109.10180	31.8
117.07069	27.0
119.07890	10.7
119.08627	50.4
119.84396	11.0
121.10209	21.8
129.06993	12.1
131.08626	35.2
133.10141	27.5
135.11690	24.5
145.10172	27.9
147.11723	18.5
149.13223	13.2
155.71062	12.9
159.11723	22.8
161.13348	13.0
169.10095	13.7
171.10347	13.5
259.20517	19.5
281.30939	14.1
333.24118	16.4
389.25882	13.6
513.02521	13.8
527.37329	22.3
763.80682	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	841.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12574	9.1
77.53960	9.5
103.05419	13.1
113.60945	11.1
116.31660	10.4
137.05991	40.8
219.79404	11.9
275.48605	12.9
600.82739	16.2
756.40039	13.4
841.30267	100.0
849.73792	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	841.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
66.79444	3.6
67.05490	11.0
69.07027	4.0
76.06395	2.7
81.07049	10.1
83.08600	3.1
89.05299	3.0
91.05457	4.2
91.71667	7.8
93.07043	4.3
95.08607	6.8
107.08585	3.9
109.10168	5.2
113.62241	3.2
147.04405	11.8
174.17683	2.9
192.23006	3.4
291.19391	5.7
318.68365	3.8
319.97305	3.2
347.21875	5.5
353.22998	7.1
399.33023	3.4
511.26712	7.6
814.45251	3.7
841.50604	100.0
842.51367	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	841.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	15.2
69.07055	7.4
81.07063	8.2
83.08598	3.4
91.05463	3.6
91.71626	6.7
93.07023	6.8
95.08589	10.9
95.70344	3.3
108.59843	3.2
109.10158	3.9
121.10143	5.5
147.04424	7.3
185.09633	3.3
206.35306	3.5
251.41434	4.8
266.44202	3.6
291.19308	9.0
293.20862	5.7
330.08054	4.1
333.14508	3.9
347.21814	6.9
511.26666	4.5
841.50507	100.0
842.51080	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	843.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
62.67773	3.5
70.97544	4.7
78.20475	4.0
81.07047	28.9
84.96007	8.4
89.96453	4.2
95.08598	8.5
98.97572	58.6
110.97551	4.7
112.99083	8.3
116.98615	33.9
125.98637	6.2
131.00151	19.5
134.99632	12.8
140.00189	56.8
149.01196	8.7
152.00197	5.9
154.01733	22.6
158.01236	23.3
158.99626	26.7
172.02808	6.3
173.01245	14.2
177.00745	16.3
181.02817	27.5
182.01228	8.3
191.02261	10.3
195.04437	10.3
200.02246	39.6
201.00781	5.6
214.03758	34.8
218.03339	5.8
219.01839	6.6
223.03943	9.0
226.00299	9.1
228.88545	4.9
237.02841	10.6
242.03253	29.1
260.04361	12.2
283.06067	12.7
324.34805	5.2
346.50595	5.3
355.14145	42.8
373.15268	17.8
376.17947	5.0
396.17035	26.7
397.15286	100.0
415.16339	18.3
441.14346	61.2
468.70789	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	844.5767
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04236	6.4
60.04518	80.7
67.05492	15.6
69.07074	5.1
69.48469	3.1
70.06568	8.4
81.07043	25.7
86.63017	3.6
86.76557	3.8
87.86201	3.2
89.67705	3.3
89.79243	3.1
93.07030	6.8
95.08604	22.9
97.36195	3.3
98.88136	3.5
109.10125	4.6
121.10061	4.3
135.00317	3.5
168.57381	3.7
268.26501	6.3
280.26340	17.0
298.27338	24.4
316.28452	100.0
378.28421	4.1
785.27643	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	845.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
65.16596	10.7
67.05466	16.2
74.62585	14.2
81.07049	26.8
86.49762	14.3
93.07024	19.5
95.08572	24.5
119.74034	14.8
129.57372	12.8
399.67050	14.2
845.48108	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	24.6
74.02623	11.8
76.71371	12.2
81.07050	23.9
82.31186	11.8
109.73324	12.5
117.47252	13.2
181.83861	12.1
207.52116	17.1
224.03590	19.3
287.10583	15.7
332.16632	14.1
340.53879	14.6
394.96494	16.5
401.96158	15.0
694.06213	17.8
772.19714	20.0
845.48315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	14.3
67.05499	20.9
69.03425	10.7
69.07050	5.8
73.02912	13.1
79.05496	7.8
81.03408	8.3
81.07044	25.4
85.02902	21.9
91.03944	9.4
91.05489	10.8
93.07014	14.3
95.08593	17.6
97.02898	17.4
107.08599	8.6
110.90122	5.0
121.66709	4.1
174.38391	4.5
200.93433	5.2
349.19922	20.5
519.29254	9.5
545.33838	5.6
845.50372	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	11.7
63.13620	3.6
63.98961	3.6
64.04350	3.6
66.58072	3.3
67.05489	15.3
69.03417	6.8
69.07067	5.4
69.08147	3.5
73.72401	3.9
75.61865	3.6
79.05494	11.0
80.69832	4.2
81.03387	5.4
81.07046	15.9
85.02879	14.4
91.03929	6.1
91.05476	5.4
91.70988	9.5
93.07039	12.3
95.08604	13.0
97.02876	9.3
97.06545	6.1
101.02354	5.4
107.08594	5.4
217.83514	5.1
239.38335	4.8
247.33432	5.3
256.85364	6.0
306.93594	4.6
349.19925	5.9
354.78223	4.9
505.67029	5.7
519.29065	7.5
538.26813	5.8
567.27631	6.2
695.35883	5.8
845.34558	7.3
845.50037	100.0
846.49005	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	845.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	15.9
67.08137	5.4
68.10680	6.5
69.07057	6.7
73.41678	5.6
81.03416	6.5
81.07051	20.7
85.02913	13.7
91.05473	15.3
93.07040	15.4
95.08607	9.1
97.02874	6.6
107.96462	5.9
113.06596	6.4
119.08603	8.4
119.18050	6.8
122.66222	6.7
140.36758	7.1
147.45549	6.4
152.67375	6.7
462.89337	8.7
527.16522	8.7
548.54883	8.6
845.50043	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	8.3
64.16510	3.1
65.95547	3.6
67.05492	12.7
69.03413	6.1
69.07056	4.4
71.04952	3.3
73.02879	4.9
79.05475	15.0
80.71507	3.4
81.03398	7.5
81.07047	17.3
81.90936	3.2
85.02886	12.8
91.03954	5.3
91.05470	13.7
93.07030	13.8
95.04984	4.6
95.08599	9.1
97.02856	4.1
105.07022	8.9
119.08580	7.5
127.03935	6.5
154.54584	4.4
165.37193	4.1
189.41435	3.9
232.95695	3.9
243.08456	5.8
312.74872	4.7
333.20551	5.9
339.61057	4.1
383.54578	4.4
418.51599	4.3
535.28821	9.4
551.28082	4.3
845.50146	100.0
846.49011	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	846.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97256	2.3
76.29870	2.5
79.05483	4.5
81.07050	9.3
85.06528	17.5
91.05473	14.8
91.71111	4.0
95.04968	4.7
103.05466	6.7
105.07019	4.0
109.06532	10.4
115.10057	2.6
119.04944	8.7
121.03911	2.9
122.03649	5.4
131.04918	12.4
131.08600	5.7
133.06454	3.1
137.05971	100.0
137.21121	2.8
138.89632	2.8
139.50055	3.1
141.06950	3.4
147.04407	3.2
147.08061	4.6
151.07553	7.3
159.08087	5.8
173.09689	3.5
187.07491	7.4
189.09094	5.8
211.07596	5.6
213.09059	3.4
224.30882	3.5
245.15434	8.6
257.15494	3.3
297.14978	3.5
323.12863	5.4
381.20621	90.0
532.55768	3.5
561.21179	3.5
756.26373	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	846.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70343	1.6
69.03433	1.9
79.05463	2.8
79.35960	1.7
81.03401	2.6
81.07054	3.4
83.04942	3.0
85.06540	8.6
91.05486	17.7
92.38271	1.8
93.07022	3.8
95.04960	5.4
103.05439	2.8
105.07008	4.5
107.04919	3.2
109.06517	3.8
115.05491	1.8
117.07072	2.8
119.04946	8.2
121.06496	2.8
121.10132	4.5
122.03646	2.9
129.07043	3.1
131.04929	6.4
133.02893	2.2
133.06538	2.2
137.05969	78.1
145.06493	4.9
145.10222	2.5
151.03893	1.9
151.07561	3.0
151.11177	2.2
151.41957	1.8
159.08031	2.9
160.86253	1.6
161.05998	2.8
163.07532	7.0
163.11191	7.4
169.06581	2.7
174.06721	1.9
175.07529	2.4
175.11208	5.0
177.05502	2.5
181.06483	4.1
187.07576	6.7
187.11197	4.1
189.09138	2.5
198.06807	2.9
199.07581	3.4
201.09351	2.4
205.08540	3.4
210.96761	1.9
213.09175	7.9
215.10696	2.0
217.08582	2.6
219.08057	2.4
221.09639	4.3
225.09111	5.2
229.08514	3.6
231.10104	2.6
241.08551	2.7
243.10147	11.9
251.10754	2.5
273.11499	3.8
277.08997	2.0
277.12100	4.1
279.10236	2.7
289.12369	3.4
295.09488	2.0
295.13058	2.4
305.11603	2.6
319.16843	2.9
333.11322	2.4
337.18036	2.7
361.17999	5.4
367.15433	3.5
368.06958	2.0
379.19028	100.0
380.19745	2.0
397.16129	34.1
397.20374	6.5
650.91125	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	848.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
63.43332	4.1
84.69096	5.6
85.06569	14.6
89.73737	5.0
91.05516	6.8
95.04971	6.8
103.05486	7.2
107.14635	5.3
129.07025	6.2
131.04948	14.6
137.05980	100.0
137.06960	7.7
137.60446	6.1
151.03966	14.4
163.07658	7.0
169.79968	5.3
175.07637	8.3
187.07735	6.3
191.06995	30.6
210.06842	5.7
277.08197	6.3
293.33490	7.4
311.12967	7.8
377.17392	30.2
387.14627	9.8
395.18631	24.4
667.93237	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	848.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
63.43332	4.1
84.69096	5.6
85.06569	14.6
89.73737	5.0
91.05516	6.8
95.04971	6.8
103.05486	7.2
107.14635	5.3
129.07025	6.2
131.04948	14.6
137.05980	100.0
137.06960	7.7
137.60446	6.1
151.03966	14.4
163.07658	7.0
169.79968	5.3
175.07637	8.3
187.07735	6.3
191.06995	30.6
210.06842	5.7
277.08197	6.3
293.33490	7.4
311.12967	7.8
377.17392	30.2
387.14627	9.8
395.18631	24.4
667.93237	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	848.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15770	2.5
59.45708	2.6
79.05486	11.8
79.09138	2.8
81.07062	3.2
83.04987	15.5
83.05402	2.7
83.08624	6.2
85.06566	3.3
91.05483	7.6
95.04987	6.7
103.05443	3.5
107.04977	18.2
107.05589	3.0
111.08141	3.5
119.08516	2.7
121.06539	7.3
123.04446	3.2
125.05896	3.2
131.04936	13.0
131.08571	5.7
135.04420	13.0
137.05974	100.0
141.06975	3.4
145.06496	3.5
149.06004	7.5
151.03896	11.7
151.07579	4.5
153.05472	4.7
157.06587	4.9
159.08025	4.1
161.05965	4.0
161.09688	3.2
163.07475	6.0
167.07036	37.9
169.06442	3.6
175.07346	3.8
177.05467	8.0
179.07155	4.3
186.23114	3.2
187.07545	6.3
188.08194	2.9
189.09120	8.3
190.37732	3.2
191.07040	11.6
201.09120	5.2
205.12270	8.8
213.09143	5.2
215.10884	4.6
219.10152	6.1
239.10666	3.3
243.10153	3.8
245.15234	4.2
261.11368	5.6
273.11176	6.8
341.17438	15.7
353.17487	4.8
366.18286	4.6
367.15524	3.8
377.17300	16.0
381.20538	84.1
387.14072	4.3
395.18423	10.3
397.16293	18.0
399.21881	14.4
479.29105	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	848.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03910	0.9
65.67593	0.6
65.72059	0.7
67.05489	1.5
79.05475	3.3
81.07040	4.5
83.04940	0.8
84.72368	0.6
85.06541	7.2
86.87844	0.7
91.05475	10.1
93.07039	9.7
94.04166	1.4
95.04968	4.8
95.08606	1.3
103.05499	4.4
105.07016	3.1
107.04958	3.1
109.06503	2.8
115.05445	1.1
117.07008	2.6
119.04966	3.8
119.08598	1.5
122.03655	5.3
129.06995	4.3
131.04930	10.8
131.08548	3.1
133.02838	2.4
133.06490	0.9
135.04411	1.6
137.05974	100.0
137.09570	4.4
138.06268	0.8
141.06981	0.9
143.08524	2.5
144.05690	1.2
145.06462	2.4
145.10092	1.9
147.04388	3.0
147.08072	0.8
149.05980	2.4
151.03960	2.1
151.07527	2.5
151.11139	1.7
153.05460	1.6
153.06947	1.2
155.08575	1.7
157.06497	1.5
157.10103	2.6
159.08066	2.5
159.11726	0.8
161.05963	3.5
163.07579	3.5
165.05531	0.9
165.06866	0.8
167.07050	2.8
167.08466	1.6
169.06470	1.2
169.10127	1.0
171.07977	1.1
174.06815	1.0
175.07529	2.6
175.11255	1.0
177.05435	2.0
179.07117	1.5
183.08096	1.6
185.05969	1.0
187.07564	7.6
187.11172	4.4
189.09123	3.5
191.07047	0.9
199.07652	1.1
201.09140	1.5
211.07526	1.9
213.09126	1.5
215.07132	0.7
215.14284	2.5
217.08578	3.1
217.11925	1.0
217.15755	0.9
225.09138	1.7
227.10707	1.0
227.14351	1.6
229.15863	6.1
231.07980	1.1
237.09096	0.8
238.09845	1.1
239.10741	1.7
241.08632	1.0
241.15779	4.4
245.15421	1.0
247.16969	1.8
248.08281	1.0
251.10764	1.2
259.16885	0.8
261.09122	1.7
262.09723	1.1
263.10629	1.2
265.12198	1.1
275.10568	1.1
285.15039	1.2
289.08401	0.9
291.10120	1.9
293.11801	1.4
293.15179	1.6
309.14911	1.1
315.09927	0.9
321.11163	1.6
323.12717	1.9
332.10498	1.1
335.12863	2.1
339.12207	1.1
347.12808	2.6
365.13675	2.2
365.21069	21.6
377.13608	0.9
377.21109	4.7
381.20685	1.9
383.22015	2.3
385.33981	0.8
395.14841	1.4
395.16418	1.2
395.22125	14.5
397.16190	2.1
413.23300	6.7
471.17813	1.2
483.17661	1.6
501.19290	4.0
561.20911	3.5
756.40540	0.9
840.12842	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04980	4.6
61.02911	10.2
62.54810	3.0
65.03940	2.8
67.05497	100.0
69.03411	4.1
69.07064	10.6
71.04964	6.2
71.29370	2.9
71.45206	3.1
79.05471	10.9
81.07047	41.9
83.08618	9.0
85.02892	15.8
89.58149	3.5
91.03943	7.1
91.05464	18.0
93.07030	24.0
95.08596	31.9
97.02859	3.9
105.07036	9.8
107.08588	12.5
109.10153	82.0
117.06970	3.3
119.05028	3.8
119.08588	12.0
121.10128	11.4
123.11692	3.7
128.25642	3.6
128.58894	3.0
131.08592	3.9
133.10141	3.8
135.11734	8.7
137.09584	4.4
145.04947	4.4
147.11687	4.2
147.39163	3.9
151.29604	3.3
155.10696	5.1
159.11699	4.2
163.14836	3.8
168.75922	3.5
173.11754	15.2
173.13275	3.7
225.33194	3.7
227.12857	7.1
229.14311	75.6
229.16382	5.6
261.22134	12.9
335.25751	45.7
489.35751	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	848.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	2.9
61.02915	7.1
65.03916	2.4
67.05495	100.0
67.74860	1.3
69.03416	3.3
69.07066	9.1
71.04974	2.8
73.02878	3.4
79.05487	15.3
81.07046	40.7
83.08602	8.8
85.02901	16.2
85.06513	2.9
91.03936	6.2
91.05473	15.2
93.07037	27.6
95.04925	2.5
95.08035	2.3
95.08601	28.4
97.02879	6.8
97.06483	2.2
97.10147	4.5
105.07021	9.0
107.08574	14.1
109.10153	75.2
110.74027	1.6
111.08104	3.8
115.11089	1.4
117.07020	3.1
118.14116	1.5
119.08588	8.9
121.10120	12.3
123.11745	3.0
126.18717	1.3
127.03907	1.9
131.08569	5.7
133.10139	5.7
135.11687	6.6
137.09642	2.4
145.04959	1.5
145.10107	4.1
147.11662	2.6
149.13249	5.0
155.10649	8.3
159.11644	3.6
161.13231	2.2
163.06010	3.5
173.11737	10.0
173.13203	3.7
187.14671	1.8
227.12836	3.4
229.14342	57.9
238.84198	1.8
243.21053	5.3
252.91301	1.5
261.22086	14.3
271.85074	1.7
335.25748	48.9
489.35736	40.3
490.36096	2.4
507.36945	4.1
544.61725	2.2
756.47644	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	849.4094
Annotation	Kapakahine B
Peak:m/z	Relative Intensity
60.04536	1.4
63.68697	1.2
69.07042	2.0
70.02938	8.6
83.06091	6.6
84.04494	75.5
86.06059	25.4
86.09696	26.6
87.05582	10.3
101.07133	100.0
103.05476	2.1
114.04696	1.5
114.05522	59.5
120.08099	67.4
127.05022	10.3
129.06595	3.7
131.08165	11.8
154.06149	1.5
154.82651	1.5
155.04492	1.8
155.11836	3.2
166.08650	2.2
172.07187	6.5
177.10159	3.4
183.11330	4.0
186.09135	4.2
200.14001	3.2
203.11847	2.4
205.09798	6.4
207.08333	1.5
214.11906	6.1
228.13553	2.1
230.12822	6.9
231.11269	10.2
240.13474	2.8
242.11317	42.2
248.14023	2.1
259.10794	4.7
274.11954	2.3
319.13980	6.2
361.18686	4.5
389.18027	15.3
404.22729	2.8
430.16809	2.3
432.22446	3.8
446.20383	8.9
447.19980	2.8
538.78760	1.6
543.25964	2.3
560.24255	8.8
673.32959	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
60.80995	1.9
73.35995	2.3
85.06570	2.1
88.61846	2.3
91.05467	5.3
91.22002	1.9
94.04185	4.2
101.66417	2.2
103.05477	3.9
107.04921	3.1
109.06564	2.2
122.03657	7.9
129.07025	7.5
131.04915	5.7
131.08574	5.0
137.05975	100.0
141.06949	3.2
145.06456	4.0
149.06017	3.5
151.03922	2.8
151.07570	8.5
153.05411	2.6
157.06516	3.6
163.07509	3.8
174.06828	4.6
175.07538	4.0
177.05457	2.5
179.07123	4.0
187.07579	10.2
189.09152	6.7
201.09131	5.7
217.08630	3.6
219.10178	8.5
283.09628	3.6
297.14905	3.0
299.10223	3.0
307.09805	3.5
321.11102	3.3
381.20694	3.5
433.16223	3.4
507.18518	3.1
527.20404	7.5
539.20544	18.8
557.21777	5.6
573.56726	3.1
599.22559	20.5
617.23615	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	850.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
60.30882	2.8
64.50526	2.7
65.05246	3.0
67.05471	6.7
79.05092	3.5
79.05464	18.1
81.07040	6.6
83.04981	9.4
91.05462	10.8
93.07039	7.9
95.04981	8.1
95.08603	9.4
103.05465	4.7
105.07050	8.1
107.04945	30.4
109.06528	4.5
119.04928	5.3
121.06515	11.6
122.03650	6.7
129.06987	6.2
131.04932	13.5
131.08566	9.4
133.02850	7.4
133.06496	5.6
135.04405	26.0
137.05971	100.0
141.06972	4.8
145.06503	4.9
145.68333	3.0
147.04428	4.2
149.05945	17.8
151.03931	4.2
151.07573	4.6
157.06424	5.2
159.08051	5.4
161.05981	10.2
163.04062	3.4
163.07494	6.7
167.07030	65.0
175.07544	6.3
177.05521	10.3
187.07578	5.5
189.09172	8.0
189.12712	8.7
201.09010	4.1
207.13695	18.9
213.09053	7.1
219.10181	8.5
221.24469	3.6
231.14005	3.9
243.10184	10.2
261.11090	7.2
283.16992	3.9
307.09738	4.2
325.18283	3.9
343.18930	8.4
355.18936	7.3
365.21173	7.4
367.15271	8.5
373.20166	5.2
383.22168	73.3
395.21951	5.6
397.16348	30.4
401.23233	13.2
413.23145	5.1
602.67145	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	850.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
60.30882	2.8
64.50526	2.7
65.05246	3.0
67.05471	6.7
79.05092	3.5
79.05464	18.1
81.07040	6.6
83.04981	9.4
91.05462	10.8
93.07039	7.9
95.04981	8.1
95.08603	9.4
103.05465	4.7
105.07050	8.1
107.04945	30.4
109.06528	4.5
119.04928	5.3
121.06515	11.6
122.03650	6.7
129.06987	6.2
131.04932	13.5
131.08566	9.4
133.02850	7.4
133.06496	5.6
135.04405	26.0
137.05971	100.0
141.06972	4.8
145.06503	4.9
145.68333	3.0
147.04428	4.2
149.05945	17.8
151.03931	4.2
151.07573	4.6
157.06424	5.2
159.08051	5.4
161.05981	10.2
163.04062	3.4
163.07494	6.7
167.07030	65.0
175.07544	6.3
177.05521	10.3
187.07578	5.5
189.09172	8.0
189.12712	8.7
201.09010	4.1
207.13695	18.9
213.09053	7.1
219.10181	8.5
221.24469	3.6
231.14005	3.9
243.10184	10.2
261.11090	7.2
283.16992	3.9
307.09738	4.2
325.18283	3.9
343.18930	8.4
355.18936	7.3
365.21173	7.4
367.15271	8.5
373.20166	5.2
383.22168	73.3
395.21951	5.6
397.16348	30.4
401.23233	13.2
413.23145	5.1
602.67145	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	850.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09851	2.9
67.05498	90.7
69.07040	10.3
79.05486	20.9
81.07049	83.7
83.08600	5.0
91.05475	26.6
93.07039	45.7
95.04966	7.6
95.08604	86.1
97.10190	3.9
102.28342	3.5
105.07037	4.6
105.71533	3.4
107.08606	24.0
109.10162	29.4
115.28331	3.4
119.04945	51.7
121.10141	74.0
123.11722	9.9
135.11684	81.4
135.12665	6.8
137.13281	6.0
147.04402	100.0
149.13269	8.3
175.14813	5.2
188.29475	3.7
213.09061	38.8
217.19522	11.7
235.20541	71.4
253.21570	22.1
361.99744	4.1
663.84937	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	850.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
66.53951	1.7
67.05495	63.5
69.07049	8.6
79.05477	18.4
81.07043	60.2
83.08612	5.3
85.06529	2.7
91.05469	20.9
93.07038	26.0
95.08595	56.4
97.06541	3.2
97.10121	2.7
99.08103	2.9
105.07014	6.7
107.04935	3.4
107.08594	14.9
109.10153	20.6
119.04925	21.1
119.08580	5.6
121.10139	50.6
123.11733	4.8
131.08499	3.0
133.10141	5.2
135.11676	40.0
135.12663	2.8
145.10133	3.2
147.04401	100.0
147.11639	4.1
149.13286	7.6
150.98416	1.9
157.26056	1.9
161.13194	2.4
165.05444	16.9
175.14821	4.4
217.19534	7.3
235.20541	49.1
236.21021	2.2
253.21634	13.3
451.39114	3.9
465.00742	2.3
469.40411	6.0
868.70184	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	850.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	61.7
69.07059	12.0
71.04991	2.7
79.05480	17.3
81.07047	62.3
83.08612	6.9
85.06519	3.7
89.48207	2.5
91.05479	19.9
91.71562	3.0
93.07037	32.8
95.08596	64.3
95.09157	5.0
105.07041	5.4
107.08585	19.2
109.10157	21.5
111.08102	2.8
117.07015	2.6
119.04941	35.9
119.08590	5.6
121.10144	45.8
123.11719	5.9
131.08569	4.4
133.10190	3.4
135.11688	45.1
137.13333	4.2
145.10211	3.7
147.04404	100.0
147.11661	5.2
148.04790	3.3
149.13275	11.9
161.13162	4.0
165.05487	7.6
217.19405	6.0
235.20546	52.8
237.60497	2.4
253.21722	9.7
451.39188	3.7
469.40598	13.0
487.41748	4.5
756.41687	3.8
871.50604	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	850.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
65.74109	3.9
67.05498	80.2
69.07056	10.7
79.05486	20.7
80.93738	3.6
81.07050	70.1
83.08621	11.3
85.06541	7.0
91.05463	26.8
93.07035	35.9
95.08601	81.2
97.10168	5.9
100.83504	4.2
104.62497	4.1
105.07066	5.9
107.04986	4.6
107.08593	17.5
109.10152	19.0
119.04943	54.1
121.10144	60.5
131.08601	5.8
133.10156	7.2
135.11693	62.4
137.13287	7.2
145.10236	4.8
147.04408	100.0
149.13272	8.0
165.05449	24.7
211.90829	4.5
213.09042	24.6
217.19508	8.6
232.33315	5.0
235.20586	66.1
248.61076	4.4
253.21654	18.6
264.04855	6.6
273.30542	5.8
451.39111	7.7
469.40466	7.9
538.38861	5.2
576.48822	6.1
582.95227	6.4
646.27075	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	851.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35248	12.2
61.56062	11.9
76.92610	14.5
82.04311	12.4
85.06300	12.8
99.62553	13.6
104.06968	14.5
111.22421	16.1
133.94435	14.8
436.59818	18.3
448.32990	18.1
756.53094	22.4
851.36176	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36795	3.2
105.56077	3.7
137.05989	13.1
159.04166	9.5
178.07582	4.1
269.11569	8.0
419.18079	10.3
561.20612	5.4
579.00043	4.8
611.14673	6.0
851.20874	6.4
851.36145	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
61.50582	0.6
62.69500	0.6
63.42026	0.7
65.03943	1.4
65.51406	0.7
65.87970	0.7
66.73086	0.7
67.05497	25.6
69.07061	4.6
69.44117	0.6
70.06566	1.5
70.76116	0.6
74.19006	0.7
79.05487	6.5
80.20805	0.7
81.07050	23.5
83.08601	2.2
85.06498	1.4
91.05463	8.0
93.07031	10.7
95.08602	26.1
97.06528	1.8
97.10155	0.9
98.98447	3.1
105.07031	2.6
106.91225	0.7
107.08589	6.7
109.10145	8.1
111.08096	1.2
112.08494	0.8
119.04939	17.0
119.08581	1.8
121.10142	19.7
123.11713	2.4
133.10101	1.2
135.11693	23.5
137.13239	0.9
137.90935	0.9
147.04407	100.0
147.11636	1.3
148.04608	0.8
149.13251	2.7
155.01010	1.7
161.13211	1.1
162.96361	0.9
165.05466	31.5
175.14877	0.9
217.19528	3.7
235.20551	15.7
253.21539	4.5
263.23593	1.1
337.27332	3.9
434.32483	3.1
435.33020	2.0
627.18030	0.9
844.52728	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
62.11746	1.1
62.76341	1.1
67.05493	27.7
69.07049	2.9
75.53782	1.4
79.05484	8.2
81.07043	28.2
83.08610	4.7
85.06544	1.5
91.05470	6.8
93.07024	10.8
95.08597	25.8
96.08989	1.7
98.98461	3.4
105.07021	1.4
107.08589	5.8
109.10162	7.9
109.10790	1.4
119.04934	18.8
121.10137	21.3
123.11688	2.9
135.11702	21.2
137.13414	1.6
147.04399	100.0
149.13243	3.3
165.05444	26.5
217.19556	4.4
235.20538	19.9
253.21552	5.2
263.23596	2.2
268.30463	1.3
337.27347	6.3
641.25745	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	851.6033
Annotation	Unknow
Peak:m/z	Relative Intensity
66.64164	3.2
69.07072	4.6
70.62476	3.7
72.08147	29.6
76.02197	8.1
81.07051	3.6
86.06860	3.7
86.09695	100.0
106.50137	3.5
157.13336	9.1
158.06343	5.9
172.05733	4.0
173.25182	3.4
175.08911	4.1
185.12877	10.7
185.16628	6.1
189.10519	5.5
213.15958	4.3
279.83072	3.7
395.30728	5.8
466.30551	8.3
523.91675	4.0
539.36194	4.5
647.16370	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	852.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
103.05456	53.1
122.03637	7.0
131.04915	100.0
137.05966	69.8
140.53943	3.6
163.07463	19.9
174.06696	7.0
175.07527	5.2
187.07501	37.9
189.09172	11.1
217.08646	10.4
227.83762	5.1
277.08557	4.4
307.09549	4.7
321.11203	8.4
444.15381	4.6
517.18579	8.8
537.19116	17.9
643.22961	8.3
661.23541	6.8
691.96729	4.9
703.25513	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	853.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13820	3.7
74.70772	4.3
92.00864	5.3
97.20475	3.9
137.05989	8.9
155.96069	5.0
156.19806	4.8
159.04189	14.1
167.03377	5.3
176.58012	5.8
187.11069	6.7
217.04730	5.7
221.43828	5.9
292.25879	6.3
343.38358	5.4
498.93927	5.8
534.62140	6.2
702.79199	7.5
853.36926	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.377
Annotation	Unknow
Peak:m/z	Relative Intensity
77.01686	20.6
82.29389	21.4
91.71082	27.4
100.20771	19.4
117.16399	22.7
150.89447	20.6
159.04124	28.9
181.67393	25.6
222.04768	28.7
234.28401	25.3
265.58337	26.8
270.50684	24.6
408.85880	32.8
418.19992	27.3
473.29526	28.8
582.73315	31.3
776.10553	29.5
853.36395	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.377
Annotation	Unknow
Peak:m/z	Relative Intensity
77.01686	20.6
82.29389	21.4
91.71082	27.4
100.20771	19.4
117.16399	22.7
150.89447	20.6
159.04124	28.9
181.67393	25.6
222.04768	28.7
234.28401	25.3
265.58337	26.8
270.50684	24.6
408.85880	32.8
418.19992	27.3
473.29526	28.8
582.73315	31.3
776.10553	29.5
853.36395	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36964	10.5
66.60592	11.2
68.65702	15.2
69.07053	32.2
70.06580	47.4
81.56325	13.7
82.06577	36.2
84.08124	64.6
91.71550	14.4
113.07133	19.6
123.87160	14.8
132.28178	16.2
137.72810	14.4
185.22098	16.9
233.98468	21.5
257.00238	21.9
276.10672	15.2
295.02051	16.1
449.95239	17.6
512.26886	19.1
581.25635	52.9
627.25342	28.2
853.38934	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
62.78428	8.2
66.85299	9.1
185.04140	8.6
185.24010	8.7
208.66922	9.2
240.55420	9.9
251.36507	10.1
474.36087	12.2
531.53357	11.5
559.68829	11.4
575.71332	11.9
643.64832	12.1
689.44580	12.0
853.46814	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
91.71046	11.2
101.29268	4.8
108.73879	4.4
110.91234	4.4
114.54579	5.1
128.23842	4.8
184.25716	5.2
189.58546	4.9
238.56693	5.2
254.74199	5.8
322.09012	6.6
335.51758	5.7
599.54138	6.4
656.08105	6.9
704.58380	5.7
817.73395	6.3
846.12842	6.8
853.46539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
68.06565	4.3
100.35168	4.4
278.10699	5.2
289.86380	7.9
304.22656	6.4
427.45029	6.3
441.18594	5.9
533.06696	6.0
853.46375	100.0
870.04114	6.4
870.23212	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	854.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
79.00961	3.0
89.77557	3.2
91.71687	5.0
93.80850	3.1
95.08621	3.4
97.10183	8.0
107.08607	5.8
122.51955	4.1
145.06520	5.0
157.10167	4.8
177.46756	3.7
185.09685	3.9
187.11241	4.4
200.38121	3.5
239.14336	4.7
305.10190	4.7
331.15558	7.9
343.11996	6.4
349.16507	4.6
359.14914	5.9
360.81158	4.4
361.12802	5.8
377.15945	6.0
379.13635	5.4
397.87042	4.3
413.18076	29.8
416.19913	5.0
425.14346	7.7
430.20685	31.8
432.73053	3.8
442.17047	100.0
443.15747	12.7
482.38068	4.0
588.67303	4.4
657.31543	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	854.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	13.8
69.03423	25.3
71.01353	4.5
73.02909	40.9
74.35841	3.6
80.03836	4.6
81.03411	5.5
83.04964	5.2
85.02895	100.0
87.04492	4.1
91.05460	4.7
97.02874	54.2
97.10159	6.3
99.04490	6.1
107.08597	5.4
109.02872	13.9
111.04436	5.7
115.03960	18.4
119.04877	5.5
127.03895	27.4
133.04092	6.0
133.04939	27.9
135.11732	5.2
135.94885	4.1
143.35834	4.5
145.04976	32.2
145.10092	5.8
147.04417	13.4
151.09158	4.3
163.06044	14.9
169.05013	4.8
204.08727	5.9
220.14409	4.4
223.06023	4.7
229.08493	5.9
247.09718	4.9
259.08121	14.8
293.19595	10.9
295.10303	17.3
331.15326	12.2
405.14377	4.7
413.17914	37.3
430.20776	33.8
442.26678	6.0
454.20676	23.2
466.89731	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	855.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
91.71645	8.4
110.56586	5.3
137.06003	10.8
152.76118	4.9
159.04219	8.7
267.65045	5.2
277.26370	5.7
293.19135	6.0
437.23032	5.8
496.43796	5.7
527.27759	5.3
780.38550	6.6
855.24854	7.5
855.39252	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30441	5.1
65.59760	5.2
67.05499	6.1
71.04900	5.7
71.80807	5.6
74.36243	6.2
75.83416	5.6
87.98541	5.4
91.57113	5.6
96.60374	5.6
102.04462	5.6
109.11954	5.9
166.93471	7.3
170.62950	5.4
255.03499	7.7
439.24573	19.1
855.47552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08205	2.8
66.19283	2.7
76.51330	3.2
86.10451	3.3
93.61409	3.9
99.58160	3.4
132.17635	4.5
231.95856	4.1
275.19769	19.1
293.37128	3.6
380.97861	3.7
439.24603	47.0
516.54730	4.4
603.29352	6.0
756.26361	4.6
855.49561	100.0
856.50726	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	857.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
64.08819	3.2
65.67131	3.1
66.51785	3.6
67.28596	3.2
68.66398	4.0
77.11034	3.8
88.63024	3.4
100.53124	3.7
103.05466	9.1
131.04951	12.2
137.05981	15.2
153.56390	4.3
177.03732	4.3
303.56644	4.3
304.16846	5.1
367.68069	5.4
797.26324	6.5
857.29755	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04536	0.4
69.07040	0.4
79.08814	0.3
79.35787	0.4
81.04507	0.6
82.05328	0.6
83.06094	7.3
83.82539	0.4
86.09698	1.5
87.05579	1.8
87.49677	0.4
93.04525	4.8
95.06074	0.4
102.66915	0.4
110.07155	100.0
111.07462	0.5
120.08090	5.3
133.56609	0.4
138.06578	0.5
140.63100	0.4
192.07677	0.8
207.12524	0.5
212.11812	0.8
223.11906	2.1
233.10364	1.2
251.11351	11.7
257.13947	1.5
283.06931	0.4
285.13528	1.1
324.14636	0.5
398.13602	0.4
398.18204	2.4
455.20721	0.6
569.24774	1.2
654.34009	0.5
682.33197	1.9
726.69989	0.4
840.67090	0.6
858.40668	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	859.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
65.04330	2.2
67.42393	2.2
67.78045	2.1
70.30818	2.6
80.44970	2.5
95.76367	2.2
102.50955	2.5
102.96776	2.4
109.44678	2.5
111.39253	2.5
132.35957	2.8
136.18082	2.6
169.93633	2.6
276.42209	3.1
290.62119	2.6
445.35788	3.4
447.21994	100.0
696.51599	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	860.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
66.95274	4.4
68.89979	4.2
79.01762	4.5
81.07056	15.9
85.06527	10.2
91.05476	5.0
101.70882	4.1
109.06521	7.8
119.04975	6.1
124.10493	5.3
131.08536	7.4
137.05962	60.7
147.08046	4.9
151.07466	9.2
155.14725	5.1
155.15990	5.9
189.09056	7.9
192.81783	5.7
200.95496	5.2
272.92252	5.8
297.14758	7.1
371.14957	20.7
373.83047	6.6
381.20517	100.0
450.60104	6.4
576.61389	6.1
685.94470	6.0
690.23010	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	862.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
85.06578	14.5
91.05501	5.9
119.08644	4.6
122.03673	6.3
137.05968	100.0
143.08636	6.3
151.07616	13.0
171.08118	8.8
177.05553	5.1
187.07628	7.9
199.07547	9.8
249.64128	4.6
267.13678	4.9
273.14673	5.9
295.13409	12.7
366.13660	5.6
397.20071	84.5
464.98810	5.2
836.39185	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	862.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42407	5.8
64.42278	4.6
65.89484	4.9
66.27115	4.5
83.04909	5.3
85.06524	9.7
91.05469	16.5
119.04962	6.5
131.04904	13.7
133.17503	5.8
137.05965	67.2
145.06560	7.1
163.07513	6.6
175.18100	6.0
187.07600	7.6
281.49728	6.3
295.09549	7.9
379.18994	100.0
397.20068	11.7
501.19766	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	862.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
64.61170	2.0
79.05453	2.3
81.03397	4.0
85.06536	11.3
85.17015	1.9
91.05470	12.4
91.71064	2.5
95.04964	7.4
101.72649	2.3
105.07031	3.2
107.04976	2.5
109.06480	2.5
115.05426	2.8
117.07050	2.9
119.04912	7.2
121.06532	2.7
122.03664	4.8
123.04423	3.5
129.07036	4.0
130.10977	2.1
131.04970	4.4
131.08510	2.2
132.13043	2.6
133.02867	5.9
133.06535	3.5
133.19026	2.3
133.73256	2.3
135.04460	2.6
137.05966	100.0
137.09630	5.5
139.29628	2.5
141.06975	10.1
147.04399	4.2
149.06026	5.7
151.07553	4.8
157.06517	5.4
161.05930	6.2
163.07426	3.2
169.06458	6.5
175.07558	11.2
175.11189	2.6
177.05434	3.9
182.07280	3.2
187.07576	9.0
187.11169	4.0
189.09125	7.7
197.05931	3.1
198.00613	2.7
199.07545	5.3
201.09219	6.4
205.10103	4.6
211.07504	3.8
212.12001	3.1
215.08690	2.5
215.10657	2.8
218.07312	3.7
219.08151	4.2
219.10040	13.5
223.07564	3.3
224.08401	2.7
225.09010	4.7
225.12743	10.8
227.07100	3.0
229.08569	6.8
231.08159	4.5
232.08792	2.5
233.09674	7.8
243.10205	5.6
249.09273	3.8
253.12183	2.8
259.13345	11.9
260.08548	2.8
261.09088	4.4
265.12222	3.3
267.09830	2.5
273.11453	3.7
273.14893	4.6
275.10757	6.6
277.08728	3.0
283.13168	4.8
289.12015	3.3
291.10223	3.0
293.11719	8.3
309.14944	5.5
311.12802	6.8
317.15265	3.5
321.14941	4.5
345.14749	8.7
349.17917	15.9
359.16556	3.1
365.10071	2.5
367.15250	5.9
374.90366	2.7
377.17432	90.1
395.18512	89.2
397.16269	17.0
413.19501	12.0
422.35718	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	862.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
63.55703	1.9
63.72572	1.5
66.43566	1.5
67.05497	2.9
69.07075	1.9
79.05470	5.8
81.07050	5.4
85.06541	6.6
91.05479	11.5
93.07034	9.3
95.04979	6.2
95.08575	2.3
101.00069	1.9
105.07037	5.4
107.04945	4.7
109.06518	2.2
117.07008	2.0
119.04967	3.8
119.08636	2.3
122.03648	4.4
125.09737	2.0
128.06212	2.0
129.06996	6.6
131.04919	3.8
131.08543	4.1
137.05974	100.0
137.09630	4.0
143.08551	2.3
145.06454	2.6
145.10100	1.8
147.04366	2.6
151.03923	2.9
151.07466	3.8
151.11201	3.4
152.76303	1.9
153.06908	2.9
157.06435	3.6
157.10126	3.6
163.07495	3.2
167.07016	7.5
175.07556	3.6
177.05437	5.5
181.04967	4.2
187.07625	3.4
187.11182	9.3
189.09151	6.2
191.07018	2.7
205.08670	2.8
217.08534	4.1
227.14304	4.2
229.15912	6.9
235.09560	2.8
241.15916	4.8
245.15366	3.1
247.16914	4.6
293.15277	2.6
365.21106	35.9
371.14816	22.0
371.19138	3.0
377.21051	4.6
383.22162	5.2
395.22162	9.9
413.23187	12.3
450.61945	2.1
685.77222	2.5
780.81189	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	862.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	65.2
69.07050	9.7
71.04977	3.5
71.55186	2.9
79.05489	28.7
81.06596	5.8
81.07047	74.0
83.08601	7.2
89.03919	6.8
91.05457	32.7
92.60910	3.0
93.07034	41.3
95.08601	55.6
96.44032	4.0
97.06495	4.6
97.10194	5.9
105.07021	18.2
107.08576	24.2
109.10144	19.0
115.75354	3.1
117.02638	3.2
117.03372	15.3
117.06975	3.9
119.04923	21.2
119.08587	16.0
121.10144	42.6
123.11711	5.8
127.77378	3.3
131.08583	12.8
131.32597	3.2
133.10146	13.9
135.11694	30.5
137.13269	4.4
145.02821	28.9
145.10133	10.1
147.04396	69.3
147.11681	7.2
149.06027	6.9
149.13269	6.0
161.13271	4.1
165.44604	4.5
177.05463	100.0
182.54797	3.7
186.05472	28.8
212.30396	3.5
235.20457	4.9
306.88608	3.8
364.52423	3.8
410.62064	3.7
451.38962	22.9
469.40378	36.3
476.90054	4.4
487.41177	25.7
756.00433	5.1
835.58618	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	862.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45982	2.2
65.03932	2.8
67.05493	68.9
69.07063	13.3
73.39111	2.3
78.94037	2.8
79.05485	25.3
81.07049	85.9
83.08597	11.7
85.06526	3.3
89.03922	7.9
91.05469	35.8
93.07036	39.8
95.04971	6.3
95.08601	64.6
97.06509	3.2
97.10142	3.9
99.08064	3.4
105.07015	14.6
107.08588	28.4
109.06440	2.6
109.10138	18.6
111.07993	3.1
117.03364	16.1
117.06986	6.8
119.04928	24.4
119.08585	15.9
121.10148	42.1
123.11703	8.3
127.58057	2.8
129.82027	2.4
131.08571	9.5
133.10107	13.6
135.04453	3.6
135.11690	31.6
135.64261	2.7
145.02834	33.5
145.10162	10.7
147.04401	78.0
147.11685	6.5
149.05981	7.9
149.13240	5.6
158.05986	7.8
159.11650	6.3
161.13235	7.7
177.05469	100.0
177.07027	5.0
186.05487	34.6
189.16435	3.2
215.18066	3.6
221.19012	4.6
283.34897	3.0
331.39923	2.8
451.39410	25.9
464.82135	3.1
469.40393	46.6
487.41254	21.1
783.97095	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	864.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
60.93056	3.9
76.39778	4.1
77.59523	3.7
79.05491	11.9
80.20396	3.9
81.03421	4.9
83.05002	17.8
83.08653	8.3
85.06534	5.0
91.05506	10.5
93.07055	5.4
95.04977	10.3
103.05509	8.3
105.07047	8.4
107.04950	20.9
109.06567	5.8
114.91556	3.8
120.77111	3.9
121.06505	9.4
131.04984	13.5
133.06523	10.2
134.06033	4.2
135.04427	21.6
137.05966	100.0
137.06924	6.3
143.51147	4.7
144.77155	4.5
145.06516	5.3
146.45757	4.6
147.04442	9.4
149.06003	21.8
151.03975	5.6
151.07526	8.9
153.05522	8.5
160.05299	4.2
161.06015	11.6
167.07034	42.1
177.05450	26.4
179.07054	11.5
187.07632	13.8
189.09135	4.6
201.12823	4.8
205.12300	12.3
229.08679	4.6
248.46280	5.5
312.30081	4.7
321.11304	5.3
341.17612	18.5
365.14026	7.4
381.20590	91.1
383.14737	6.3
399.21899	10.3
561.21558	6.7
683.34460	5.1
691.89880	6.1
877.22516	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	866.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01592	3.5
67.05486	3.4
68.51196	3.0
69.93716	3.5
72.00211	4.0
79.05492	17.6
81.07043	8.2
83.04975	17.4
91.05487	8.8
93.07029	7.6
95.04946	10.8
95.08607	11.4
103.05442	11.3
105.07044	8.0
107.04939	33.9
121.06525	11.6
122.03638	6.1
129.07028	8.4
131.04935	14.9
135.04433	27.4
137.05965	100.0
137.06947	7.6
143.08614	4.0
147.04506	6.0
149.06010	16.2
151.03841	5.6
151.07567	6.2
157.06477	3.9
161.05968	6.6
163.07533	4.2
165.05354	4.1
167.07031	77.3
174.06584	4.1
175.07568	5.0
177.05447	4.4
179.07004	8.5
187.07549	15.8
189.09152	8.2
189.12761	10.1
207.13844	16.7
213.08980	4.1
233.09705	5.4
241.08644	5.7
259.10178	4.4
261.09283	5.3
312.56366	5.0
365.13818	9.2
368.19705	5.1
372.35245	5.9
373.20123	5.2
377.17239	5.1
383.22122	82.4
388.61945	5.2
395.22040	7.4
401.23328	18.2
501.18741	5.4
536.10748	4.9
561.20654	9.5
725.04681	5.1
728.82031	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	867.356
Annotation	Unknow
Peak:m/z	Relative Intensity
68.40243	2.8
75.87829	3.4
137.06030	15.3
139.63362	3.1
159.02266	3.2
159.04143	7.3
219.95831	3.4
256.23648	3.7
417.79276	3.6
720.99341	4.7
758.44067	4.0
767.49725	4.0
867.35400	100.0
868.35040	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	867.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34693	8.9
60.38488	7.7
79.61180	9.1
91.71601	11.8
137.05975	16.2
145.94051	10.3
174.45648	11.9
260.63858	10.9
426.66248	14.1
867.34937	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.356
Annotation	Unknow
Peak:m/z	Relative Intensity
62.46379	2.4
63.76469	2.2
66.92852	2.3
74.74554	2.4
81.28012	2.7
82.56100	2.2
101.40440	2.6
137.06038	5.2
146.03412	2.9
159.04256	10.4
203.06862	3.0
257.82089	2.9
315.94638	3.7
419.18289	4.8
433.20029	4.9
549.18768	3.5
603.73450	3.3
766.83740	3.8
849.03436	3.2
867.35547	100.0
868.36334	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	867.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
64.07901	18.0
69.07068	25.8
82.06599	39.6
84.08155	76.1
113.07208	25.9
114.09192	24.7
145.60333	23.1
233.98581	33.8
257.00046	39.2
265.81631	21.0
443.61377	27.0
595.27106	65.4
638.56830	23.9
641.27899	52.3
731.36688	30.3
827.62817	25.9
867.40179	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59547	7.5
66.25464	7.7
71.42735	8.3
78.62208	10.2
84.94028	8.7
94.22533	11.0
116.18314	10.9
147.44194	9.6
160.85500	11.7
191.76279	11.9
203.90102	9.7
235.67860	10.3
236.09029	10.6
243.29126	10.4
426.27054	12.7
688.14557	12.5
867.50299	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
74.67822	2.2
78.62926	3.2
80.20176	2.9
81.07046	3.3
91.70936	2.4
95.08549	2.7
119.10484	2.5
121.61746	2.8
157.47163	3.2
193.25366	3.2
203.52771	3.0
355.40347	3.8
509.39426	6.8
549.95502	3.1
673.44952	7.3
703.45428	4.9
829.17029	4.0
867.49951	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
67.58444	5.8
73.09692	5.7
78.97068	5.9
79.28376	8.1
107.64030	7.2
116.44254	6.0
134.79198	7.3
137.05980	12.3
152.83443	6.6
159.04134	8.9
271.39108	6.8
478.15240	9.0
755.93262	9.7
869.37305	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
67.58444	5.8
73.09692	5.7
78.97068	5.9
79.28376	8.1
107.64030	7.2
116.44254	6.0
134.79198	7.3
137.05980	12.3
152.83443	6.6
159.04134	8.9
271.39108	6.8
478.15240	9.0
755.93262	9.7
869.37305	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5486
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46325	1.2
62.06079	42.4
67.05486	5.5
69.01071	1.5
69.07060	3.8
69.38035	1.3
71.08625	17.6
81.07047	10.1
83.08616	6.0
85.10176	8.3
91.71040	1.9
95.08601	12.7
97.10144	3.8
98.98456	5.9
109.10161	3.8
123.11721	1.9
124.01575	1.8
155.01065	4.4
184.42648	1.5
216.06303	2.1
245.31732	2.0
282.27872	13.3
293.13644	1.9
313.27322	100.0
324.04968	1.7
357.87839	1.8
387.84253	1.7
393.23962	7.1
396.68292	2.0
407.90427	1.7
436.28250	28.2
454.29242	27.1
604.28741	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	871.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06372	6.0
70.06557	5.4
72.72635	5.5
91.71661	8.4
96.74178	5.5
104.03946	7.5
111.15884	5.9
129.71530	7.2
137.05997	16.2
139.05284	6.0
159.04201	15.1
162.77220	7.0
163.53683	6.5
195.86897	6.1
274.03461	6.0
298.77258	6.9
324.34900	7.1
413.64679	7.3
871.38348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06372	6.0
70.06557	5.4
72.72635	5.5
91.71661	8.4
96.74178	5.5
104.03946	7.5
111.15884	5.9
129.71530	7.2
137.05997	16.2
139.05284	6.0
159.04201	15.1
162.77220	7.0
163.53683	6.5
195.86897	6.1
274.03461	6.0
298.77258	6.9
324.34900	7.1
413.64679	7.3
871.38348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
65.18935	7.9
65.79827	7.6
67.05499	98.8
67.05798	11.3
69.07067	40.2
76.12779	8.5
79.05494	57.8
81.03397	53.8
81.07042	100.0
83.08616	13.0
91.05468	66.3
91.71062	12.5
93.07041	82.1
95.04996	28.3
95.08615	60.0
97.06540	23.1
105.07037	55.0
107.08595	44.9
109.10191	41.5
109.84254	8.5
117.07052	27.7
119.08616	36.9
121.10170	32.2
123.08131	10.7
128.06274	11.5
129.07054	15.6
130.36763	8.4
131.08621	43.8
133.10123	66.6
135.08104	10.2
135.11734	18.1
143.08563	21.3
145.10207	38.2
147.04437	19.2
147.11676	12.2
149.09641	24.7
155.08662	10.7
157.10214	14.1
159.11716	26.4
161.09706	22.4
171.11713	20.5
173.09557	11.0
179.10724	36.1
183.11734	13.7
187.14803	13.1
297.13254	13.2
318.92154	10.7
335.25784	44.8
367.32941	12.1
399.16473	86.9
487.71149	10.7
501.35712	79.3
501.42468	11.5
567.32935	12.9
659.38025	36.0
677.38440	63.2
705.55530	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	874.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35689	6.3
67.05489	100.0
69.07060	34.4
76.70760	7.2
77.64524	7.9
79.05482	52.4
80.22150	8.0
81.03419	70.3
81.07047	96.7
82.29695	7.7
83.04967	11.3
83.08612	16.0
89.75034	7.0
91.05483	86.5
91.71057	12.9
92.12167	8.0
93.07039	73.5
95.04959	31.4
95.08604	75.1
97.06515	12.8
104.28171	7.3
105.07021	44.8
107.04990	7.5
107.08572	42.0
109.06501	13.2
109.10150	27.2
117.07034	26.6
119.08591	39.6
121.06515	12.5
121.10148	36.9
123.11676	13.7
128.06235	9.9
129.07004	9.3
131.08572	41.3
133.10121	41.6
135.11662	18.9
143.08554	25.8
143.09595	9.8
145.10127	26.4
147.04463	17.1
147.11717	17.3
149.09633	28.7
151.11133	10.6
157.10101	11.0
159.11711	17.5
161.09622	29.2
173.13269	19.1
179.10725	23.7
181.10095	8.1
213.16319	10.7
218.08089	9.7
220.30821	11.7
226.51936	8.4
261.11212	10.8
331.93344	10.7
335.25848	48.9
399.16165	41.7
409.31131	12.9
501.35669	55.9
569.61639	10.5
659.37659	35.9
677.38940	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	874.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02891	8.2
67.05493	100.0
67.05820	6.7
69.07079	25.0
79.05486	78.0
79.05857	7.4
81.03435	36.5
81.07040	93.4
83.04990	12.0
83.08620	11.8
91.05465	63.4
93.07036	97.5
95.01328	9.6
95.05003	35.1
95.08603	64.0
105.07037	57.3
107.04958	17.4
107.08588	44.0
109.06550	8.6
109.10204	24.2
116.98923	6.7
117.07043	28.8
119.08641	36.1
121.06550	17.0
121.10175	35.3
123.11721	19.2
129.07005	11.3
131.08591	33.1
133.10162	33.9
135.11720	17.1
138.79401	8.0
143.08658	14.8
145.10175	31.3
147.04520	10.9
147.11769	16.7
149.13312	20.1
159.11723	21.6
161.13271	12.3
169.10202	19.6
171.11772	19.5
173.05899	7.6
173.13333	8.9
183.11768	8.5
185.13359	11.1
207.13728	17.9
225.01631	8.8
228.99730	8.1
231.17499	14.3
255.48157	9.8
261.14703	9.9
307.15353	11.8
307.22650	95.4
353.15973	9.9
427.19791	37.2
501.35727	52.2
609.03693	9.1
620.77716	9.0
659.37933	45.8
677.38684	60.2
750.63556	9.8
900.57373	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	875.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	6.2
81.07059	5.0
87.37949	2.3
91.70995	2.8
97.99166	5.6
98.97572	28.6
116.98602	14.6
128.98543	3.8
134.99667	5.9
140.00203	16.1
147.03346	4.7
150.49416	2.5
154.01700	2.9
157.01747	3.0
158.01216	5.8
158.99664	4.5
170.04922	4.1
173.01230	14.5
177.00780	4.3
179.79289	2.7
181.02824	4.9
182.05074	2.7
191.02252	12.2
195.35701	2.8
196.02777	21.4
197.52707	2.6
200.02290	9.4
204.14345	2.4
214.03920	11.5
215.09616	2.9
231.70033	2.5
235.10049	4.3
237.05434	7.4
238.03847	3.1
249.11780	3.3
253.11124	4.5
260.04208	2.8
274.14767	2.9
277.10895	15.2
290.14340	4.1
295.12119	41.5
313.13257	8.8
318.13770	59.4
336.14871	13.9
337.13419	4.0
347.62119	3.4
359.16394	15.3
457.17334	43.6
475.18280	28.2
498.20071	100.0
499.20450	4.5
548.26886	3.5
557.99207	3.6
875.39417	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	878.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
71.23346	3.2
71.37075	3.2
78.65188	3.6
81.03410	3.4
85.06541	12.3
91.05471	9.8
95.04940	6.5
103.05468	6.4
105.07055	3.8
122.03701	4.5
123.04430	3.8
131.04935	15.3
133.06459	4.6
137.05978	83.9
137.09610	4.2
139.01102	3.7
141.06989	7.5
144.05707	4.1
144.62621	3.5
151.07535	4.8
153.38286	4.1
157.06473	4.6
161.05972	8.4
163.07571	3.9
169.06458	7.2
175.07547	11.8
187.07532	8.5
189.09004	4.1
211.07544	4.9
225.08963	4.0
225.12694	6.6
229.08559	8.3
233.09731	7.1
243.13672	4.3
249.08990	5.9
259.13339	9.8
259.90344	4.1
261.09177	8.3
265.12323	6.1
273.14841	4.6
275.10651	4.5
276.07733	3.9
291.10022	8.1
309.14810	5.4
311.12665	5.0
345.14993	8.9
349.17896	12.3
377.17435	100.0
395.18542	76.2
413.19498	12.2
420.55237	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	878.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
73.35834	3.3
73.96840	3.5
82.76481	3.1
85.06531	8.4
86.59627	3.0
91.05468	10.8
91.71664	8.3
93.80328	3.3
95.04940	8.5
98.06871	3.4
103.05471	12.0
106.73689	3.6
107.04949	3.9
119.04943	6.9
122.03627	4.6
129.06982	5.5
131.04935	13.6
133.02888	4.4
133.06479	5.0
135.04434	6.3
137.05980	100.0
141.07016	3.7
161.05962	9.7
169.06493	5.0
175.07544	6.0
187.07521	16.9
199.07462	4.6
203.40173	3.9
211.07562	4.7
225.12683	5.3
227.07112	4.4
233.09583	4.2
259.13297	9.5
261.09009	5.0
263.10895	7.3
273.14883	4.6
275.10431	4.8
293.11728	6.5
305.11469	4.4
312.79337	4.0
349.18002	8.7
365.13834	5.0
377.17480	57.6
395.14856	5.3
395.18689	47.9
407.18555	4.2
413.19656	7.9
413.52390	4.4
501.18723	18.3
561.20813	9.5
751.56567	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	879.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
62.00170	3.8
63.62438	4.0
64.55392	3.5
67.05503	9.2
81.07053	10.5
84.96020	5.4
85.50335	3.9
91.05467	11.1
95.08550	4.9
97.99186	16.5
98.97601	10.9
105.06993	8.7
106.35670	4.8
116.00222	7.5
116.98618	7.9
119.08572	7.2
131.08574	8.2
134.99640	5.9
139.01826	25.4
140.00198	14.4
157.10120	7.4
158.01279	16.2
159.11682	9.5
161.13235	9.0
171.11723	9.2
181.02823	23.5
202.00266	7.6
207.11768	8.2
213.16286	7.4
241.35886	5.3
249.55962	5.6
255.21021	5.6
281.19028	21.2
307.13733	6.8
307.39078	5.2
309.15302	10.7
311.13416	8.3
311.16904	16.5
323.13242	8.4
327.16257	11.8
329.17804	27.0
334.18414	8.1
347.19077	7.5
350.17822	15.8
352.19424	29.1
355.15836	14.9
364.15811	7.0
373.16791	31.4
378.17426	17.2
391.17813	74.1
396.18472	72.7
414.19510	100.0
419.19998	71.3
420.19934	6.8
437.21158	63.3
438.19714	16.1
459.16925	7.1
460.22736	31.8
482.18320	27.3
500.19553	14.1
545.16663	7.1
632.24872	5.9
676.36310	17.4
717.38873	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	879.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	9.8
66.04283	4.8
67.05516	16.8
67.49403	5.2
69.03426	6.7
69.31300	4.9
69.91235	5.3
71.24519	5.3
73.35052	6.6
79.05483	14.9
81.03439	7.0
81.07070	14.8
85.02914	15.6
88.92346	6.6
91.03973	6.3
91.05501	7.2
93.07063	12.3
95.08630	10.6
97.02898	9.3
110.96999	5.5
121.10170	7.1
133.10085	7.0
150.71732	6.2
214.43944	6.2
215.79422	7.4
221.96809	6.2
238.49710	7.0
262.82813	5.8
491.26797	8.5
675.78259	7.1
726.37976	8.1
879.43024	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.435
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07012	14.3
84.91518	9.2
93.07031	10.0
97.02878	9.7
97.83024	8.9
105.07008	8.8
183.21144	10.5
223.60245	9.0
291.50635	9.4
700.19135	12.3
710.78571	15.1
879.43280	100.0
893.55676	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	880.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
75.83298	5.8
85.02911	11.5
109.13886	5.7
114.31045	5.4
121.20992	5.0
127.62462	6.2
129.07030	9.6
131.04962	18.7
137.05960	100.0
138.20963	5.7
169.41789	5.9
175.07666	22.7
187.07533	52.8
189.09270	17.5
217.08717	18.3
248.08464	7.6
263.11035	7.7
291.10226	14.0
307.41049	6.5
323.12985	18.7
341.13809	61.7
414.56128	7.8
597.14905	6.9
756.39783	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	880.344
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	3.0
65.03942	1.7
69.03419	7.9
73.46822	1.2
73.65355	1.0
81.03390	3.4
81.07078	1.2
85.02894	39.0
91.05491	1.4
91.76935	1.3
94.04181	1.6
97.02880	9.9
99.04427	1.3
103.05463	8.4
109.02911	3.0
109.06520	3.2
110.78095	1.1
117.06924	1.5
119.04996	1.4
122.03638	3.9
127.03912	7.6
128.06305	1.5
129.06984	8.6
131.04910	19.2
131.11778	1.3
137.05966	100.0
143.04880	1.8
145.04944	8.1
147.04408	2.8
149.06012	2.5
151.07573	3.2
153.05475	1.8
157.06476	5.7
160.05231	2.7
161.05963	1.5
163.06154	2.5
163.07550	5.8
172.05183	3.8
174.06729	8.0
175.07510	18.4
176.89487	1.3
179.07074	1.6
187.07520	54.1
187.09187	2.7
189.09102	21.6
197.08092	1.8
199.07506	2.0
201.09074	2.5
203.08574	4.3
204.08824	1.6
205.08635	2.6
217.08562	26.1
219.08109	4.7
220.08778	1.8
231.08083	6.1
233.89975	1.5
235.09697	1.7
247.07541	6.1
248.08195	6.2
251.10716	2.7
253.10777	2.6
259.07504	1.9
263.10571	8.3
264.07739	1.6
265.08640	2.8
270.08688	1.8
271.09634	2.8
276.07654	3.3
277.08594	1.8
279.10138	7.8
291.10089	15.0
293.08081	2.3
296.10611	2.9
311.12769	13.1
323.12720	22.4
325.14240	4.1
329.13681	2.7
341.13809	79.7
342.14111	1.8
359.14883	1.7
393.17313	1.7
398.62344	1.4
496.76132	1.9
503.19476	1.7
905.62177	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	880.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
63.47915	3.1
69.03413	12.3
73.39135	3.4
85.02904	19.7
86.13946	3.7
92.61257	3.2
97.02856	4.6
103.05466	5.2
114.99401	3.6
121.55696	4.3
124.04226	3.3
127.03896	9.4
129.06952	5.5
131.04890	8.7
137.05966	100.0
145.04962	4.9
174.06754	6.3
175.07559	15.1
187.07516	47.2
189.09116	17.3
195.51805	4.1
203.08621	4.9
205.08687	4.2
209.63387	3.9
211.89806	4.0
217.08614	17.7
221.09367	4.2
231.08134	11.1
248.08368	5.9
263.10635	6.8
279.10034	7.1
291.10184	15.9
311.12671	11.4
313.23874	4.3
323.12585	23.4
335.20853	4.0
341.13831	82.9
376.40814	4.3
722.73761	4.3
727.59558	4.8
872.69971	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	880.344
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	2.6
69.03413	9.9
81.03413	2.8
85.02893	39.8
85.84534	1.7
88.55089	1.7
91.05452	2.3
97.02879	9.4
99.04459	2.1
102.23941	1.5
103.05463	5.8
109.02883	3.5
115.56277	1.9
122.03625	4.7
123.14952	1.8
125.06018	2.4
127.03899	6.3
129.06999	6.9
131.04918	12.4
136.02145	1.9
137.05960	100.0
145.04973	9.8
145.06256	1.6
147.15685	1.7
157.06468	7.0
160.05199	4.3
163.06052	3.3
163.07538	5.1
172.05186	4.3
174.06743	7.0
175.07494	18.6
187.07520	51.9
189.09091	20.0
199.07526	2.2
201.09055	2.4
203.08539	3.6
204.08768	2.3
205.08586	3.5
217.08601	22.5
219.08037	5.2
231.08118	7.3
235.09558	4.3
247.07622	5.6
248.08301	5.2
253.10855	3.4
255.06548	2.1
263.10703	9.3
270.09012	2.7
271.09616	2.4
276.07751	3.2
279.10175	7.1
291.10068	14.9
296.10394	3.3
311.12729	11.8
323.12695	22.9
325.14417	4.0
341.09613	4.0
341.13797	81.6
342.14252	2.6
391.47498	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	882.6656
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	75.3
69.07047	9.5
70.27432	4.8
78.54868	4.4
79.05471	10.2
81.07047	82.8
83.08595	13.0
91.05453	9.8
91.37018	5.4
93.07032	20.6
94.23370	4.6
95.08593	81.4
95.91029	4.5
103.47431	5.9
105.07024	12.1
107.08604	18.7
109.10164	39.0
112.05464	4.9
114.83057	5.1
119.08584	6.7
121.10152	23.2
123.11715	15.3
133.10121	21.6
135.11702	16.8
137.13196	6.2
151.11195	9.2
166.91850	6.0
169.12273	6.5
215.17967	24.6
233.18993	16.2
250.61391	7.0
251.20024	100.0
269.21069	20.0
657.42004	6.2
711.42621	6.6
849.83362	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	883.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04557	100.0
76.85631	23.1
84.56324	21.5
97.21640	22.8
118.17805	22.7
121.91050	24.9
125.00236	23.8
141.58344	25.0
282.92950	26.2
336.90469	26.8
345.36615	26.2
421.19699	30.8
515.53137	35.5
671.20477	29.4
679.45874	31.1
883.47058	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
81.48275	19.9
100.54579	18.1
116.07108	23.8
131.78444	22.2
149.67601	18.2
692.53632	23.4
857.13751	27.7
885.29535	100.0
918.89355	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	887.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	2.7
71.01333	0.5
71.04982	17.7
73.02884	1.7
74.82276	0.4
75.04464	1.2
81.03404	0.5
83.04500	0.5
83.04976	9.5
85.02896	24.2
86.19010	0.5
87.04433	0.6
95.04938	1.3
97.02872	1.8
98.06075	0.7
99.04478	1.0
107.04938	0.5
109.02861	0.9
111.00784	0.9
111.04437	5.7
113.05976	0.5
117.05480	0.7
121.02849	1.8
123.87043	0.4
127.03878	1.0
129.05466	5.2
133.02867	0.6
145.04985	0.6
147.06514	1.2
153.01797	2.3
153.05479	1.6
162.96881	0.4
163.05971	1.1
165.01796	1.4
171.06516	0.7
188.09169	0.5
201.07582	0.6
207.48793	0.5
213.05403	0.6
239.09163	2.3
239.20746	0.4
241.04843	0.5
257.10266	1.1
258.05161	0.9
275.11282	0.9
275.32120	0.5
287.05475	100.0
288.05771	1.8
293.12155	0.8
299.05331	0.5
329.06516	1.6
388.91821	0.5
397.08719	0.5
409.39197	0.6
433.11139	0.8
449.10727	1.7
613.42377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	53.7
69.07053	43.6
79.05489	56.5
79.24439	10.1
81.03416	19.1
81.07053	70.4
91.05462	43.0
93.07035	50.7
95.01311	26.8
95.04970	15.0
95.08602	38.7
97.06513	18.6
105.07035	33.5
107.08569	27.1
117.07034	28.2
119.08588	29.1
121.10148	31.9
125.05989	83.1
128.06252	15.2
131.08513	21.0
133.10118	11.4
135.08127	16.6
135.11732	16.4
143.07004	26.0
145.10144	15.7
157.06549	20.6
159.08035	16.6
163.03899	17.3
163.07542	15.7
171.08064	28.1
175.07562	45.1
181.08514	13.4
184.07387	20.5
203.07022	37.6
217.08807	13.3
219.06570	22.0
223.02307	12.2
227.06918	25.4
232.79883	13.7
233.07967	15.0
243.79321	12.0
261.07678	19.6
275.09137	43.9
321.09607	89.8
335.25980	56.1
372.78568	14.4
395.13498	100.0
463.38126	15.1
607.33014	25.5
655.34259	35.2
673.35632	38.4
906.85571	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	81.8
67.05791	7.9
69.07072	19.2
74.61273	7.4
78.98999	7.4
79.05487	42.0
81.07045	96.7
83.08635	14.2
85.87231	6.5
91.03967	10.1
91.05500	28.3
93.07023	72.7
95.08585	44.9
97.06557	7.3
103.67894	7.9
105.07053	11.5
107.08607	45.1
107.49539	8.1
109.10178	15.7
117.07027	11.8
121.10190	26.4
131.08574	13.1
133.10168	7.9
135.11720	20.8
149.13303	28.5
159.11723	10.7
159.71147	7.7
195.13899	9.6
269.17416	100.0
282.44397	9.4
321.46552	8.9
335.25977	34.7
493.02982	9.7
529.38824	59.1
659.78760	10.7
789.78058	9.6
831.60620	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	888.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	81.8
67.05791	7.9
69.07072	19.2
74.61273	7.4
78.98999	7.4
79.05487	42.0
81.07045	96.7
83.08635	14.2
85.87231	6.5
91.03967	10.1
91.05500	28.3
93.07023	72.7
95.08585	44.9
97.06557	7.3
103.67894	7.9
105.07053	11.5
107.08607	45.1
107.49539	8.1
109.10178	15.7
117.07027	11.8
121.10190	26.4
131.08574	13.1
133.10168	7.9
135.11720	20.8
149.13303	28.5
159.11723	10.7
159.71147	7.7
195.13899	9.6
269.17416	100.0
282.44397	9.4
321.46552	8.9
335.25977	34.7
493.02982	9.7
529.38824	59.1
659.78760	10.7
789.78058	9.6
831.60620	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	888.6033
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	26.4
69.21992	16.0
71.04214	17.0
81.07037	36.5
93.07029	34.2
94.51221	17.3
95.08587	88.3
97.06508	32.1
97.10116	25.5
99.08096	32.4
105.07027	32.4
107.08599	51.1
109.10133	50.4
113.09621	43.5
119.08577	22.4
121.10131	18.0
123.08050	55.6
123.11674	44.7
125.09629	40.3
141.09116	45.0
161.09657	39.8
165.12764	38.0
179.10611	26.1
217.31274	22.0
344.81137	21.3
395.28357	26.5
427.28180	25.0
445.29523	100.0
583.02277	24.6
799.52832	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
64.10078	7.8
65.35387	7.2
67.05499	92.6
69.07067	16.5
79.05492	55.2
81.03429	16.5
81.07047	63.4
83.08594	16.3
83.56530	8.2
91.05481	46.1
91.71719	12.5
93.07052	76.4
95.04960	14.4
95.08603	34.4
105.07028	29.7
106.55254	8.2
107.04953	10.9
107.08610	20.2
109.10153	31.6
117.07008	12.8
119.08608	28.2
121.10153	23.6
129.06993	16.0
130.50697	9.7
131.04959	16.2
133.10155	23.4
135.04395	14.3
135.11720	15.7
138.98193	9.2
145.10066	13.2
147.04491	10.9
157.10097	10.6
163.03990	10.1
233.19028	16.7
281.30969	10.2
287.12796	12.3
299.51419	12.0
307.22617	100.0
315.12131	12.8
333.13443	19.5
402.16034	11.9
407.16953	16.6
425.17999	21.2
571.17950	11.5
639.35144	28.8
657.36444	24.6
675.37164	40.5
713.67218	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
64.10078	7.8
65.35387	7.2
67.05499	92.6
69.07067	16.5
79.05492	55.2
81.03429	16.5
81.07047	63.4
83.08594	16.3
83.56530	8.2
91.05481	46.1
91.71719	12.5
93.07052	76.4
95.04960	14.4
95.08603	34.4
105.07028	29.7
106.55254	8.2
107.04953	10.9
107.08610	20.2
109.10153	31.6
117.07008	12.8
119.08608	28.2
121.10153	23.6
129.06993	16.0
130.50697	9.7
131.04959	16.2
133.10155	23.4
135.04395	14.3
135.11720	15.7
138.98193	9.2
145.10066	13.2
147.04491	10.9
157.10097	10.6
163.03990	10.1
233.19028	16.7
281.30969	10.2
287.12796	12.3
299.51419	12.0
307.22617	100.0
315.12131	12.8
333.13443	19.5
402.16034	11.9
407.16953	16.6
425.17999	21.2
571.17950	11.5
639.35144	28.8
657.36444	24.6
675.37164	40.5
713.67218	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97122	9.6
67.05495	65.9
68.74940	7.1
69.07050	21.4
69.96507	7.4
74.68498	6.8
76.91814	7.4
79.05502	43.0
79.76821	8.3
81.03417	31.3
81.07047	100.0
83.08617	11.4
85.02870	9.9
91.05460	51.3
91.24031	9.1
91.71639	17.9
93.07043	60.7
95.01329	18.5
95.04959	19.1
95.08600	62.4
97.02917	10.4
105.07026	33.5
107.04952	16.3
107.08582	17.9
109.02871	8.5
109.10153	31.8
117.07031	9.6
119.08584	43.0
121.10178	17.3
123.04413	8.5
128.60913	9.2
129.06955	10.8
131.08565	28.4
133.10172	10.3
135.11688	17.5
137.65652	9.1
143.54594	9.5
147.04469	9.4
147.08052	12.7
149.09576	10.8
157.10196	11.7
159.07996	16.3
173.05948	20.3
175.03873	8.7
189.09065	10.5
205.08644	14.7
217.65892	8.9
231.10220	9.7
245.44687	9.3
259.09647	11.1
261.22125	20.6
287.09073	21.2
335.25906	69.0
336.01141	9.8
377.60818	9.0
379.13867	28.6
397.15118	17.3
415.16223	24.5
591.62396	10.9
592.47113	9.2
639.35211	19.1
657.36200	31.8
675.36951	34.9
688.33722	11.8
751.38739	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	896.5642
Annotation	Unknow
Peak:m/z	Relative Intensity
65.39967	4.8
67.05493	39.1
69.07053	20.4
73.15854	4.4
79.05482	7.4
79.30296	5.6
81.07047	40.2
83.08608	10.4
91.05475	10.6
93.07040	8.8
95.08586	29.4
97.14432	6.0
98.98447	12.6
105.07061	6.9
107.08606	8.1
109.10096	7.3
121.10100	9.4
135.11630	6.7
161.43137	5.7
190.59761	5.5
212.61894	6.2
222.81807	6.7
263.23810	7.8
306.27866	12.9
337.27353	100.0
460.28116	47.6
478.29141	69.6
688.15192	7.3
811.55933	6.9
894.57245	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	898.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	100.0
69.07065	34.3
79.05486	60.2
81.07046	84.2
83.08614	15.8
85.02888	35.3
91.03942	31.7
91.05476	44.5
92.32127	12.0
93.07032	91.3
95.08589	71.7
97.02887	17.5
105.07037	27.9
107.08614	26.7
109.10139	14.2
117.06993	12.2
119.08579	33.0
121.10144	46.1
123.11655	18.8
131.08572	23.6
133.10110	36.1
134.12085	13.1
135.11714	43.9
141.15500	13.2
145.10182	17.5
147.11710	28.3
153.68750	14.4
159.11687	15.8
215.17838	21.5
230.95314	13.9
235.93857	13.5
307.22733	98.1
309.24411	15.5
515.05487	16.4
555.90607	18.3
557.41956	23.7
618.90839	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
65.71471	2.4
68.99799	10.3
75.42682	2.4
79.03222	2.5
81.03410	6.1
84.29101	2.5
88.16998	2.7
88.85299	2.5
91.05466	2.6
91.71741	3.9
94.87531	2.8
105.03442	2.8
109.02890	4.5
111.00777	17.9
121.02948	3.6
123.04403	37.1
127.03910	100.0
133.02925	4.8
135.04442	6.9
139.03883	89.5
147.04446	9.8
149.02301	4.5
151.03889	50.8
155.03442	5.2
159.04465	3.5
161.02403	4.4
161.06024	3.8
163.03955	11.1
165.05586	5.5
167.03363	3.0
169.04999	4.0
171.04482	3.7
175.03845	15.8
177.05554	10.8
179.03384	66.7
189.05511	6.8
191.03380	13.9
193.05130	4.9
199.03906	4.1
201.05472	5.0
203.03383	25.2
213.05547	6.6
217.05032	8.5
229.05093	5.0
233.04445	3.7
245.04425	87.6
247.06012	4.7
257.04395	13.8
259.06186	4.8
263.05423	36.9
269.04575	4.8
271.06015	6.1
273.18994	3.1
275.05432	23.7
287.05484	50.8
289.07123	3.6
291.08466	15.3
299.05542	18.4
305.06454	20.2
317.06729	10.0
405.06308	5.4
413.08661	6.9
423.07162	22.0
425.08603	11.7
435.06995	4.3
441.08438	8.2
443.09683	8.0
453.07825	5.1
634.34851	3.6
660.23999	3.7
696.26526	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	899.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
76.08818	6.0
77.63531	4.4
109.02898	7.2
111.00801	19.0
123.04433	44.9
127.03905	100.0
133.02879	7.1
139.03900	70.1
147.04442	9.8
151.03909	45.7
155.03427	11.8
163.03986	7.0
165.05478	5.8
169.04962	6.7
175.03941	16.3
177.05533	6.9
179.03374	59.7
191.03406	8.2
199.99660	4.8
203.03360	25.8
217.04958	6.9
245.04431	89.2
257.04437	12.1
263.05478	36.9
275.05609	24.3
279.61276	7.3
287.05481	47.2
291.08536	15.4
299.05423	10.2
305.06488	25.2
423.06989	18.8
425.09027	7.7
441.08514	10.1
443.09424	10.7
459.80191	6.0
692.53455	6.5
756.30176	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	902.509
Annotation	Unknow
Peak:m/z	Relative Intensity
63.86717	2.3
67.05492	76.8
69.03387	3.6
69.07059	17.5
71.04984	2.8
79.05479	39.9
81.03383	6.6
81.06594	5.0
81.07045	65.4
81.62389	2.2
83.04994	6.9
83.08593	14.7
85.02898	4.8
91.03947	3.1
91.05465	25.9
93.07037	72.7
95.04955	13.3
95.08591	70.7
97.02876	6.1
97.06506	7.2
97.10148	6.4
99.04453	4.7
103.76613	2.6
104.68295	2.4
104.84040	2.4
105.07034	17.8
106.89781	2.3
107.04947	6.9
107.08595	42.6
109.10143	17.7
117.07024	13.1
117.38618	2.5
118.03079	2.6
119.08564	14.7
121.06498	7.2
121.10124	20.9
123.11711	7.2
125.05959	4.1
125.79009	2.4
131.08553	9.0
133.10144	7.7
135.08017	4.3
135.11681	55.9
135.44769	2.7
143.08557	3.3
145.10129	28.1
149.13235	6.1
159.11711	3.2
163.11172	57.6
163.14812	3.3
163.38667	2.6
181.12231	9.1
207.13904	2.6
227.12750	53.2
261.22192	8.4
283.15363	52.3
307.15598	3.0
335.25769	100.0
336.25970	4.0
427.19260	6.3
448.42691	3.5
521.89819	3.1
529.37823	5.8
543.36786	90.6
705.41473	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	902.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	98.4
69.07047	27.3
71.04969	9.2
75.54797	7.3
79.05483	38.0
79.41512	6.1
81.03406	28.4
81.07037	100.0
83.04971	13.8
83.08604	11.2
87.73397	7.1
88.89043	7.0
91.05469	45.8
92.33214	7.1
93.07026	78.6
95.04958	26.6
95.08591	67.4
105.07059	35.4
107.08588	49.0
109.10168	25.1
117.07025	17.2
119.08579	42.3
121.06509	13.3
121.10142	18.0
123.11655	9.7
129.06985	15.4
131.08569	26.0
133.10191	19.3
135.11694	25.1
137.53967	7.1
143.08553	15.0
145.10092	22.4
147.04379	13.5
147.11722	17.5
155.08485	7.7
159.11700	19.8
161.13251	10.7
163.11171	17.0
171.11693	13.9
177.12747	10.4
207.13817	20.6
227.12662	11.0
231.20525	7.8
261.14807	10.5
282.33401	6.9
283.15518	12.8
289.14221	15.3
307.15399	14.8
333.24249	8.0
335.25812	69.7
427.19501	24.0
465.25446	8.0
488.98166	7.9
529.38953	37.8
543.36652	21.1
585.61334	7.8
687.40741	31.1
705.41779	41.1
713.46930	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	903.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
63.35136	0.4
65.03927	1.3
69.03413	1.1
71.04965	1.4
81.03406	3.8
83.04959	1.9
85.02888	2.4
91.05475	8.4
95.04981	0.5
97.02888	1.9
107.04938	2.5
109.02850	1.5
111.04417	1.2
119.04937	22.4
121.02869	0.9
123.04395	0.9
147.04405	100.0
148.04703	1.3
151.03899	1.6
153.01822	0.8
156.98027	0.4
157.95348	0.4
165.05466	5.0
169.05028	0.8
172.73251	0.5
187.07603	0.6
257.08008	2.3
287.05478	21.3
291.08624	1.8
293.09836	0.5
309.09647	2.2
313.58185	0.5
321.42584	0.5
329.06702	0.7
449.10840	3.4
756.22070	0.5
882.07922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	0.8
67.05482	0.4
69.03425	2.1
70.35808	0.2
71.04974	0.9
76.18820	0.2
76.53927	0.2
81.03411	2.6
83.04967	3.6
85.02898	2.4
87.71994	0.2
91.05473	6.4
91.06040	0.4
95.04956	0.6
96.02135	0.2
97.02884	1.4
99.04446	0.5
107.04948	3.5
109.02888	1.2
109.03545	0.2
111.04433	3.6
119.04939	19.1
120.05257	0.2
121.02859	0.5
121.32898	0.2
122.36888	0.2
123.04403	0.5
127.03918	1.2
129.05486	0.7
133.06544	0.3
143.21524	0.2
147.04404	100.0
148.04747	1.0
151.03897	1.1
153.01776	0.3
161.05951	0.5
165.05502	1.2
169.04962	0.5
169.06342	0.2
173.05939	0.2
187.07562	0.5
195.08095	0.2
211.07629	0.3
213.09160	0.4
215.07005	0.3
222.72151	0.2
229.08662	0.4
237.07487	0.3
239.06944	0.3
239.90309	0.2
257.08087	2.0
275.09116	0.3
287.05469	7.8
291.08643	2.5
293.10211	0.5
309.09680	3.8
329.06625	0.6
419.13269	0.3
433.11075	0.3
471.14645	0.8
682.52667	0.2
869.06671	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	903.276
Annotation	Unknow
Peak:m/z	Relative Intensity
63.29072	0.4
63.76860	0.4
64.33318	0.4
65.58664	0.4
67.05482	1.0
69.03423	4.1
71.01364	0.6
71.04980	19.5
73.02897	1.5
75.04444	1.1
76.55970	0.5
79.05498	0.5
80.90345	0.4
81.03383	0.7
83.04498	0.6
83.04967	8.7
85.02893	28.3
86.16654	0.5
87.04450	1.0
91.73705	0.5
95.04954	1.9
97.02879	1.5
98.06080	0.6
99.04423	1.5
109.02892	1.2
111.04436	7.0
113.05988	0.9
117.05423	1.0
119.65299	0.5
121.02869	0.8
123.04439	0.6
127.03915	1.3
129.05466	5.9
137.02341	2.5
147.06496	1.2
153.01756	2.3
153.05438	2.2
157.05000	0.6
159.06493	0.6
159.22237	0.5
163.03835	0.6
163.06039	0.8
165.01801	1.4
171.06566	0.6
201.05466	0.5
229.04945	3.3
239.09091	1.7
247.05980	1.0
257.04352	2.4
257.10077	0.9
274.04846	0.8
275.11224	1.2
285.03690	0.8
293.12143	0.9
303.04947	100.0
304.05289	1.4
345.05960	1.9
431.09775	0.7
449.10764	2.5
465.10336	2.4
520.00970	0.7
849.37219	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2757
Annotation	Kaempferol 3-glucosyl-(1->3)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)-galactoside]
Peak:m/z	Relative Intensity
68.99777	0.8
69.03397	2.7
71.04615	1.1
71.04981	16.9
73.02898	1.1
75.04452	1.8
79.05517	0.6
81.03404	1.0
83.04974	10.4
85.02896	26.7
86.06026	1.0
87.04474	0.8
95.04927	1.3
97.02873	2.4
99.04411	0.7
107.04922	0.9
109.02848	0.9
111.04442	5.5
121.02869	3.7
127.03920	1.4
129.05466	8.2
133.02829	0.7
137.02283	1.0
137.43248	0.5
147.04417	1.0
147.06546	2.8
153.01830	5.9
153.05380	1.2
165.01784	2.2
183.02992	0.8
188.09242	0.8
213.05502	1.5
231.06564	0.9
239.09000	1.3
241.05054	1.0
255.08655	0.8
257.10333	0.7
258.05286	1.2
275.11285	1.1
287.05475	100.0
288.05994	1.6
293.12201	0.9
299.05496	0.9
311.05453	1.1
329.06528	4.5
353.06534	0.9
368.06308	0.6
379.07965	0.9
397.09058	1.6
415.10370	1.6
433.11307	2.9
524.70532	0.6
684.69830	0.7
916.82568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2768
Annotation	Kaempferol 3-glucosyl-(1->3)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)-galactoside]
Peak:m/z	Relative Intensity
69.03413	1.6
71.01329	0.4
71.04985	14.6
71.88100	0.3
73.02888	1.1
75.04460	0.5
77.22987	0.3
81.03400	1.0
82.38892	0.2
83.04974	2.7
83.78333	0.3
85.02900	19.8
86.06062	0.3
87.04443	0.6
88.64816	0.7
95.04942	0.5
97.02876	1.0
98.06016	0.4
99.04422	0.8
107.04901	0.3
109.02858	0.6
111.04481	1.5
121.02849	1.8
127.03909	1.0
129.05482	3.4
133.02823	0.3
137.02309	0.5
145.04971	0.6
147.04385	0.4
147.06517	1.2
153.01823	1.7
153.05400	0.4
162.24754	0.3
165.01816	0.8
183.02832	0.4
199.16507	0.3
213.05466	0.7
239.09201	0.3
241.04906	0.5
258.05188	0.3
287.05481	100.0
288.05710	1.9
294.08258	0.4
329.06467	0.9
353.06564	0.4
409.39316	0.3
433.11124	0.7
449.10776	24.4
450.11032	0.6
529.97583	0.3
805.76849	0.4
888.22333	0.3
907.51172	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.507
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	17.8
69.03418	8.0
73.02907	5.9
73.88489	3.9
79.05497	7.5
81.03385	5.4
81.07053	15.2
85.02867	11.2
91.05487	5.0
93.07050	10.1
95.08610	7.9
97.02872	7.2
101.02397	4.8
104.35925	4.6
107.08611	6.7
109.10138	4.3
110.73443	3.9
133.10164	7.2
200.30534	4.4
215.37730	4.4
390.71866	6.0
431.29819	5.4
491.26221	10.4
575.43170	5.6
653.31244	16.5
656.62482	5.6
903.50604	100.0
904.50525	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	905.6792
Annotation	Unknow
Peak:m/z	Relative Intensity
65.44662	1.4
65.81949	1.4
67.02787	1.4
68.46640	1.5
69.07043	1.6
75.93102	2.0
82.06586	5.8
83.04981	2.0
83.08605	22.2
87.28271	1.6
91.71720	3.1
98.09692	3.5
100.07622	8.2
100.11246	100.0
110.06017	2.8
111.04430	11.1
112.07603	4.4
117.13915	2.2
126.09164	2.9
127.08701	3.3
128.07039	8.9
135.47171	1.7
139.08699	4.3
140.07089	6.5
182.15384	40.7
209.16466	34.1
210.14867	51.2
226.19215	7.5
227.17505	3.7
228.16080	6.2
241.91232	1.9
274.41788	1.8
309.25232	2.7
326.28134	5.4
336.22903	3.6
337.21066	2.5
343.30582	2.2
421.29758	2.0
435.33374	2.5
453.34543	2.7
551.37378	2.3
668.73193	2.4
887.66931	5.7
905.67859	61.5
906.68158	2.1
909.50250	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	907.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
69.05531	11.3
70.54029	13.1
81.07045	19.1
91.11445	14.8
91.71817	22.3
95.08614	16.3
137.95680	16.0
166.82721	17.9
178.29681	15.3
493.01569	16.9
714.64618	18.0
907.46179	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
64.54715	5.0
67.05498	10.4
69.03414	6.9
71.01360	4.7
73.02883	6.3
76.19945	4.9
78.53403	5.2
79.05477	7.0
81.07042	10.8
85.02885	13.7
91.03966	9.9
95.08594	9.4
97.02890	14.3
101.02348	5.7
105.63248	6.4
107.36247	5.4
245.53806	6.4
249.11035	10.7
301.73203	7.8
455.20819	7.3
519.29663	8.0
569.26233	8.3
851.60565	8.1
907.46509	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04247	2.6
67.05499	22.7
68.05013	7.0
69.03413	7.3
69.05813	4.4
69.07063	4.2
73.02886	3.6
77.63450	2.0
79.05487	20.3
81.03408	6.8
81.07043	15.3
85.02898	9.0
90.72763	1.9
91.05488	13.2
93.07047	17.6
95.04951	5.6
95.06091	8.1
95.08598	9.5
97.02882	8.1
100.02161	3.6
101.02339	2.4
105.07034	9.0
107.08593	5.6
109.02879	4.2
109.10170	3.9
113.01680	12.7
114.02488	5.5
119.08562	4.4
121.10152	5.2
125.01694	3.0
126.02486	21.2
127.03252	74.7
128.04105	2.7
129.04794	5.5
131.08545	2.6
133.10120	3.0
135.11691	4.0
139.03250	3.5
141.04684	2.3
143.02740	5.0
144.03543	5.9
145.04285	31.9
153.04774	3.8
165.04826	2.7
183.05922	3.9
185.09850	18.5
190.05611	3.2
192.98438	2.6
201.07014	3.4
207.06078	2.5
207.51860	2.5
210.66437	2.3
219.08017	4.0
301.13928	2.8
319.14737	13.0
337.15607	18.3
393.18579	5.4
411.19568	7.6
561.90118	2.5
643.37537	6.1
687.36060	2.9
702.44580	11.9
746.44196	4.3
805.42773	3.7
864.50360	100.0
865.50140	4.2
908.49158	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	915.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
63.73049	1.2
63.83861	1.3
65.03943	1.3
67.57983	1.2
68.17490	1.4
68.99784	8.5
74.89584	1.5
81.03397	3.2
85.02897	1.9
95.04979	2.6
109.02877	8.6
111.00784	12.9
111.04401	2.7
112.28004	1.5
113.92793	1.5
121.02834	4.4
123.04423	21.3
127.03905	100.0
133.02838	7.1
135.04431	3.4
139.03894	83.6
147.04417	6.7
149.02338	2.8
151.03883	48.9
153.01840	2.1
155.03386	7.8
159.04384	2.2
161.05972	2.9
163.03893	7.0
165.05475	1.8
167.03389	3.6
171.04323	2.3
173.05948	2.2
175.03880	11.4
177.05461	6.8
179.03377	55.4
181.04933	4.2
185.06024	2.4
189.05443	5.1
191.03336	7.5
193.05054	2.7
199.03877	5.2
201.05428	4.7
201.48364	1.6
203.03352	17.7
213.05504	4.6
217.04956	7.9
223.02411	2.2
227.03427	2.0
229.04944	5.5
233.04454	4.4
241.04848	2.7
245.04416	29.0
251.05495	2.0
253.05029	2.1
257.04428	15.8
259.06104	2.2
263.05457	43.3
269.04449	5.2
271.06024	3.4
275.05496	13.6
281.04385	2.0
283.05826	2.4
287.05469	47.2
287.79495	1.9
289.07407	1.9
299.05490	11.8
305.06528	18.7
307.08109	9.8
317.06458	13.7
393.05884	3.6
399.07059	4.2
405.05957	4.2
423.07181	6.4
425.08679	12.4
435.07306	2.4
441.07938	7.6
443.09802	23.0
549.09100	3.4
561.10522	4.6
573.09576	3.0
708.80701	1.9
836.84412	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	915.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	2.2
68.99791	6.9
71.57841	1.7
81.03401	6.6
83.98138	2.2
85.77287	2.2
101.68147	2.5
109.02884	6.6
111.00800	20.2
111.04392	2.8
113.07153	2.2
113.96790	2.0
121.02846	3.5
123.04419	17.0
127.03908	87.9
133.02843	5.2
135.04407	5.2
139.03893	100.0
139.04977	5.0
147.04385	6.7
148.31979	2.8
149.02434	3.4
151.03896	50.4
155.03401	7.0
161.05981	3.1
163.03879	10.8
165.05463	3.0
169.04915	3.2
171.04462	3.1
175.02621	2.3
175.03807	13.8
177.05487	11.7
179.03397	60.7
181.04980	4.4
189.05508	6.6
191.03438	9.5
193.04973	3.9
199.03906	5.2
201.05437	4.8
203.03406	21.6
213.05521	7.6
215.03351	2.3
217.04955	6.0
219.06535	3.1
229.04883	5.1
231.06506	2.6
233.04471	3.5
241.04884	5.6
245.04420	87.6
257.04477	15.6
259.06033	5.4
263.05457	39.2
269.04419	5.4
271.05966	3.7
275.05539	19.2
287.05469	48.6
299.05438	15.8
305.06427	17.9
307.08090	13.3
317.06537	10.4
413.08621	6.6
423.07181	12.5
425.08502	15.4
426.20416	2.8
441.08185	8.4
443.09753	13.6
465.08130	4.3
504.07990	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	915.197
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.7
68.53154	1.6
68.99773	7.2
70.17134	1.4
81.03402	5.4
95.04942	2.5
100.73042	1.4
107.04939	1.9
109.02867	8.5
111.00789	14.8
111.04419	1.8
119.04911	2.7
123.04416	18.1
127.03909	100.0
133.02844	4.6
135.04424	4.1
137.02415	2.0
139.03891	92.8
141.54651	1.7
145.47484	1.6
147.04407	8.8
149.02315	3.0
151.03896	46.2
155.03386	7.0
157.06583	2.2
159.04471	2.2
163.03903	7.9
165.05498	1.7
169.05005	2.0
171.04344	3.3
173.05904	2.0
175.03911	15.3
177.05487	7.3
179.03378	57.9
179.04634	2.0
181.04985	3.2
185.05994	2.0
189.05476	4.4
191.03412	6.3
193.04892	3.6
199.03874	3.0
201.05440	3.8
203.03384	21.8
205.05000	2.3
213.05498	5.6
215.03215	2.6
217.04938	6.2
223.02335	3.6
229.04980	3.8
231.06444	2.2
236.73520	1.6
241.04941	5.0
245.04428	43.3
257.04395	12.3
259.05954	2.0
263.05530	31.6
269.04395	3.2
271.06161	2.2
275.05423	12.1
277.07126	2.3
287.05481	47.7
299.05496	11.6
301.06808	1.9
305.06543	21.0
307.08115	13.1
310.26807	1.8
317.06427	10.0
329.06613	2.3
393.05847	2.1
413.08441	2.2
423.06866	8.2
425.08606	14.0
435.07086	2.2
441.08298	8.5
443.09875	12.9
465.08319	2.5
467.09732	2.5
485.10657	3.0
561.10992	1.9
868.64325	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	915.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	0.5
68.99779	0.9
69.03407	0.7
70.06578	0.8
71.04977	0.7
79.05482	0.5
81.03386	1.5
83.04970	2.3
84.04495	0.7
85.02899	2.8
91.05467	2.3
95.04971	0.7
97.02887	1.3
103.05412	0.5
105.03415	0.5
107.04955	1.5
109.02875	1.0
111.04428	2.0
119.04935	4.3
120.08024	0.4
121.02853	4.6
127.03899	0.9
129.06929	0.6
131.04930	0.7
133.06494	1.7
137.02344	1.1
147.04405	17.5
153.01826	6.0
157.06485	0.9
159.04387	1.7
161.05951	0.8
165.01831	2.5
171.04457	0.5
177.05428	0.8
183.02873	1.4
185.05914	0.8
189.05409	0.8
195.08086	0.7
197.05988	1.0
211.07527	1.0
213.05452	1.8
219.06427	0.7
226.05559	0.6
239.06970	1.5
241.04907	0.8
258.05106	1.1
259.06024	0.6
267.06403	0.6
285.07407	0.6
287.05469	100.0
288.06021	0.9
303.08560	1.0
321.09686	0.9
329.06375	0.9
433.11295	0.7
660.14209	0.6
671.39465	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	0.5
68.99779	0.9
69.03407	0.7
70.06578	0.8
71.04977	0.7
79.05482	0.5
81.03386	1.5
83.04970	2.3
84.04495	0.7
85.02899	2.8
91.05467	2.3
95.04971	0.7
97.02887	1.3
103.05412	0.5
105.03415	0.5
107.04955	1.5
109.02875	1.0
111.04428	2.0
119.04935	4.3
120.08024	0.4
121.02853	4.6
127.03899	0.9
129.06929	0.6
131.04930	0.7
133.06494	1.7
137.02344	1.1
147.04405	17.5
153.01826	6.0
157.06485	0.9
159.04387	1.7
161.05951	0.8
165.01831	2.5
171.04457	0.5
177.05428	0.8
183.02873	1.4
185.05914	0.8
189.05409	0.8
195.08086	0.7
197.05988	1.0
211.07527	1.0
213.05452	1.8
219.06427	0.7
226.05559	0.6
239.06970	1.5
241.04907	0.8
258.05106	1.1
259.06024	0.6
267.06403	0.6
285.07407	0.6
287.05469	100.0
288.06021	0.9
303.08560	1.0
321.09686	0.9
329.06375	0.9
433.11295	0.7
660.14209	0.6
671.39465	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	6.6
68.02084	1.1
69.07049	1.2
70.06583	2.4
74.23269	1.0
79.05481	1.8
80.43758	1.1
81.05746	1.0
81.07038	6.0
82.95801	1.0
83.08615	1.8
89.18522	1.0
94.06590	1.4
95.08586	8.2
98.24189	1.1
106.06540	2.7
107.07325	14.1
109.10147	2.4
116.77156	1.2
122.06043	3.0
122.09663	100.0
136.07567	9.2
150.09145	14.7
152.40907	1.1
163.96208	1.1
165.03134	1.3
229.09741	1.5
254.24916	1.6
257.09213	4.3
268.26355	1.9
280.26202	5.5
298.27441	8.3
299.10199	2.4
313.11884	3.0
316.28445	29.1
317.11255	7.4
329.11389	3.4
330.11987	1.5
331.13138	1.6
402.94974	1.4
452.18240	11.0
452.72687	1.3
573.27484	5.2
601.26526	25.7
602.26367	1.5
653.64948	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	917.291
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	0.5
69.03428	3.9
71.04620	1.2
71.04983	17.7
71.32763	0.5
73.02894	1.8
75.04465	1.2
75.75848	0.5
77.35438	0.6
77.88911	0.5
78.44414	0.4
79.05489	0.7
79.90685	0.4
81.03407	1.0
83.04971	9.5
85.02896	27.0
86.06036	0.5
87.04465	0.8
89.12028	0.6
92.02635	0.8
93.03382	0.8
95.04932	1.5
97.02886	1.3
99.04438	1.8
109.02901	0.9
111.04448	6.3
113.06002	0.8
117.05487	0.9
121.02857	0.6
127.03909	1.4
129.05464	6.4
139.03868	1.2
145.04958	0.8
147.06508	1.7
151.03801	0.7
153.01825	5.4
153.05438	1.1
163.06009	1.2
171.06557	0.6
201.05519	0.6
228.04059	0.6
229.04860	1.5
239.09160	2.6
246.05190	1.1
257.04395	1.4
257.10101	0.9
273.03946	0.9
274.04630	2.6
275.11334	0.7
285.03879	2.8
293.12234	0.6
302.04218	9.8
317.06516	100.0
318.06790	1.6
329.06467	0.7
359.07620	1.3
427.10220	0.8
440.35211	0.6
463.12396	1.1
479.11774	1.6
593.30725	0.6
673.76166	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
88.41599	8.5
98.24049	9.6
146.83391	9.5
151.53798	9.4
350.80371	11.3
542.53705	12.0
561.06689	12.6
619.35950	11.1
758.79443	12.0
854.97882	11.5
917.53613	100.0
948.38660	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	918.442
Annotation	Unknow
Peak:m/z	Relative Intensity
64.86006	5.7
66.54211	5.9
72.08137	15.2
76.02220	9.8
85.03996	7.2
86.09700	100.0
102.54396	6.8
103.89998	6.9
116.58957	6.7
147.07693	7.8
149.35394	6.7
157.13373	10.0
162.02164	8.4
177.03372	11.4
185.16438	9.1
202.92911	8.3
231.04449	26.9
268.81586	8.6
360.94186	8.1
412.85925	9.7
473.86349	8.5
520.37549	8.4
601.27118	8.8
863.23413	10.6
918.43396	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	918.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
64.06135	2.9
69.07063	2.5
71.70878	2.8
72.08139	25.0
75.17585	2.8
76.02242	8.6
78.53455	2.6
81.03387	3.4
84.04505	4.7
86.09689	100.0
107.99387	3.7
112.11240	3.1
130.05043	12.5
131.04581	5.8
140.28381	2.9
141.10257	4.3
154.15944	3.6
157.13409	10.6
162.02234	5.0
173.07469	5.3
177.03357	12.9
179.04851	7.4
183.11359	3.5
185.03862	8.7
185.12883	7.4
185.16583	5.9
199.07150	5.1
211.02126	4.5
213.15897	4.8
231.04321	21.2
231.06265	3.8
235.02051	7.0
259.05804	5.6
265.03152	4.7
282.18396	4.0
288.06833	3.5
308.09055	4.7
353.21619	3.7
355.35147	3.9
613.37714	5.0
644.90631	3.2
688.45728	3.7
789.40076	13.2
843.40399	10.0
918.44086	16.4
919.45148	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	919.248
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.4
65.81284	0.4
67.05485	0.8
67.20705	0.4
69.03414	1.7
71.04993	1.0
72.33593	0.4
81.03410	2.5
83.04958	3.5
85.02895	3.3
91.05470	8.2
91.71695	0.7
92.65644	0.4
95.04945	0.5
97.02882	1.9
99.04428	0.4
107.04955	3.2
109.02876	0.6
111.04442	3.7
119.04935	17.2
120.56057	0.4
121.02930	0.5
123.04346	0.5
127.03903	1.1
129.05443	0.8
137.02309	0.5
138.55379	0.4
147.04401	100.0
148.04752	1.3
151.03833	0.5
161.05977	0.7
163.98056	0.4
165.05453	0.6
169.04956	0.5
172.72433	0.4
183.02763	0.5
188.79544	0.5
215.07047	0.7
224.32753	0.6
229.04967	0.5
257.08005	2.9
291.08447	2.6
303.04944	10.0
309.09592	3.4
345.05920	1.1
413.08652	0.6
419.13000	0.7
449.10504	0.6
471.14981	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2504
Annotation	Quercetin 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Peak:m/z	Relative Intensity
65.03916	0.9
67.65519	0.2
69.03410	1.2
71.04974	1.2
75.68592	0.3
81.03404	3.0
83.04967	2.1
85.02901	1.9
91.04913	0.5
91.05470	9.0
97.02879	1.7
99.04395	0.4
107.04946	2.1
109.02873	1.3
110.23985	0.3
111.04414	1.5
119.04932	20.5
120.05254	0.4
121.02863	0.4
123.04406	0.4
127.03916	0.8
129.05460	0.4
135.11966	0.3
137.02313	0.7
147.04399	100.0
148.04718	1.0
151.03926	1.5
153.01839	0.5
156.43384	0.3
161.05995	0.6
165.01790	0.4
165.04123	0.5
165.05464	5.5
169.04973	0.4
197.05804	0.4
213.09126	0.4
229.04866	0.6
257.05472	0.3
257.08026	2.1
275.09213	0.3
285.03711	0.3
291.08618	2.5
293.10034	0.3
303.04941	20.1
304.05402	0.4
309.09598	2.1
345.05893	0.8
449.10565	0.5
465.10089	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	919.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
66.74846	1.7
68.00233	1.7
69.03413	6.6
71.04987	32.3
80.48486	1.8
81.03403	2.1
82.98444	1.5
83.05002	9.2
85.02891	50.2
85.76069	2.0
86.06046	1.6
97.02895	5.5
98.97607	2.3
109.02863	2.1
111.04453	4.0
127.03969	2.5
129.05484	11.8
137.02344	4.6
140.00168	4.1
147.06412	2.6
153.01808	5.4
161.01216	3.4
184.02890	3.8
200.02319	3.7
229.04939	3.5
242.03352	3.0
263.01910	2.0
268.11301	2.2
287.05469	65.5
288.05817	7.8
303.04953	100.0
345.06137	2.2
361.02249	8.1
379.03366	3.0
384.03976	8.1
407.05399	10.7
449.10818	5.3
633.11456	4.8
636.61664	2.5
683.90808	2.5
763.29706	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	919.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	2.2
71.01331	0.3
71.04982	18.6
73.02920	0.9
75.04464	1.0
78.72018	0.2
81.03400	0.7
83.04972	2.9
85.02895	21.6
86.06029	0.2
87.04452	0.8
92.78954	0.7
93.03386	0.3
95.04955	0.6
96.62096	0.2
97.02873	1.5
98.06046	0.5
99.04456	0.6
107.04959	0.2
109.02866	0.7
111.00795	0.7
111.04440	1.9
117.05484	0.4
121.02876	0.8
127.03902	1.6
129.05467	4.5
137.02338	3.1
145.04950	0.9
147.06488	1.1
149.02336	0.4
153.01822	2.2
153.05531	0.3
157.04948	0.3
158.95808	0.3
161.05978	0.3
163.03841	0.5
163.05974	0.6
165.01833	1.9
183.02879	0.8
201.05382	1.2
221.81996	0.2
229.04941	2.8
239.09097	0.3
247.06023	0.6
257.04395	2.1
274.04465	0.5
274.09818	0.2
275.05484	0.4
285.03885	1.3
303.04950	100.0
304.05338	0.9
315.04932	0.6
345.06100	1.3
369.06091	0.3
384.44156	0.3
390.79346	0.3
413.08337	0.3
431.09207	0.4
449.10721	0.9
465.10223	27.7
466.10617	0.4
588.06274	0.3
611.15448	0.6
627.15363	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
75.09506	3.0
82.33524	3.0
125.33160	3.4
141.95259	4.1
163.29741	3.3
178.67447	3.7
207.19025	3.1
231.16913	4.1
235.81219	3.5
250.14185	3.8
258.28464	3.7
302.14294	3.5
483.12842	11.4
497.14279	20.1
498.15079	42.9
557.16229	70.3
616.17584	100.0
657.19702	17.0
689.13049	4.2
945.28522	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	922.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
64.09827	1.1
69.03420	3.7
69.63165	1.2
70.06580	2.2
79.27370	1.2
80.05012	2.0
81.03404	2.3
82.06572	29.0
82.07052	1.5
84.04491	23.3
84.08129	5.3
91.71092	1.4
95.65922	1.3
96.04489	15.7
97.02872	2.5
98.06046	6.9
102.05535	4.3
109.02866	3.0
109.62749	1.0
110.06013	2.2
116.07081	5.4
126.05510	21.6
128.07072	100.0
130.05037	4.1
131.73859	1.2
138.05493	92.9
144.06535	15.3
145.09756	2.2
153.10266	1.4
158.66975	1.6
168.06552	12.0
173.09212	61.2
174.94791	1.4
179.11322	1.2
186.07582	11.6
190.74222	1.2
193.09766	2.8
199.10767	11.9
204.08678	5.8
211.10880	2.4
221.09431	1.7
239.10231	10.8
244.12973	2.9
257.11444	2.4
262.13910	14.4
284.12387	4.3
301.13940	4.2
302.13403	21.3
329.13513	4.4
363.13290	1.6
370.84647	1.4
391.18152	15.4
445.19403	3.7
489.95267	1.7
534.23944	6.6
630.26471	3.0
694.72192	1.4
701.29297	1.7
719.30847	22.5
756.31970	1.5
922.38794	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	924.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	23.0
70.40013	8.7
73.02900	14.6
81.03391	15.5
81.07042	14.6
85.02917	9.7
91.05452	17.8
95.08610	10.5
99.43801	10.1
105.07043	25.1
107.08559	9.1
113.01729	11.4
113.46098	10.0
119.08588	10.9
126.02496	19.2
127.03251	100.0
140.29662	10.7
145.04335	28.8
147.11623	11.2
185.09854	28.9
197.66722	9.6
213.22017	10.8
319.14465	13.0
337.15961	15.2
737.02734	11.8
755.23962	11.8
862.48108	61.2
880.49292	51.8
953.41754	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
64.84365	4.7
65.80043	5.4
67.04231	19.3
67.05490	25.7
68.05001	8.8
68.67953	5.1
69.03415	7.3
73.32633	4.9
76.62727	4.8
79.05492	12.5
79.63757	5.4
81.03405	10.0
81.07041	37.7
85.02923	5.6
91.05487	10.1
93.07044	16.9
93.51757	5.0
95.06068	6.2
95.08604	13.0
97.02885	10.3
97.75336	4.9
99.01404	7.9
99.04446	6.2
105.06998	9.1
106.08453	5.1
107.06080	45.6
107.08567	7.7
109.10118	5.7
111.05585	6.8
113.01706	15.0
118.50172	5.1
123.16476	6.0
125.01717	42.7
126.02473	36.3
127.03300	45.3
128.03996	5.8
131.08536	6.6
141.04811	12.5
144.03514	8.2
145.04329	9.4
169.04306	52.9
185.09816	11.4
187.05319	47.0
190.61479	6.3
228.11626	27.1
322.98953	6.0
331.09628	7.0
429.20874	7.5
519.85925	6.2
689.57080	6.7
720.46484	7.8
882.51379	100.0
926.49994	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	926.5828
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	3.9
65.51423	2.2
67.05495	100.0
69.03419	4.3
69.07059	21.5
70.98648	1.6
71.04980	5.2
73.02902	5.3
73.45899	1.7
74.20966	1.8
78.18672	1.7
79.05483	60.9
81.03405	2.8
81.07045	96.4
83.04973	3.2
83.08611	16.7
85.02418	2.9
85.02895	31.2
85.06525	4.2
86.63720	1.7
91.03944	18.3
91.05471	45.5
93.07031	90.3
95.04945	13.4
95.08595	71.5
97.02892	16.5
97.06538	2.6
97.10151	4.6
98.57268	1.9
99.04426	2.1
99.08060	4.5
105.07019	38.1
107.08588	44.0
109.10151	33.9
111.08089	2.9
112.52183	1.7
113.73879	2.3
117.07001	15.0
118.06526	2.7
119.08572	27.9
121.10145	45.1
123.11703	13.9
125.09623	3.0
127.03897	5.5
129.06996	4.2
131.08549	22.7
133.10118	28.2
135.11690	27.2
137.09589	2.4
137.13235	5.9
143.08507	2.7
145.04938	6.3
145.10106	20.6
147.11671	19.3
149.09569	2.8
149.13263	15.6
157.10149	6.2
159.11696	15.5
161.13239	7.3
163.05956	11.1
163.14792	4.7
169.10219	2.8
171.11720	5.3
173.13210	11.3
175.14867	4.8
185.13274	2.3
187.14857	6.1
201.16331	3.2
204.08600	2.2
205.15892	2.2
213.16422	6.2
215.17902	17.8
217.19562	2.3
231.17418	9.6
233.18958	11.2
241.19662	3.0
243.21021	4.8
255.00160	2.2
259.20551	6.1
261.22101	12.3
305.21051	4.1
307.22620	51.1
308.22974	2.6
309.24295	8.3
333.24268	3.9
335.25760	54.5
337.27454	5.2
360.11154	2.2
486.92899	2.9
493.40009	3.0
567.44000	13.4
585.44885	21.8
873.36816	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	926.6921
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	80.9
79.05463	29.0
81.07038	100.0
83.08611	14.3
91.05477	24.9
91.86304	12.8
93.07023	39.5
95.08593	62.4
97.10166	16.4
107.08610	24.2
109.10136	32.0
117.09502	15.7
121.10141	55.4
123.11676	14.6
126.99784	13.4
133.10089	24.5
135.11726	24.7
168.07100	13.5
249.95520	15.4
251.20062	41.6
282.99316	15.5
469.90814	15.6
485.39886	48.1
491.06073	17.7
503.41113	43.7
756.32416	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.5982
Annotation	Unknow
Peak:m/z	Relative Intensity
64.67167	6.8
67.05492	87.5
69.07042	27.9
79.05474	28.2
81.07043	100.0
83.08579	13.9
85.02902	17.3
91.03963	11.8
91.05474	42.6
93.07008	53.5
94.26434	9.3
95.08595	76.6
97.02854	13.5
97.06519	8.4
105.07011	16.9
107.08578	23.1
109.10144	24.0
115.23628	10.4
119.08587	18.6
121.10153	24.5
123.11690	10.9
131.08507	9.7
133.10121	18.7
135.11690	26.9
142.84647	8.8
147.11700	11.2
169.95926	9.2
173.13208	10.0
215.17876	9.4
217.19548	9.6
219.20953	9.2
260.29190	8.7
309.24164	53.2
335.25653	44.8
337.27252	10.2
409.23737	10.0
587.46313	20.6
601.84613	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	930.6144
Annotation	Unknow
Peak:m/z	Relative Intensity
66.46610	13.7
67.05498	90.3
69.07053	64.0
79.05460	41.4
81.07052	88.5
83.08638	36.9
85.02908	37.7
91.05443	17.7
93.07040	76.1
94.77864	15.3
95.08600	86.0
95.91340	15.1
97.02840	15.0
105.07059	29.1
107.08575	23.9
109.10174	22.2
121.10128	37.0
135.11674	36.7
157.93604	15.5
163.82549	15.2
261.22104	28.5
288.58279	16.0
311.25806	82.2
323.72293	16.9
335.25781	100.0
476.70493	16.5
496.34866	19.7
526.35040	16.4
571.46948	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
66.55042	0.7
69.03412	2.1
70.53421	0.7
81.03410	3.2
83.04963	6.5
91.05473	3.8
91.70955	1.8
94.05902	0.9
95.04939	1.7
96.73732	0.9
97.02901	2.0
104.84161	0.8
106.90962	0.9
107.04918	1.7
109.02891	1.8
111.00766	1.1
111.04449	9.4
119.04951	9.3
121.02889	2.5
127.03920	2.0
133.06482	3.1
133.28493	0.9
137.02322	4.5
144.41194	0.9
145.06532	1.1
147.04405	36.4
153.01807	4.7
159.04448	2.9
161.06015	0.9
165.01842	1.7
183.02922	1.1
183.04379	1.2
183.07967	1.0
189.05394	1.2
197.06007	0.9
201.05515	3.0
211.07501	1.3
219.06461	1.9
229.04935	4.8
237.07625	1.2
239.07001	1.2
257.04443	2.6
267.06641	1.2
285.04199	1.3
303.04968	100.0
304.05283	2.0
406.34357	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5377
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	8.5
69.03425	8.0
69.07069	2.3
71.01342	1.8
72.90353	1.6
73.02911	9.3
79.05508	4.3
81.03431	3.1
81.07040	8.9
85.02888	12.8
91.03948	11.1
91.05509	3.6
92.12504	1.6
93.07069	6.6
95.08627	5.0
97.02878	13.8
101.02396	3.3
105.07042	2.5
107.08669	3.5
109.10201	2.9
119.99788	1.6
121.10204	5.6
131.08649	2.4
135.11674	1.7
142.23270	1.7
144.13635	1.6
185.04265	2.5
203.05206	1.9
243.08427	2.3
304.88043	1.9
405.13617	8.0
491.26465	7.4
519.29382	3.6
589.63342	2.2
653.31769	7.9
681.34314	6.1
931.53772	100.0
932.53784	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	932.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07066	4.5
72.08150	18.7
74.00643	3.9
75.35306	3.3
76.02222	8.3
76.61067	3.5
83.65190	3.4
84.04492	3.5
86.09702	100.0
90.05531	8.7
92.01699	5.6
95.49498	3.3
97.68022	3.5
103.95175	3.7
125.95997	3.4
127.48003	3.9
130.05013	4.0
141.85110	3.4
144.06540	5.6
147.07602	6.2
153.06580	4.4
157.13365	13.0
173.07399	4.9
185.03830	10.9
185.12805	13.1
191.04872	10.9
193.06433	9.7
199.07135	5.5
211.54623	4.1
231.04327	23.6
231.06261	4.8
233.05899	4.7
241.05038	4.1
249.03494	4.3
282.18018	6.1
322.10825	5.5
469.59775	4.4
482.24542	4.5
659.33673	5.0
803.40778	11.1
843.40350	8.7
932.44769	16.7
952.92310	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	933.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	0.4
69.03431	1.8
71.04983	16.2
73.02903	1.0
75.04465	0.9
75.15224	0.3
81.03411	0.8
83.04969	3.0
85.02899	23.3
87.04446	0.5
91.14178	0.4
92.02618	0.5
93.03390	0.5
95.04951	0.4
96.40880	1.0
97.02885	1.9
99.04452	0.6
109.02854	0.5
111.04467	1.7
113.24789	0.3
117.05448	0.4
120.29481	0.3
121.02843	0.5
126.03153	0.4
127.03895	0.9
129.05476	4.7
139.03906	1.2
145.04895	0.5
147.06493	1.3
151.03915	1.2
153.01802	4.1
153.05397	0.4
165.01822	0.6
173.41177	0.3
177.05452	0.4
201.05527	0.4
208.49185	0.3
218.05663	0.4
229.04976	1.5
232.99004	0.4
239.09218	0.5
245.04407	0.5
246.05193	0.8
256.20206	0.3
257.04437	2.0
260.03079	0.5
261.07440	0.4
273.03931	1.2
274.04691	3.3
284.02939	0.3
285.03891	3.9
302.04169	11.6
303.04681	0.4
317.06528	100.0
318.06921	2.4
359.07578	1.3
365.58475	0.3
381.04382	0.3
463.12341	0.7
472.72296	0.3
479.11810	32.7
480.11917	1.0
484.16656	0.3
641.16937	1.1
675.51373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
66.10560	1.2
85.68176	1.2
86.78520	1.1
91.05466	2.6
91.71618	2.6
115.05451	2.1
118.06541	22.3
122.69005	1.7
132.08099	6.4
133.96971	1.6
137.40039	1.3
143.07309	1.9
144.08080	14.8
146.06006	78.3
146.55772	1.3
159.09158	7.8
159.94495	1.2
170.06026	4.1
188.07059	100.0
189.07413	1.4
205.09709	39.4
211.48825	1.6
255.83260	1.5
277.87708	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	933.5538
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05471	6.6
73.02916	11.3
76.31509	5.1
81.07048	7.4
85.02896	10.6
91.72819	6.7
93.07040	7.5
95.08631	7.7
97.02917	12.1
121.81604	6.0
140.00212	5.7
258.32825	6.1
319.88980	6.2
627.36029	8.0
693.36133	7.8
933.55243	100.0
946.04083	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	934.6453
Annotation	Unknow
Peak:m/z	Relative Intensity
64.76659	6.7
67.05492	53.4
69.07050	37.3
69.33871	8.0
71.08620	21.7
79.05453	8.4
81.07046	65.8
83.08606	19.6
85.02876	14.3
85.10181	17.7
91.05450	9.3
93.06995	20.0
95.08608	49.1
97.10143	7.9
109.10154	21.4
112.03436	9.2
114.65700	9.5
140.45485	10.9
178.40891	9.5
241.92345	10.2
245.22543	16.0
263.23584	15.7
313.27380	100.0
337.27472	65.7
567.41748	12.4
575.50348	30.4
685.00836	10.2
945.29352	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	935.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67249	12.1
73.56217	12.6
74.35059	13.8
74.35529	11.3
78.05234	11.6
86.55030	12.5
89.34579	14.0
97.18948	14.6
164.03477	15.2
171.42180	15.3
186.19014	13.5
219.39352	15.6
246.06219	15.0
287.44470	18.5
604.43079	16.5
716.95367	16.4
935.57379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5235
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	28.0
68.53123	6.4
68.63911	5.7
69.06667	5.9
69.07046	9.3
70.57793	5.6
73.02908	6.7
79.05486	13.7
81.03424	11.9
81.07033	31.5
91.05468	25.9
93.07031	24.3
94.06191	7.3
95.04961	7.6
95.06063	12.3
95.08593	25.3
100.02209	8.3
105.07038	12.9
107.08572	13.0
113.01693	11.2
114.02533	8.0
123.89213	7.5
126.02461	14.2
127.03239	73.6
133.10149	17.6
143.02718	9.2
145.04326	32.9
149.21257	8.4
181.48061	6.4
183.88474	7.8
185.09772	12.5
205.88989	7.8
291.45865	7.6
314.57736	8.3
319.14685	14.2
335.25836	15.0
337.15967	17.5
411.19208	12.1
730.47620	15.3
852.84674	8.8
892.53217	100.0
936.50922	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5235
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	28.0
68.53123	6.4
68.63911	5.7
69.06667	5.9
69.07046	9.3
70.57793	5.6
73.02908	6.7
79.05486	13.7
81.03424	11.9
81.07033	31.5
91.05468	25.9
93.07031	24.3
94.06191	7.3
95.04961	7.6
95.06063	12.3
95.08593	25.3
100.02209	8.3
105.07038	12.9
107.08572	13.0
113.01693	11.2
114.02533	8.0
123.89213	7.5
126.02461	14.2
127.03239	73.6
133.10149	17.6
143.02718	9.2
145.04326	32.9
149.21257	8.4
181.48061	6.4
183.88474	7.8
185.09772	12.5
205.88989	7.8
291.45865	7.6
314.57736	8.3
319.14685	14.2
335.25836	15.0
337.15967	17.5
411.19208	12.1
730.47620	15.3
852.84674	8.8
892.53217	100.0
936.50922	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05475	11.3
68.92150	3.6
69.03401	6.8
69.07055	3.9
74.06063	12.6
78.14787	3.7
78.58542	3.8
79.05499	5.3
80.04994	4.7
81.03413	13.3
81.07040	18.1
82.06590	3.9
83.08586	4.5
83.41394	4.7
84.04492	33.4
91.05471	5.4
95.08592	16.0
96.04466	18.6
98.06067	9.6
98.98472	10.4
99.04525	4.5
109.02853	8.9
119.08580	5.2
121.10221	6.3
126.05509	36.3
138.05490	81.1
144.06522	12.6
153.07175	4.0
167.55562	4.4
168.06558	16.1
186.07642	13.0
204.08662	74.9
233.62941	4.2
261.03802	13.6
262.25183	5.7
280.26297	10.3
298.27350	100.0
347.42685	4.5
503.36566	4.9
537.30774	4.7
558.30157	15.9
734.33020	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	939.43
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	10.2
70.89684	7.5
74.06075	17.4
81.03403	8.2
81.07056	10.7
84.04506	33.2
93.67461	7.3
96.04530	19.6
109.02927	11.1
124.90441	7.1
126.05508	34.3
132.06723	6.8
135.24596	7.6
138.05470	79.2
144.06599	19.8
168.06624	13.3
186.07678	14.7
204.08670	81.1
208.31700	8.3
215.57472	7.5
233.49207	9.4
273.27951	8.7
282.28015	8.0
300.28906	100.0
309.45685	7.4
314.02496	7.2
323.50690	7.5
378.05673	8.3
458.72845	7.6
560.32104	23.2
598.86938	8.8
736.34674	20.6
917.23151	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	939.6003
Annotation	Unknow
Peak:m/z	Relative Intensity
70.96932	7.2
82.42676	9.0
83.94738	7.5
85.02913	13.2
111.50658	7.8
153.16673	8.3
169.28870	8.3
241.16394	8.6
270.62057	9.6
289.31821	9.4
312.47403	10.0
534.80426	11.9
565.61273	10.3
845.78326	14.5
939.59821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.5781
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	84.2
69.03429	4.4
69.07064	18.5
73.02863	2.9
77.37117	3.2
79.05483	70.5
81.07049	79.9
83.05009	5.5
83.08610	13.9
85.02891	17.0
91.03930	8.7
91.05466	79.4
91.71680	8.6
93.07034	100.0
95.04963	18.8
95.08597	63.4
97.02906	9.9
97.10191	5.8
103.05446	5.1
105.07027	72.8
107.08590	41.0
109.10135	20.7
115.05530	4.8
117.06998	19.8
118.06528	4.3
119.08569	53.8
121.10139	49.0
123.11708	10.4
129.07018	12.9
131.08562	30.9
133.10110	43.7
135.11673	36.2
143.08553	10.6
145.05002	5.4
145.10132	25.2
146.21193	3.7
147.11696	39.1
149.13251	15.6
151.11134	4.2
157.10085	18.1
159.11678	20.1
161.13243	25.9
163.06055	5.9
169.10056	4.5
170.27486	4.0
171.11722	11.4
173.13219	7.2
175.14818	9.7
185.13268	8.4
199.14784	7.4
205.19508	3.9
213.16449	6.6
215.17926	11.4
231.17496	8.0
233.19066	5.5
241.19371	18.0
243.56766	3.8
257.18863	5.5
259.15204	4.0
259.20541	37.1
285.05334	3.6
307.22598	60.0
315.23102	4.4
333.24243	24.7
335.25766	8.1
491.39063	4.3
558.17096	4.7
565.42334	8.2
583.43579	50.1
588.65002	4.6
683.63171	4.2
925.74335	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	942.578
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	88.3
69.03410	5.5
69.07057	21.5
70.60860	2.9
71.04969	7.5
73.02884	3.9
73.87480	3.0
79.05485	57.6
81.03396	5.3
81.07045	87.8
83.04996	2.8
83.08613	11.8
85.02911	20.1
85.06522	7.7
91.03963	15.6
91.05469	100.0
91.71565	3.4
93.07031	93.8
95.04951	17.3
95.08593	72.5
95.09154	5.4
97.02882	7.7
97.06535	7.9
99.08115	4.5
103.05444	4.7
105.07019	99.1
105.07697	6.2
107.08582	44.7
109.10151	25.8
111.01460	2.8
111.08096	3.3
111.35677	3.5
115.05470	4.0
117.07009	27.0
119.08566	69.0
119.09367	5.7
119.25988	3.2
121.10130	35.7
123.08052	3.3
123.11700	8.5
127.03921	7.5
128.06206	9.2
129.05507	4.2
129.06987	28.8
131.08545	36.7
133.10123	85.2
135.11691	24.4
141.06900	4.5
142.07777	6.6
143.08562	22.6
143.09528	4.5
145.04953	7.6
145.10124	34.4
147.11679	68.9
148.49213	3.0
149.13245	12.1
155.08560	8.8
157.10095	23.6
159.11681	26.4
160.36853	3.3
161.09503	3.1
161.13245	14.7
163.06042	8.3
169.10118	5.8
171.11650	38.2
173.13232	14.4
175.11201	4.0
175.14806	6.4
183.11682	6.2
185.13274	12.4
187.14853	9.3
189.16397	7.5
197.13271	3.4
202.32686	2.9
203.18033	14.8
211.14853	4.7
213.16371	46.9
215.17986	9.3
231.17419	78.6
233.18912	5.4
259.20569	5.0
261.22211	7.3
301.24170	3.4
301.27774	3.9
305.21036	23.8
307.22665	9.6
309.81778	3.7
333.24240	4.8
335.25766	45.0
404.30383	4.0
459.80295	3.3
491.38736	7.0
565.42316	9.3
583.43500	54.4
756.30219	3.5
963.04810	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	942.7241
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	89.4
68.67304	11.6
69.07070	32.9
79.05479	29.6
81.02625	15.7
81.07055	100.0
83.08602	47.1
91.05479	35.8
93.07024	51.3
95.08606	94.0
97.10143	31.1
105.07040	17.1
107.08575	41.1
109.10157	44.6
121.10159	36.0
133.10114	31.3
133.66350	14.3
135.11722	39.3
251.20139	31.2
311.25830	22.2
325.23697	53.9
328.01453	18.0
329.26913	25.4
561.44849	20.5
579.46112	70.6
755.30145	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	947.512
Annotation	Unknow
Peak:m/z	Relative Intensity
72.46431	6.6
89.22209	6.1
102.73869	7.1
116.12543	7.4
118.23171	6.4
119.21725	7.3
195.56177	7.8
246.84677	7.5
251.50299	7.9
255.33197	9.4
285.09933	8.1
519.53589	9.8
585.17993	8.7
756.39899	9.6
838.70306	10.3
903.91498	8.3
947.51538	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5335
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	5.4
68.72665	1.7
69.03448	6.5
69.07063	2.3
73.02929	4.4
79.05504	4.7
81.03423	3.4
81.07069	6.5
85.02886	11.6
91.03998	6.4
91.05480	4.1
93.07057	5.1
95.08637	5.6
95.58376	2.1
97.02877	12.3
101.02406	4.5
105.07085	3.7
126.88681	1.9
127.03960	4.2
133.10201	4.9
243.08389	3.7
301.46539	2.6
347.09753	5.9
389.60892	2.4
405.14163	7.9
441.13614	2.5
507.26245	4.9
519.29584	5.9
669.31305	4.3
681.33875	4.2
756.31793	2.7
896.02850	2.6
947.53351	100.0
948.53815	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	947.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	3.9
67.72794	1.8
68.37770	1.7
69.03418	4.0
73.02924	5.5
75.55237	1.6
79.05474	2.4
81.03434	4.0
81.07056	5.8
85.02910	10.0
90.10916	2.4
91.03963	4.9
91.05479	3.2
93.07048	4.3
95.08604	4.9
97.02905	8.1
99.04415	1.9
101.84803	2.1
105.07046	3.2
110.17510	2.3
116.66949	2.1
127.03916	2.8
136.70320	2.1
151.87337	2.3
155.44879	1.9
185.04239	3.4
290.97403	2.4
308.82614	2.2
347.09772	4.0
348.34146	2.5
349.64761	2.2
377.48920	2.4
405.13998	7.5
491.26303	5.5
579.52161	2.6
653.31024	11.8
697.35028	2.8
791.09912	2.7
797.07800	2.7
947.53320	100.0
948.53284	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	948.6247
Annotation	Unknow
Peak:m/z	Relative Intensity
66.47034	12.7
67.03443	9.6
67.05504	42.2
69.07076	31.5
70.82161	10.0
71.08637	29.1
72.64589	11.8
79.05492	38.5
81.07038	60.5
83.08665	13.0
85.02908	14.0
85.10194	24.0
91.05505	48.6
93.07079	48.1
94.89236	12.4
95.08632	58.2
105.07059	51.1
107.08621	24.5
109.10141	27.7
117.07030	18.6
119.08624	57.7
121.10174	21.6
133.10187	37.2
141.10991	12.5
145.10159	26.2
147.11748	40.0
159.11678	18.1
161.13275	30.1
188.71725	12.3
241.19576	47.6
257.70898	13.4
259.20483	100.0
313.27228	87.9
333.24298	37.1
346.21988	13.8
454.97528	17.0
589.48517	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.625
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	52.3
69.07060	15.0
71.08617	36.3
71.78339	8.0
73.60864	8.1
79.05482	20.5
81.07044	45.5
83.08621	11.0
85.02864	12.2
85.10170	9.9
91.03990	12.3
91.05454	43.4
91.71537	8.2
92.87939	8.0
93.07039	36.1
95.08592	48.2
97.97293	7.5
98.81804	8.4
98.88353	8.3
105.07034	35.5
107.08586	15.2
109.10107	24.0
113.02423	8.3
113.47084	7.4
115.11797	8.3
117.07021	11.1
119.08578	32.7
121.10077	10.0
123.04028	8.3
127.59603	7.9
129.86806	9.0
131.08578	17.4
133.10126	22.9
135.11674	18.3
145.10092	20.6
147.11699	27.8
149.13234	12.1
161.13280	10.3
171.11765	9.3
186.91801	8.3
241.19562	22.8
259.20514	49.2
313.27267	100.0
333.24356	26.9
476.17020	11.7
546.89063	12.0
589.48224	47.6
790.57623	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	950.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07069	4.9
72.08155	25.5
76.04008	5.4
83.10314	4.6
84.04495	9.5
86.09696	100.0
87.08660	4.5
106.09826	5.5
114.88032	4.9
119.09922	6.0
130.05023	13.8
131.04575	6.9
140.01526	5.3
155.08093	6.8
155.75581	5.3
157.13364	19.8
185.12909	8.4
187.05452	6.1
199.07201	5.4
199.18182	5.6
205.04869	4.7
650.87836	6.5
755.30548	8.0
821.36951	9.2
927.91986	5.7
950.40503	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	951.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02962	0.9
70.06585	79.3
72.08154	5.7
77.56416	0.7
81.03398	1.2
82.66256	0.8
83.06084	1.3
83.76448	0.7
84.04498	11.8
86.95026	0.7
87.05592	1.6
91.05447	0.9
91.26137	0.7
91.61942	0.7
101.07136	7.5
105.79502	0.7
118.06877	100.0
127.08688	1.4
129.06596	2.7
130.06520	5.1
135.51875	0.9
136.07556	2.2
138.09174	3.0
150.77411	0.9
157.06047	2.0
159.09155	7.1
162.05423	0.9
163.08984	12.2
169.07616	1.7
170.06046	3.1
182.08203	1.0
182.12848	1.8
183.11302	4.3
187.08836	1.6
195.07671	0.9
200.13942	4.5
214.09886	1.0
215.08484	7.8
223.12306	1.9
228.13496	2.0
243.07947	2.6
246.12668	9.0
250.13580	0.8
274.12189	23.7
274.14987	1.6
279.13416	7.6
284.10391	1.8
301.13000	1.2
317.11252	1.4
359.12384	3.1
373.19003	15.0
393.17703	2.2
400.19623	1.4
415.63385	0.9
515.27942	2.1
531.27386	2.1
556.25439	1.3
559.26898	6.1
590.51257	0.8
628.28729	1.5
645.31171	1.3
656.28027	3.0
673.31232	16.2
678.32123	1.0
763.41162	0.9
950.51233	1.1
951.43164	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	953.5804
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	10.3
70.23170	2.8
73.02928	5.0
79.05486	3.7
81.03410	3.3
85.02859	8.7
91.03941	5.8
91.70990	10.9
95.08591	5.6
97.02878	11.9
108.67038	3.4
123.63661	3.8
139.65689	3.3
143.88353	3.7
214.44476	3.5
218.72609	4.1
236.77235	3.8
347.09625	5.2
368.87271	4.7
405.13672	6.3
415.31592	4.6
497.30850	5.5
535.28595	5.5
576.37598	4.8
633.31885	4.2
659.35571	13.6
756.01715	5.8
809.43713	4.7
953.58014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.5803
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	7.1
72.34433	3.5
73.02913	5.0
85.02928	10.2
91.03945	6.6
93.07072	3.8
97.02929	12.8
213.53745	4.4
405.13690	5.7
515.68616	5.1
535.28882	6.9
616.68036	5.1
659.35071	7.4
925.18384	6.9
947.42859	6.2
953.58044	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6142
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	97.1
69.03404	4.4
69.07059	19.8
71.04977	3.5
71.08588	2.2
73.02917	5.0
79.05486	44.7
81.07050	100.0
83.04974	2.5
83.08613	9.9
85.02896	24.4
85.06529	2.4
85.10177	1.9
91.03959	13.2
91.05469	44.2
93.07040	70.3
95.04976	10.6
95.08599	83.0
96.84870	1.9
97.02891	15.8
97.06544	6.6
97.10187	4.2
97.20304	2.1
105.07027	32.2
107.08586	34.6
107.09263	2.3
109.06583	2.1
109.10139	27.8
110.72021	2.0
117.07006	13.2
119.08585	27.7
119.09381	3.3
121.10137	30.8
123.10904	2.1
123.11678	11.7
127.03980	3.0
129.06996	3.0
131.08546	16.9
133.10110	17.6
135.11699	25.1
137.13268	3.8
145.04942	7.6
145.10138	13.7
147.11653	10.3
149.13235	14.2
157.10139	2.5
159.11676	12.9
161.13255	11.2
163.06003	6.6
163.11185	3.0
163.14816	3.7
171.11626	3.1
173.13284	8.1
175.14870	5.2
187.14787	3.9
189.16444	2.9
199.14861	2.6
235.83270	2.2
238.51750	2.2
241.19565	2.7
243.21089	5.4
259.20667	8.2
261.22061	21.5
317.24765	3.1
333.24030	11.9
335.25781	99.4
337.27380	12.7
348.27582	2.4
521.43652	3.1
595.47083	14.4
596.48364	2.6
613.48206	22.5
618.92023	2.6
933.56915	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	956.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.4
67.79174	0.5
69.03419	4.3
73.02911	1.0
74.23512	0.4
75.24012	0.4
79.05462	0.8
81.03404	1.2
81.07027	1.1
85.02897	4.6
87.04447	1.2
88.85939	0.4
91.05450	0.6
91.71697	1.0
93.05744	0.8
93.76197	0.5
95.04907	0.6
96.08123	0.5
97.02876	2.4
97.04218	0.5
98.29089	0.4
106.06551	2.6
108.08106	100.0
109.02888	0.5
109.08443	0.6
123.06792	3.5
124.06725	0.8
124.07574	10.5
127.03901	1.3
133.67397	0.5
134.06006	7.9
136.07570	19.0
137.08398	0.8
148.54488	0.5
152.07053	55.7
153.07430	0.9
154.08636	1.4
165.42860	0.6
170.08342	0.6
177.10188	1.2
184.09647	2.8
205.41476	0.7
210.97565	0.6
293.16132	0.6
314.08432	0.6
314.12289	19.9
346.14926	82.7
347.15381	2.5
417.03241	0.6
555.14941	1.0
555.22809	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	956.6296
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	95.1
69.03436	5.5
69.07060	36.5
73.05003	4.1
79.05485	37.2
81.07046	100.0
82.08854	4.8
83.08637	15.0
85.02908	25.2
91.03970	20.7
91.05476	35.5
91.71671	14.2
93.07041	56.8
95.04995	10.4
95.08593	85.0
95.09149	6.6
97.02931	15.2
97.06525	5.4
97.10192	9.1
105.07024	24.2
107.08572	38.3
109.10144	33.8
110.08276	4.5
111.08126	4.9
116.14265	4.6
117.07002	7.0
119.08586	25.1
121.10161	20.0
123.11724	10.6
131.08612	9.5
133.10167	14.0
135.11742	17.2
145.10202	10.1
147.11688	8.5
149.13293	14.1
159.11737	6.5
161.13263	7.0
163.06007	5.5
163.14917	9.9
187.14832	6.8
243.21101	7.0
252.99596	4.9
261.22073	24.5
263.23700	5.6
318.73364	6.1
335.25742	70.7
337.27359	75.2
456.58899	6.5
457.13718	5.5
597.49017	26.8
615.49921	40.3
682.99011	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	956.703
Annotation	Unknow
Peak:m/z	Relative Intensity
66.68333	1.5
67.05496	100.0
69.07065	22.4
69.66688	1.6
71.04980	2.7
79.05490	39.2
81.07047	99.9
83.04945	2.5
83.08606	23.4
91.05473	29.0
93.06486	3.2
93.07041	52.8
93.41113	1.8
95.04953	4.7
95.08599	86.4
97.06554	9.4
97.10159	12.4
99.08071	2.7
100.52194	1.9
105.07029	14.8
107.08588	34.4
109.06527	2.7
109.10152	37.6
111.08071	9.6
117.07009	6.0
119.08585	14.4
121.10143	37.4
123.11687	11.0
125.09615	2.5
131.08577	9.3
133.10114	29.4
135.11694	23.3
137.09607	3.8
137.13301	3.9
145.10147	8.3
147.11708	8.1
149.13242	8.0
151.11188	8.2
159.11765	4.6
173.13280	3.5
187.14915	2.1
215.17950	12.0
233.19014	7.7
251.20018	21.9
265.46039	2.5
269.21024	2.7
272.04834	1.8
298.52390	2.1
307.22583	10.8
323.21951	3.0
325.23730	53.8
332.84305	2.3
343.24680	2.9
345.27393	2.0
367.24774	7.1
539.40356	3.0
556.68475	2.4
557.42322	11.8
575.43042	82.1
576.42816	4.1
593.43811	3.4
633.49512	2.7
635.44690	7.9
651.35083	2.2
698.82410	2.4
843.62823	6.7
903.65436	2.4
958.35468	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	958.7186
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	95.5
69.07063	34.7
71.04990	5.1
73.67639	3.6
79.05483	24.8
81.06596	9.5
81.07046	100.0
83.08613	26.1
85.06529	8.3
88.98970	4.1
91.05460	35.6
93.07045	45.2
95.04962	8.4
95.08596	98.4
97.06509	15.1
97.10173	14.4
105.07040	16.8
107.08582	30.8
109.10147	48.1
111.08044	6.3
119.08590	13.5
121.10125	40.2
123.11711	9.4
133.10138	25.8
135.11691	25.9
139.11148	6.0
147.11678	7.6
149.13322	5.9
151.11119	7.1
215.17992	10.9
251.17690	5.6
251.20125	17.9
301.89331	5.0
307.22568	8.1
309.24139	27.2
325.23633	37.8
327.25146	7.7
347.30328	6.7
367.24771	5.3
541.42358	5.8
557.41473	7.5
559.43451	18.6
575.42633	19.6
577.44690	48.3
905.66431	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	959.5694
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	8.5
69.03423	8.4
73.02908	5.6
81.03401	3.4
81.07055	7.8
85.02895	17.4
86.94444	3.5
91.03948	9.2
93.07052	4.3
95.04974	3.8
95.08587	4.8
97.02886	10.8
111.42745	3.4
123.74147	3.4
125.83702	3.9
274.83978	4.1
290.77292	4.2
347.09677	4.7
382.37878	4.3
386.94345	4.8
405.13470	5.1
519.29486	15.9
681.33990	10.7
711.81195	4.9
902.42548	4.9
914.92261	4.6
959.56836	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.6608
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05478	58.3
69.07050	59.0
69.49191	14.8
79.17101	14.3
81.07044	100.0
83.08616	38.9
85.02869	19.0
91.03948	21.2
91.70951	33.6
93.07013	36.0
95.08611	80.1
97.10113	21.9
107.08588	28.3
109.10156	42.9
121.10144	21.1
130.27284	16.0
135.11665	23.5
163.14838	18.4
245.32362	15.7
337.27231	95.0
339.29028	66.0
601.51807	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	961.5847
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	5.4
69.03407	6.1
70.85627	3.5
71.79151	3.3
81.07037	7.2
85.02886	8.0
87.86903	3.5
91.03950	5.3
93.07020	5.6
97.02891	8.4
109.10115	4.1
112.78862	4.7
129.41148	3.9
143.59311	3.7
157.82327	3.9
162.73273	4.0
196.58592	4.0
197.15674	4.0
251.48344	4.2
405.13718	8.2
425.07883	5.1
681.34113	7.3
961.58368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.6579
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	5.4
69.07092	2.7
79.05469	1.9
81.07054	5.7
91.05479	2.7
91.71071	2.8
93.07108	2.5
95.08597	6.4
109.10149	2.4
114.06836	1.8
118.70268	1.8
121.10146	2.6
131.37408	2.3
133.97806	1.9
135.11742	2.6
135.48804	2.2
163.98592	2.2
291.19440	8.1
303.73141	2.3
307.75687	2.5
309.20346	4.1
351.21527	7.0
619.41974	2.4
633.43597	9.2
961.65778	100.0
962.67621	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	963.6733
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	5.6
69.07071	5.7
79.05464	2.3
81.07066	4.5
91.05486	3.2
95.08633	5.7
98.84073	2.4
114.16056	2.4
135.11668	2.5
138.85013	2.6
141.84926	2.2
142.62909	2.4
145.73573	2.8
151.51311	2.5
162.43729	2.2
163.02275	2.6
266.76062	2.6
291.19580	7.0
309.20569	4.2
347.22275	3.2
351.21628	5.7
635.45941	3.4
766.78589	2.9
789.57501	2.9
803.13373	3.0
839.02002	3.6
963.67322	100.0
964.66766	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	965.6163
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	7.2
69.73849	6.7
75.65132	6.1
84.33703	7.5
85.02913	11.7
91.03909	7.0
99.65087	6.1
103.14297	7.7
107.65508	7.9
121.10285	6.8
121.15952	7.0
126.10355	7.1
200.58809	7.7
210.93773	7.7
243.48340	8.9
405.13596	7.8
683.36359	14.8
965.61511	100.0
966.62848	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.6889
Annotation	Unknow
Peak:m/z	Relative Intensity
76.84727	5.6
92.23462	5.2
118.39896	4.8
121.10033	6.1
202.74001	5.9
224.61118	5.2
233.21852	5.8
242.01817	5.7
351.21356	6.1
399.16031	6.0
483.84717	7.5
625.65326	6.1
866.92206	7.8
965.69141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5949
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	3.5
70.06554	2.9
81.07037	5.1
92.44690	3.3
95.08606	4.2
102.16579	3.2
122.09712	3.1
137.20236	3.1
164.10674	8.5
205.45888	3.8
210.11226	6.0
215.08215	7.2
216.08810	5.6
222.11221	4.9
228.62758	3.7
234.19258	3.5
260.07877	8.4
261.08716	9.2
275.10242	100.0
285.12244	3.8
299.07239	3.8
299.10275	14.7
300.28885	5.8
301.11768	28.1
315.13358	4.1
318.29916	22.3
327.09680	5.9
345.10721	14.2
347.12393	10.1
390.18216	6.4
402.17908	4.9
406.17667	19.2
412.18549	24.4
436.18430	5.0
452.18130	15.7
466.19772	17.7
482.19162	6.8
589.26312	7.3
619.27405	9.3
621.29254	50.5
633.29346	19.6
651.30255	38.7
975.21094	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5752
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03412	7.0
73.02883	8.7
85.02917	16.7
91.03947	9.3
91.13992	5.1
91.71694	13.8
95.08631	7.4
97.02899	12.7
140.37093	6.3
405.13547	6.5
497.31174	10.0
659.35876	20.7
713.32623	7.2
969.57550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.5742
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06606	5.5
75.27488	3.4
81.07050	15.2
83.08606	5.4
91.71649	8.4
93.07035	9.1
95.08611	18.3
98.06081	4.2
107.08597	9.5
118.71600	3.7
122.06041	19.1
124.07545	6.7
136.07565	20.7
138.09152	13.7
164.07063	43.3
174.09151	9.8
181.09720	14.5
189.06644	4.8
191.08228	12.6
202.08643	7.1
203.08174	23.1
204.06683	13.3
217.09749	14.4
229.05978	11.0
230.08133	6.3
245.09108	24.1
246.07762	6.2
248.09245	8.8
259.10754	7.7
261.08771	15.6
263.10236	34.7
275.13879	5.7
280.26318	8.8
287.10400	26.1
298.27417	13.8
301.11792	16.9
305.11340	37.5
305.96603	5.6
307.12817	9.8
313.08191	6.5
316.28500	18.4
334.29495	90.5
426.20148	12.7
444.21292	7.4
452.18085	20.1
468.17624	16.0
470.19022	16.3
589.26520	31.7
607.27661	100.0
619.27570	19.2
637.28827	40.0
842.19647	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	970.6096
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	7.7
69.07055	23.3
71.04980	4.7
71.62946	2.2
75.38757	2.5
79.05489	51.9
81.03410	4.5
81.07047	90.1
83.04959	4.3
83.08604	11.0
85.02885	22.5
85.06545	4.9
85.24442	3.0
91.03954	7.9
91.05470	84.3
93.07037	100.0
95.04961	16.1
95.08040	4.9
95.08601	70.1
96.69218	2.8
97.02885	8.0
97.06526	7.1
97.10151	5.4
105.06311	3.4
105.07020	69.5
107.08585	47.1
109.06525	5.6
109.10151	28.3
111.08105	3.6
115.05495	2.6
117.07011	26.1
119.08575	62.8
121.10143	36.7
123.11668	7.4
127.03921	5.2
129.07008	12.7
130.07765	3.5
131.08568	31.1
133.10132	36.8
135.11693	27.0
141.06903	3.2
143.08556	12.1
145.05020	3.5
145.10130	28.5
147.11682	38.4
149.13249	12.8
157.10155	12.3
159.11691	19.8
161.13219	25.8
163.14822	5.2
169.10101	3.0
171.11615	14.0
173.13275	14.0
175.14809	8.6
181.64656	3.2
183.11646	5.0
185.13260	9.0
187.14780	7.5
189.16331	3.0
199.14787	5.6
210.54929	2.9
213.16490	3.6
231.17427	3.6
231.20950	4.7
241.19368	15.1
257.19077	7.7
259.20575	39.0
261.22147	11.8
274.02609	2.9
315.23154	3.7
333.24133	33.0
335.22079	5.1
335.25806	59.7
463.82358	3.3
593.45612	10.8
611.46631	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6092
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	4.0
69.06745	5.4
69.07055	24.9
71.05003	5.1
73.02923	4.9
79.05034	6.0
79.05478	70.0
81.07047	95.7
81.07530	6.9
83.04975	6.5
83.08642	12.6
85.02904	21.7
86.98044	3.4
91.03970	14.4
91.05468	100.0
91.71060	4.2
93.07025	84.0
95.04990	15.6
95.08592	67.0
97.02905	9.0
97.10218	6.3
99.08145	3.8
105.07019	88.8
105.07664	5.5
107.08595	51.4
107.09252	4.0
109.06576	4.9
109.10147	20.9
117.07018	28.5
118.06518	4.8
119.08577	66.3
119.09333	5.5
121.10135	41.5
123.07947	3.5
124.20442	3.5
127.03899	3.9
128.06258	4.7
129.07059	14.5
131.08543	42.7
133.10118	59.4
133.10953	4.5
135.08118	4.6
135.11699	31.4
137.71629	4.0
143.08609	11.1
145.10120	26.9
145.20790	4.4
147.11699	43.6
147.12776	4.6
149.13315	15.9
157.10173	13.0
159.11697	29.3
159.12808	3.1
159.85789	4.7
161.13220	23.0
163.06078	8.0
163.14914	5.0
171.11742	15.7
173.13202	24.8
175.14880	10.0
183.11763	4.4
185.13307	12.4
187.14838	4.4
197.13370	4.4
199.14865	11.1
231.21118	8.3
241.19479	23.5
243.21098	7.1
257.19186	8.8
259.20502	59.9
261.22256	10.8
315.23285	4.9
333.24167	39.0
335.25726	53.3
593.45306	15.2
606.12067	4.4
611.46606	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67735	7.7
78.55505	7.2
81.02306	8.0
91.63522	7.5
117.64843	9.3
353.85184	10.0
463.73383	11.6
711.96881	12.9
975.53687	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5641
Annotation	Unknow
Peak:m/z	Relative Intensity
67.73662	1.4
69.03435	5.9
69.07059	1.6
70.06992	1.4
73.02914	4.7
74.07936	1.4
76.46534	1.5
78.70463	1.6
79.05504	2.6
81.03433	3.5
81.07048	9.1
85.02891	11.8
91.03960	5.7
91.05505	3.2
93.07066	5.4
95.04976	2.0
95.08608	4.0
97.02879	9.1
99.04449	2.3
101.02367	3.1
105.07092	2.4
106.66712	1.7
107.08609	3.6
119.08585	2.6
121.10146	3.5
133.10115	2.0
135.11765	1.8
137.08643	1.5
180.06036	1.6
185.04359	1.9
218.75096	1.7
221.74821	1.5
243.08502	3.5
251.53961	1.9
306.52460	1.8
347.09586	5.4
405.13873	7.2
519.29297	8.2
681.34387	9.3
975.56433	100.0
976.56860	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	975.5641
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	5.7
71.41834	3.1
73.02890	3.7
79.05460	3.6
81.03386	5.8
81.07022	6.7
85.02894	10.9
91.05444	4.5
93.06985	3.8
95.08628	3.9
97.02870	6.0
135.73640	5.1
162.34300	4.2
207.10292	3.9
250.00771	3.9
325.73270	4.2
387.39270	4.4
460.93512	4.3
481.02548	5.1
519.29517	5.5
535.27734	5.4
624.84497	4.9
627.92621	4.7
681.33624	5.3
756.23364	5.7
785.30499	4.4
975.56372	100.0
976.53937	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	977.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
79.62190	7.1
81.75146	8.5
86.61549	8.7
90.92730	10.5
100.77850	7.7
123.13252	8.6
129.84387	9.9
133.44872	9.8
135.54938	9.9
286.34079	9.8
599.50677	11.0
977.55371	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.6309
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97691	6.0
70.19104	5.1
121.81035	7.4
123.93610	6.0
192.79305	6.8
277.60892	7.5
322.71918	7.7
379.33417	8.0
434.70737	8.8
977.63312	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6042
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	13.0
69.07053	34.4
71.04983	8.6
71.68648	4.5
73.02871	4.4
79.05491	59.9
79.42518	5.2
80.66384	4.9
81.03394	15.4
81.07050	100.0
83.04996	5.6
83.08606	18.5
85.02890	10.1
91.03906	5.6
91.05475	70.4
93.07039	88.6
95.04964	22.3
95.08598	65.7
97.02898	15.0
97.06524	13.3
105.07042	34.2
107.04968	5.6
107.08597	48.6
109.10141	27.4
117.06991	19.6
119.08585	40.2
121.10156	25.8
123.08042	11.5
123.11664	5.8
127.03946	6.8
129.06981	6.0
131.08565	24.3
133.10106	26.1
135.11700	24.8
145.10158	17.3
147.11656	13.1
149.13240	15.7
157.17632	5.3
159.11655	6.8
161.13324	8.5
173.13370	8.7
261.22116	9.9
269.17432	17.4
275.20129	10.8
335.25790	76.2
336.26028	6.0
349.23862	11.4
405.10968	6.3
431.15253	6.3
515.37036	12.4
529.38696	53.5
609.45288	30.3
627.46204	12.4
640.16699	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	986.6037
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	7.5
69.07046	20.4
73.02912	3.5
79.05479	55.9
81.03400	12.3
81.07045	100.0
83.04974	12.7
83.08608	14.6
85.02903	15.6
85.06560	3.7
91.05473	49.6
93.07030	82.9
95.04960	15.4
95.08595	54.9
97.02893	6.8
97.06506	10.2
97.34785	3.6
105.07017	41.6
107.04976	4.0
107.08583	36.9
109.06547	6.9
109.10154	25.0
109.22705	4.1
117.06988	18.0
119.08588	20.2
121.10128	25.0
123.11729	6.7
127.03951	6.2
129.07011	4.9
131.08545	20.1
131.79564	3.6
133.10112	19.8
135.11682	20.4
143.08646	5.0
145.10147	18.3
147.11703	15.3
149.09587	7.3
149.13272	8.5
155.08569	6.2
159.11679	10.2
170.93813	3.8
173.13252	6.7
228.12798	3.9
255.15942	5.4
257.18924	6.5
269.17633	24.0
269.20441	5.1
275.20050	16.1
308.39499	3.8
335.25745	61.8
349.23593	18.5
515.37061	14.3
529.38843	66.8
569.42096	7.3
609.45306	18.9
803.35425	5.2
1007.93396	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	986.6038
Annotation	Unknow
Peak:m/z	Relative Intensity
68.59216	5.1
69.07049	18.8
71.54856	6.4
74.44144	6.3
74.94424	6.2
78.11687	6.3
79.05482	50.5
81.03397	14.0
81.07046	100.0
81.34761	5.6
83.04964	7.3
83.08595	18.1
83.25706	6.4
85.02889	13.7
91.05470	53.7
91.71577	8.4
93.06474	10.9
93.07027	81.1
95.04940	17.4
95.08603	48.5
97.02898	8.0
97.06493	14.8
105.07029	41.0
106.68335	6.6
107.08591	46.1
109.10149	18.0
117.06998	17.6
119.08558	23.0
121.10162	23.2
128.62199	5.9
131.08543	23.3
133.10115	24.7
135.11668	18.5
145.10115	16.9
147.11766	11.6
149.13242	16.3
157.10124	10.2
159.11694	16.3
171.11812	7.9
195.13826	8.6
220.42995	6.5
227.39230	7.2
255.15907	14.1
261.22250	8.0
269.17419	39.1
275.20105	15.0
325.45114	9.4
335.25739	64.0
349.23694	18.0
515.37183	11.9
529.38983	47.9
609.45007	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	988.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
68.52995	3.5
69.03451	3.1
69.07066	12.8
71.04957	4.4
73.01115	4.2
76.02221	80.1
76.04010	3.7
79.05485	44.8
79.05865	3.9
79.09688	3.0
80.05041	12.1
81.03413	6.1
81.07043	55.0
83.05009	8.0
83.06117	15.3
83.08634	11.4
84.04494	27.5
85.01115	5.3
86.00648	19.3
86.99078	12.0
88.02229	12.1
91.05462	36.0
93.07037	71.8
94.06599	7.2
95.04987	13.0
95.08593	54.3
97.01100	24.0
97.02927	6.7
97.06566	5.0
97.10097	3.4
99.05579	4.7
100.02203	6.9
105.07067	13.4
107.04986	6.8
107.06107	5.1
107.08564	21.7
109.10198	11.9
109.71799	3.6
110.79501	4.2
111.02660	37.7
112.02206	3.4
114.03777	6.4
116.01674	57.2
117.07085	11.0
119.08624	15.9
121.10139	59.2
123.02703	10.0
123.08111	10.8
124.02216	4.4
126.03667	3.4
129.06680	12.8
130.05028	14.8
131.08582	19.5
133.10193	10.1
135.11746	7.9
136.04022	3.7
137.04236	8.8
137.09721	3.7
139.11241	8.7
141.04854	4.5
142.03210	27.4
143.02774	3.6
144.01122	21.4
145.06068	4.5
145.10095	9.3
147.11745	6.8
149.09612	21.9
155.05238	23.9
162.02184	35.5
162.12744	4.7
163.05847	6.6
165.07312	4.0
167.10652	6.5
170.02693	7.0
173.09598	3.7
174.87645	3.6
179.04858	39.8
179.08961	12.9
181.06134	5.5
187.05449	9.9
189.03363	4.0
189.07361	7.2
196.11606	6.9
202.01083	3.6
207.08429	18.6
215.04961	10.4
224.11023	50.4
225.09564	5.7
233.05992	6.6
241.14424	10.4
242.12013	20.2
270.11572	5.8
270.80936	4.3
298.14859	5.1
308.09238	10.7
327.13797	4.4
335.25742	32.5
401.17538	4.7
412.61078	4.6
419.18494	5.5
501.35883	5.9
576.37476	16.0
679.39868	100.0
697.41052	31.4
733.40118	4.6
751.41833	17.0
808.44678	10.0
826.44983	72.6
872.92529	4.2
894.14069	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	988.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07038	11.2
76.02225	63.1
79.05488	48.6
80.05003	10.4
81.07040	61.7
81.42924	6.1
83.04963	9.5
83.06084	21.6
83.08625	10.6
84.04501	23.9
86.00634	14.3
86.99085	10.5
91.05481	37.7
93.07032	70.8
94.06573	8.9
95.04962	18.1
95.08588	35.2
97.01114	25.2
100.02194	13.1
102.05585	11.6
105.07030	26.6
107.08596	22.4
108.04438	6.7
109.10160	8.8
111.02657	28.7
114.03767	10.5
114.05492	6.4
116.01686	40.4
117.07027	13.9
119.08612	9.2
121.10144	29.8
123.02704	8.4
123.36509	6.9
129.06653	14.6
130.04994	13.0
131.08601	15.5
133.10152	14.3
136.03966	8.5
137.04169	8.6
141.04836	6.9
142.03197	25.2
144.01154	10.2
145.06085	9.2
145.10072	10.6
149.13292	19.6
159.11803	10.9
162.02200	30.7
170.02669	12.0
177.12750	12.1
179.04884	33.7
207.12059	8.1
213.56107	8.9
224.16481	6.7
233.05951	14.9
252.14243	22.0
269.17450	11.7
270.15207	16.1
303.29193	8.0
307.22791	38.7
385.61197	7.1
447.21674	9.1
449.17163	7.7
501.36130	8.7
576.36981	14.0
621.16223	8.1
633.63507	7.3
652.92926	7.6
679.40033	100.0
697.41217	22.0
751.41772	12.7
808.43451	9.5
826.45087	60.7
837.04767	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	990.572
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	3.0
69.05791	5.9
79.05477	11.1
81.07057	21.8
83.08638	3.2
85.02875	4.3
88.95386	3.1
91.05452	10.9
93.07033	18.6
95.04967	4.9
95.08605	7.1
97.02902	6.3
99.01394	5.2
100.02204	3.8
100.84285	3.1
105.07036	7.7
107.04858	4.0
107.08603	4.8
109.06512	6.2
112.18663	3.5
113.01688	8.4
119.08591	4.7
121.10104	4.8
125.01710	3.7
126.02496	25.5
127.03249	76.2
131.08557	3.7
136.38734	4.2
145.04295	29.5
145.10059	4.9
185.09810	42.8
186.10646	7.4
201.06926	8.3
215.36778	3.5
219.07997	6.4
230.81935	3.4
231.36719	3.8
278.11063	3.6
313.53021	4.3
384.33093	3.9
497.51242	3.4
502.21878	3.7
784.53406	8.4
791.51495	4.1
946.57898	100.0
990.55835	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	990.5717
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	4.1
69.05789	7.1
72.70107	2.4
73.02899	4.2
77.28158	2.6
79.05479	11.0
81.07047	22.0
82.31937	2.3
83.08602	4.6
85.02887	2.4
91.05471	12.7
93.07047	13.6
95.04970	6.7
95.06149	2.4
95.08606	10.8
97.02907	4.3
99.01402	6.9
100.02205	5.4
105.07025	3.9
107.04958	2.5
107.08599	6.0
113.01716	7.7
117.07021	4.0
119.08560	3.0
121.06592	2.2
121.07542	2.6
121.10138	2.5
125.01722	6.8
126.02484	33.3
127.03252	81.2
131.08585	4.7
133.10118	3.3
139.03268	3.3
143.02724	6.8
145.04286	40.2
145.10088	4.1
149.09546	4.2
155.02686	2.9
156.90164	2.9
157.06712	3.0
163.11317	2.4
183.05940	3.8
184.09038	3.4
185.09801	51.7
186.10654	9.9
201.06935	10.1
219.08008	10.7
247.52475	3.0
289.08603	4.3
309.30182	2.7
385.94800	3.0
387.24850	3.8
420.04327	3.7
784.53131	7.0
946.58105	100.0
947.57257	6.9
961.94189	3.2
990.55396	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	991.5597
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03391	6.9
72.77203	4.4
81.03424	4.6
81.07027	8.3
83.65199	4.7
85.02905	9.9
88.01038	4.3
95.08601	5.4
97.02892	10.9
103.22917	4.6
146.67758	4.7
151.11765	4.7
174.21388	5.5
269.46262	5.0
328.25272	5.4
341.93924	4.8
405.13614	10.2
436.44122	5.7
440.52762	5.3
519.29126	8.5
681.34235	7.5
991.55951	100.0
992.56519	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	991.5597
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03391	6.9
72.77203	4.4
81.03424	4.6
81.07027	8.3
83.65199	4.7
85.02905	9.9
88.01038	4.3
95.08601	5.4
97.02892	10.9
103.22917	4.6
146.67758	4.7
151.11765	4.7
174.21388	5.5
269.46262	5.0
328.25272	5.4
341.93924	4.8
405.13614	10.2
436.44122	5.7
440.52762	5.3
519.29126	8.5
681.34235	7.5
991.55951	100.0
992.56519	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	993.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	3.1
81.03407	4.5
82.06572	26.6
83.06126	2.0
84.04497	21.4
84.08121	4.5
86.31945	1.8
96.04498	16.4
97.02892	2.6
98.06062	7.2
108.04472	2.6
109.02866	3.0
116.07088	7.2
120.68131	1.9
126.05523	19.9
127.03893	2.6
128.07076	100.0
129.06584	2.7
130.05016	2.8
138.05495	85.4
144.06569	17.5
145.09746	3.6
147.07651	4.5
153.10262	2.5
165.10237	2.5
168.06528	16.2
173.09213	76.2
174.94008	2.1
186.07634	5.9
193.10037	2.2
199.10738	2.9
204.08710	5.0
211.10861	3.1
239.10275	19.1
244.12859	4.0
271.59265	2.3
284.12338	6.7
301.14023	10.5
302.13428	27.5
329.13535	4.0
333.17560	8.0
373.17114	3.4
445.19333	5.5
462.22150	10.8
512.16437	2.7
516.23126	5.8
630.25220	4.0
701.29327	14.2
790.34357	18.2
903.22443	2.6
904.37561	3.4
993.40472	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	994.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	1.3
71.04978	9.3
83.04969	11.1
85.02893	100.0
87.04456	0.7
90.07640	0.4
95.01324	5.3
95.04952	0.5
97.02872	1.2
99.00812	0.5
111.04427	7.5
111.59287	0.5
113.02374	1.5
114.92532	0.5
127.03912	15.7
129.05455	3.4
141.01816	24.0
147.06557	1.1
153.05478	0.5
159.02893	0.6
183.02847	3.5
201.03926	15.5
201.05757	0.9
239.09245	1.9
243.05070	0.7
257.10242	0.8
261.06027	29.5
262.06461	0.7
311.07581	4.7
342.77615	0.5
371.09833	1.2
461.40411	0.8
686.42395	0.5
756.45673	0.5
788.13129	0.5
795.54498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.416
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05495	3.1
91.05470	18.8
94.04176	5.4
94.49096	1.9
95.04979	2.8
96.20531	1.7
97.17838	2.3
103.05474	6.1
105.07014	3.5
114.38795	2.2
115.05424	3.6
117.07055	3.9
119.04935	20.5
122.03629	12.3
131.04961	5.4
137.05972	100.0
141.06958	2.9
145.06497	5.1
147.04422	17.7
149.05992	5.6
151.03918	5.5
151.07552	17.5
157.06512	4.3
161.06024	3.1
163.07558	4.5
166.12222	2.3
174.06723	5.0
175.07567	6.9
179.07045	9.4
189.06664	2.0
189.09039	6.4
201.09035	4.5
205.08450	10.2
207.18083	3.0
213.09143	2.9
219.10143	2.8
261.11304	3.2
273.11298	5.4
285.11362	2.7
298.69025	2.5
305.11688	3.0
305.72095	2.4
319.09912	2.5
329.11511	3.3
371.13019	2.4
433.16162	3.4
439.15292	3.0
494.17209	2.6
557.21710	7.2
559.23206	4.3
595.23840	3.8
601.22955	2.8
615.22675	5.2
617.23370	4.8
643.25439	3.4
707.28381	5.3
767.30951	12.9
779.30389	11.2
797.31512	10.3
899.77716	3.2
1004.79980	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	998.416
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07080	2.4
91.05475	15.8
91.19279	2.3
91.82645	2.0
94.04207	8.4
95.05041	2.7
103.05462	4.8
113.51802	2.0
115.05440	2.8
117.07076	2.6
119.04990	9.6
121.06554	4.2
122.03658	14.1
129.07036	3.0
131.04976	7.6
131.08542	2.5
133.06476	2.1
137.05971	100.0
138.06360	2.7
141.07051	4.1
143.04968	3.7
145.06514	7.1
147.04385	14.0
149.06023	5.1
151.03979	4.2
151.07507	14.9
157.06471	2.8
159.08025	2.7
161.06137	3.1
162.42384	2.2
163.07591	7.0
174.06853	5.9
175.07585	3.8
185.06062	2.6
187.07617	3.0
189.09171	8.8
201.09158	7.4
205.08652	11.8
219.08214	3.6
219.10165	16.8
221.64854	2.2
233.22632	2.7
245.09749	2.5
248.08211	3.0
261.11279	3.1
302.09125	2.4
329.11862	2.8
367.15594	4.9
389.13480	2.4
397.16367	4.9
403.15497	2.9
435.17850	5.7
459.02884	2.9
539.20190	2.8
557.21814	6.4
559.23602	5.1
570.73792	2.6
583.23755	4.5
615.21899	6.7
617.23724	4.8
619.24817	4.0
630.24774	6.3
689.28284	3.6
707.28418	4.2
719.29443	3.0
767.30621	12.3
779.30048	13.6
797.31616	18.2
810.72522	2.7
813.30743	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	998.7132
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07056	14.9
72.49070	5.9
72.79190	6.4
79.05475	27.8
81.07043	100.0
83.08611	18.8
83.89759	6.1
91.05466	32.0
93.07029	40.7
95.08594	81.1
105.07026	14.8
107.08593	22.1
109.10152	34.1
111.08064	11.7
119.08549	11.6
121.10139	21.4
123.11720	8.9
131.08546	12.3
133.10132	16.3
135.11749	20.2
149.13251	7.7
151.11241	8.4
157.14265	6.6
251.20100	16.6
307.22672	14.0
325.23749	47.5
359.60437	7.7
437.16064	9.0
508.28894	9.7
557.42139	11.7
575.42981	74.2
609.16071	8.6
635.45087	20.7
756.22900	9.8
831.96289	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	1002.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00794	1.3
74.02331	8.6
84.04404	0.8
86.02328	3.2
86.05994	0.8
87.05480	1.9
90.00075	1.3
99.05496	8.4
101.07043	0.9
101.61964	0.9
102.05484	1.6
109.03944	1.9
109.07623	0.8
111.05505	1.1
112.03968	1.2
112.26143	0.8
126.01831	0.9
127.05013	1.9
128.03412	27.0
135.05527	2.8
141.06566	2.0
143.04509	34.0
145.06078	1.1
146.04485	1.5
153.06616	3.0
160.00630	10.6
166.09821	1.6
166.86981	0.9
167.04500	2.7
177.03288	4.6
179.04521	8.0
185.05542	1.4
210.08794	8.6
254.07806	9.9
272.08881	14.9
277.21634	1.6
288.06577	7.0
306.07669	100.0
348.83078	1.0
354.05112	1.0
362.63138	1.0
432.08612	1.0
665.38403	1.1
962.38098	1.0
1002.48596	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	1002.486
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00748	0.5
74.01942	0.7
74.02328	8.3
77.25857	0.4
82.02835	1.2
86.02335	3.3
86.05954	0.7
86.98960	1.3
87.05492	2.5
90.00028	1.1
91.72778	0.9
95.53568	0.4
96.04385	0.6
97.03917	1.2
97.35226	0.5
99.05501	9.7
100.00256	0.7
101.07060	1.7
102.05452	1.6
109.03922	1.6
109.07531	0.7
111.05477	0.7
112.03933	1.1
116.01620	1.2
120.01125	0.5
123.05486	1.2
124.03902	0.6
125.03429	1.0
125.07028	0.4
126.27222	0.4
127.05003	1.8
128.03406	25.1
134.61200	0.4
135.05492	3.0
137.07076	0.6
141.06578	1.9
143.04506	36.4
145.06055	1.7
146.04471	3.7
149.07158	0.6
153.06592	2.1
159.99390	0.8
160.00639	10.1
166.09763	2.2
167.04564	2.8
167.08163	1.2
171.04068	0.7
171.07581	0.5
172.26161	0.4
177.01930	0.6
177.03297	3.9
179.04529	8.6
181.06100	0.8
184.10797	0.5
185.05600	1.4
192.07690	0.9
197.05605	1.4
198.08707	0.6
198.74159	0.5
209.11699	0.8
210.08775	8.6
236.06677	0.6
254.07803	10.9
272.08887	16.6
288.06607	6.5
306.07663	100.0
337.16568	0.6
376.10977	0.5
578.35797	0.5
741.55908	0.5
1002.48602	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	1003.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
70.48771	1.0
75.59754	1.0
78.54240	1.0
79.01753	2.3
81.03314	22.6
95.01240	9.2
97.02813	1.8
107.01248	10.5
108.02017	3.0
121.02792	1.5
123.00770	13.6
125.02320	31.3
135.50087	1.2
137.02315	1.8
141.48802	1.0
151.00261	100.0
151.05424	1.2
151.29343	1.2
152.01006	1.9
265.35318	1.3
355.08356	2.5
383.15048	57.7
648.45044	1.5
703.04962	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.5846
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01237	20.9
71.01588	1.3
72.99171	1.1
73.02818	4.3
74.02345	2.8
75.16507	0.9
83.01255	2.6
84.04968	1.2
85.02814	4.8
85.35690	1.1
87.00732	4.8
89.02293	24.6
89.02827	1.2
97.02831	5.5
99.00743	1.9
99.05527	1.7
101.02303	20.4
101.02945	1.4
113.02304	11.3
119.03352	7.1
125.02313	7.2
128.03416	7.0
131.03363	1.0
139.03856	1.2
141.89597	1.0
143.03426	4.0
143.04556	8.6
146.04514	1.1
149.04489	1.4
160.00679	3.1
161.04407	4.6
177.09265	1.4
179.05573	3.9
210.08842	1.7
221.06589	1.9
235.08151	10.2
253.09361	2.8
254.07838	1.8
267.19678	34.4
267.22464	1.9
272.09021	3.1
273.09174	1.6
277.21713	67.6
285.20712	16.8
285.23535	1.4
287.07834	3.2
305.08960	3.1
306.07687	22.7
307.07864	6.3
323.09799	1.9
327.21768	35.2
329.31921	1.2
397.13528	100.0
406.78738	1.3
415.14590	39.6
497.26166	1.2
511.78168	1.2
581.99878	1.2
675.36505	2.7
720.88824	1.2
733.89807	1.3
747.79657	1.0
890.72101	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
72.97304	0.7
72.99165	100.0
73.00757	1.5
81.03295	0.3
82.87072	0.2
83.04875	0.5
85.02788	0.2
91.23268	0.2
91.72888	0.5
91.73414	0.3
99.04435	0.5
107.04902	0.6
110.59880	0.2
111.04382	4.4
113.02304	2.4
119.04932	0.5
121.06435	0.3
123.04381	0.7
125.02300	3.2
125.05943	0.4
135.08040	1.0
136.05217	0.4
145.06502	0.5
147.04396	0.3
148.05223	0.3
150.03203	0.3
151.00311	0.2
161.05949	0.4
162.06790	0.3
163.07547	2.0
167.10690	0.4
175.07605	0.4
175.11171	0.3
186.09364	0.2
191.42772	0.2
193.12251	0.6
195.10152	0.5
203.10623	0.5
207.06573	6.9
207.10193	2.1
213.16405	0.3
217.97795	0.8
218.09409	1.6
219.06665	0.3
219.13921	0.3
225.07588	1.9
227.03418	1.6
255.03012	3.2
256.03705	0.4
257.15552	1.1
262.08395	0.4
268.10559	0.4
273.15076	0.7
275.12991	1.8
275.16061	1.2
280.98569	0.3
284.03259	5.9
285.04028	1.0
299.07773	0.4
301.14349	1.4
319.15503	31.7
320.15936	0.4
337.16577	11.1
411.16635	67.7
412.16949	1.0
593.15173	10.9
594.15448	0.4
756.46344	0.3
827.16742	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01239	14.7
72.99169	0.8
73.02795	0.8
80.73697	0.4
81.06953	7.9
83.01240	0.8
85.02805	3.8
87.00735	0.6
89.00242	0.4
89.02299	20.8
91.73318	0.4
92.53230	0.3
95.01231	1.0
101.02301	11.9
109.02801	1.1
113.02312	8.3
113.81659	0.4
119.03368	9.4
121.46560	0.4
125.02312	1.4
125.05935	2.2
131.03354	0.9
142.06429	0.7
143.03368	1.2
143.07005	0.8
146.03606	0.6
149.04431	0.6
153.09096	0.4
161.04422	1.4
164.04779	0.7
169.55019	0.4
179.05508	1.8
179.07076	1.9
180.04202	0.5
186.05466	0.8
191.07034	0.8
195.06528	0.6
202.85327	0.4
217.47037	0.4
229.13745	0.4
261.08896	0.4
288.74649	0.5
305.12436	100.0
306.12735	1.1
375.14536	2.2
420.96704	0.7
507.18515	0.5
537.19977	1.0
646.08197	0.4
658.99884	0.4
975.71252	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.5704
Annotation	Unknow
Peak:m/z	Relative Intensity
103.43449	0.3
103.91832	0.3
106.04083	0.6
107.04884	3.1
112.22578	0.4
119.04884	4.1
121.02808	0.8
133.06471	1.0
147.08023	0.5
153.92244	0.3
161.09624	0.6
163.24734	0.5
175.11195	1.7
182.21686	0.3
194.97414	0.7
196.99139	0.3
206.97380	1.1
250.84824	0.3
269.02884	0.3
269.19183	0.4
271.20682	18.9
273.22241	17.2
274.22504	0.7
281.02719	1.0
287.03696	0.4
299.03799	0.7
307.97311	0.4
309.05890	0.4
313.05234	0.4
325.12686	0.7
335.48425	0.3
343.13635	0.5
345.15088	2.8
363.16248	2.4
389.14203	5.6
435.20065	1.9
447.19940	1.4
449.21579	0.4
461.21683	0.6
462.22266	0.4
465.21033	1.7
475.22696	0.4
504.26270	0.4
522.24683	0.4
536.26123	1.0
599.35687	2.2
600.37659	0.4
601.37164	23.1
602.37305	0.4
617.36859	0.9
618.38892	0.6
619.38232	28.0
620.38177	0.4
633.36389	1.3
645.36224	15.4
688.35162	2.0
689.35150	100.0
690.35242	1.9
818.21216	0.4
933.80603	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95591	8.9
86.73173	0.7
96.82040	0.8
96.93340	1.7
96.95871	100.0
107.39178	0.8
125.02323	5.1
137.02382	1.1
139.03854	0.8
154.39064	0.9
175.03963	1.2
177.01881	6.4
219.02922	1.3
224.79144	0.8
233.67030	0.9
243.03041	3.5
248.48499	0.9
303.05331	1.4
305.06714	2.0
306.60748	0.9
423.07547	2.5
429.08066	1.2
441.08392	1.1
483.09320	1.4
544.27185	1.0
559.08270	2.0
609.12506	1.1
619.10529	1.0
727.13367	5.3
745.14240	2.6
913.18622	3.7
955.11334	1.0
1047.80493	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
80.00868	1.6
81.46224	1.8
83.01283	1.8
93.03277	1.8
96.95878	14.2
107.04885	3.2
109.02829	7.8
111.04376	3.3
120.14468	1.6
121.02827	5.0
124.01579	2.6
125.02312	91.9
131.04901	2.2
133.02846	3.9
137.02324	24.3
139.03886	6.2
149.02303	8.4
151.03920	10.7
157.23715	1.6
159.04385	1.8
163.00314	4.6
163.03868	4.1
164.01070	6.0
165.01831	14.4
165.43175	1.5
167.03358	7.5
175.03914	23.8
177.01849	100.0
177.05247	3.3
177.09016	2.0
179.03441	6.4
187.03923	7.3
189.01823	3.4
189.05406	1.8
191.03525	4.7
193.04964	2.1
199.03946	11.1
201.01901	1.9
203.03377	3.5
205.01459	3.7
215.03485	3.2
217.01408	3.1
217.04997	14.8
219.02925	6.0
219.06589	5.4
221.04549	5.0
227.03470	2.9
229.05042	3.5
231.02872	4.6
243.02968	53.5
255.02963	21.5
256.03711	4.8
257.04608	3.6
259.06192	3.1
261.04041	18.7
269.04617	5.7
273.03946	4.3
281.04620	2.1
283.02570	11.2
285.04041	5.7
293.04385	2.4
295.02518	2.0
297.04123	6.4
299.05518	3.0
303.05115	21.4
305.06711	31.2
315.05038	4.6
374.04236	2.9
379.04504	2.5
391.04654	3.1
395.07663	2.0
399.06796	2.1
421.05692	3.4
423.07248	34.6
429.08557	8.5
439.06854	4.1
441.08585	9.1
481.07779	3.7
483.09344	10.2
541.08221	13.4
559.08826	19.9
577.09882	5.5
607.10297	11.5
609.12488	16.5
619.11127	4.2
709.12262	2.6
727.13141	42.2
745.14258	15.5
787.15424	5.9
913.18414	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	1013.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
75.88893	2.7
80.60593	2.8
86.35291	3.0
91.73406	6.3
96.95848	4.1
108.02040	6.1
108.79258	2.9
109.02875	3.7
109.37067	3.1
117.02281	3.0
118.92638	3.5
121.02848	6.5
122.03658	5.3
123.04448	4.9
128.24118	3.0
135.04445	5.9
136.01601	13.0
137.02350	8.3
147.04401	4.0
149.02339	5.5
149.06001	4.6
150.03130	21.9
151.03912	16.3
162.03098	3.9
165.05533	14.8
180.04282	7.7
188.13713	3.7
195.06573	10.1
225.05547	5.1
228.04440	4.9
239.07211	4.6
241.05133	10.4
242.05801	8.6
243.06657	11.6
253.05130	4.5
254.05998	6.7
255.06686	7.4
257.08328	4.7
265.05289	4.1
267.06717	6.0
268.07486	5.5
270.05441	8.6
271.06091	24.9
273.07690	5.6
279.06744	4.3
282.05414	4.1
283.06241	6.4
284.06958	8.2
285.07739	15.7
286.08557	19.8
287.09225	4.3
295.06357	6.0
297.07727	5.0
299.09299	4.3
300.10440	4.5
301.07352	9.1
301.10788	5.8
309.07587	7.3
310.08569	7.2
311.09351	6.8
318.07422	22.8
321.07895	6.0
323.09491	7.2
324.10132	6.3
325.10931	4.8
329.06693	5.5
332.08954	7.1
338.11517	5.7
341.10379	4.5
344.09128	28.7
359.11386	59.5
359.15543	5.1
389.12314	7.0
447.14813	4.1
475.13528	6.0
489.15482	3.8
505.18933	11.8
522.19220	5.8
535.16553	10.3
550.18372	17.8
565.20862	100.0
577.20831	31.7
581.20258	32.9
595.21747	54.9
611.21826	24.3
630.74158	4.0
709.26208	4.8
743.27649	6.6
757.28900	24.7
791.29431	75.8
953.36688	10.8
965.36438	8.2
995.36877	6.6
1013.38287	94.2
1014.39539	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	1013.6173
Annotation	Unknow
Peak:m/z	Relative Intensity
73.24527	2.9
82.14555	3.3
100.48796	3.1
116.61582	3.4
122.59602	3.3
162.72946	3.6
206.97617	3.2
214.91383	3.3
222.63759	3.1
273.22318	21.2
275.23779	13.3
303.41382	4.1
322.96848	4.4
365.17661	3.9
391.76758	4.4
605.40717	13.7
623.41443	36.2
649.39496	12.6
692.38147	6.5
693.38226	100.0
695.31433	5.2
740.17834	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	1015.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95589	7.2
95.06656	0.2
96.93046	0.7
96.95866	100.0
96.98323	1.6
134.83060	0.2
151.00243	0.4
164.09821	0.2
176.28322	0.2
178.99715	0.2
223.67039	0.2
230.59877	0.2
243.02994	0.4
255.02917	0.3
271.02502	5.3
299.01962	8.4
300.02740	2.5
301.03528	0.7
340.12531	0.2
462.08121	2.1
536.47937	0.2
755.20715	1.2
917.25726	6.6
1015.21289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01237	2.6
72.95686	0.7
77.75771	0.7
79.53724	0.5
81.03298	1.3
82.25654	0.5
83.04897	1.1
85.02811	6.5
87.00735	1.4
89.73309	0.4
89.93154	0.4
93.03318	27.6
93.05711	0.6
109.02819	1.6
111.00771	0.6
111.04367	5.1
113.02314	1.3
120.89639	0.4
126.22165	0.5
127.03864	1.7
134.62184	0.5
136.61092	0.5
137.02313	5.0
155.03384	5.5
171.02907	0.6
173.04463	94.5
191.05542	100.0
253.15967	1.0
259.04620	1.7
269.19165	4.3
271.20679	4.3
297.18631	8.8
315.19702	4.8
333.17056	0.7
333.20743	9.9
357.20663	0.6
375.21796	78.6
375.92984	0.5
376.21988	1.2
412.20392	0.5
419.20807	24.0
593.26105	76.7
594.26465	1.5
715.58270	0.8
1021.25146	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
77.18509	0.6
78.22601	0.7
82.02832	2.2
96.95824	0.8
112.03857	1.0
120.04387	1.3
131.59366	0.7
136.07518	0.9
148.03926	11.5
149.04716	6.5
150.05493	14.0
150.09167	3.4
154.04979	2.5
160.03903	1.5
161.04732	6.5
162.05513	1.5
163.02676	1.8
164.03429	4.0
173.03477	6.4
173.04755	1.1
174.04243	16.2
174.05519	0.9
175.04990	4.1
175.06316	3.1
177.06491	1.1
186.05554	1.4
187.06273	2.0
188.07175	1.2
189.06630	7.2
190.04968	1.0
190.07393	19.0
190.09077	1.1
191.08157	2.0
199.07529	0.9
200.07095	2.1
201.07921	2.2
202.07362	2.9
202.08914	1.3
203.08191	0.9
213.06624	0.8
213.10359	1.4
214.11101	1.5
215.08138	1.2
217.07378	2.5
217.09714	1.8
221.41031	0.7
224.07204	1.0
227.09505	1.3
228.06572	1.9
231.07703	14.1
232.08499	30.1
233.09340	3.8
241.09792	0.9
242.08197	2.3
242.10526	1.5
243.07730	2.6
243.11308	1.2
244.08224	9.5
245.06917	1.0
245.09265	2.9
246.07771	0.9
247.08485	1.1
252.89590	0.9
255.63531	0.8
259.10742	1.2
262.09494	2.2
267.07773	1.6
268.08594	1.4
285.08792	2.7
286.09662	7.7
299.14014	9.9
303.09952	2.2
304.10736	1.3
324.13599	5.1
325.11835	1.0
340.16666	1.5
353.15030	1.7
359.74225	0.9
382.17740	15.6
393.18085	1.3
394.17822	4.8
395.15970	1.3
412.18719	2.6
418.17847	1.1
436.18869	8.1
437.17307	3.0
449.16705	1.3
454.19867	55.4
467.16916	2.4
545.23883	2.9
555.65070	1.0
599.25537	5.0
617.26257	100.0
618.26764	2.0
626.49823	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99160	0.6
74.78671	0.5
74.79030	0.3
78.95757	4.1
85.02811	0.4
90.04076	0.2
93.03288	0.3
96.96819	3.8
101.02254	0.3
106.04102	0.2
107.01220	0.3
107.04888	0.5
113.23097	0.2
119.04901	0.6
121.02798	0.8
125.02301	0.3
137.99451	0.3
147.07994	1.5
151.00139	0.2
161.09645	0.4
165.66789	0.3
175.11136	0.4
177.12761	4.4
180.17332	0.2
185.06027	0.3
203.10681	7.7
217.01437	0.2
221.03438	1.1
221.11777	100.0
222.12149	0.7
227.03459	4.6
229.04941	0.5
247.09740	0.4
255.02991	10.2
256.03769	0.6
261.28088	0.2
265.10809	58.5
266.11154	0.5
283.02606	0.5
284.03250	13.5
285.04074	2.8
300.02701	0.3
301.03568	0.3
341.70554	0.2
383.17142	0.7
411.16129	0.4
426.22696	2.2
427.16092	53.3
428.16345	0.6
546.37201	0.3
593.15192	14.2
594.14996	0.5
598.16748	0.3
609.14740	0.3
813.57562	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04880	0.4
72.33126	0.4
72.99164	32.4
73.00780	0.5
75.06673	0.4
89.05659	0.4
97.06441	1.4
128.81430	0.4
135.64236	0.4
136.01981	0.4
146.03581	0.6
161.09677	0.9
181.12231	1.4
189.09181	1.0
191.10715	1.0
209.11781	1.7
219.10248	3.3
235.09756	0.5
246.47141	0.5
263.09271	3.0
263.65167	0.9
279.08701	0.7
307.08188	1.4
325.09293	100.0
387.63464	0.4
441.87137	0.5
476.71793	0.6
755.69672	0.6
783.15753	0.5
786.14404	0.5
966.15552	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01233	3.8
72.99172	10.4
80.87477	1.4
85.02797	1.9
93.03310	22.9
93.03848	2.3
96.95889	2.4
99.00711	3.1
101.02306	3.0
107.04893	13.3
125.02316	5.7
127.01616	1.5
133.02870	1.5
135.04424	4.7
137.02267	2.0
139.03941	1.6
149.05969	3.5
163.03934	2.7
165.05463	26.1
177.01860	5.6
193.04973	7.9
305.06833	2.6
341.08838	4.8
355.10208	2.0
417.10434	100.0
423.07083	4.6
441.08307	2.4
522.37152	1.7
609.12543	4.0
666.64288	2.2
696.06250	1.9
840.54016	1.8
851.54663	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	1029.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
72.21705	2.0
83.38300	1.9
85.11636	2.2
98.76260	1.9
115.83655	2.1
121.02820	3.0
123.04345	2.7
136.01582	1.8
146.03659	3.1
149.02354	5.6
150.03094	16.4
164.04707	2.9
165.05438	11.1
178.01491	2.3
180.04195	3.4
189.56297	1.9
195.06554	7.6
211.07706	2.5
219.06743	2.5
239.07133	7.1
243.06624	3.4
255.06384	2.5
267.06689	18.7
268.38397	2.2
276.39075	2.4
281.08054	3.7
282.08969	16.7
283.05988	3.4
290.07935	3.1
291.06369	2.6
298.08588	3.0
301.07135	3.5
314.08008	11.6
321.11392	3.3
327.41800	2.2
340.09390	20.1
348.08310	5.0
355.11917	41.9
434.06360	2.6
513.68494	2.7
517.34625	2.2
577.20819	100.0
587.45105	2.5
773.28406	15.9
777.53357	2.3
807.28906	22.5
828.92303	2.8
860.34210	2.9
1029.37537	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
79.77000	1.0
82.02863	1.7
83.04891	1.0
120.04456	1.0
122.05944	0.8
124.07607	1.1
129.03851	0.7
129.05460	1.6
134.06050	0.8
136.07582	3.8
138.09152	3.3
145.06461	0.9
147.03197	1.8
148.03908	7.2
149.04787	2.8
150.05479	8.3
159.08102	1.5
160.04016	2.3
161.04782	3.7
162.05550	1.5
164.03555	1.0
172.05273	2.3
173.03517	1.5
173.04749	2.3
173.06044	6.2
173.09634	1.1
174.04237	4.5
174.05582	6.6
175.05099	2.1
187.06398	1.0
188.07249	0.9
188.27255	1.0
189.06654	2.1
190.07373	1.8
190.08884	1.0
191.08194	2.1
193.28731	1.0
197.20032	0.8
199.07657	3.4
200.06927	1.1
200.08546	1.4
201.07861	3.0
201.09393	5.9
202.08661	7.2
213.09261	2.4
214.08751	3.3
216.10266	1.7
226.08727	2.2
227.07236	2.3
228.06665	1.4
229.07538	1.3
232.08644	2.8
233.09279	1.9
242.08249	8.3
243.09117	7.7
243.11307	1.6
244.09857	15.4
245.09297	1.2
255.03082	1.3
256.09882	3.5
287.13995	5.3
297.12457	1.3
300.03049	1.1
312.13309	4.2
320.16568	1.4
328.16827	2.0
338.17648	1.1
339.17261	4.0
341.15158	1.2
363.17221	2.0
370.17621	10.5
381.18216	100.0
382.17776	4.0
424.19034	3.0
425.17374	2.2
442.19937	10.1
475.20135	3.9
533.23956	1.0
536.94623	1.0
587.24835	3.8
605.26184	58.3
747.18127	1.3
785.76752	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95752	0.9
82.02844	2.6
82.59052	0.4
89.18106	0.8
94.91582	0.5
98.38376	0.6
105.80717	0.5
108.04423	0.7
109.50915	0.5
111.56869	0.5
112.03872	1.0
120.04486	1.4
122.05989	0.7
122.22760	0.5
126.36565	0.5
131.59343	0.6
131.60194	0.9
131.83727	0.5
135.03160	0.6
136.07491	0.7
139.02586	0.5
146.02402	0.5
147.03125	0.7
148.02814	0.8
148.03929	11.5
149.04715	6.3
150.05498	14.5
150.09129	3.3
154.05006	1.5
160.03963	1.5
161.04732	4.5
161.07111	0.7
162.05544	1.3
163.02621	1.9
164.03433	5.2
172.07549	0.5
172.19923	0.6
173.03453	5.3
173.04736	1.1
173.97198	0.6
174.04247	18.4
174.05473	1.2
175.02716	0.6
175.04993	4.7
175.06322	3.3
176.05800	0.7
177.06601	0.8
183.61185	0.5
186.05481	1.0
187.06290	2.1
188.05690	0.7
188.07137	1.4
189.06587	9.2
189.10184	0.6
190.07401	23.2
191.05862	1.3
191.08138	2.5
200.07043	1.7
201.07965	2.9
202.07117	3.3
202.08752	1.9
203.05902	1.0
203.08144	1.3
203.86549	0.5
213.06589	0.8
213.10262	1.3
214.11032	1.6
215.08173	1.4
215.11667	0.5
216.06799	1.2
217.07373	1.8
217.09776	1.9
224.07027	0.7
227.09578	1.2
228.06633	1.3
231.07721	13.8
232.08502	30.6
233.09337	3.9
241.09819	1.7
242.08176	2.8
242.10657	1.3
243.07657	2.1
243.09105	1.5
243.11328	1.1
244.08200	9.0
245.07025	1.0
245.09322	3.3
246.07727	1.1
247.08441	0.8
259.10913	1.0
261.08792	1.6
262.09543	2.2
267.07794	1.1
268.08527	1.3
285.08865	2.4
286.07132	0.9
286.09677	7.8
287.10443	1.3
289.09604	1.0
297.12567	0.7
299.14053	11.8
303.09845	1.6
304.10754	2.8
305.11588	0.6
306.07605	1.1
324.13522	5.4
325.11740	0.9
337.10672	1.4
340.16699	1.2
353.14975	1.7
364.16324	0.6
375.21808	1.2
382.17755	15.7
393.18176	1.4
394.17838	4.0
395.15103	0.6
412.18713	2.3
418.17694	1.2
436.18811	7.3
437.17093	2.4
449.16104	1.0
454.19852	51.0
455.20215	0.7
467.16840	2.7
539.84369	0.6
545.24139	3.2
575.24652	0.7
599.25116	5.5
617.26239	100.0
618.26746	1.5
850.15778	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
74.05141	1.0
76.32207	0.9
81.07388	1.0
91.72679	1.5
109.02843	1.4
121.02828	1.9
122.03599	5.0
125.02367	2.7
134.03638	2.3
135.04466	3.9
136.01553	3.1
136.73665	1.1
137.02396	3.1
139.03938	1.3
151.03917	1.4
166.02679	3.7
174.75264	1.0
177.01901	2.6
178.02534	5.2
179.03409	9.6
179.07043	1.7
181.01463	3.5
190.82141	1.1
193.05046	2.4
195.02971	2.1
198.01613	5.9
228.02826	3.5
255.06700	3.7
258.09006	1.4
269.08810	1.2
270.09012	2.3
272.57489	1.2
273.11258	1.1
301.10660	1.9
314.07916	1.9
315.12506	4.6
316.12885	3.5
317.10074	5.4
329.10403	4.4
346.33466	1.1
347.11359	100.0
348.11771	1.4
1006.90839	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	1049.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
75.58057	2.6
76.11127	2.8
83.01241	6.6
94.80988	2.5
107.04919	4.3
109.02824	10.1
111.04401	3.7
115.14490	2.6
121.02852	6.1
123.00737	3.6
123.04366	4.1
125.02312	99.1
133.02849	3.9
137.02315	27.0
139.03893	9.0
149.02324	11.7
151.03903	9.4
161.02316	3.8
163.00264	3.3
163.03975	5.1
164.01082	4.3
165.01833	14.0
167.03439	17.2
175.03914	17.6
176.01045	5.7
177.01848	100.0
177.05400	3.8
179.03409	8.5
187.03970	6.9
189.01878	6.1
191.03412	7.9
199.03810	4.5
201.05472	4.3
205.01378	3.4
215.03494	5.7
217.01509	4.4
217.04994	6.6
219.03012	4.8
219.06577	7.2
229.05060	8.0
231.03033	6.0
243.02997	19.6
255.03000	29.8
256.03860	4.8
257.04706	6.1
261.04144	12.9
261.07669	26.4
273.04205	5.6
283.02585	10.1
285.04056	6.0
297.04172	10.4
303.05121	21.0
305.06744	41.9
313.07132	4.0
353.10336	6.7
355.08078	6.0
364.05704	4.8
379.08273	22.7
397.09418	16.5
423.07281	42.2
439.10355	8.5
441.08322	15.5
466.47949	3.8
481.07919	5.2
483.09427	14.4
511.93478	3.8
527.09674	6.7
557.10999	5.8
565.13275	7.5
575.11957	4.6
591.11005	4.6
609.12805	18.5
677.13281	14.6
695.13971	15.1
713.15436	6.6
743.16241	7.4
787.15118	5.5
863.18475	19.8
881.18890	10.1
994.11511	3.5
1049.24207	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	1051.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
77.07964	0.6
78.20699	0.5
90.88707	0.5
94.73053	0.6
96.81503	0.5
107.01254	0.9
108.02023	0.9
111.12428	0.7
112.87946	1.2
112.88678	1.0
118.69382	0.6
134.71045	0.5
151.00281	3.5
151.01286	0.7
178.99770	2.9
179.22778	0.5
185.54381	0.6
198.79932	0.7
210.17059	0.6
215.03419	0.8
227.03436	2.0
242.60922	0.6
243.02982	9.2
254.02217	2.0
255.02965	24.6
271.02475	56.3
272.03061	1.8
299.01953	3.0
300.02744	100.0
301.03427	5.4
334.10062	0.6
755.20447	95.0
756.20728	3.9
814.24091	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
74.27629	0.6
79.05383	0.5
81.03312	3.6
83.04887	1.6
91.73382	0.9
92.44608	0.5
93.03342	0.9
95.04880	2.1
96.14600	0.4
97.21442	0.4
99.08011	60.9
107.01240	0.8
111.00729	0.7
111.04369	8.4
114.44631	0.7
114.45271	0.6
123.04384	64.6
125.02312	1.2
127.03852	0.8
136.05113	0.7
151.00256	1.8
155.03392	17.2
163.00223	0.8
171.70921	0.6
179.14339	0.8
199.02335	0.7
227.03452	17.5
229.05020	0.5
246.57436	0.5
255.02982	34.9
256.03619	2.2
257.04501	0.6
283.02466	1.3
284.03259	52.4
285.04010	7.6
311.11377	100.0
315.58264	0.5
332.67862	0.5
351.06287	0.5
431.66821	0.6
521.98151	0.8
575.14197	0.7
683.11560	0.5
739.20990	75.0
740.21033	1.4
893.33344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95759	100.0
78.97533	1.5
79.82407	1.4
85.02781	2.3
89.00963	1.4
94.18904	1.4
96.96818	17.5
111.16738	1.4
113.02292	1.7
123.50338	1.4
149.60260	1.7
151.26396	1.5
204.93791	1.4
223.00087	8.3
226.32475	1.6
230.37505	2.0
288.80621	1.5
320.61703	1.9
376.22620	4.7
391.28708	1.9
403.06445	16.0
421.07904	2.3
533.84845	1.8
685.12079	2.0
718.34631	4.6
732.86047	1.7
758.18195	5.9
760.35419	4.4
1055.44421	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
77.64913	0.4
80.41424	0.4
83.01237	0.4
85.62604	0.4
89.02306	0.7
97.02850	0.4
98.41347	0.4
101.02302	0.6
101.19392	0.3
104.35876	0.4
104.36478	0.4
107.01255	0.9
107.61737	0.8
108.02037	0.4
108.46559	0.3
115.03902	1.3
119.03397	0.4
119.04890	3.5
120.48129	0.3
121.02814	0.6
125.02308	1.9
145.02939	0.6
149.02295	0.6
151.00243	3.0
163.00250	1.0
165.01817	1.3
167.03404	0.4
167.23666	0.4
171.04498	0.5
179.03439	0.4
183.04553	0.6
187.03896	0.6
193.01350	3.3
199.03975	2.2
203.03546	0.4
215.03455	0.7
223.02269	0.5
227.03525	2.8
227.07051	0.7
228.04469	0.4
242.02206	1.9
243.00484	0.8
243.02969	16.8
244.03712	1.1
253.14384	0.5
254.02179	0.7
255.02991	12.5
256.03772	0.4
257.04605	2.4
259.06168	0.7
270.01721	2.9
271.02502	32.9
271.05603	1.2
271.15573	1.0
272.03293	2.9
285.04034	4.8
286.04794	1.2
287.05759	1.1
299.01978	32.0
300.02747	27.7
301.03201	1.0
313.03757	0.7
313.07172	11.7
314.04337	31.6
315.05118	63.8
316.05368	1.0
325.07291	0.6
343.08310	3.4
345.06265	0.5
357.06137	0.8
394.04230	0.4
433.11798	4.0
433.20792	3.6
506.22455	0.4
623.16211	100.0
624.16504	2.5
653.15961	0.4
672.21350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
77.04082	0.7
86.08567	0.7
93.03303	1.3
104.88314	1.0
104.88948	0.9
107.01249	1.3
108.97354	0.6
109.02833	1.5
109.85619	0.7
116.30582	0.6
121.02831	2.6
125.02302	14.8
133.02846	1.0
147.00754	1.0
148.01538	6.2
149.02359	3.9
151.00221	3.3
163.00304	2.0
164.00984	0.9
173.02325	0.8
175.03951	1.7
176.01065	1.6
177.01837	27.0
178.99780	1.8
183.04410	1.3
187.03944	1.1
197.05908	0.8
199.03928	16.5
201.01863	1.5
202.99689	1.1
203.03423	1.8
211.03839	1.2
213.01947	1.2
214.02733	1.8
215.03426	1.5
225.01942	3.5
226.02711	1.2
227.03346	5.0
229.01488	1.5
236.34683	0.7
239.03560	1.8
242.02293	0.9
243.02971	86.0
255.02975	20.2
256.03650	1.0
261.04041	3.4
267.03000	1.3
268.16888	0.9
269.00964	8.4
271.02487	33.8
272.03143	1.9
281.00803	0.8
282.01624	2.0
283.02478	21.1
284.03308	1.7
295.02515	1.3
299.01782	3.6
300.02750	57.6
301.03433	5.5
303.05273	1.2
311.02097	0.9
312.02853	1.4
321.04068	2.0
340.02277	1.9
347.05634	2.3
350.04227	0.9
361.03568	1.0
363.04993	1.6
365.59982	0.9
373.03735	2.7
389.03159	2.0
390.03802	1.5
392.05182	4.7
393.05618	1.0
418.03403	6.1
419.04147	1.1
422.06766	1.2
538.37097	0.8
589.15039	0.8
647.18542	3.7
755.20404	34.5
756.20392	1.4
805.21942	1.1
847.22638	0.9
862.88623	1.0
873.21136	7.4
891.22070	100.0
892.22388	2.1
933.22858	4.5
1015.26868	1.6
1041.24512	1.1
1059.26196	29.1
1064.46802	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.6107
Annotation	Unknow
Peak:m/z	Relative Intensity
77.32484	0.7
81.03303	4.9
83.04871	8.9
93.01005	1.4
93.03314	83.1
93.05897	0.9
95.01225	1.2
104.19990	0.9
111.04379	25.0
132.93959	0.8
137.02321	72.5
154.98459	1.4
155.03391	100.0
175.02409	1.2
180.31622	0.9
200.80208	0.8
249.18578	14.7
255.23230	1.9
274.08151	1.0
289.99625	0.9
361.27579	2.7
397.13477	8.3
404.25211	1.4
405.22537	37.2
415.14731	3.2
650.83002	1.4
1032.50427	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.294
Annotation	Unknow
Peak:m/z	Relative Intensity
75.54659	0.3
77.26310	0.3
97.02820	0.8
98.41348	0.4
101.83525	0.3
104.35842	0.4
104.56609	0.4
104.57197	0.5
107.01274	0.5
107.61031	0.7
107.61739	0.7
111.34530	0.3
113.02288	1.7
125.02316	4.0
141.01814	0.5
151.00285	1.6
153.53078	0.4
163.00223	0.5
183.04393	0.5
199.03871	1.7
200.84409	0.4
215.03452	0.8
226.02631	0.5
227.03452	2.3
229.01479	0.4
231.13788	0.4
242.02251	1.7
243.02992	10.6
244.03773	0.8
254.02122	0.7
255.02982	11.1
257.04504	1.7
259.13458	0.7
270.01608	1.6
271.02496	32.9
272.03296	2.0
285.04025	3.4
286.04810	0.9
287.05612	0.7
298.98495	0.7
299.01978	28.5
300.02756	45.0
314.04346	19.3
315.05115	51.7
321.13446	0.8
383.13516	6.3
411.13138	0.5
439.12708	2.2
623.16223	100.0
624.16364	1.2
795.03577	0.4
951.95117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02843	3.9
82.31122	0.7
83.04819	0.7
88.94657	0.6
91.73412	1.3
96.86615	0.6
109.51717	0.5
112.03918	2.4
120.04410	3.4
121.06432	0.8
122.05945	1.1
122.32736	0.6
129.05428	2.2
134.05972	0.9
136.07597	3.6
138.09126	2.1
139.02643	0.8
147.03139	0.8
147.04402	0.8
147.05551	0.9
148.03937	28.3
149.04718	2.3
150.01816	0.7
150.05499	18.7
154.04990	2.1
160.03926	9.7
161.04723	54.4
162.05493	3.8
163.02711	0.8
164.03459	1.7
164.07047	0.9
173.03444	3.5
173.04779	1.5
173.06015	1.5
174.04248	6.6
174.05536	2.7
175.05037	58.4
176.05788	5.0
177.06696	1.6
186.05513	1.6
187.06334	2.8
188.07076	1.5
189.06610	4.5
190.04958	1.1
190.05556	0.9
190.07385	12.2
190.08864	1.1
191.08220	7.1
200.07072	1.5
200.10728	0.8
201.07875	2.8
201.09207	2.5
202.03638	1.6
202.08727	13.2
203.04564	14.4
203.08177	0.9
204.06633	1.2
213.06668	0.8
213.10275	1.3
214.05211	0.8
214.11128	1.5
215.05849	2.0
215.08054	1.5
216.06680	6.0
216.10214	1.2
217.07529	1.7
217.09660	1.5
219.11363	1.6
226.08655	1.5
228.06635	2.5
229.07428	2.3
231.07681	2.6
232.08513	11.8
233.09279	31.6
241.09874	1.4
242.08316	1.2
242.10597	0.8
243.07654	1.4
243.11353	1.1
244.09827	74.2
245.06903	1.4
245.09264	8.5
247.08667	1.1
261.12656	0.8
263.10425	3.2
269.09509	0.7
271.08624	0.8
285.08954	0.9
285.12646	0.8
286.09674	4.2
287.10461	8.6
287.13733	1.4
288.08813	7.9
295.10867	2.6
304.10587	0.8
305.11459	17.0
312.13556	0.8
313.11978	1.1
338.11557	8.2
339.12173	1.0
370.17780	3.5
382.17804	1.1
396.15414	1.2
400.18961	1.5
424.18881	1.2
442.19934	5.5
454.19675	1.9
455.18344	1.0
467.17017	1.4
468.17792	100.0
469.17792	0.8
472.20975	15.3
563.25293	1.3
605.26306	34.2
606.27148	1.2
617.26428	1.9
635.27277	68.9
754.10547	0.7
904.13550	0.8
941.82666	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.6285
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03323	0.2
96.95879	0.2
107.04918	0.2
109.02825	0.2
117.03290	0.2
119.04877	0.2
121.02794	0.3
123.04343	0.2
124.01540	0.4
133.02855	0.2
135.04375	0.2
137.02313	1.2
145.02805	0.4
150.03116	9.2
151.03894	4.4
161.02338	0.6
162.03122	17.2
162.08591	0.2
163.03889	2.0
165.05463	7.9
175.03958	0.4
177.05484	3.3
178.02565	0.5
179.03409	8.3
180.04189	47.3
180.10735	0.4
181.04594	0.3
193.04991	0.8
194.05766	3.8
195.06551	100.0
195.13945	0.9
196.06903	0.6
225.16151	0.2
225.64099	0.1
226.06516	0.2
357.98523	0.1
359.11295	1.8
371.11383	1.3
386.89432	0.2
389.12546	1.2
451.32800	0.3
463.23340	0.2
489.18628	0.1
509.46671	0.2
565.27612	0.2
612.63348	0.2
624.31219	0.2
677.49750	4.4
807.27325	0.2
864.80292	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	1069.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
87.25879	0.5
90.07334	0.5
92.27531	0.6
107.01235	0.8
107.08527	5.0
113.44710	0.9
113.45371	0.9
139.07549	0.7
151.00250	2.3
151.07535	48.4
167.01527	0.6
169.08594	5.4
178.99736	0.7
195.06567	11.8
195.08206	1.2
199.03996	1.3
204.00320	0.6
213.07591	3.8
214.32303	0.6
227.03484	1.5
243.03032	4.6
255.03004	6.8
255.08708	8.4
271.02487	41.7
272.03030	1.0
285.04156	1.1
298.87933	0.7
299.01971	63.8
300.02750	35.3
301.03406	2.1
314.04340	17.5
315.05151	11.1
319.93115	0.7
324.02783	0.8
348.53430	0.7
357.06195	0.7
359.02667	0.8
594.52130	0.8
609.14734	6.6
769.22046	100.0
770.22455	1.3
849.56067	0.9
862.88837	0.8
935.23566	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.6313
Annotation	Unknow
Peak:m/z	Relative Intensity
80.52009	0.1
85.02814	0.2
87.00716	0.2
89.02299	0.7
93.03306	0.3
94.48249	0.1
96.34051	0.1
101.02325	0.8
106.04308	0.1
112.80036	0.1
113.02271	0.3
116.99995	0.3
117.03323	21.3
118.04111	2.0
119.01505	0.4
119.04889	21.7
120.05256	0.1
121.02818	5.9
123.04373	1.5
125.02318	0.3
132.02072	0.2
133.02831	1.7
134.03569	0.5
142.50203	0.1
143.04535	0.2
144.98225	0.6
145.02832	45.1
146.03218	0.2
147.04376	0.2
162.03131	2.5
163.03899	11.1
235.08142	0.3
242.75336	0.3
255.23286	2.9
255.25842	0.3
287.07889	0.2
305.08856	0.2
371.26022	0.3
397.13553	4.7
415.24918	100.0
416.25275	1.3
586.83575	0.2
653.37885	0.3
866.82892	0.2
1069.54480	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	1069.632
Annotation	Unknow
Peak:m/z	Relative Intensity
78.85848	0.2
83.01240	0.2
85.02794	0.3
87.73746	0.3
89.02297	0.7
89.03826	0.2
93.03291	0.3
101.02322	0.9
105.11880	0.2
113.02290	0.3
117.00185	0.3
117.03326	20.3
118.04123	2.0
119.04893	22.4
121.02824	6.7
123.04371	1.5
125.02322	0.2
133.02826	1.5
134.03575	0.4
145.02834	45.6
145.07797	0.4
158.84615	0.2
162.03119	2.6
163.03905	10.6
167.68520	0.2
179.05585	0.3
212.98714	0.2
235.08301	0.2
242.75339	0.3
255.23288	2.8
277.36176	0.2
296.80603	0.2
343.24741	0.2
354.57819	0.2
371.26022	0.4
397.13504	4.1
415.24930	100.0
416.25287	0.9
531.77338	0.2
551.59698	0.2
669.29535	0.2
684.37067	0.2
866.82947	0.4
866.98615	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96272	0.2
65.01295	0.4
65.03820	0.4
65.72890	0.2
66.29064	0.2
72.81895	0.2
75.68625	0.2
79.05390	0.5
83.36245	0.2
89.52000	0.2
92.02528	0.7
95.01217	0.3
98.47020	0.2
106.04116	0.5
107.02016	1.3
107.04887	100.0
107.08098	1.0
107.94548	0.3
108.02013	0.7
108.04409	1.1
108.05231	2.0
108.93253	0.2
113.06001	0.2
121.02830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.7039
Annotation	Unknow
Peak:m/z	Relative Intensity
88.17736	0.1
92.02522	0.5
93.03323	0.2
95.01255	0.2
106.04081	2.1
107.04855	0.6
108.02001	0.4
108.34202	0.2
117.36827	0.2
119.04894	6.7
119.05753	0.4
121.02020	0.3
121.02823	4.2
133.06476	3.4
137.02292	0.3
147.08005	0.3
149.36192	0.2
152.53746	0.2
161.09521	0.5
175.11148	0.4
184.84058	0.2
189.12756	0.3
208.82608	0.2
231.17416	0.2
237.77888	0.4
271.20679	0.3
273.10730	0.9
273.22250	100.0
274.22604	0.7
293.88489	0.2
317.21219	85.2
318.21588	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04465	0.4
81.03345	0.4
99.08003	0.6
101.05936	1.1
103.14355	0.3
106.04119	1.1
107.01259	0.8
107.04903	1.4
109.06450	1.0
118.04115	1.0
118.52764	0.4
118.53432	0.6
119.08515	1.0
121.02825	3.5
127.07485	0.5
130.07034	0.4
134.03610	1.1
135.04407	0.8
135.11671	10.7
135.98309	0.4
136.05193	0.9
147.11665	1.3
149.09616	0.8
151.00252	1.9
151.11110	0.5
153.01813	0.4
158.57500	0.3
162.03133	0.6
163.11186	48.2
164.11565	0.4
165.09085	0.4
165.12766	6.0
175.11176	4.9
178.99797	1.4
191.10681	4.5
193.12260	6.4
199.03911	0.5
207.10228	1.4
209.11774	1.5
219.10201	1.7
222.52640	0.3
227.03455	0.6
235.09790	0.5
237.11307	1.3
243.02957	2.5
254.02243	0.6
255.02957	7.3
261.20813	0.3
271.02493	16.0
272.03580	0.6
281.10187	0.4
285.17197	0.3
299.02029	1.3
300.02759	32.2
301.03491	3.9
324.94052	0.9
325.09299	100.0
326.09421	0.5
535.82532	0.4
591.13348	0.5
609.14746	11.1
755.18365	47.6
868.68231	0.5
882.11615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.358
Annotation	Unknow
Peak:m/z	Relative Intensity
85.23357	0.9
95.48060	0.9
98.30363	0.9
125.46094	0.9
136.07462	2.4
141.70729	0.9
148.03922	10.1
149.04735	3.9
150.05484	12.3
154.04965	1.4
160.03967	1.4
161.04716	4.2
162.05534	2.3
164.03424	3.5
166.08615	1.7
173.03458	6.3
174.04254	13.8
174.05556	1.8
175.04980	4.5
175.06242	2.1
176.05856	1.6
177.06647	1.2
186.05551	1.3
187.06343	1.7
189.06593	7.8
190.07381	18.1
200.07060	1.6
201.07907	2.8
202.07243	2.5
202.08868	1.4
214.11063	1.5
215.08147	3.8
217.07530	2.3
217.09668	1.8
227.09422	1.2
231.07689	13.8
232.08502	21.7
233.09259	4.6
241.09775	1.3
242.08243	2.0
242.10573	1.9
243.07739	3.2
244.08632	6.6
245.09335	2.1
246.07751	1.2
255.02989	3.1
259.10803	1.1
262.09592	2.3
268.08398	1.5
271.02487	3.8
284.03247	1.5
285.08875	2.5
286.09644	6.0
300.02859	6.5
301.03375	2.0
303.09885	1.9
304.10629	2.1
315.13461	9.5
340.12964	4.4
393.11932	1.2
398.17288	11.8
410.16931	3.2
428.18137	1.9
452.18097	4.1
453.16403	2.5
467.17279	1.7
470.19336	47.2
561.23627	4.4
591.24847	1.5
593.27997	1.3
609.15100	2.8
615.24347	4.8
633.25696	100.0
634.25879	1.8
679.68140	1.4
729.31952	1.5
1042.80579	1.3
1081.27954	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	1085.6175
Annotation	Unknow
Peak:m/z	Relative Intensity
90.36185	0.4
92.71095	0.4
106.04142	0.6
107.04897	3.7
119.04888	6.1
121.02834	1.0
133.06444	1.4
139.42189	0.4
144.92566	0.4
147.08012	0.9
161.09712	0.6
173.83398	0.5
175.11116	2.0
189.12776	0.7
194.97464	0.6
206.97438	0.8
215.14372	0.5
217.16043	0.6
229.15984	1.1
231.17526	0.7
295.20740	1.4
297.22260	10.3
299.23825	17.3
343.22971	0.6
351.14148	1.3
353.15723	1.4
371.16635	0.7
389.17682	0.7
397.14944	0.5
415.15805	5.3
461.21216	1.0
473.21445	0.9
517.20258	0.7
569.30750	0.7
585.34125	0.8
649.36694	0.6
651.38879	3.2
652.40448	0.6
653.40283	18.8
671.41321	10.1
685.39203	1.0
697.39325	12.6
740.38794	1.6
741.38342	100.0
742.38385	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.6178
Annotation	Unknow
Peak:m/z	Relative Intensity
77.11988	0.2
78.93697	0.5
78.95759	48.3
78.97549	0.8
81.03312	0.8
96.96817	5.1
105.84953	0.4
108.08031	0.3
117.03323	1.9
119.04894	2.3
120.64643	0.2
121.02831	0.8
145.02840	4.9
150.09155	0.6
150.97882	2.0
152.93910	0.8
152.99472	100.0
153.04398	1.2
163.03900	0.9
171.00542	3.9
173.39442	0.3
175.50938	0.2
186.31271	0.2
193.16391	0.2
244.66603	0.2
279.23318	1.2
279.25861	0.2
306.73227	0.2
329.74149	0.2
397.13565	0.4
415.24924	9.8
417.28043	0.2
425.07089	0.2
432.31204	1.2
433.23578	42.1
434.23767	0.4
465.63538	0.2
475.23566	0.2
500.99390	0.2
573.87134	0.2
602.45526	0.2
929.28375	0.4
995.55786	0.3
995.73810	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0281
Annotation	Catechol
Peak:m/z	Relative Intensity
58.92678	0.1
61.24635	0.1
65.00202	0.3
65.03818	0.6
66.03347	0.8
67.02863	0.4
81.03312	2.5
91.01746	1.7
103.10794	0.1
108.02030	9.2
108.99860	1.3
109.02811	100.0
109.06153	0.8
110.02358	0.3
110.03124	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	1093.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
87.69962	0.3
97.02784	0.5
107.01250	0.4
113.02325	0.7
115.52509	0.4
115.71350	0.5
115.72187	0.4
125.02338	1.4
151.00244	1.2
168.83972	0.3
176.46977	0.3
199.03966	0.5
202.00386	0.3
202.02599	0.6
203.03471	0.5
208.21077	0.3
209.38077	0.3
213.02003	0.3
214.02753	0.5
215.03458	0.7
229.01460	0.4
230.02162	2.9
231.02919	0.7
241.01346	2.5
242.02205	6.5
243.02921	2.8
255.03017	0.7
257.00964	0.7
257.04379	0.5
258.01706	7.0
259.02475	3.3
261.00418	0.3
269.00900	1.1
270.01691	6.3
271.02496	5.9
272.03125	1.6
273.04099	5.1
274.01184	0.9
274.04807	0.7
282.85385	0.3
285.00555	0.3
285.04141	1.5
286.01190	6.1
287.02026	7.0
287.05527	1.2
289.07074	0.4
297.00473	0.4
298.01190	1.5
299.01868	1.6
300.02698	2.5
301.03476	8.0
302.04153	1.3
314.00818	0.9
315.01498	18.5
315.04880	0.9
316.02322	0.4
316.05768	1.3
317.06729	1.2
329.03027	28.1
330.03821	17.4
343.04678	0.6
344.05377	23.4
345.06152	49.7
346.06750	0.4
383.13486	2.0
387.07471	0.5
439.12634	0.5
535.05573	0.3
571.01331	0.3
651.15814	1.1
652.15942	1.5
653.17279	100.0
654.17883	1.1
654.51447	0.3
710.59045	0.4
789.15741	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.5873
Annotation	Unknow
Peak:m/z	Relative Intensity
76.57556	0.2
80.31328	0.4
80.31739	0.3
85.25645	0.5
85.26091	0.3
85.42693	0.2
97.61631	0.3
100.29518	0.2
111.63049	0.3
121.02776	0.3
146.88147	0.2
151.00247	0.9
153.01779	0.3
169.01250	0.2
183.04451	0.4
183.66278	0.2
185.21082	0.2
211.03886	0.5
224.89192	0.2
227.03453	35.0
228.04161	0.4
229.04947	0.4
241.04961	0.3
255.02977	48.3
256.03760	4.5
284.03265	54.5
285.04041	9.7
327.05115	0.6
417.08298	100.0
418.08624	0.6
677.49890	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	1095.647
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02810	0.1
87.00744	0.1
89.02306	0.4
89.03821	0.1
91.73330	0.1
93.03313	0.4
97.02777	0.1
99.18069	0.1
101.02298	0.7
113.02316	0.3
117.00154	0.2
117.03322	17.1
118.04113	2.4
119.01632	0.3
119.04887	21.2
120.05193	0.1
120.99457	0.1
121.02814	5.6
123.04371	1.4
125.02344	0.3
133.02824	1.4
134.03575	0.5
143.03381	0.2
144.98488	0.4
145.02829	32.2
145.07835	0.3
147.04408	0.1
152.25497	0.1
161.04437	0.2
162.03120	2.4
163.03899	9.7
235.08224	0.3
248.21094	0.1
277.21732	2.3
287.07822	0.2
295.99332	0.1
305.08759	0.2
375.28979	0.2
396.19666	0.1
397.13522	3.4
415.14474	1.1
419.28052	100.0
420.28409	1.0
660.60773	0.1
675.35590	0.1
756.46191	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	1095.6475
Annotation	Unknow
Peak:m/z	Relative Intensity
79.40984	0.1
85.02805	0.4
87.00728	0.5
89.02290	1.5
91.73312	0.2
93.03326	0.3
97.02821	0.4
101.02304	1.6
108.02059	0.2
113.02316	0.6
117.03325	16.5
118.04138	2.1
119.04891	21.4
120.05205	0.2
121.02821	5.6
123.04390	1.7
125.02322	0.7
133.02837	1.5
134.03606	0.7
143.03412	0.3
145.02832	30.6
146.03148	0.3
161.04436	0.2
162.03127	2.1
163.03902	9.7
179.05583	0.3
198.60487	0.1
235.08224	0.7
248.21147	0.3
253.09177	0.2
277.21741	5.4
287.07794	0.2
305.08826	0.5
305.48380	0.2
332.27060	0.2
397.13513	8.5
415.14545	2.8
417.26727	0.8
418.26929	0.7
419.28064	100.0
420.28384	1.2
675.36237	0.5
745.82520	0.2
756.64130	0.2
854.87225	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
78.55101	1.8
78.95761	100.0
81.79769	1.9
91.72680	2.4
95.29161	1.8
96.95879	2.0
96.96822	20.5
113.02298	3.3
121.01455	1.8
130.78262	1.8
133.92500	1.8
135.19676	1.7
172.72951	2.5
223.00131	9.8
376.22598	5.1
403.06506	17.2
597.66791	2.4
718.34528	6.0
760.35596	5.6
800.18567	3.5
1097.45337	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	1099.7466
Annotation	Unknow
Peak:m/z	Relative Intensity
81.05367	0.9
106.04102	1.3
107.04846	2.2
119.04893	11.5
121.02797	3.9
133.06476	4.3
223.70055	1.1
231.17607	1.2
275.54843	1.1
323.23773	3.6
325.25385	54.9
369.24377	100.0
370.24518	2.2
382.20493	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
76.21799	0.2
79.96989	0.2
82.24041	0.2
83.01225	0.7
85.67453	0.3
90.65652	0.3
90.66129	0.3
90.82404	0.2
93.03320	0.2
107.01241	2.6
108.02030	1.0
109.02818	1.7
118.99622	0.2
119.01263	0.4
119.24390	0.2
121.02819	2.4
128.71634	0.2
135.00739	0.6
135.97113	0.2
139.03804	0.3
141.22588	0.2
147.00870	0.2
148.01556	0.8
149.02351	0.4
151.00253	11.2
152.00996	0.2
153.01749	0.2
159.04364	0.3
163.00272	3.2
163.03812	0.2
164.01039	0.7
169.01329	0.8
171.04347	0.3
175.03862	0.3
178.99770	6.2
183.04468	0.6
187.03929	0.6
190.99817	0.4
192.00630	0.4
193.01248	0.3
198.03247	0.2
199.03935	0.8
201.05481	0.8
202.02692	0.3
203.03435	0.6
211.03900	1.4
212.04735	0.2
215.03387	0.9
216.04242	0.4
217.04681	0.2
226.02675	0.7
227.03458	2.7
228.04211	0.3
229.05011	1.0
230.02173	0.5
231.02867	0.3
239.03543	0.5
242.02145	0.3
243.02979	7.1
244.03651	0.3
245.04535	2.5
254.02129	1.4
255.02975	21.5
256.03589	0.5
257.04547	0.4
258.01663	0.5
259.02463	0.8
266.02222	0.4
270.01807	0.5
271.02493	45.0
272.03122	1.4
273.04099	1.5
283.02502	2.0
284.03253	0.5
286.01230	1.9
287.01962	1.9
299.01971	1.4
300.02753	71.6
300.90326	0.5
301.03534	47.9
302.04044	0.4
314.00668	0.6
315.01453	5.6
329.03006	4.1
330.03824	12.1
345.06180	5.2
446.08142	0.4
447.09335	100.0
448.09546	0.9
653.17328	10.7
780.61798	0.2
789.40472	0.2
938.33978	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	1103.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01248	0.4
86.99665	0.3
87.91566	0.3
91.72768	0.7
94.76866	0.6
107.01240	1.8
108.94158	0.5
108.94872	0.4
109.02808	0.8
122.94543	0.3
123.00614	0.3
124.01553	1.4
125.02294	1.0
126.55476	0.3
135.00764	0.4
137.02341	2.3
138.52063	0.3
151.00262	8.8
151.01482	0.5
152.01042	1.1
161.02368	0.3
163.00316	2.4
164.01004	1.7
169.01312	0.9
175.03830	0.5
178.99786	7.3
186.03278	0.4
187.03928	0.8
188.04738	0.5
189.01768	0.4
190.99832	0.4
199.03918	0.9
201.01823	0.3
203.03436	2.9
214.02655	6.0
215.03448	2.3
217.01393	0.3
227.03500	1.0
231.02902	2.1
241.01355	0.5
242.02177	5.8
243.02919	5.5
244.03659	0.5
258.01599	0.3
259.02472	11.6
259.05197	0.6
260.03278	0.5
261.03995	0.5
269.00931	0.6
270.01706	7.9
271.02487	44.8
272.02982	0.6
273.04086	0.3
285.03833	0.5
286.01111	0.9
287.01981	32.9
288.02744	1.7
289.03397	0.4
298.01135	0.4
299.01996	0.7
301.03519	1.0
315.01489	22.4
316.02243	96.2
317.02991	15.0
329.02994	0.4
330.03830	27.2
331.00604	0.7
331.04587	12.1
347.99118	0.4
463.08853	100.0
464.09192	0.9
479.87231	0.3
639.15723	61.7
640.15942	1.6
641.15869	0.4
656.18542	0.4
708.96088	0.3
1016.09021	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1104.7097
Annotation	Unknow
Peak:m/z	Relative Intensity
92.01453	7.6
111.01852	9.6
113.74000	7.3
121.29708	7.6
129.10255	11.1
130.61797	8.3
137.99345	8.4
172.10864	11.6
174.53618	7.9
186.12392	12.7
211.63545	9.2
234.16975	9.4
267.18347	10.3
278.56995	8.6
497.29996	9.7
553.21759	9.4
583.80658	10.0
770.45740	12.3
886.15155	9.6
1024.70947	100.0
1068.73071	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	1105.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
79.65390	7.6
85.02789	8.0
87.00735	11.6
109.02787	9.2
111.00728	32.6
115.00257	12.2
125.02324	97.6
127.05917	6.6
137.02330	22.4
143.59093	6.9
151.03838	13.5
165.01851	10.9
167.03409	10.4
169.20689	6.3
175.03940	23.3
177.01836	100.0
181.10382	6.4
191.01994	19.3
192.68001	6.9
204.99910	44.3
206.00180	11.7
217.05020	13.0
219.03029	12.8
231.02859	7.7
233.04492	7.8
243.02943	49.2
245.65129	7.5
255.02988	19.4
261.04074	23.9
264.80719	9.2
283.02499	13.6
297.04099	8.7
303.05054	15.4
305.06754	37.7
423.07156	32.2
429.07825	9.2
439.06586	9.5
441.07956	12.3
541.07837	23.7
559.08728	16.4
607.11481	10.0
609.12555	23.6
727.13080	52.9
745.14081	24.4
787.14960	9.3
913.17902	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	1105.7195
Annotation	Unknow
Peak:m/z	Relative Intensity
77.17474	0.2
80.02399	0.6
80.02901	0.3
86.40231	0.2
89.30573	0.2
92.02557	0.5
93.03315	0.2
95.01251	0.2
99.41880	0.2
106.04102	1.7
107.04886	2.4
108.02031	0.5
119.04890	12.3
120.05676	0.2
121.02822	5.1
133.06468	3.7
137.02318	0.6
147.79898	0.2
161.09604	1.1
175.11215	1.2
189.12828	0.5
201.04379	0.2
203.14317	0.5
217.15973	0.4
229.16226	0.2
231.17645	0.4
299.23810	93.8
300.24197	0.8
343.22794	100.0
344.23080	0.6
526.91669	0.2
539.42633	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	1109.7508
Annotation	Unknow
Peak:m/z	Relative Intensity
77.36439	0.7
83.94292	0.7
88.36713	0.8
92.02561	1.0
106.04131	2.1
107.04935	0.9
119.04932	1.5
121.02809	6.0
143.15503	0.7
275.23810	100.0
294.63708	0.8
319.22787	79.4
416.99039	0.9
648.63226	0.9
684.89526	1.0
755.61908	0.9
922.05310	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42814	0.5
52.19926	0.4
52.89429	0.5
59.02119	0.5
59.47025	0.5
59.79123	0.4
67.01749	16.9
78.94006	1.5
78.95760	100.0
78.97729	1.3
79.95603	1.1
81.03323	0.6
81.04438	9.4
83.01231	1.3
83.04877	1.3
85.02814	0.7
110.97428	3.7
110.98379	2.3
111.00742	38.4
111.04412	1.2
111.05495	1.7
118.06316	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70699	1.0
55.01736	2.8
66.59784	1.1
66.67187	1.0
67.01747	40.5
67.30322	1.0
71.88862	1.2
78.58136	1.2
78.94021	1.1
78.95760	60.5
81.03314	1.7
83.01251	7.6
83.04874	9.5
84.55488	1.1
85.02771	1.7
93.03317	4.4
109.02828	1.4
109.61259	1.3
111.00740	100.0
111.04369	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	1111.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
79.33230	0.4
82.01449	0.4
82.02837	2.0
96.04446	0.4
108.04419	0.8
110.06039	0.3
112.03927	0.8
120.04438	1.4
122.02381	0.3
122.05972	0.7
124.03858	0.3
129.05473	0.6
134.05959	0.5
135.03178	0.6
135.66887	0.5
136.03923	0.6
136.07561	2.4
138.05513	0.6
139.02646	0.5
147.03137	1.0
148.03917	12.5
149.04697	5.0
150.05489	15.5
154.05016	1.8
160.03947	1.5
161.04710	4.3
161.07083	0.4
162.05455	1.8
163.02647	1.7
164.03444	4.3
166.08649	2.1
173.03465	7.4
173.04779	0.5
173.07306	0.5
174.04242	14.9
174.05533	1.4
175.05037	5.7
175.06348	3.0
176.05806	0.9
177.06583	0.6
186.05559	1.4
187.06331	1.9
188.07159	1.0
189.06599	10.1
190.04971	0.7
190.07375	18.2
191.05835	1.0
191.08247	1.8
192.02931	0.8
199.07541	0.4
200.07030	1.8
201.07782	2.8
202.07097	3.1
202.08769	1.7
203.05997	0.6
203.08205	1.2
204.06511	0.4
213.06769	0.5
213.10300	1.0
214.05249	0.5
214.07147	0.4
214.10988	2.4
215.08191	3.5
216.06654	1.1
217.07423	1.8
217.09816	3.0
224.07112	0.7
228.06659	1.6
230.10643	0.4
231.07713	14.9
232.08490	22.9
233.09282	4.6
235.10922	0.4
241.09833	1.4
242.08243	3.1
242.10634	0.8
243.07425	3.0
243.11418	0.8
244.08600	6.5
245.06921	1.0
245.09346	4.0
246.07744	1.4
247.08577	0.5
250.26498	0.3
255.02989	0.5
259.10913	1.2
261.08856	1.5
262.09631	2.3
263.10382	0.7
267.07825	1.3
268.08548	1.2
269.09369	0.6
271.02548	0.6
271.08481	0.7
284.03290	0.6
285.08832	3.2
286.07153	0.4
286.09647	7.1
287.07996	1.1
287.10715	0.9
289.09625	1.3
300.02695	0.7
303.09851	1.6
304.10483	1.8
305.11395	0.6
315.13498	8.6
318.12021	0.4
318.33871	0.4
337.10703	1.1
340.13031	4.0
356.16223	1.1
368.16251	0.6
369.14407	1.0
377.13797	0.4
397.07492	0.4
398.17249	11.5
406.17844	0.6
409.17761	1.1
410.17245	3.6
411.15555	0.6
428.18289	2.9
434.17291	1.5
449.15921	1.0
452.18344	6.2
453.16840	3.0
467.17038	2.4
470.19333	49.8
471.19531	0.8
477.10324	0.5
503.19580	0.8
561.23462	3.0
565.30927	0.4
591.24695	0.8
593.15601	0.6
615.24561	5.4
633.25702	100.0
634.25800	1.9
704.74103	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.7699
Annotation	Unknow
Peak:m/z	Relative Intensity
87.55964	1.7
99.80796	0.7
106.04126	1.9
119.04886	5.7
121.02821	5.1
130.94713	0.7
133.06470	1.4
142.44962	0.6
175.11183	1.0
189.12772	1.3
194.05188	0.7
195.04457	0.8
203.14317	1.1
218.21935	0.7
223.83533	0.7
329.28513	100.0
330.28973	1.2
373.27490	94.3
374.27768	0.8
1116.64990	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
78.61440	0.5
81.28921	0.3
82.02836	2.5
89.18125	0.7
94.69553	0.4
96.04404	0.5
108.04418	0.6
109.28622	0.3
110.05948	0.4
112.03905	0.5
120.04420	1.1
122.06054	0.4
124.03876	0.5
129.05453	0.7
131.59328	0.8
131.60329	0.8
135.03157	0.5
136.03819	0.4
136.07571	1.4
138.05507	0.8
139.02640	0.5
145.76059	0.4
147.03162	1.2
148.03925	13.2
149.04710	5.8
150.05499	14.6
150.09099	2.5
152.03415	0.4
154.05005	1.5
158.06047	0.4
160.03973	1.3
161.04713	4.9
162.05504	1.5
163.02690	1.6
164.03436	4.7
164.07123	0.6
173.03465	5.7
173.04868	0.5
174.04251	18.3
174.05472	0.9
175.05040	4.8
175.06351	3.6
176.05782	0.8
177.06645	0.7
183.46906	0.4
186.05565	1.0
187.06271	1.8
188.07140	1.4
188.19153	0.4
189.06610	7.9
190.04919	0.8
190.07393	20.5
191.05714	0.6
191.08203	1.7
199.07639	0.6
200.07129	1.7
201.07887	3.0
202.03784	0.5
202.07124	2.6
202.08746	1.7
203.05928	0.9
203.08253	1.3
204.10342	0.6
213.04588	0.4
213.06609	0.8
213.10240	0.6
214.11098	2.1
215.08279	1.3
216.06757	0.5
217.07452	2.2
217.09851	1.3
218.10556	0.7
219.11356	0.5
224.07227	0.9
226.07204	0.5
227.09554	0.9
228.06633	1.9
229.07553	0.5
230.10608	0.7
231.07730	12.1
232.08501	31.1
233.06987	0.7
233.09232	4.3
241.09843	1.0
242.08180	2.1
242.10646	1.8
243.07703	2.3
243.09015	1.2
243.11357	0.7
244.08218	8.1
245.06943	1.1
245.09322	2.6
246.07806	1.2
247.08595	0.7
259.10959	1.3
261.08795	1.0
262.09607	2.6
263.10345	0.7
267.07861	1.0
268.08630	1.4
269.09216	0.6
271.08554	0.8
285.08731	2.8
286.06894	0.4
286.09625	7.4
287.07855	0.5
287.10562	1.1
289.09641	1.1
293.09326	0.4
299.13995	9.2
303.09973	1.1
304.10687	1.7
324.13571	4.6
325.12024	1.2
337.10672	1.3
340.16623	1.5
353.15204	1.2
382.17731	15.8
393.18301	1.4
394.17734	3.6
395.15952	0.9
412.18881	2.6
418.17706	1.0
436.18790	6.2
437.17130	2.3
449.16208	1.1
454.19879	48.1
455.20230	0.9
467.16998	2.7
545.23907	2.6
557.24023	0.5
575.25104	0.8
599.25183	4.9
617.26239	100.0
618.26361	2.4
629.28375	0.4
791.18329	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	7.0
57.03316	41.3
62.05244	1.3
67.01744	4.6
67.13540	1.4
68.99403	2.5
69.03310	17.2
70.66308	1.5
71.01226	6.2
81.85445	1.3
83.01233	5.5
84.02015	15.0
85.02805	100.0
86.02344	1.9
95.01257	2.8
101.87504	1.6
113.02304	84.6
113.03446	6.3
113.05945	70.4
113.06754	2.9
114.02650	1.7
114.05470	70.2
114.06250	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	1133.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01743	0.9
81.03316	11.4
83.01241	7.8
83.04873	5.7
84.02035	0.8
85.00806	1.3
85.02805	89.3
85.05034	1.0
85.76369	0.6
86.98630	1.5
87.00732	97.4
89.02311	1.7
93.03315	15.3
94.98854	1.1
95.01244	56.3
95.04856	0.7
97.02809	38.8
97.43310	0.7
99.00728	5.3
99.04385	10.5
101.02298	5.0
103.03885	8.0
107.04890	1.7
108.02055	3.8
109.02815	26.0
111.00747	18.7
111.04372	4.5
113.02306	44.5
114.03102	1.1
115.00238	14.5
115.03876	3.2
119.03427	0.7
121.02799	2.9
123.00777	1.2
123.04385	2.8
125.02306	6.3
127.03882	40.3
129.01804	3.8
135.04395	2.4
137.02319	9.9
139.00247	29.0
139.01321	1.6
139.03896	2.6
140.11572	0.7
141.05466	2.6
143.03368	0.8
145.04944	12.7
149.02335	2.2
151.03880	2.6
153.01833	2.8
155.03394	10.9
157.01324	14.1
161.27933	0.8
167.03400	1.7
169.04988	4.0
171.02878	3.6
173.04485	6.4
175.02390	37.2
179.03427	1.7
181.01370	2.7
181.05025	1.7
191.05576	1.1
197.04387	0.8
199.02415	45.2
215.05609	1.8
217.03481	20.5
241.03615	1.4
241.07178	1.0
253.03609	1.0
257.06744	1.6
259.04547	1.5
259.08441	0.8
260.81421	0.8
277.05710	0.9
285.06137	2.8
301.05728	2.3
303.07224	15.1
321.08282	8.0
327.07236	1.3
345.08295	13.8
363.09244	1.4
369.87405	0.7
387.09369	29.3
404.77057	0.8
405.10419	21.1
438.84311	0.7
465.12527	2.3
521.11499	0.9
543.13141	0.9
551.16364	2.4
561.15002	1.1
563.12598	2.9
569.17291	3.1
581.13898	1.1
582.20483	0.9
587.12579	1.5
603.15912	1.5
623.14783	12.2
647.15643	2.1
663.17548	1.0
667.17511	2.1
674.01270	0.8
685.18365	3.7
689.19629	1.1
698.82587	0.8
707.17810	3.5
709.18420	37.5
727.19495	100.0
733.18256	2.9
751.19086	2.2
793.20526	5.9
811.21545	5.8
823.21173	0.9
871.24408	1.8
913.25323	0.8
927.21918	4.6
957.27124	1.5
969.23987	2.7
975.28046	1.9
987.24744	1.6
999.28967	1.2
1029.25879	16.5
1073.29297	3.6
1091.30164	4.5
1115.29431	54.0
1122.01514	0.8
1128.64075	0.8
1133.30530	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	1133.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03310	10.9
81.53896	0.9
83.01237	6.7
83.04882	7.0
84.02029	1.6
85.02805	80.0
85.04913	1.1
85.78502	0.8
87.00731	85.6
89.02282	0.9
93.03311	14.8
95.01243	43.0
95.04829	0.8
97.02808	31.7
98.03608	0.8
99.00729	4.6
99.04376	6.9
101.02267	4.0
103.03866	8.3
108.02035	3.0
109.02814	20.3
111.00748	14.6
111.04378	2.9
112.01508	1.2
113.02309	39.6
114.03075	1.1
115.00240	12.6
115.03867	3.2
121.02819	2.9
123.04403	2.3
125.02295	4.5
127.03879	38.2
129.01805	2.6
137.02322	9.1
139.00244	26.0
139.03874	1.8
141.05458	1.4
143.03337	1.2
145.04964	9.6
149.02298	2.5
151.03923	2.0
153.01852	3.6
155.03372	9.2
157.01302	10.1
167.03334	1.2
169.04948	4.0
171.02925	3.7
173.04504	5.1
175.02391	29.2
179.03419	1.4
181.01337	2.4
196.35223	0.9
199.02420	38.7
199.04300	1.9
215.05577	0.9
217.03479	18.6
239.83099	0.9
241.03500	1.9
259.04724	1.4
259.08191	1.1
277.05853	1.5
285.06326	1.6
287.01489	1.0
301.05621	2.1
303.07196	12.7
321.08328	7.5
345.08249	10.1
387.09372	23.8
405.10437	14.2
465.12637	1.8
543.13519	1.6
551.15704	1.4
563.12604	3.4
569.17346	1.5
581.13654	2.0
623.14630	8.8
647.14215	1.6
667.16815	1.2
685.17926	2.8
689.19421	1.6
707.16895	2.1
709.18372	34.5
727.19495	100.0
733.18420	2.3
751.19482	2.0
769.20306	1.8
793.20593	6.6
811.21637	5.5
927.21735	4.1
957.27258	2.0
969.24158	3.3
975.28131	1.4
987.25342	2.0
1029.25903	15.6
1073.28528	3.9
1091.30420	1.3
1115.03638	1.3
1115.29382	56.6
1133.30566	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.6491
Annotation	Unknow
Peak:m/z	Relative Intensity
95.48972	0.4
97.78377	0.5
98.05816	0.6
100.46119	0.4
103.91875	1.4
106.57193	0.4
107.04903	2.7
109.30218	0.4
119.04888	1.5
121.02824	0.6
121.24490	0.4
133.06462	0.7
138.58641	0.6
138.59549	0.5
147.08031	0.8
164.48286	0.5
175.11168	1.5
187.11140	0.7
187.31317	0.4
189.12756	2.0
191.14301	0.6
196.99146	0.5
201.12735	1.4
203.14377	2.4
206.97327	0.5
219.13837	1.0
243.04803	0.9
255.04849	0.5
257.06293	3.2
261.02188	0.4
269.02841	0.5
275.07440	1.4
287.07437	0.5
289.05472	0.8
293.19083	0.6
295.20685	1.5
297.05966	0.5
297.22235	8.4
299.07373	0.9
299.23788	2.1
300.24344	0.5
301.05341	3.3
301.08887	1.1
313.08926	2.6
315.23279	1.8
317.24777	1.4
333.04294	0.5
339.10675	0.6
345.07950	0.8
361.23819	4.0
362.24298	1.0
365.12125	5.1
367.13666	15.3
369.15204	34.6
370.15671	0.6
371.16815	38.5
372.17081	0.6
383.13135	1.7
385.14703	2.3
388.18369	0.7
389.17859	18.3
399.12769	2.0
401.14209	3.9
403.15881	4.8
413.15961	0.6
414.16489	0.7
415.15805	100.0
416.16006	1.5
447.14734	14.9
776.39819	1.5
777.40405	38.2
1013.97235	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0546
Annotation	L-Proline
Peak:m/z	Relative Intensity
52.13949	0.3
64.91212	0.2
66.03339	2.2
71.01239	4.9
75.57790	0.3
76.72153	0.2
78.44144	0.3
85.02797	0.4
86.02337	1.3
86.03116	0.6
97.93039	0.3
112.03894	0.5
114.01984	1.3
114.05470	100.0
114.08464	1.3
115.05802	1.8
131.51567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79818	0.3
54.63967	0.2
56.56158	0.2
58.03652	0.3
58.26807	0.2
59.01239	0.5
59.34947	0.2
61.69283	0.2
66.03342	2.3
71.01235	3.0
77.36224	0.2
78.37685	0.3
85.02810	0.4
86.02335	1.1
86.03132	0.5
87.00726	1.0
90.21651	0.3
90.22276	0.3
91.34940	0.3
112.03931	0.7
114.02317	1.1
114.05470	100.0
114.09062	0.7
115.00169	0.3
115.03872	0.3
115.05815	1.2
125.34882	0.3
132.39490	0.3
134.13969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.1
60.51484	0.9
70.99622	1.4
71.01240	100.0
72.01586	1.0
74.02327	1.0
87.00761	1.4
93.28236	0.9
97.92999	3.0
98.68473	0.9
113.46314	1.1
114.05487	3.4
114.93299	6.3
115.00244	10.6
115.03906	1.5
115.05799	20.2
116.07038	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	115.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86538	4.8
56.40035	4.8
59.01239	29.7
61.36842	4.8
69.03329	5.2
69.92697	5.4
71.01231	49.0
71.04875	32.5
73.02815	5.9
73.03919	5.7
74.02326	16.5
75.27379	5.2
76.43612	5.1
87.00746	7.5
87.04366	9.4
97.93056	8.7
100.01531	6.7
114.93295	21.8
115.00213	11.7
115.03875	84.3
115.05788	61.2
116.07038	100.0
119.23028	6.5
123.88499	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	1157.7305
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02445	1.2
80.74395	0.6
105.96352	0.7
106.04100	2.4
107.04878	2.5
107.35525	1.0
108.02023	1.2
115.94266	0.8
115.94978	1.0
117.02559	1.0
117.03326	12.1
119.04897	30.5
121.02836	7.5
133.06494	2.9
133.97972	0.8
145.02840	43.9
155.53799	0.7
162.03087	0.9
163.03920	11.1
181.95122	0.9
283.57620	0.8
299.23816	100.0
343.22806	82.4
343.27090	1.9
494.24500	0.9
649.44678	6.2
667.45923	24.6
813.49597	82.1
1073.29248	0.8
1139.36450	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1163.6635
Annotation	Unknow
Peak:m/z	Relative Intensity
85.47115	0.4
102.48349	0.4
106.04090	0.7
107.04887	3.6
115.70550	0.4
119.04892	6.6
121.02805	1.5
133.06465	2.6
147.08023	0.5
161.09581	0.9
175.11206	2.6
189.12802	0.8
203.14388	0.6
206.97501	0.6
215.14333	0.6
217.15901	1.0
229.15956	1.4
231.17540	1.0
235.66611	0.5
243.17490	0.6
253.15849	0.5
255.17485	1.3
257.19043	0.8
269.19077	0.5
299.00290	0.4
307.04160	0.4
321.22253	1.4
323.23831	6.7
325.25391	11.7
369.24081	0.4
375.14114	0.5
377.15677	1.3
379.17276	1.1
397.17947	0.4
423.16183	0.5
441.17279	3.4
465.18106	0.4
487.22467	0.6
499.23273	0.7
501.24527	0.8
544.22418	0.6
581.31122	0.5
595.32617	0.7
597.34320	0.5
609.34216	0.8
611.35278	0.8
635.34790	0.8
636.36578	0.5
703.41278	2.2
705.43616	7.5
723.44281	3.4
748.97516	0.5
749.42468	10.3
792.41162	5.1
793.41425	100.0
794.41351	1.9
1176.44934	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1167.6816
Annotation	Unknow
Peak:m/z	Relative Intensity
104.37192	0.6
107.04873	2.6
119.04871	2.0
121.02811	0.9
133.05453	0.6
133.06488	0.8
151.09703	0.8
161.09525	0.8
197.43486	0.7
287.23795	1.7
294.80106	0.7
313.25354	5.6
315.26938	12.5
317.24866	9.9
323.23816	1.1
325.25620	0.9
343.26331	2.1
345.27988	1.2
361.23810	2.3
362.03864	0.7
365.15875	1.0
367.13611	4.5
367.17468	2.3
369.15234	6.8
369.19193	2.1
371.16861	12.7
385.14764	0.8
389.17926	12.8
389.26544	3.1
393.15308	1.9
395.16895	4.6
397.18332	5.9
399.19904	9.5
403.15637	0.8
413.17776	1.2
415.15701	8.3
417.21057	10.0
427.15848	1.0
441.17752	1.6
442.19556	1.6
443.18924	100.0
444.19516	1.4
475.17773	4.3
595.80634	0.8
672.00970	0.8
689.42273	5.1
733.41461	1.2
777.40381	39.6
805.43329	12.2
850.88782	0.8
867.77448	0.9
917.66583	0.8
978.19623	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1169.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01247	2.5
93.03325	3.9
95.01241	1.3
107.04886	3.4
109.02783	6.8
110.21718	1.2
111.04391	1.5
112.44296	1.2
121.02846	4.4
123.00724	2.4
123.04376	1.3
125.02314	86.2
131.04910	2.4
133.02834	6.1
135.04414	1.7
137.02315	21.1
138.03110	1.7
139.03856	7.7
147.04385	2.4
149.02278	9.0
149.05966	1.8
151.03908	11.1
159.04437	1.4
161.02364	3.1
163.00320	2.8
163.03874	3.7
164.01045	4.2
165.01816	12.8
165.05466	10.4
166.02609	2.2
167.03404	10.5
173.05931	2.3
175.00317	1.5
175.03918	20.8
176.01114	2.2
177.01849	100.0
177.08072	1.3
179.03383	9.7
179.04700	1.3
187.03905	4.0
189.01866	2.8
191.03450	5.4
193.05025	4.9
199.03967	7.5
201.01839	2.4
203.03435	3.6
205.01323	2.5
211.03967	2.5
215.03415	3.7
217.01373	4.2
217.05005	11.7
219.02879	10.2
219.06653	4.9
221.04585	1.9
227.03458	1.8
228.04262	1.5
229.05089	4.5
231.02869	2.2
231.06627	1.4
241.05104	1.4
243.02959	44.5
245.04572	2.3
255.02975	16.7
255.05156	14.9
256.03491	2.8
256.05722	2.0
257.04626	4.3
259.02377	2.8
259.05997	2.2
261.04034	19.2
267.71072	1.4
269.04578	5.6
271.02637	1.5
273.04141	4.1
283.02551	8.5
285.03967	6.5
293.04715	3.2
295.02435	2.7
295.06058	1.4
297.03946	6.2
299.05484	2.1
301.03497	2.2
303.05011	16.3
305.03760	2.1
305.06805	29.4
315.05029	2.4
340.41495	1.4
347.05460	1.9
373.03415	2.1
374.04355	2.4
375.04974	1.7
379.04388	2.0
391.04675	4.7
405.05695	1.7
421.05786	2.6
423.07288	37.6
429.08224	6.8
439.06747	3.7
441.08139	13.3
469.07922	1.7
481.07806	3.8
483.09460	12.2
490.60864	1.4
541.07770	17.3
559.08801	15.4
565.09924	1.9
577.10016	6.5
591.12189	2.4
607.11298	9.4
609.12616	18.3
619.10815	4.4
651.14380	3.1
709.12396	2.8
727.13104	38.1
745.14136	20.6
756.58710	1.5
787.15308	8.7
913.18311	31.4
1057.96045	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	1169.708
Annotation	Unknow
Peak:m/z	Relative Intensity
93.08631	0.6
103.60275	0.7
107.04885	2.6
119.04906	5.6
121.02819	1.0
133.06482	1.4
160.50310	0.6
163.74593	0.6
170.59395	0.7
175.11194	1.4
194.97499	0.8
206.39355	0.6
206.97426	0.7
217.16103	0.7
229.15953	1.2
269.03250	0.6
279.38794	0.6
281.02682	1.0
287.65607	0.6
299.03769	0.8
301.74307	0.7
323.23911	1.4
325.01855	1.2
325.25424	8.6
327.26959	13.3
346.84366	0.8
352.30771	0.7
443.18826	2.0
501.24561	1.5
502.24927	0.9
519.25690	1.9
545.23755	1.5
546.24292	1.0
598.34918	0.8
707.45227	2.3
709.46710	11.0
727.47491	7.2
753.45392	9.5
796.43811	14.0
797.44452	100.0
798.44934	1.5
811.22736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.5
66.66317	0.2
69.76678	0.2
69.96683	0.2
73.01200	1.9
73.02804	100.0
73.04680	0.7
74.03133	1.1
83.04652	0.2
91.73393	0.2
99.00087	0.5
99.00737	9.9
116.92744	0.5
116.98447	0.3
117.01797	20.2
125.89769	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1173.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
82.56004	0.2
83.01220	0.3
85.02787	0.2
93.03309	0.4
95.01257	0.2
101.02256	0.2
101.20937	0.2
101.21482	0.2
105.54851	0.1
107.01228	1.5
108.02033	0.2
108.24087	0.2
108.24824	0.2
109.02802	0.2
117.03315	1.7
119.04891	1.1
120.89117	0.2
125.02341	0.1
132.02097	0.6
133.06439	0.2
135.00771	0.8
143.04904	0.3
145.02837	5.2
148.97905	0.2
151.00278	2.4
152.01086	0.3
153.01813	0.2
158.03633	0.3
159.04376	0.4
160.41878	0.2
161.05997	0.3
163.00273	0.7
163.03925	1.3
164.01051	0.5
167.04901	0.2
169.01375	0.7
169.06502	0.2
171.04427	0.3
178.99788	1.1
182.03607	0.3
183.04469	0.9
185.02350	0.4
185.05978	0.7
187.03937	0.8
189.05482	0.2
192.00682	0.3
196.05222	0.2
199.03912	0.6
200.04660	0.6
201.05461	0.2
205.04987	0.4
208.75587	0.2
209.00743	0.2
211.03912	1.7
212.04713	0.3
213.01956	0.3
213.05498	0.6
226.02776	0.2
227.03462	27.5
228.04155	0.5
229.05052	2.2
239.03493	1.0
240.04265	0.3
241.05005	0.4
255.02982	57.1
255.13495	0.5
256.03735	4.3
257.04541	2.2
267.02957	0.2
281.04544	0.6
283.02512	3.0
284.03271	80.2
285.04050	20.2
309.04141	0.8
327.05133	0.4
339.05063	0.3
389.19904	0.3
413.08838	2.8
431.09906	0.2
433.20801	0.3
495.31912	0.2
530.22217	0.2
575.14038	0.6
593.15192	22.6
739.18903	100.0
740.18939	1.0
741.18884	0.2
774.19769	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	1174.7497
Annotation	Unknow
Peak:m/z	Relative Intensity
88.05420	0.4
95.62421	0.4
107.04879	3.3
119.04886	5.2
120.23843	0.4
133.06454	1.1
145.06514	0.4
166.33376	0.4
194.97440	1.0
206.97482	1.0
213.99236	1.2
218.97408	1.8
235.00566	0.6
281.02609	2.8
287.03708	0.9
293.02728	0.6
295.04135	0.8
299.00577	0.4
299.03601	2.2
307.04269	0.8
312.00940	2.5
313.05359	0.5
321.05798	1.2
325.01697	4.8
325.25211	0.6
327.26953	5.2
329.28540	3.2
335.07324	0.6
339.03119	1.6
343.99930	2.8
351.10605	0.8
353.04712	0.9
358.01297	0.7
365.12262	0.6
367.06342	1.0
381.07889	1.6
393.15491	0.8
395.09460	1.6
409.10928	0.9
411.16190	0.7
423.12775	0.9
437.14304	1.5
445.20245	0.5
461.21536	0.9
463.15817	0.9
465.21063	0.7
477.17398	1.1
479.22272	0.6
491.19043	3.7
501.24442	0.5
503.26202	4.1
505.20343	2.8
517.27673	0.7
521.27112	4.4
535.28711	1.2
545.30164	0.7
547.25104	7.8
549.30176	1.0
561.26880	2.2
563.32623	0.9
575.28143	2.1
589.30127	2.1
591.24402	1.4
603.31464	0.9
631.34393	0.7
659.36902	0.5
712.50165	1.1
730.51385	1.2
756.49792	0.6
799.48145	1.7
800.46960	100.0
801.47327	5.3
1077.65576	0.6
1089.24377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1175.7573
Annotation	Unknow
Peak:m/z	Relative Intensity
81.33826	0.1
86.62049	0.1
91.13530	0.1
93.23181	0.1
103.91788	0.2
106.03978	0.2
106.86603	0.1
107.04762	3.3
119.04894	3.5
121.02795	0.9
121.83089	0.1
122.55331	0.2
133.06306	0.8
145.06332	0.2
147.07932	0.3
161.09444	0.6
175.11011	0.6
178.60072	0.2
178.97714	0.5
188.89775	0.2
189.12669	0.3
190.97862	0.2
194.97266	0.6
196.98843	0.3
203.14240	0.3
206.97467	0.8
210.06970	0.2
212.92229	0.2
213.99049	0.3
217.15805	0.5
218.97339	0.4
220.98965	0.2
229.15865	0.3
231.17317	0.7
234.96709	0.1
245.19063	0.2
267.44128	0.2
269.02509	0.2
271.66495	0.2
281.02701	1.1
285.22101	0.2
287.03583	0.3
293.02356	0.2
295.04120	0.3
299.03751	0.8
299.08389	0.2
307.04248	0.4
309.05664	0.3
311.03619	0.2
312.00568	0.5
313.01126	0.2
321.05542	0.3
325.01880	0.9
325.25305	0.8
326.01752	0.3
327.26950	14.3
328.27078	0.6
329.28513	12.2
330.28656	0.4
339.03259	0.3
343.99722	0.4
351.10364	0.2
367.05884	0.2
379.13312	0.2
381.07620	0.3
381.18893	0.3
393.15167	0.2
397.23804	0.2
401.21436	1.5
409.10281	0.2
419.22604	1.0
423.12482	0.2
427.09497	0.2
431.16748	0.2
437.13931	0.2
445.14853	0.2
445.20526	3.6
461.21140	0.3
470.50015	0.2
475.22961	0.2
489.24283	0.4
491.18704	0.4
491.25977	1.2
492.19144	0.4
499.22354	0.2
503.26230	1.1
504.26389	0.6
505.20425	0.4
505.27338	0.4
506.20511	0.4
515.25928	0.3
517.27777	0.2
521.27161	1.3
522.27356	0.4
529.27600	0.4
532.29315	0.3
543.28882	0.3
546.31421	0.2
547.25305	1.0
548.25336	0.6
563.31641	0.3
576.29333	0.2
578.30719	0.3
589.28906	0.3
590.30389	0.3
592.24170	0.2
601.36133	0.2
615.38916	0.2
618.33435	0.2
619.13385	0.2
654.55249	0.2
709.46173	0.4
711.48071	2.0
712.49658	0.5
713.49744	22.3
714.50958	0.4
729.49243	0.5
731.50836	22.0
732.50885	0.6
745.48730	1.3
756.48322	0.3
757.48663	15.3
758.49225	0.3
799.48273	0.4
800.47089	8.3
801.47638	100.0
802.48151	2.1
902.78821	0.2
1071.52466	0.2
1175.75317	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	1183.7458
Annotation	Unknow
Peak:m/z	Relative Intensity
106.04146	1.8
107.04899	2.9
117.03329	15.1
117.04160	1.0
119.04888	35.9
121.02804	8.5
131.80630	1.1
131.81459	1.4
133.06482	4.8
133.56148	0.8
145.02834	49.2
161.09641	1.7
163.03912	11.6
175.11205	1.2
217.15945	1.6
229.16249	1.2
231.17615	1.6
284.66122	0.9
323.23853	3.6
325.25375	62.0
369.24374	100.0
434.43851	1.0
516.03333	0.9
537.66132	1.1
649.44910	5.4
667.45898	30.4
684.75549	1.1
813.49573	90.9
814.50446	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70329	0.5
55.01747	1.4
59.00971	0.9
59.01241	12.7
61.39434	0.5
64.93105	0.6
71.01234	17.6
72.50648	0.6
72.99152	1.4
73.02802	4.6
73.99459	0.5
75.00726	0.7
84.75144	0.8
87.00705	1.3
89.02287	2.3
93.03314	2.2
101.02298	2.6
103.43272	0.6
106.54622	0.7
119.01389	1.4
119.03379	10.8
119.04888	100.0
120.05212	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	119.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43904	0.2
59.00966	0.3
59.01242	3.3
65.03817	0.4
66.28796	0.2
71.01236	4.0
72.99158	0.3
73.02821	1.5
75.00741	0.3
77.57478	0.3
88.29913	0.3
89.02298	0.5
91.05399	0.7
93.03307	2.6
101.02309	0.5
101.92254	0.3
104.02574	0.2
115.19549	0.2
117.03358	0.3
118.92596	0.5
119.01113	0.9
119.03417	3.4
119.04888	100.0
119.08266	1.3
119.82671	0.2
120.05225	2.5
137.30891	0.3
137.93462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	7.9
65.60381	0.4
71.01241	5.0
73.02803	1.9
75.14835	0.4
77.00566	0.5
77.34455	0.5
78.84367	0.5
87.55780	0.5
93.03316	2.7
101.02312	1.2
101.92254	1.0
118.92537	1.7
119.01297	0.9
119.03402	4.9
119.04893	100.0
120.05258	2.0
129.85521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20006	0.1
59.54197	0.1
65.01286	0.1
65.03821	0.1
66.03349	0.1
66.65851	0.1
70.22910	0.1
89.71306	0.1
91.01754	0.7
92.02520	0.9
93.03316	2.2
94.02834	0.6
95.01232	0.5
108.02030	2.3
120.02036	0.4
120.99022	0.9
121.02817	100.0
121.06133	1.2
121.99319	0.1
122.02335	0.6
122.03160	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	123.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02245	0.8
53.00175	0.8
56.97899	5.4
57.97416	2.0
66.03326	1.2
66.59865	0.7
67.01744	3.5
67.66256	0.7
68.99679	4.4
69.03289	1.4
78.03346	21.8
78.91577	0.8
79.05382	14.2
80.04919	2.0
81.03316	12.4
94.02834	3.0
94.98724	1.7
95.01239	100.0
95.04889	1.1
96.01570	2.2
96.04408	1.9
108.02057	0.9
122.03618	1.3
122.97083	1.1
123.00745	81.7
123.04385	53.0
123.05347	0.9
124.02185	5.3
124.03931	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	129.018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	4.0
55.53104	0.7
57.03305	4.1
57.18096	0.8
59.01243	1.5
65.21351	0.8
67.01749	6.0
68.99667	3.6
71.01250	1.9
72.00758	0.9
72.99173	4.0
73.02813	2.1
83.01222	1.0
83.04897	1.3
85.02807	100.0
85.04946	1.2
85.50130	0.8
86.00006	1.0
86.03143	1.4
86.05961	1.1
87.00744	1.4
88.03885	3.3
91.72755	1.1
99.00725	1.5
101.02316	1.9
108.62070	1.0
111.00725	1.1
113.99455	25.6
128.03456	1.0
129.01805	12.4
129.03784	8.5
129.05545	1.4
130.08612	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49897	5.3
53.96037	4.3
54.14301	4.5
57.03300	16.2
59.01231	10.2
67.01756	7.9
68.22163	5.7
68.99670	8.1
71.01251	5.9
72.99158	8.2
73.02784	16.4
83.01231	7.7
83.04868	12.2
85.02808	79.7
85.06432	9.5
88.03905	9.8
91.73402	12.9
92.19582	6.0
101.02319	18.2
101.05953	6.3
111.00746	9.2
111.04361	9.0
113.99474	6.5
128.90016	12.4
129.01822	37.3
129.03825	49.1
129.05432	100.0
130.08595	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0861
Annotation	L-Leucine
Peak:m/z	Relative Intensity
77.89870	0.6
82.06506	0.5
84.08035	0.6
85.02824	0.7
85.77204	0.4
87.00751	0.6
88.03892	1.2
130.08615	100.0
131.08969	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64428	0.4
52.67732	0.4
57.03305	1.4
59.01233	2.7
68.97843	0.4
68.99424	0.9
69.03302	0.6
70.99608	1.0
71.01237	70.5
71.02717	0.9
72.01590	0.4
72.99162	16.1
73.02812	0.5
87.00751	4.2
87.04366	8.0
89.02293	9.3
99.96074	0.4
114.96858	1.2
115.00232	100.0
115.03262	1.0
116.00565	1.4
132.86679	2.7
133.01305	29.9
133.04065	0.6
133.04947	14.3
134.04576	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	133.013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22776	0.2
52.95976	0.3
59.01240	1.3
61.60206	0.2
70.99702	1.2
71.01241	61.2
71.02982	0.5
72.01583	0.9
72.97608	0.4
72.99167	14.6
76.09969	0.3
87.00738	1.5
89.02297	8.0
114.97068	1.4
115.00237	100.0
115.03842	0.8
116.00565	1.8
118.15990	0.3
132.97432	0.4
133.01308	28.0
134.01636	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46248	0.3
57.50617	0.3
59.01230	1.6
64.65207	0.4
70.99577	1.1
71.01241	62.2
71.02719	0.8
72.99166	13.0
83.35987	0.4
87.00734	1.3
87.47028	0.4
89.02297	7.7
91.73340	0.7
95.09409	0.4
111.48103	0.4
112.32458	0.3
114.96861	0.9
115.00238	100.0
116.00558	1.8
133.01306	29.8
133.05043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.013
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26622	0.2
56.94581	0.2
59.01245	1.6
70.99569	0.9
71.01240	63.9
71.02695	0.8
72.01577	0.9
72.99166	14.8
87.00712	1.2
87.04383	1.0
89.02299	8.2
114.96786	1.2
115.00235	100.0
115.03215	1.0
116.00573	1.3
117.42960	0.3
127.97724	0.2
132.86676	0.4
132.96999	0.3
133.01305	29.0
133.04993	2.1
147.46092	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45465	0.7
54.53975	0.7
57.03311	5.2
58.07341	0.8
59.01233	4.2
65.00187	7.8
65.68195	0.9
66.11066	0.8
68.65618	0.8
69.03306	2.8
70.99633	1.0
71.01239	80.2
72.01557	1.2
72.99169	16.9
73.02808	1.0
77.03828	1.7
80.08404	0.9
85.02792	1.6
87.00723	10.4
87.04370	27.0
89.02296	13.6
89.03827	4.2
95.04884	17.9
98.31572	0.9
105.03312	4.2
107.24108	0.8
115.00237	100.0
115.03889	1.3
116.00652	1.2
132.86676	2.8
133.01292	28.9
133.02824	56.3
133.04939	47.0
133.06482	1.8
134.04594	3.0
138.15305	0.9
144.62662	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36127	0.4
57.03315	0.6
59.01241	6.3
59.98387	0.4
65.68301	0.3
70.99779	1.5
71.01239	100.0
71.02925	1.4
72.01568	1.1
72.99165	15.5
73.00913	0.4
73.02781	0.6
74.57060	0.3
75.00722	1.7
80.41151	0.4
86.51983	0.4
87.00734	19.8
87.04375	7.0
89.02296	23.3
98.98827	0.4
107.03500	0.8
114.97253	1.2
115.00235	92.7
115.03726	1.5
116.00593	1.1
133.00256	0.9
133.01299	28.3
133.04938	54.4
134.04494	3.5
134.05452	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13799	0.5
59.01242	6.0
63.77265	0.6
64.86143	0.6
67.67869	0.7
70.99731	1.5
71.01237	100.0
71.02899	1.4
71.63541	0.6
72.01569	1.0
72.99165	5.1
73.02783	0.7
75.00712	0.7
75.61625	0.5
83.38105	0.6
85.02805	1.1
87.00730	32.5
87.04370	12.4
89.02295	31.3
89.04681	0.7
99.19920	0.6
114.97239	0.7
115.00235	35.9
116.00556	0.7
133.01283	11.9
133.04939	91.1
134.04544	1.7
134.05399	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16711	0.5
53.77817	0.4
54.67713	0.4
59.12247	0.4
61.41552	0.5
69.95690	0.4
73.01655	0.5
75.00719	1.6
87.00739	0.7
89.03823	0.9
91.05397	1.2
91.73257	1.0
93.03311	0.9
106.04082	1.5
107.04877	6.3
117.03314	1.1
131.57254	0.6
134.03613	11.5
134.04634	0.6
134.86418	2.2
135.00037	1.1
135.04393	100.0
136.04764	3.2
150.61537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88509	0.6
60.61022	0.6
63.69247	0.6
65.83429	0.6
74.53429	0.6
88.05751	0.7
89.03814	1.6
106.04102	1.7
107.04884	5.3
134.03610	12.1
135.00352	1.3
135.04395	100.0
136.04729	2.3
140.67305	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.61900	1.0
64.79977	0.9
65.04561	1.1
81.62370	0.9
91.73347	2.0
92.02528	5.3
92.04906	3.2
93.03317	100.0
94.03665	1.6
95.01241	5.1
97.12210	1.0
108.02040	51.6
108.04456	1.5
109.02865	3.3
136.01544	72.5
136.03839	2.3
136.04747	20.7
137.02356	20.0
142.07217	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0232
Annotation	p-Salicylic acid
Peak:m/z	Relative Intensity
62.39719	0.7
63.14265	0.7
65.03833	1.2
65.13746	0.7
67.01727	0.9
74.98954	2.2
81.03325	1.0
81.34322	0.7
89.33611	0.7
93.00775	1.4
93.03316	100.0
93.05603	1.5
94.03638	1.7
108.02030	4.1
108.60738	0.7
109.02818	32.1
110.89413	0.8
112.72061	0.7
136.01546	1.2
137.02324	50.5
138.02664	0.8
142.73381	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0232
Annotation	p-Salicylic acid
Peak:m/z	Relative Intensity
50.74050	0.2
65.03816	0.9
67.26884	0.3
81.03313	0.8
93.03314	100.0
93.05734	1.5
94.03642	1.5
102.11638	0.2
108.02029	1.4
109.02802	1.5
119.01314	0.4
129.32506	0.2
134.20171	0.2
136.01563	2.3
137.02322	44.6
138.02667	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0184
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
60.40997	0.6
63.77914	0.4
67.01737	1.1
69.42095	0.5
69.78966	0.5
73.28758	0.6
88.33469	0.5
92.02557	0.5
93.03316	1.2
94.02848	2.0
94.03643	5.6
95.01189	0.5
108.02029	45.8
109.02350	0.9
111.00732	1.0
137.97694	1.4
138.01846	100.0
139.02168	1.8
143.31917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06544	1.2
50.56985	1.3
51.85437	1.1
53.00152	1.6
55.01250	1.3
55.01733	3.6
57.03318	8.4
58.00464	2.9
58.02823	2.4
58.62325	1.4
59.01232	6.2
67.01758	2.4
68.99676	3.5
69.03306	8.7
70.44951	1.4
71.01240	32.7
71.04880	10.3
73.02802	5.9
81.03307	10.6
82.26322	1.4
83.01224	5.8
83.04866	1.4
84.02036	2.0
85.02801	23.0
87.00742	7.8
87.04366	21.2
96.99173	3.6
97.02807	9.5
99.04373	100.0
100.03904	2.6
101.02338	3.1
101.04232	3.6
102.05482	1.9
111.00716	3.7
112.98701	2.6
113.02299	12.4
115.03869	22.0
124.98672	8.7
125.02308	9.9
127.97395	3.8
128.01010	1.8
142.99750	13.0
143.03381	53.6
143.05199	3.2
144.10207	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	145.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53532	0.9
56.46750	0.9
57.03287	1.2
58.02837	11.3
58.44599	1.1
58.92293	1.0
59.01235	1.2
65.05389	0.9
67.02857	4.0
70.02822	2.1
71.01246	1.6
72.00773	6.9
72.04397	1.3
73.02825	1.7
74.01945	2.2
74.02328	20.9
74.37524	1.2
78.94295	1.0
82.02841	6.4
83.04897	1.3
84.04404	34.7
85.02814	2.7
86.02349	6.8
97.03922	1.6
98.02331	5.0
99.05478	5.9
100.03943	1.2
101.02314	1.3
101.07068	16.3
102.05467	100.0
107.02369	1.9
109.03937	51.1
120.28279	1.1
125.03439	16.1
127.05007	94.0
128.03407	84.8
142.03735	1.3
145.06073	78.2
145.09726	3.3
145.10780	2.0
146.03313	1.3
146.04477	23.0
153.15875	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02838	7.9
59.01236	4.5
67.02855	3.4
70.02845	1.8
71.01232	6.6
72.00756	5.9
72.04409	1.8
72.99155	1.8
73.02791	2.0
74.02330	22.3
82.02850	7.0
83.04892	2.1
84.04410	36.6
85.02838	1.9
86.02336	4.4
87.00719	3.2
95.50726	1.2
97.03937	3.1
98.02318	3.9
99.05523	6.2
101.02305	4.3
101.07062	20.5
102.05466	81.7
107.02341	2.0
109.03936	52.8
115.00224	3.6
125.03442	15.9
127.00317	1.7
127.05005	100.0
128.03409	72.7
134.45683	1.5
136.01120	1.3
143.03401	1.9
145.01364	2.7
145.05005	5.1
145.06068	85.2
145.09740	3.9
146.04469	18.0
149.92758	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	145.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02234	0.4
51.71867	0.4
55.22969	0.4
57.03304	1.4
58.99453	0.5
59.01234	4.2
61.53518	0.4
61.62509	0.5
65.03815	1.7
71.01235	4.3
71.04874	1.8
72.99159	1.0
73.02792	4.5
73.73733	0.5
74.02306	0.6
76.95095	0.5
81.03316	5.6
83.04869	9.1
84.04415	1.1
85.02805	4.8
87.00737	0.9
97.06441	4.3
98.15199	0.5
99.04391	2.8
99.05381	1.2
99.08009	100.0
100.08338	1.3
101.02312	1.1
101.05934	16.4
102.05443	0.9
107.71875	0.6
115.00270	0.7
117.03365	0.6
118.02840	1.6
118.03912	0.6
122.28979	0.6
127.03884	2.8
127.04950	0.7
127.07515	2.9
128.03410	1.5
143.03386	2.2
143.06993	1.4
145.02882	1.4
145.03891	2.6
145.04930	17.2
145.08582	66.0
146.02322	1.6
146.08894	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57510	0.6
57.03307	1.1
58.02850	0.6
59.01242	4.4
63.07610	0.6
63.31689	0.6
64.00484	0.6
65.03814	0.9
70.80811	0.7
71.01232	3.1
71.04868	1.8
72.76815	0.7
73.02799	3.2
81.03313	4.3
83.01242	0.8
83.04871	8.5
84.04404	0.9
85.02805	2.6
87.00739	1.4
89.64684	0.6
92.91986	0.7
97.06411	2.2
98.02403	0.7
99.04385	2.4
99.05322	0.7
99.08012	60.2
101.02305	1.0
101.05939	19.3
101.06990	0.8
101.09565	1.4
102.05466	1.8
109.03967	0.9
109.06454	1.6
117.03297	0.8
118.02855	0.8
127.03861	1.9
127.05009	1.3
127.07523	3.2
128.03404	0.8
143.03423	1.9
143.07027	3.0
145.01274	1.1
145.02951	1.3
145.03902	2.1
145.04936	14.9
145.06131	2.0
145.08583	100.0
146.08896	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	8.4
59.01239	10.9
63.10915	1.9
65.03815	4.1
71.01239	6.5
71.04880	13.9
73.02792	8.1
74.02325	2.3
75.58896	1.4
81.03307	12.8
83.04881	25.8
84.04393	2.5
85.02790	11.5
87.00731	4.1
97.03961	1.5
99.00684	2.0
99.04385	7.7
99.08015	100.0
101.02298	2.9
101.05943	51.0
102.05432	2.7
109.03952	1.8
115.00212	2.2
117.03387	2.6
118.02850	3.0
127.03903	7.3
127.05014	3.7
127.07514	7.2
128.03412	2.4
143.03339	3.3
144.96410	1.9
145.02977	3.0
145.03981	2.4
145.04955	43.6
145.06110	4.5
145.08585	74.5
146.02371	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	146.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16617	0.3
59.01248	1.7
59.09665	0.3
69.85761	0.4
70.44513	0.3
71.01234	1.1
72.00782	0.4
74.02317	1.5
75.31416	0.3
79.69912	0.4
82.02827	0.4
83.24854	0.6
84.04398	1.0
84.76084	0.3
85.02776	2.1
94.13427	0.3
101.02331	0.4
102.02569	1.3
102.05463	100.0
102.07961	1.1
103.05809	1.3
105.65863	0.4
127.93678	0.4
128.03403	45.9
129.01816	0.4
129.03719	1.1
137.59125	0.3
146.04471	26.2
146.06306	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.0
57.03317	19.4
59.01243	17.8
59.32637	0.5
60.15331	0.5
66.16466	0.5
71.00874	0.8
71.01241	11.2
71.04890	1.3
72.99168	3.3
73.02800	2.4
73.20834	0.5
75.00726	2.7
83.04895	0.6
85.00745	1.5
85.02807	86.1
86.03144	1.3
86.98601	1.6
87.00732	100.0
87.03130	1.2
88.01063	1.0
89.02312	1.3
97.72923	0.5
99.00733	9.1
99.01353	0.9
101.02309	8.2
101.05968	4.3
103.03871	15.1
104.04180	0.5
104.25438	0.5
115.00234	1.4
115.30956	0.6
117.01804	1.1
129.01810	23.1
147.02879	47.2
147.06511	12.4
148.03169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79268	0.7
53.24871	0.7
55.01731	1.3
57.03316	21.3
59.01242	25.9
71.01241	15.3
72.99169	9.0
73.02802	12.3
75.00723	7.5
83.01235	1.4
85.00666	1.6
85.02805	95.0
86.98467	1.4
87.00731	100.0
89.02300	2.4
98.74430	0.8
99.00739	14.6
101.02301	10.2
101.05920	2.5
102.05495	1.1
103.03865	15.8
103.05805	3.3
111.00737	1.1
115.00246	1.2
117.01801	3.7
129.01807	35.8
129.03743	2.6
146.71484	0.9
147.02873	54.7
147.06500	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	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	5.3
57.03310	5.7
58.00464	2.2
58.17590	1.2
59.01242	88.8
59.02400	1.5
66.73044	1.2
68.99673	2.9
70.02865	1.9
70.99537	1.3
71.01240	100.0
71.02781	1.4
72.99169	13.6
73.02790	1.3
75.00726	19.5
75.16676	1.4
77.82749	1.5
82.02839	2.5
83.01239	3.0
84.99173	1.7
85.02801	12.2
87.00740	24.9
89.02299	8.9
98.97852	1.8
99.00739	76.0
100.01109	1.7
100.98660	2.6
101.02296	8.2
101.05956	2.3
103.00233	79.4
103.03867	2.2
111.00722	1.9
115.72635	1.3
117.01750	1.8
119.01212	1.5
119.04893	36.5
119.05750	1.9
120.06543	2.3
129.01833	10.3
130.99721	1.6
146.99219	4.7
147.01898	2.8
147.02940	8.0
147.04401	92.3
147.06451	4.1
148.04840	2.5
165.05345	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	147.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74622	0.5
55.01744	1.8
57.03301	1.0
59.00968	1.0
59.01240	13.0
66.10645	0.6
68.99666	0.7
71.01238	25.5
75.00719	5.1
82.79074	0.6
85.02795	2.1
87.00742	1.0
89.02299	2.1
91.05347	0.7
93.03323	1.4
95.01252	0.7
99.00737	22.4
101.02285	1.5
101.03833	6.6
105.01780	0.8
108.02013	0.8
117.03323	6.8
119.02422	0.7
119.03220	0.9
119.04895	28.3
120.05258	1.0
121.02853	1.1
127.41212	0.7
128.99710	0.8
129.01801	0.9
139.39221	0.6
146.03645	1.5
147.04401	100.0
148.04750	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	4-Hydroxycinnamyl aldehyde
Peak:m/z	Relative Intensity
58.13711	0.5
59.01236	5.1
71.01239	8.5
75.00730	2.4
82.93622	0.6
85.02806	0.8
87.00711	1.0
89.02219	0.5
91.05387	2.7
99.00739	8.0
101.03828	1.7
104.72179	0.6
119.04896	16.2
129.03333	20.9
130.04134	5.2
145.02866	1.1
146.03635	4.9
147.04405	100.0
148.04739	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	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	6.2
57.03310	10.5
58.00455	1.4
58.97905	1.0
59.01242	71.5
61.98695	7.6
61.98946	1.0
66.80225	1.1
66.80538	1.1
67.01756	2.1
68.27789	1.0
68.99670	3.2
70.02816	1.2
70.99571	1.4
71.01239	100.0
71.02769	1.8
71.04872	1.4
72.99158	7.0
73.02815	3.7
75.00729	29.2
83.01240	6.0
83.74861	1.1
84.99158	3.2
85.02801	16.1
87.00718	10.3
89.02294	10.3
99.00738	92.4
101.02314	9.7
101.05938	2.7
103.03876	2.3
105.55979	1.2
111.00742	4.4
117.01822	2.8
119.04890	2.7
121.58992	1.2
129.01820	12.3
147.01857	2.4
147.02896	16.0
147.04408	42.7
147.05515	2.5
147.06393	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	149.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61317	0.5
57.03299	1.4
57.32797	0.5
59.01241	21.5
65.51025	0.7
69.03317	2.8
71.01237	20.7
72.99168	14.9
73.02802	15.7
74.99014	1.5
75.00729	100.0
76.01051	0.9
82.83184	0.9
85.02799	1.6
87.00734	8.5
89.00095	1.3
89.02296	66.0
90.02618	1.1
101.02278	2.0
103.03861	5.1
104.75598	0.7
113.83096	0.7
119.72878	0.8
131.02354	0.5
131.03369	15.4
149.04442	75.5
150.04752	1.9
168.82765	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63639	0.4
59.01242	6.3
66.52147	0.4
71.01234	3.5
72.99172	0.7
73.02837	0.6
75.00735	2.5
87.00740	1.0
89.02313	3.9
93.03322	1.0
94.99141	0.7
102.04609	3.9
103.05403	10.7
105.03321	0.6
107.04930	0.5
110.60607	0.5
121.02834	4.3
121.06524	0.5
123.04414	0.8
130.04121	60.6
131.04903	100.0
131.08662	1.0
132.05247	2.2
132.06667	0.7
134.03621	1.2
139.74556	0.4
149.02361	5.1
149.04448	2.5
149.05972	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	37.7
59.01239	32.8
64.15614	2.5
71.01244	22.1
72.99187	9.0
73.02803	2.4
73.86071	2.0
74.20812	2.1
75.00755	5.3
82.64400	2.2
89.02326	8.8
91.05391	38.4
93.03341	10.3
94.99189	6.1
95.04908	2.6
102.39844	2.3
105.03343	2.5
106.04134	5.4
108.02041	6.0
108.04467	3.0
119.04902	5.6
121.02821	100.0
123.04441	4.8
130.04138	2.7
130.38782	2.5
131.03453	3.3
131.04854	14.6
134.03621	51.0
135.04463	3.7
147.04456	6.6
148.76147	2.3
149.02332	58.9
149.04724	4.5
149.05969	50.1
149.07138	4.2
149.37494	2.5
150.05569	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	150.0311
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01336	0.9
65.67954	0.9
66.03334	1.0
71.01250	1.0
93.03317	2.3
94.02814	1.2
95.01242	3.0
103.96107	1.0
107.04876	6.7
108.02019	6.9
108.04411	2.1
109.02806	2.1
121.02801	3.0
122.02343	1.2
122.03575	5.9
122.05992	2.7
123.00772	3.9
123.04379	9.5
133.02858	1.1
135.04041	1.0
136.01538	57.4
139.03896	3.5
149.02289	7.8
150.03110	100.0
150.05501	8.4
150.08809	1.1
151.03896	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	151.0389
Annotation	Vanillin
Peak:m/z	Relative Intensity
55.12346	0.3
55.75112	0.3
59.01244	0.5
69.03319	0.5
70.00436	0.4
71.01241	0.7
79.01746	1.0
82.00451	1.5
83.64642	0.3
91.01760	1.5
92.02531	25.0
93.03331	1.8
95.01244	10.9
107.04889	1.7
108.02034	11.9
119.01250	1.5
121.02812	0.5
122.03573	0.4
123.00736	1.7
123.04395	0.6
135.97209	0.7
136.01541	67.1
137.01881	1.5
150.98703	1.0
151.03899	100.0
152.04228	1.4
159.74852	0.3
168.69211	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0389
Annotation	2-Hydroxyphenylacetic acid
Peak:m/z	Relative Intensity
55.16438	0.3
55.65688	0.3
72.64234	0.4
79.79668	0.4
92.02541	0.9
99.42744	0.4
101.80334	0.4
107.04888	100.0
107.07890	1.1
108.01958	0.5
108.05218	1.1
111.73629	0.4
136.01532	0.8
149.97955	0.5
151.03899	19.2
152.04260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0389
Annotation	Vanillin
Peak:m/z	Relative Intensity
52.18686	0.3
57.66417	0.3
59.01205	0.8
66.03323	0.4
67.01734	0.3
71.01213	0.7
78.18746	0.3
79.01713	1.6
81.03296	0.5
88.39468	0.3
89.02275	0.7
92.02505	1.0
93.03282	1.2
95.01264	2.0
95.04848	0.6
101.02266	0.6
103.32359	0.4
107.04882	3.9
108.02026	8.0
108.04377	0.8
109.02821	0.4
109.14746	0.4
120.76809	0.4
122.03584	2.9
123.00736	0.7
123.04385	4.9
135.97609	1.1
136.01537	100.0
136.05983	0.8
137.01881	1.3
142.26900	0.4
151.00269	0.4
151.02649	0.7
151.03903	15.1
151.04889	0.6
151.07523	9.1
160.58821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64027	5.3
61.96945	5.3
67.05386	100.0
67.06814	5.5
71.01244	6.0
71.23970	4.7
74.43433	4.7
78.49706	5.5
79.01763	6.4
84.02008	6.9
95.01239	12.6
107.04883	23.9
107.08524	93.9
108.02000	10.7
108.04437	7.7
122.03646	6.4
123.04409	7.4
136.01541	99.7
151.03931	27.6
151.07523	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	151.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08463	1.1
55.05465	1.5
59.01235	4.5
66.03331	2.0
67.47809	1.7
71.01234	3.8
73.02816	2.0
79.01747	7.0
80.71605	1.6
81.03302	2.4
86.73623	1.5
87.14237	1.6
89.02293	4.2
92.02551	1.6
93.03363	1.8
95.01245	9.7
99.98173	1.6
101.02296	4.3
107.01269	2.6
107.04894	23.3
108.02027	8.1
108.04422	5.4
108.05162	1.7
109.02810	3.5
120.39648	1.7
121.55475	1.8
122.03619	5.6
123.00749	4.1
123.04388	14.0
125.05956	12.4
135.04395	2.8
136.01524	39.5
136.02475	2.9
136.05168	20.1
150.06712	3.4
151.03926	30.6
151.04999	4.1
151.07535	100.0
152.78535	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71696	0.5
59.62860	0.6
60.03576	0.5
60.79361	0.5
67.50483	0.5
78.85507	0.5
80.02515	3.2
81.03308	1.6
91.01732	1.6
95.86216	0.6
108.02031	39.6
108.04415	1.0
109.02816	100.0
109.99950	0.7
127.38719	0.6
137.01872	2.5
137.99425	1.0
138.03125	0.7
139.24965	0.7
152.01042	22.9
152.04305	0.8
153.01833	15.5
153.05473	1.4
166.99498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0342
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
52.64214	0.5
60.55070	0.6
61.29509	0.6
63.80185	0.5
66.03345	1.0
72.87455	0.6
81.23282	0.7
108.02007	1.1
108.04402	1.4
109.02822	14.0
118.30136	0.6
121.02850	1.1
122.03603	41.1
129.20651	0.7
152.03421	100.0
152.08243	1.4
153.01831	2.7
153.03790	1.2
172.07928	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65174	0.3
63.67152	0.3
66.03338	1.3
66.13834	0.4
69.46343	0.3
78.03328	1.1
80.04899	0.5
81.03320	0.8
106.02844	0.6
107.03638	5.2
108.02040	2.3
108.04408	1.9
108.05208	1.0
109.02818	26.9
110.64753	0.3
118.59603	0.4
121.02825	0.8
122.02296	1.0
122.03606	30.6
135.03180	0.6
137.99487	0.9
152.03423	100.0
152.08812	0.7
153.01840	4.6
153.03755	1.8
160.73288	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0181
Annotation	3,4-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
65.03840	0.2
69.58608	0.2
77.61803	0.2
81.03319	1.7
91.01747	1.1
92.33295	0.2
108.02032	7.6
108.99421	0.7
109.02814	100.0
109.05762	1.4
110.03155	2.3
138.88907	0.2
153.01826	14.3
154.02147	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.3
63.02256	1.4
65.00189	7.4
66.03336	0.6
67.01744	2.4
68.99672	5.7
81.03307	3.9
82.00433	0.9
83.01240	20.6
84.50417	0.6
85.02819	2.0
91.01761	1.2
101.41334	0.6
107.01251	10.6
107.01972	0.7
108.02033	6.9
108.99783	1.1
109.02814	100.0
109.99967	2.0
110.03158	2.4
111.00743	1.9
125.02325	9.2
137.99458	6.4
151.00258	34.6
152.00610	1.1
152.96671	0.9
153.01822	73.8
154.02170	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	153.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43876	1.3
53.74326	1.3
63.63326	1.6
66.97200	1.4
71.04890	2.1
71.49178	1.4
74.74081	1.6
78.57953	1.6
79.84551	1.6
81.03288	2.1
85.79827	1.7
97.06441	14.3
97.63857	1.7
99.08017	3.1
108.02032	10.0
109.02818	100.0
109.99973	3.0
110.03142	2.4
125.02347	2.1
125.09548	2.3
129.45656	2.1
137.99472	5.9
139.64986	1.8
143.04752	1.7
146.14320	1.8
153.01816	23.0
153.05467	2.7
153.12741	67.0
154.13057	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	154.9974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30281	1.2
51.26597	1.6
55.01753	60.7
55.80403	1.4
61.02873	1.4
64.40879	1.4
64.42367	1.4
65.03825	2.1
66.19228	1.4
67.01740	5.0
68.99667	1.6
70.43214	1.6
71.01250	10.1
78.95736	2.2
79.45003	1.4
81.03305	5.4
83.01243	43.8
83.04884	13.5
85.02802	2.1
93.03316	100.0
93.05620	1.9
109.02829	5.5
111.00732	6.6
111.04384	22.4
114.05452	7.9
115.07043	1.6
118.27546	1.6
127.00262	11.3
137.02315	19.4
139.97406	2.0
140.01007	6.0
154.99756	62.5
155.03362	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	154.9975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36829	0.9
55.01741	2.1
59.01226	1.5
65.03820	3.2
67.00299	1.9
67.01749	100.0
69.31651	1.0
81.03326	4.4
83.01277	1.8
83.04876	11.8
84.04374	1.3
93.00937	1.5
93.03318	90.1
94.03693	1.3
99.04278	1.1
100.47933	1.2
109.02844	1.8
111.00741	42.1
111.04374	13.0
111.07933	1.2
112.02935	1.1
114.05508	2.2
115.33015	1.2
123.00781	1.1
137.02312	10.9
140.01054	4.3
154.99759	13.7
155.02260	1.1
155.03348	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	157.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23817	0.5
55.95739	0.4
59.20059	0.4
71.01225	0.6
83.04884	0.6
91.72684	0.9
95.04875	0.5
106.44443	0.5
107.45103	0.5
113.05946	100.0
114.06268	1.0
119.73277	0.6
127.00253	1.1
151.81580	0.5
157.04962	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	5.3
58.00459	19.9
59.01238	10.3
67.01734	2.3
68.16624	2.7
68.99692	4.4
69.03302	4.6
71.01245	7.5
75.00736	3.3
81.03307	4.4
83.04872	29.6
85.02816	7.1
85.06429	4.3
88.51762	3.0
93.03315	4.4
95.04877	32.2
99.00731	5.6
100.18385	2.6
110.56158	2.6
111.00704	2.8
111.08015	56.7
113.05948	41.5
113.09601	5.1
115.00246	6.0
121.02817	10.0
127.00238	12.5
127.07507	3.2
137.02179	2.7
139.03970	6.1
139.07565	4.1
146.35475	2.9
157.01323	4.6
157.04958	43.5
157.06187	3.9
157.08594	100.0
157.12233	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	159.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05428	1.0
55.01752	7.5
56.03434	1.2
56.15681	1.0
57.03317	26.0
58.00447	3.4
59.01231	4.2
59.25813	1.0
69.03306	1.4
71.01234	6.8
73.02800	2.0
75.30373	1.2
83.01240	100.0
83.04864	1.8
85.02796	15.1
87.00729	3.4
87.04366	16.2
88.03889	2.1
91.72751	1.2
92.33029	1.1
93.33134	1.2
97.02810	5.5
99.00735	5.3
101.02312	1.5
106.07392	1.2
111.00754	2.4
113.05942	3.9
115.00225	3.5
115.03846	1.6
117.95827	1.2
121.02836	1.4
127.00237	7.6
129.01830	2.2
157.04936	2.4
159.02859	8.2
159.06491	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	159.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	8.0
55.48641	0.8
56.09829	0.8
57.03319	24.6
57.03591	1.7
58.00457	2.5
59.01257	3.0
61.88857	0.8
69.03326	2.4
71.01237	7.5
73.02831	2.7
77.37608	0.9
82.99241	1.6
83.01238	100.0
84.01618	1.0
85.02809	14.7
85.03220	1.1
87.00761	2.3
87.04374	17.2
87.04872	1.2
88.03918	3.0
88.15816	0.9
91.30032	0.9
97.02811	4.7
99.00742	6.4
101.02283	1.0
109.14072	0.9
111.00750	1.3
113.05991	3.9
115.00279	3.7
115.03925	1.4
118.96699	0.9
121.02850	1.4
123.04398	1.4
127.00233	7.3
129.01799	2.2
141.05453	1.2
157.05037	2.3
159.02927	6.7
159.06526	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	159.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15633	0.3
56.47674	0.3
57.03293	0.5
59.01237	0.7
61.93258	0.3
66.10748	0.4
71.01253	0.8
73.02801	2.3
78.80077	0.4
83.01249	0.6
85.02798	1.6
87.00748	0.8
97.02840	0.9
97.06443	4.6
99.00734	0.9
101.02311	0.9
111.00748	1.0
113.02315	1.0
113.05942	0.5
115.07512	100.0
115.10857	1.2
116.07835	1.1
116.92738	0.6
123.27204	0.4
129.01807	1.0
131.02393	0.4
141.05440	2.1
159.02953	2.1
159.06523	29.7
159.11909	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.4
57.03310	0.9
59.01241	0.7
65.98958	0.2
68.99668	0.4
71.01234	0.6
73.02804	2.4
76.89274	0.2
80.04074	0.2
83.01229	0.8
83.04854	0.3
83.06644	0.2
85.02808	1.6
87.00724	0.7
87.09696	0.5
92.61945	0.2
97.02821	0.4
97.06445	6.2
99.00742	0.9
101.02313	0.4
111.00742	1.1
113.02270	0.3
113.05905	0.6
115.07512	100.0
115.10851	1.3
116.07858	2.0
129.01811	0.7
129.64009	0.3
141.05472	1.9
150.47655	0.2
159.02873	1.2
159.06522	27.9
160.06873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10733	1.3
54.89961	1.5
55.01745	3.2
57.03312	11.2
58.00457	2.7
58.78866	1.6
59.01243	81.0
59.02378	1.8
62.71122	1.3
69.03310	5.7
71.01241	72.0
71.02713	1.7
72.99168	46.5
73.02806	54.6
74.88858	1.6
75.00728	6.8
75.62260	1.6
81.03317	14.0
83.01238	23.8
84.02032	1.9
85.02806	100.0
86.43037	1.5
87.00722	14.3
87.08107	1.4
87.92396	1.9
89.02299	27.7
90.96895	1.6
95.01254	2.1
97.02811	7.5
99.00732	18.9
99.04385	2.9
101.02304	14.2
103.00242	2.3
103.91886	16.2
104.92675	3.5
106.94239	7.1
113.02319	10.0
115.39437	1.5
125.02328	3.6
131.03375	44.1
133.01326	1.7
133.02831	1.8
135.33093	1.6
142.42551	1.9
143.03381	4.1
160.89267	3.0
160.91696	1.9
161.00829	92.5
161.02298	9.9
161.04448	35.3
161.05827	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	161.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37247	1.3
55.01744	3.2
57.03318	49.9
58.03646	1.9
59.01244	88.4
60.97268	1.2
61.10927	1.2
63.17355	1.3
69.03321	8.3
71.01240	63.2
71.04878	7.2
72.99174	8.5
73.01194	1.5
73.02394	3.1
73.02806	59.9
74.58968	1.4
75.00742	7.6
81.03297	10.9
83.01250	18.8
84.02031	3.2
84.87128	1.3
85.02808	100.0
85.63516	1.3
86.03144	2.4
87.00735	11.8
87.04391	4.1
89.02291	20.2
93.03280	1.7
95.01241	5.9
97.02823	11.4
99.00734	3.9
99.04375	54.2
99.05000	3.2
101.02307	44.7
103.03853	1.6
107.51226	1.4
113.02312	37.2
113.05920	1.6
115.03888	4.1
117.05453	5.7
125.02350	6.2
131.03380	34.3
143.03368	15.2
146.02100	1.5
161.00841	2.4
161.02374	2.0
161.04459	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13650	0.4
56.01593	0.4
56.08038	0.4
59.01240	0.5
64.50147	0.4
91.03197	0.6
91.05389	40.4
91.07847	0.4
92.05721	1.1
93.03312	1.6
101.02304	9.3
119.04893	100.0
119.08537	0.9
120.05241	2.4
126.17582	0.5
135.04419	2.0
162.25694	0.5
163.00327	0.8
163.03940	6.2
163.06023	2.8
173.23325	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62992	0.2
54.87256	0.1
60.45002	0.2
63.27281	0.2
91.05379	0.4
93.03313	1.8
101.02285	0.9
109.32864	0.2
117.03337	0.3
119.01308	1.2
119.04890	100.0
120.05216	2.4
129.32695	0.2
133.93040	0.2
163.03902	6.5
163.05994	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
56.52623	0.1
63.51516	0.1
63.76780	0.1
65.57497	0.1
91.05387	0.4
93.03310	1.3
101.02309	0.8
104.02547	0.2
117.03374	0.2
119.01554	1.3
119.04891	100.0
120.05219	2.2
144.67310	0.1
163.03908	7.6
169.71465	0.2
184.66930	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.06
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18968	0.3
52.52052	0.3
55.01739	0.4
57.03305	1.3
58.71317	0.3
59.01233	1.1
68.38709	0.3
68.67139	0.5
69.82387	0.3
70.52937	0.3
71.01233	1.1
72.99177	0.6
73.02799	2.7
85.91548	0.4
86.81030	0.4
87.00777	0.4
87.04362	1.1
89.02306	1.8
89.95614	0.4
91.73310	0.6
92.21420	0.3
95.90222	0.4
97.91071	0.4
99.00704	0.8
100.99451	1.1
101.02299	100.0
101.04780	1.2
102.02618	1.0
103.00193	0.9
106.31296	0.4
119.03374	10.0
119.04778	1.8
145.04941	0.6
163.06012	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41514	0.9
64.14477	0.8
70.04353	0.7
70.57532	0.8
75.37308	0.8
106.04099	2.6
111.43037	1.0
119.08555	4.7
121.02828	4.8
125.29845	0.9
135.11662	3.9
163.11185	100.0
164.11539	2.8
172.11447	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0468
Annotation	N-Methyl-N,4-dinitrosoaniline
Peak:m/z	Relative Intensity
59.01242	2.8
59.88545	2.1
65.00172	3.2
69.48170	1.7
71.50843	1.9
72.00772	4.2
82.82543	2.3
91.05386	5.2
92.04858	2.4
92.99684	9.9
93.03321	7.7
101.02315	3.2
102.02636	4.9
102.99255	2.1
103.05386	2.8
105.03350	9.2
107.04902	3.1
108.02019	2.9
119.04894	21.3
120.04436	7.0
120.05223	100.0
121.02798	10.6
122.03528	2.7
123.04382	2.5
135.04390	21.3
140.15027	2.4
145.02826	21.2
146.03632	14.9
147.04408	59.6
149.02338	8.8
150.03111	6.2
159.32434	2.3
163.02655	3.4
163.03865	16.2
164.04703	50.0
164.06993	7.0
164.98112	2.3
165.01828	5.4
165.05431	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	164.0706
Annotation	L-(-)-Phenylalanine
Peak:m/z	Relative Intensity
60.40060	1.0
63.58663	1.0
72.00761	36.6
72.01162	1.8
84.59689	1.2
91.05389	4.8
92.99680	2.7
93.87138	1.1
147.04401	100.0
164.07076	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.107
Annotation	Hordenine
Peak:m/z	Relative Intensity
54.34549	0.5
58.76788	0.4
59.01244	0.7
59.87857	0.5
69.80383	0.5
73.13230	0.5
74.11359	0.7
78.89804	0.6
83.07249	0.6
87.00735	1.2
92.99702	1.1
93.03325	3.8
105.01816	1.1
106.01296	1.2
106.04105	79.9
106.07266	1.0
107.04369	1.1
108.02038	9.7
119.04905	0.6
120.04450	1.1
120.05235	2.4
121.02837	3.0
122.03579	2.3
135.04492	2.6
137.02304	0.8
138.03088	4.3
149.02306	1.0
150.03116	8.7
156.90900	0.6
164.03448	0.8
164.07127	2.7
164.10703	100.0
164.16797	1.1
165.01849	2.8
165.03989	0.9
165.05478	1.5
165.11032	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0182
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
59.01232	0.4
65.00189	1.3
68.25423	0.4
71.38247	0.4
75.00728	0.5
77.03820	9.2
79.01744	3.5
92.54114	0.7
92.99673	6.0
93.03309	9.3
95.04868	0.6
99.20284	0.4
109.02818	0.8
111.54944	0.4
121.02816	100.0
121.06394	1.6
121.70086	0.4
122.03134	1.8
135.04311	0.6
137.02318	2.4
139.03883	1.5
144.66135	0.4
165.01828	65.0
165.05511	1.5
165.07455	1.0
166.02206	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.1
59.01240	10.5
71.01239	8.1
72.99167	5.6
73.02812	3.5
75.00732	55.0
76.01069	0.8
81.03365	0.7
85.02817	1.8
87.00734	100.0
87.02975	1.4
88.01080	1.5
89.02284	3.2
93.03292	1.8
99.00742	17.7
101.02319	4.3
105.01797	77.1
105.04727	0.9
117.01789	3.4
121.02835	1.7
126.37461	0.8
129.01839	6.1
135.02838	1.7
135.70639	0.8
147.02878	10.0
160.84143	0.8
165.01733	1.9
165.03947	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87994	3.7
55.00829	4.9
58.00462	94.1
59.01230	20.8
68.89207	4.1
71.01244	11.6
72.00741	10.2
82.46525	4.3
92.99683	4.9
93.03314	57.4
95.86333	4.4
106.04077	8.8
107.04888	78.5
108.48933	4.8
109.02765	4.5
119.04906	73.3
120.05257	5.4
121.02080	7.4
121.02824	45.5
122.03613	11.0
124.59509	4.4
125.30927	4.6
134.03630	7.5
135.04393	100.0
137.02362	10.3
137.05922	8.5
147.04391	13.5
148.04745	31.6
150.03127	39.0
165.01843	16.1
165.05455	49.2
165.07475	16.6
166.76550	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	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10334	0.1
54.80939	0.1
58.00474	0.1
59.01229	0.5
62.47084	0.1
62.58483	0.1
65.00180	0.2
65.03812	0.2
68.99679	0.2
75.00723	0.2
77.03825	2.3
79.01753	0.8
81.03316	0.2
83.01273	0.1
87.00729	0.3
92.02514	1.3
92.99685	0.4
93.03315	19.8
93.05652	0.3
94.03645	0.3
95.01258	0.4
95.04906	0.2
99.24982	0.1
106.04120	0.3
107.04890	1.4
108.02033	3.5
109.02834	0.7
119.04888	0.4
120.02030	1.6
121.02821	8.6
121.06398	0.2
122.03587	0.5
123.04387	0.4
131.24431	0.2
135.04395	100.0
135.08432	1.3
136.01569	0.2
136.04744	2.2
137.02330	2.3
139.03879	0.5
147.04382	0.6
150.03113	1.5
158.82280	0.1
160.59029	0.1
165.01836	14.9
165.05464	7.9
166.02213	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Dihydro-3-coumaric acid
Peak:m/z	Relative Intensity
59.01244	39.5
65.00179	3.3
67.58956	1.3
71.01247	1.7
91.72742	1.3
92.99676	21.7
93.03318	25.0
107.04897	2.5
109.25342	1.3
116.63106	1.3
119.04844	6.3
121.02823	16.9
121.06457	27.8
123.04415	2.8
135.04439	1.7
137.02309	3.1
148.04837	1.3
150.03139	2.8
158.75908	1.2
164.99750	1.7
165.01845	11.7
165.05472	100.0
166.05809	1.4
177.84935	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26030	0.5
50.66104	0.5
55.21330	0.5
57.03313	1.0
59.01248	5.9
65.00188	4.9
66.03362	0.7
67.01752	1.1
71.01213	1.5
77.03822	2.3
80.04945	0.8
81.03317	5.9
83.01236	1.2
83.04890	2.2
85.02800	1.5
87.04362	0.7
90.26814	0.6
92.99677	28.3
93.03319	13.7
95.01231	1.5
95.04884	8.9
103.91899	0.8
105.03398	0.7
106.04106	1.3
107.04877	2.5
108.02032	8.5
109.02832	3.3
109.06510	1.5
111.04379	1.9
119.04894	8.0
120.94975	1.3
121.02823	26.2
121.03725	1.3
121.05625	0.9
121.06453	9.1
121.92194	1.3
122.03625	9.5
122.05989	1.4
122.89272	3.6
123.00735	0.7
123.04389	32.7
124.03924	1.2
124.04721	0.9
135.04399	7.9
136.01523	1.9
137.02353	3.8
137.05965	8.9
139.03914	1.2
147.04417	8.6
149.00899	1.2
150.03140	3.4
150.04153	0.6
164.83522	24.5
164.90472	0.8
164.98296	3.1
164.99777	1.5
165.01834	15.5
165.05470	100.0
166.05943	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	166.026
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36700	0.9
58.87947	0.9
60.74667	1.0
65.00211	1.2
66.03338	4.5
67.01752	1.8
80.04896	2.2
81.03321	5.1
83.01254	1.6
91.73358	2.5
93.03314	4.0
93.99999	3.2
94.02845	2.2
95.01250	6.5
95.04890	2.6
97.02820	1.7
99.04397	2.0
107.03653	2.5
108.02023	3.7
108.04419	4.9
109.02825	3.3
110.02383	1.4
111.86979	1.2
121.02830	3.8
122.03153	6.5
122.06038	6.9
123.00739	4.4
123.04402	10.6
123.05478	2.0
124.01538	4.5
124.03928	5.9
125.02312	2.8
136.03918	1.7
137.02327	8.7
138.03177	14.3
138.05493	4.7
139.00227	1.4
139.03906	6.8
148.03925	1.7
152.01036	6.2
155.03450	1.6
165.01863	8.7
166.02623	100.0
166.04994	9.4
167.03416	16.5
170.36104	1.2
172.00249	1.2
174.13689	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0499
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
66.03352	1.7
67.01759	0.3
78.03358	0.3
80.04913	0.5
81.03288	0.3
90.03306	0.3
90.42316	0.2
91.72745	0.5
92.04903	1.1
92.99651	0.4
93.03320	0.7
93.99984	0.6
94.02830	0.4
95.01226	1.3
97.02841	0.3
105.02044	0.3
107.03632	0.6
108.02017	0.7
108.04383	0.7
109.98809	0.3
111.04441	0.3
111.07610	0.2
116.44766	0.3
118.02891	0.5
119.03681	0.3
120.04414	0.5
121.02839	1.3
121.05190	2.9
122.02353	0.6
122.03161	1.0
122.06028	1.4
123.04403	1.5
124.01569	0.4
124.03868	0.9
125.02345	0.4
135.04417	1.0
136.05180	22.4
137.05533	0.5
138.05438	0.4
148.03929	0.6
152.01028	1.3
166.04997	100.0
166.10646	1.1
167.03418	1.7
167.05371	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	166.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38090	0.2
52.75454	0.2
57.32217	0.2
60.79055	0.2
66.03361	0.6
66.41123	0.2
73.77715	0.2
78.99450	0.2
79.11791	0.2
82.21506	0.2
93.03323	0.9
95.01271	0.4
121.02821	12.2
122.03175	0.4
122.05972	0.3
123.04390	0.4
124.03906	0.4
136.05182	10.9
151.02638	32.1
152.01021	0.3
152.02986	0.8
165.99704	1.1
166.04994	100.0
166.11069	0.9
167.03442	0.4
167.05334	2.4
171.66745	0.2
183.01640	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	167.0339
Annotation	Dihydroxyphenylacetic acid
Peak:m/z	Relative Intensity
67.28770	0.6
75.74568	0.4
79.05387	24.8
81.03316	23.9
89.34750	0.8
95.01291	0.7
96.95873	0.8
106.62144	0.6
123.00803	1.2
123.04385	100.0
124.04723	1.1
140.82375	0.6
167.03403	51.4
185.16997	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0339
Annotation	PHLORACETOPHENONE
Peak:m/z	Relative Intensity
51.94133	0.4
57.03308	1.4
59.01232	2.2
60.95079	0.5
63.02232	0.6
65.00179	1.9
73.37537	0.4
76.25330	0.4
79.24011	0.4
80.02547	0.5
80.51825	0.4
81.03313	20.1
83.01247	7.0
83.80786	0.6
93.03290	0.6
94.39195	0.9
95.01241	2.2
95.04875	2.7
97.02808	0.7
99.04336	0.6
107.01249	2.3
108.02037	1.8
108.97813	0.5
121.02834	0.7
123.00658	1.6
123.04384	100.0
124.01596	0.8
124.04714	2.4
125.02314	6.4
148.21083	0.5
149.02332	0.6
151.00262	3.6
152.01033	2.5
152.04630	0.6
167.03395	86.4
168.03777	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00176	1.3
70.07253	0.4
70.21625	0.3
80.02535	1.6
91.01749	7.6
93.20180	0.4
95.01252	0.5
108.02028	57.7
109.02384	1.1
111.00744	0.9
123.00656	0.4
123.04384	24.1
123.07839	0.4
124.01551	1.3
138.03113	1.2
139.03882	2.0
152.01038	100.0
152.05791	1.2
153.01376	2.5
167.03391	22.2
168.03743	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01748	7.3
69.03313	15.3
69.12571	5.4
81.03325	7.4
84.43018	5.4
85.91280	6.0
92.11265	4.8
93.03324	9.9
95.01250	31.5
95.04882	6.7
97.02810	20.6
99.07988	10.8
99.33121	5.2
100.62556	4.9
100.68755	6.2
108.02027	33.3
108.04408	5.5
111.04388	5.8
121.02866	6.5
123.00744	6.5
123.04409	68.9
123.05341	8.4
124.01500	10.7
125.02334	21.5
138.03093	12.3
139.03889	21.9
152.01053	53.1
166.18767	6.8
167.03403	91.2
167.04616	10.5
167.05846	6.3
167.08429	7.5
167.10687	100.0
172.90915	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	168.0292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97900	0.6
61.06046	0.5
66.03345	1.2
69.03320	0.7
71.01226	0.7
72.83918	0.6
78.03364	1.7
79.05374	0.9
80.05736	2.3
81.03309	1.7
82.02839	2.2
82.03638	1.2
95.01288	0.7
96.04436	1.0
97.02789	1.4
97.06479	1.0
108.02029	46.2
108.04428	5.4
109.02328	0.8
109.66302	0.6
110.02393	0.8
122.02347	2.7
122.05957	1.5
123.04362	3.3
124.02184	0.9
124.03949	0.7
124.04726	13.9
124.07539	0.9
133.50908	0.7
137.97638	1.2
138.01843	96.4
138.05431	1.5
138.06461	1.3
139.02203	1.6
150.05440	0.8
151.03915	0.8
153.01410	1.4
165.95845	1.2
166.01353	83.1
167.01666	1.8
168.02876	100.0
168.06490	4.2
169.03250	2.2
169.04936	1.3
169.08595	0.8
173.74544	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0292
Annotation	2-Furoylglycine
Peak:m/z	Relative Intensity
65.03824	0.6
65.12662	0.4
65.99707	0.7
66.03328	0.5
69.03321	0.5
71.12748	0.4
71.45747	0.4
80.04898	0.4
82.02834	1.1
96.04385	0.5
97.02801	0.8
100.74783	0.5
107.04826	0.6
108.04398	2.9
109.01519	0.5
109.02829	1.4
111.05154	0.5
111.72865	0.5
112.03895	0.6
114.43105	0.4
122.05945	1.2
123.03059	0.5
124.01511	1.1
124.03866	0.5
124.04695	1.5
124.07525	0.8
125.02379	0.5
125.05949	0.7
128.44524	0.4
137.02318	10.1
138.03107	21.1
138.05455	0.8
139.03542	0.4
143.49042	0.4
150.05453	0.5
151.03888	0.8
153.00526	1.5
168.02911	100.0
168.06592	1.7
169.03265	1.9
169.04794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76954	1.5
58.02842	100.0
59.03157	1.2
63.00876	1.2
70.02818	1.9
82.95248	2.5
87.52313	1.5
96.37829	1.5
100.74934	1.3
113.52896	1.5
138.03125	1.9
139.03506	5.9
140.04231	8.0
168.03746	23.2
168.13840	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	168.9982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00179	1.6
59.01241	5.1
71.01245	8.7
74.53616	0.5
74.99249	3.6
80.96377	3.0
80.99696	1.0
93.38512	0.5
96.95889	0.6
98.89485	0.9
109.98457	1.3
117.00304	1.2
125.00820	28.1
125.02241	1.1
125.04282	0.6
126.00957	1.1
126.94902	1.0
126.98750	100.0
127.98883	4.0
134.85614	0.6
141.97470	20.7
142.97598	0.9
150.96957	6.3
165.65620	0.6
168.98073	5.8
168.99840	31.1
169.99921	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.38322	1.5
59.72317	1.5
69.03310	6.5
71.01226	3.4
71.04870	12.5
73.02811	4.2
81.03320	4.6
83.04881	1.6
84.02029	2.8
87.04368	5.7
97.02811	7.4
97.06445	2.2
98.03600	30.1
99.04373	49.3
107.04057	1.7
107.04831	2.0
111.00743	2.5
111.08001	3.7
123.04373	5.4
123.08049	10.2
124.05133	3.7
124.09060	1.7
125.04987	2.2
125.05947	6.6
125.09583	100.0
126.03101	5.7
126.06734	2.9
136.05164	3.0
137.05971	2.6
139.07515	6.7
141.09088	32.7
151.07501	2.4
154.06291	9.7
154.07294	1.7
169.01343	3.2
169.05005	2.3
169.08609	17.0
174.16479	1.6
187.56491	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	169.086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	9.3
59.01268	7.1
68.16193	3.1
69.03330	6.1
69.89094	3.4
71.01258	4.9
81.03345	5.0
83.04903	5.1
86.83537	3.7
87.00789	3.9
97.02868	4.3
97.06496	4.6
107.04917	6.0
107.08508	21.6
109.02831	3.7
123.04421	10.3
123.08103	6.1
125.02358	9.4
125.05984	13.4
125.09623	17.5
126.05454	4.3
139.07562	13.1
151.07587	11.3
153.99016	10.6
169.01347	8.4
169.05052	10.3
169.08611	100.0
169.09993	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	169.086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28319	3.6
54.43382	4.2
57.03316	26.6
59.01228	6.3
65.00198	8.7
69.03296	5.0
69.56956	4.4
70.12209	4.3
71.01257	5.3
83.01247	21.9
85.02785	5.7
89.12174	4.6
95.04869	5.1
96.31374	4.9
97.02824	7.4
97.06440	8.0
99.04402	7.6
107.01266	11.8
107.04895	13.6
107.08543	14.9
109.02814	7.6
115.75235	4.3
116.74586	5.0
123.04400	7.6
123.08042	12.3
125.02349	17.2
125.06009	11.3
125.09589	14.2
126.05445	5.0
129.50087	5.1
136.26468	4.8
139.03865	5.1
139.07518	10.5
147.02046	6.2
151.00235	40.9
151.03946	9.3
151.07506	11.0
153.98895	7.9
169.01334	35.0
169.05011	14.9
169.08609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.1
57.03308	3.5
58.00454	1.9
59.01230	1.7
64.92696	0.5
65.03825	2.5
67.01745	4.2
69.03308	2.7
69.35513	0.5
71.01238	6.9
71.04871	1.2
72.74058	0.5
72.99160	0.9
73.02805	45.3
73.04469	1.1
74.03139	0.8
81.03313	7.2
83.01234	1.0
83.04381	1.3
83.04876	19.8
84.96935	0.4
85.02807	21.8
93.03316	100.0
93.05795	1.6
94.03653	1.5
95.01241	0.5
99.00743	12.0
99.04379	12.3
101.02310	1.6
102.84184	0.5
105.63156	0.5
109.02833	1.0
111.00746	47.5
111.04384	31.1
112.01062	1.1
112.04719	1.0
113.02316	0.6
121.70513	0.5
125.55117	0.5
129.01804	6.8
129.05481	0.7
131.08075	0.5
137.02327	25.4
138.02623	0.6
142.99771	0.8
143.03386	3.9
154.99844	1.3
155.03400	8.9
173.00891	0.6
173.04460	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	173.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	0.7
57.03315	2.7
58.00454	1.4
59.01237	1.6
65.03812	2.5
67.01746	2.9
69.03307	2.5
71.01239	6.4
71.04874	1.1
72.99155	1.2
73.02806	43.5
73.04462	0.7
74.03142	1.0
75.23779	0.5
81.03317	6.8
83.01254	0.9
83.04884	19.4
83.35618	0.6
85.02808	13.4
93.03316	100.0
93.05701	1.7
94.03651	2.5
96.02031	0.8
99.00738	12.4
99.04372	11.2
101.02311	1.3
108.96390	0.5
109.02814	1.3
111.00750	18.5
111.04384	30.4
115.00258	0.6
129.01813	4.5
131.08142	17.0
131.09068	1.1
137.02330	24.1
137.03381	1.3
138.02705	0.9
142.99773	0.6
143.03381	3.2
154.99821	0.8
155.03389	7.6
173.04468	11.8
173.10425	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	4.8
58.00452	1.2
59.01248	2.6
60.99158	1.4
65.03811	1.5
66.58687	0.4
67.01414	0.8
67.01748	9.2
69.03304	3.3
71.01239	5.7
71.04870	1.1
72.99150	0.5
73.01186	0.4
73.02805	25.4
81.03309	4.5
83.01284	0.5
83.04879	24.4
83.67670	0.4
85.02797	3.5
85.13112	0.4
93.01010	1.2
93.03316	81.0
94.03638	1.4
99.00733	5.7
99.04374	5.8
101.02324	1.0
109.06476	4.0
111.00742	0.6
111.04379	18.0
111.08018	100.0
111.11452	1.1
112.08357	1.9
116.19873	0.4
116.24005	0.5
129.01845	2.9
129.05453	0.5
129.09084	6.1
137.02330	12.9
143.03352	3.2
155.03400	4.8
155.07025	1.0
160.24092	0.5
173.02324	0.8
173.04509	8.8
173.08102	41.3
174.08470	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85210	0.5
57.03295	0.9
59.00024	0.6
59.00280	0.5
59.01240	25.1
67.01750	0.9
70.99611	0.5
71.01237	37.2
72.01568	0.7
72.99158	4.2
73.02806	3.9
83.01231	1.6
85.02811	2.8
86.98518	1.2
87.00730	81.1
88.01077	1.0
93.03313	1.1
99.00745	1.2
101.02287	0.7
103.00204	0.5
112.98699	0.8
113.02277	1.3
113.04247	0.5
114.59231	0.6
115.00231	100.0
116.00580	1.6
127.00235	1.3
154.19986	0.6
157.01346	0.9
168.67776	0.5
175.02394	27.1
176.02759	0.7
182.48521	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56291	0.7
58.00455	0.7
59.01241	24.5
61.44439	0.7
62.75672	0.7
67.01740	1.0
71.01237	33.4
72.46375	0.8
72.99186	3.2
73.02814	3.6
73.81108	0.8
75.13229	0.7
75.23586	1.1
83.01270	1.0
85.02830	3.6
86.98687	1.2
87.00729	91.6
88.01071	1.1
101.02317	1.2
112.98681	1.3
113.02352	1.5
115.00232	100.0
121.52305	0.9
127.00288	1.1
131.77136	0.7
150.66083	0.8
157.01364	1.5
161.22687	1.0
175.02370	24.2
180.34982	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22150	0.4
59.01243	4.2
61.09221	0.4
71.04871	1.4
73.02818	0.7
85.06442	43.0
86.06779	0.6
87.00692	0.6
87.04371	1.3
93.03338	0.7
101.76388	0.4
105.29842	0.5
105.31074	0.4
113.02802	0.6
113.05948	39.8
114.06303	0.7
115.00588	1.1
115.03873	100.0
116.04185	2.1
129.05432	2.3
131.07027	7.8
150.20360	0.4
157.04967	10.4
175.06030	52.4
176.06442	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.9
59.01244	12.3
59.01516	1.0
65.00185	21.1
65.03825	2.6
65.07485	0.5
67.01749	12.6
68.99676	22.0
71.01241	1.4
71.39697	0.5
77.03823	8.4
81.03310	6.0
82.47236	0.5
84.64406	0.6
85.02798	0.7
87.87418	0.6
89.02308	0.8
89.03846	0.7
91.01739	1.4
92.99682	8.6
93.03314	17.9
95.04893	2.7
99.00740	1.0
101.02294	6.0
105.03308	3.0
115.03859	5.2
116.90687	0.6
121.02824	42.9
121.06075	0.8
122.03195	0.9
123.04417	1.6
129.01828	1.5
133.02863	3.6
133.06494	0.8
134.03593	1.1
136.07556	1.2
148.97392	1.2
149.02333	100.0
150.02672	2.8
162.03128	18.1
167.03403	12.9
171.21318	0.8
177.01845	38.9
177.05255	3.2
177.07591	2.3
177.09125	2.6
177.12663	0.7
193.01334	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	177.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03698	0.6
57.03310	2.1
57.43441	0.6
59.01229	3.9
59.01487	0.8
59.30962	0.7
59.56121	0.7
59.88537	0.8
62.28880	0.7
69.03322	1.0
71.01224	2.2
71.04862	1.6
73.02796	1.7
83.04778	0.8
87.04376	2.0
89.02356	0.9
100.99544	1.4
101.02303	100.0
115.00521	1.2
115.03873	96.2
119.03359	1.4
133.04955	1.9
138.33971	0.8
177.07597	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	178.9497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51546	0.2
53.74158	0.2
57.03307	0.3
59.01242	6.3
61.98700	0.5
62.52668	0.2
69.03300	0.4
71.01240	4.9
72.99161	0.3
73.02807	1.4
79.01750	0.2
83.01250	0.7
85.02809	2.2
87.00735	10.6
89.02299	1.8
95.01247	0.4
95.95092	0.6
96.95860	0.7
97.02818	0.8
99.00733	2.9
101.02317	1.8
101.02917	0.3
103.89490	0.2
107.04907	0.4
108.04427	0.2
109.02872	0.4
113.02306	1.0
117.01814	2.0
119.93538	1.2
121.02824	0.5
123.04333	0.3
125.02316	1.7
129.01802	0.3
134.95953	4.1
134.98755	0.7
135.04401	1.2
135.08037	0.3
136.93889	100.0
136.97978	1.3
137.02333	0.4
137.93967	3.7
141.01830	1.0
145.93921	0.2
146.03624	0.8
151.03891	0.6
151.07501	0.4
151.92610	16.2
152.92714	0.6
154.94960	1.0
159.02881	0.3
161.04462	7.1
161.05768	0.3
162.04733	0.2
164.01045	1.0
164.04695	0.7
173.30656	0.2
177.03941	0.4
178.87910	0.4
178.94978	41.2
178.97649	1.4
179.03317	1.4
179.05531	8.7
179.07014	1.0
179.95108	1.7
183.49051	0.2
191.53178	0.2
196.96075	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.6
57.03329	1.4
58.00491	0.5
58.93691	0.4
59.01242	11.6
59.95203	0.4
69.03348	1.9
71.01241	12.5
72.99192	0.6
73.02799	3.6
75.00728	0.5
78.95763	12.1
78.96193	0.9
83.01233	2.5
85.02814	6.1
87.00732	33.0
89.02293	4.0
95.01271	0.9
97.02814	3.3
97.90000	0.4
99.00735	8.6
101.02305	4.4
107.07564	0.5
108.15445	0.6
111.00784	0.7
113.02321	1.7
114.25902	0.5
117.01792	7.0
119.93600	1.5
125.02310	4.2
129.01813	1.1
134.95958	5.9
134.98730	0.6
135.04407	1.3
136.93887	100.0
136.98035	1.2
137.93980	2.8
141.01820	4.0
145.36887	0.5
151.92603	15.4
152.92737	0.6
157.67941	0.5
159.02885	2.0
161.04449	23.2
166.77641	0.5
177.03853	0.7
178.94945	44.9
179.01193	0.6
179.05533	28.3
179.95088	1.0
196.95924	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.15173	0.2
59.01243	3.1
61.41325	0.3
63.74568	0.2
69.03307	0.5
71.01242	3.3
73.02800	0.9
83.01230	0.5
85.02792	1.4
87.00731	6.4
89.02320	1.4
91.05385	0.5
91.73392	0.4
93.03342	0.4
95.01228	0.4
97.02818	0.5
97.52177	0.3
99.00732	1.6
101.02317	0.7
105.47827	0.3
106.04018	0.2
107.01246	0.6
107.04882	1.8
107.30020	0.2
108.02022	0.3
113.02313	0.5
115.32017	0.2
117.01821	1.3
117.03327	0.9
121.02845	0.7
123.04360	0.4
125.02298	1.2
134.03613	7.0
134.99849	0.8
135.04393	100.0
135.08478	1.1
136.04716	2.3
141.01793	0.9
146.03627	3.2
151.03958	0.3
159.02869	0.4
161.04463	4.2
161.05951	0.6
164.01021	0.3
164.04680	2.2
177.03993	0.2
178.99861	0.9
179.03416	16.9
179.05528	4.5
179.07034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
52.16825	0.1
54.11057	0.1
56.47828	0.1
57.03299	0.2
59.01243	2.6
69.03308	0.5
71.00876	0.2
71.01244	2.3
72.46825	0.1
73.02817	1.0
81.03329	0.2
83.01237	0.5
85.02808	2.0
87.00732	7.7
89.02273	0.9
89.03819	0.5
91.05387	0.5
91.46474	0.2
93.03323	0.2
96.95872	1.5
97.02791	0.6
99.00735	2.3
101.02316	1.1
106.04083	0.3
107.04890	2.4
108.02057	0.3
109.02844	0.2
111.00683	0.2
113.02290	0.6
117.01807	1.7
117.03315	0.7
123.04422	0.9
125.02287	1.4
125.03078	0.2
133.02824	0.3
134.03618	7.1
134.99945	1.0
135.04395	100.0
135.08224	1.0
136.04741	2.1
141.01814	0.5
146.03638	0.4
151.03925	1.0
159.02904	0.5
161.02409	0.2
161.04457	4.5
161.05812	0.3
164.01048	0.2
164.04729	0.5
172.53496	0.2
177.03926	0.4
179.03421	18.4
179.05524	6.1
180.03818	0.4
188.16663	0.2
189.17088	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	179.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.1
58.00449	0.4
59.01240	17.1
59.47893	0.3
59.48214	0.3
59.99644	0.3
68.99678	0.4
69.03316	1.7
70.99664	0.3
71.01238	15.8
72.99181	0.8
73.02811	3.7
74.75145	0.3
75.00742	0.8
83.01226	2.2
85.02802	7.0
86.98642	0.5
87.00732	31.9
89.02291	7.3
89.03832	0.5
91.01764	0.4
91.05396	0.5
91.72743	0.5
93.03330	0.8
95.01245	1.4
96.95853	0.9
97.02808	3.1
99.00735	9.8
101.02290	4.6
107.01243	2.0
107.04871	3.3
108.02051	0.9
109.02811	2.6
109.60868	0.3
111.00787	0.5
113.02327	2.6
117.01797	5.8
117.03331	1.0
119.03375	0.7
121.02840	1.1
122.03558	0.5
123.00753	0.5
123.04383	1.2
125.02307	5.3
129.01825	0.8
133.02907	0.6
134.03613	6.5
135.00404	1.2
135.04395	100.0
135.07930	1.2
136.04747	2.2
137.02319	0.7
141.01845	2.3
145.02812	0.7
146.02452	0.7
146.03615	13.5
147.04329	0.8
149.02304	0.4
151.00175	0.5
151.03909	2.1
159.02849	1.9
161.04462	19.8
161.05945	2.0
162.04811	0.4
163.03923	0.9
164.01025	1.7
164.04684	7.6
177.03984	1.3
178.02109	0.4
178.99829	3.0
179.03413	21.6
179.05521	23.5
179.07004	2.4
180.03798	0.6
180.05872	0.5
197.63785	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.2
59.01244	2.7
61.78838	0.2
69.03307	0.6
70.99963	0.1
71.01238	2.9
73.02805	1.0
81.03299	0.3
83.01229	0.7
85.02808	2.0
87.00732	10.0
89.02298	1.1
89.03811	0.6
90.13258	0.2
91.05383	0.5
91.73309	0.2
93.03304	0.4
96.95869	1.9
97.02834	0.8
99.00740	2.3
101.02312	1.3
106.04110	0.2
107.01261	0.3
107.04883	1.9
108.01953	0.2
109.02808	0.3
112.71737	0.1
113.02329	0.5
117.01801	1.8
117.03316	0.7
121.02831	0.2
123.00793	0.2
123.04430	1.0
125.02302	1.3
129.01787	0.2
130.18193	0.2
133.02867	0.2
134.03616	7.0
135.00119	1.2
135.04395	100.0
136.04738	1.9
136.93886	0.5
141.01767	0.8
146.03622	0.7
151.03889	1.1
159.02879	0.5
161.04459	5.8
161.05812	0.4
164.01038	0.3
164.04692	0.5
178.02763	0.2
179.03419	18.5
179.05519	7.3
180.03697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.1
58.00449	0.4
59.01240	17.1
59.47893	0.3
59.48214	0.3
59.99644	0.3
68.99678	0.4
69.03316	1.7
70.99664	0.3
71.01238	15.8
72.99181	0.8
73.02811	3.7
74.75145	0.3
75.00742	0.8
83.01226	2.2
85.02802	7.0
86.98642	0.5
87.00732	31.9
89.02291	7.3
89.03832	0.5
91.01764	0.4
91.05396	0.5
91.72743	0.5
93.03330	0.8
95.01245	1.4
96.95853	0.9
97.02808	3.1
99.00735	9.8
101.02290	4.6
107.01243	2.0
107.04871	3.3
108.02051	0.9
109.02811	2.6
109.60868	0.3
111.00787	0.5
113.02327	2.6
117.01797	5.8
117.03331	1.0
119.03375	0.7
121.02840	1.1
122.03558	0.5
123.00753	0.5
123.04383	1.2
125.02307	5.3
129.01825	0.8
133.02907	0.6
134.03613	6.5
135.00404	1.2
135.04395	100.0
135.07930	1.2
136.04747	2.2
137.02319	0.7
141.01845	2.3
145.02812	0.7
146.02452	0.7
146.03615	13.5
147.04329	0.8
149.02304	0.4
151.00175	0.5
151.03909	2.1
159.02849	1.9
161.04462	19.8
161.05945	2.0
162.04811	0.4
163.03923	0.9
164.01025	1.7
164.04684	7.6
177.03984	1.3
178.02109	0.4
178.99829	3.0
179.03413	21.6
179.05521	23.5
179.07004	2.4
180.03798	0.6
180.05872	0.5
197.63785	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.0
58.83680	0.6
59.00968	1.2
59.01244	14.8
65.03824	1.8
67.47970	0.7
67.58186	0.7
68.99659	2.1
69.03310	2.1
71.00877	0.9
71.01243	15.2
72.99149	0.9
73.02795	3.8
75.62337	0.7
81.03322	2.0
83.01228	2.1
85.02808	7.0
87.00735	35.2
89.02296	6.0
89.03826	0.8
91.01718	1.3
92.02510	1.5
93.03319	50.5
95.01226	2.3
95.04873	4.2
96.95873	5.5
97.02824	3.1
99.00732	10.4
101.02316	5.0
102.29576	0.7
105.03313	1.8
106.04076	1.0
107.01240	1.7
107.04901	8.2
108.02026	4.4
109.02808	2.4
113.02300	2.6
117.01795	6.8
117.03338	1.3
118.96387	0.8
121.02824	53.9
122.03616	1.8
123.00740	1.0
123.04388	21.1
124.04767	0.9
124.69795	0.7
125.02298	5.2
133.02835	6.7
134.03609	6.5
135.00410	1.3
135.04399	100.0
136.01544	1.0
136.04784	2.2
137.02338	1.4
141.01785	3.1
146.03638	5.5
149.02335	22.7
149.03525	1.2
150.03110	8.4
151.03903	17.0
159.02892	1.7
161.02321	3.0
161.04453	21.9
161.05809	1.5
164.01091	1.9
164.04718	2.1
177.01868	7.4
177.04062	0.8
178.02600	0.9
179.03426	43.3
179.05525	26.2
179.06950	2.0
180.03976	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01728	1.1
56.61451	1.1
56.66548	1.1
57.03317	1.5
57.04235	1.1
58.00451	2.0
59.01242	100.0
59.02419	2.5
69.03319	1.3
71.01238	79.1
71.04868	2.1
72.26556	1.2
72.99170	12.7
73.02811	12.7
73.16498	1.2
74.98816	1.5
75.00731	89.8
75.02411	1.7
78.95753	1.3
81.03320	4.8
83.01234	2.6
85.02815	12.9
87.00729	34.6
89.02296	45.3
90.84145	1.5
95.01228	2.2
97.02811	3.9
99.00743	12.0
101.02308	11.9
113.02303	9.8
115.68895	1.5
117.01807	5.2
119.03378	2.8
124.81017	1.3
125.02338	5.2
141.01775	2.1
141.91354	1.3
143.03410	8.5
150.07983	1.3
161.04443	24.8
172.82971	1.5
173.29848	1.3
179.05527	94.2
180.06001	2.5
182.81122	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65740	0.3
53.01970	0.3
56.84245	0.3
57.03304	0.4
59.01239	3.2
69.03314	0.5
71.01235	3.6
73.02799	1.4
81.03268	0.4
81.15315	0.4
83.01239	1.0
85.02816	2.2
87.00733	10.0
89.02292	1.2
91.05400	0.5
97.02802	0.8
99.00739	3.0
99.09035	0.4
101.02312	1.3
105.03311	0.4
107.01257	0.6
108.64602	0.3
113.02332	0.4
117.01804	2.2
117.03279	0.5
119.56352	0.3
120.71520	0.3
121.02850	1.0
125.02354	1.6
128.54309	0.4
130.83459	0.6
133.09917	0.4
135.04405	4.1
141.01804	0.7
145.02855	6.0
146.03616	100.0
146.08495	1.1
147.04410	6.2
149.06081	0.4
151.00243	0.6
159.02939	0.6
160.71104	0.4
161.04468	7.2
161.05981	16.0
162.06371	0.5
163.03899	2.9
164.04688	57.4
165.05006	1.5
177.04007	0.6
178.99770	0.4
179.03752	0.7
179.05521	9.1
179.07060	13.7
180.07394	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08863	0.4
59.01245	4.7
59.01786	0.4
69.03319	0.9
70.23537	0.5
71.01241	4.4
73.02790	2.2
83.01252	1.1
85.02804	4.1
87.00732	15.3
89.02292	2.0
93.03325	0.8
97.02805	1.6
99.00735	4.3
101.02305	1.8
103.05347	0.6
105.03351	0.6
107.01238	0.8
107.04928	1.1
109.71618	0.5
113.02299	1.3
113.09828	0.6
117.01808	3.5
117.03348	0.6
121.02830	3.9
125.02338	2.7
135.04398	12.1
137.71204	0.6
141.01799	1.3
145.02827	4.9
146.03619	100.0
147.04449	6.2
151.03923	1.0
159.02811	0.8
161.04460	9.7
161.05988	15.6
162.06375	0.6
163.03889	3.4
164.04688	58.2
165.05063	0.7
177.04008	0.8
179.03482	4.0
179.05522	12.1
179.07060	13.9
195.42068	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55667	1.3
59.01226	5.3
61.06223	1.2
61.95397	1.3
63.65392	1.5
65.03808	2.0
65.78343	1.2
66.03381	1.2
71.01236	4.4
81.03298	1.5
86.71105	1.4
87.00735	5.2
88.01077	3.6
89.02290	1.9
89.03826	1.8
91.05383	4.3
91.72700	2.6
94.02836	1.7
95.04903	2.7
99.00730	1.3
100.01105	1.7
105.03328	5.7
107.04879	8.1
109.02800	5.3
111.00758	3.0
117.03310	14.8
117.16623	1.4
119.04884	19.7
121.02848	3.7
122.03612	3.6
123.04387	5.2
124.01509	10.9
125.02313	3.2
133.02821	2.8
135.04402	8.3
136.04779	4.3
136.66699	1.4
137.02316	31.6
145.02829	25.3
151.03902	60.8
152.04489	1.6
161.02336	12.4
161.43213	1.7
162.03131	7.9
162.04794	3.4
163.02528	3.3
163.03905	70.0
178.68736	1.5
179.03415	50.1
179.93637	2.1
180.04199	100.0
180.05791	4.9
180.10309	2.2
181.04720	2.3
181.08606	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	181.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04047	0.3
50.64762	0.4
52.75047	0.4
56.54675	0.4
58.48669	0.4
59.01239	1.0
65.03828	1.4
68.63129	0.4
71.01241	1.6
73.02811	0.5
81.03316	6.3
89.02293	0.6
91.01733	2.0
93.03334	3.0
101.02296	0.5
108.02033	13.1
109.02817	73.6
109.05797	1.0
110.03181	1.6
119.01262	0.8
121.02773	0.4
121.05211	0.7
122.03584	0.6
122.05987	3.8
123.04423	1.0
125.02319	0.4
128.23331	0.5
134.03685	0.4
135.04411	1.0
136.01566	7.0
137.02324	100.0
137.06561	1.2
138.02672	2.3
149.04231	0.5
150.04338	0.6
150.05482	4.2
151.53348	0.5
153.01830	17.8
160.03970	1.2
163.03944	0.8
177.36311	0.8
179.86630	0.4
181.01346	15.6
181.05002	1.4
181.10551	0.5
186.81393	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96564	0.2
55.03437	0.2
59.01250	0.6
65.00181	1.9
65.85346	0.2
71.01244	0.4
80.49268	0.2
81.03302	0.2
85.02808	0.3
89.00194	0.7
89.02292	0.4
91.01801	0.2
93.03323	0.3
95.01238	3.5
95.04890	0.3
96.02034	0.7
97.02818	0.9
101.02310	0.4
105.03335	0.7
107.01290	0.3
109.02841	0.5
120.73092	0.2
121.02841	0.7
122.03612	0.6
123.00744	2.0
123.04359	0.2
124.01531	3.3
128.08568	0.2
137.02316	0.8
137.05997	0.6
138.03107	20.4
139.03905	6.0
149.99466	0.6
150.05476	0.3
151.00235	2.0
151.72696	0.2
152.79541	0.2
153.01756	0.3
163.03897	0.4
165.00528	0.3
165.01828	3.0
165.96475	0.8
166.02617	100.0
166.07909	1.1
167.02977	2.2
181.04977	67.5
181.10995	0.6
182.05296	1.7
183.02782	0.2
198.01590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0038
Annotation	2,4-DINITROPHENOL
Peak:m/z	Relative Intensity
51.87406	0.4
57.03299	0.6
59.01231	0.5
63.87274	0.3
67.01737	1.3
68.01255	0.4
68.99405	4.7
69.03310	1.3
74.77090	0.4
79.01714	0.7
81.03257	0.5
83.04874	1.9
86.45964	0.4
90.66090	0.3
91.73448	0.5
93.03239	0.4
95.01243	9.7
95.53976	0.4
96.73114	0.4
97.02805	1.3
109.01569	4.7
109.06446	0.6
111.04372	1.2
112.03905	0.9
112.98421	7.4
121.06476	2.8
123.00746	20.1
123.04399	1.3
125.01056	1.5
129.94839	0.4
137.01074	4.1
139.07497	1.3
139.11157	0.6
140.07089	1.9
153.00572	18.6
153.01843	0.9
165.05530	0.6
168.00548	0.5
183.00391	100.0
183.06549	4.6
183.10103	2.1
184.00803	1.9
184.06093	1.7
188.74110	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.029
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
52.94646	0.4
55.68794	0.4
58.81887	0.4
59.01229	0.5
65.00204	0.5
67.01750	0.7
69.03285	0.5
71.01237	0.7
72.99154	0.6
73.04339	0.4
78.00961	0.5
79.27860	0.4
79.71605	0.5
82.00451	1.1
83.01227	0.9
83.04875	1.4
85.99952	0.5
97.02801	1.5
103.85199	0.4
109.99972	0.7
111.00735	6.7
121.06450	1.7
123.00748	1.7
124.01532	25.6
127.00263	2.6
127.32864	0.4
136.98703	4.3
138.03094	1.3
139.00246	7.6
139.03879	0.7
139.07536	2.2
140.01035	10.2
141.05367	0.6
149.82272	0.6
154.99829	0.9
165.01790	0.8
165.05495	0.5
168.00540	14.5
168.04231	1.0
183.02911	100.0
184.03264	2.6
184.06136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1017
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
57.03329	22.4
67.05403	11.1
68.99432	43.9
83.04896	6.2
89.32805	4.5
93.06955	8.1
112.98418	64.4
121.06483	15.4
139.22385	5.9
140.07040	5.2
159.89682	5.8
183.06555	14.1
183.10196	100.0
183.11754	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	183.1018
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
50.34372	0.6
54.58073	0.7
57.03313	1.6
58.02833	0.8
58.27297	0.7
59.01231	2.6
69.03304	2.0
70.02789	0.7
81.03305	1.5
83.01245	1.0
83.04887	4.7
84.04372	1.2
85.02824	0.8
94.02836	1.9
95.04852	1.0
96.04360	1.3
97.02810	1.7
97.06393	0.7
98.02348	0.8
109.02788	1.0
109.06488	1.3
111.00714	1.8
111.04379	2.7
112.03878	2.4
113.05951	7.4
121.06460	8.2
122.03540	0.8
123.04382	2.6
124.01556	1.5
124.03895	1.8
124.05148	1.0
127.17690	1.0
137.02333	1.0
137.09651	2.7
138.46346	0.8
139.03868	1.5
139.07549	5.6
139.11215	4.3
140.07054	6.6
153.77817	0.8
154.05009	1.5
160.59210	0.9
165.05457	1.6
165.09082	7.4
168.00584	2.4
183.02977	2.0
183.04970	1.8
183.06612	13.9
183.10181	100.0
184.06059	3.6
184.10585	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1018
Annotation	Crocusatin B
Peak:m/z	Relative Intensity
51.21348	0.3
57.03316	1.1
58.70305	0.3
67.61019	0.2
68.99434	10.1
69.03311	3.9
77.19651	0.3
80.02544	0.4
83.04884	5.0
85.06442	7.2
88.93956	0.3
93.03336	0.3
95.04874	1.7
97.02808	0.4
97.06454	8.8
97.07085	0.5
101.02268	0.6
111.04358	0.5
111.08036	1.3
112.98426	15.3
121.06454	1.3
121.10070	0.5
123.08034	4.4
137.09540	1.4
137.77348	0.3
139.11169	100.0
139.15817	0.8
140.07047	1.1
140.11507	1.9
156.26207	0.3
165.05432	0.6
165.09103	0.8
168.00470	0.4
170.36253	0.3
183.06491	2.1
183.10185	5.5
183.13831	0.6
184.06061	0.7
185.52188	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1018
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
54.12532	1.5
54.63426	1.3
57.03308	3.6
57.46698	1.3
59.55034	1.5
59.98391	3.4
67.01749	1.7
68.99428	43.0
69.03305	3.6
70.45222	1.7
71.04881	4.3
72.04471	1.5
74.20279	1.5
81.03304	3.3
83.04892	12.2
87.84869	1.4
91.78986	1.6
95.15572	1.6
98.03603	4.2
99.04369	16.5
112.98425	53.2
114.85999	1.8
121.06436	3.8
121.10104	4.1
124.83713	2.0
137.09605	6.3
139.03896	2.1
139.07530	2.9
139.11143	11.6
143.61066	1.8
168.00533	2.8
183.02992	2.7
183.06590	6.8
183.10182	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1018
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
57.03316	2.4
59.01239	3.2
68.99429	59.3
69.03312	3.0
70.02837	1.6
71.01236	1.4
75.10710	1.1
76.90729	1.1
80.49081	1.1
81.03316	3.3
81.06963	1.3
83.04878	8.3
84.04404	1.7
85.02769	1.3
85.06423	1.1
93.03326	1.8
94.02855	2.0
95.04896	2.4
96.04410	3.7
97.02814	3.2
98.05949	1.2
99.04396	1.8
101.02348	1.3
102.59626	1.1
109.02805	1.8
109.06438	1.5
111.04396	4.7
111.08030	2.6
111.68863	1.2
112.03926	2.8
112.98423	100.0
113.98773	1.9
121.06475	10.1
121.10086	6.0
123.04393	2.8
124.01527	3.8
124.03938	2.6
125.02322	2.1
125.04631	1.5
127.03764	1.1
137.05937	1.6
137.09622	1.7
139.07509	5.7
139.11124	6.5
140.07045	8.6
143.45299	1.3
147.08057	1.1
153.09088	1.9
160.65237	1.1
165.05470	1.9
165.09097	2.1
168.00565	2.8
183.02847	3.5
183.06543	16.7
183.07922	1.3
183.10172	22.1
184.06171	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	183.1018
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
50.53828	0.5
57.03316	6.3
59.01227	0.6
60.84090	0.5
61.89801	0.5
64.52319	0.5
68.63035	0.5
68.99428	2.7
69.03292	0.8
77.58431	0.5
80.46204	0.5
81.03327	0.7
83.04884	1.3
92.55540	0.6
101.52074	0.6
105.06974	1.1
110.98956	1.3
111.04373	0.7
112.98429	3.5
115.75821	0.5
120.80892	0.6
121.06425	1.9
123.04423	0.6
123.08024	9.4
124.01521	1.1
125.05955	37.6
126.06270	0.6
138.03120	0.9
139.03902	0.8
139.07539	1.4
140.07085	0.7
142.04904	0.6
152.77127	0.6
168.00555	0.8
183.06644	2.1
183.10187	100.0
184.10561	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	185.0082
Annotation	3-Carboxy-cis,cis-muconate
Peak:m/z	Relative Intensity
53.08900	0.6
55.01733	1.3
57.03300	3.0
59.01236	1.5
62.91249	0.8
67.01746	19.8
68.99682	8.0
69.02953	1.6
69.03312	25.5
71.01231	5.7
72.99145	0.8
77.24190	0.8
78.95739	2.0
79.01726	1.1
83.01227	5.3
83.04873	0.8
85.02802	19.2
95.01241	100.0
96.01562	2.0
96.96838	1.2
97.02805	10.7
99.00740	5.9
104.40709	0.9
108.02003	1.3
109.02809	9.2
111.00739	18.4
113.02296	13.6
118.20685	1.0
123.00745	89.4
123.04461	1.7
123.08077	1.4
124.01569	8.9
125.02265	1.7
139.00247	28.7
139.01317	1.8
140.00996	2.8
141.01816	31.8
141.05447	2.4
141.09065	1.4
153.01811	4.9
166.99762	80.9
168.00351	1.8
185.00845	24.2
185.06021	1.4
185.07994	0.9
185.11760	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	185.0811
Annotation	cis-2-Carboxycyclohexyl-acetic acid
Peak:m/z	Relative Intensity
57.03309	0.7
57.12675	0.4
59.01235	0.8
61.44588	0.5
69.03320	0.5
71.01241	6.4
78.67213	0.5
78.95757	0.5
83.04896	0.6
84.02016	0.8
91.72740	0.8
95.04891	0.8
96.96810	0.9
97.02776	0.6
97.06430	0.7
97.31357	0.5
99.04366	3.1
113.02287	0.8
123.04454	0.9
123.08035	6.9
125.05940	1.0
139.07533	0.6
141.09096	100.0
142.09491	1.2
159.54401	0.6
167.07054	10.6
167.08437	0.9
185.08110	69.3
185.15340	0.7
186.08475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1175
Annotation	2-Oxodecanoic acid
Peak:m/z	Relative Intensity
59.01262	1.8
69.03336	2.1
69.11865	0.5
71.01244	0.7
71.04900	0.9
72.99165	48.2
78.05370	0.6
79.01939	0.5
83.04881	1.1
85.06472	2.3
91.00078	0.5
95.04915	0.8
97.02859	0.6
97.06462	1.7
99.08032	2.2
100.03914	0.9
105.51182	0.6
111.04375	0.6
113.02360	0.7
121.10155	1.0
123.04448	0.8
125.02312	1.2
130.71146	0.6
137.09616	1.0
139.11168	48.5
139.15477	0.6
140.11551	1.1
140.89549	1.2
141.05440	1.2
141.07396	1.2
141.09117	1.7
141.12737	2.3
152.69370	0.8
163.68980	0.6
167.03429	0.9
167.10678	100.0
168.11009	2.1
184.98407	0.6
185.04390	1.2
185.06021	3.0
185.08209	1.6
185.11748	72.6
186.07655	1.6
186.12157	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1174
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
51.51356	0.4
54.51533	0.4
57.03311	0.7
59.01231	2.9
61.75355	0.5
64.25229	0.5
65.63859	0.4
81.06960	2.7
85.02789	3.9
97.06451	1.1
105.31021	0.6
107.04857	0.6
114.04237	0.5
123.08023	0.6
137.09572	1.5
139.11139	2.6
140.01430	0.6
149.09583	2.9
155.10652	6.6
167.10657	8.9
183.10222	1.4
185.04636	1.1
185.06090	1.2
185.11746	100.0
186.12070	2.4
189.81001	0.6
191.84360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1175
Annotation	Epomediol
Peak:m/z	Relative Intensity
57.03313	1.8
59.01245	14.8
69.03302	2.8
71.01238	2.5
71.04875	24.8
78.95770	1.6
80.40838	1.3
81.91801	1.5
83.04876	1.3
85.02776	1.7
85.06429	6.0
91.72693	2.1
96.52097	1.4
96.96836	2.2
97.02792	1.7
97.06441	5.2
99.00704	1.4
111.04322	1.6
113.02291	3.0
113.05945	54.8
118.34653	1.3
123.04372	2.5
123.07989	1.6
125.02310	2.4
132.22311	1.3
139.03946	1.8
139.11128	4.6
141.05458	2.9
141.07310	1.6
141.09077	5.2
167.10677	8.8
185.04517	2.6
185.06062	6.4
185.08174	3.5
185.11749	100.0
186.07690	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	186.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57927	0.5
57.03286	0.6
58.02833	2.5
59.01230	2.2
61.03058	0.6
65.52041	0.6
66.95393	0.7
69.03317	0.8
71.01227	1.7
72.04412	4.2
72.99153	0.7
73.02778	0.9
78.95757	0.7
81.03304	3.2
82.02830	1.1
83.01199	1.5
83.04869	5.1
84.04406	15.1
85.02796	3.0
87.00716	0.9
93.03311	11.2
95.04179	0.7
96.04388	1.3
96.96819	1.7
97.02802	1.2
98.02310	0.7
98.05952	3.5
99.00777	0.8
99.03104	1.6
99.04366	7.7
100.03902	28.9
101.02311	1.1
101.04224	0.7
107.04893	8.3
109.02882	0.7
111.04392	4.5
111.05016	0.7
111.80248	0.7
112.03916	1.4
113.02283	1.2
114.05463	2.0
114.09109	7.5
115.03870	1.2
124.07577	1.3
125.02312	13.4
125.05949	9.9
126.05495	1.2
137.02304	2.1
140.07013	3.4
142.03294	0.8
142.04964	7.5
142.08615	14.2
143.03368	2.0
143.07007	1.4
144.06535	1.8
168.06581	4.6
169.04941	2.6
186.07632	100.0
187.02429	2.6
187.06047	5.9
187.07932	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	186.1127
Annotation	8-Amino-7-oxopelargonic acid
Peak:m/z	Relative Intensity
50.19152	0.6
51.96255	0.6
57.03294	2.3
58.02832	1.6
59.01223	1.1
73.31835	0.8
73.86877	0.8
85.90106	0.8
89.34344	0.8
97.06443	11.4
123.08043	4.8
125.09590	100.0
125.13535	1.1
126.09953	1.0
142.12263	6.4
168.10179	3.9
169.08632	1.2
186.11267	94.3
187.09630	1.7
187.11502	1.7
209.71600	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0968
Annotation	Nonanedioic acid
Peak:m/z	Relative Intensity
57.03319	3.1
67.85338	0.1
69.03309	0.4
71.04873	0.3
80.02546	0.2
83.04878	0.6
83.36079	0.2
85.77647	0.1
95.04876	0.8
95.39307	0.1
97.06448	13.0
98.06772	0.2
104.27174	0.2
111.69723	0.2
123.08031	6.0
125.05744	1.1
125.09592	100.0
125.12927	1.0
126.09924	2.2
143.10657	1.9
169.08623	2.7
187.02574	0.4
187.09680	48.5
188.10023	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1331
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
52.60139	0.3
59.01238	2.4
71.01225	0.6
81.03302	0.4
83.04864	1.5
93.03315	3.3
97.06440	1.3
107.04843	0.4
111.04374	1.7
115.03886	0.4
123.08061	0.4
125.05912	0.9
125.09583	2.9
137.02272	0.7
141.11725	0.6
141.12738	7.4
141.86710	0.9
143.07037	0.5
155.03493	0.4
159.04433	0.8
169.05017	0.7
169.12178	2.0
185.11780	1.0
187.04073	0.7
187.06134	2.1
187.09897	2.4
187.13313	100.0
188.13680	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	189.0032
Annotation	Oxalosuccinate
Peak:m/z	Relative Intensity
50.71469	0.6
55.01744	5.5
56.29713	0.7
57.03310	7.0
59.01230	1.4
69.03349	1.0
71.01243	2.5
72.99192	0.9
73.02802	36.5
78.57365	0.7
82.99218	1.0
83.01237	64.7
83.04899	0.9
85.02811	0.9
85.53772	0.8
86.88821	0.8
87.00710	0.8
96.94862	0.8
99.00732	17.5
101.02319	1.9
109.06422	1.1
113.87102	0.8
116.73168	0.8
122.20547	0.8
126.96478	1.3
127.00240	100.0
128.00555	1.0
129.05479	1.3
189.00323	16.5
189.01894	1.2
189.05577	1.0
189.07661	5.4
205.93468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.076
Annotation	Diethylene glycol diacetate
Peak:m/z	Relative Intensity
57.03313	7.4
57.99192	0.6
59.01239	4.4
60.99162	1.5
63.27342	0.5
67.01743	2.0
69.03313	20.0
69.03690	1.2
71.01243	3.7
81.03319	1.2
83.04877	17.2
85.02806	25.3
87.00727	2.6
91.05358	3.2
99.04389	3.2
101.02309	8.8
101.05924	3.1
104.09244	0.6
109.06451	42.2
110.06758	1.2
111.04376	3.3
111.48695	0.6
113.01527	0.9
113.02297	6.9
125.05952	7.0
127.00240	0.7
127.03860	1.6
127.07478	0.7
131.03387	1.9
138.37231	0.7
145.04930	2.0
147.75412	0.7
151.39952	0.6
153.05431	1.5
171.02856	1.0
189.04001	2.7
189.07603	100.0
190.07933	2.5
200.43059	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.9497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97947	0.2
55.30764	0.2
57.03319	5.1
59.01241	0.8
67.01745	2.3
85.00665	0.4
85.02808	28.8
86.03155	0.5
86.98506	0.7
87.00733	46.2
88.01075	0.6
91.73410	0.6
93.03319	0.3
100.31592	0.3
101.02292	0.8
110.97490	1.2
111.00744	100.0
111.03555	1.0
112.01075	2.0
129.01811	5.9
130.99744	1.1
135.07893	0.3
135.98898	0.3
143.94794	0.3
146.49968	0.6
147.02904	0.7
154.99760	0.8
173.00827	2.5
191.01901	11.7
191.05557	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	191.019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07421	0.3
52.23770	0.3
56.22035	0.3
57.03319	4.9
58.25999	0.4
59.01242	3.7
67.01740	2.7
69.03310	0.5
71.01235	1.5
71.26352	0.3
72.99153	0.5
73.02804	1.3
81.03323	1.2
83.04887	1.1
85.02804	44.3
85.04851	0.7
86.03145	0.6
86.98374	0.6
87.00732	47.0
87.02850	0.6
88.01053	0.4
93.03310	7.5
99.04386	0.9
101.02322	0.7
107.95692	0.4
109.02816	2.0
111.00742	80.8
111.04427	2.2
112.01091	1.7
127.03898	4.0
129.01817	5.7
130.99763	0.8
137.02370	0.4
139.58247	0.5
147.02914	0.7
151.44977	0.4
154.99796	0.7
155.03401	0.4
171.02885	1.2
173.00780	2.3
173.04466	1.7
191.01938	10.7
191.05537	100.0
191.12428	0.9
192.05862	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	191.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	4.8
59.01242	3.9
59.37923	0.7
67.01747	2.8
71.01244	1.9
73.02824	1.1
81.03330	1.0
82.44339	0.5
83.04890	0.7
84.20725	0.5
85.00671	0.8
85.02805	45.7
86.03138	0.9
86.98582	0.8
87.00732	45.7
93.03323	5.5
94.03569	0.6
99.04377	1.1
101.02280	0.9
109.02810	1.4
110.97641	1.2
111.00742	88.1
111.04375	2.7
112.01067	2.2
121.54218	0.5
127.03882	4.7
129.01811	4.9
130.99718	0.9
139.58220	0.7
155.03398	0.8
171.02904	1.4
173.00847	1.6
173.04430	1.7
191.01939	10.8
191.05537	100.0
192.05945	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	191.0553
Annotation	Quinic acid
Peak:m/z	Relative Intensity
50.41536	0.2
56.49089	0.2
57.03310	0.9
57.33706	0.2
59.01243	2.9
67.01754	1.0
69.03313	0.3
71.01221	1.5
73.02803	0.9
81.03310	0.8
83.04877	1.0
85.00748	0.4
85.02806	23.1
85.85103	0.2
86.03150	0.3
87.00735	10.3
87.01256	0.6
92.13191	0.3
93.03316	6.5
99.00710	0.4
99.04379	0.9
101.02271	0.4
101.05959	0.7
109.02807	1.7
111.00739	12.4
111.04373	2.3
113.02328	0.3
115.03876	0.4
127.03881	4.4
129.01817	1.0
129.05444	0.4
133.27594	0.3
137.02267	0.4
139.91992	0.3
171.02879	1.4
173.00891	0.3
173.04437	1.9
190.98482	1.1
191.05537	100.0
192.05876	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	191.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12271	0.3
57.03303	0.6
59.01237	3.1
67.01738	1.0
71.01237	1.4
71.66057	0.3
73.02815	0.7
81.03302	0.9
83.04847	0.9
85.02804	23.2
87.00727	5.7
93.03310	7.0
99.04388	0.9
100.17161	0.4
102.79513	0.4
109.02790	2.2
111.00746	4.3
111.04365	2.5
127.03874	5.0
130.26938	0.4
153.01735	0.4
155.03442	0.5
171.02893	1.5
173.04445	2.2
190.98294	1.1
191.05534	100.0
192.05893	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	191.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.9
59.01238	3.0
60.45086	0.4
61.21227	0.4
67.01735	1.9
68.93780	0.5
69.03326	0.5
71.01225	1.5
72.99135	0.5
73.02798	1.2
79.00147	0.4
80.60598	0.4
81.03300	0.6
85.00573	0.5
85.02805	32.6
87.00731	28.2
87.02792	0.5
93.03318	7.5
99.04375	0.9
101.02333	0.6
109.02811	2.4
110.97454	0.7
111.00739	47.6
111.03695	1.0
111.04322	2.3
112.01096	0.6
117.17346	0.5
127.03869	4.5
129.01779	2.7
130.99686	0.7
171.02876	1.5
173.00850	1.3
173.04428	1.7
191.01953	5.8
191.05534	100.0
192.05809	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	191.0551
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03309	0.8
59.01241	2.3
61.07210	0.4
67.01749	0.9
69.03320	0.6
71.01228	1.5
73.02790	0.6
80.10223	0.3
81.03323	1.0
83.04891	0.7
83.88278	0.4
85.00558	0.5
85.02805	21.9
86.03125	0.5
86.05084	0.4
86.82374	0.4
87.00740	4.8
92.45227	0.3
93.03316	7.2
99.04356	1.0
102.94172	0.4
109.02800	1.8
111.00724	2.3
111.04350	2.0
116.93584	0.4
127.03889	5.2
146.64221	0.4
154.42140	0.4
155.03375	0.5
171.02861	1.4
173.04445	2.2
191.05537	100.0
191.12184	1.1
192.05888	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	191.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	5.7
59.01241	2.5
63.30814	0.3
67.01746	3.3
69.03320	0.5
69.30438	0.4
71.01241	1.2
72.99168	0.5
73.02802	1.0
79.09072	0.3
81.03320	0.4
81.95846	0.3
83.04858	0.5
85.00614	0.5
85.02807	43.4
85.04778	0.7
86.03147	0.6
86.98471	0.6
87.00732	53.9
87.02783	0.8
88.01070	0.4
93.03317	4.8
99.04391	0.9
101.02317	1.0
103.03851	0.4
105.13445	0.3
109.02818	1.2
110.97417	0.9
111.00744	100.0
111.03635	1.2
111.04420	1.2
112.01065	2.1
127.03884	2.9
129.01817	6.2
130.99718	0.8
140.89439	0.4
147.02814	0.5
151.35277	0.4
154.99770	0.9
155.03432	0.4
171.02872	1.0
173.00876	2.2
173.04482	0.8
188.35080	0.3
191.01912	11.8
191.05537	58.7
192.05885	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0553
Annotation	Quinic acid
Peak:m/z	Relative Intensity
52.84303	0.6
57.03311	1.1
57.49387	0.7
59.01236	3.5
67.01752	1.2
67.05386	2.1
69.03302	1.6
71.01229	1.1
71.04871	0.8
72.99168	11.6
83.04869	0.9
85.02805	17.8
85.06443	5.9
87.00730	5.8
87.04366	1.5
93.03304	4.8
99.04373	2.4
101.02296	3.3
101.03001	0.9
101.05941	83.1
102.06276	0.8
109.02798	1.5
110.12835	0.8
111.00735	6.8
111.04390	3.9
115.03875	29.9
117.05407	0.8
120.74129	0.8
125.50605	0.8
127.03900	3.2
129.01772	0.9
129.05449	26.9
138.99655	0.9
145.04951	7.0
147.06485	1.2
166.42690	0.8
173.04456	2.2
191.05539	100.0
192.05934	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	193.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26400	0.3
54.29455	0.2
55.01736	0.3
56.02228	0.3
57.03316	0.8
58.00461	0.4
59.01239	5.6
65.44029	0.3
69.03321	2.9
71.00875	0.5
71.01244	7.6
72.99166	1.0
73.02804	9.7
79.01731	0.3
81.03308	1.4
83.01250	3.6
84.02055	0.5
85.02808	9.5
85.99941	1.1
86.77306	0.3
87.00731	6.7
89.02307	0.5
93.03316	1.1
95.01231	1.8
97.02812	5.0
99.00739	8.0
100.08484	0.3
101.02306	10.1
101.05949	1.0
104.88343	0.4
107.04900	0.9
108.02036	1.8
111.00748	0.8
112.01527	1.0
113.02299	2.2
115.03857	0.8
117.01772	0.5
121.02814	1.6
122.03621	0.9
122.24313	0.4
123.00758	1.6
125.02309	5.1
127.03880	0.7
132.02066	0.4
133.02806	0.5
134.03615	2.3
135.04425	1.6
136.05206	0.8
137.02287	0.6
139.03969	0.3
140.01042	1.3
141.01793	2.9
142.02577	0.7
143.03342	0.4
149.02310	3.5
149.09636	0.4
150.03131	5.5
155.03401	2.2
159.02917	0.8
160.01521	0.5
161.02449	2.4
161.04454	17.8
175.11183	1.1
177.00290	0.6
177.01851	14.0
177.96101	0.9
178.02628	100.0
179.02927	2.1
191.05490	0.5
192.40225	0.3
193.04997	23.8
193.07089	10.1
193.12244	2.7
194.05231	0.6
194.07512	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.0
59.01238	4.3
64.87006	0.4
69.03315	2.2
71.01238	5.3
72.99163	1.1
73.02802	7.1
81.03300	1.1
83.01229	3.3
85.02806	8.5
85.99941	1.2
87.00733	5.1
89.02296	0.5
91.73392	0.5
93.03302	1.3
95.01248	1.8
95.84315	0.5
97.02816	3.4
99.00739	5.5
99.07983	0.7
101.02301	8.1
101.05939	1.8
104.54264	0.7
106.04122	1.0
107.04884	3.0
108.02016	0.5
111.00757	1.0
112.01597	0.7
113.02297	1.2
117.01826	0.4
119.04876	1.0
121.02827	3.8
123.00723	0.7
124.01497	0.5
125.02317	3.7
133.02831	6.0
134.03612	100.0
134.07802	1.0
135.04486	3.3
136.05171	1.2
137.02318	10.5
139.03883	4.4
140.01012	1.1
141.01796	2.4
143.03398	0.5
149.02388	2.3
149.05969	18.3
149.07158	1.0
150.03139	1.7
155.03418	1.9
159.02904	0.6
161.04453	13.8
165.01837	0.5
175.11168	3.1
178.02628	56.1
179.02980	0.9
191.05574	0.6
193.01413	1.0
193.05008	24.1
193.07079	6.8
193.12230	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.4
59.01245	1.8
69.03327	1.1
71.01240	2.6
72.99174	0.3
73.02806	3.1
75.34328	0.2
83.01245	1.0
85.02814	3.7
85.99960	0.6
86.69719	0.2
87.00735	2.3
89.03846	0.6
93.03321	0.9
95.01244	0.5
96.06126	0.2
97.02824	1.7
99.00739	2.7
101.02308	3.9
104.54264	0.4
106.04099	1.5
109.02862	0.2
111.00754	0.6
113.02296	0.6
117.03362	0.5
121.02828	2.0
123.00770	0.4
125.02289	1.5
133.02837	6.6
133.99838	1.1
134.03613	100.0
134.07982	1.0
135.03932	1.9
137.02319	11.3
139.03885	4.1
140.00961	0.3
141.01819	1.2
149.02370	0.5
149.05971	17.7
149.10995	0.2
150.03087	1.2
150.06316	0.5
155.03397	0.6
159.02838	0.3
161.04453	5.6
165.01761	0.4
178.02631	54.0
179.02968	1.3
191.05554	0.3
193.04996	23.6
193.07053	3.0
193.12378	0.3
194.05334	0.7
204.99104	0.2
206.72185	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	193.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	4.2
57.03314	4.3
58.00468	2.5
59.01242	26.6
67.62055	1.3
68.36691	1.3
69.03311	15.3
71.01241	35.9
72.99171	4.8
73.02804	44.4
73.66487	1.2
75.00720	2.1
75.45271	1.2
78.03606	1.3
79.01746	2.0
81.03312	4.9
83.01243	21.1
83.01705	2.3
85.02294	3.2
85.02805	52.8
85.99950	5.8
87.00729	37.3
89.01152	2.0
89.02316	2.8
95.01232	7.9
97.02802	27.3
99.00736	43.2
99.01356	2.6
101.02304	55.2
101.02958	3.2
107.01312	1.9
111.00764	4.9
112.01544	3.4
112.77431	1.4
113.01196	2.0
113.01608	1.5
113.02301	13.0
115.03936	2.6
117.01780	3.4
121.25291	1.5
123.00744	3.9
124.01482	1.6
125.02308	22.5
129.01753	1.9
131.03386	1.9
140.01042	6.5
140.25000	1.4
141.01797	17.8
142.02646	2.9
143.03427	2.4
155.03409	10.1
159.02924	3.6
161.04454	100.0
162.04843	4.0
175.06087	3.3
193.07156	49.4
194.07608	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	193.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57295	1.0
55.01743	4.2
55.23317	1.2
55.34044	1.0
57.03309	3.4
58.00454	3.4
59.01241	36.4
69.03309	14.1
71.01238	36.7
72.99155	6.5
73.02804	49.7
74.13905	1.1
75.00730	4.0
79.01768	2.0
81.03312	5.9
82.83590	1.1
83.01238	20.6
85.02803	53.1
85.04977	1.6
85.99954	7.9
87.00729	39.0
89.02309	4.0
90.75333	1.2
93.03316	9.1
95.01248	9.9
97.02805	26.5
99.00085	2.3
99.00735	44.2
99.04366	1.8
101.02305	59.3
107.04893	2.2
109.30965	1.2
111.00736	4.0
112.01539	5.6
113.02298	11.5
115.03909	2.5
117.01831	3.1
121.02846	1.6
123.00769	3.8
124.01578	1.5
125.02312	19.7
127.03883	3.3
129.01819	2.6
131.04895	2.4
133.02811	8.6
140.01027	5.4
141.01811	20.3
142.02631	3.1
147.04414	5.1
149.05981	9.6
155.03397	12.1
159.02863	3.1
161.04445	100.0
162.04810	3.0
165.05443	2.6
175.06010	2.5
191.05655	3.1
193.05492	2.3
193.07146	53.4
194.07454	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	193.1225
Annotation	1alpha-Hydroxyisoondetianone
Peak:m/z	Relative Intensity
50.26189	1.2
52.55304	1.3
56.47591	1.4
59.01228	2.8
68.85139	1.3
70.31863	1.3
71.01216	2.7
73.02790	3.0
81.03294	3.9
83.01239	1.9
84.57454	1.7
85.02788	5.1
87.00734	3.0
95.52605	1.7
97.02814	1.6
99.00736	4.7
99.07983	4.6
101.02288	6.4
101.05938	26.5
107.04890	40.0
119.04879	6.6
120.05677	3.4
125.02331	1.7
132.61723	1.6
134.03610	4.1
135.04398	54.5
136.05206	20.4
147.11717	2.2
160.08740	3.1
161.04448	8.4
163.11188	8.3
165.12695	5.7
173.09619	4.1
175.09787	3.0
175.11198	45.9
176.11577	3.1
178.02667	2.8
178.09825	2.3
193.07144	3.4
193.12260	100.0
194.12584	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	195.0291
Annotation	1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one
Peak:m/z	Relative Intensity
50.92847	0.1
52.01018	0.1
55.95973	0.1
59.01226	0.4
62.42595	0.1
66.03339	0.2
69.03304	0.2
81.03308	0.2
85.02814	0.3
92.02538	1.0
93.03296	0.4
95.01247	0.8
97.02791	0.3
107.04900	0.4
108.02029	6.8
109.02786	0.7
121.02799	1.0
122.03599	0.5
123.00748	0.3
123.04386	0.7
125.02327	0.3
133.40106	0.2
136.01537	100.0
136.05875	1.1
137.01805	1.6
144.09514	0.1
149.02390	0.2
149.05978	0.2
150.03152	1.5
151.00369	0.2
151.03897	9.1
151.07573	0.3
151.08803	0.2
153.01826	0.2
162.03152	0.3
165.05463	0.7
178.49960	0.1
180.00560	5.7
180.04176	2.3
195.02917	25.5
195.06425	1.2
195.10162	0.3
196.03210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	4.8
57.66488	1.1
59.00967	2.2
59.01241	25.7
60.01573	1.2
67.02448	1.2
71.01236	15.5
72.06996	1.4
72.99162	10.0
73.02791	2.8
74.98993	2.0
75.00729	100.0
78.95750	4.1
83.01250	2.5
85.02797	12.7
87.00206	1.9
87.00728	32.1
89.02306	10.4
94.02826	2.3
96.96828	9.2
97.33400	1.3
99.00739	18.1
101.02303	3.8
105.01798	31.6
111.00720	5.5
113.72768	1.3
123.04366	1.3
128.16457	1.4
129.01814	39.6
136.57896	1.4
141.01794	4.2
147.02869	11.3
159.02878	9.8
163.05022	2.1
177.03964	18.2
195.05026	97.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.05
Annotation	D-Galactonate
Peak:m/z	Relative Intensity
57.03318	3.9
58.00461	0.8
59.01243	24.6
60.01574	0.8
61.01650	0.5
63.62536	0.6
68.02332	0.5
68.99680	1.3
69.03335	0.7
71.01239	13.8
72.99162	6.7
73.01670	0.6
73.02805	2.3
74.98994	1.6
75.00732	100.0
75.02285	1.0
75.03214	0.6
76.01061	0.6
77.02189	0.5
78.95763	21.7
79.95586	0.8
80.51060	0.6
82.56857	0.6
83.01251	2.5
85.01651	0.6
85.02807	11.9
85.03310	0.9
86.03143	1.2
87.00732	23.8
87.03196	0.6
88.01080	1.3
89.01138	0.9
89.02292	10.4
96.94242	0.7
96.95874	35.2
96.96829	40.3
97.02802	1.3
99.00738	13.3
100.01054	0.6
101.01192	0.9
101.02300	4.5
102.02662	1.1
103.02744	1.3
105.01797	16.6
111.00755	3.3
112.42834	0.6
113.02309	0.9
117.01798	0.7
121.02827	1.4
122.03590	0.9
122.30052	0.5
125.02341	0.6
129.01813	37.6
131.03394	0.9
141.01807	3.5
144.03001	0.6
144.59563	0.5
147.02878	6.2
149.04463	1.1
150.03096	1.8
159.02902	10.3
160.03218	0.7
162.04738	0.9
163.04887	2.9
165.03937	0.6
165.05452	1.6
176.93483	1.0
177.03947	9.7
178.69989	0.7
180.04211	3.7
194.97748	1.1
195.05026	80.7
196.05424	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	195.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47746	1.1
50.71528	1.1
52.91955	1.0
58.81292	1.1
58.86751	1.1
59.01234	3.0
60.21746	1.0
65.03809	5.0
66.03362	2.5
66.26688	1.1
67.01727	1.1
71.01214	2.2
73.02812	3.0
74.28353	1.2
75.00725	1.8
79.01730	2.5
81.03298	4.3
83.04868	5.8
85.02827	1.2
93.03313	40.1
95.04865	5.3
101.02232	1.3
103.02784	1.5
107.04884	50.4
108.02003	3.3
109.02820	6.5
111.04358	4.2
117.04208	1.2
121.02813	28.1
121.06445	1.2
122.03616	2.1
123.04369	5.9
133.02835	1.7
137.02336	1.5
144.13829	1.3
150.03062	5.7
150.04181	1.4
151.03899	11.3
151.07567	6.9
162.03148	2.2
163.04871	3.6
165.05443	3.3
167.03285	1.6
177.05457	11.1
180.04213	8.4
195.02925	6.2
195.06526	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10120	1.9
59.01233	3.9
60.21137	1.8
66.03351	3.5
67.05383	5.5
71.01250	5.0
79.00536	1.8
79.45276	1.9
85.02769	3.2
90.94247	2.1
91.50835	2.1
91.72589	2.5
93.03315	5.9
101.01160	1.9
101.02336	2.5
101.60520	2.2
106.04133	2.3
107.04910	4.9
107.08527	48.7
111.13954	2.0
119.04907	3.9
121.02827	4.3
121.06472	18.0
123.04388	11.5
123.08031	4.2
129.24600	2.4
132.53656	2.1
133.06456	2.2
136.05196	10.0
140.62115	3.3
150.03149	4.6
151.03922	7.3
151.07533	100.0
163.04912	5.6
165.05452	4.2
180.04208	2.8
195.03000	4.7
195.05014	4.1
195.06441	17.7
197.21930	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	195.0655
Annotation	Decarestrictin F
Peak:m/z	Relative Intensity
51.80222	0.5
57.52573	0.4
66.03326	0.4
90.23911	0.4
101.55099	0.4
107.04889	0.8
109.02793	0.5
117.03336	1.2
119.04872	2.3
121.02821	0.9
122.03583	0.6
123.04380	0.6
124.01537	1.8
125.02328	0.6
127.27991	0.5
133.02901	0.7
135.04434	0.7
137.02319	4.7
141.52841	0.5
145.02824	3.1
150.03091	2.7
151.03909	12.4
161.02319	4.0
161.77821	0.4
161.97491	0.5
162.03120	41.4
163.03885	10.1
165.05473	1.4
177.05481	6.5
179.03398	8.8
179.97855	1.0
180.04195	100.0
181.04524	2.6
188.60364	0.5
195.06554	27.0
195.12830	0.5
196.06926	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49158	0.1
59.01263	0.2
61.42679	0.1
62.77732	0.1
66.03354	0.3
66.90809	0.1
71.01240	0.2
75.00731	2.8
80.43632	0.2
87.84441	0.1
93.03335	0.4
95.04903	0.2
95.82697	0.2
97.02843	0.2
103.44846	0.1
107.01247	0.3
107.04984	0.2
108.02042	1.8
109.02873	0.2
118.30274	0.1
121.02822	1.0
121.30963	0.1
122.03608	9.0
123.04438	1.9
125.02312	0.3
133.06480	0.2
135.00789	0.3
136.01555	0.4
136.05182	0.2
136.96695	0.2
137.02348	0.6
150.03116	100.0
150.07855	1.1
151.03452	2.5
151.07516	0.4
152.00977	0.2
153.01761	0.2
161.04420	0.2
163.00290	3.0
164.99306	0.4
165.05473	51.0
165.10902	0.6
166.05823	1.5
180.04199	16.6
180.10428	0.3
181.04507	0.4
195.02914	1.6
195.06548	12.7
196.06895	0.5
204.42426	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	195.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00446	1.2
59.01247	4.2
68.90499	0.5
71.01230	1.1
71.22066	0.6
75.71049	0.6
93.03318	4.0
100.02482	0.6
108.02032	5.5
120.99470	0.8
121.02820	57.4
121.06510	0.7
122.03617	21.9
123.04335	1.9
124.01498	0.9
137.02315	1.1
149.02301	0.9
150.03120	22.3
151.03909	0.6
162.03082	1.6
163.03877	0.8
165.05476	17.8
166.05826	0.7
179.03386	0.8
179.98013	1.5
180.04196	100.0
181.04527	3.2
190.99124	0.7
195.06563	22.8
196.06978	0.8
214.85045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.01
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61576	0.2
53.75008	0.2
59.01221	0.2
63.15932	0.2
64.07274	0.2
67.24097	0.2
76.35468	0.2
79.93623	1.7
79.95591	100.0
79.97296	1.1
80.96380	0.3
95.54128	0.2
104.05247	0.6
107.04920	0.2
108.02084	0.2
109.02827	0.8
118.14683	0.2
122.03601	0.9
123.00742	0.6
124.03923	0.3
132.04762	12.0
152.04225	0.5
166.99741	0.3
182.02162	0.8
182.05731	1.5
196.01006	31.7
197.01196	0.6
197.08092	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0082
Annotation	3,4-Dihydroxyphthalate
Peak:m/z	Relative Intensity
57.03309	0.4
58.50724	0.4
65.00184	2.6
68.99667	1.0
69.03316	0.4
73.02774	0.6
76.75793	0.3
81.03326	1.0
81.60183	0.6
83.01245	4.2
85.02801	0.4
91.01749	10.0
95.01265	0.6
96.95865	4.3
97.02823	0.7
97.04045	0.4
107.01244	1.3
108.02038	1.3
108.99538	1.0
109.02814	100.0
109.05663	1.5
110.03149	2.4
121.02830	0.6
123.00744	1.6
123.04405	0.6
124.01575	0.6
125.02321	5.6
137.02333	2.5
137.36597	0.4
151.00250	3.4
151.03824	0.5
153.01823	77.6
154.02170	1.5
178.99788	0.4
179.03398	0.5
182.02167	0.7
185.11247	0.4
186.38544	0.4
191.22238	0.4
196.30531	0.4
197.00864	10.4
197.04463	1.7
197.08092	0.5
208.94104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0083
Annotation	3,4-Dihydroxyphthalate
Peak:m/z	Relative Intensity
55.23055	0.4
57.70629	0.4
59.01233	1.1
65.00184	1.1
65.03821	1.6
67.01747	0.8
69.03330	0.9
69.11776	0.5
73.02806	0.9
80.96373	1.2
81.03322	1.5
81.60176	0.7
83.04837	0.7
85.02798	0.9
91.01743	5.7
91.73356	0.6
93.03332	0.9
95.01257	0.4
96.00775	4.3
97.02795	1.1
98.02339	2.1
100.03910	2.0
107.01246	0.5
107.05960	0.7
108.02020	3.9
109.02811	100.0
109.05731	1.3
109.06461	1.1
110.03159	1.9
110.42061	0.4
111.00732	0.6
111.04366	0.5
121.02802	0.8
122.03596	2.1
123.00775	0.8
123.04341	0.8
124.01539	0.5
124.27769	0.5
125.02303	1.9
125.05949	0.6
129.61078	0.5
135.04317	0.5
137.02321	2.1
138.03180	0.5
138.05426	0.7
138.32489	0.5
140.67035	0.5
153.01819	91.1
153.06694	1.3
153.09010	0.6
154.02168	2.0
164.01085	0.5
179.03516	0.9
182.02112	0.7
182.05746	4.7
191.19647	0.5
196.64764	0.5
197.00841	28.9
197.04439	2.7
197.08061	2.3
198.07622	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0084
Annotation	4,5-Dihydroxyphthalate
Peak:m/z	Relative Intensity
50.05640	0.3
51.57464	0.3
59.01240	0.3
59.60008	0.2
64.89542	0.2
65.00182	0.3
65.03823	0.5
67.01744	0.3
69.03314	0.8
69.10380	0.5
71.01237	0.3
81.03300	2.0
83.01271	0.4
91.01744	0.9
95.01242	1.6
97.02793	1.9
102.92165	0.3
108.02036	6.5
108.99581	0.9
109.02813	100.0
109.05620	1.1
109.99947	0.3
110.03149	1.7
121.02831	2.0
122.03587	0.4
123.00749	5.5
123.04345	0.3
125.02307	2.5
134.03633	1.9
137.02310	0.5
138.03114	1.2
139.00142	0.3
149.05984	1.1
149.49110	0.4
153.01826	11.6
153.05431	1.5
153.09081	0.7
164.04729	0.4
166.99767	3.5
167.03362	0.3
178.99760	0.6
179.07002	0.5
182.02127	7.3
182.05667	1.4
197.00844	46.0
197.04507	2.5
197.08087	1.7
197.11749	0.3
198.01187	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0811
Annotation	Curvulide A
Peak:m/z	Relative Intensity
62.73748	0.4
79.95587	0.4
80.57439	0.3
93.03305	1.0
96.00744	0.5
108.02008	0.6
109.02808	1.4
121.01920	0.5
121.02819	9.7
122.03603	51.4
123.00709	0.6
123.03970	1.3
124.01527	1.9
129.94244	0.5
135.04369	0.6
136.01541	6.9
137.02313	2.5
137.05934	0.8
154.02628	2.6
161.58284	0.4
181.99657	1.1
182.05759	100.0
183.06134	2.5
197.01118	0.7
197.08118	36.3
197.16078	0.4
198.08543	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01215	0.7
61.98685	1.0
62.94579	0.7
63.96746	0.8
64.91722	0.6
71.04878	1.2
72.75291	0.7
95.01257	0.8
97.06445	12.3
99.08012	4.0
106.85124	0.7
118.25870	0.8
122.03617	3.4
123.00732	1.3
126.03107	1.4
137.09642	2.0
151.11176	1.1
153.12743	100.0
154.13075	1.3
179.10690	23.4
182.05809	1.4
197.04512	1.4
197.08064	1.1
197.11752	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	198.9877
Annotation	Meconic acid
Peak:m/z	Relative Intensity
55.75916	0.4
64.38194	0.4
66.36173	0.4
67.00280	1.8
67.01748	100.0
67.03362	1.0
68.02099	1.3
72.35194	0.4
73.41123	0.4
78.87053	0.4
83.01237	0.6
83.49047	0.5
88.49555	0.4
110.97620	1.2
111.00740	78.7
111.08035	1.0
112.01070	1.1
125.20023	0.5
150.08551	0.5
154.99745	23.4
169.55811	0.4
169.57780	0.5
192.93930	0.5
198.98799	6.9
213.59009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0968
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03075	1.3
57.03317	15.7
59.01225	3.2
67.01749	4.6
69.03295	1.6
71.04855	0.9
72.99165	29.2
73.02793	2.0
75.00697	1.4
78.78669	0.8
79.05388	1.1
81.06963	1.8
83.04887	1.8
84.04381	1.1
85.02783	1.9
87.00720	0.9
91.05362	1.8
93.03310	3.3
93.06962	7.8
95.04868	2.7
97.06468	2.3
97.57629	0.9
99.04356	0.9
100.42783	0.9
105.07011	0.9
105.64772	1.0
106.04070	3.6
107.08531	3.1
109.06442	12.9
111.00744	6.6
111.04343	2.0
111.08022	3.8
112.27460	1.0
113.02295	1.5
117.06944	2.3
119.04887	4.0
119.08533	21.0
120.08899	1.1
123.04371	1.3
125.05964	1.8
127.03898	2.1
127.11134	1.0
133.06467	2.6
135.08034	38.9
136.08420	1.3
137.02324	1.9
137.05977	1.4
137.09581	2.4
150.79424	1.0
153.09073	4.3
154.99736	2.7
155.07024	3.8
155.10690	1.4
163.07550	22.6
181.08612	15.1
199.02010	1.5
199.05969	4.3
199.09688	100.0
199.16862	4.1
200.10065	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	199.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02166	1.0
57.03316	51.0
59.01242	4.2
67.01755	1.2
67.05377	2.6
67.39511	0.7
69.03307	1.0
71.01231	2.9
71.04883	0.9
72.99165	48.0
73.02782	1.3
75.60899	0.7
81.03304	0.8
81.06947	1.1
83.04879	4.9
85.02799	10.5
91.72540	0.9
93.03305	3.4
95.04859	3.5
97.02754	0.8
107.04839	1.1
109.02796	1.2
109.06425	2.9
110.25137	0.8
111.00675	1.2
111.04378	60.9
111.08006	3.3
112.04642	1.1
113.02323	0.9
119.08543	4.9
120.25095	0.8
123.04380	13.8
125.02368	1.1
125.09503	0.9
127.11199	1.2
129.61906	0.8
135.08028	3.2
137.02292	2.8
137.06035	0.9
137.09579	4.4
138.03110	3.7
153.09085	2.7
155.07039	1.2
155.10635	7.1
163.07520	2.1
181.08617	37.6
199.02303	1.4
199.05977	3.2
199.09688	100.0
199.16878	2.0
200.10037	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	199.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72647	0.6
56.41557	0.6
57.02233	0.9
57.03315	52.0
57.04502	0.7
59.01241	4.0
67.05373	2.7
67.53763	0.7
71.01247	4.2
71.04868	1.0
72.99164	51.5
73.00906	0.7
73.02816	0.8
81.03333	0.7
81.06939	1.8
83.04874	5.1
84.45449	0.6
85.02805	10.6
93.03297	2.4
95.04906	4.1
97.06431	1.3
99.07998	1.0
109.06445	1.8
111.00734	0.9
111.04379	54.4
111.08002	1.9
112.04714	0.8
113.06006	0.7
119.08526	3.1
123.04388	14.0
124.30959	0.8
125.09573	1.6
127.03893	0.8
135.08058	1.3
137.02316	1.0
137.09596	9.3
153.09129	2.5
155.07014	1.2
155.10677	5.6
161.95419	0.8
163.07544	2.3
181.08618	34.9
191.86052	0.8
199.05901	2.2
199.09688	100.0
199.17108	1.6
200.10059	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	199.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.8
59.01255	1.5
69.03323	0.7
71.04890	0.6
73.02799	1.9
81.03303	0.7
81.06966	1.0
83.04877	2.0
85.02831	1.1
93.03336	1.3
95.04913	0.6
95.31444	0.4
99.00762	0.5
99.04378	0.6
99.08077	0.5
99.96050	0.3
109.02779	0.5
109.06540	0.5
111.00721	0.3
111.04366	1.0
111.08009	0.7
113.02327	0.9
125.05939	0.5
127.03894	0.7
135.08015	0.6
137.02309	0.7
137.05940	0.9
137.09598	8.7
155.07057	1.4
155.10664	100.0
156.11034	2.8
181.05124	0.4
181.08585	1.3
199.04199	0.7
199.06032	2.3
199.08023	0.5
199.09673	13.3
199.13365	1.1
199.16924	3.0
217.78284	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0968
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
55.01767	0.4
55.42874	0.3
56.35774	0.3
57.03327	0.5
58.59343	0.3
59.01254	1.4
59.02032	0.3
69.03313	0.4
71.01253	0.5
71.04884	0.7
72.99188	0.5
73.02810	1.9
81.03326	0.5
81.06969	1.6
83.04892	1.9
85.02785	0.6
88.36202	0.4
92.16930	0.4
93.03323	1.1
95.04865	0.4
98.38885	0.4
99.00751	1.0
109.06417	0.6
111.04348	0.8
113.02331	0.5
126.41280	0.4
127.03947	0.6
135.08055	0.9
137.02287	1.1
137.05963	0.5
137.09598	9.4
139.03906	0.5
145.44681	0.3
155.05490	1.3
155.10663	100.0
156.10973	2.2
181.04878	0.4
181.08574	1.7
184.80008	0.5
186.89072	0.5
199.04015	0.6
199.06007	2.2
199.08037	0.6
199.09668	15.0
199.13281	1.6
199.16882	1.7
200.09871	0.5
217.05699	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01728	0.9
57.03318	49.1
59.01246	4.5
61.45645	0.7
67.01728	1.0
67.05376	3.9
68.07690	0.8
69.03319	1.0
71.01229	3.5
71.04875	1.8
72.99168	43.9
73.02802	0.9
78.35544	0.9
79.03408	0.9
80.80067	0.9
81.03299	1.3
83.04879	5.3
85.02809	11.1
91.73322	1.7
93.03320	3.2
95.04888	2.6
97.02852	1.2
107.04839	1.1
109.02801	1.4
109.06439	2.5
111.00745	1.3
111.04383	51.2
111.07306	0.9
111.08037	2.9
113.02318	1.4
119.08531	4.2
123.03522	1.1
123.04395	16.2
125.02259	1.4
125.09565	1.4
127.03838	1.1
133.57274	0.8
135.08022	3.0
137.02298	2.9
137.09579	5.2
138.03140	4.6
139.03888	1.2
149.34299	1.0
152.59479	0.9
153.09142	2.1
155.07066	1.1
155.10674	4.4
163.07553	1.9
181.08626	38.8
199.05936	3.6
199.09695	100.0
199.16809	3.1
200.10002	1.6
207.22609	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1333
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
55.01746	0.3
55.25654	0.3
57.03310	0.5
58.05200	0.4
59.01242	2.5
62.79710	0.3
68.33451	0.3
69.03300	0.5
71.01247	0.6
71.04880	1.5
72.99155	0.7
81.06951	0.7
83.04879	1.1
85.02789	0.6
92.07478	0.4
93.03280	0.8
95.35295	0.4
99.00758	0.5
99.04360	0.6
111.04363	0.7
111.08040	0.5
113.02286	0.6
125.09592	1.1
127.03905	0.6
127.11140	2.6
137.09593	0.6
139.03896	0.7
139.90872	0.4
153.12729	2.0
155.07036	0.7
155.10658	2.2
162.83801	1.7
164.83524	1.6
181.05049	0.5
181.08641	0.6
181.12262	1.2
197.11769	1.7
199.06210	2.2
199.13332	100.0
199.16905	2.6
199.80431	1.6
200.13707	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	200.092
Annotation	L-Dihydroanticapsin
Peak:m/z	Relative Intensity
54.90257	0.4
57.03302	0.8
58.02850	0.9
59.01234	1.5
67.01743	0.5
67.05378	0.4
70.02827	0.7
78.03351	7.0
81.03312	4.6
82.02822	1.3
83.04864	0.5
84.02552	1.2
84.04401	100.0
84.06515	1.3
84.86469	0.4
85.04717	0.7
88.03910	3.1
93.50597	0.4
95.04847	0.6
96.04422	2.7
98.02325	0.7
98.05962	0.7
99.00732	1.2
99.04390	0.5
100.23493	0.5
109.02802	0.6
110.02326	0.7
110.05980	0.7
111.00655	0.5
112.03935	0.9
112.04696	0.7
113.05913	0.5
114.05461	1.1
114.07811	0.4
124.03920	0.5
125.02312	6.7
126.05482	0.8
128.03409	1.4
138.05493	0.7
138.09116	0.8
140.03386	2.5
156.06474	2.9
156.10162	0.9
157.04958	0.5
162.37723	0.4
165.77159	0.5
170.04440	0.7
171.93297	0.5
182.04440	0.7
182.08144	1.0
200.05501	2.0
200.09213	51.4
200.12746	2.3
201.03896	0.9
201.07538	0.6
201.09465	1.0
201.12500	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00075	2.0
59.01242	100.0
59.02560	1.3
60.39558	0.5
63.33749	0.5
63.58249	0.6
93.29089	0.5
115.02418	0.7
157.03445	5.7
159.01402	4.1
169.51834	0.6
187.86153	0.6
201.02495	17.5
201.04227	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93066	0.8
52.09861	0.9
57.03297	4.9
58.02827	1.3
59.01017	1.0
59.01243	11.5
59.86465	1.0
60.90380	1.0
66.62199	1.1
69.03290	3.3
71.01236	2.5
71.04871	7.4
72.99150	2.1
73.01067	1.1
73.02804	72.0
73.04330	1.4
83.04860	2.6
85.02785	1.8
85.06433	5.8
87.04369	3.9
91.73401	2.5
93.03300	4.4
95.04881	2.5
96.02039	1.2
97.02809	1.9
97.06433	5.1
99.04375	1.2
99.07986	1.6
100.03916	1.3
109.06403	2.3
111.04369	3.0
111.08015	9.9
113.02367	1.3
113.05925	2.3
113.09581	25.2
121.06494	1.5
124.05151	6.3
127.07439	1.2
127.11142	3.2
137.02316	2.2
137.05939	4.2
137.09589	3.5
139.07521	100.0
139.11191	5.3
140.07861	2.0
141.01811	1.6
155.10632	5.7
156.04124	2.4
157.08592	76.0
157.12167	2.5
157.13354	1.3
162.33794	1.1
165.05481	20.4
173.05974	1.5
183.06541	55.9
183.10049	3.8
201.01978	2.0
201.05580	8.7
201.07603	97.8
201.11229	52.9
201.14299	2.0
202.07634	1.3
202.11618	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	201.076
Annotation	7-Hydroxy-10-deoxyeucommiol
Peak:m/z	Relative Intensity
52.20188	0.4
57.03317	3.0
58.02837	0.6
59.01242	7.1
69.03331	2.0
71.01253	2.2
71.04879	4.8
72.99178	0.8
73.02801	3.1
81.03310	2.8
83.04891	1.3
84.04412	0.5
85.02821	1.0
85.06438	3.0
87.00738	2.4
87.04370	11.7
93.03324	1.5
95.04912	0.7
97.06474	2.2
111.04404	1.4
111.08024	2.7
112.89468	0.5
113.02297	3.2
113.05958	0.5
113.09578	2.8
114.09113	0.9
116.07045	3.5
119.26123	0.5
121.06481	0.8
125.02323	3.2
127.07491	1.8
129.05461	2.6
134.36807	0.5
139.03896	1.2
139.07530	25.9
139.11221	1.2
140.07852	0.9
141.01805	0.9
141.05434	1.1
156.05679	1.2
157.08595	100.0
158.09044	2.5
173.06024	0.7
183.06537	8.4
183.10101	1.5
199.09731	0.7
201.05563	4.8
201.07608	47.5
201.11243	32.5
202.07883	0.8
220.90143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0761
Annotation	7-Hydroxy-10-deoxyeucommiol
Peak:m/z	Relative Intensity
50.06096	0.7
57.03311	4.9
58.02822	1.4
59.01236	6.6
69.03304	1.9
71.01241	7.1
71.04877	5.2
72.99155	1.7
73.02784	4.4
81.03285	1.2
83.04876	0.9
85.02788	1.1
85.06443	6.4
87.04373	6.2
88.03894	2.4
93.03316	2.7
93.37123	0.8
95.04884	1.5
96.02016	1.5
97.02834	1.2
97.06462	3.6
97.91279	0.9
105.28464	1.1
107.15507	0.9
107.34188	0.9
109.02731	0.9
111.04362	2.7
111.08015	11.7
113.05969	1.6
113.09587	25.3
120.37380	1.0
121.06456	2.0
124.05198	6.3
125.06009	1.2
129.05414	2.1
130.08611	37.7
137.05917	5.0
139.07527	100.0
139.11067	2.3
139.12012	1.2
140.07889	2.8
140.50351	1.0
155.06960	1.1
155.10712	2.2
156.04147	3.7
157.08595	77.3
158.05978	1.3
158.08861	1.7
165.05469	21.9
183.06544	54.3
183.09991	4.8
184.06807	1.5
196.94884	1.2
201.07616	99.9
201.11246	28.4
202.05054	1.3
202.10789	18.0
211.04767	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1125
Annotation	Feigrisolide A
Peak:m/z	Relative Intensity
51.46618	0.3
56.95314	0.3
57.03324	2.1
57.03550	0.4
58.02836	0.5
59.00978	0.4
59.01245	6.4
62.79432	0.4
63.69504	0.3
69.03294	1.2
71.01220	1.2
71.04881	3.8
72.99162	1.1
73.02802	6.5
81.03326	2.9
83.04862	1.3
84.04379	0.4
85.02792	1.0
85.06427	0.9
87.00722	2.4
87.04378	3.8
87.04889	0.5
93.03297	1.3
95.01264	0.3
95.04890	0.6
97.02788	0.6
97.06437	1.7
99.00703	0.4
99.04370	0.4
109.06467	0.5
111.04359	2.1
111.08012	6.8
113.02302	1.3
113.05966	0.6
113.09573	1.8
114.09084	0.7
114.11827	0.4
116.07052	5.9
123.08010	1.1
125.02313	3.4
125.05957	0.5
129.05461	2.7
137.02267	0.8
139.03891	1.1
139.07529	12.9
139.11160	1.0
141.05453	1.9
141.09109	1.9
155.10649	1.8
156.05710	0.7
157.03363	0.5
157.08595	37.5
158.08051	0.8
158.10104	0.4
165.05440	1.0
165.09093	1.1
171.10191	0.5
183.06538	6.3
183.10162	5.1
199.09721	2.9
201.03734	1.4
201.05556	1.9
201.07619	23.6
201.11250	100.0
202.11754	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	201.1125
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
54.12387	0.5
57.03305	2.6
61.01098	0.5
67.05388	0.8
69.03300	0.9
72.99165	26.3
74.66208	0.5
82.78423	0.6
83.04895	0.8
87.04362	0.7
93.06940	2.4
93.33374	0.6
95.08479	0.9
109.06460	0.8
111.08009	4.4
121.06454	2.0
127.11123	0.7
137.09598	0.9
139.11183	1.4
155.10655	6.9
157.25156	0.6
165.09119	0.7
183.10188	42.0
184.10503	0.7
196.62100	0.6
201.11259	100.0
202.11569	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50077	0.3
58.02832	0.9
58.24047	0.3
58.52718	0.3
59.01240	3.3
65.79523	0.3
68.99692	0.3
71.01233	0.5
72.00787	0.5
83.01232	0.8
85.02806	0.7
99.92447	0.5
100.03898	1.3
111.08002	0.8
112.03880	1.5
112.08311	0.6
115.05401	7.4
116.04935	5.7
128.04938	1.1
129.05714	0.8
130.06496	12.7
131.03632	1.7
132.04417	0.7
141.09097	3.9
144.04410	5.9
146.04840	0.6
146.05995	9.7
150.43045	0.5
156.11031	1.4
157.05203	1.6
158.00458	0.8
158.06004	100.0
159.06352	2.6
171.06554	0.4
172.03888	0.4
174.05507	22.2
175.05925	0.8
184.10556	0.5
185.08133	0.4
190.54015	0.4
201.11238	2.3
202.05026	14.1
202.07098	1.1
202.11620	9.6
203.05415	0.8
203.07280	0.7
203.09224	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	202.0502
Annotation	Indolepyruvate
Peak:m/z	Relative Intensity
52.18396	0.4
59.01231	1.5
59.89883	0.4
60.40369	0.4
68.15044	0.5
72.15232	0.4
115.05399	6.5
116.04932	5.4
118.46712	0.5
128.04935	1.0
129.05736	0.9
130.06509	12.0
131.03644	1.6
132.04376	0.7
140.78523	0.5
144.04430	5.9
146.06010	9.9
157.05200	2.1
158.00925	1.3
158.06009	100.0
159.06340	2.5
174.05522	21.7
202.05028	11.3
202.06918	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0819
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
52.79219	0.5
55.13861	0.5
59.01244	0.8
62.61895	0.5
63.03264	0.6
72.00764	19.0
74.02328	37.3
74.03991	0.5
74.99648	0.5
83.30688	0.5
99.00067	0.5
107.99960	0.5
116.01399	1.3
116.04922	100.0
117.05270	1.9
129.05716	1.2
130.06496	3.1
132.08125	0.8
142.06505	30.6
143.06847	0.9
157.07568	1.0
159.09175	17.8
160.25403	0.7
161.04706	0.6
172.25104	0.5
186.05496	3.9
203.08199	66.6
204.08597	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	203.1282
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
56.78197	0.5
57.03305	2.5
59.01246	5.2
79.76485	0.6
85.02815	0.8
111.08027	1.2
113.09583	3.3
123.08038	0.9
127.11172	3.1
137.09593	0.8
139.11163	1.8
141.09081	2.5
155.10686	7.3
157.12239	38.5
185.11722	1.2
201.11288	1.3
203.12833	100.0
204.13214	1.5
211.75920	0.6
221.26001	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0295
Annotation	6-Hydroxykynurenic acid
Peak:m/z	Relative Intensity
58.02839	0.3
59.01243	3.1
65.99677	0.2
69.03316	0.2
71.01244	1.5
72.99158	0.7
73.02797	0.9
75.00758	0.2
81.38140	0.2
85.02800	0.9
87.00752	0.4
88.03890	1.0
89.02308	0.5
90.94643	0.2
96.00881	0.2
99.04408	0.3
101.02274	0.3
112.98697	0.3
115.00251	0.9
118.02864	3.9
124.98710	0.2
125.02411	0.2
127.03817	0.2
130.04959	0.6
131.03629	2.5
132.04431	7.0
137.45944	0.2
142.05710	0.4
159.03156	29.6
160.03935	100.0
160.09317	1.2
161.04282	2.8
162.07587	0.4
166.61902	0.2
175.02628	0.3
186.04820	0.3
186.07719	0.2
198.35997	0.3
204.02963	5.8
204.06635	0.3
204.08723	0.6
204.99843	0.7
205.07095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.9214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00177	3.1
55.01742	5.4
59.01239	13.2
64.57438	0.9
67.15956	0.9
71.01241	98.5
71.02811	1.4
71.69215	1.1
72.01579	1.5
72.52635	1.1
72.98787	2.1
72.99166	28.2
73.02805	54.9
73.04435	1.3
74.03133	1.5
75.00714	3.0
77.35319	1.0
80.99676	11.2
84.99158	1.5
87.00745	5.9
87.48629	1.0
87.88585	1.0
89.02299	37.1
96.99160	2.9
97.99951	3.6
99.00738	47.4
103.00225	1.8
103.42576	1.1
112.98670	23.3
115.00240	89.4
124.98679	12.7
133.01291	6.7
142.99760	14.3
161.00816	3.5
169.48445	1.2
175.26889	1.2
186.98763	1.1
204.99838	100.0
206.00165	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	204.9982
Annotation	3-Oxalomalate
Peak:m/z	Relative Intensity
53.00173	4.2
54.65809	1.5
55.01737	7.0
58.98954	1.3
59.01234	13.5
63.32537	1.5
63.80325	1.2
66.87888	1.5
70.99512	1.5
71.01239	100.0
71.02760	1.8
72.01579	1.3
72.99166	25.7
73.02396	2.9
73.02806	58.9
73.04407	1.4
74.18899	1.4
75.00713	3.5
76.52880	1.4
80.99675	10.0
84.20699	1.5
87.00722	6.8
89.02297	34.3
96.99177	1.8
97.99957	3.9
99.00744	46.0
112.98660	18.4
115.00234	85.2
116.00569	2.8
124.98672	13.2
133.01297	6.1
136.33990	1.5
142.99773	9.7
153.81233	1.6
161.00769	3.5
197.93494	1.6
204.99835	99.2
206.00174	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	204.9983
Annotation	3-Oxalomalate
Peak:m/z	Relative Intensity
51.03539	1.5
53.00172	3.4
54.07017	1.5
55.01744	8.8
59.01246	13.8
60.88921	1.4
65.62851	1.5
71.01241	100.0
72.99167	22.0
73.02804	60.4
75.00724	4.0
80.99670	7.8
87.00742	3.1
89.02305	35.9
96.99184	5.5
97.99963	5.6
99.00738	47.1
112.98660	21.4
114.02972	1.9
115.00240	88.8
115.83591	1.9
124.98698	12.4
125.02311	2.8
133.01323	6.3
142.20338	2.0
142.99748	10.5
161.00813	3.9
204.99843	95.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.9982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20459	1.2
52.11822	1.1
53.00186	2.7
55.01740	5.4
55.88103	1.2
58.87457	1.3
59.01240	19.5
71.01239	100.0
71.02979	1.6
71.04868	10.9
71.17414	1.2
72.01585	1.3
72.98775	2.7
72.99163	29.2
73.02399	3.2
73.02805	57.1
75.00712	6.3
75.30367	1.3
76.81995	1.3
80.99663	7.2
81.03307	3.3
84.02019	21.7
84.99154	2.9
85.02788	2.2
85.06338	1.7
87.00729	40.3
89.02298	35.7
92.58422	1.4
96.99147	4.6
97.99947	5.7
99.00737	46.2
99.04373	21.3
101.02295	13.4
103.00228	1.9
111.00753	12.4
112.98673	18.8
115.00233	84.2
115.03869	4.4
124.98677	17.0
125.02312	73.0
129.01727	2.3
133.01289	6.1
142.99748	15.6
143.03400	3.9
145.01347	7.1
161.00824	3.0
168.97743	1.6
187.02408	6.5
187.71991	1.4
204.99835	92.5
205.03435	19.4
205.07042	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.9983
Annotation	3-Oxalomalate
Peak:m/z	Relative Intensity
53.00173	1.9
55.01738	3.1
55.30696	0.8
57.03320	1.0
58.02829	2.6
59.00983	0.9
59.01246	16.3
71.01241	79.1
71.02772	1.1
71.04874	3.8
72.01572	1.0
72.99165	33.6
73.02805	54.9
73.04404	0.7
75.00719	4.1
80.99684	7.4
81.00092	1.2
81.03307	3.3
82.57331	0.9
84.01551	1.8
84.02021	26.6
85.02362	1.2
85.02802	5.9
87.00729	15.5
89.02297	35.2
96.99168	3.2
97.99954	4.5
99.00739	38.5
99.03331	0.8
99.04376	15.4
99.08007	4.1
100.01091	0.9
101.02299	5.3
101.05936	2.3
103.00211	2.6
111.00743	9.5
112.98672	17.1
113.02302	2.0
113.05935	1.8
115.00237	76.5
115.07513	39.8
115.08135	0.6
116.00618	1.0
116.08037	0.9
117.01791	1.0
124.98690	10.2
125.02316	26.4
129.05450	23.1
129.06418	1.2
131.03354	1.6
133.01288	6.4
142.99748	11.0
143.03354	2.9
143.07013	16.5
159.06496	2.8
161.00777	3.5
161.04491	1.7
161.05975	2.1
161.08130	1.2
167.03348	1.5
186.98854	1.3
187.02443	1.7
204.91556	1.1
204.99838	100.0
205.03291	12.2
205.05060	2.1
205.07095	26.6
205.08786	1.9
205.15913	3.3
206.00163	2.2
206.07568	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.8
55.15619	0.6
57.03317	4.0
58.00463	0.8
59.00972	1.1
59.01242	14.5
62.65731	0.6
63.02870	0.7
67.01741	4.5
68.99668	1.8
71.01240	18.8
71.04504	1.5
71.04876	21.7
72.99168	8.4
73.02808	13.2
75.00740	3.8
80.99660	0.8
81.03316	6.4
83.01241	2.0
83.04884	2.9
84.02025	19.2
85.02825	3.3
85.99947	0.9
87.00729	67.7
88.03900	1.3
89.02282	6.1
89.40199	0.9
90.75099	0.7
96.99149	0.8
97.02823	1.3
97.06438	1.2
97.99906	0.8
99.00730	10.6
99.04378	27.8
101.02301	22.9
101.06009	1.0
103.00228	2.1
110.97468	1.0
111.00742	61.1
111.03679	1.1
112.01077	1.6
112.98675	2.8
115.00230	18.8
115.03867	8.2
115.07528	1.4
117.01820	1.9
117.48704	0.9
124.98598	3.2
125.02312	100.0
125.05942	6.4
126.02641	1.8
127.00249	1.4
127.03887	1.4
129.01828	1.9
130.99722	1.8
142.99744	6.8
143.03375	10.9
143.07043	3.4
145.01320	4.3
145.04932	3.4
151.03906	0.9
154.99782	3.1
169.01216	1.4
169.04977	2.5
173.00832	2.2
175.02377	1.1
187.02399	6.5
187.06029	9.8
204.99828	9.4
205.03477	21.4
205.07095	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	4.2
58.02810	0.4
59.01241	15.5
67.01744	5.1
69.03291	0.4
70.02528	0.4
71.01240	15.3
71.04875	9.4
72.98779	0.8
72.99165	8.7
73.02805	13.6
73.25990	0.4
75.00732	2.2
80.99670	0.7
81.03298	2.3
83.01239	2.0
83.04885	6.9
84.02023	6.2
85.02802	5.0
85.06467	0.9
87.00730	53.7
87.02926	0.8
87.04364	1.4
88.01086	0.6
88.03888	1.0
89.02299	4.1
97.02811	1.3
97.06443	3.2
99.00735	6.7
99.04375	11.2
101.02304	13.1
101.05886	1.1
103.00262	0.7
107.99087	0.4
111.00739	100.0
112.01087	2.2
112.98666	2.7
115.00227	11.0
115.03874	8.3
115.07498	4.4
117.01786	1.4
120.93172	0.4
124.98698	2.7
125.02312	32.7
125.05947	9.3
126.02630	0.9
127.03873	3.3
129.01785	1.2
130.99713	0.8
142.99762	3.8
143.03374	11.5
143.07028	8.1
145.01323	2.3
145.04942	9.4
151.03883	1.1
154.99736	2.1
161.00870	0.7
161.08087	0.8
169.04924	3.7
173.00827	3.2
173.04477	0.5
187.02415	1.5
187.06030	15.5
204.99803	8.2
205.03491	9.3
205.07118	18.7
205.08812	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	0.9
59.01245	3.6
71.01233	1.1
72.99167	37.1
73.00853	0.6
73.02805	2.6
73.07379	0.6
75.00751	1.9
81.06966	3.2
85.02809	0.7
85.06445	3.5
97.06468	1.3
99.08016	13.0
100.48484	0.6
101.05941	1.7
113.05943	3.2
115.07513	100.0
115.10785	1.2
116.07839	2.1
125.05929	1.7
129.05447	56.0
129.94000	0.7
130.05760	1.3
143.07021	35.7
144.07289	0.9
159.06496	4.3
160.94185	0.7
161.08049	1.5
187.82573	0.7
205.07106	47.2
206.07585	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1227
Annotation	cis-(+-)-2,3,4,5-Tetrahydro-2,5'-dimethyl-5-(1-methylethenyl)-2,2'-bifuran
Peak:m/z	Relative Intensity
59.01244	3.8
61.98686	1.0
71.01236	2.3
72.99163	0.6
73.02805	1.3
85.02807	1.4
87.00715	0.4
87.47945	0.3
89.02298	0.4
93.03311	0.5
95.01256	0.4
97.02745	0.3
99.00747	1.1
106.04095	3.9
107.04894	2.5
109.02808	5.1
113.02332	0.7
115.00232	1.5
122.03606	3.2
123.00703	0.5
127.03867	0.4
133.06433	0.4
139.03931	0.4
148.05179	1.2
149.02361	0.3
149.05965	0.7
153.28661	0.3
161.05963	2.6
164.87228	0.3
167.03415	1.0
174.75461	0.3
176.00980	0.4
177.05426	0.4
187.03857	0.4
190.02602	0.6
204.99858	1.4
205.04887	1.6
205.07053	2.3
205.12276	100.0
205.15936	2.7
206.12619	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	206.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02840	35.2
59.01225	3.2
61.05574	0.6
70.02837	11.4
72.00766	4.3
72.31410	0.5
76.97271	0.6
82.85802	0.6
83.04803	0.6
91.05388	20.2
92.05677	0.9
93.03354	0.6
97.69843	0.7
98.54443	0.6
99.88189	0.8
103.08525	0.6
119.04901	1.0
135.04361	0.8
139.82286	0.7
147.04402	36.3
148.04770	1.2
163.03954	1.0
164.07069	100.0
165.07426	2.6
168.20320	0.7
206.08174	39.0
207.08675	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21870	0.2
56.43607	0.2
58.01686	1.8
58.02840	100.0
58.04124	1.4
59.01242	5.1
59.03186	0.7
70.72623	0.3
71.01235	0.5
73.02814	0.3
84.10023	0.2
86.29411	0.3
93.03332	0.7
99.00713	0.5
115.00199	0.3
116.00624	0.4
119.04872	0.4
147.04398	1.1
163.03932	0.5
164.07068	30.4
165.07491	0.6
177.05484	0.5
206.00230	0.6
206.08159	28.7
206.16478	0.4
207.02872	0.4
207.06464	0.3
207.08418	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20024	0.3
58.01689	1.8
58.02842	100.0
58.04127	1.2
59.01244	5.0
59.03175	0.7
71.01273	0.5
73.02826	0.3
78.15659	0.3
104.22852	0.3
107.01234	1.3
113.26446	0.3
119.04889	0.3
121.06441	0.4
123.85704	0.3
127.63028	0.3
135.00772	0.9
141.19672	0.3
145.06479	0.3
147.04428	0.7
160.07567	0.3
162.02666	0.3
162.05511	0.3
162.09183	0.5
163.00269	2.7
163.07484	0.4
163.11143	0.5
164.07076	32.3
165.07382	0.7
192.00578	0.6
192.04068	0.3
206.08171	29.2
207.02997	0.5
207.06693	0.4
207.08479	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72455	0.2
58.02831	0.6
59.00965	0.3
59.01242	4.0
61.87258	0.2
63.02265	0.2
68.03608	0.2
71.01259	0.2
91.05392	0.3
93.03304	1.3
99.00742	0.7
103.68422	0.2
119.01337	1.1
119.04888	100.0
119.07965	1.1
120.05215	2.8
124.04704	0.2
129.01767	0.6
135.04451	0.3
143.04919	0.2
147.02849	0.4
147.04422	0.5
151.00262	0.6
163.03902	6.3
163.07570	0.4
164.07063	0.2
178.99736	0.3
192.07835	0.6
206.99265	0.7
207.02917	18.2
207.06316	0.6
207.10193	0.5
208.03268	0.3
208.06039	0.3
221.19565	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	207.0292
Annotation	Isoochracinic acid
Peak:m/z	Relative Intensity
56.16559	0.3
57.03304	0.3
58.02830	0.4
59.00975	0.4
59.01244	6.8
62.18252	0.3
71.01228	0.5
74.93702	0.3
75.00706	0.5
85.02801	0.5
90.72754	0.6
91.05392	1.6
93.03314	1.3
99.00718	0.8
101.02297	0.3
102.04211	0.3
103.74364	0.3
106.59518	0.3
117.03273	0.4
119.04893	100.0
119.08350	1.3
120.05245	1.7
129.01781	1.0
135.04399	0.8
141.83386	0.3
145.02866	0.5
147.02875	0.8
147.04384	0.4
163.03906	70.3
163.11145	0.9
164.04271	1.3
165.05496	0.5
178.54214	0.4
207.02927	9.5
207.06561	1.0
207.10199	0.5
208.16138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0293
Annotation	Isoochracinic acid
Peak:m/z	Relative Intensity
57.03318	0.3
58.02846	1.0
59.01242	2.9
68.66854	0.2
71.01254	0.3
79.74235	0.2
85.02802	0.2
93.03320	0.9
99.00744	0.3
117.03303	0.3
119.04892	100.0
119.08391	1.2
120.05235	2.6
129.01808	0.5
147.02895	0.6
147.50746	0.2
163.03906	7.2
164.05602	0.2
164.06999	0.2
165.07442	0.3
207.02927	23.9
208.03302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0292
Annotation	Isoochracinic acid
Peak:m/z	Relative Intensity
51.02229	0.3
54.30925	0.3
54.65877	0.3
58.02835	0.6
59.01244	4.0
71.01254	0.7
73.02774	0.4
89.03847	0.5
91.05367	0.6
93.03307	9.1
93.03835	0.7
99.00725	0.8
107.04903	3.6
108.02047	2.3
109.02834	2.3
111.00756	0.7
117.03336	2.4
119.04867	2.0
120.99392	0.6
121.02818	36.0
122.03135	0.8
124.01571	0.5
127.00227	1.1
129.01816	0.9
133.02849	1.8
134.03622	2.1
135.04401	11.7
137.02354	1.2
137.39200	0.4
145.02835	3.7
147.02866	0.7
160.01538	0.7
161.02341	22.6
162.03119	4.1
163.03905	100.0
164.04250	2.7
189.00298	0.6
192.04297	0.6
194.02090	0.5
207.02927	35.4
208.03320	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0292
Annotation	Isoochracinic acid
Peak:m/z	Relative Intensity
58.02839	0.1
58.53514	0.1
59.01244	1.9
62.86534	0.1
68.16092	0.1
71.01247	0.2
75.00745	0.2
89.03822	1.1
91.05424	0.1
91.72704	0.2
93.03304	0.4
99.00719	0.2
101.03838	0.1
106.04096	0.1
107.01231	0.3
107.04878	0.4
117.03330	6.6
119.04901	0.5
121.02834	0.7
129.01823	0.5
133.02847	0.3
134.03598	0.8
135.04395	3.7
144.98038	0.1
145.02832	6.5
146.03557	0.4
147.02849	0.3
159.04411	0.5
161.02339	1.2
162.03134	1.8
162.98087	1.0
163.03906	100.0
164.04245	3.5
177.01863	0.1
178.99760	0.4
179.03261	0.1
186.05602	0.3
189.01874	0.5
192.04247	0.3
207.02922	1.2
207.06598	0.5
207.10214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0657
Annotation	2-Benzylsuccinic acid
Peak:m/z	Relative Intensity
54.11401	0.6
55.01748	1.0
57.03300	1.8
58.02831	0.8
59.00975	1.3
59.01244	18.9
60.72634	0.8
65.03818	2.0
66.12863	0.7
69.03284	0.9
71.01234	1.3
71.10805	0.7
74.23614	0.7
75.00728	2.7
75.51737	0.7
79.05410	0.9
79.95560	1.0
81.03304	2.2
83.04884	1.1
85.02782	0.9
91.05362	1.3
93.03303	6.6
95.04879	2.2
96.31519	0.8
97.02816	6.5
99.00726	1.7
106.04121	3.9
107.04887	8.3
108.02035	8.0
109.02818	9.6
115.34016	0.8
117.06953	2.4
119.04894	12.5
119.08540	7.8
120.90774	0.9
121.02837	1.6
121.06473	1.5
122.03613	2.0
129.01797	2.7
133.06485	5.8
134.03603	1.4
135.04378	5.6
135.08032	19.3
138.50334	0.8
140.67630	0.8
143.04906	2.6
145.06464	2.8
147.02867	2.4
147.04344	1.2
148.05199	6.5
163.03859	2.4
163.07544	46.3
164.01021	0.8
178.99753	1.1
179.03363	1.0
187.19888	0.8
191.34483	0.8
192.00485	4.2
192.04112	1.7
207.01131	6.0
207.02989	5.9
207.06567	100.0
208.06865	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	207.102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.9
59.84597	0.3
60.50576	0.3
73.99321	0.3
83.01215	0.3
86.54810	0.4
91.73405	1.0
99.00717	0.6
106.04097	2.0
113.98220	0.4
119.04931	0.5
119.08564	2.0
121.02829	2.9
122.03560	0.4
122.11082	0.3
133.91275	0.3
135.11673	1.5
150.03143	2.0
150.04135	0.3
151.00226	0.5
163.05754	1.2
163.11182	100.0
164.11482	3.8
179.10732	0.5
206.99254	0.8
207.02914	0.5
207.06355	0.3
207.10245	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	209.0085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85327	0.1
57.10574	0.2
57.31897	0.1
58.84532	0.1
59.01226	0.3
59.29993	0.2
62.96783	0.2
65.10033	0.2
85.02789	0.3
93.00758	0.5
93.03314	41.6
93.05550	0.5
94.02824	0.3
94.03654	0.8
99.00719	0.2
120.99009	0.5
121.02819	46.5
121.06130	0.5
122.03161	1.1
124.03899	0.6
135.00716	0.2
139.03876	0.5
141.90866	0.2
164.95790	0.9
165.01830	100.0
165.07094	1.1
166.02171	3.1
173.04440	0.5
178.99777	0.2
179.07127	0.2
191.10635	0.2
206.38992	0.2
209.00862	2.8
209.04453	0.5
209.08293	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0449
Annotation	Clavatoic acid
Peak:m/z	Relative Intensity
55.73124	0.3
58.23192	0.2
65.03824	0.6
70.15888	0.2
78.20424	0.3
81.63548	0.3
91.05379	0.4
92.02027	0.3
92.02545	1.2
93.03323	1.2
93.06989	0.7
94.02855	0.3
97.02831	0.4
103.43932	0.3
106.04099	7.6
107.04910	2.3
108.02034	0.9
109.02832	0.4
117.24409	0.3
119.01276	0.9
119.04893	69.5
120.02035	1.2
120.05232	1.7
121.02832	21.0
121.06458	100.0
121.09676	1.0
122.03179	0.5
122.06786	2.6
124.03914	0.4
131.28615	0.3
136.01530	0.4
137.02324	0.5
147.04402	8.6
147.05515	0.5
153.01801	0.3
164.99660	0.6
165.05470	75.2
165.10614	0.7
166.05811	2.3
181.39433	0.4
183.06601	0.4
191.03441	1.0
191.10701	0.3
194.05792	0.4
209.04498	67.0
209.11748	1.0
210.04820	2.0
218.14972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.066
Annotation	D-Mannoheptulose
Peak:m/z	Relative Intensity
55.01749	1.6
57.03316	25.9
58.00448	1.5
59.00052	1.0
59.01242	36.3
59.60439	0.8
68.48310	0.9
68.99664	1.9
71.00877	1.8
71.01239	23.3
72.99151	2.1
73.02784	4.3
75.00724	2.2
78.95774	1.9
83.01235	10.2
84.02014	2.3
85.02804	60.0
85.99949	1.6
86.98595	1.3
87.00730	100.0
87.04376	2.5
89.02300	19.1
97.02856	1.1
99.00736	20.4
101.02277	5.6
102.46320	1.0
110.98367	1.1
111.00739	1.7
113.02315	1.2
115.03870	10.2
119.02219	1.0
122.39689	1.1
124.03874	1.6
129.01813	59.0
133.01266	2.9
136.93861	2.4
142.99759	1.3
159.02896	11.2
159.84633	1.0
160.03067	1.1
163.06107	1.6
172.77800	1.1
177.04027	1.7
191.01852	3.4
191.05516	1.9
208.93320	1.1
209.02986	6.6
209.06607	79.3
210.07060	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	209.0812
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
59.01241	42.8
59.02458	0.7
63.98216	0.5
71.01218	0.7
73.02803	2.3
74.43559	0.4
83.04855	1.0
84.04411	0.6
89.02312	0.5
91.01754	0.9
91.05388	2.4
93.03310	5.5
94.02847	2.6
99.00754	0.7
106.04115	2.4
107.04876	0.7
108.02007	0.6
109.02821	0.5
111.04378	2.0
120.02030	8.5
121.02818	100.0
121.06464	2.1
122.02328	0.5
122.03154	1.9
123.04335	0.6
123.05494	0.6
124.03928	5.3
136.01521	0.7
137.02321	1.8
137.05949	1.0
139.03880	1.4
147.04361	0.7
147.08043	4.0
149.05969	38.5
150.06384	0.7
155.03378	0.7
165.05475	1.7
165.09077	1.4
173.04477	9.4
181.04936	0.9
209.04514	13.4
209.08099	14.3
210.07880	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70564	0.3
59.01250	0.4
74.36008	0.3
81.03326	0.4
93.03310	2.7
95.01183	0.3
95.04884	2.7
97.02786	0.4
103.83506	0.3
105.03324	9.5
105.04021	0.6
107.04862	0.9
110.69949	0.3
117.03329	0.8
120.02060	0.8
121.02820	8.6
123.04404	1.0
124.03902	0.7
132.12523	0.3
133.02844	5.4
135.04378	0.4
145.02878	0.4
147.04395	0.7
150.03078	0.9
151.03897	29.2
152.04263	0.6
161.02336	66.4
161.07686	0.6
162.02650	1.5
165.05418	0.8
165.12827	0.4
175.03845	0.4
176.04700	32.1
177.05150	0.8
179.03409	100.0
179.09770	0.9
180.03763	2.2
191.07069	9.4
193.04958	0.8
194.05774	75.6
194.12946	0.8
195.06088	2.2
205.20731	0.5
209.04500	1.0
209.08125	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	209.0814
Annotation	3,4-Dimethoxymethylbenzoate
Peak:m/z	Relative Intensity
54.22940	0.3
59.01236	2.1
60.52365	0.3
66.03348	1.1
73.02803	1.7
81.03329	0.4
81.94376	0.4
83.04895	0.8
93.03316	3.8
94.02859	4.4
96.95862	0.4
99.00757	0.5
107.04893	1.1
111.04362	1.6
120.02018	1.0
121.02823	19.0
123.04366	1.1
123.05398	0.7
124.03917	11.3
125.02203	0.4
129.01855	0.6
135.08049	0.9
137.02351	2.2
137.05945	1.0
138.03099	1.4
151.03864	1.0
152.04681	25.9
153.05055	0.5
155.03374	0.7
163.07559	4.5
164.93993	0.5
165.05466	1.2
165.09016	0.7
165.12802	0.5
166.02586	2.0
166.94208	0.8
173.04431	6.5
179.07062	4.9
180.04199	10.2
181.08621	9.2
184.03711	1.4
207.06580	6.0
209.00328	1.1
209.04582	3.5
209.08136	100.0
209.15228	1.5
210.08551	2.9
218.57491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	(+)-7-Isojasmonic acid
Peak:m/z	Relative Intensity
56.90371	0.7
57.03325	3.7
58.99878	1.0
59.00143	1.6
59.01241	100.0
59.02489	1.8
60.01583	0.9
60.04002	0.8
60.10512	0.7
61.98694	0.9
69.03326	1.3
71.17458	0.7
71.21278	0.7
73.02847	1.1
74.73912	0.7
77.09457	0.8
78.70720	0.8
80.02547	1.1
81.03342	2.5
81.94521	0.8
83.04896	1.0
85.02821	1.5
85.11411	0.8
91.01743	0.8
93.03319	4.3
94.02831	4.5
94.64542	0.7
96.95907	1.9
97.02817	1.3
97.06438	3.8
99.04395	0.8
107.04881	0.8
108.02057	0.8
109.06441	5.5
111.04401	1.0
116.85246	0.8
118.53554	0.8
118.94099	2.2
120.02068	3.2
121.02817	44.6
121.06512	1.0
123.04419	0.9
124.03894	7.6
133.62695	0.8
136.95164	1.0
137.02353	1.7
137.06003	1.2
155.03458	1.1
164.94038	2.3
165.05496	1.7
165.09071	1.4
165.12729	7.9
166.94296	1.1
173.04546	4.5
179.03452	2.0
191.10815	1.8
194.02121	1.0
194.05856	1.7
201.65042	0.8
209.04427	6.6
209.08096	5.1
209.11758	17.3
209.13553	1.1
210.12093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86758	0.2
55.11684	0.3
59.01232	0.7
66.03345	5.8
69.03312	0.5
70.02831	0.3
71.01228	0.4
71.48169	0.3
73.02786	0.5
76.50483	0.3
78.03345	0.6
78.95751	1.5
80.04903	0.8
81.03292	0.3
81.77931	0.2
82.02814	1.0
84.04398	0.7
85.02790	0.7
87.00723	0.3
87.85413	0.3
93.03318	0.5
94.00389	0.6
94.02839	42.0
95.03162	0.5
95.04865	0.3
96.04394	0.7
96.96808	1.5
97.02833	0.6
97.03933	0.3
99.00728	0.4
112.03891	1.0
118.06493	0.9
120.04435	0.3
121.02792	1.1
122.03133	0.3
123.04408	0.8
124.00146	1.1
124.03911	100.0
125.02312	0.7
125.03456	0.4
125.04252	2.2
137.02281	0.6
138.01897	0.4
145.76463	0.3
148.07541	0.7
150.05473	0.7
157.20703	0.3
162.05534	0.3
165.01857	0.5
166.04991	0.5
166.08626	0.9
167.03354	0.6
167.04659	0.3
171.09312	0.3
173.04478	0.8
174.04817	0.7
180.06657	0.5
192.06645	0.5
210.07623	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	211.0241
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
57.77024	0.4
59.01236	1.0
70.02837	0.6
71.01246	0.6
73.02794	0.5
80.02534	2.3
85.02786	0.8
93.03304	1.3
95.01230	0.7
107.04882	0.6
108.02026	61.3
109.02308	0.7
111.04333	0.6
112.03889	1.7
116.08624	0.4
123.00777	0.6
123.03500	1.0
123.04378	15.3
123.07996	0.6
124.03875	1.5
124.30016	0.5
125.02308	0.5
125.04266	1.1
134.03540	0.5
137.02327	0.6
137.12379	0.4
139.03845	0.4
140.28787	0.4
151.05008	0.6
152.01036	100.0
152.06145	1.3
153.01366	2.8
166.99709	0.7
167.03400	14.0
167.07059	0.8
168.06599	1.0
173.04448	1.7
180.83112	0.6
181.04893	0.7
183.07635	0.6
196.00082	7.7
196.03719	0.5
204.65500	0.6
211.02419	51.9
211.05859	1.7
212.02774	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0604
Annotation	Vanillactic acid
Peak:m/z	Relative Intensity
58.00462	3.2
59.01237	2.5
67.01744	0.9
69.03310	0.6
70.02832	0.6
71.01256	0.9
72.99160	5.6
73.02834	0.7
75.00732	25.8
77.03850	0.6
79.05386	1.2
79.95606	0.7
81.03307	5.9
87.00705	1.0
93.03310	6.0
95.01244	1.6
95.04869	1.9
96.95864	7.8
97.02788	1.2
97.06449	1.3
99.00755	0.9
103.00236	3.0
106.04110	2.0
107.04886	15.5
108.02031	1.1
109.02812	2.1
110.12266	0.6
111.04276	0.7
112.03909	1.0
112.89346	0.6
116.73906	0.5
119.04883	1.3
121.02819	78.5
121.06430	1.1
122.03152	1.8
123.00844	2.2
123.04382	100.0
123.08118	1.5
124.01522	2.1
124.03912	0.9
124.04733	2.7
133.02834	2.7
134.03586	0.6
135.04393	17.9
136.01593	0.7
137.02342	2.3
138.03113	1.0
139.03886	7.7
147.04411	0.9
149.05942	2.2
153.01811	0.7
153.05457	0.7
155.31865	0.6
155.58092	0.6
158.20284	0.6
163.03923	3.4
165.01817	13.9
165.05469	11.8
167.03401	74.5
168.03720	1.7
177.77765	0.6
179.03426	0.6
181.04942	4.3
190.02031	3.0
193.01366	0.7
193.04926	4.8
203.00969	0.6
211.02672	10.4
211.06055	65.8
212.01509	1.8
212.06392	2.6
228.25050	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0605
Annotation	Vanillactic acid
Peak:m/z	Relative Intensity
58.00443	4.2
58.95580	1.0
59.01227	3.7
72.99171	10.6
75.00729	37.8
81.03288	5.3
85.01129	1.2
85.02745	1.1
85.87537	0.9
93.03324	7.1
93.45748	1.1
95.76814	0.9
96.95883	1.0
103.00215	4.6
106.04092	2.2
107.04890	27.4
108.02048	1.8
109.02820	1.4
119.04865	1.3
121.02818	6.2
123.00716	2.3
123.04383	8.4
124.01517	3.8
131.04880	2.1
133.02806	3.5
135.04395	26.3
137.02255	1.4
138.03102	1.7
139.03906	2.3
147.04420	1.9
149.05946	2.7
153.01743	2.0
160.54543	1.2
160.88173	1.1
163.03902	6.4
165.05481	20.3
167.03394	3.3
167.06081	1.1
173.04506	2.0
181.04935	7.3
193.04991	7.4
211.06064	100.0
212.06432	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	211.0606
Annotation	3,4,5-TRIMETHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
56.94377	0.6
57.03303	1.0
59.01240	10.8
64.54547	1.1
65.03813	1.5
69.03297	1.3
70.02851	4.8
71.01218	2.7
72.99160	7.4
73.02818	4.6
73.03145	0.8
78.82451	0.7
80.02542	1.1
81.03302	2.9
81.06625	0.8
82.02837	2.3
82.41356	0.8
83.04877	2.2
84.04382	1.9
84.93781	1.0
85.02816	5.1
89.02289	1.0
91.73484	1.0
93.03313	11.7
94.02834	1.9
95.01244	1.5
95.03147	1.5
95.04899	1.8
97.02801	2.3
99.00749	1.1
100.03867	0.8
101.02294	2.2
105.03307	1.1
105.06984	1.0
107.04887	100.0
108.02032	13.5
108.04423	1.9
108.05202	1.9
109.02782	2.9
110.02341	1.4
111.04353	4.8
112.03291	1.0
112.03918	10.1
113.02353	0.9
117.03306	2.1
118.39501	0.9
119.04855	1.6
121.02834	5.3
121.06438	1.1
121.97375	0.8
122.03564	3.6
123.00700	2.0
123.04375	4.3
123.07996	3.0
124.01584	0.9
124.03902	4.0
125.02264	2.4
125.03416	2.7
125.04243	5.4
126.05459	0.9
127.04971	0.9
131.04883	3.3
133.02786	1.0
134.03609	19.0
137.02328	5.4
137.03217	1.0
137.05936	1.4
138.03076	1.5
139.03831	2.4
140.07021	1.3
141.01767	1.0
149.05969	15.8
150.01944	0.9
150.03110	13.4
151.03836	4.2
151.05008	2.7
151.07506	3.2
151.99927	1.5
152.01041	19.6
153.01646	0.8
155.03351	1.3
161.04465	1.1
163.03925	1.4
165.05435	9.2
165.06606	2.4
165.09044	1.4
166.91063	1.0
167.03391	6.0
167.07079	14.7
167.08292	1.1
167.10588	1.3
168.06522	4.1
173.04439	11.8
174.04848	0.9
178.02605	1.6
181.04895	1.1
183.07684	1.6
193.04916	20.3
193.06555	1.5
193.08652	2.7
196.00015	1.5
196.03650	3.0
211.02721	11.8
211.06030	89.1
211.07622	3.7
211.13344	2.3
212.06348	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	211.1334
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
58.07410	0.5
58.57017	0.5
59.01247	2.9
61.98680	0.7
66.36800	0.5
69.03296	0.8
71.01232	0.9
73.02773	1.0
82.02827	0.9
83.04868	1.1
85.02796	0.7
90.72390	0.6
93.03307	1.7
94.02868	0.7
95.01211	0.7
95.03163	1.7
97.02849	0.6
108.04412	1.1
109.02809	0.6
111.04374	1.4
112.03875	0.8
113.02264	0.7
123.08015	0.6
124.03897	2.2
125.02329	1.0
125.04241	2.7
137.02342	0.8
139.03836	1.3
149.05904	0.8
151.04941	1.3
151.06007	0.8
153.01749	0.7
156.93866	1.0
166.90953	1.0
166.93719	0.6
167.10612	1.1
167.14268	1.5
173.04446	2.3
183.13817	12.5
193.12331	3.2
211.07898	3.3
211.13347	100.0
212.13673	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	213.0762
Annotation	cantharidic acid
Peak:m/z	Relative Intensity
57.03315	2.6
59.01226	1.1
60.69767	0.9
63.10415	0.9
67.05380	2.3
69.03305	1.3
71.01237	2.1
71.04867	1.4
72.99175	1.6
91.72694	2.3
93.06973	2.2
95.08517	1.8
99.04362	1.5
107.08522	16.1
112.99758	1.1
113.00694	1.2
114.05531	1.7
123.05530	1.4
123.08033	2.9
125.09608	1.9
133.06451	2.5
139.07523	23.0
151.07526	24.7
155.06995	1.1
165.05469	1.6
169.02675	1.3
169.08604	100.0
170.08926	2.9
183.06551	4.2
213.07570	9.6
213.11215	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0762
Annotation	cantharidic acid
Peak:m/z	Relative Intensity
55.01743	0.7
57.03299	3.1
57.40806	0.5
57.76210	0.7
59.01235	0.7
63.90448	0.7
65.34288	0.6
67.05365	2.4
69.03304	2.3
71.04884	1.0
83.04842	0.8
93.06947	3.0
95.08504	1.9
99.04362	0.6
107.08527	17.9
121.06444	1.7
123.08018	4.3
125.09573	4.7
128.03445	0.9
133.06462	3.3
139.07530	22.8
151.07533	21.6
152.07835	1.1
169.08611	100.0
170.08981	1.9
183.06497	3.7
213.07634	9.5
213.14818	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.6
59.01226	1.1
60.69767	0.9
63.10415	0.9
67.05380	2.3
69.03305	1.3
71.01237	2.1
71.04867	1.4
72.99175	1.6
91.72694	2.3
93.06973	2.2
95.08517	1.8
99.04362	1.5
107.08522	16.1
112.99758	1.1
113.00694	1.2
114.05531	1.7
123.05530	1.4
123.08033	2.9
125.09608	1.9
133.06451	2.5
139.07523	23.0
151.07526	24.7
155.06995	1.1
165.05469	1.6
169.02675	1.3
169.08604	100.0
170.08926	2.9
183.06551	4.2
213.07570	9.6
213.11215	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1127
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
51.33488	0.6
51.46274	0.6
55.01755	1.5
57.03312	1.0
59.01237	2.7
62.26862	0.8
69.03316	6.4
71.03245	1.4
71.04880	100.0
72.05193	1.2
80.04917	2.8
83.04882	1.0
85.02785	0.9
87.00759	1.7
87.04391	3.0
95.04890	1.7
97.02811	10.2
97.06450	7.2
97.48798	0.8
98.03596	1.5
99.08002	1.9
101.10783	0.7
104.41666	0.7
113.09630	1.7
114.05487	3.2
114.35825	0.7
115.03880	20.9
115.07513	16.4
123.05536	3.4
123.08074	1.6
125.09591	6.4
126.06734	1.6
127.11162	49.8
128.03401	0.9
128.11496	1.1
141.09116	3.6
141.12711	1.8
143.10707	2.3
151.11192	9.3
169.06442	3.0
169.12247	91.1
170.12570	3.1
213.05672	1.9
213.09123	2.7
213.11208	23.0
213.14691	5.6
213.18796	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1126
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
50.95175	0.7
55.96709	0.5
57.03298	0.9
59.01243	3.9
59.75883	0.4
69.03315	0.9
70.96765	0.5
71.01230	1.3
80.02507	1.1
81.03302	2.6
83.04881	14.9
91.29312	0.6
91.72635	1.0
93.03333	1.0
95.04884	3.4
97.06445	11.3
107.04897	0.7
109.49224	0.5
121.06480	1.2
123.08018	2.3
149.09604	6.3
150.03116	1.3
151.11168	34.6
152.11394	0.8
152.91678	0.6
153.09087	0.9
162.04916	0.6
169.06439	2.2
169.12247	16.7
177.09105	1.4
194.92757	0.9
195.10190	27.2
213.01923	1.4
213.11261	100.0
213.18578	1.6
214.11571	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	213.1127
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
55.56754	0.3
56.69954	0.3
57.03340	0.5
59.01255	0.7
60.27612	0.3
69.03331	0.5
85.02805	0.3
91.73344	0.7
93.03322	0.4
95.04915	0.4
96.95930	0.3
97.06494	0.6
97.93464	0.3
107.04903	0.4
123.05504	0.6
124.27100	0.3
151.11174	13.1
152.91632	0.3
163.59435	0.4
165.05515	0.5
169.06535	2.1
169.12242	100.0
170.12576	2.8
194.92775	0.5
195.10167	1.1
213.01775	0.7
213.05539	1.0
213.09245	0.8
213.11237	14.6
213.14850	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	213.1491
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
50.96086	0.6
51.41933	0.3
59.01233	1.7
61.14547	0.4
71.04853	0.4
71.68578	0.4
75.57832	0.4
76.94695	0.5
77.97927	0.4
80.04887	1.3
81.63708	0.4
95.04891	0.5
107.04859	0.7
114.05486	1.1
123.05504	1.6
128.03386	0.5
137.09563	1.6
161.48389	0.4
169.06456	0.5
169.08588	0.7
183.13828	25.7
183.20723	0.5
195.13843	22.7
211.13219	0.5
213.01773	0.6
213.14914	100.0
214.15256	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	215.0919
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
55.18909	0.7
57.03287	0.9
59.00970	1.2
59.01242	14.0
65.74856	0.7
69.03289	0.9
71.01222	2.4
73.02798	5.5
75.35087	0.7
81.03289	1.2
83.04874	4.7
85.02777	1.0
85.06422	1.2
89.02277	1.1
93.02769	1.2
93.03323	17.2
97.06461	4.0
99.04372	0.9
101.02317	0.8
111.00725	0.8
111.04379	6.4
111.08028	1.3
123.08035	1.3
125.09586	10.0
129.05440	2.3
135.08011	1.0
137.02327	10.3
141.05467	1.0
141.09047	1.2
144.00839	1.0
149.84462	0.8
150.97523	0.8
151.07607	1.2
153.09097	39.6
155.03403	6.6
164.32137	0.8
169.08614	26.5
171.10178	12.2
197.08165	6.2
215.01074	5.1
215.03406	2.0
215.09200	100.0
215.12711	2.9
216.09586	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	215.0919
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
57.03265	0.7
58.63754	0.7
59.01233	4.8
65.14708	0.7
67.05372	2.1
71.01260	1.1
73.02806	19.9
83.04862	1.7
85.02452	0.7
85.02807	7.2
85.06448	2.0
93.03324	4.3
97.06426	1.2
121.06467	1.1
123.08027	16.2
125.09552	2.4
135.08023	4.4
137.02295	2.5
140.35817	0.9
141.04529	1.3
141.09091	100.0
142.09416	3.0
153.09096	35.3
155.03360	1.2
171.10168	97.7
172.10542	1.5
185.08125	16.8
185.23950	0.8
194.44565	0.8
197.08090	9.0
213.59564	1.0
215.00787	1.7
215.09196	40.9
216.09583	1.6
217.82246	0.9
232.86272	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0919
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
55.01762	0.5
56.10182	0.4
57.03323	0.8
59.01244	9.7
59.07634	0.4
59.37630	0.4
62.93337	0.4
67.05398	1.3
69.03293	0.7
71.01241	1.7
73.02803	20.3
73.50986	0.5
74.51642	0.4
81.03336	0.8
83.04886	2.2
85.02803	6.9
85.06441	0.5
87.00793	0.4
89.02292	1.0
93.03311	12.3
95.04848	0.5
97.02804	0.7
97.06413	3.1
101.02322	0.8
111.00700	0.5
111.04373	5.0
111.08003	0.9
115.07497	0.5
123.08018	3.1
125.02343	0.7
125.09595	3.1
135.08025	4.7
137.01289	0.8
137.02309	7.3
141.09090	56.8
142.09416	0.9
153.09102	28.4
155.03407	3.8
155.07021	0.9
169.08620	2.9
171.10168	100.0
172.10501	3.1
185.08113	15.4
190.74699	0.5
197.08084	4.8
215.00926	4.3
215.03418	1.3
215.05554	1.2
215.09184	25.5
215.16451	0.8
216.09442	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36065	1.3
52.75933	1.3
56.57834	1.1
57.03315	2.4
59.01243	87.7
59.02391	1.3
71.01246	10.5
71.04876	18.6
71.51968	1.5
71.66529	1.2
72.99144	5.9
73.02808	9.3
75.00700	1.9
81.03316	18.3
83.04880	66.8
85.02794	2.7
86.70541	1.8
87.04343	2.3
88.03902	24.8
92.74549	1.7
93.03297	4.5
96.95876	3.4
97.02804	7.4
99.00729	4.9
99.03732	1.9
99.04372	27.6
99.07996	3.8
109.02809	3.0
111.00716	7.0
111.04381	51.7
111.08010	4.2
115.03852	6.8
118.02880	2.1
125.02286	4.8
127.03850	9.3
129.05466	7.8
129.09062	10.4
130.04106	2.6
130.08603	8.7
131.03600	3.8
131.04868	5.9
131.08891	5.8
132.98062	1.9
134.02310	1.7
145.06476	14.3
146.05997	3.5
146.08102	13.4
155.03419	12.8
157.08606	9.5
158.03590	2.9
172.09694	1.9
173.04420	57.4
173.05937	16.2
173.08043	1.8
173.10123	4.3
174.05463	6.8
174.99205	10.9
175.09668	69.3
176.09993	2.3
180.44012	1.6
189.46764	2.0
197.73935	1.9
199.02405	54.0
199.09712	2.7
217.00197	6.8
217.03433	100.0
217.05006	6.8
217.06972	3.6
217.10745	23.1
218.04575	21.8
218.10213	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	217.0501
Annotation	2,7-Dihydroxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
59.00969	0.5
59.01243	7.7
70.52656	0.3
71.01218	0.4
73.78939	0.4
83.04874	0.4
87.00665	0.5
89.02294	0.4
97.06439	1.0
117.00535	0.5
121.02587	0.4
129.06970	39.7
130.07294	1.2
133.06479	1.3
139.07521	1.7
143.04857	0.8
145.02827	0.6
145.06433	1.0
147.04396	6.2
155.10687	2.1
157.08592	9.1
172.99553	0.9
173.05986	100.0
173.11685	1.2
174.06392	3.4
174.99147	1.3
189.01845	0.5
217.01715	0.6
217.05019	8.6
217.08649	1.2
217.10791	3.2
218.04691	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0712
Annotation	7-Hydroxy eucommic acid
Peak:m/z	Relative Intensity
55.00962	0.8
57.03300	4.0
59.01241	32.9
65.03818	1.2
66.55164	1.0
67.18826	1.0
69.03308	1.2
71.01246	5.4
71.04874	10.3
72.99164	2.5
73.02795	3.0
73.50383	0.8
75.19830	0.9
81.03309	8.2
81.06952	39.7
83.01237	1.8
83.04887	9.0
84.70831	1.0
85.02805	13.3
87.00733	13.6
88.03886	2.4
89.02312	1.4
93.06979	1.0
95.04896	1.6
96.04404	2.9
97.02802	2.3
97.06453	3.8
99.04372	38.8
99.07394	1.2
99.08018	16.2
100.04707	1.0
101.02259	1.1
102.05437	1.6
103.03866	0.9
107.04882	3.3
111.04356	2.1
111.08023	2.2
111.40672	0.9
112.98679	1.1
113.02305	1.3
115.00243	11.7
115.03828	2.0
117.05444	7.0
125.05982	5.9
127.03864	3.4
127.07444	1.1
129.01802	2.5
129.05420	1.4
129.09073	4.2
137.05989	1.0
140.03363	1.2
143.03369	3.9
155.07018	15.4
157.01335	9.6
164.43547	1.0
171.64009	1.0
173.08110	33.7
174.08479	1.3
175.02443	5.9
187.06088	1.2
199.06047	7.5
217.03513	4.6
217.07121	100.0
217.10645	3.1
218.04523	1.7
218.07413	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1076
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
51.95198	0.8
52.22252	0.3
55.22940	0.3
56.76167	0.3
57.03318	3.9
59.01244	4.0
62.67827	0.4
71.04883	2.0
73.02808	0.7
74.69939	0.4
81.03331	0.6
83.04881	7.5
83.05360	0.5
85.42511	0.3
88.03880	0.7
90.82415	0.3
94.32600	0.3
97.06462	1.2
99.00744	1.4
99.08030	1.0
103.25111	0.2
103.49422	0.3
109.06479	0.8
119.08488	0.3
127.10197	0.5
127.11157	11.7
135.08058	1.3
137.09599	20.4
138.09956	0.6
153.09102	1.3
155.10672	44.8
156.11008	1.3
171.10190	1.5
171.11430	0.3
173.11751	11.7
174.99139	0.7
181.08617	10.0
182.08870	0.3
197.08119	1.2
199.09692	52.2
200.10037	1.7
215.09157	1.8
217.02328	0.8
217.10767	100.0
218.04610	0.4
218.11122	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	217.1228
Annotation	Cinnamyl isovalerate
Peak:m/z	Relative Intensity
53.96233	0.3
54.39836	0.3
59.01244	7.1
74.12367	0.3
76.53912	0.3
83.04868	0.4
97.06445	4.1
101.72672	0.3
102.21329	0.3
106.04108	0.6
107.04911	1.9
109.02831	0.5
110.37569	0.3
119.04898	2.7
120.05635	0.4
121.08318	0.3
122.89381	0.3
123.02438	0.3
131.04900	5.2
132.05699	2.6
133.06474	8.3
134.07237	0.5
135.04375	0.7
135.08025	0.6
139.97318	0.3
144.05688	5.2
146.07281	0.7
157.06473	1.0
159.04422	5.5
160.05208	6.6
161.05972	11.4
162.06308	0.4
163.19275	0.3
172.05232	0.6
172.17737	0.4
173.05978	1.2
174.06688	0.4
174.99178	2.3
175.07568	1.1
184.08861	1.4
189.12840	0.4
194.25577	0.4
199.11200	2.7
201.09120	0.6
217.00256	2.0
217.12289	100.0
217.20630	0.9
218.12631	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	218.1029
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
58.79462	0.7
59.01245	3.1
64.03677	0.5
71.01240	11.6
71.04881	22.8
71.05276	1.1
88.03896	100.0
88.06223	1.4
89.04235	1.5
93.03335	0.5
94.03644	0.8
96.95846	0.7
99.04388	5.3
107.37895	0.6
109.02829	0.8
116.07009	3.6
125.02341	1.5
129.05435	1.5
131.03647	1.1
136.31131	0.6
137.02361	0.8
138.02661	1.3
141.97206	0.7
146.03661	0.7
146.08115	56.5
147.08473	1.2
163.48553	0.6
174.05521	1.2
175.03831	0.9
175.07541	0.8
218.04604	4.9
218.08366	1.4
218.10289	33.9
219.06645	4.5
219.10541	1.3
219.17516	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	219.0141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31331	1.7
53.00183	7.0
57.03299	2.7
59.01025	1.3
59.01248	17.3
60.99150	2.3
68.99671	20.8
69.03312	2.9
71.01240	55.5
72.99172	18.1
73.02803	5.9
75.00723	6.5
79.95591	9.8
80.99687	2.1
81.03305	1.7
83.01225	2.6
85.02789	8.2
86.03609	1.7
87.00722	15.8
87.04359	5.6
93.03323	2.0
96.95255	4.1
96.95872	75.9
96.99161	13.4
97.02792	3.5
97.99927	7.2
99.00728	31.0
100.49631	2.0
101.02284	5.8
108.02049	15.0
109.02805	16.6
112.98637	7.7
113.02300	25.7
115.00239	100.0
115.03801	2.5
121.93459	2.2
124.98701	9.9
125.02296	6.6
129.01811	26.0
130.02147	1.7
131.03371	9.8
133.02800	3.6
139.03853	5.9
142.99725	8.4
145.01266	2.6
149.02368	9.3
151.03813	2.1
152.01021	9.2
153.01804	3.3
157.01334	88.5
159.02893	4.8
173.00821	52.4
175.01495	7.1
175.03833	3.1
186.98759	19.1
191.03374	6.4
197.01012	61.8
197.51117	6.8
201.00308	10.2
204.04103	2.7
219.01346	76.5
219.02861	6.7
219.04988	16.0
219.06842	2.0
219.08409	2.7
219.10324	3.9
219.17523	30.4
225.00734	2.9
225.15002	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	219.014
Annotation	4-Carboxy-4-hydroxy-2-oxoadipate
Peak:m/z	Relative Intensity
53.00185	6.2
55.01753	1.0
57.03316	1.3
59.00969	1.1
59.01240	11.9
60.99151	1.1
68.23444	1.1
68.99675	23.0
71.01239	56.3
72.99165	16.5
73.02798	5.5
75.00738	4.6
79.95584	1.9
80.99690	1.6
81.03304	1.3
83.01254	2.8
85.02801	5.3
87.00731	12.1
87.04378	2.6
89.02287	1.9
93.38613	1.3
96.95872	21.4
96.99168	10.2
97.99963	6.9
99.00735	25.7
101.02291	4.0
108.02042	4.5
109.02821	4.6
111.04386	1.1
112.98673	6.8
113.02309	23.9
115.00238	100.0
115.03851	2.2
116.00564	2.1
124.98686	11.6
125.02307	3.2
129.01808	24.7
131.03397	4.0
139.03905	2.5
142.99754	7.2
152.01025	2.2
157.01320	90.2
158.01640	2.6
159.02847	1.7
170.42819	1.2
173.00824	55.2
174.01242	1.2
175.01543	1.7
186.98749	20.9
197.01013	18.6
197.51218	3.0
201.00363	7.8
219.01433	74.2
219.05029	8.8
219.17448	4.3
220.01794	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	219.014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75067	2.1
53.00185	6.0
57.64506	1.7
59.01242	22.2
68.99675	20.9
71.00874	4.3
71.01239	58.8
71.02792	2.0
72.99167	14.7
73.02812	7.3
74.92705	2.0
75.00738	5.4
79.95586	5.1
83.01246	5.2
85.02797	4.7
87.00729	16.3
87.04382	3.4
95.04899	3.0
95.92821	2.1
95.95030	2.5
96.95863	62.2
96.99170	10.2
97.02789	4.2
97.99957	6.1
98.95412	2.3
99.00739	29.4
99.04386	2.4
101.02315	3.3
108.02032	7.6
109.02824	13.3
112.98676	8.4
113.02305	23.0
113.05935	7.2
114.99432	5.3
115.00236	100.0
115.03880	8.0
124.01569	3.1
124.98677	10.0
129.01823	21.2
129.05544	4.5
135.21754	1.9
139.03883	12.8
142.99773	9.7
145.01291	2.4
149.02301	3.1
150.64131	2.3
152.01057	4.5
153.01831	2.6
157.01318	79.2
157.04968	3.6
159.02869	16.5
161.54247	2.3
164.43935	2.3
173.00818	52.5
185.96349	2.4
186.98746	18.3
197.01010	36.1
197.51202	4.1
198.58496	2.4
201.00369	6.3
201.03874	3.1
206.34813	2.4
214.76003	2.5
219.01421	67.9
219.05052	14.6
219.10414	3.0
219.17493	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00190	1.4
53.75255	0.7
53.97693	0.7
57.03322	4.2
59.01241	14.8
60.99173	1.1
66.57269	0.8
67.47126	0.7
68.99681	8.0
69.03313	10.1
71.00874	1.4
71.01241	20.3
71.04873	2.6
72.01579	0.8
72.99169	6.3
73.02804	6.9
74.98963	1.4
75.00726	3.2
79.03199	0.7
81.03313	7.6
83.00783	0.8
83.01237	3.8
83.04863	2.4
85.02819	4.4
85.06446	8.5
86.02320	1.0
87.00732	88.8
87.02885	1.5
87.04371	69.6
88.01051	0.8
88.03879	3.6
88.04705	1.3
88.98658	1.8
89.02303	0.8
93.03312	2.3
95.04878	8.3
96.99172	3.3
97.02811	4.0
97.99934	2.2
99.00744	12.9
99.04376	3.2
99.08013	4.8
101.02299	11.7
101.85476	1.2
102.05457	2.7
103.03846	2.0
109.02824	0.9
109.06454	1.8
111.00751	4.9
111.04356	1.2
111.08010	1.0
112.98663	2.9
113.01568	1.3
113.02317	17.6
113.05285	1.3
113.05956	10.3
114.99430	1.8
115.00243	36.8
115.03891	7.2
116.00562	1.3
117.97152	0.9
118.97961	19.1
122.02385	1.0
123.61037	0.9
124.01499	1.0
124.98679	3.7
125.02319	22.4
125.05963	1.4
127.06759	1.1
127.07531	10.7
129.01813	10.1
129.05457	8.6
131.03377	75.1
131.07274	1.1
139.03889	67.6
139.07480	1.2
140.04236	2.9
142.99748	3.8
145.01303	15.0
157.01323	28.2
157.04941	7.8
157.07533	2.2
157.08586	6.0
158.01634	1.0
159.02917	6.0
173.00819	22.5
173.04459	1.4
175.05997	2.5
175.07532	1.8
175.09708	3.6
176.07156	1.6
183.02922	1.2
186.98741	8.7
187.02408	3.1
191.00241	0.9
200.98663	1.7
201.00374	3.2
201.04016	6.6
201.05801	1.9
201.07605	7.8
203.46297	1.0
206.97379	0.9
218.99527	3.5
219.01591	26.6
219.05058	100.0
219.08623	39.8
219.17435	4.1
220.05518	3.2
220.09007	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1021
Annotation	CHEBI:68155
Peak:m/z	Relative Intensity
51.10476	1.5
59.01229	4.7
71.01243	3.2
75.00732	3.6
77.68884	1.8
81.99357	1.6
92.45383	1.5
93.03297	4.9
97.02756	1.7
99.04087	2.1
106.04126	2.0
117.03331	7.1
119.04874	7.1
121.02802	7.4
123.04353	2.3
126.39926	1.8
129.58754	1.9
134.03593	4.8
135.04376	3.9
137.02263	2.1
145.02834	4.8
147.04448	4.0
152.36182	2.0
158.03516	2.1
161.09616	3.7
162.03171	2.7
163.11191	22.7
175.07555	7.6
175.11197	29.1
179.10687	2.7
189.05524	4.8
189.09074	2.8
191.10701	95.4
192.11009	4.9
193.12268	66.6
194.12601	2.6
201.09181	8.3
205.08673	3.3
219.02968	9.0
219.06898	13.6
219.10222	100.0
219.17487	85.3
220.17789	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	219.1385
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
57.03319	17.9
59.01236	2.5
61.98685	1.9
63.36838	0.6
67.07022	0.7
69.03294	1.0
70.62986	0.8
83.04880	9.1
93.03324	1.8
95.04876	8.9
99.08012	56.7
100.08339	1.2
106.04104	1.5
107.04889	13.6
107.08566	1.0
109.06454	1.7
119.04900	8.6
120.05685	1.0
125.09590	96.3
125.13469	1.1
126.09870	1.6
127.07507	2.0
133.06462	3.8
134.03593	2.1
135.04396	1.4
135.08034	15.3
144.05690	10.9
147.04420	1.8
161.05998	2.3
162.03156	1.1
162.06709	2.4
163.11183	1.7
175.07578	1.6
175.11197	2.0
177.12769	3.3
186.10458	1.8
191.10736	4.1
191.14336	2.4
201.05504	1.0
201.12773	19.2
203.10785	0.9
204.11479	2.0
207.33012	0.9
219.06531	3.0
219.10246	10.3
219.13863	100.0
219.17226	18.6
220.14183	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	221.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38440	0.3
55.01752	7.7
55.94911	0.5
57.03335	0.6
59.00105	1.2
59.01241	74.8
59.02508	1.2
60.01590	0.5
60.70871	0.4
69.03301	0.5
71.01247	2.6
72.99198	0.5
73.02805	2.1
74.01939	0.9
74.02328	9.2
77.61402	0.5
83.01231	1.5
85.02802	2.6
87.00742	1.3
89.02325	1.2
94.02831	1.4
97.02841	0.6
101.02308	3.0
109.02845	0.5
113.02308	1.8
114.07936	0.5
115.05402	1.4
121.02834	0.8
122.03610	0.6
124.00877	0.7
124.03932	2.5
125.02333	0.7
131.03351	2.1
131.04898	9.8
133.02588	1.0
133.06465	100.0
134.06805	2.7
143.03319	0.9
147.04366	1.3
147.72102	0.5
159.04398	10.5
161.04477	6.1
167.07027	8.2
174.11719	0.6
177.05475	3.8
193.08604	1.6
203.03430	3.8
208.89328	0.5
221.04471	9.4
221.06548	2.6
221.08200	1.2
221.11775	1.6
222.07648	2.6
234.93625	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.045
Annotation	Sphagnum acid
Peak:m/z	Relative Intensity
53.87590	0.3
55.01752	7.2
59.01241	68.1
59.02466	1.2
71.01244	1.8
73.02808	2.4
74.02328	9.9
83.01237	0.8
85.02803	2.2
87.00725	1.1
89.02296	1.7
94.02831	0.6
99.88392	0.4
101.02305	2.2
113.02293	0.9
114.05571	0.4
115.05373	0.9
119.04913	0.4
122.03638	1.0
123.04366	0.4
124.03885	1.3
131.03357	1.4
131.04898	8.9
133.06464	100.0
133.10617	1.1
134.06828	2.9
143.03345	0.8
147.04384	1.2
149.05913	0.5
149.42247	0.4
158.03574	0.5
159.04404	11.8
160.04732	0.5
161.04436	5.6
167.07039	6.4
177.05450	4.4
193.08656	0.8
203.03432	3.3
221.04544	9.1
221.06520	1.8
221.08257	0.8
221.11771	1.8
222.04535	0.4
222.07639	2.9
222.11751	0.4
241.41576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0767
Annotation	9-Hydroxystreptazolin
Peak:m/z	Relative Intensity
52.69997	1.1
53.75075	0.9
55.83757	1.1
58.02561	2.1
58.02840	32.3
59.00977	1.2
59.01245	17.6
60.01577	2.7
63.49634	1.0
63.74998	1.4
63.99193	1.1
71.01207	1.2
72.97397	1.3
72.99166	99.6
82.04502	1.3
91.72798	1.5
91.73300	2.0
101.03856	1.4
104.04906	1.3
110.68751	1.2
114.92617	1.3
119.04898	10.3
119.74351	1.2
121.19682	1.2
124.03893	1.9
132.04433	4.2
134.05984	14.7
144.04411	4.1
146.05984	3.1
148.07562	17.6
162.05580	9.5
176.07091	44.1
180.06577	24.6
204.06598	16.2
222.07687	100.0
223.38593	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	222.0767
Annotation	N-Acetyl-L-tyrosine
Peak:m/z	Relative Intensity
50.97131	0.2
52.92222	0.3
54.01451	0.2
59.01244	7.1
60.01582	1.2
74.02332	100.0
74.03986	1.5
81.51721	0.3
85.02808	0.4
88.69740	0.3
95.52412	0.4
99.00744	0.4
124.03945	0.5
138.42320	0.3
147.04402	10.5
148.07591	0.4
162.05550	0.6
164.07042	0.9
174.88017	0.3
178.08665	0.9
222.07684	29.3
223.08060	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76805	0.6
53.00179	0.7
55.01742	2.0
57.03314	8.1
59.01242	29.0
68.99643	0.9
69.03306	0.9
70.99686	1.3
71.01237	57.3
72.99165	32.5
72.99577	1.5
73.02398	1.8
73.02803	36.6
73.21047	0.7
75.00731	9.9
80.99686	3.8
81.03323	1.3
82.45255	0.7
83.01247	5.2
84.02021	16.0
84.99117	1.2
85.00772	0.9
85.02806	53.6
86.03129	1.4
87.00731	26.0
88.01517	1.8
89.02299	22.4
96.99179	1.5
97.99939	2.4
99.00735	33.4
99.04376	12.5
101.02285	5.7
102.99612	1.0
103.00236	14.4
103.03858	1.8
105.01801	1.6
111.00742	23.9
112.01172	0.8
112.98678	10.1
115.00239	34.4
116.00558	1.2
117.01761	2.5
124.98695	6.4
125.02318	9.7
128.01012	2.7
129.01816	24.9
130.99730	1.6
133.01317	7.4
134.79951	0.8
140.21701	0.9
142.99741	8.3
143.03386	5.4
147.02892	8.4
148.99644	1.3
149.00810	18.3
161.00789	2.8
161.04469	6.8
187.02365	3.5
204.99840	100.0
205.03424	27.8
206.00212	3.6
206.03665	1.3
223.01003	26.4
223.04530	43.6
223.08133	2.4
224.04933	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	223.009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91924	0.6
53.00208	0.6
53.43401	1.0
55.01789	0.9
57.03321	9.2
58.00492	0.6
58.80304	0.7
59.00013	0.7
59.01244	26.9
64.98969	0.6
65.14386	0.7
67.01785	1.1
70.99618	0.9
71.00879	3.3
71.01240	59.4
71.02772	1.1
72.98788	1.8
72.99166	35.7
73.02409	1.7
73.02806	40.1
75.00339	0.8
75.00732	15.9
78.50496	0.6
78.95811	2.4
80.99664	3.8
81.03321	4.3
83.01244	7.7
84.02020	24.4
84.99238	0.8
85.00667	1.0
85.02805	59.6
85.04797	0.9
86.03178	1.0
87.00732	31.3
88.01573	2.7
89.02299	22.9
96.21863	0.8
96.96885	0.8
96.99223	1.9
97.02836	1.1
98.00021	3.1
99.00739	32.8
99.04373	18.2
100.04730	0.9
101.02305	7.3
103.00227	15.8
103.03891	3.5
105.01820	1.2
111.00745	23.5
112.98674	7.5
112.99318	0.7
113.02366	2.5
114.41895	0.8
115.00237	33.2
117.01848	2.4
124.98691	5.5
125.02317	15.0
125.03228	0.8
128.01039	7.0
128.01830	0.7
129.01808	33.3
130.02190	0.9
130.99750	1.3
133.01308	7.5
142.99739	8.8
143.03374	8.0
147.02882	10.6
149.00806	17.8
151.29550	0.7
161.00835	2.9
161.04463	10.4
168.97612	1.1
169.01373	1.5
171.54381	0.7
179.10745	1.2
186.98828	0.8
187.02408	3.4
204.99841	100.0
205.03448	38.4
206.00212	2.8
206.03836	1.2
208.53438	0.8
208.93431	1.3
222.98750	1.6
223.01024	28.6
223.04538	61.1
223.08116	3.1
224.04828	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43822	0.7
53.00198	1.2
53.89886	0.8
55.01742	1.9
57.03321	5.7
59.01242	28.5
60.52586	0.6
61.16648	0.6
68.99683	0.7
71.01240	57.2
71.02932	1.1
72.01581	0.7
72.99166	30.1
73.02805	41.5
75.00738	9.9
75.01123	1.0
80.99690	3.7
83.01253	4.0
84.02024	19.4
85.02294	2.0
85.02807	35.6
86.82742	0.7
87.00730	23.3
87.01246	1.3
88.01525	2.0
89.02298	21.8
93.79213	0.8
96.99203	2.1
97.99966	3.0
99.00738	30.4
99.04369	14.0
101.02332	4.2
103.00234	15.4
103.00872	1.4
103.03914	2.8
105.01808	1.6
111.00746	12.8
112.98665	8.8
115.00235	34.5
117.01799	1.1
124.98685	6.3
125.02348	2.7
128.01044	3.6
129.01805	13.3
130.99701	1.9
133.01292	8.1
142.99739	7.5
143.03375	5.2
147.02898	3.5
148.38449	1.0
149.00806	17.1
151.86470	1.0
161.00827	2.2
161.04477	8.2
187.02473	3.2
204.99838	100.0
205.03413	20.9
206.00221	2.5
206.03815	1.1
223.00958	29.9
223.04501	26.3
223.08195	2.4
223.10126	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44336	0.3
57.03315	0.6
59.01242	10.2
63.45895	0.4
65.03828	0.8
67.01751	1.0
71.01239	4.2
72.99155	0.4
73.02808	2.9
80.02522	0.4
81.03306	3.3
83.01254	0.5
85.02814	1.9
87.00731	15.8
89.02308	1.4
91.01762	3.2
91.05392	0.4
93.03317	1.0
93.06957	0.8
94.04110	0.4
95.01242	1.0
95.04884	1.3
97.02806	1.0
99.00749	0.5
101.02311	1.9
106.04083	0.6
107.01214	0.7
107.04890	4.0
108.02031	25.7
108.99588	0.7
109.02816	45.4
110.03117	0.4
111.00738	1.0
113.02307	1.3
115.00332	0.4
115.03888	0.9
117.06993	0.6
119.04912	3.7
120.05663	1.5
121.02819	0.6
122.03634	0.5
123.00738	2.9
123.04408	2.6
124.01532	2.1
125.02307	1.0
130.55580	0.4
131.03378	0.7
133.02831	1.3
133.06448	2.1
134.03627	0.7
135.00766	1.5
135.03505	0.4
135.04393	9.0
135.08031	19.5
136.01538	1.6
136.08411	0.4
137.02319	1.5
137.05963	0.4
143.03351	0.4
145.91676	0.4
149.00728	0.4
149.02298	0.4
150.03145	0.7
151.03896	100.0
151.08583	1.3
152.04243	2.7
153.01819	8.2
161.02298	1.5
161.04446	0.4
163.00319	0.5
164.00995	0.5
177.01848	2.2
179.03418	17.9
179.07028	17.8
179.08627	0.7
179.10632	0.5
180.03777	0.4
195.02913	38.1
196.03246	1.3
201.22697	0.3
204.99744	0.9
205.01378	2.0
223.02454	19.7
223.06067	4.3
223.08211	9.4
224.02895	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00172	1.3
54.26728	0.7
55.01744	2.5
57.03075	0.9
57.03318	11.4
58.00464	1.1
59.01245	32.0
59.40052	0.7
67.01736	1.6
68.99662	1.2
70.99723	1.4
71.01241	67.0
72.37528	0.9
72.99167	46.2
73.02398	2.1
73.02806	38.9
75.00733	17.5
76.50542	0.9
78.95751	1.8
80.99665	3.9
81.03296	2.4
83.01251	7.0
84.02026	32.4
85.02809	75.8
86.03138	1.3
87.00736	32.6
88.01504	4.0
89.01758	1.6
89.02297	24.0
96.99181	1.4
97.99949	4.0
99.00744	34.3
99.04379	24.3
100.04718	1.1
101.02306	7.9
103.00230	13.2
103.03901	4.8
111.00743	32.8
112.98677	10.7
113.02343	1.5
114.99433	1.8
115.00240	35.7
117.01798	2.1
124.98662	8.2
125.02313	10.6
128.01070	5.0
129.01820	33.9
130.02119	0.9
130.99707	1.4
133.01279	7.4
141.05513	1.0
142.99757	7.3
143.03400	8.4
147.02882	11.5
149.00812	17.2
161.00822	2.3
161.04451	15.6
186.98755	1.1
187.02419	4.2
204.99846	100.0
205.03468	44.3
205.05421	2.1
206.00169	3.4
206.03793	2.0
223.01059	25.2
223.04544	60.5
224.04887	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	223.0607
Annotation	cis-sinapic acid
Peak:m/z	Relative Intensity
54.82829	0.7
59.01241	16.9
66.40238	0.8
67.01743	3.1
71.01238	1.3
71.13823	0.7
72.76700	0.8
75.91219	0.9
79.05383	1.4
80.02525	1.1
81.03323	1.1
85.02810	1.4
89.02285	1.2
92.02530	1.0
92.93153	0.9
93.03318	1.5
93.06978	5.7
94.04102	2.1
97.02811	1.1
101.02288	0.9
106.04097	1.4
107.04878	6.6
108.02054	2.7
109.02815	1.3
117.06982	4.3
119.04903	18.9
120.05697	9.7
133.06467	10.5
134.03621	3.6
134.57988	0.9
135.04433	7.7
135.08035	100.0
136.08351	1.5
137.02293	4.8
150.03136	1.2
151.03902	1.0
163.06018	2.1
179.07045	95.6
180.07356	1.7
223.02505	2.8
223.06078	19.6
223.08087	2.0
237.96117	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0607
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
51.20359	1.0
54.44550	1.2
59.01242	18.0
59.24682	1.1
59.44669	1.1
60.32420	1.3
69.98454	1.3
71.01232	4.1
71.06305	1.1
73.02809	2.0
81.91203	1.2
82.02785	1.3
85.02792	4.6
87.00733	20.3
91.05386	92.4
97.02830	1.6
99.00732	1.4
101.02313	1.4
111.00708	1.6
114.96470	1.5
115.00212	1.6
117.06964	19.2
129.01820	1.9
133.06470	37.4
135.04395	4.6
139.40604	1.3
151.17555	1.4
161.05974	51.3
163.03908	79.2
164.04169	1.7
179.07072	6.3
193.01466	2.1
204.99895	3.3
205.05109	3.0
221.00829	4.2
223.02463	11.7
223.06091	100.0
223.07968	4.7
235.03761	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	223.0607
Annotation	cis-sinapic acid
Peak:m/z	Relative Intensity
50.07809	0.8
54.81625	0.5
59.01239	7.4
65.00178	1.5
71.01240	3.6
73.02810	1.5
85.02814	1.6
89.02296	0.8
89.03822	0.7
93.03316	21.8
93.03913	1.1
94.10538	0.6
99.33030	0.6
101.02322	1.8
107.04910	2.0
109.02843	1.4
111.40768	0.6
113.02331	0.7
117.03355	1.9
119.04903	1.7
121.02816	44.5
123.00755	0.6
134.03610	52.6
135.04414	12.1
136.01572	1.0
137.02306	2.7
148.01549	1.7
149.02327	77.8
150.02679	2.7
151.03905	2.1
152.01030	15.1
161.05917	1.2
163.03906	19.1
164.04692	28.7
165.01830	12.3
165.04927	0.9
167.03409	2.9
169.04953	7.0
179.03409	0.8
179.07062	13.9
179.10678	1.3
193.01350	64.4
194.01874	1.5
207.02908	1.1
208.03712	100.0
209.04004	4.0
223.06111	40.5
223.08202	4.7
224.06528	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0971
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
57.03275	0.5
59.01187	9.7
61.01610	0.4
71.01231	2.0
71.11388	0.4
73.02750	1.8
74.02285	0.4
85.02767	1.6
89.02270	0.7
91.72772	0.8
92.02495	0.9
93.03289	0.6
97.02792	0.7
101.02243	1.6
106.04096	3.0
107.04819	1.2
108.01966	0.6
109.02790	0.7
113.02261	0.6
115.03867	0.4
119.04903	2.0
121.02832	3.2
121.06454	1.2
146.94847	0.7
147.08025	0.9
149.09627	2.0
157.07420	0.4
159.08038	2.1
161.09587	1.0
163.06029	0.9
175.07491	0.8
177.09116	24.8
178.09439	1.2
179.04070	0.8
179.10684	100.0
180.11047	3.1
223.09772	54.9
224.10094	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	223.1335
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
51.26409	0.5
57.03307	1.0
57.34431	0.4
59.01243	20.3
61.01668	0.5
71.01257	2.9
73.02799	1.9
75.02963	0.6
78.04633	0.4
85.02804	2.0
89.02308	1.3
97.02792	0.9
99.08019	4.3
101.02331	2.5
113.02287	1.0
121.06454	4.4
151.03943	0.7
161.13235	0.7
163.06027	1.9
163.11200	1.3
179.07280	1.1
179.14325	100.0
180.14682	3.1
223.02516	1.1
223.06067	1.3
223.08095	7.0
223.13332	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	223.1335
Annotation	Annuionone A
Peak:m/z	Relative Intensity
57.03311	1.3
59.01245	20.3
67.63604	0.6
69.03320	4.7
71.01236	4.5
71.04881	1.6
72.46533	0.6
73.02790	1.9
78.19483	0.7
83.04885	1.1
85.02801	2.7
85.06448	1.7
89.02267	1.5
93.03252	0.7
95.04897	0.9
95.20863	0.7
97.02794	1.1
101.02292	2.3
109.06465	1.5
113.02312	1.5
125.09605	1.1
135.11642	0.7
138.52464	0.7
140.29025	0.8
141.01518	1.6
147.85863	0.7
149.09532	1.4
161.09543	0.8
161.13284	1.0
163.06042	1.0
165.36987	0.7
166.06306	1.7
167.10690	9.1
177.12796	0.9
179.10748	3.7
179.14313	9.2
195.13837	24.6
196.14162	1.1
205.12297	20.9
223.06087	1.7
223.08215	9.7
223.13358	100.0
224.13809	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	225.0036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34153	0.3
59.01236	1.3
65.00192	0.4
65.03820	1.1
71.01247	0.5
72.99196	0.4
81.03313	6.2
82.03665	0.4
89.02295	0.7
91.01746	2.8
93.03308	3.2
96.95886	1.0
99.08014	0.4
100.70012	0.3
107.01212	0.7
107.04871	0.8
108.02030	12.0
108.99977	0.7
109.02815	71.3
110.03183	1.3
114.01324	0.3
119.01235	0.8
119.04942	0.4
121.02814	0.6
121.66679	0.3
123.00681	0.4
125.02353	0.6
135.00763	0.9
135.04401	0.6
136.01555	5.5
136.98428	1.0
137.02322	100.0
137.06859	1.1
138.02647	2.7
139.00252	0.5
153.01826	27.7
153.12704	0.4
154.02187	1.0
160.03946	1.1
163.00247	1.0
163.03931	0.4
165.01910	0.4
178.99767	0.5
179.05554	0.6
181.01340	33.5
181.12271	0.4
182.01649	0.5
193.07140	0.5
210.01680	0.6
225.00345	2.3
225.03896	0.5
226.03851	0.7
244.24713	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40155	0.4
59.01239	1.8
62.85773	0.5
65.03833	0.9
71.01244	2.3
71.34986	0.5
72.99178	0.8
73.02802	1.0
75.11732	0.5
77.01182	0.7
81.03321	4.9
84.02023	0.8
85.02809	2.1
87.00732	0.8
89.02295	1.1
90.20420	0.5
91.01757	2.3
93.03316	2.9
96.96822	1.1
99.00738	1.4
99.04355	0.6
101.02319	0.9
107.01265	0.7
108.02029	11.5
109.02817	74.1
110.03151	2.0
111.00785	0.8
119.01276	0.7
125.02329	0.8
131.67973	0.5
136.01538	5.5
137.02324	100.0
138.02675	2.7
153.01825	26.1
154.02132	1.1
161.04520	0.8
177.36406	0.7
181.01337	36.4
182.01683	0.8
193.07085	1.5
207.00424	2.8
207.03990	1.2
209.90488	0.6
225.00514	2.4
225.04961	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0764
Annotation	Isochlamydosporol
Peak:m/z	Relative Intensity
50.32254	0.7
57.03319	0.8
57.37119	0.4
59.01245	1.3
63.37854	0.5
66.79530	0.5
69.03314	0.6
71.01265	1.0
75.00723	1.5
79.83517	0.5
83.04886	4.8
101.42705	0.6
108.02052	0.8
109.02832	2.4
117.06960	1.3
119.04900	0.7
119.08540	6.4
125.02380	0.7
133.06487	1.3
135.04416	0.9
135.07021	1.2
135.08034	22.8
137.02336	1.4
137.09598	5.1
141.09653	0.6
151.07526	19.7
163.03932	0.6
163.07538	5.1
179.05524	0.6
181.01640	1.3
181.08617	100.0
182.08952	3.4
207.03058	0.6
209.90450	0.9
225.03970	2.0
225.07632	29.7
225.11209	1.2
234.92300	0.6
246.81337	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0764
Annotation	Isochlamydosporol
Peak:m/z	Relative Intensity
50.32239	0.7
55.67260	0.4
57.03314	0.5
59.01254	0.8
69.03336	0.4
71.04887	1.5
71.27543	0.4
81.03310	0.5
83.04875	3.0
91.14003	0.4
93.03310	5.1
95.04920	1.3
99.08029	0.4
106.04158	0.9
108.01980	0.5
109.02830	2.1
109.06454	6.2
117.06965	1.8
119.08533	3.0
121.02823	23.7
121.06474	2.3
122.03619	0.7
130.08572	0.5
135.08011	3.9
137.02325	1.7
137.05968	0.5
137.09602	15.4
148.01572	0.9
149.02328	22.2
150.02704	0.5
151.03915	0.6
152.01039	0.6
153.01808	1.3
163.07538	6.1
165.01839	0.7
179.03381	0.7
181.05276	3.3
181.08624	100.0
182.08948	2.8
184.48558	0.5
193.01350	15.7
194.01730	0.6
207.02885	1.3
209.90465	0.9
225.04381	3.1
225.07646	30.6
226.07938	0.8
233.31972	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74569	0.2
57.03318	5.7
57.03592	0.5
59.01242	0.8
59.53899	0.2
67.50919	0.2
70.16206	0.2
71.04878	7.0
71.05270	0.5
80.02547	0.9
81.03326	0.3
83.04881	2.7
86.32232	0.3
91.73347	0.3
93.03313	0.6
94.04094	0.6
95.04890	4.2
97.06441	0.6
107.04877	1.7
109.02806	0.3
109.06454	24.6
110.06813	0.6
117.06917	0.4
119.04902	0.7
120.05634	0.4
121.02812	0.6
121.06455	1.4
122.03608	7.5
133.06462	0.7
135.04439	0.6
135.08034	15.0
136.05229	0.3
136.08380	0.4
137.02332	1.1
137.06038	1.5
137.09601	100.0
138.09937	2.9
148.05244	0.3
150.03113	1.4
163.03882	1.0
163.07562	1.0
164.04706	1.0
165.05492	1.9
166.02621	11.1
179.07069	1.0
181.01971	0.8
181.05145	6.0
181.08620	76.2
182.08978	2.0
225.04008	1.1
225.07646	25.6
226.07986	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15252	0.2
58.30985	0.3
59.01252	0.2
62.55674	0.2
72.68403	0.2
88.14905	0.2
89.40521	0.2
93.03308	3.3
95.01213	0.3
109.02809	0.8
114.27581	0.2
120.99241	0.6
121.02820	49.9
122.03089	1.0
123.04409	0.4
123.75511	0.2
134.94162	0.2
135.04396	3.7
137.02354	0.3
151.03851	0.3
153.12785	0.4
162.88719	0.2
166.00404	1.0
166.06255	100.0
167.06584	2.6
173.03183	0.2
181.05032	0.7
181.08617	6.3
209.90344	0.2
209.97052	0.3
210.05281	20.4
211.05688	0.7
225.00441	0.7
225.07645	52.8
226.07986	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	225.1127
Annotation	(?)-12-Hydroxy-jasmonic acid
Peak:m/z	Relative Intensity
50.33156	0.7
53.95590	1.6
59.01245	2.7
69.32074	0.4
71.01243	1.2
71.04896	0.7
73.01449	0.5
73.02818	0.5
81.03314	0.5
83.04910	0.7
87.00742	0.8
92.99689	1.7
93.03294	2.6
96.47762	0.5
97.02803	10.2
97.03376	0.9
97.06454	0.8
99.00719	3.4
108.02045	0.5
109.02800	1.0
109.06449	2.6
110.03590	4.9
111.04384	1.2
113.02314	0.5
114.05488	0.6
121.02820	3.4
121.06416	0.5
123.04395	1.6
123.08100	0.6
125.02264	0.8
125.09575	1.1
135.04356	0.6
135.08052	2.1
136.05196	1.5
142.02602	3.4
142.03535	0.7
151.03975	0.8
151.07504	0.7
161.04489	0.6
161.09630	0.7
163.03860	1.6
163.11189	11.9
164.98152	1.8
165.01837	7.7
177.01732	0.6
179.05534	1.9
181.04977	0.9
181.12247	34.2
182.12604	0.8
197.11755	2.0
198.70116	0.5
203.41959	0.5
207.02856	1.2
207.10204	70.2
208.10577	2.6
225.03967	6.0
225.11275	100.0
226.08681	1.3
226.11623	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.092
Annotation	(+)-cyclopentanecarboxylic acid
Peak:m/z	Relative Intensity
50.83072	0.9
52.62133	0.7
57.03298	1.9
59.01228	2.4
60.70758	0.7
60.89909	0.6
69.03305	1.0
71.01225	2.9
71.04877	1.2
72.99162	100.0
73.00763	1.8
73.02808	1.7
73.11684	0.7
73.99530	0.7
75.00356	0.8
75.00722	4.8
81.03327	1.0
83.01239	1.4
83.04855	1.6
84.01997	0.8
85.02785	1.0
93.03312	1.6
97.02814	1.6
98.02388	0.9
99.00721	3.8
99.04385	1.2
101.02303	0.8
103.92501	0.9
107.04861	0.8
109.01527	1.9
111.00738	3.2
112.98667	4.7
113.05937	3.0
116.07034	2.4
117.19926	0.9
121.06477	1.0
121.93436	0.7
122.03551	1.3
123.07997	1.1
124.01513	2.0
125.05975	1.1
128.03331	1.2
129.01788	1.1
136.05202	1.0
137.02376	1.0
137.05927	1.7
137.09592	1.9
138.06735	2.7
139.07529	3.9
139.11121	2.2
141.09068	0.9
150.06929	0.9
151.07552	5.4
152.08330	4.4
153.09094	3.3
165.05460	0.9
165.09100	12.7
173.00766	1.2
173.61089	0.9
181.08340	0.8
183.02946	1.7
183.10178	63.6
184.10577	1.1
209.08089	4.3
226.99557	1.8
227.01669	1.5
227.05499	3.2
227.09203	82.5
227.20056	5.2
228.09323	3.2
243.47227	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0921
Annotation	(+)-cyclopentanecarboxylic acid
Peak:m/z	Relative Intensity
52.82141	0.6
57.03300	3.5
59.01234	0.9
60.99171	0.8
61.65020	0.6
64.38857	0.8
72.99155	1.2
73.02804	1.1
80.54014	0.7
83.04842	1.0
95.04861	1.8
96.95854	1.9
105.91666	0.7
109.06454	10.3
113.05951	4.5
130.78435	0.8
131.93748	0.8
135.08040	6.9
137.09598	91.1
138.09917	2.4
139.11177	12.1
149.00813	0.7
157.12242	1.0
159.97311	1.0
165.09102	6.6
167.43387	0.8
183.10184	100.0
184.10486	3.5
227.07201	1.7
227.09192	40.5
227.12781	1.5
227.16544	1.3
227.20203	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	227.092
Annotation	(+)-cyclopentanecarboxylic acid
Peak:m/z	Relative Intensity
50.83046	1.2
50.83258	0.5
57.03319	0.9
59.25204	0.3
60.99157	1.1
85.66084	0.3
90.73711	0.3
113.05205	0.5
113.05947	7.4
123.04017	0.4
137.09598	2.0
138.98378	0.4
139.11160	4.1
150.75504	0.5
154.80717	0.4
165.09106	8.4
183.10182	100.0
183.16710	1.1
184.10506	3.5
227.09212	46.8
227.20094	0.8
228.09607	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	227.1285
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.83987	0.6
53.27436	0.3
57.03340	0.3
82.69513	0.3
83.60834	0.3
90.94757	0.4
111.08029	1.0
122.95094	0.4
133.69308	0.4
136.00089	0.3
157.56236	0.4
165.12759	18.0
166.13048	0.5
183.13824	100.0
183.20065	0.9
184.14175	4.8
186.70692	0.3
209.11792	2.2
211.90094	1.9
219.49823	0.4
221.49153	0.4
227.03432	0.6
227.12845	20.5
227.20041	2.5
228.13126	0.8
242.30463	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50109	5.3
57.03338	6.0
63.76460	4.5
68.62280	4.7
70.27031	5.8
72.11156	4.8
78.95759	100.0
82.02859	6.2
82.11686	5.2
87.00742	94.8
96.96822	86.9
96.97382	7.4
99.00778	8.5
102.05508	8.1
112.98711	18.2
113.03489	5.7
114.05490	21.7
138.97929	8.4
142.97437	17.2
151.02460	6.2
155.76447	5.3
166.97507	10.0
183.21634	5.3
194.45746	6.5
207.05931	6.5
211.00148	8.6
228.97543	8.0
229.01169	17.4
230.06760	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1229
Annotation	2,7-dihydroxycadalene
Peak:m/z	Relative Intensity
51.33206	0.2
52.06366	0.1
56.57779	0.1
60.50459	0.1
64.32668	0.2
91.73299	0.1
97.88520	0.1
115.05507	0.1
122.03607	0.2
125.03046	0.1
131.04869	0.2
144.05658	0.1
145.06532	0.1
157.01219	0.2
157.06476	12.4
158.07224	0.8
159.04312	0.1
163.78873	0.1
168.06233	0.1
170.98523	0.1
171.04416	10.0
171.09634	0.2
172.04884	0.4
184.99165	0.3
185.05989	35.3
186.06761	10.3
187.07179	0.5
188.04739	0.1
189.05553	0.2
199.07596	0.3
200.04703	0.3
201.05467	0.2
218.05855	0.6
229.02946	0.9
229.12294	100.0
230.12636	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	231.087
Annotation	Jioglutin C
Peak:m/z	Relative Intensity
55.01742	1.0
55.45139	0.7
57.03313	11.1
59.00977	0.8
59.01240	12.4
69.03309	3.5
71.01245	3.6
71.04877	25.0
73.02807	5.0
73.25100	0.6
74.62390	0.6
81.03297	1.5
83.04877	6.1
85.06425	3.4
87.04369	1.4
95.04890	8.7
95.29508	0.8
96.95849	1.3
97.02815	2.2
97.05845	1.3
97.06449	20.4
98.06864	0.8
99.00753	3.6
99.04360	2.1
101.02304	18.6
107.08537	8.1
109.06455	5.0
109.13766	0.6
110.03609	1.8
111.04372	2.2
112.05159	0.8
113.02295	0.9
113.05937	1.0
115.03867	10.9
123.04374	2.9
123.08021	6.1
125.09585	14.5
126.89259	0.7
129.05455	0.9
133.06432	1.1
141.05429	3.3
142.02589	1.1
151.07539	37.8
152.07800	1.5
153.01871	0.8
157.08531	1.1
159.04292	0.9
167.06952	1.1
169.08607	62.1
170.08890	1.3
171.06519	0.7
187.09651	3.9
195.06534	6.3
213.07634	39.3
214.07909	1.6
224.30035	0.8
228.89594	1.1
231.08701	100.0
232.09070	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	234.1495
Annotation	Huperzine W
Peak:m/z	Relative Intensity
59.01244	4.5
60.01574	1.3
77.53116	0.1
87.85011	0.1
93.03304	0.4
94.03635	0.7
116.06659	0.2
130.54590	0.1
149.09462	0.2
149.30661	0.2
151.07550	0.2
173.04456	0.4
174.04851	1.1
178.83189	0.1
179.07039	0.7
183.68834	0.2
189.12839	0.2
204.15125	0.4
207.13840	0.3
218.11813	2.6
219.12567	1.2
223.87074	0.2
234.05669	0.9
234.14964	100.0
235.15305	4.3
251.11664	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	235.0245
Annotation	2-Carboxy-2-hydroxy-8-carboxychromene
Peak:m/z	Relative Intensity
59.01239	2.5
60.01583	0.4
61.01656	0.4
71.01221	0.4
80.06431	0.3
85.02866	0.3
94.02847	0.7
102.45467	0.3
108.79366	0.3
111.72845	0.3
116.06808	0.3
116.66647	0.6
119.04882	0.4
127.36892	0.3
146.99878	1.1
147.04404	100.0
147.09560	0.8
148.04756	3.6
191.03427	42.7
191.10918	0.7
192.03780	1.5
192.06612	0.4
235.02440	3.5
235.05911	0.4
235.09731	0.4
258.79626	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0244
Annotation	2-Hydroxy-3-carboxybenzalpyruvate
Peak:m/z	Relative Intensity
59.01246	2.8
59.47800	0.2
60.01574	0.4
61.01667	0.4
79.92578	0.2
81.43798	0.2
83.17795	0.2
89.03825	0.8
91.05389	4.2
93.03313	2.5
93.03854	0.3
94.02859	0.7
94.03580	0.2
96.95866	0.3
101.03828	0.4
116.98685	0.2
117.03342	1.6
119.01540	1.2
119.04891	100.0
119.08662	1.0
120.05215	2.6
121.02823	0.5
129.03329	0.3
132.58980	0.2
133.97702	0.2
134.03627	0.3
135.04398	4.5
145.02821	0.6
147.04405	17.1
148.04741	0.6
151.29822	0.2
161.02356	0.5
162.03065	0.6
163.03912	6.3
173.04579	0.2
174.03206	0.3
174.04938	0.2
175.04988	0.3
179.03410	19.4
180.03777	0.5
191.03412	3.3
191.10718	0.5
217.01422	0.5
217.06192	0.3
235.02463	4.3
235.06038	0.3
235.13472	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1336
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
55.28779	0.9
57.03072	1.2
57.03315	16.3
59.01245	7.2
60.01561	1.0
61.01649	2.2
62.95316	0.9
67.63191	0.8
71.04868	3.6
81.03263	1.3
83.04865	1.8
85.05676	1.2
85.06439	16.8
91.72749	1.0
93.03290	1.6
94.02831	2.6
97.02801	3.7
97.06436	5.6
99.05099	1.2
99.08015	100.0
99.10596	1.8
100.08338	1.6
107.08512	4.0
113.09583	11.8
131.04884	2.8
133.06471	5.2
137.09482	1.7
162.10379	1.7
163.11115	1.0
175.11069	1.1
189.12764	13.7
191.14339	50.2
192.14755	1.4
217.06203	2.8
233.11745	2.0
235.09694	2.4
235.13365	53.5
236.13710	1.4
248.52771	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10183	0.4
55.52943	0.4
57.09661	0.4
57.97427	0.9
59.98956	0.4
60.29681	0.4
63.94864	1.5
63.96101	98.9
63.97538	1.6
71.01237	0.7
72.04389	0.5
79.93854	1.3
79.95590	100.0
79.97585	1.3
81.03320	1.0
99.08003	2.2
101.05928	0.9
107.04906	1.2
109.06455	0.6
116.02127	0.7
116.05262	43.3
116.08769	0.5
117.05583	0.9
121.02847	0.8
125.02320	0.5
126.12750	11.2
127.53051	0.5
134.03613	1.3
135.04416	1.2
136.05153	3.1
137.02287	0.6
139.11142	1.8
152.04709	1.6
153.67113	0.7
165.12785	0.7
170.11749	1.4
172.13329	11.4
175.11163	1.4
178.09911	1.4
188.11064	21.9
189.11273	0.5
191.10687	1.5
192.06552	0.7
193.12256	14.2
219.10217	1.5
220.61505	0.5
236.09596	75.0
237.11418	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	237.0071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.4
59.01234	1.9
66.03361	0.6
68.66695	0.5
69.82973	0.5
71.01239	31.3
72.99145	1.5
73.02809	1.2
73.89587	0.6
74.02317	0.7
74.98959	1.3
75.00724	1.9
81.21752	0.4
83.01254	0.7
83.47326	0.5
84.02023	5.0
85.02818	3.1
85.34639	0.4
87.00732	5.0
88.03877	0.9
89.02281	2.8
90.98436	0.5
94.02845	1.4
94.38220	0.5
97.02819	0.5
99.00747	2.4
99.04370	3.0
101.02278	0.6
105.00020	9.2
105.03033	0.4
105.03646	3.3
108.04468	0.6
111.00760	0.8
114.96619	0.7
115.00235	71.0
115.03484	0.9
116.00546	1.3
116.15693	0.5
120.99519	100.0
121.03063	1.6
121.99826	0.9
124.03661	0.5
127.46699	1.0
129.01796	2.2
143.03342	0.7
148.99031	6.3
149.02684	2.7
149.84656	0.5
157.08597	0.5
159.02823	0.8
170.09550	0.5
193.12303	1.3
204.99838	3.5
205.03500	0.9
237.00699	14.1
237.04274	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	237.0069
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99446	0.4
59.01237	2.8
68.29351	0.3
68.79339	0.3
69.86713	0.3
70.99683	0.6
71.01237	33.1
72.01589	0.6
72.99165	3.5
73.02805	5.2
75.00747	0.7
80.99691	0.6
85.02806	0.8
87.00737	2.0
89.02290	3.7
93.03315	0.5
96.95879	0.8
99.00739	4.7
103.00226	1.0
105.00017	9.1
109.02783	0.5
112.98675	1.6
114.61849	0.3
114.96997	1.2
115.00232	76.7
116.00568	1.3
117.22318	0.4
120.96056	1.3
120.99516	100.0
121.99841	1.3
124.98666	1.2
127.46671	0.5
129.01764	0.4
133.01268	0.7
136.05138	0.5
142.99767	1.5
148.99025	6.3
149.02396	0.6
149.58208	0.3
193.01555	0.4
193.12303	3.5
200.55203	0.3
204.99835	16.0
206.00264	0.5
237.00703	14.0
237.11218	1.8
238.01044	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00168	1.8
55.01736	1.8
59.00980	0.7
59.01243	9.9
62.18996	0.5
69.81728	0.5
71.01240	56.0
72.99165	23.2
73.00864	0.7
73.02802	31.4
75.00726	2.2
80.99676	6.0
84.99145	0.8
87.00735	9.4
88.14198	0.6
89.02295	19.5
96.95885	1.3
96.99154	2.0
97.99940	3.7
99.00738	28.7
103.00242	5.1
110.19434	0.6
112.98665	11.2
115.00233	44.0
116.00531	0.9
120.99529	4.9
124.98668	7.4
127.40389	0.6
129.01793	0.8
133.01303	2.9
142.99733	8.6
149.00784	1.7
157.01302	0.8
161.00772	2.0
168.97658	0.7
179.00150	0.8
186.98763	1.2
193.12268	1.6
204.99835	100.0
206.00211	2.0
208.19313	0.6
224.85928	0.6
233.09903	0.6
237.02507	1.6
241.00302	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0402
Annotation	6,8-Dihydroxy-5,7-dimethoxycoumarin
Peak:m/z	Relative Intensity
59.01248	0.4
63.82538	0.2
65.74076	0.3
67.84583	0.3
71.01230	0.4
79.05255	0.3
81.03325	0.3
91.72789	0.4
93.03316	0.8
99.08038	0.4
106.04109	1.5
107.04906	0.4
109.02843	0.3
111.00752	0.9
121.02817	2.3
133.02827	7.5
133.99380	1.1
134.03607	100.0
135.03929	1.9
136.05174	1.0
137.02312	12.2
137.03380	0.5
137.05948	0.4
139.03886	3.8
149.05966	17.3
150.03099	0.8
150.06279	0.7
154.67885	0.3
159.05103	0.3
165.01654	0.4
178.02623	49.5
178.09822	0.7
179.02956	1.5
191.10846	0.4
193.04982	14.6
193.12257	4.6
194.05290	0.9
222.01640	10.8
223.01849	0.3
237.04010	71.9
237.10902	1.6
238.04323	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	237.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35651	0.9
55.40384	0.6
56.95951	0.6
60.62726	0.5
69.03304	0.7
71.01223	2.3
73.26637	0.6
81.03312	3.1
83.04915	0.6
89.98229	0.7
93.03302	2.6
97.02797	1.4
99.08013	14.0
101.05938	6.5
106.04090	2.3
107.04891	5.4
108.05654	0.7
109.02785	1.9
109.06458	4.7
111.25848	0.5
121.02851	2.7
125.02312	5.9
134.03619	10.3
135.04407	6.8
136.05183	11.1
137.02272	3.2
139.11145	7.2
147.11676	1.2
149.09595	0.8
152.03471	1.0
152.04675	14.1
153.04982	0.6
162.03096	3.2
163.11136	0.9
165.09116	0.9
165.12740	4.6
166.13094	0.6
169.11967	0.6
173.09540	1.3
175.11183	9.1
176.16942	0.8
177.09164	2.9
178.09868	2.4
180.04149	3.6
188.61435	0.6
191.09029	0.8
191.10725	11.4
193.12267	35.4
194.12578	1.9
201.09138	2.9
206.53036	0.6
209.11748	2.6
219.10220	14.1
220.10515	1.1
237.11290	100.0
238.11563	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	237.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02279	1.1
61.40159	1.2
68.85042	1.4
71.01231	2.7
72.99127	1.3
81.03323	3.5
93.03325	2.1
96.90252	1.4
99.08007	10.5
101.05940	5.4
102.53047	1.4
107.04879	7.1
109.06454	67.0
110.06805	1.4
133.36993	1.5
134.03609	9.1
135.04396	5.1
136.05205	12.5
137.02364	2.2
139.11186	1.6
145.57784	1.7
152.04697	12.0
158.80415	1.6
162.03133	3.4
163.11154	4.2
165.12750	66.6
173.09654	2.1
175.11124	7.3
177.09012	1.7
180.04196	2.1
182.21246	1.7
188.71970	1.6
191.10709	10.7
193.12263	66.4
194.12637	2.2
209.11729	6.8
219.10217	19.4
225.53180	1.7
237.11305	100.0
238.11694	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	237.1129
Annotation	3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate
Peak:m/z	Relative Intensity
53.35638	1.8
53.35877	1.0
59.01233	1.3
69.03316	0.9
71.01244	1.6
71.04904	0.5
73.24400	0.4
81.03313	6.6
82.00933	0.5
93.03308	2.9
96.95897	0.7
97.02826	1.7
99.08015	11.9
101.05939	5.5
106.04084	1.4
107.04890	5.9
108.05697	0.5
109.02798	1.6
109.06459	3.3
113.09595	2.0
116.24142	0.5
121.02808	2.2
122.03562	0.8
123.08029	3.8
125.02325	4.0
125.06023	0.7
127.07448	0.4
133.02788	0.8
133.06581	0.5
134.03613	6.3
135.04388	7.0
136.05185	19.6
137.02342	3.4
137.09598	8.2
139.11154	8.7
139.82959	0.6
147.11670	0.8
149.13245	2.0
152.04686	8.5
162.03102	2.4
165.09108	0.9
165.12740	3.1
173.09698	1.0
175.11197	9.6
177.09091	3.8
178.09908	7.3
179.10323	0.7
180.04202	2.2
191.10701	6.9
193.12268	100.0
194.12566	4.2
201.09201	0.8
209.11832	1.3
219.10213	9.5
237.11298	78.3
237.14722	4.9
238.11693	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	239.0558
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
51.04612	0.7
51.45024	0.9
51.45335	0.6
52.37257	0.6
59.01241	38.4
71.01233	1.7
72.98785	1.3
72.99165	18.0
74.59673	0.8
87.00729	12.5
88.96104	0.7
91.05389	15.0
93.03305	1.2
97.02768	0.9
99.00740	1.7
101.02282	1.1
106.04084	2.4
107.04882	21.3
107.05581	1.5
108.02050	1.2
108.05247	1.2
115.05372	1.5
117.01806	1.4
117.03307	3.3
121.02795	3.2
125.02350	1.0
131.04884	2.7
133.06464	14.0
135.04367	3.0
141.01823	1.1
149.05968	63.4
150.06285	2.5
151.84280	0.7
159.04320	1.2
161.04453	6.8
163.03928	8.7
177.05481	41.0
178.05835	2.0
179.03403	52.2
179.05507	35.1
180.03734	2.6
193.05013	1.3
195.06560	5.1
221.04561	2.4
225.45737	0.8
239.05582	100.0
240.05933	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	241.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48055	0.9
59.01223	2.0
63.08763	0.8
65.03807	1.3
69.28536	0.9
70.31687	0.9
78.78831	1.0
78.95744	1.3
79.01740	3.0
80.02495	0.9
81.03284	2.1
89.03814	1.3
93.03326	5.5
95.04871	2.5
96.96804	1.6
103.00233	6.8
105.03297	7.1
107.01273	2.3
109.02808	30.5
109.03576	1.4
110.05287	0.9
110.32721	0.9
112.98638	2.4
121.02824	8.9
123.04378	16.4
124.01511	1.4
125.02362	2.2
133.02815	3.1
135.04359	1.2
135.08029	2.2
136.01477	1.3
137.02321	100.0
137.06728	1.5
138.02925	4.1
139.03885	31.2
149.02368	4.9
151.03917	8.0
153.01762	3.5
155.03394	59.3
156.03729	2.3
164.01077	1.9
165.01819	10.7
166.02556	1.5
167.03384	29.2
173.00809	2.8
177.01854	22.8
179.03391	3.9
181.01349	13.0
183.02888	4.7
193.01277	3.7
194.02080	3.9
195.02922	51.3
196.03241	2.6
197.08099	1.2
199.02374	6.8
211.02283	1.2
213.04002	3.9
223.02432	33.1
224.02783	1.4
241.03503	68.4
241.09117	1.8
242.03888	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	241.0716
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
52.97140	1.3
57.03305	6.4
58.00458	11.8
59.00168	2.1
59.01242	97.6
59.02457	1.4
59.79390	1.4
60.01579	4.5
61.01662	10.6
61.98700	3.4
67.01750	4.5
69.03314	5.2
71.00867	3.2
71.01239	36.0
71.04875	3.6
72.99171	2.9
73.02808	23.6
74.40815	1.4
78.95741	2.0
81.03298	6.8
83.01254	3.5
83.04884	4.0
85.02804	22.5
87.00739	10.3
87.04354	3.6
89.01154	3.2
89.02302	24.9
93.03310	2.9
95.01240	3.5
95.04845	2.0
97.02827	7.6
97.06439	3.8
97.28560	1.7
98.03599	3.2
99.00764	4.4
99.04353	9.6
101.02298	18.6
102.20230	1.6
103.03892	2.2
107.01247	2.6
107.04893	3.9
108.02038	13.0
109.02824	5.7
109.06440	2.2
111.00739	6.3
111.04358	2.3
111.08096	2.3
113.02299	6.7
115.03869	9.4
117.06969	16.0
119.03392	2.9
119.04903	3.3
120.05661	3.7
121.02821	3.0
121.06476	4.0
123.00748	3.2
123.04383	33.2
123.08038	12.2
125.02316	7.5
125.05959	3.1
125.09583	12.8
126.05485	2.0
127.03867	2.2
128.07088	1.9
131.03343	2.4
133.06436	17.3
134.03601	3.5
135.08029	82.9
136.08408	2.3
137.02310	5.9
137.05957	2.1
138.03046	2.1
139.07536	6.5
149.04497	1.8
151.06151	2.0
151.07550	5.6
153.05492	4.0
153.09105	32.0
157.05013	2.0
158.12181	1.7
161.04475	4.5
161.05978	9.4
163.00291	7.4
163.04935	5.1
165.09181	3.1
166.02719	2.7
167.03362	7.3
170.13383	1.6
173.79214	1.7
178.02603	6.5
179.01659	2.1
179.05542	8.8
179.07062	9.5
179.10756	1.8
180.05850	4.5
181.01408	3.7
181.05978	36.9
189.74364	1.8
193.05011	4.3
195.02940	5.5
197.06416	2.2
197.08110	40.7
211.06061	7.6
214.32271	1.5
223.06073	5.6
223.08049	3.1
223.13312	1.8
241.04808	3.9
241.07127	65.7
241.09305	100.0
241.14545	4.9
241.17953	3.4
241.21608	2.5
242.09656	4.7
242.17491	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1759
Annotation	N-Undecanoylglycine
Peak:m/z	Relative Intensity
52.08890	0.6
57.03294	0.3
58.02834	0.3
58.35653	0.7
59.34466	0.2
61.98679	0.4
62.85608	0.3
63.61440	0.2
65.82337	0.2
66.17123	0.3
68.45365	0.3
70.15488	0.2
82.02834	0.4
94.36934	0.2
110.02326	1.5
141.86470	0.2
179.14288	0.4
181.15892	26.7
182.16292	1.3
198.18539	1.9
200.05588	0.7
224.16518	5.5
225.14917	32.2
226.15239	1.6
237.02670	0.3
242.17587	100.0
242.27393	0.9
243.06189	0.3
243.15952	7.9
243.17998	3.4
244.16429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.9545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01725	1.8
59.01245	3.3
61.85926	1.5
61.98679	6.8
68.89436	1.8
68.99689	2.1
71.01240	74.0
71.01636	3.5
72.02020	2.0
72.99165	11.3
73.02807	22.7
74.65266	1.8
75.00733	23.0
78.95746	9.2
79.40674	1.6
87.00732	7.3
96.96818	19.5
97.99957	38.1
99.00170	3.4
99.00741	37.5
102.94244	6.2
112.98672	16.6
113.03397	4.0
115.00233	15.4
126.97900	28.4
128.03400	2.8
128.95816	6.4
128.99454	16.5
129.98938	4.2
130.97400	6.0
136.96339	6.0
142.97385	10.0
142.99721	3.3
145.06058	3.5
146.04428	2.7
149.99487	6.7
152.95860	16.6
153.04892	1.8
154.97423	33.4
170.96925	11.2
172.02646	2.1
172.98491	61.2
180.95357	26.6
183.45032	2.2
190.99602	6.3
216.97556	4.1
222.97459	2.2
242.95476	100.0
243.95866	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	243.0296
Annotation	Gentisein
Peak:m/z	Relative Intensity
50.57951	1.4
57.09667	0.9
59.01231	1.5
61.51193	0.6
68.71443	0.5
69.99350	0.6
82.02847	1.0
91.72764	1.0
105.80854	0.6
109.02799	0.8
110.02319	4.7
127.05389	4.3
143.04878	1.4
146.26192	0.7
147.04413	2.0
152.03413	1.2
153.23802	0.6
170.98018	0.7
171.04417	61.5
172.04771	3.0
181.15915	1.0
187.03922	1.1
198.03172	1.3
199.03909	9.0
200.05637	2.0
200.08315	0.8
215.03441	31.5
216.03723	1.1
243.02966	100.0
243.12483	2.4
243.15829	0.9
243.19803	1.1
244.03313	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	243.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04172	0.2
59.01232	0.3
67.64906	0.2
73.26672	0.2
76.74918	0.2
82.02834	0.3
101.50156	0.2
110.02339	1.0
114.93649	0.2
115.05377	0.4
141.03383	0.2
143.04904	1.8
143.41217	0.2
145.02907	0.3
153.12599	0.2
158.03673	0.3
159.04373	1.1
160.32080	0.2
169.02852	0.3
170.03621	0.5
171.04424	2.2
173.02359	0.3
177.05490	0.3
182.03740	0.2
186.03085	0.8
187.03941	7.2
188.04285	0.3
197.02388	1.4
198.03177	0.8
199.03905	2.2
200.01120	0.5
200.05678	0.4
202.02509	0.2
213.01884	0.7
214.02667	2.5
215.03441	6.4
216.03807	0.3
225.01862	0.8
226.02672	8.1
227.03067	0.5
241.01289	0.3
242.02177	4.3
243.02975	100.0
244.03326	4.8
244.05260	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	243.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09704	0.1
59.07923	0.1
65.00175	0.1
70.24034	0.1
89.03829	0.1
91.73433	0.1
103.05421	0.2
110.02297	0.1
115.05388	0.9
131.04884	0.3
143.04910	3.3
144.05231	0.2
155.04874	0.3
158.03586	0.9
159.04404	2.8
159.37590	0.1
161.06024	0.2
169.02859	0.4
170.03633	0.2
171.04417	2.9
173.02194	0.2
182.03700	0.1
185.02408	0.2
186.03157	1.4
187.03925	22.1
188.04282	0.8
197.02371	1.4
198.03133	0.6
199.03943	4.6
201.11244	0.2
213.01950	0.4
214.02682	1.8
215.03444	14.5
216.03812	0.7
225.01886	0.4
225.11263	0.3
226.02580	1.1
241.01485	0.3
242.02206	1.4
242.93237	0.9
243.02966	100.0
244.03302	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	243.0619
Annotation	Uridine
Peak:m/z	Relative Intensity
57.03315	1.2
59.01237	3.2
66.03345	12.4
68.01254	1.6
69.03304	1.5
71.01236	4.1
72.99204	0.8
73.02843	1.0
78.95760	10.0
82.02837	28.3
83.01241	3.0
84.04401	1.4
85.02825	2.5
87.00726	16.0
89.02296	1.1
91.73422	1.0
93.03334	3.9
94.02847	3.0
95.04877	1.3
96.00761	2.0
96.04407	2.2
96.95889	1.1
96.96816	4.4
97.06449	1.0
98.02361	1.7
99.00757	3.4
100.03909	1.0
108.04421	3.5
109.02837	3.9
109.06445	1.9
110.02337	100.0
111.00734	2.8
111.01869	8.1
111.02614	2.2
111.04392	2.5
112.03876	1.4
112.98667	2.5
113.02348	1.7
113.03450	1.2
114.05445	1.8
115.00260	1.0
117.01799	1.7
120.04446	1.5
121.02830	1.3
121.06496	1.1
122.02332	9.0
123.04396	1.6
124.03889	3.0
125.02293	1.9
125.43797	1.0
126.05499	1.2
127.05009	1.4
127.81131	0.9
128.03366	4.5
132.02827	1.1
134.41484	1.1
137.02318	7.8
137.09569	1.3
138.02707	2.5
138.05457	1.4
139.02792	5.5
139.03893	2.1
139.04974	0.9
139.07451	2.1
140.03391	11.3
140.04295	1.0
140.90404	0.9
141.04378	0.9
142.99738	2.5
143.33495	1.0
145.01297	2.1
152.03415	18.3
153.02910	6.6
153.09117	3.7
155.02283	1.0
155.03369	5.0
156.03749	1.6
157.03868	4.0
164.03484	1.6
165.01898	1.0
167.03383	1.5
169.03899	2.6
171.28345	1.0
173.00804	2.8
177.63892	0.9
179.02444	1.3
182.04460	1.4
183.04808	1.2
186.90317	1.0
197.03398	6.3
199.02431	1.2
199.09647	10.6
200.05576	44.1
201.05875	1.3
205.03459	1.2
213.67259	0.9
225.03075	4.5
225.08803	3.1
243.01332	2.1
243.03986	7.7
243.06252	33.5
243.08905	8.7
250.60367	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92268	1.2
50.92490	0.5
51.07022	1.3
51.07237	0.4
56.41922	0.4
58.84307	0.6
59.01260	1.1
73.98940	0.4
82.02828	0.7
110.02328	3.5
122.02334	0.5
133.06381	0.6
152.03412	0.6
158.03654	0.7
159.04320	0.5
161.02303	0.9
178.21762	0.5
182.97343	0.6
183.03149	0.8
183.04436	50.8
184.05222	64.6
185.05609	3.1
187.03931	13.6
187.05534	1.0
188.04515	0.6
189.05507	1.5
190.17091	0.5
198.03227	0.5
199.03995	0.6
199.07664	3.0
200.05528	1.5
215.03568	1.3
225.09203	0.6
228.04254	100.0
229.04578	4.2
243.03053	2.8
243.06610	26.9
243.10414	1.1
243.16017	0.8
244.06987	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1025
Annotation	Mansonone G
Peak:m/z	Relative Intensity
59.01242	0.4
66.03314	0.2
68.99679	0.2
82.02821	0.2
82.38233	0.1
91.72801	0.1
97.06434	0.2
107.45084	0.2
110.02338	1.5
111.04382	6.6
130.04103	0.6
131.04895	1.9
143.04889	0.7
144.05713	2.3
145.02861	0.3
145.06483	2.3
147.04407	6.7
152.03424	0.2
157.02881	0.2
158.03621	0.9
158.04886	0.2
159.04414	0.3
171.04417	3.5
171.08032	0.4
172.05200	9.2
173.05977	2.1
175.03954	0.3
184.08783	0.3
184.23958	0.2
185.02361	0.4
185.05949	1.0
186.02972	0.2
187.03854	0.4
187.11208	0.3
189.05511	0.3
197.09775	0.2
199.03941	8.0
199.07582	2.6
199.11195	0.5
200.04268	0.3
200.05803	0.3
200.08372	1.2
201.05457	0.4
213.05577	0.2
214.09966	0.2
215.10730	4.0
227.07095	1.5
228.07898	1.1
243.10249	100.0
244.10590	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	243.1023
Annotation	Emmotin C
Peak:m/z	Relative Intensity
50.43569	0.5
50.58644	0.7
51.33628	0.5
51.79696	0.5
57.11497	1.6
57.11739	0.7
57.81814	0.6
59.01232	1.6
62.97468	0.5
65.99702	0.6
66.03340	1.1
79.15745	0.5
82.02800	1.0
91.72738	0.8
92.28871	0.6
108.04440	0.8
110.02354	4.8
143.04904	15.8
144.05716	4.4
147.04359	0.6
158.03622	1.2
171.04419	46.6
172.05199	20.9
187.11127	1.0
199.03879	1.5
200.05637	1.2
201.14894	0.8
204.04205	0.8
215.10724	75.8
216.11043	3.1
225.11186	0.7
243.03235	3.2
243.06252	3.0
243.10243	100.0
243.19713	12.3
244.10605	6.0
251.23787	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86002	0.2
58.85200	0.2
59.01243	0.6
61.98678	0.2
62.21004	0.2
62.79499	0.3
65.42390	0.2
65.68398	0.2
66.03338	0.7
66.12717	0.2
67.69467	0.2
71.85969	0.2
75.34830	0.2
79.44878	0.2
80.61063	0.2
82.02843	1.3
107.04878	0.9
110.02343	4.5
111.01905	0.4
122.02347	0.5
122.03549	0.2
123.04390	0.5
123.20740	0.2
124.03907	0.3
131.04916	2.2
140.03391	0.3
143.04892	0.2
144.05693	3.2
152.03450	1.2
153.02940	0.4
155.08513	0.2
156.04196	0.2
157.06482	0.7
159.04413	0.6
161.05995	0.3
170.07278	0.3
171.07993	1.2
172.05075	0.3
183.08060	4.7
184.08853	8.3
185.05992	7.2
185.08717	0.2
186.06462	0.3
187.03865	0.4
197.09650	1.6
198.03177	0.3
199.07573	11.0
199.11212	13.9
200.05435	1.5
200.08348	2.3
200.11537	0.6
212.04735	5.0
213.05525	2.3
213.09126	0.9
215.10762	0.5
227.07114	7.3
228.07872	18.9
229.08226	1.0
243.10242	100.0
244.10582	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	243.1023
Annotation	5-Hydroxybisphenol A
Peak:m/z	Relative Intensity
57.11513	1.0
59.01226	1.8
82.02838	2.2
110.02306	5.3
114.78867	0.9
116.94243	0.9
134.03615	11.6
143.04893	1.2
157.58028	1.1
159.04424	2.0
160.05144	1.7
171.04485	2.1
172.05138	1.2
185.06061	1.9
186.03192	1.5
199.07574	1.5
199.11218	2.1
200.04507	6.3
200.08344	2.9
215.10707	39.2
215.12801	2.0
216.11092	3.5
221.63776	1.0
228.07814	2.7
243.02913	2.7
243.06291	3.2
243.10240	100.0
243.15628	1.9
243.19823	1.6
244.10579	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	243.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64687	0.2
54.86021	0.2
54.86526	0.3
58.71964	0.2
58.85205	0.4
59.01227	0.8
66.03336	0.5
71.01221	0.3
73.28786	0.2
82.02843	1.1
107.04864	0.9
107.19781	0.2
109.08160	0.2
110.02345	3.3
111.01868	0.3
114.26541	0.2
119.74931	0.2
122.02248	0.2
131.04883	2.2
134.36118	0.3
140.03479	0.3
143.04839	0.4
144.05693	2.2
152.03380	0.6
153.02885	0.3
157.06491	0.7
159.04376	0.5
171.08014	1.0
172.05171	0.4
183.08052	5.6
184.08859	9.6
185.06003	7.9
186.06456	0.4
197.09645	1.9
199.07573	10.6
199.11215	14.0
200.05399	1.2
200.08316	2.3
200.11501	0.7
212.04756	4.8
213.05461	2.0
215.10728	0.5
227.07101	8.0
228.07877	18.1
229.08247	0.7
242.17616	0.2
243.00546	0.9
243.10248	100.0
244.10576	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	243.1025
Annotation	Emmotin C
Peak:m/z	Relative Intensity
50.58656	0.7
52.77913	0.3
53.62959	0.3
53.80626	0.3
54.41927	0.3
57.11485	1.2
59.01244	0.3
64.59944	0.2
64.99561	0.3
66.03342	0.6
66.33156	0.3
71.92654	0.3
75.52156	0.3
80.04051	0.3
82.02833	1.2
97.21664	0.3
105.01369	0.3
108.02004	0.4
110.02339	3.6
130.04141	0.3
131.04767	0.4
143.04912	17.4
144.05708	3.7
152.03389	0.4
158.03641	0.8
171.04422	53.1
172.05205	21.8
173.05630	0.9
186.03105	0.8
187.03812	0.5
197.19061	1.2
199.03912	1.4
200.05571	1.2
204.04291	1.0
215.10724	85.0
215.18898	0.8
216.11058	3.6
243.10249	100.0
243.19724	2.9
244.10583	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	243.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26873	0.4
54.88263	0.5
57.03316	0.6
59.01234	2.6
60.09802	0.4
66.03347	2.8
67.01727	0.5
69.03304	0.7
71.01231	1.5
71.04859	0.6
72.99177	0.5
73.02787	1.1
74.02315	0.7
80.04910	0.6
82.02843	7.6
82.06483	0.6
83.01240	0.6
83.04863	1.0
88.03891	7.1
93.03264	0.5
94.02821	0.5
96.04412	0.5
100.00243	0.9
107.14869	0.4
107.69024	0.4
108.04396	2.0
109.06437	0.5
110.02339	21.7
110.72717	0.4
111.00711	0.8
111.01860	1.6
111.02641	0.5
111.04370	2.2
112.07551	0.7
114.09102	1.1
122.02304	1.1
124.03893	0.9
127.07533	0.6
129.10242	3.7
130.08611	44.6
131.08949	0.8
137.09605	1.1
140.03398	2.6
152.03461	4.4
153.02950	2.7
154.08617	1.0
155.03366	2.0
157.13358	2.9
163.11047	0.5
165.06628	1.3
168.89365	0.6
169.64542	0.6
181.12260	0.5
182.15450	0.9
199.02364	1.9
199.09682	1.3
199.18089	24.3
200.05606	8.7
200.18393	0.8
225.07642	0.8
225.11356	0.9
225.14853	0.6
243.06204	6.3
243.08646	2.6
243.12451	3.0
243.12935	3.5
243.17120	100.0
244.17407	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	243.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20046	0.4
51.78184	0.5
54.88272	0.8
59.01221	1.8
62.87608	0.4
66.03355	2.7
67.73844	0.5
71.01233	1.0
73.02800	3.6
82.02840	3.7
82.06480	5.7
84.08050	1.2
91.73470	0.9
93.03402	0.5
96.04427	0.7
97.06419	0.7
100.00234	0.9
107.08532	1.2
108.04417	1.6
110.02349	14.4
111.01849	1.6
112.07554	1.4
114.09104	1.0
116.71493	0.5
119.47382	0.6
122.02335	0.9
125.09563	1.2
127.07549	0.7
129.10219	5.3
130.08618	43.1
130.12582	0.6
131.08934	0.7
137.09573	0.8
140.03426	1.5
141.10214	0.6
144.23291	0.6
152.03418	2.3
153.02948	1.4
161.42108	0.6
165.06563	1.0
182.15436	4.6
199.18100	29.0
200.05609	6.4
200.18343	0.8
243.06192	3.7
243.08734	4.8
243.12355	4.7
243.17136	100.0
244.17555	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	244.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52661	0.8
54.32343	0.7
61.21040	0.8
72.77259	0.8
99.62456	1.0
121.02876	0.8
125.93015	0.9
133.36835	1.0
135.04434	1.1
136.05157	1.0
145.06459	2.5
157.06496	2.8
158.03593	4.8
159.04387	3.2
160.05197	1.4
161.06006	1.5
162.83762	1.4
172.05177	5.9
173.05991	19.1
186.03148	12.4
187.03938	7.2
188.04535	1.0
200.04692	1.6
201.05501	32.0
201.12767	1.0
202.06021	3.2
215.10692	1.4
217.12328	4.3
243.10210	1.2
244.11023	100.0
245.11740	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08563	1.0
51.08778	0.6
54.47910	0.4
55.34541	0.5
57.59301	0.5
59.24154	0.4
63.96155	0.4
65.00179	0.4
66.17442	0.4
75.02270	0.6
89.03830	1.4
101.03835	5.3
103.01749	0.5
117.03326	17.3
118.03657	0.5
119.04092	0.6
119.04897	9.0
129.03348	4.7
131.01251	1.5
133.02820	1.3
144.06409	0.5
145.02835	31.1
145.07333	0.5
146.03168	1.4
147.04401	27.0
148.04727	0.6
157.02843	5.9
160.01509	0.6
161.02354	3.9
163.03900	10.1
164.04288	0.6
170.05949	0.8
173.02345	54.2
173.08093	1.0
174.02658	2.8
175.03888	1.3
189.01849	13.8
190.02193	0.7
191.03410	1.1
200.01112	1.8
201.01868	38.4
202.02231	1.6
216.99352	1.0
217.01364	14.4
218.01782	0.6
245.00897	100.0
246.01224	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	245.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08568	1.1
55.34548	1.0
59.01233	0.5
59.89699	0.4
60.04854	0.4
65.00187	0.6
68.24630	0.4
89.03832	0.9
90.37417	0.4
96.90007	0.5
101.03825	4.6
117.03321	15.1
119.04897	9.1
129.03314	4.8
131.01294	1.0
133.02866	0.9
145.02835	29.1
146.03169	0.7
147.04398	24.8
148.04750	1.0
157.02840	5.6
160.01534	0.5
161.02341	3.0
163.03911	10.3
170.05933	0.7
172.96214	0.7
173.02347	50.3
174.02734	2.3
175.03923	0.8
189.01859	11.9
191.03403	0.6
200.01097	1.4
201.01860	37.9
202.02216	1.4
217.01361	13.1
245.00899	100.0
246.01244	4.7
269.20834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08567	0.5
53.95384	0.2
55.34545	0.4
62.04651	0.2
65.00191	0.4
68.15750	0.2
74.78551	0.2
75.02265	0.4
89.03825	0.6
98.97904	0.2
101.03818	3.5
101.84639	0.2
107.41626	0.2
117.03327	9.2
118.03652	0.3
119.04895	7.6
129.03329	3.4
131.01268	0.9
133.02802	0.5
145.02838	19.2
146.03203	0.5
147.04404	18.2
148.04720	0.7
156.02025	0.6
157.02856	4.4
161.02361	1.4
163.03905	5.6
166.90628	0.2
170.05974	0.5
172.01495	0.3
173.02348	34.5
174.02663	1.4
175.03935	0.6
189.01857	7.9
191.03427	0.5
200.01115	1.2
201.01871	24.8
202.02295	1.3
217.01379	9.5
217.03474	0.5
218.01648	0.3
244.90437	0.9
245.00900	100.0
246.01237	5.2
255.20946	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	245.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04447	1.0
59.01224	2.3
74.61803	1.2
78.95755	1.2
83.47908	1.2
101.02270	1.4
106.99912	1.4
118.57741	1.2
122.03574	1.5
123.04347	1.5
133.06517	2.7
136.04005	1.6
136.05147	3.4
146.03589	1.9
160.84097	2.7
161.05960	6.0
173.05954	3.4
174.06766	6.5
188.04649	2.7
198.03210	1.4
199.94913	1.4
201.12773	2.7
202.06224	6.3
202.10104	6.5
202.88681	3.3
203.10675	1.6
217.12303	19.8
218.12791	1.4
230.09560	6.3
245.08018	3.0
245.11821	100.0
246.12082	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	245.1181
Annotation	6,7,9,10-Tetradehydroasteriscanolide
Peak:m/z	Relative Intensity
59.01233	3.9
67.56755	1.2
69.78798	1.1
70.85455	1.1
71.41897	1.2
77.07448	1.3
82.74882	1.2
87.00710	2.3
92.02112	1.2
93.03343	1.4
93.19471	1.4
105.10787	1.2
117.03328	1.6
123.08063	1.6
133.06465	6.6
136.05199	2.9
146.03595	4.4
159.04456	3.5
160.05226	2.1
161.05954	16.3
162.91084	1.7
163.07561	5.0
173.02336	1.6
173.05969	2.9
174.03113	1.9
174.06827	6.5
174.99127	4.6
185.06023	4.4
186.06732	8.9
187.03922	4.6
188.04755	4.1
201.01698	1.6
201.05528	3.2
201.09145	13.4
201.12758	6.6
202.06287	6.9
202.09898	4.0
203.10724	4.3
215.07158	1.8
217.08829	2.9
217.12270	22.8
227.10750	2.1
230.05872	2.8
230.09451	18.0
231.09732	1.7
245.04549	2.8
245.08185	24.4
245.11833	100.0
246.12126	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	245.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44145	0.3
51.79673	0.3
53.98625	0.3
56.88888	0.3
57.05964	0.3
57.11505	0.7
57.11729	0.3
57.34382	0.8
57.34604	0.3
57.57507	0.4
61.02565	1.1
65.35433	0.6
69.42792	0.3
75.03568	0.3
91.72624	0.4
97.06445	0.6
100.14024	0.4
139.75356	0.3
143.03841	0.6
143.04909	9.3
144.05727	2.5
145.02921	0.4
154.50192	0.3
156.05707	0.6
160.05225	0.6
161.05969	1.6
171.04422	24.4
172.05196	16.9
173.05684	0.9
184.05165	0.9
186.03110	0.4
199.03854	0.4
199.11172	4.8
200.04663	0.6
201.05432	0.4
202.06371	0.5
215.10718	76.9
216.11090	3.9
217.12260	3.2
227.10670	2.1
243.10248	91.2
243.20117	0.9
244.10623	4.3
245.11809	100.0
245.21786	1.0
246.12154	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	245.1181
Annotation	2-Hydroxyeudesm-1,4,6-triene-3,8-dione
Peak:m/z	Relative Intensity
54.00395	0.2
56.20275	0.2
57.61992	0.9
57.62302	0.4
64.82121	0.2
65.29796	0.4
73.23185	0.2
83.04849	0.3
97.05860	0.4
97.06444	6.1
106.04086	0.6
107.04890	2.2
109.02831	0.3
109.06437	0.3
119.04885	3.9
121.80546	0.3
124.68026	0.3
127.86205	0.2
131.04887	0.5
132.05652	0.5
133.06462	8.5
134.07208	0.8
135.04346	1.0
135.08028	1.6
143.04852	0.4
144.04648	0.5
144.05696	7.3
146.03557	0.3
149.05907	0.3
157.06467	1.2
159.04323	0.6
159.08029	0.4
160.05128	1.1
161.05977	20.9
162.06328	0.8
173.05844	0.8
174.06369	1.0
175.07533	1.0
183.29611	0.3
184.08852	0.5
187.03531	0.5
199.11220	4.0
201.05525	1.8
201.09126	0.9
201.12769	2.0
202.05876	1.9
202.09767	0.5
202.13126	0.3
215.10739	0.3
217.12286	59.7
218.12628	3.0
234.05254	1.5
244.11047	0.7
245.01352	1.1
245.11792	100.0
246.12141	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	245.1181
Annotation	Loxoprofen
Peak:m/z	Relative Intensity
53.76881	0.3
54.26893	0.3
56.52892	0.4
57.62024	0.4
59.01226	1.6
83.04852	0.8
87.00713	1.4
95.93906	0.4
97.06438	1.6
107.04871	1.4
119.04884	1.0
130.47295	0.5
133.06468	12.5
143.04863	0.6
144.05659	1.2
145.02840	0.5
146.03648	2.7
147.04451	0.5
157.06483	0.7
159.04425	2.3
160.05168	2.2
161.05977	15.4
162.06306	0.6
163.03976	0.5
173.02318	0.5
174.99184	0.7
188.04662	0.8
199.11119	0.5
201.05522	2.0
201.09155	1.3
201.12735	1.4
202.06293	1.6
212.08348	0.8
215.88789	0.4
217.05003	0.5
217.12283	11.9
218.12724	0.6
227.10823	1.6
229.08684	3.7
230.09453	0.5
245.00664	0.8
245.11815	100.0
246.12146	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	245.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44263	0.3
55.37275	1.6
58.04069	0.3
60.52894	0.3
67.88306	0.3
70.12997	0.3
89.07868	0.3
97.06453	0.5
106.04100	0.9
107.04909	0.6
107.08529	0.4
119.04903	0.4
120.05676	1.0
131.04887	2.4
133.06435	2.2
133.85747	0.3
135.04385	1.6
143.04907	3.3
144.05695	18.6
145.06377	1.1
146.07236	0.8
157.06482	31.1
158.07269	4.1
159.04433	0.9
159.08052	7.5
159.11687	1.1
160.05212	0.7
161.05956	2.3
167.99368	0.4
171.08058	2.3
185.09650	3.2
186.10431	4.0
187.03937	0.7
188.04701	1.3
199.11247	2.7
201.12787	100.0
201.20532	1.0
202.06303	0.4
202.13110	3.9
215.10689	1.0
217.12288	6.0
243.10182	0.6
245.11815	96.8
245.22081	0.9
246.12170	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	245.1181
Annotation	Lumisantonin
Peak:m/z	Relative Intensity
55.01758	0.2
57.62046	0.2
59.01223	0.2
65.29836	0.3
73.98492	0.1
94.28083	0.2
103.63656	0.2
121.02856	0.2
122.03580	0.4
123.04374	0.5
133.06458	0.5
135.04396	0.3
136.05174	5.0
138.03090	0.7
145.02827	0.5
146.03612	0.6
147.04434	0.4
148.05220	0.4
150.03123	1.4
157.06441	0.2
158.03607	0.2
158.07162	0.2
159.04405	0.7
160.05162	1.4
161.04710	0.3
161.05983	3.1
162.06769	1.3
163.07603	0.4
173.05994	3.7
174.06764	8.5
174.99120	0.3
175.07233	0.5
180.93790	0.2
185.06128	0.2
187.03926	1.6
187.07564	0.3
188.04678	1.0
189.12766	0.2
199.11137	0.2
201.05452	1.6
201.09082	0.3
202.06290	8.0
202.09918	6.1
203.06851	0.4
203.10445	0.4
206.05806	0.2
215.07111	0.3
217.12286	21.9
218.12714	1.1
226.54364	0.2
230.09460	0.2
245.11809	100.0
246.12155	5.5
246.14063	0.1
247.98331	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	245.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01230	6.6
68.62489	2.0
71.93396	2.1
72.55835	1.7
78.80397	1.5
87.00716	4.1
97.06452	3.2
106.92806	1.7
131.41360	1.6
133.06459	8.3
143.04878	14.8
145.02859	3.7
145.87573	1.8
146.03641	3.1
158.03651	1.7
159.04349	4.1
160.05174	2.8
161.06001	13.3
162.91068	2.7
169.95056	1.9
173.02301	2.5
173.06007	2.8
174.06834	3.2
174.99237	5.0
184.05257	3.3
187.03920	3.3
188.04657	5.2
199.11237	4.1
201.09167	2.0
201.12773	5.8
202.06364	3.1
202.10048	2.2
203.10680	4.7
215.10860	3.2
217.08763	2.3
217.12279	18.0
227.10751	21.7
229.89383	13.1
230.09435	14.5
243.10170	4.2
245.00887	3.5
245.04507	5.0
245.08287	9.5
245.11816	100.0
245.15521	3.8
246.12050	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.9882
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08934	0.3
58.99698	0.2
59.01242	0.6
60.78342	0.2
61.87172	0.3
65.00186	2.0
65.47176	0.2
71.01227	0.2
75.02271	0.4
76.27202	0.2
91.01749	9.3
92.02084	0.3
93.03319	0.7
101.14318	0.2
107.98524	0.2
109.02824	0.9
111.00737	0.2
118.16921	0.2
119.01256	16.3
119.04835	0.3
120.01607	0.5
121.02819	0.5
131.01244	1.0
131.04991	0.3
135.91057	0.2
147.00763	31.7
148.01108	0.8
149.02332	1.0
149.67279	0.2
153.01854	0.4
159.04446	0.3
175.00276	63.0
175.06171	0.6
176.00624	2.6
177.01865	0.3
193.54926	0.3
202.99783	0.6
203.03427	0.5
218.99304	100.0
219.07513	1.0
219.99640	4.5
246.98824	20.6
247.02469	2.2
247.09781	0.2
247.99243	1.0
264.77631	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30769	1.0
55.85297	1.6
59.01240	10.1
68.45377	1.2
71.01225	2.1
73.02784	1.4
75.79685	1.3
89.96471	1.1
91.72716	2.0
96.95879	3.1
102.04601	3.0
103.05367	6.3
107.60851	1.4
108.02026	4.7
115.05393	7.1
119.04922	2.0
121.06460	2.8
123.04382	3.2
130.04109	12.7
131.04916	14.1
132.98026	1.8
133.02802	9.4
139.72853	1.5
147.00696	1.7
147.04434	9.3
152.01041	22.1
158.03633	8.1
159.04417	60.5
160.04803	2.4
161.02371	8.8
167.03395	29.7
174.03107	1.9
175.00276	4.0
175.03915	19.4
177.01805	4.2
186.95474	1.9
191.03403	4.2
203.03438	80.7
204.03793	3.7
219.02917	6.4
246.99298	5.4
247.02455	100.0
247.06323	3.1
247.13173	1.7
248.02802	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0974
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
52.69414	1.5
59.01241	11.8
59.58509	1.5
71.01233	3.6
75.28984	1.7
77.46910	2.0
89.02305	2.7
90.96996	3.4
93.03317	1.9
97.02833	2.1
107.04884	7.2
111.08039	2.3
114.40923	1.6
122.03614	2.8
123.04397	2.7
130.07094	1.8
132.60852	1.8
132.98073	5.1
133.06480	1.8
134.03508	1.8
135.04424	5.1
139.07553	3.8
146.03671	2.2
148.05194	3.6
159.04428	7.2
160.05176	6.0
163.03868	2.0
171.85321	1.9
173.05972	2.4
174.99161	5.2
185.09691	3.1
186.95477	12.9
187.07574	5.0
188.08359	24.6
191.10683	9.4
203.10715	100.0
204.11050	4.9
219.10220	2.4
229.12157	2.2
247.05997	4.4
247.09776	61.4
247.13399	22.4
248.10214	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	247.1337
Annotation	Parthenolide
Peak:m/z	Relative Intensity
52.27581	0.2
59.00977	0.2
59.01236	1.3
62.50655	0.2
71.01234	0.4
73.02798	0.6
89.02298	0.3
90.96994	0.3
93.03295	0.2
97.02811	1.5
107.04893	0.2
121.02844	0.3
132.98027	0.5
144.20532	0.2
149.09567	0.4
152.42081	0.2
163.11191	0.3
165.01842	0.3
173.04454	0.3
174.99133	0.3
175.07254	0.2
176.99348	0.2
184.00139	0.5
186.95526	1.1
201.05463	0.3
203.10710	0.5
203.14468	0.2
205.00165	0.4
217.12201	0.2
218.03459	0.2
218.13966	0.3
247.13385	100.0
247.23302	1.0
248.07980	0.9
248.13719	4.7
257.01984	0.2
268.71164	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	247.2066
Annotation	Sterol
Peak:m/z	Relative Intensity
53.60392	0.4
56.24764	0.4
56.52744	0.4
59.01224	1.7
71.01225	1.0
74.92563	0.4
82.09293	0.4
85.56277	0.4
92.02525	1.4
103.03862	0.7
103.42080	0.4
106.04100	6.6
107.04874	1.1
108.02034	0.9
108.06956	0.5
115.78410	0.5
119.04895	2.4
121.02826	9.7
133.06400	0.6
153.39323	0.5
209.37222	0.5
225.95955	0.5
246.95284	0.6
247.06088	0.7
247.20659	100.0
248.20979	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	249.113
Annotation	Illioliganone A
Peak:m/z	Relative Intensity
50.16066	0.6
53.12430	0.6
56.37876	1.0
57.03303	1.4
57.73798	0.7
59.01252	3.5
59.75001	0.5
70.04553	0.7
70.79623	0.6
74.57089	0.6
81.03295	0.8
85.02807	0.8
93.03310	1.2
95.04885	1.2
97.02817	2.0
97.06452	4.4
99.07992	1.0
101.02322	1.0
106.04092	2.8
107.04892	27.0
108.02006	1.1
109.02825	5.1
111.38189	0.7
112.17567	0.7
119.04896	0.8
121.02839	6.0
121.06463	3.9
122.03573	3.5
123.04331	1.2
123.08015	1.8
135.04381	1.7
139.07556	0.8
147.04373	1.0
148.05132	1.4
149.05972	2.0
151.03952	1.4
154.94887	0.7
161.05963	1.3
163.07445	1.2
165.05464	1.7
165.09071	2.2
172.05219	1.1
172.08617	0.7
187.11223	9.3
189.03992	1.3
191.03418	3.2
203.10664	2.7
204.04251	2.2
205.12280	37.5
206.12630	1.3
213.09192	7.8
219.06558	0.9
231.07877	0.9
231.10237	41.2
232.10593	2.7
249.11311	100.0
249.14868	3.0
250.11655	5.5
250.14255	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81839	0.9
55.01749	1.9
57.03074	1.3
57.03315	15.9
59.01230	5.2
67.01735	3.2
67.51389	1.0
70.18627	1.2
71.04873	3.9
73.02802	1.7
80.02515	1.4
81.03325	2.7
83.04877	7.7
85.06457	1.3
87.00706	1.3
87.04336	1.9
91.73396	2.4
93.03307	3.9
97.06439	3.8
99.04382	3.2
99.08013	56.4
100.08371	1.7
101.02283	2.0
101.09928	1.3
105.03344	2.7
105.06957	9.4
107.04881	3.3
109.02802	2.1
111.08019	2.2
112.62947	1.3
113.09583	10.4
119.04826	1.5
121.02821	9.5
121.06480	1.8
122.03595	2.3
123.04414	14.0
123.08019	2.0
131.04901	4.0
133.05481	2.2
133.06476	38.6
134.03619	1.2
135.04314	1.4
135.08025	2.7
137.02290	2.0
137.05966	16.0
137.09579	4.1
146.03612	3.5
147.04398	1.4
148.05193	8.6
149.05981	7.6
149.09564	1.5
150.03052	1.4
150.06670	1.5
159.04366	2.8
161.09552	1.3
163.07536	14.0
165.05481	23.4
165.09093	13.7
166.05840	1.5
167.03368	2.2
173.05992	2.0
174.06743	3.7
174.10426	1.9
175.11125	3.1
177.05461	2.8
177.09152	1.6
189.04060	2.1
189.05486	2.5
189.09157	6.9
189.12759	20.2
190.06271	5.0
191.05498	2.3
192.07851	4.1
193.08658	1.6
199.11246	1.3
204.04338	1.5
205.12288	2.2
217.10263	2.7
217.12296	41.7
218.12688	2.5
219.06606	2.1
221.11826	7.3
233.11815	24.4
234.12476	2.1
247.13400	23.7
248.13905	1.3
248.58138	1.7
249.07951	2.6
249.11397	10.2
249.14957	100.0
249.25383	1.5
250.15158	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	249.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38787	1.3
56.39043	0.9
57.02335	0.5
57.03317	16.3
59.01236	1.3
59.83722	0.4
66.41344	0.4
69.03313	1.2
71.04842	0.5
79.05394	4.6
83.04879	7.9
85.06446	19.6
91.72669	0.6
93.03342	0.4
95.04861	0.6
97.02811	6.8
99.08013	75.9
99.10558	1.1
100.08355	1.3
111.08015	2.5
113.17053	0.7
119.04891	0.5
120.05623	0.5
121.02832	4.4
121.10102	9.3
123.04381	1.8
123.07982	0.5
125.09579	4.0
127.11163	13.4
131.04773	0.5
133.06505	0.5
134.44408	0.5
137.09586	0.8
139.11156	0.8
141.86884	0.4
145.06470	1.2
147.08029	9.7
149.06003	1.3
149.09573	0.7
151.11116	0.7
161.09680	0.7
163.11176	1.4
165.05452	1.7
165.09151	0.5
175.11188	0.5
177.12819	0.6
187.14839	1.8
189.04007	0.9
189.12733	0.6
191.05540	0.9
203.14352	17.2
204.04192	0.7
204.14677	1.2
205.15921	100.0
206.16241	4.8
230.40944	0.5
234.12622	0.5
247.13365	15.7
248.13698	0.6
249.14954	98.2
250.15302	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	249.1495
Annotation	(1R*,3Z,7E,11R*)-(-)-7,10,10-Trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-3-carboxylic acid
Peak:m/z	Relative Intensity
50.09818	0.8
53.84737	0.7
56.38783	0.7
57.68783	0.7
59.01238	9.3
62.70906	0.6
75.00725	5.4
76.67238	0.9
77.06123	0.9
79.05466	0.7
80.43388	0.7
84.72108	0.8
85.02775	1.1
86.51772	0.9
87.00723	2.1
92.02532	1.8
93.03316	4.8
95.01261	1.1
101.02301	2.3
106.04102	8.8
109.02824	1.9
119.04913	1.5
121.02814	12.4
123.00787	1.0
137.02304	3.6
189.03967	5.7
191.05574	6.5
205.15913	100.0
205.24649	1.1
206.16199	6.3
212.34454	1.0
248.58299	1.3
249.01506	1.4
249.07712	3.8
249.14940	48.4
249.18599	7.8
250.14865	3.0
255.58096	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33326	0.5
59.01241	6.1
60.23321	0.6
62.54928	0.6
75.00729	3.4
83.04887	1.1
87.34470	0.7
93.03297	1.7
101.02272	1.9
109.44748	0.6
117.57361	0.7
148.07742	0.7
153.90633	0.7
184.00085	1.5
184.50232	2.8
184.99995	2.4
189.03947	2.1
193.14919	0.9
205.12341	1.1
205.19620	1.3
231.17610	1.4
248.58133	2.0
249.07933	2.6
249.18579	100.0
249.57881	1.0
250.18898	5.4
256.99585	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1856
Annotation	roughanic acid
Peak:m/z	Relative Intensity
50.84171	0.3
52.96737	0.3
59.01240	5.4
61.41033	0.4
65.33208	0.4
73.02788	0.6
73.07469	0.4
75.00709	1.4
78.65736	0.4
83.04884	0.9
87.00730	0.4
93.03313	1.6
93.79732	0.4
101.02280	0.9
115.88255	0.5
123.74700	0.4
131.59935	0.4
157.61577	0.4
177.16388	0.4
184.00084	0.7
184.50208	0.8
184.99991	1.0
189.03943	1.3
191.05528	1.3
205.12285	0.8
205.19585	1.4
231.17500	0.8
247.17010	0.9
248.58173	1.1
249.08214	1.9
249.18588	100.0
250.18906	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	249.1859
Annotation	Methyl farnesoate
Peak:m/z	Relative Intensity
53.10334	0.5
56.76157	0.4
59.01243	9.4
68.97033	0.5
71.01218	0.9
73.02804	0.8
75.00723	3.8
79.95576	0.6
81.55267	0.4
83.04863	0.8
85.02800	0.7
87.00705	0.8
93.03320	2.8
93.54013	0.5
101.02312	2.4
107.02247	0.5
107.04856	0.6
109.32406	0.5
110.20632	0.5
129.01949	0.6
137.02267	1.0
143.03329	0.7
144.46574	0.6
159.32045	0.5
173.04428	0.9
177.16525	0.5
177.38673	0.5
184.00104	1.3
184.50240	2.2
184.99922	1.9
189.03989	4.3
191.05533	3.0
204.04019	0.5
205.12184	1.6
205.19565	1.4
213.30324	0.5
242.44701	0.5
248.58182	3.1
249.08170	4.5
249.18591	100.0
249.58026	0.6
250.18933	4.8
257.94522	0.5
268.77399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1857
Annotation	Methyl farnesoate
Peak:m/z	Relative Intensity
51.59572	0.7
59.01225	3.7
59.01487	0.8
73.80894	0.8
137.33775	0.8
154.03217	0.8
167.78120	0.8
205.19543	1.7
231.17490	1.7
249.18584	100.0
249.40477	0.8
250.18932	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	250.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53133	0.4
51.25088	0.5
52.27120	0.4
57.03317	0.7
58.02840	100.0
58.04025	1.3
59.01241	12.2
59.03176	0.9
71.01270	0.6
75.00697	0.7
84.59256	0.5
85.02811	0.5
88.03918	1.7
93.03310	0.6
111.00770	0.6
118.06467	0.7
129.01767	1.0
132.02901	0.7
135.84914	0.5
137.75319	0.5
147.04407	1.0
159.02948	0.7
162.09137	0.6
164.07068	55.8
165.07420	1.6
192.07867	1.6
206.08167	79.6
207.08470	2.4
226.81970	0.6
239.92931	0.6
250.07262	1.2
250.11125	0.7
250.14380	1.3
251.09372	0.8
263.40247	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	250.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.4
65.58315	0.4
70.02828	0.7
71.01240	6.2
73.33070	0.4
80.70135	0.4
88.03893	83.6
88.06017	1.4
89.04211	1.3
91.05387	5.4
105.35536	0.4
114.01834	4.9
115.00229	14.8
117.03303	0.5
131.98506	0.8
132.02896	100.0
132.06795	1.2
133.03238	1.7
133.10413	0.4
134.05978	1.4
134.72029	0.5
135.04401	3.8
175.92825	0.5
206.08142	2.5
219.20070	0.5
219.61211	0.4
231.45706	0.5
232.06177	0.8
250.07193	20.5
251.07639	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
67.49563	0.2
93.03307	0.4
102.67446	0.2
106.04113	2.7
107.04908	0.4
119.08533	1.2
121.02819	9.0
135.11668	1.2
146.14165	0.2
147.99922	0.2
154.48746	0.2
163.05138	0.8
163.11182	100.0
163.16635	1.0
164.11516	4.9
165.73285	0.2
166.18974	0.2
188.01617	0.3
189.91714	0.3
207.10243	0.3
221.72264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1076
Annotation	Effusol
Peak:m/z	Relative Intensity
53.13638	0.1
53.41554	0.1
59.01209	0.1
62.42002	0.1
74.77599	0.1
76.63670	0.2
92.02643	0.2
93.03315	20.5
93.05624	0.3
94.03651	0.5
95.04877	0.4
103.05395	0.3
104.83540	0.3
106.04073	0.8
107.04900	0.6
115.05346	0.2
117.03296	0.7
119.04894	17.9
120.05213	0.5
123.04356	0.7
130.04129	1.5
131.04922	0.7
132.05679	1.1
136.34415	0.2
143.04913	4.4
145.02731	0.2
145.06470	5.3
146.06865	0.3
156.05687	0.6
157.06494	1.8
158.07303	0.7
159.04399	0.5
171.08119	0.2
207.08179	0.3
208.08894	0.2
209.05920	0.3
209.09703	0.4
210.06813	0.2
220.03198	0.1
221.06061	0.2
222.06860	0.3
223.07765	0.2
225.86285	0.2
235.07622	1.6
236.08334	0.7
248.08453	0.4
249.09180	1.5
250.09995	2.2
251.10764	100.0
251.21011	0.9
252.11104	9.4
252.13838	0.3
270.46530	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	251.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53123	0.4
56.88597	0.8
57.18090	0.3
58.03592	0.2
59.01242	4.1
59.29565	0.2
63.12298	0.2
85.02809	0.4
92.02537	0.9
93.03312	0.5
99.00706	0.3
106.04100	5.2
107.04908	1.4
108.02020	0.4
119.04890	1.6
121.02823	5.0
129.01825	0.6
129.36269	0.2
133.06511	0.3
137.02316	0.3
159.02863	0.5
163.11220	0.4
168.91315	0.2
175.11369	0.2
177.12762	5.0
178.13164	0.3
189.12785	2.5
191.05667	0.2
203.10632	0.2
205.12285	44.5
206.12634	2.1
207.05840	0.8
207.13846	100.0
208.14195	4.9
221.11763	0.3
233.11647	0.2
251.02148	0.8
251.12883	87.0
252.13208	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	251.1288
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
51.53123	0.4
56.88597	0.8
57.18090	0.3
58.03592	0.2
59.01242	4.1
59.29565	0.2
63.12298	0.2
85.02809	0.4
92.02537	0.9
93.03312	0.5
99.00706	0.3
106.04100	5.2
107.04908	1.4
108.02020	0.4
119.04890	1.6
121.02823	5.0
129.01825	0.6
129.36269	0.2
133.06511	0.3
137.02316	0.3
159.02863	0.5
163.11220	0.4
168.91315	0.2
175.11369	0.2
177.12762	5.0
178.13164	0.3
189.12785	2.5
191.05667	0.2
203.10632	0.2
205.12285	44.5
206.12634	2.1
207.05840	0.8
207.13846	100.0
208.14195	4.9
221.11763	0.3
233.11647	0.2
251.02148	0.8
251.12883	87.0
252.13208	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	251.2015
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
54.18246	0.4
59.01247	3.7
60.33832	0.3
72.66177	0.4
84.80903	0.3
87.00729	0.5
96.68420	0.5
97.82815	0.3
98.37941	0.4
121.02862	1.0
144.06360	0.4
163.11174	8.6
233.19011	1.7
251.20154	100.0
252.20502	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	252.0512
Annotation	N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate
Peak:m/z	Relative Intensity
56.10065	0.2
56.18406	0.2
59.00071	0.8
59.01243	43.8
59.02560	0.5
61.96602	0.3
62.45313	0.2
65.60926	0.3
69.03338	0.4
71.00871	0.5
71.01241	7.1
72.12731	0.2
73.02813	0.6
81.83035	0.3
83.01247	0.5
85.02805	1.1
87.00747	0.6
87.68858	0.2
88.03892	3.5
90.76245	0.2
91.01737	1.8
93.03313	18.7
97.02774	0.4
99.00737	0.9
101.02318	1.0
103.03851	0.2
113.02267	0.3
114.01800	0.4
115.00236	12.2
116.00600	0.4
118.02854	15.2
119.04904	0.3
121.02816	1.4
125.02306	0.8
132.02910	3.3
135.99826	1.3
136.03920	100.0
136.08617	0.8
137.02325	6.9
137.04221	2.4
141.01825	0.5
146.06038	1.6
161.03220	0.3
161.04463	3.5
162.05461	0.3
162.31021	0.3
164.07060	7.9
165.07373	0.5
190.04994	0.7
193.07101	9.8
208.06090	6.7
234.04053	1.8
252.05128	26.6
253.05496	1.0
270.68069	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0733
Annotation	Neopterin
Peak:m/z	Relative Intensity
56.57220	0.1
59.01244	17.9
59.02438	0.3
60.97374	0.2
63.19165	0.1
73.02794	0.3
79.93961	1.1
79.95592	100.0
79.97422	1.6
80.95516	0.3
80.96368	0.9
83.01273	0.2
85.02785	0.4
87.00732	0.2
88.63308	0.2
91.72757	0.3
99.00740	0.3
101.02323	0.3
126.12753	1.0
131.62068	0.1
134.70613	0.2
160.11591	0.4
161.04477	1.3
164.11566	0.2
165.06532	0.1
188.11073	9.1
189.11363	0.3
193.07103	3.3
201.94862	0.2
252.07332	40.0
253.07532	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	253.0927
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
54.91853	0.2
57.03316	0.3
59.00001	1.7
59.01243	100.0
59.02316	1.2
60.01576	0.9
68.00140	0.2
69.03312	0.4
71.01237	1.4
73.02801	2.1
78.95728	0.3
83.01245	0.7
85.02811	2.0
87.00749	1.5
89.02290	0.3
95.01263	0.3
96.95895	0.4
97.02831	1.0
97.70276	0.3
99.00719	1.5
101.02299	2.5
113.02282	0.3
125.02342	1.0
141.01848	1.0
155.03426	0.7
161.04469	7.8
175.06018	0.3
191.05521	0.3
193.07104	20.6
194.07492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.9412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69116	1.0
50.69316	0.4
58.00457	6.7
59.01243	3.7
61.91513	0.3
65.84042	0.3
71.01237	0.4
72.97609	0.7
72.99165	60.2
73.00898	0.8
75.00734	3.4
85.99953	0.4
87.00732	1.2
91.01751	0.4
93.03318	13.3
95.04871	0.4
96.44295	0.5
97.56165	0.4
99.00739	3.3
103.00272	0.3
106.04109	2.4
107.02183	0.4
107.04888	19.9
108.02018	1.1
117.03362	0.4
119.04877	5.2
121.02817	2.7
123.04386	2.8
126.82073	0.4
130.04112	0.6
131.04904	3.3
133.02814	10.1
135.04393	5.0
137.05984	0.8
145.02846	0.6
147.04414	6.9
149.05975	10.7
151.04021	0.4
163.03925	2.5
165.00256	0.9
165.05470	100.0
165.11462	1.0
166.05815	2.2
175.03888	2.0
179.03407	28.8
179.25070	0.4
180.03732	0.5
181.04985	1.1
193.04987	22.4
194.05231	0.4
209.04524	1.1
211.06076	2.3
255.05098	74.4
256.05478	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.9422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69130	1.2
56.46146	0.5
57.15924	0.6
58.00461	5.3
59.01236	3.0
60.75380	0.5
61.14595	0.5
72.97549	0.8
72.99165	58.0
75.00738	3.1
85.99947	0.9
87.00745	1.7
91.72618	0.8
93.03314	13.1
96.44239	0.7
99.00735	3.3
106.04144	2.8
107.04888	18.2
108.02042	1.1
116.02182	0.6
119.04890	4.8
121.02808	2.4
123.04382	2.2
131.04871	3.8
133.02829	9.6
135.04399	4.5
137.05905	0.8
140.99513	0.6
147.04382	5.0
149.05963	9.7
163.03896	2.5
165.05467	100.0
175.03883	2.5
179.03403	30.7
181.04982	0.9
193.04990	23.6
205.46405	0.6
209.04474	2.1
211.06100	2.0
221.74437	0.6
255.05096	81.3
273.06442	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.9441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69106	1.0
50.69323	0.3
56.49488	0.3
56.54200	0.3
57.15920	0.3
57.56913	0.3
58.00455	6.7
59.01240	3.5
71.01236	0.9
72.97522	0.7
72.99164	59.3
74.01875	0.3
74.47912	0.4
75.00737	2.8
76.28380	0.3
78.38837	0.3
87.00729	1.4
93.03313	12.3
93.03906	0.6
97.56152	0.4
99.00745	3.1
102.56482	0.4
103.00251	0.6
106.04101	2.1
107.04887	18.3
108.02019	0.8
116.23425	0.4
119.04883	5.3
121.02777	2.8
123.04386	2.2
130.04091	0.6
131.04893	3.6
133.01833	0.7
133.02820	10.0
134.03600	0.4
135.04395	4.7
137.05957	1.2
145.02811	0.4
147.04390	6.7
149.05966	11.0
149.07159	0.7
160.10287	0.4
163.03893	2.6
164.99849	1.0
165.05467	100.0
166.05814	0.8
175.03949	1.6
179.03406	29.8
181.04994	0.6
183.91949	0.3
193.04985	23.5
198.10773	0.4
209.04445	1.6
211.06047	2.2
214.07051	0.4
255.05096	72.9
256.05545	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.9458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69106	1.1
50.69328	0.6
53.82975	0.2
57.15937	0.3
58.00462	6.1
59.01245	2.8
71.01270	0.4
72.97484	0.8
72.99165	55.7
75.00733	3.6
75.44087	0.4
82.31262	0.3
85.99952	0.6
87.00724	1.4
93.03316	11.5
97.56119	0.5
99.00746	3.0
106.04099	2.1
107.04887	18.2
108.01992	0.6
110.59917	0.3
119.04886	4.2
121.02803	2.4
123.04379	2.4
131.04893	3.3
133.02834	9.5
135.04387	4.1
137.05934	1.0
145.02864	0.5
147.04393	6.3
149.05969	10.5
151.03885	0.5
163.03908	2.6
164.99742	1.0
165.05470	100.0
175.03841	1.9
179.03407	28.2
181.05013	1.1
193.04985	22.1
209.04404	1.6
211.06033	2.1
255.05103	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	254.9476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69110	1.3
50.69329	0.7
52.10754	0.3
55.80211	0.3
57.84103	0.3
58.00457	5.6
59.01241	3.3
59.53508	0.3
71.01239	0.6
72.99164	55.7
73.00885	1.0
73.33034	0.3
75.00723	3.5
85.99944	0.6
87.00716	1.0
93.03315	12.0
96.44232	0.5
97.56163	0.4
99.00735	3.1
103.00222	0.5
106.04080	1.7
107.04884	17.2
108.02046	0.5
119.04895	4.8
121.02834	3.0
121.06393	0.5
123.04378	2.0
130.93291	0.4
131.04904	3.3
133.02823	9.9
135.04376	4.9
135.14091	0.5
137.05968	1.1
145.02788	0.4
147.04393	5.5
149.05969	10.2
151.03873	0.5
163.03886	2.3
165.05469	100.0
165.11320	1.0
175.03925	1.9
179.03406	28.4
181.04935	1.0
193.04987	23.0
209.04480	1.8
211.06058	2.0
255.05096	82.4
256.05338	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16636	0.3
50.69116	1.1
50.69324	0.4
57.15921	0.4
58.00460	6.0
59.01231	3.1
62.34400	0.4
66.20559	0.4
71.01251	0.5
72.99166	60.6
73.00790	0.9
75.00738	3.0
76.16737	0.4
87.00733	1.4
91.01731	0.7
93.03315	13.8
96.44298	0.5
97.56157	0.6
99.00741	2.7
103.00230	0.6
106.04090	1.9
107.04889	20.6
108.02028	0.6
114.07546	0.4
119.04890	5.6
121.02818	2.7
121.06444	0.8
123.04395	2.0
130.04124	0.8
131.04901	3.2
131.80836	0.4
132.02072	0.4
133.02832	9.1
135.04401	5.2
137.05956	1.0
145.02785	0.5
147.04399	6.1
149.05977	10.6
163.03880	2.5
165.05473	100.0
165.11060	1.2
166.05829	1.4
175.03922	1.9
179.03416	29.3
181.04980	0.8
193.04990	22.4
209.04489	1.8
211.06068	2.0
233.62675	0.4
240.31071	0.4
250.79041	0.4
251.30173	0.4
255.05103	81.1
256.05444	1.0
278.53757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69115	1.6
50.69330	0.6
58.00463	6.8
58.33663	0.6
59.01236	2.2
72.97510	1.1
72.99165	58.4
75.00726	3.6
75.42971	0.6
87.00732	1.7
91.01746	0.7
93.02757	0.9
93.03315	12.8
99.00726	3.0
106.04106	1.9
107.04884	18.4
107.05580	1.3
108.02013	0.7
119.04889	4.9
121.02814	2.3
123.04391	2.5
130.04141	0.8
131.04924	3.1
133.02814	9.4
135.04382	5.3
147.04387	6.4
149.05960	10.5
163.03886	2.3
164.99817	1.2
165.05467	100.0
166.05792	2.6
175.03998	1.0
179.03403	29.2
179.04994	1.4
180.03743	0.9
181.04962	1.0
193.04987	24.4
194.05400	1.1
209.04472	1.5
211.06046	2.2
255.05098	80.4
256.05432	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	255.0508
Annotation	PISCIDIC ACID
Peak:m/z	Relative Intensity
50.69111	1.0
50.69329	0.5
50.84784	0.2
51.20229	0.2
52.36967	0.2
56.74419	0.3
58.00459	5.7
59.01004	0.3
59.01245	3.1
60.46473	0.2
62.28416	0.3
62.43907	0.2
64.89583	0.3
67.29288	0.2
71.01233	0.4
72.99165	55.2
73.00790	1.0
75.00732	2.7
79.79605	0.3
85.99954	0.6
87.00741	1.3
88.78928	0.3
93.03315	12.1
95.01285	0.4
97.56145	0.4
99.00735	3.2
99.40464	0.3
103.00252	0.3
106.04102	1.8
107.04884	17.5
108.02031	0.7
117.03393	0.3
118.50437	0.3
119.04888	4.4
121.02818	2.7
121.06464	0.5
123.04349	2.0
130.04074	0.7
131.04890	3.5
132.02083	0.5
133.02832	9.7
135.04393	5.3
137.05913	0.9
147.04401	6.1
149.05962	11.5
151.03903	0.6
163.03914	2.4
165.05467	100.0
165.10980	1.1
166.05806	1.0
175.03876	2.1
179.03404	29.7
179.09546	0.4
181.04962	1.0
184.49767	0.3
192.96977	0.3
193.04988	23.4
209.04562	1.9
211.06026	1.6
218.63655	0.3
246.77661	0.3
255.05098	80.9
255.15688	0.9
256.05432	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95091	1.4
52.31577	0.8
56.61235	0.9
57.03296	0.8
58.00456	5.8
59.00784	2.0
59.01241	52.2
60.01580	12.2
61.01667	14.9
61.98680	1.1
62.01991	2.7
71.01237	2.0
72.99165	62.0
73.00790	1.0
73.02788	1.2
73.99490	11.7
74.99589	1.7
75.00737	6.5
76.01070	1.6
81.03298	0.9
85.02787	2.2
87.00746	2.3
93.03300	9.7
94.03655	8.0
97.02811	1.4
99.00735	4.3
100.01046	1.6
100.80279	0.9
106.04121	1.9
107.04894	11.7
108.02057	1.1
108.02805	0.9
108.05220	13.8
109.02853	1.1
115.03870	1.3
119.04884	3.0
120.05230	2.6
121.02802	2.1
122.03144	2.3
123.04366	2.3
124.00220	2.3
124.03918	1.5
124.04745	1.9
125.02237	1.3
128.03409	5.2
131.04901	1.3
132.05249	3.3
133.02795	4.6
134.03152	7.6
135.04391	2.8
136.04739	3.9
137.06013	1.5
147.04410	1.9
148.04750	5.3
149.05995	4.7
150.01877	1.3
150.06314	10.0
161.04483	1.1
162.04860	1.9
163.04932	1.9
164.04237	2.4
165.05464	46.5
166.05814	89.3
166.25410	1.0
167.05994	4.7
168.02951	1.1
176.04239	1.8
178.99748	1.5
179.03401	11.7
180.03748	24.7
188.82913	1.2
193.04999	6.7
193.07079	1.4
194.05348	23.0
194.07285	1.5
195.05672	1.2
195.07585	5.3
196.02414	1.9
196.07872	4.6
209.04507	1.5
209.40092	1.0
210.04749	2.0
212.06429	3.1
255.05083	19.5
255.23407	2.9
256.05444	100.0
256.23779	3.1
257.05478	6.9
257.10516	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0455
Annotation	1,6-Dihydroxy-5-methoxyxanthone
Peak:m/z	Relative Intensity
56.70201	0.2
57.69361	0.2
58.23058	0.2
58.37525	1.3
58.52213	0.2
59.01241	0.3
61.98263	0.2
62.29788	0.2
89.11480	0.3
118.22562	0.2
127.05393	0.2
129.06970	1.3
141.06984	0.6
147.04350	0.3
156.05649	0.3
157.06523	0.7
167.04910	0.8
168.05730	0.3
169.02901	0.7
169.06519	2.4
171.04388	1.1
172.01656	0.4
173.06012	0.3
174.03267	0.4
184.05212	6.4
185.02388	0.4
185.06000	3.9
195.04346	0.3
197.02371	8.5
198.03125	3.2
199.03889	0.8
200.04573	0.3
201.01904	1.0
211.03957	0.6
212.04736	22.6
213.05518	90.4
213.13982	0.8
214.05864	4.0
229.01306	0.4
230.02144	2.4
239.03464	0.3
256.23499	0.4
257.04550	100.0
258.04904	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	257.0817
Annotation	2,2-Bis(4-hydroxyphenyl)-propanoic acid
Peak:m/z	Relative Intensity
51.05661	0.2
58.38433	0.9
59.01237	0.5
59.67423	0.2
60.89457	0.3
65.03828	1.0
66.35730	0.2
79.01764	0.5
79.05402	0.2
81.03310	1.3
83.04877	1.2
91.73402	0.6
92.02558	0.9
93.03319	8.1
95.04906	0.6
99.35830	0.2
105.27094	0.3
106.01305	0.4
106.04107	31.3
107.02039	0.6
107.04893	45.9
107.18754	0.3
108.02032	3.6
108.05194	1.3
109.02845	1.2
111.04401	0.8
116.04463	0.2
119.04894	0.6
121.02818	8.5
122.05195	0.3
138.03078	1.3
138.26857	0.2
140.94064	0.2
151.03883	0.4
157.12256	0.4
171.08006	2.0
201.58202	0.2
211.07642	0.5
213.01154	0.7
213.09158	67.9
214.09529	4.0
247.72729	0.2
256.97525	1.0
257.08191	100.0
258.08514	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	257.0818
Annotation	Hibiscoquinone A
Peak:m/z	Relative Intensity
53.17683	1.9
54.88995	1.9
59.01233	6.5
61.98680	2.0
93.03299	4.2
96.95884	2.4
107.04890	4.0
108.37485	2.3
109.19572	2.6
145.02847	2.5
154.80975	2.6
165.92033	2.5
170.07292	5.4
171.04439	10.4
185.06064	18.9
185.09605	16.9
186.03091	3.1
186.06815	4.5
198.03130	3.7
199.03842	3.6
213.05524	26.3
213.09142	9.8
214.06261	42.6
229.08656	66.2
230.08939	3.7
256.23703	6.8
257.08215	100.0
257.11826	52.5
257.14417	3.7
257.17502	4.1
257.21259	6.9
258.08707	5.9
258.12167	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.103
Annotation	Tensyuic acid B
Peak:m/z	Relative Intensity
50.02098	0.7
52.90390	0.6
55.89541	0.7
57.03308	2.7
58.00468	1.1
59.01244	41.3
59.02382	0.7
62.17514	0.8
69.03308	2.3
71.01241	3.7
71.04874	2.4
72.38947	0.8
72.99160	1.3
73.02809	4.6
74.40013	0.7
75.00713	1.1
75.98200	0.7
81.03308	2.5
83.01247	1.1
83.04865	2.7
84.02026	1.8
85.02802	2.8
87.00726	5.2
93.03324	1.3
95.04890	3.2
97.02834	2.0
97.06433	5.5
99.04377	3.1
100.69054	0.9
101.02297	6.8
107.04874	1.6
109.06432	3.1
111.04366	2.3
111.08009	1.4
113.02311	2.1
113.05944	11.1
115.03876	47.2
116.04215	1.5
125.05911	1.5
127.07526	4.5
129.05397	1.0
130.08585	1.2
133.10106	14.9
135.07991	1.1
139.11180	7.9
151.11169	9.6
153.09109	1.3
155.07031	2.6
177.09114	2.2
183.10205	2.3
195.10185	9.7
213.09268	1.4
213.11226	13.2
215.09261	2.7
239.09258	2.8
257.10318	100.0
257.24008	1.0
258.10568	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	257.2122
Annotation	2-Methoxytetradecanoic acid
Peak:m/z	Relative Intensity
53.78158	0.3
54.24223	0.3
57.03323	0.3
57.22918	0.3
59.01234	0.7
71.01247	0.3
74.02320	1.5
91.73288	0.4
92.87949	0.4
93.03328	0.9
99.08000	1.6
101.02312	0.7
106.04108	0.9
107.04871	1.0
107.60629	0.3
113.02299	0.6
116.36171	0.3
136.88832	0.4
139.11028	0.4
141.12721	1.0
163.83340	0.3
201.29486	0.3
211.20595	1.6
213.09109	1.9
239.20195	2.6
253.97987	0.3
255.19743	1.1
257.08176	2.4
257.10605	1.0
257.21228	100.0
258.21573	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	259.0225
Annotation	alpha-D-galactose 6-phosphate
Peak:m/z	Relative Intensity
59.01241	0.3
60.27305	0.2
67.91103	0.2
71.01240	0.3
78.93821	1.5
78.95759	100.0
78.97449	1.3
86.30582	0.2
86.97154	0.2
96.94176	1.2
96.96819	92.7
96.99112	1.1
100.53925	0.2
101.02316	0.7
138.97890	7.1
138.98972	0.3
150.97896	0.2
168.98973	3.4
174.73715	0.2
190.87886	0.3
197.52661	0.2
198.90483	0.4
199.00043	3.2
222.99942	0.4
239.04628	0.2
240.91568	0.2
241.01183	3.7
259.02243	30.4
260.02576	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35461	0.5
55.01746	2.3
59.01241	0.6
61.12421	1.3
61.12689	0.5
67.31549	0.6
83.55360	0.5
93.03320	0.6
95.04887	3.6
96.95863	0.6
99.02758	0.5
109.02797	1.2
111.04363	1.3
122.03592	2.6
123.04372	1.4
131.04988	0.7
133.06458	1.3
135.04390	1.2
136.05179	1.1
143.04878	1.1
145.02853	0.6
146.03606	2.5
147.04413	1.4
148.05132	0.7
159.04379	2.8
160.05194	3.4
161.05975	14.6
172.05136	1.3
173.02376	1.1
174.03159	0.9
174.06810	0.7
175.03844	1.4
176.98030	1.3
185.05994	0.7
185.09622	0.9
187.03909	4.4
187.07509	0.7
187.11171	0.9
188.04700	4.1
188.08284	0.8
189.05452	2.5
189.09126	1.3
199.07585	0.9
201.05510	3.9
203.10715	9.5
213.09148	3.1
215.03436	0.9
215.07037	2.7
215.10777	3.7
215.14386	0.7
216.04353	1.2
216.07867	9.8
229.08702	2.0
231.10223	50.5
232.10579	2.5
244.07419	2.7
254.34474	0.6
259.02567	3.3
259.09750	100.0
259.18866	1.1
260.10107	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	259.0975
Annotation	Echinolactone B
Peak:m/z	Relative Intensity
50.43910	0.6
51.90870	0.5
53.87038	0.8
55.09455	0.7
56.98116	0.6
58.89174	1.0
59.01235	1.3
103.51425	0.7
108.02030	0.8
116.41776	0.7
122.03621	0.9
123.04376	2.8
126.03432	0.8
144.05685	1.9
147.04410	3.4
159.04387	0.7
160.05165	1.5
171.04459	2.4
172.05179	2.5
173.05832	0.7
175.03906	2.4
176.97964	3.8
185.06007	15.1
187.11192	4.7
197.09651	1.7
199.07559	4.5
200.08331	8.7
213.09149	13.3
215.10736	49.2
216.11061	3.1
229.08717	0.8
229.12323	0.9
231.10173	2.9
244.07411	5.5
258.98764	1.9
259.02457	2.2
259.09766	100.0
259.13095	3.4
260.10165	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	259.0975
Annotation	Hemigossypol
Peak:m/z	Relative Intensity
50.52101	0.3
59.01226	0.5
59.21664	0.3
59.84203	0.3
61.12431	0.5
61.84514	0.4
71.41165	0.4
81.11703	0.4
82.19613	0.4
94.34599	0.4
108.02000	1.1
119.04937	0.6
121.02808	1.7
131.04811	0.7
136.01564	0.5
143.04883	0.6
147.04413	4.6
150.03134	2.1
159.04395	2.2
160.05150	1.1
173.02275	0.9
174.03084	1.1
175.03870	1.2
176.98047	0.8
185.09903	0.4
186.03145	1.1
187.03928	6.3
187.11180	0.6
188.04639	3.0
193.34340	0.5
202.02754	0.5
202.09946	0.7
203.10738	2.6
213.09108	0.5
214.02623	0.5
215.03438	1.4
215.10667	1.3
216.04222	8.7
216.07825	0.8
217.04680	0.5
218.37495	0.5
220.03725	1.7
221.84251	0.5
229.08659	1.1
230.09386	4.3
231.10219	20.1
232.10590	1.1
257.08167	0.9
258.08905	0.5
259.09753	100.0
259.21069	0.9
259.40073	0.4
260.10178	5.9
266.82089	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0975
Annotation	2,9-Epoxylacta
Peak:m/z	Relative Intensity
54.84785	0.4
58.89133	1.3
58.89458	0.6
59.01254	0.4
67.15553	0.5
73.80923	0.4
88.42050	0.3
97.18418	0.4
108.46501	0.4
131.04880	0.6
143.04901	15.9
144.05710	3.6
146.85207	0.4
147.04376	0.7
148.16794	0.4
158.03607	0.9
159.04362	0.6
170.98558	0.6
171.04411	43.8
172.05196	20.2
173.05582	0.6
175.03893	0.9
176.97972	0.7
185.05948	0.6
186.03143	0.6
188.66718	0.4
204.04219	0.9
215.02359	1.0
215.10716	100.0
216.04199	0.7
216.11061	4.3
231.10202	1.2
241.51265	0.4
258.98834	0.7
259.09753	81.9
260.10104	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	259.0976
Annotation	Hemigossypol
Peak:m/z	Relative Intensity
55.18650	0.4
59.01215	0.9
61.12388	1.5
86.12241	0.5
91.73330	1.2
105.16890	0.5
106.33717	0.6
111.04375	0.6
122.03587	1.7
129.89189	0.5
131.04909	0.8
143.04916	0.6
144.05649	2.1
145.02802	1.1
146.03604	1.0
147.04359	1.7
147.08043	0.9
148.05191	0.5
159.04416	9.2
159.11624	0.8
160.05206	7.7
173.05983	0.7
174.03152	0.9
175.03902	1.1
175.11171	1.9
176.04669	1.4
176.98027	1.0
187.03915	2.3
187.11244	0.7
188.04732	7.0
203.10715	26.4
204.11055	1.6
215.03387	1.0
215.10736	1.8
216.04169	2.4
221.84184	2.0
223.83948	1.0
231.10236	70.8
232.10565	4.0
248.25325	0.6
258.21515	0.9
259.02432	1.6
259.09766	100.0
260.10098	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	259.0975
Annotation	Pseudoneolinderane
Peak:m/z	Relative Intensity
53.99115	0.4
54.35663	0.5
58.42657	0.5
58.89157	1.2
58.89433	0.9
59.01225	1.3
63.84176	0.4
83.04885	1.3
87.00677	0.7
107.78232	0.6
108.46903	0.5
108.76981	0.5
118.09396	0.5
122.03544	1.2
123.04369	3.5
131.04875	0.6
136.05220	0.8
144.05672	1.3
147.04440	3.3
157.06480	0.8
160.05171	1.5
171.04427	1.1
172.05167	3.3
173.05994	1.1
174.06714	0.7
175.03888	4.0
176.90044	0.8
176.98007	2.7
185.04384	1.0
185.05995	13.5
187.07457	0.7
187.11180	2.6
188.04631	0.7
197.09677	1.2
199.07512	4.2
200.08351	8.3
208.74820	0.7
213.09163	14.2
214.09564	1.1
215.10718	48.6
216.04263	1.0
216.07809	0.7
216.11099	2.1
228.20914	0.6
231.10197	4.3
244.03603	0.6
244.07384	5.0
259.09753	100.0
260.10153	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	259.0975
Annotation	Hemigossypol
Peak:m/z	Relative Intensity
54.58599	0.1
65.64625	0.1
66.11536	0.1
68.76109	0.2
68.99666	0.6
108.02032	0.5
109.02837	0.2
117.03342	0.3
119.04886	0.5
121.02804	0.4
122.02779	0.2
122.03603	3.6
124.01502	0.5
130.04109	0.1
131.04904	0.2
132.05621	0.1
133.02737	0.2
134.03598	0.5
136.01552	1.4
137.02309	0.3
143.04893	0.3
145.02844	1.0
146.03633	1.2
147.04404	2.3
148.05197	0.7
149.02310	0.5
149.06024	0.2
150.03127	1.0
158.03644	0.2
159.04419	3.5
160.05199	6.8
161.02353	0.9
161.05663	0.2
162.03134	0.5
171.04428	0.4
171.08145	0.2
173.02359	0.9
173.05884	0.2
174.03113	1.7
175.03918	1.7
175.11192	0.2
176.04655	0.3
176.97977	0.3
181.84338	0.1
182.02103	0.5
185.09621	0.2
187.03934	3.8
187.07521	0.2
187.11224	0.2
187.97839	0.1
188.04712	8.6
188.08334	2.6
189.05086	0.4
199.03978	0.3
199.07645	0.3
201.01947	0.3
201.05484	0.6
202.02692	0.6
203.03255	0.4
203.10713	9.0
204.11055	0.4
206.02167	0.2
213.09178	0.3
215.03438	1.7
215.07028	0.2
215.10686	0.2
216.04236	9.4
216.07596	1.7
217.04639	0.5
221.84103	0.2
231.10234	14.0
232.10649	0.6
258.98450	0.9
259.09756	100.0
260.10095	5.7
260.12991	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	259.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66627	0.5
55.01748	0.7
57.03303	2.6
58.00444	1.2
59.00972	1.1
59.01242	13.0
60.48247	0.5
69.03307	2.4
71.01236	1.6
71.04890	3.1
72.00747	0.9
72.99158	1.6
73.02811	6.0
78.95766	1.1
80.02516	0.8
81.03307	2.2
83.04882	21.5
85.02785	0.9
85.06441	1.4
86.02323	6.3
87.00736	9.1
87.04377	4.1
88.03904	0.9
92.04908	7.0
93.03335	0.7
95.04886	5.9
96.96819	1.4
97.02792	1.3
97.06450	1.6
98.03587	3.1
99.04372	2.1
101.05933	7.7
107.04874	1.9
107.96246	0.6
108.01944	0.7
109.06448	20.0
110.06809	0.7
111.04369	6.0
113.05942	8.7
115.03881	2.5
116.04932	6.0
119.08513	0.7
121.06419	0.8
123.04306	0.9
123.08025	1.4
125.05901	0.9
125.09590	4.1
127.07520	57.9
127.11125	0.8
128.03381	0.8
128.07860	1.0
129.05438	6.6
129.09081	1.3
130.08640	0.7
137.05994	1.2
137.09604	2.2
139.07530	0.8
141.05424	1.6
141.09052	2.4
142.06525	2.1
144.08044	0.8
151.07556	0.6
155.07033	3.1
161.09624	2.5
167.10603	0.9
169.08716	3.2
171.09171	6.2
177.09096	1.8
179.10701	1.6
181.12294	1.6
185.08249	0.9
195.10201	5.2
197.11766	2.5
199.09731	2.0
200.09163	1.0
215.08208	10.9
217.10768	9.2
221.11804	0.9
239.12906	3.4
241.10724	1.0
258.99362	0.7
259.06964	2.3
259.11987	5.9
259.15509	100.0
260.11475	1.4
260.15842	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	260.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29971	0.8
53.64116	0.9
53.64592	0.7
57.03301	2.6
59.01232	4.4
70.02827	1.2
70.93273	0.8
71.01231	3.0
72.00766	9.5
72.04408	13.5
73.02791	2.5
73.03893	0.9
74.02328	11.9
78.95761	24.4
79.95124	1.1
79.95591	24.3
80.96338	3.3
82.02838	45.8
83.01237	4.5
83.04856	2.5
84.04379	4.5
85.02800	1.5
86.05970	8.6
87.00730	13.5
88.03883	1.8
89.02225	0.8
93.03320	23.1
93.03908	1.3
96.00754	3.5
96.04405	2.9
96.96835	11.2
97.02790	1.4
98.02335	31.2
99.00737	5.8
99.04361	1.9
100.01053	1.1
100.03898	29.7
101.02306	8.2
101.04198	1.1
101.07062	1.0
103.00183	0.9
106.04099	4.4
107.04881	2.9
109.02816	4.6
112.03897	5.6
113.02296	1.2
113.03426	2.0
114.01846	3.1
114.05470	12.4
115.00246	2.3
115.03851	2.3
115.05020	2.2
119.04895	62.1
120.05306	1.5
123.00498	1.0
126.09121	1.6
127.03880	8.8
127.04775	1.4
128.03392	11.1
130.04967	2.1
132.06534	22.6
134.06050	1.2
135.04411	7.9
136.04768	1.0
136.07549	8.8
138.05453	0.9
138.97884	1.6
142.08623	3.9
145.06091	3.6
146.04420	1.3
152.07094	4.6
153.01830	1.9
154.08641	3.4
157.01300	1.3
163.03903	11.0
163.06055	2.7
168.06599	2.0
170.08133	3.7
171.02916	12.6
172.09668	1.3
173.00742	1.6
174.01579	1.3
174.04016	2.0
175.02237	0.9
180.06573	71.1
181.06842	3.3
183.05190	0.9
185.99881	4.8
196.06085	3.1
198.07655	17.0
199.00633	34.6
200.00932	1.6
200.05544	1.5
214.07162	11.9
215.00140	15.3
216.00531	1.1
216.08788	4.6
225.05101	3.6
241.99698	1.9
242.06664	18.9
242.99574	1.5
243.06297	2.5
251.69989	1.0
260.02353	100.0
260.07751	89.0
261.02670	5.6
261.06183	17.0
261.08459	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51120	0.5
53.23326	0.6
57.61937	0.4
59.01246	0.5
65.00165	0.5
68.99660	0.4
69.29941	0.3
71.26624	0.3
72.99172	0.4
77.03815	0.7
77.52972	0.3
79.01748	0.3
85.02822	0.4
85.15083	0.3
89.03808	1.1
91.73412	0.5
93.03320	0.6
95.04875	0.9
98.25581	0.4
99.43259	0.4
105.03318	2.2
107.01231	1.5
109.02809	0.4
117.03321	5.0
119.01263	0.8
121.02799	2.4
123.04390	2.4
132.02010	1.4
133.02831	19.4
135.00755	0.8
135.04396	0.8
137.02296	0.5
145.02826	3.0
146.02341	0.9
146.05974	0.4
147.00778	1.5
148.01518	0.9
149.02316	3.6
152.01076	0.4
152.84714	0.4
158.05975	2.2
160.01563	1.7
161.02332	16.6
161.99480	1.1
162.02602	0.9
163.00250	3.4
163.03851	0.5
171.03679	0.5
173.02296	0.5
174.05489	0.7
175.00276	1.3
176.01021	1.0
177.01849	19.7
178.02165	1.0
178.99820	0.4
179.03366	0.6
180.04224	0.8
189.01846	5.4
190.99661	0.4
202.05017	1.4
202.99773	1.0
203.09698	0.3
205.01363	24.2
206.01726	1.1
217.01346	1.4
218.99324	0.5
222.99306	0.3
231.99908	0.4
233.00899	0.8
243.12337	0.5
261.00406	100.0
261.13358	1.2
261.65948	0.3
262.00748	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	261.1131
Annotation	Epoxyzinamultifloride
Peak:m/z	Relative Intensity
55.19535	0.4
56.41111	0.3
61.62888	1.0
61.63231	0.7
74.22646	0.3
74.72430	0.3
83.04871	0.3
85.97744	0.3
91.73326	0.5
93.03243	0.3
97.06426	1.2
99.08009	0.9
107.04884	0.6
118.80164	0.3
121.02860	0.8
121.06439	1.6
122.03520	0.4
123.04382	1.2
125.05935	0.7
135.04369	1.0
136.05144	1.0
143.00620	0.4
147.04367	0.7
148.05177	5.8
149.04802	0.6
149.05963	11.7
150.07283	0.3
161.06078	0.5
162.06702	1.2
172.05182	0.4
173.05998	0.4
175.03883	0.8
189.05457	1.7
190.06233	1.0
191.07120	0.4
191.10681	0.9
202.09998	0.5
203.10658	0.4
205.12320	1.0
209.38947	0.6
215.10764	0.6
217.08815	0.4
217.12289	8.0
218.05780	1.8
218.09457	1.2
233.11798	100.0
233.21463	0.8
234.12140	5.2
243.10236	0.4
259.09720	0.4
261.11322	57.6
262.11618	2.3
276.31720	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87957	0.3
51.16640	0.3
53.96965	0.3
56.61217	0.3
57.23416	0.3
59.01226	1.0
59.01505	0.3
59.39888	0.6
59.59257	0.3
60.42322	0.3
61.62934	0.5
67.01759	0.4
67.05380	0.9
68.85342	0.3
80.02552	0.6
82.21592	0.3
83.04890	0.6
83.24306	0.3
87.00726	0.5
87.04353	0.4
90.75426	0.3
91.05363	0.8
92.02533	1.3
93.03317	2.5
95.04874	0.9
96.96780	0.3
97.02795	1.0
106.04206	0.3
107.04875	0.7
108.02023	0.4
108.05116	0.3
109.02784	0.7
109.06471	0.6
111.04361	0.5
113.05953	0.7
119.08493	0.5
121.02833	1.2
121.06449	2.9
121.10024	0.3
122.03603	1.4
123.04422	0.4
125.02293	0.4
129.93613	0.4
133.06496	0.5
134.03600	0.4
135.04402	4.0
135.08017	2.2
136.05138	0.5
136.93890	0.7
137.02264	0.9
137.05949	2.1
139.07494	0.9
145.02798	0.5
145.06470	0.9
147.04338	0.6
147.08006	1.0
148.05200	3.5
149.05978	4.2
159.04379	0.7
161.02281	0.6
161.05986	0.5
162.03079	0.7
163.07541	18.0
164.07849	0.6
170.88158	0.4
172.05267	0.4
173.05991	0.3
174.06775	0.8
175.03883	0.8
175.07486	0.5
177.05446	0.4
178.94952	1.2
178.97723	0.6
179.03436	1.0
187.07555	0.4
189.05499	0.5
189.09142	3.6
189.12787	1.4
191.10733	0.4
199.11250	0.5
202.09901	1.7
204.04211	0.4
205.12154	0.5
215.10776	0.9
217.12291	23.5
218.05801	1.1
218.09442	0.8
218.12589	1.2
233.11798	20.6
234.12123	1.0
243.10254	0.5
249.11319	2.2
261.11322	100.0
261.22125	1.6
262.11667	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	261.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.2
59.01242	0.2
64.20662	0.2
81.03323	0.2
83.04874	0.6
84.11757	0.2
87.00665	0.2
93.03319	0.3
97.06446	7.0
106.04095	0.9
107.04894	2.9
108.02058	0.3
109.02797	0.7
109.06463	0.4
119.04890	4.6
119.05740	0.2
120.05647	0.2
121.06467	0.2
122.03627	0.4
125.02323	0.3
131.04898	0.4
132.05672	0.5
133.06470	10.9
134.03604	0.3
134.07333	0.7
135.04391	1.1
135.08020	1.7
136.93942	0.2
137.02290	0.4
143.04910	0.4
144.05692	7.9
145.02820	0.2
145.06042	0.4
146.03607	0.4
147.04474	0.3
147.08037	0.2
148.05208	0.3
149.05927	0.9
159.04446	0.8
159.08032	0.4
160.05168	0.9
161.05977	22.4
162.06381	0.9
175.03906	0.2
175.07512	0.6
175.11168	0.5
177.09167	0.2
178.95024	0.2
178.97649	0.2
179.03452	0.2
184.08839	0.6
187.07530	0.3
187.19861	0.2
189.12842	0.4
199.11214	3.9
200.11646	0.2
201.09100	0.9
202.09914	0.3
207.50854	0.1
215.10651	0.8
217.12288	100.0
217.21031	0.9
218.05655	0.2
218.12634	6.0
233.09648	0.3
233.11812	3.5
234.12216	0.2
243.10214	0.2
261.07697	0.9
261.11279	2.8
261.14218	0.2
262.11725	0.2
269.71259	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	261.1133
Annotation	Chlorantene C
Peak:m/z	Relative Intensity
51.75573	0.4
54.91459	0.3
59.01216	0.9
61.62895	0.4
61.98677	0.6
62.96581	0.7
62.96846	0.4
65.02449	0.7
65.02767	0.4
74.37329	0.4
83.04852	0.6
86.90028	0.4
87.00685	0.4
87.04872	0.4
91.73260	0.5
93.03299	0.5
101.91107	0.5
108.02048	1.0
109.02798	0.7
121.02780	0.5
121.31441	0.4
122.03593	1.2
123.04408	0.6
125.02329	0.9
131.04869	0.5
135.04384	1.6
136.93863	1.6
137.02321	1.0
145.02821	0.5
145.59482	0.4
146.03619	0.5
147.04404	1.4
148.05194	1.0
149.05965	3.0
158.03656	0.8
159.04419	1.4
160.05180	1.8
161.05972	0.6
162.03047	0.5
171.04407	1.0
172.05197	6.0
173.05751	0.8
175.03902	0.8
177.05467	0.9
178.94911	2.0
178.97705	1.0
186.03148	1.4
187.03963	0.9
187.09720	0.5
187.11166	1.0
188.04686	1.3
188.08264	0.8
189.05487	0.9
199.04048	2.3
200.04712	8.7
203.10713	3.3
204.04202	2.1
213.09161	0.7
215.10728	4.7
216.04254	1.8
217.08620	0.5
217.12247	3.6
218.05733	1.8
228.05418	0.5
231.10242	4.5
232.03726	3.5
233.11823	14.0
234.12129	1.0
243.10251	23.8
244.10567	1.5
246.05457	0.5
259.09756	21.3
260.10150	1.2
261.00415	1.2
261.08002	3.0
261.11319	100.0
262.11722	6.6
266.33337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1132
Annotation	Strychnistenolide
Peak:m/z	Relative Intensity
51.92603	0.2
59.01235	0.5
59.39886	0.7
61.62913	0.7
61.63205	0.5
66.93607	0.3
67.85170	0.3
77.46419	0.3
80.37859	0.3
83.04871	0.6
93.03321	0.3
96.96870	0.3
97.06433	0.9
99.07993	0.6
107.04859	0.9
109.02808	0.3
111.08067	0.3
119.04955	0.4
121.02869	0.3
121.06425	0.8
122.03577	1.6
123.04383	4.1
125.05962	0.3
131.04903	0.5
133.06425	1.5
134.03506	0.4
134.84421	0.3
135.04387	0.8
135.08051	0.3
136.05154	0.8
137.02278	0.5
137.05981	1.7
139.07516	0.7
144.08395	0.3
147.04404	1.0
148.05197	2.6
149.05971	8.8
159.04376	1.6
160.05199	0.5
161.02333	1.0
161.05994	1.7
162.03137	1.6
162.06758	2.6
163.03854	0.3
163.88908	0.3
172.05150	1.0
173.05946	1.3
174.06735	1.1
175.03938	1.7
175.07516	1.0
177.05495	1.2
184.08867	0.7
185.05942	0.8
187.07542	1.1
189.05492	4.1
189.12799	0.6
190.06233	2.3
191.10675	0.5
199.11176	0.9
200.04802	0.4
200.08279	0.5
201.05550	1.8
201.09099	0.7
202.05789	0.3
202.09941	2.9
203.03375	0.9
203.07007	0.8
205.12227	0.7
213.09167	0.3
215.10728	0.8
216.04208	1.3
217.04962	1.2
217.12286	33.9
218.05800	15.8
218.09108	0.5
218.12630	1.8
219.06273	1.0
221.80493	0.3
228.07938	0.8
231.10196	0.8
233.11798	40.4
234.12148	1.7
243.10120	1.6
259.09793	1.0
261.00333	1.0
261.11322	100.0
262.11655	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	261.1132
Annotation	Ferulidin
Peak:m/z	Relative Intensity
59.01203	0.8
61.62942	0.8
65.57652	0.4
76.79597	0.5
93.03319	1.1
97.02810	1.4
97.06453	0.7
107.04874	2.4
108.02018	1.3
109.02806	1.2
111.08028	1.2
119.04909	0.7
121.02785	0.9
121.06448	2.2
122.03607	17.1
123.04377	1.5
125.05937	1.3
131.04872	2.5
133.02821	2.5
133.06447	2.4
134.03610	8.5
135.04419	7.8
135.08066	0.6
135.35587	0.6
137.02339	1.1
137.05946	1.4
139.07527	7.7
145.02875	0.6
146.03641	0.7
147.04388	4.4
148.05190	39.3
149.05980	24.3
159.04439	5.6
160.05219	0.9
161.02338	5.3
161.05963	1.9
162.03119	7.8
162.06702	1.0
171.04391	0.7
172.05231	2.8
173.05867	0.5
174.03101	1.0
175.03917	12.3
175.07549	0.8
176.04706	11.4
177.05482	16.4
177.09070	0.8
178.05864	0.7
179.03409	0.9
189.05423	1.3
189.09131	0.8
189.12773	2.1
190.06371	1.0
199.11217	2.2
200.04716	1.1
202.09879	1.6
203.03610	0.7
204.04155	4.8
205.12286	1.0
215.10788	1.5
217.08797	5.8
217.12279	15.2
218.05855	3.3
218.09367	5.7
218.12628	0.8
231.10297	1.7
232.11014	12.2
233.11810	44.4
234.12206	2.1
243.10237	3.7
246.08992	1.1
259.09543	1.3
261.11331	100.0
262.11691	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	261.1132
Annotation	Cinnamacrin B
Peak:m/z	Relative Intensity
50.45056	0.3
52.35163	0.3
55.01747	0.5
59.39857	1.0
59.40129	0.7
69.28088	0.4
83.04857	0.4
107.04880	0.6
122.03582	0.9
123.04375	0.5
135.04405	1.2
136.05170	13.5
136.41148	0.4
138.03154	1.8
145.02811	0.6
147.04375	1.6
148.05176	1.8
149.05945	1.8
150.03113	4.3
159.04344	0.7
160.05191	1.7
162.06728	2.6
173.05983	3.8
174.05379	0.7
174.06764	8.2
175.07515	0.6
183.37590	0.5
186.66255	0.4
187.07552	0.8
189.12706	0.5
191.03224	0.4
199.07584	0.7
201.09132	1.1
202.09923	12.5
202.11761	0.8
203.10307	0.4
204.04167	0.4
217.04443	1.0
217.12288	100.0
218.05759	0.4
218.12619	5.3
230.24648	0.4
233.11806	10.6
234.12172	0.7
243.10257	1.1
259.09790	0.6
261.11322	46.8
262.11545	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	261.1132
Annotation	Marasmic acid
Peak:m/z	Relative Intensity
53.67486	1.0
57.43746	1.1
58.30027	0.9
59.01239	2.1
69.03343	1.3
93.03360	1.6
96.03211	1.4
97.31151	1.3
107.04944	2.0
109.02839	1.4
118.14156	1.2
119.04955	1.4
121.02801	3.3
125.02332	2.1
125.09598	1.6
130.04103	8.4
135.04399	1.6
136.93903	2.6
137.02328	1.2
143.04926	9.8
144.05612	3.1
145.02769	1.6
145.06471	2.4
149.05957	1.8
159.04350	1.8
172.05237	2.0
174.03239	1.5
175.03917	2.1
177.05484	1.6
178.95000	5.0
178.97650	3.0
185.09581	1.6
187.11212	43.0
188.11613	2.2
189.05426	1.4
189.09125	1.3
189.12732	1.7
199.11198	5.5
215.10724	24.2
217.08763	1.3
217.12306	15.5
217.15755	1.5
218.12617	1.7
231.10315	9.6
233.11736	7.1
243.10185	3.5
259.09763	39.3
260.10022	2.4
261.07846	6.4
261.11316	100.0
261.22211	2.1
262.11633	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23508	0.2
56.74744	0.3
57.03074	0.3
57.03315	3.0
57.04723	1.2
57.05029	0.4
59.00119	0.4
59.01242	26.1
59.02450	0.4
60.55620	0.3
60.99163	0.3
61.63629	0.3
71.04510	0.5
71.04880	6.7
73.02792	0.7
75.00725	0.7
81.01536	0.3
83.04864	0.6
84.02027	0.7
85.06438	0.7
87.00735	0.9
88.03873	0.4
95.04865	0.7
97.06439	3.0
99.08002	1.4
109.06441	0.5
127.11153	4.9
135.08069	0.3
137.09593	5.3
139.10083	0.7
139.11165	12.7
140.11475	0.4
153.12741	1.4
155.10675	4.3
157.12234	5.1
163.11177	1.8
181.08638	2.2
181.12250	6.8
183.10175	6.4
197.11711	1.8
199.09657	0.6
199.13321	16.3
200.13692	0.7
201.11253	75.4
202.11630	3.2
225.11284	0.9
243.09862	0.7
243.12363	14.5
244.12677	0.9
261.13440	100.0
261.24884	0.8
262.13785	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	261.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47771	0.4
54.65414	0.4
56.74720	0.5
57.03300	2.0
57.04723	1.7
57.13704	0.4
59.00133	0.4
59.01242	23.5
59.02483	0.4
59.58688	0.4
69.93633	0.4
71.01236	1.2
71.04871	4.6
72.99155	0.5
73.02789	0.5
75.00724	3.9
77.87611	0.4
80.78531	0.4
81.44987	0.4
83.04874	3.8
85.06439	10.7
87.00732	3.8
87.04356	0.7
88.03876	1.0
90.98454	0.8
95.04855	0.5
97.06449	0.7
99.08001	1.5
109.01568	1.2
109.06470	0.9
111.08025	1.0
125.09558	1.5
126.68546	0.5
127.07550	0.9
127.11141	3.4
129.09056	1.3
137.09584	3.6
139.11162	4.1
153.12761	0.7
155.10686	2.6
157.12234	5.9
159.96872	0.4
163.11192	0.6
173.08147	0.6
181.08638	3.0
181.12273	4.2
183.10190	4.9
187.09760	0.5
195.25122	0.6
195.26843	0.5
197.11699	1.1
199.13333	19.2
200.13748	0.8
201.11253	76.2
202.11523	2.9
202.33455	0.5
205.08838	0.5
225.11340	0.9
243.12369	11.7
244.12741	0.6
261.13443	100.0
262.13705	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	261.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33898	0.2
57.03316	4.1
58.00463	0.6
59.01243	2.1
59.51863	0.2
69.66364	0.3
71.04503	0.5
71.04877	6.7
72.26581	0.2
74.02323	1.6
79.13148	0.2
79.55186	0.2
83.04880	0.8
85.06441	6.7
87.00735	3.6
88.03921	0.5
95.04881	1.6
98.02319	0.5
98.03612	0.5
99.04398	0.3
101.05948	4.4
102.70317	0.2
104.93499	0.5
109.06474	1.8
111.08015	2.3
113.05945	3.5
116.03403	1.0
125.09600	1.2
127.07520	9.2
129.05402	2.6
129.09084	56.8
129.13197	0.4
130.09422	1.8
132.04469	0.5
139.11163	0.3
141.09096	0.8
143.10632	1.1
157.08606	2.4
163.11183	3.1
169.08592	1.1
173.04443	0.3
179.10686	0.6
181.12236	0.6
183.10132	0.4
199.13286	0.8
217.14447	0.5
243.16083	0.5
259.15521	1.3
260.15826	0.3
261.17078	100.0
262.17429	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	262.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01014	1.4
59.01242	14.9
62.36266	1.6
71.01237	20.3
72.00755	2.9
73.02792	5.1
75.00747	1.8
82.02849	2.7
87.00694	2.9
88.03905	15.0
89.02308	3.6
91.05391	1.9
96.00758	6.6
98.43963	1.5
109.01555	96.5
114.01825	5.2
115.00231	35.7
116.04964	1.8
118.06474	2.9
131.04892	11.2
133.06508	2.4
146.06001	100.0
147.04404	24.0
147.06331	4.9
156.08083	6.5
164.06989	3.5
172.07529	1.8
174.09123	6.6
175.07573	4.9
176.07072	5.0
187.09773	3.7
194.08185	1.9
200.07138	14.5
201.11375	2.2
202.05084	2.1
202.07082	2.2
218.08168	66.0
219.08549	4.1
219.13884	3.2
244.06157	31.3
245.06311	2.3
261.13498	9.8
262.07208	71.0
262.13629	10.6
263.07712	3.9
263.12827	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	263.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07827	0.3
55.55220	0.2
59.01239	0.8
65.03822	0.5
68.53853	0.4
68.99667	0.3
69.03316	0.4
75.79635	0.2
79.44866	0.3
89.02309	0.7
89.64981	0.3
91.05390	0.4
93.03326	1.1
95.04894	1.6
103.05402	0.6
105.03330	0.6
111.00723	1.1
112.26677	0.3
119.04868	1.7
121.02814	2.6
123.04382	9.7
126.58797	0.3
126.60839	0.3
133.02832	14.8
134.03166	0.5
135.04465	0.4
139.03865	0.6
147.04407	6.9
148.01566	1.5
149.02330	57.9
149.07135	0.7
150.02707	1.5
150.03798	0.3
151.03900	11.3
152.04181	0.4
155.03516	0.3
157.02809	1.9
163.03906	1.5
173.02319	0.4
175.03917	5.2
176.07004	0.7
177.01799	2.4
191.03423	22.0
192.03758	1.3
201.01889	0.9
206.87874	0.4
219.02945	100.0
219.11400	1.1
220.03296	6.2
220.06068	0.9
245.00948	0.4
263.01981	13.1
263.12915	0.5
264.02466	0.7
264.05103	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07814	0.4
59.01239	1.4
68.99671	0.5
69.03307	1.5
75.40559	0.5
89.02319	1.1
89.69986	0.5
93.03303	1.1
95.04904	1.1
105.03297	0.5
106.99379	0.5
107.03649	0.9
108.02053	0.6
109.73799	0.5
111.00748	1.2
119.04897	2.0
121.02822	3.0
123.03529	0.6
123.04389	9.5
133.02832	14.5
135.04347	0.6
139.03851	0.5
147.04405	7.1
147.06668	0.7
147.72206	0.6
148.01538	1.4
148.97221	0.7
149.02332	55.0
150.02675	2.7
151.03899	11.7
157.02893	2.4
163.03935	1.9
170.69409	0.5
173.04527	0.5
175.03961	4.2
176.07043	2.4
177.01869	1.9
178.39635	0.6
191.03439	20.6
192.03847	0.6
219.02951	100.0
219.13863	1.5
220.03284	5.4
220.06207	3.2
263.01993	12.9
263.12918	1.1
264.02405	1.1
264.05170	1.5
265.46591	0.5
274.76007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07841	0.4
55.80346	0.3
59.01243	2.3
65.03824	0.5
68.99674	0.7
73.02798	0.4
86.99319	0.3
89.02280	0.6
90.82313	0.3
91.05358	0.5
93.03321	1.3
95.04874	1.7
95.75739	0.3
96.95885	0.6
103.05415	0.6
105.03290	0.5
108.02106	0.5
111.00761	1.1
119.04903	4.2
121.02812	2.8
123.04391	9.7
129.03333	0.4
131.04959	0.4
133.02831	13.9
139.03867	1.0
143.48367	0.3
147.04407	16.4
148.01558	1.4
148.04735	0.4
149.02327	55.5
150.02718	1.8
151.03896	12.3
152.04237	0.4
157.02826	3.0
161.02351	0.4
163.03912	2.1
165.28439	0.3
170.85072	0.3
175.03922	11.3
176.04221	0.5
177.01851	3.9
191.03418	22.9
191.10464	0.4
192.03748	0.8
198.00926	0.5
201.01883	1.0
203.08202	0.8
205.07114	0.4
217.01421	0.4
218.08188	0.5
218.93747	0.8
219.02943	100.0
219.13885	1.4
220.03300	4.6
245.00900	0.9
263.01968	21.9
263.12866	1.2
264.02292	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1288
Annotation	Merulanic acid
Peak:m/z	Relative Intensity
50.56088	1.2
57.03312	3.4
59.01237	9.0
61.76993	1.3
69.03312	16.9
69.40682	1.3
71.01249	2.0
73.02780	1.6
81.03335	1.6
83.04900	2.1
83.69640	1.3
85.02802	4.8
93.03325	3.8
95.04866	1.8
97.02814	3.3
97.06458	2.5
99.08011	9.8
101.05948	1.7
105.06925	2.1
106.04089	3.2
107.04874	5.0
108.02032	3.7
111.04395	1.4
111.08022	2.0
113.02325	1.7
115.05415	2.1
119.04881	4.4
121.02812	5.7
123.04380	8.7
123.08022	8.0
125.09555	9.0
127.07485	4.6
132.05754	1.6
133.06464	7.9
134.03629	4.2
135.08003	3.3
136.05164	3.1
137.09598	5.3
139.07520	10.0
143.04875	8.2
149.05965	1.9
151.07510	3.3
153.09200	1.7
155.07114	2.4
161.05981	6.1
162.03133	2.2
162.06796	1.7
163.07539	1.9
165.09129	7.5
174.06682	1.6
175.11188	3.7
179.07149	2.3
187.11218	2.0
188.04698	1.9
189.12749	3.7
191.10669	4.2
191.14342	6.2
199.11073	2.3
201.12744	6.9
203.10757	6.3
205.12344	2.4
206.05623	1.6
215.10789	4.9
215.55998	1.6
217.12282	14.2
219.10555	9.4
219.13890	43.1
220.14204	3.3
221.11810	2.3
227.10727	11.7
230.09383	3.1
233.11818	13.0
235.13469	2.6
245.11797	31.9
246.12268	1.8
256.63055	1.6
263.12903	100.0
264.13242	6.0
270.47647	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	263.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93270	0.7
56.88924	0.5
57.03316	20.5
65.03804	1.5
67.80256	0.6
69.03313	10.9
71.04867	1.4
79.05383	3.2
81.03331	3.8
83.04875	4.4
85.06455	1.9
93.03297	2.0
93.06968	1.0
95.04887	4.8
97.06441	1.7
99.05328	0.9
99.08013	68.2
100.08334	1.9
101.05939	2.2
105.06977	0.7
106.04094	1.8
107.04886	21.0
107.08517	1.2
108.05220	0.7
109.06431	3.1
111.08042	2.4
113.09569	2.9
117.06964	1.4
119.04901	12.5
120.05662	2.1
121.02783	0.8
121.35686	0.6
123.08033	1.4
125.05767	1.0
125.09589	58.6
126.09904	1.8
127.07489	2.1
133.06461	21.3
134.06799	1.0
135.07030	1.4
135.08038	25.3
136.08394	1.0
136.25827	0.7
137.09607	3.5
139.07390	0.7
144.05690	3.8
147.04376	1.3
149.09631	8.1
160.05188	1.8
161.05983	1.5
161.09673	1.4
162.06764	8.3
163.07454	0.9
163.11215	1.9
173.37099	0.8
175.11163	1.2
177.12697	1.6
182.51549	0.6
186.10374	1.1
189.12747	1.1
191.10704	7.3
191.12683	1.1
191.14325	13.3
191.15933	1.1
192.14690	0.9
201.12769	11.4
201.48079	0.7
203.10710	9.4
204.11465	1.9
217.12280	8.8
219.13858	100.0
220.14207	6.5
223.65413	0.7
237.68758	0.9
255.19608	0.7
263.09741	0.9
263.12857	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	263.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92431	0.7
52.42549	0.7
57.03300	3.6
57.03588	0.7
58.96303	0.8
59.75064	0.9
63.47004	1.0
64.25206	0.8
64.97621	0.8
65.03820	1.8
65.95131	0.7
67.00468	0.7
69.03298	3.2
69.52489	0.8
71.01229	1.5
71.15360	0.7
72.99171	0.9
79.05371	1.5
81.03308	1.1
83.04887	1.6
91.05398	1.1
93.03312	7.4
95.04877	1.3
97.06454	4.5
99.08012	13.9
101.05920	1.3
105.06948	3.6
106.04091	1.5
107.04871	5.3
109.28362	0.9
111.07994	1.4
112.87550	0.9
113.80459	0.9
115.05400	4.5
117.03307	1.1
117.06992	1.3
119.04900	7.0
121.02823	4.4
121.06442	3.0
122.03575	1.2
123.08042	5.4
125.09570	3.6
127.07470	1.4
130.04097	1.2
131.04903	3.3
132.05699	7.9
133.02818	0.9
133.06479	26.2
135.04381	1.4
135.08022	5.6
136.05136	1.0
142.99605	0.9
143.04912	35.1
144.05621	2.5
145.02864	4.5
145.06435	2.7
146.03613	2.8
147.08040	1.3
149.05966	1.6
149.09624	2.2
156.05716	2.4
157.06422	1.4
158.03714	1.1
158.07196	1.1
159.04410	7.0
160.05273	5.9
161.05980	19.0
162.06740	1.7
165.09123	1.0
170.03517	1.3
171.04375	2.5
172.05080	1.7
173.05937	1.8
174.06749	3.4
175.11221	5.6
183.04456	1.0
184.05222	5.6
187.03871	2.0
187.11186	9.9
188.04726	2.6
188.11923	1.4
189.12802	2.1
191.07047	1.7
191.10712	1.2
191.14323	2.3
199.11246	5.7
201.12790	6.0
202.06245	1.5
202.09868	2.4
203.10710	21.8
204.11101	1.0
205.12230	5.5
212.08446	1.2
215.10732	18.3
216.11166	1.6
217.12306	27.6
218.12642	1.7
219.13910	13.2
221.11894	2.4
227.10738	54.8
228.11162	2.1
230.09465	18.3
231.10106	1.2
233.11809	53.6
234.12122	2.2
243.10262	5.3
245.11816	100.0
246.12161	5.4
263.12891	61.0
264.13187	4.7
271.09766	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1289
Annotation	CHEBI:69731
Peak:m/z	Relative Intensity
51.40389	1.9
51.40605	0.7
57.03307	1.8
59.01231	3.0
63.22702	0.5
64.62202	0.5
66.88351	0.6
67.01756	0.7
69.03307	4.0
70.20622	0.5
75.71187	0.6
81.03312	5.7
83.04877	1.6
84.44210	0.5
85.02808	0.9
85.06429	0.7
85.26630	0.5
85.74157	0.6
89.02307	0.6
93.03342	1.1
94.24193	0.6
97.02810	9.5
97.06480	1.1
99.08010	5.4
101.05965	0.9
103.05229	0.5
106.04077	0.8
107.04890	3.3
108.02007	1.1
109.02814	0.9
109.06458	0.9
111.08002	1.1
113.02301	1.2
119.04868	1.8
120.05634	0.6
120.30853	0.5
121.02821	4.4
121.06461	1.8
121.10183	0.6
122.03590	2.4
122.89220	0.7
123.04393	4.8
123.08017	7.6
125.09595	3.3
127.07521	7.9
133.06483	1.5
134.03630	2.2
135.08038	3.9
137.05978	1.5
137.09604	19.5
139.07518	6.8
143.04915	0.7
149.05884	1.2
151.07524	0.8
153.09088	2.5
155.07043	3.7
159.04359	0.8
161.05939	0.8
162.03116	0.9
163.07555	0.8
163.11182	0.8
165.09108	100.0
165.14592	1.5
166.09445	3.7
175.11145	1.3
175.14850	3.7
177.05534	0.9
181.08659	1.3
191.10664	1.7
191.14322	2.3
201.11101	0.6
201.12714	2.7
202.98726	0.7
203.10690	0.9
205.12180	0.6
217.12297	2.0
219.10275	4.2
219.13857	41.6
220.14203	2.5
221.11700	0.8
227.10713	1.5
230.09438	1.0
233.11821	1.2
235.04559	0.6
245.11807	9.5
263.12888	81.3
264.13239	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	263.1652
Annotation	Pallescensolide
Peak:m/z	Relative Intensity
50.30188	0.4
56.33016	0.3
59.01225	0.8
59.91473	1.0
59.91781	0.7
75.16622	0.3
82.00411	0.3
89.02269	0.5
92.02543	2.3
95.01226	0.4
106.04103	13.2
107.04891	1.2
108.02013	0.9
119.04871	1.8
121.02818	12.0
133.06528	0.4
137.02310	0.8
176.52113	0.4
185.35500	0.7
219.17493	100.0
219.26602	0.8
220.17833	6.5
243.61247	0.3
263.16525	51.8
263.20047	4.9
264.16785	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	263.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32870	0.3
51.41370	0.5
55.71315	0.2
59.00007	0.4
59.01243	22.8
59.90985	0.2
59.91514	0.3
61.02799	0.2
61.59483	0.2
62.07102	0.2
69.03326	0.2
77.16026	0.3
80.02531	0.5
87.16468	0.2
93.03312	0.4
95.04882	0.9
97.06441	0.5
104.11823	0.2
106.04115	2.1
107.04906	0.6
109.81878	0.2
119.04903	1.1
120.05681	0.7
121.02836	1.2
123.08068	0.4
135.08055	0.6
137.61395	0.2
139.35529	0.3
147.08035	0.8
148.08813	3.2
149.06125	0.3
149.09595	1.5
150.10381	0.3
151.11143	2.5
152.58372	0.3
161.09647	0.4
163.11191	6.1
165.07071	0.5
165.12749	34.7
166.13121	1.0
175.11198	0.3
177.12830	0.3
189.12752	3.5
190.13068	0.3
191.14340	14.5
192.14703	0.5
201.16466	0.4
203.14407	0.4
204.77957	0.2
212.91507	0.3
217.12274	0.4
217.15910	0.7
219.13892	17.6
219.17447	13.7
220.14227	0.8
220.17871	0.5
225.85701	0.3
227.14395	0.8
235.13322	0.3
245.15485	4.8
263.04834	0.9
263.12988	11.4
263.16525	100.0
264.13617	0.6
264.16898	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	263.1652
Annotation	Pallescensolide
Peak:m/z	Relative Intensity
55.01745	1.4
59.01244	28.6
62.96236	1.0
67.13251	1.1
71.03355	1.2
71.04876	60.4
71.49763	1.2
83.04869	2.1
83.51574	1.2
88.03944	1.2
89.02287	10.7
89.99102	1.1
93.03330	1.1
97.06448	23.5
101.02306	3.5
107.04887	1.6
109.06417	1.1
111.08009	1.8
121.02823	2.6
123.08000	6.0
125.89291	1.3
128.03374	1.6
135.11655	5.3
147.11598	2.7
165.12740	5.7
172.89017	1.4
179.10767	1.5
189.12582	1.4
191.10716	6.6
191.14378	4.8
207.13817	2.6
219.13902	24.7
219.17453	12.2
220.14275	1.7
245.15292	2.7
263.13037	16.8
263.16544	100.0
264.16931	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	263.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92876	0.3
53.09960	0.3
57.03306	2.0
59.01240	10.1
59.91479	0.5
67.01733	1.3
69.03311	0.5
71.01218	0.6
81.03319	0.5
83.04878	2.5
89.02287	1.9
93.03310	1.3
95.04868	4.3
97.06438	0.4
106.04121	0.9
107.08524	1.0
111.08019	34.7
112.08333	0.7
113.09597	0.6
119.04900	0.7
121.02847	0.7
121.06501	0.5
123.08032	1.0
125.09589	0.5
127.39274	0.4
133.30711	0.4
135.08133	0.6
137.09610	7.7
147.08064	0.8
149.09605	12.0
150.10034	0.5
151.07549	0.5
151.11159	0.9
157.24603	0.4
161.09598	1.3
163.11195	0.6
165.12714	0.9
167.10669	5.0
168.78424	0.4
189.12892	0.5
191.14290	1.3
203.04968	0.4
219.10260	0.5
219.14047	5.2
219.17497	16.8
220.13994	0.4
220.17830	1.4
245.15549	2.2
263.13260	3.4
263.16531	100.0
264.16913	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	263.2017
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01238	4.7
59.91525	0.4
59.91885	1.5
59.92431	0.5
67.71439	0.4
73.66732	0.3
89.02302	1.4
92.02529	2.1
101.02314	0.6
106.03404	0.5
106.04107	8.4
107.04882	1.4
108.02023	1.1
119.04871	2.1
121.02815	11.2
133.06456	0.4
137.02304	0.8
164.22197	0.5
203.56747	0.4
219.17497	90.5
220.17848	5.0
245.18947	0.4
263.16553	45.7
263.20163	100.0
264.16891	2.5
264.20499	5.9
271.49768	0.4
276.79218	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.1
65.09441	0.3
74.02335	0.5
82.02843	0.5
84.04402	0.6
85.02792	0.5
86.78304	0.3
90.98447	0.7
91.05383	3.3
100.03904	0.4
101.02357	0.5
102.02980	0.7
102.05466	58.6
102.08295	0.6
103.05805	1.3
103.84863	0.3
115.05737	0.3
128.03407	53.3
129.03734	1.0
130.06511	0.7
135.04408	2.8
146.00235	1.0
146.04475	100.0
146.09380	1.1
147.04793	2.2
148.07532	0.9
176.07150	1.2
204.06627	1.7
214.39757	0.3
220.09755	1.5
222.51027	0.3
246.07658	1.8
251.34743	0.3
264.08777	20.3
265.09174	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	7.1
61.76369	0.6
67.38229	0.6
68.10207	0.6
69.57159	0.8
71.01223	0.9
72.80302	0.6
77.12156	0.6
85.02779	0.9
93.03288	1.1
96.95879	0.7
106.04118	1.7
109.02839	1.6
111.00758	0.9
121.02836	2.4
130.04137	1.1
133.02834	7.3
134.03615	100.0
135.03935	4.1
137.02330	13.2
139.03885	4.7
149.02344	1.7
149.05965	20.8
150.03174	1.4
150.06302	0.8
153.01749	0.9
159.08084	1.1
161.02335	1.3
162.03117	10.2
165.01830	2.0
176.01018	1.2
177.01807	1.0
177.05431	3.9
177.09233	1.0
178.02628	53.9
179.02940	2.1
191.03406	1.6
193.04994	73.9
194.05307	3.7
201.79018	0.8
206.02138	20.2
221.01146	0.8
221.04527	20.7
221.07941	1.1
247.02519	0.9
265.03543	7.4
265.07532	0.8
266.04321	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0717
Annotation	Dihydrocitrinone
Peak:m/z	Relative Intensity
53.34230	1.1
59.01242	8.4
68.66064	0.6
69.03310	0.6
71.01258	1.1
74.06176	0.6
85.02800	1.0
91.72913	2.1
99.07996	1.0
109.02841	1.2
121.02814	1.3
134.03654	1.1
134.04594	7.6
147.04398	2.3
148.05270	0.9
149.06032	0.9
161.05966	19.2
162.06757	88.7
163.07100	3.9
165.05481	11.8
165.64644	0.6
167.07034	6.7
172.47972	0.8
176.18761	0.7
177.05478	0.9
177.09109	22.7
177.12672	1.3
205.07050	1.1
206.05780	62.8
207.06143	2.6
219.13777	4.1
221.08142	100.0
221.11725	3.3
222.08540	6.4
265.07159	25.8
265.10107	0.7
265.11523	1.3
265.14465	7.6
266.07581	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	265.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34230	1.1
59.01242	8.4
68.66064	0.6
69.03310	0.6
71.01258	1.1
74.06176	0.6
85.02800	1.0
91.72913	2.1
99.07996	1.0
109.02841	1.2
121.02814	1.3
134.03654	1.1
134.04594	7.6
147.04398	2.3
148.05270	0.9
149.06032	0.9
161.05966	19.2
162.06757	88.7
163.07100	3.9
165.05481	11.8
165.64644	0.6
167.07034	6.7
172.47972	0.8
176.18761	0.7
177.05478	0.9
177.09109	22.7
177.12672	1.3
205.07050	1.1
206.05780	62.8
207.06143	2.6
219.13777	4.1
221.08142	100.0
221.11725	3.3
222.08540	6.4
265.07159	25.8
265.10107	0.7
265.11523	1.3
265.14465	7.6
266.07581	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	265.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61249	0.9
55.63600	0.8
59.01242	7.2
60.27914	0.7
71.01247	1.5
87.00734	11.2
93.03310	2.8
99.08024	4.7
109.02805	2.7
120.99520	55.6
121.02766	1.4
133.02802	1.5
133.06673	1.0
135.04356	1.5
143.07033	12.5
153.01779	2.0
154.26636	1.0
159.04701	2.5
177.01781	3.0
177.05815	74.6
178.06134	4.0
193.01271	2.7
205.07076	1.1
221.00870	1.5
265.07507	100.0
266.07755	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	265.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55014	0.4
56.64251	0.4
57.03308	1.7
58.00452	0.5
58.99952	0.6
59.01242	39.6
59.02374	0.8
60.10893	0.5
70.44680	0.5
71.01240	16.4
72.99154	0.8
73.02803	0.9
75.28108	0.6
83.01224	1.7
85.02804	21.0
85.04809	0.5
87.00744	1.4
88.58557	0.6
89.02296	21.8
89.02845	1.2
90.83540	0.6
95.01219	0.8
99.04343	0.7
101.02302	14.2
103.03871	32.3
113.02306	7.2
119.03367	9.5
143.03374	0.9
145.04950	1.4
161.04430	0.9
173.52963	0.6
211.52777	1.0
264.75699	0.6
265.09299	100.0
266.09601	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	265.1081
Annotation	Lachnumlactone A
Peak:m/z	Relative Intensity
59.01243	6.7
59.22511	0.4
60.40348	2.0
60.40679	1.0
71.01218	0.5
75.31310	0.5
82.62605	0.5
83.04861	0.5
85.02816	0.5
88.40180	0.5
92.02502	0.6
93.03324	0.8
106.04121	2.4
107.04887	1.0
109.02819	0.6
119.04903	1.2
121.02842	3.1
134.04604	4.0
147.08034	3.5
159.84644	0.5
161.09595	1.7
171.04448	0.5
175.11168	1.6
177.12784	8.4
191.37585	0.5
203.10707	12.4
203.71680	0.5
221.11792	100.0
222.12140	5.6
247.12860	0.6
265.10837	98.0
266.11203	5.0
273.28604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1083
Annotation	Lachnumlactone A
Peak:m/z	Relative Intensity
50.81106	0.5
57.18316	0.5
59.01237	6.0
60.40385	0.7
61.37194	0.6
70.99629	1.0
71.01237	52.5
71.02657	0.8
72.01542	0.8
75.00725	0.6
85.02808	0.7
87.00696	1.0
92.42272	0.6
93.03336	1.7
95.01237	17.7
99.08012	3.3
101.05923	1.1
107.04859	1.8
108.02033	0.7
109.02804	1.3
119.04942	0.8
120.05634	1.0
121.02787	1.8
123.08044	1.9
125.09577	7.6
127.07520	2.0
134.03699	0.7
134.04672	0.8
135.04364	2.9
136.05173	3.3
149.09608	22.4
150.09988	1.2
162.06750	1.3
163.03836	1.1
163.11147	0.9
164.04688	7.8
165.09070	0.9
165.12717	1.1
175.11185	3.3
177.01866	0.8
177.09108	3.0
177.12749	10.2
179.10628	1.2
180.07832	6.8
193.12277	7.0
203.10674	2.5
205.07025	1.3
209.05922	0.8
221.11787	26.7
222.12056	1.3
237.05389	1.3
237.11308	0.8
265.04852	2.2
265.10815	100.0
266.11151	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	265.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56678	0.3
54.15660	0.3
55.03516	0.6
55.03750	0.3
59.00971	0.4
59.01243	4.8
60.03095	0.2
60.12407	0.5
60.41277	1.2
60.41584	0.7
60.70506	0.4
62.37035	0.3
65.95498	0.4
66.62105	0.4
66.95589	0.3
71.01234	0.4
73.05865	0.3
85.02778	0.5
89.02294	0.3
92.02530	1.0
93.03318	0.4
93.87584	0.3
96.95831	0.4
97.06436	0.3
101.02268	0.5
106.04103	5.1
107.04890	0.8
108.02025	0.7
109.02850	0.5
112.98397	0.4
119.04919	1.7
121.02817	5.4
134.04616	3.7
137.02316	0.4
137.88127	0.3
159.36760	0.5
191.14322	6.2
192.14742	0.4
203.14322	3.5
217.12358	0.6
219.13861	54.5
220.14186	2.8
221.15427	100.0
221.24251	1.0
222.15758	5.4
235.13466	0.5
263.69751	0.3
265.14456	97.1
266.14774	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	265.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04689	0.2
57.03317	5.0
59.01246	0.8
64.74953	0.3
65.03824	1.6
69.03298	0.9
71.01231	0.3
71.04878	2.5
78.15826	0.3
79.05408	0.6
80.02537	0.5
80.36475	0.3
81.03306	0.6
83.04884	5.5
91.05393	8.1
93.03324	1.2
93.06948	0.9
97.06452	4.1
99.08016	23.3
100.08389	0.4
101.05958	0.4
105.06951	0.4
107.08529	1.1
109.02835	0.3
109.06457	0.7
111.08060	0.5
117.06982	4.3
119.04974	1.4
119.08535	100.0
119.11627	1.0
120.08868	2.7
121.06460	0.8
123.08014	1.0
124.25426	0.3
125.09577	1.3
127.07490	0.5
131.04968	0.3
133.06465	0.9
135.08012	0.9
137.09627	1.7
145.06458	1.3
146.07208	0.5
147.04483	0.3
149.09621	6.9
159.08075	0.5
160.08815	0.7
162.10374	0.7
175.11223	2.6
185.13260	1.2
188.11963	1.1
189.12733	0.4
191.14349	8.3
192.11488	16.7
193.11867	0.6
201.12793	9.4
202.13075	0.3
203.06471	0.8
203.14352	83.3
204.14705	4.4
219.13939	0.4
221.06108	0.3
221.15431	22.4
222.15752	1.5
247.13379	1.0
265.14465	31.4
266.14871	1.7
266.17239	0.4
270.08661	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34951	1.0
51.10127	0.8
53.76572	0.8
56.19364	0.8
57.03308	7.1
59.01241	11.3
59.92416	1.0
68.54572	0.8
69.03296	1.3
70.22520	0.8
71.01242	1.4
71.04881	2.9
81.03314	2.2
83.04871	6.3
85.02786	1.4
85.55487	1.0
91.73338	1.5
93.03301	1.7
95.04890	8.0
95.73253	0.9
96.95882	1.2
97.06437	8.4
99.08018	27.8
100.08393	0.9
101.05926	1.5
107.04904	3.8
109.02824	1.1
109.06464	12.8
111.04343	1.8
112.98459	3.3
113.09614	2.1
119.08524	1.4
121.02856	1.3
121.06451	2.8
123.04341	2.0
125.09584	3.2
134.04626	1.3
135.08023	7.7
137.09608	9.4
151.11259	1.2
161.09660	1.2
163.03833	1.1
163.07556	2.6
164.08340	14.0
165.09045	2.6
177.12648	1.2
179.06981	1.5
179.14325	36.6
180.05792	2.1
181.06445	1.8
193.15956	3.6
203.14346	32.0
204.14716	1.7
205.07184	2.4
208.05284	6.7
209.05974	1.5
220.03542	1.1
221.15431	100.0
222.15761	5.9
224.66449	1.1
235.13231	1.3
236.04773	3.0
237.05542	66.5
238.05859	3.0
247.13306	2.1
260.90518	1.1
265.05072	44.1
265.14474	26.5
266.05426	2.3
267.53790	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86105	0.2
52.12319	0.3
52.96483	0.4
55.01744	0.3
55.87264	0.3
56.33706	0.2
57.03311	2.0
59.01005	0.3
59.01245	3.3
60.41309	0.3
63.16579	0.3
71.01241	0.4
71.04869	1.2
81.03320	1.9
83.04877	3.2
93.03297	1.0
93.06902	0.3
95.04885	3.6
96.95898	0.4
97.06439	2.6
99.07375	0.4
99.08015	8.4
101.05875	0.3
102.83221	0.3
107.04874	2.5
109.06454	10.4
111.08015	1.5
112.98422	0.6
113.09587	0.7
119.04865	0.6
119.08611	0.3
121.02893	0.4
121.06469	1.6
123.08030	1.5
123.81122	0.3
125.09578	0.5
134.04614	0.5
134.57700	0.3
135.08037	5.7
137.02333	0.3
137.09593	11.3
138.09908	0.4
146.07220	1.7
151.11183	1.9
152.44250	0.3
162.06714	0.3
163.07524	0.7
164.08325	23.4
165.05540	0.3
165.08696	1.2
165.12778	0.6
177.12769	0.4
179.07051	0.3
179.14322	19.5
180.14667	0.7
182.98700	0.3
191.14288	0.3
193.15929	1.3
201.12831	0.5
203.14342	15.7
204.14755	0.5
205.07108	0.4
219.13774	0.4
220.03665	0.4
221.06381	1.0
221.15422	100.0
222.15768	4.2
265.14453	14.1
266.14703	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1445
Annotation	Hebelophyllene C
Peak:m/z	Relative Intensity
50.24455	0.3
50.93692	0.4
51.61824	0.3
57.03302	1.0
57.76335	0.3
59.01244	3.3
60.99155	0.9
66.57657	0.3
68.22807	0.3
69.03301	0.6
71.04879	0.3
76.40973	0.3
81.82628	0.3
83.04876	0.6
85.06410	0.4
93.03249	0.6
95.04872	2.0
96.95880	0.7
97.06422	0.6
97.42493	0.3
99.08014	1.2
101.05931	1.2
109.02740	0.4
109.06487	0.5
112.98421	0.6
119.08530	0.9
121.06454	0.9
123.04385	0.5
123.08015	5.4
135.08066	0.9
137.09598	3.0
149.09608	3.0
163.07568	1.0
164.08240	0.3
165.09099	0.4
177.12770	0.9
203.14351	5.6
205.07120	0.7
219.13902	2.9
221.15422	2.0
234.72537	0.4
247.13365	2.0
265.14456	100.0
266.14789	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	265.1808
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
53.07114	0.9
56.45681	1.1
57.03295	1.2
58.36892	1.0
59.00970	1.7
59.01241	22.7
69.34985	1.1
69.71606	0.9
71.01223	2.0
71.04881	5.5
73.19057	0.9
75.79762	1.0
78.95768	16.5
83.04861	2.5
88.53816	0.9
93.03297	4.5
107.04861	1.1
109.02869	1.1
112.98438	1.9
119.04894	1.1
129.05402	2.8
132.08006	1.3
134.04610	8.1
135.11661	3.0
149.13228	3.4
152.22716	1.3
161.65749	1.1
163.14822	4.8
181.12292	1.8
189.12791	2.3
193.12195	1.3
203.18008	12.7
207.13849	80.2
208.14211	4.5
229.15872	2.0
247.17015	66.3
248.17429	3.4
265.08856	2.6
265.15768	3.9
265.18103	100.0
266.18524	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	265.1809
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
51.93107	1.0
51.93327	0.4
57.03312	0.5
57.42724	0.3
59.01244	4.3
67.14339	0.3
68.53018	0.3
69.03317	2.2
71.01228	0.4
82.20388	0.3
83.04858	0.8
87.56070	0.5
88.21856	0.3
93.89373	0.3
95.04926	0.4
97.06419	0.7
111.08002	0.8
127.07474	0.6
134.04578	0.5
149.09610	1.5
149.13246	0.6
151.11185	1.7
155.07034	2.1
159.08066	0.4
167.10675	37.6
168.11095	1.7
175.14777	0.5
177.09135	1.1
195.10190	9.0
203.17984	3.7
208.84784	0.3
218.51605	0.4
228.09973	2.7
229.15935	0.7
237.18462	0.8
247.17006	13.6
248.17201	0.8
265.07111	1.0
265.18097	100.0
266.18460	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	265.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16747	1.0
57.03309	2.1
59.01243	27.8
68.99429	1.2
71.01253	2.0
71.04883	9.1
83.04891	2.0
85.02774	1.7
87.04379	1.3
90.72971	1.1
96.95860	6.3
97.06416	2.0
97.68011	1.2
103.03844	1.2
103.57205	1.2
106.47868	1.2
106.58280	1.3
112.75799	1.2
112.98401	4.3
134.04617	7.2
149.13272	3.1
163.14813	3.7
167.10664	1.9
181.12224	2.3
189.12694	2.7
193.12338	2.2
195.13820	3.7
203.18050	10.1
207.11809	2.6
207.13844	50.2
208.14197	2.2
221.19009	2.3
243.98738	1.5
247.17030	42.5
248.17433	3.0
265.06717	1.6
265.09161	2.0
265.14868	6.1
265.18088	100.0
266.18503	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	265.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84192	1.1
57.03299	6.6
59.00985	2.4
59.01244	36.6
62.85101	1.1
68.99393	1.8
71.01220	4.2
74.17555	1.3
78.29185	1.4
80.99601	1.6
85.02764	1.9
85.06423	1.5
91.72684	2.3
93.03288	1.8
95.04817	2.0
96.95871	20.6
97.06429	6.7
101.02296	2.5
103.03786	1.7
109.02769	1.7
112.98409	5.9
113.08856	2.7
113.09592	37.6
121.10104	2.9
127.07489	2.0
132.71851	1.7
134.04596	18.4
139.11156	13.7
143.07013	7.2
144.79803	1.7
149.09625	2.5
155.07045	3.3
160.50327	1.5
161.05856	1.4
163.11143	3.1
167.10690	4.7
169.23582	1.5
203.17987	2.0
205.07095	4.3
211.78310	1.4
221.19002	10.0
222.19630	1.8
247.16960	8.2
265.07108	2.6
265.14792	17.6
265.18063	100.0
266.18362	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	267.064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28370	0.2
52.10363	0.1
59.01243	1.0
59.83101	0.1
61.65944	0.2
62.96268	0.2
65.00176	0.4
69.29774	0.1
71.01237	0.3
73.02802	3.0
74.02331	0.5
75.00723	0.2
78.93767	0.5
78.95758	39.2
78.97488	0.6
87.00732	2.3
88.03902	1.1
89.02319	0.2
91.73326	0.2
92.99694	0.3
93.03320	1.1
93.31749	0.2
95.01249	0.5
96.94112	1.1
96.96817	100.0
96.99171	1.2
99.00699	0.2
99.46834	0.2
105.03334	0.3
109.02798	0.3
111.00758	0.2
121.02808	0.7
123.00747	0.4
124.01482	0.3
128.29346	0.2
133.02763	0.3
134.04591	0.6
137.02293	0.4
139.03891	0.5
149.02315	0.6
161.04416	0.3
167.03368	0.4
177.01831	2.6
178.99739	0.3
179.05417	0.2
180.00523	2.4
180.06596	0.2
183.02921	0.2
193.01378	0.2
193.07117	0.2
198.92648	0.2
205.01311	0.3
208.00069	1.8
211.02368	0.4
223.02440	2.8
239.01956	1.2
267.01434	1.1
267.06662	0.9
267.09079	0.4
267.23352	0.3
268.08301	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	267.0664
Annotation	7-HYDROXY-2'-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
50.15682	0.2
50.29682	0.2
59.01241	0.7
59.54199	0.2
73.02809	0.9
80.21555	0.2
83.19667	0.2
87.00747	0.5
93.03320	1.1
97.02840	0.2
108.02046	0.3
109.02821	0.3
121.02841	0.4
132.04803	0.4
137.02222	0.3
152.01038	0.7
159.04449	1.3
161.13246	0.3
165.06992	1.2
179.14348	0.6
183.04445	0.7
183.08060	0.6
193.06487	2.2
196.05244	1.1
197.06017	1.3
204.05746	0.7
209.06047	1.3
210.06699	0.5
211.07545	3.2
213.05682	0.3
220.05243	1.4
221.05989	1.6
222.06873	1.2
223.13368	1.9
224.04791	0.6
237.05553	1.3
238.06354	2.4
239.07114	3.5
240.07359	0.2
248.04732	0.7
249.05446	1.4
250.06308	1.7
265.05109	3.3
266.05865	3.0
267.06635	100.0
268.06973	7.3
268.09592	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	267.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	4.5
60.04143	1.1
69.29407	1.0
71.01244	1.6
73.02810	9.3
87.00729	71.0
88.03893	3.5
92.94248	1.1
93.03323	4.9
96.95818	1.4
121.02807	2.3
121.06550	1.1
134.04575	2.9
145.02811	2.7
146.03616	63.7
147.04201	2.5
150.05560	1.5
160.05170	1.6
161.05966	21.9
163.03925	1.6
164.04688	42.3
165.04938	1.4
166.63104	1.2
172.05124	1.4
175.07539	2.6
177.01938	2.8
179.07043	100.0
180.07390	3.8
190.06245	2.2
193.08640	1.9
205.08673	2.7
208.07423	1.8
223.09718	3.6
267.04941	1.1
267.05817	1.3
267.08685	11.7
267.12408	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	267.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00646	0.7
59.01231	1.9
59.36851	0.6
71.61567	0.8
73.02793	1.5
76.30466	0.6
81.27494	0.8
82.00132	0.6
85.91451	0.6
87.00732	69.1
87.02989	0.8
88.01064	0.7
93.03355	1.2
96.95866	1.3
109.02822	2.6
119.04908	1.0
121.02852	1.0
123.04356	1.0
133.02867	1.0
134.03590	1.9
135.04393	24.0
145.02821	2.6
145.99280	1.0
146.03622	70.1
147.04010	1.6
153.01791	1.7
161.05977	23.8
163.03868	2.4
164.04688	46.8
171.37155	1.0
179.03468	27.0
179.07043	100.0
180.07381	3.1
193.08611	1.0
204.04134	0.8
205.05055	1.0
261.38693	0.9
267.06830	0.9
267.08890	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	267.1027
Annotation	Clusiparalicoline C
Peak:m/z	Relative Intensity
50.15052	0.4
59.01213	0.5
59.47011	0.4
65.03825	0.6
66.69268	0.4
70.26335	0.6
73.02800	1.1
73.47751	0.4
75.56581	0.5
82.10648	0.4
87.00743	1.4
91.05404	0.8
93.01035	0.5
93.03314	29.2
94.03664	0.8
95.04881	0.8
100.76845	0.5
101.42039	0.5
103.05421	0.8
105.03327	1.0
107.04928	0.6
108.02031	2.1
109.02811	12.5
119.04894	89.6
119.08545	1.1
120.05236	2.6
120.74362	0.5
121.02743	0.6
130.04114	0.9
131.04929	0.6
134.03604	1.9
135.00381	1.1
135.04393	78.1
136.04723	2.6
143.04887	2.5
145.02730	0.5
145.06476	7.3
146.03578	0.9
147.04407	13.7
148.05112	0.6
157.06534	0.8
159.04408	15.1
161.04716	1.0
161.05969	9.9
172.05190	0.6
173.06035	4.3
174.06645	0.8
178.25522	0.6
248.08401	0.5
249.08981	0.6
266.09439	1.6
267.10278	100.0
268.10626	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	267.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11117	0.6
52.92110	0.6
59.01240	3.2
63.40867	0.6
65.89090	0.7
70.35651	0.7
71.54382	0.7
73.02805	2.3
87.00737	1.9
88.03917	1.1
99.08020	3.2
121.06474	3.8
126.41142	0.9
161.13216	5.1
174.24358	0.9
179.14336	100.0
180.14671	2.7
185.25722	1.2
205.12299	1.2
223.13364	19.4
259.09003	1.1
267.12460	7.0
267.15936	2.0
267.23401	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1239
Annotation	G3
Peak:m/z	Relative Intensity
50.08676	0.9
51.38528	1.1
54.11432	0.5
57.97823	0.5
59.01237	2.6
71.01231	0.6
73.02807	4.4
83.04856	0.6
87.00729	1.9
88.03900	1.3
89.02301	0.6
93.03323	2.5
106.04111	2.6
107.04858	0.9
108.02054	3.7
109.02849	0.7
111.04360	1.0
119.01485	0.9
119.04890	56.6
120.05237	1.9
121.02821	3.5
122.03598	1.1
133.06468	13.4
134.04581	1.3
134.06810	0.9
135.04948	1.6
139.68716	0.6
147.07985	0.8
150.03117	13.5
152.00960	3.5
153.01779	3.1
161.09583	2.3
161.13184	1.3
162.98404	1.5
163.03905	100.0
164.04247	3.6
165.01826	1.2
175.11221	2.5
177.05481	20.5
177.12683	2.9
179.14319	2.1
182.02097	8.5
191.07097	2.2
193.12202	1.0
196.03714	1.7
203.10713	1.5
205.08905	3.0
205.12273	36.8
206.12593	2.1
211.48193	0.7
219.10211	2.5
219.53171	0.6
220.10959	5.2
221.11700	0.6
223.13312	3.8
233.11726	0.9
234.08904	0.7
235.09764	1.2
249.11324	13.2
252.10025	42.9
253.10330	2.0
255.55289	0.7
267.12396	59.3
267.22873	1.0
268.12759	3.4
282.11020	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99417	1.2
57.03318	28.7
59.01225	2.8
71.04868	3.7
73.02796	3.8
83.04877	18.4
83.40083	1.2
85.06438	1.5
93.03313	7.2
95.04884	3.4
96.95869	3.2
97.06443	6.6
99.08017	54.1
101.05937	4.5
109.06448	6.3
111.08033	4.2
113.09568	3.3
114.83843	1.4
121.02829	3.0
121.06472	3.4
123.08033	3.2
125.09574	2.9
135.04477	1.9
137.09599	20.6
139.11168	1.9
142.60085	1.4
149.09604	2.0
153.12743	59.6
161.13278	1.6
165.08968	1.7
165.12752	3.0
167.07042	2.1
179.10722	2.1
193.15968	1.7
203.14308	2.1
205.15923	43.5
206.16283	2.3
209.04549	1.7
221.15363	1.8
223.16994	100.0
224.17313	4.9
249.14903	4.5
267.02966	2.3
267.06561	6.1
267.16034	91.6
267.23236	3.2
268.06226	2.4
268.16385	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56869	0.5
57.03319	12.8
59.01229	1.5
60.92001	0.7
69.03298	0.6
71.01220	1.7
71.04877	5.4
73.02806	2.6
79.51051	0.5
81.03339	0.6
83.04881	9.0
83.49787	0.5
85.06435	1.2
85.69492	0.5
87.00696	0.9
93.03306	1.9
95.04870	2.3
96.95863	1.2
97.06446	8.2
99.08018	22.1
101.05939	2.2
109.06447	6.6
111.08012	4.7
113.09566	1.9
115.07530	0.8
121.02806	0.9
123.07992	1.5
125.09587	1.4
135.08044	1.3
137.04118	0.7
137.09598	19.2
138.09972	1.3
139.11157	2.2
141.05441	0.9
149.09618	3.5
151.11079	1.3
153.12743	23.5
154.13020	1.2
164.08328	0.8
165.09103	2.6
165.12749	0.8
167.10678	6.3
179.14267	1.1
181.12242	1.6
193.12291	1.3
203.14314	1.1
205.15923	20.3
205.23938	0.6
206.16295	1.3
221.15401	1.8
223.16995	100.0
224.17308	4.6
249.14934	2.1
267.03192	0.6
267.06390	1.4
267.12729	1.4
267.16031	45.2
267.23242	1.1
268.16489	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	267.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80523	0.6
57.03315	5.0
59.01236	2.7
60.91998	0.8
71.01239	2.3
71.04874	3.9
72.94818	0.7
73.02805	9.7
83.04865	5.2
85.02802	6.7
87.00738	1.8
93.03313	3.4
95.04845	2.2
97.06448	16.1
99.08017	4.6
101.05896	0.9
107.04891	2.1
109.06456	5.0
111.08012	5.1
121.02827	1.2
121.06458	1.1
123.08044	1.9
125.05964	2.9
137.09596	7.8
139.11153	1.5
143.07021	1.5
149.09601	2.3
153.12747	11.3
158.26530	0.9
165.09053	1.6
167.10675	8.7
179.14381	0.9
181.12314	1.9
185.11714	1.0
205.15929	15.1
209.04471	1.3
223.16991	100.0
224.17282	5.3
267.06509	1.5
267.16040	38.7
267.23254	2.7
268.16440	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1603
Annotation	Plucheinol
Peak:m/z	Relative Intensity
54.47429	0.4
56.52101	0.3
57.03313	7.5
59.01241	2.0
59.75703	0.3
62.22294	0.4
67.07957	0.4
69.03313	0.4
71.01234	0.7
71.04503	0.5
71.04881	5.5
73.02797	2.7
74.02329	0.4
82.38296	0.4
82.45953	0.4
83.04877	2.9
85.01766	0.4
85.06461	0.5
87.00277	0.4
87.00742	2.7
88.03876	1.2
93.03312	1.3
97.06483	0.5
99.08013	27.5
99.10625	0.5
100.08337	0.6
107.04861	0.6
111.08038	2.8
113.09582	13.2
114.09912	0.5
134.04579	1.1
134.34781	0.4
135.04982	0.6
137.09605	2.0
139.07524	0.9
149.09583	1.0
155.07045	1.8
157.08560	0.7
161.13240	1.3
165.09085	0.6
179.14319	3.4
187.14799	0.6
193.15871	0.6
205.15892	4.7
219.13824	0.6
223.13269	1.1
223.16928	1.1
249.14883	2.5
267.16031	100.0
268.16351	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	267.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25838	0.3
52.10533	0.9
53.77987	0.3
59.00971	0.8
59.01241	8.4
61.66993	0.3
62.13372	0.3
64.48806	0.7
69.03318	0.4
71.01228	0.9
73.02796	2.7
74.62962	0.4
83.04863	0.9
87.00721	1.3
88.03895	0.5
89.37307	0.4
93.03319	0.7
97.06431	0.5
99.08012	1.3
102.01654	0.4
109.39675	0.4
113.09583	1.4
134.04564	0.5
135.05016	0.7
149.09601	3.5
153.08969	0.5
161.13266	0.7
167.04628	0.5
167.10677	36.7
168.11035	1.4
177.16376	0.6
179.05478	0.5
179.14330	0.9
205.19519	1.1
210.04678	0.5
223.17346	0.5
223.20476	0.5
231.17566	1.7
249.18584	28.2
250.18912	1.5
267.19669	100.0
268.19995	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	267.233
Annotation	Unknow
Peak:m/z	Relative Intensity
72.14640	0.5
92.92654	0.7
98.95441	2.6
114.42545	0.5
123.59960	0.6
215.49467	0.5
245.28683	0.6
267.14362	1.8
267.23297	100.0
268.23685	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	267.233
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
66.68390	0.1
75.11856	0.2
82.80477	0.2
83.04870	0.2
92.92631	0.2
98.95417	0.4
110.99620	0.1
141.36212	0.1
149.80954	0.1
154.34499	0.1
175.03217	0.2
200.03003	0.2
208.48657	0.1
249.22314	0.2
265.63705	0.2
267.23294	100.0
267.34467	0.9
268.23657	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	269.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36339	0.0
57.20646	0.1
59.99392	0.1
93.71213	0.1
109.02834	0.1
113.03832	0.5
122.88612	0.1
125.03828	0.2
129.03319	0.1
141.03339	3.1
142.03723	0.1
145.02899	0.1
147.04353	0.2
153.03319	0.2
157.02820	0.1
159.04369	0.2
169.02847	9.5
170.03165	0.4
171.04466	0.3
181.02893	0.1
185.02328	0.8
187.03937	0.7
197.02367	11.7
198.02650	0.6
213.01872	1.9
213.03896	0.1
225.01909	1.4
231.02950	0.2
240.00627	0.1
241.01404	2.1
242.01631	0.1
252.00598	0.2
268.00192	0.6
269.00922	100.0
269.12167	0.9
270.01263	6.1
270.04245	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	269.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62082	0.6
54.05169	1.1
55.67175	0.4
56.89595	0.8
59.01247	2.1
63.02269	1.6
65.00192	1.4
65.03824	0.5
67.67534	0.5
69.03320	0.5
71.01218	0.4
75.00730	7.7
75.01115	0.5
75.02259	0.7
78.95780	1.6
79.01745	5.1
80.96211	0.7
81.03329	2.9
81.19047	0.4
87.00764	0.6
88.03901	1.3
89.02306	4.0
91.01779	1.5
91.73329	0.5
93.03324	1.8
95.01250	0.6
96.96832	4.0
98.97256	2.0
107.00668	0.5
107.01224	2.8
108.02080	0.9
109.02812	18.1
119.01278	1.6
121.02847	1.8
123.00748	0.9
123.04414	0.9
125.02309	1.8
135.00739	2.5
136.01529	4.1
137.02313	8.1
139.03897	1.3
147.00774	1.0
148.04066	0.5
151.00302	0.5
151.03886	0.6
152.01051	0.6
153.01810	4.7
163.00294	1.4
164.01018	3.3
165.01750	1.1
165.05515	0.5
167.03395	45.7
167.09502	0.5
168.03743	1.2
175.00226	1.1
177.05504	0.6
181.01340	24.9
181.04897	1.0
182.02069	1.9
192.00587	2.9
193.01357	9.1
194.02020	0.7
195.02916	100.0
196.03221	3.3
199.02391	16.5
203.03729	0.5
209.00859	6.7
213.03996	1.2
223.02422	14.3
223.99583	0.6
224.02742	0.6
225.05925	1.1
237.00392	22.1
238.00667	1.3
241.03510	42.8
242.03789	1.5
251.01990	1.9
269.03000	38.1
269.10275	1.5
269.21173	2.1
269.24796	0.7
270.03244	1.6
285.97000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0455
Annotation	Apigenin
Peak:m/z	Relative Intensity
53.38626	0.1
54.35155	0.1
56.80634	0.1
63.02257	1.5
63.48852	0.1
64.99837	0.2
65.00181	3.3
65.67289	0.1
75.00730	0.2
79.01758	0.2
81.03281	0.2
83.01231	1.7
89.02309	0.2
91.72681	0.1
93.03316	0.5
105.03326	1.0
107.01245	6.2
108.01567	0.2
108.99143	0.2
117.03322	25.5
117.06556	0.4
118.03656	0.6
121.02808	1.5
122.20228	0.2
127.08667	0.1
139.03847	0.2
141.03351	0.1
149.02324	8.8
150.02649	0.2
151.00253	11.0
152.00569	0.3
155.04930	0.2
157.06485	0.3
159.04420	2.2
160.53415	0.1
161.02267	0.2
169.01308	0.3
169.06441	0.5
171.04480	0.2
180.05745	0.4
181.06477	1.5
183.04431	1.5
185.02390	0.4
187.13121	0.1
196.05203	0.3
197.05951	0.7
199.04030	0.1
201.05490	2.0
213.05449	0.2
224.04692	0.4
225.05525	4.2
225.14867	0.5
226.02657	0.2
226.05864	0.2
227.03442	1.6
241.05034	0.4
269.04559	100.0
270.04913	5.8
270.07190	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	269.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26984	0.7
51.37557	1.3
52.36818	0.6
53.97893	0.8
54.01907	0.6
57.03281	0.9
57.09694	0.7
59.01233	3.4
69.39159	0.7
72.85379	0.8
75.00726	22.6
87.00735	8.2
89.02291	5.9
94.02814	1.0
94.35205	0.7
97.06469	0.8
107.04849	1.0
108.02030	6.3
108.73872	0.7
121.02800	2.4
122.03591	4.9
123.04373	3.6
124.01526	1.0
131.04877	2.1
135.04402	9.4
136.01567	2.8
136.05177	2.0
137.02234	1.2
137.05954	20.6
137.07007	1.2
138.79657	0.9
139.03828	1.0
145.60500	1.0
147.04376	5.7
148.05180	37.1
149.02292	4.0
149.05582	1.1
150.03137	2.6
151.03864	1.8
151.07506	1.1
152.01033	10.5
153.12744	1.1
157.06879	0.8
160.82816	0.9
161.05988	3.7
162.06752	93.1
163.07141	4.5
164.04666	5.3
165.05460	1.6
167.03438	2.5
177.09114	98.4
178.09454	5.1
179.07037	22.9
180.07834	32.1
181.04930	1.6
181.08170	1.8
192.04182	10.6
192.07840	29.3
193.08517	4.2
195.10190	9.7
201.24130	0.9
202.84839	0.9
207.06572	29.2
207.10165	19.3
208.07014	1.5
208.10561	1.1
209.04495	54.6
210.04819	2.5
210.08957	10.1
211.02423	22.6
221.08231	1.3
225.07817	5.2
225.11270	24.6
239.09241	4.3
251.05595	1.9
251.09242	2.2
269.03177	10.0
269.06671	100.0
269.10214	17.9
269.21234	5.1
270.03848	1.5
270.07016	6.6
270.10089	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0821
Annotation	Haginin B
Peak:m/z	Relative Intensity
59.37934	0.2
62.04739	0.2
65.59679	0.2
81.03322	0.6
91.01727	0.3
91.05370	1.0
93.03323	1.0
95.04906	0.3
101.03836	1.2
105.03311	0.3
108.02034	2.2
109.00025	0.8
109.02815	54.2
109.05977	0.5
110.03152	2.2
111.03264	0.5
111.24701	0.2
115.05399	0.4
117.03342	0.8
119.04075	0.4
119.04890	6.0
119.08480	0.2
121.02816	4.5
122.03674	1.6
123.04395	5.3
124.01542	0.2
125.02306	0.3
126.90916	0.2
128.05231	0.2
129.03337	7.5
130.04167	2.0
131.04907	1.5
133.02827	0.5
135.04410	1.7
145.02844	12.7
145.07631	0.2
146.03625	26.8
147.00020	1.0
147.04407	100.0
147.09441	1.0
148.04747	3.7
158.03639	2.5
159.04416	36.3
160.04716	1.5
161.02386	0.7
161.05989	1.3
163.11188	0.9
170.06105	0.2
180.05658	0.2
181.06522	0.5
183.04398	0.3
185.05971	0.5
197.06003	0.7
198.06836	0.4
199.07620	1.0
205.06537	0.3
209.06108	0.4
211.07729	0.4
212.04762	0.4
213.09039	0.5
222.06799	0.5
223.07642	1.1
225.05598	0.8
225.09094	0.3
226.06299	0.6
226.88020	0.2
227.07028	0.6
233.05962	0.4
237.05565	0.6
239.07137	0.5
241.05125	0.2
241.08673	0.5
250.06252	0.5
251.07124	3.6
252.07919	3.7
253.05058	0.6
253.07962	0.3
254.05824	1.7
267.06564	0.8
268.07385	2.0
269.08209	61.3
269.20966	0.8
270.08578	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	269.082
Annotation	2',5'-DIHYDROXY-4-METHOXYCHALCONE
Peak:m/z	Relative Intensity
50.82792	0.7
50.83382	0.7
54.77124	0.5
55.96770	0.5
59.01242	1.3
63.14769	0.8
70.64548	0.6
71.50138	0.6
75.00719	0.9
91.23518	0.6
91.73341	1.5
91.83656	0.6
93.03294	3.2
95.04910	0.8
101.03860	0.9
101.08862	0.6
104.98531	0.6
108.02029	2.9
109.02816	100.0
109.05955	1.3
110.03152	2.3
113.03881	0.9
115.05406	1.2
119.04901	4.6
121.02815	5.2
121.06528	0.7
123.04409	4.7
129.03343	5.8
130.04060	0.8
131.04893	2.3
133.02782	1.0
135.04402	3.8
141.03363	2.5
143.04951	1.1
144.71274	0.8
145.02858	1.5
146.03647	3.8
147.04411	37.9
148.04785	0.9
158.03641	4.4
159.04414	78.8
160.04721	3.3
161.05986	1.9
161.73499	0.7
166.75737	0.7
169.02847	5.3
185.02362	0.9
197.02400	5.6
213.01839	1.1
223.07651	1.6
225.05579	1.6
226.06274	0.9
231.56332	0.8
237.05524	2.4
241.01581	0.7
241.04967	1.2
251.07040	2.1
252.07956	4.3
253.05067	2.1
254.05861	3.1
267.06638	2.9
268.07401	2.4
269.00955	56.1
269.08203	75.9
269.14050	2.1
269.17691	1.6
269.21201	2.8
270.01190	3.6
270.08655	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42488	0.4
54.35117	0.3
56.81525	0.3
60.50805	0.3
60.99153	0.5
61.68509	0.3
72.93150	0.4
75.00719	1.4
75.03165	0.4
75.65102	0.2
77.62835	0.3
77.88821	0.3
78.95750	0.9
79.65360	0.3
81.90513	0.4
86.98656	1.7
87.00733	100.0
87.03104	1.1
88.01083	1.1
88.03882	0.5
89.02287	1.0
92.60087	0.4
93.03316	0.5
96.96816	2.2
98.96597	0.4
100.76459	0.3
103.31797	0.3
105.06357	0.4
109.06460	0.4
110.80996	0.4
121.02820	18.1
121.06517	0.8
123.04385	0.6
134.03651	0.5
135.04451	1.9
136.05217	1.2
146.25829	0.4
151.07556	1.0
163.11250	0.4
166.00774	1.0
166.06258	86.5
167.06612	2.9
180.07895	0.4
181.08621	52.9
182.08981	1.6
183.31137	0.4
195.10181	0.6
198.69797	0.4
205.08635	1.2
207.10214	0.6
239.09116	0.7
269.10333	19.6
269.21124	0.8
270.10706	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.7
61.27368	0.6
65.46911	0.8
67.61226	0.7
72.68318	0.8
75.00732	14.0
78.97494	0.7
87.00729	3.5
89.02301	4.4
107.04893	1.7
108.02041	3.2
122.03601	2.4
123.04363	1.9
129.79686	0.7
131.04921	0.9
132.04456	1.0
135.04395	33.2
137.05960	11.1
147.04388	21.0
148.05199	19.3
149.02345	2.8
149.05911	3.4
150.03090	1.9
151.03925	1.5
152.01044	5.3
160.43970	0.8
161.05984	8.9
161.11253	0.8
162.06760	92.3
162.12071	1.3
163.07130	4.9
164.04692	2.2
165.05530	1.4
167.03386	1.4
177.09120	85.5
178.09470	3.4
179.07042	14.7
180.07829	100.0
180.14110	1.3
181.04884	0.9
181.08232	2.9
191.07091	1.6
192.04231	5.9
192.07848	96.8
193.08580	13.8
194.94240	0.8
195.10201	32.2
207.06636	16.8
207.10205	55.0
208.07109	0.8
208.10548	2.3
209.04495	27.5
209.07982	1.6
210.04910	1.2
210.08917	29.4
211.02406	11.5
211.09302	1.4
212.02686	0.9
221.07954	2.0
225.07695	2.4
225.11281	68.3
226.11577	3.6
239.09245	11.1
251.05515	1.1
251.09314	7.1
252.04962	1.4
269.03183	5.4
269.06696	52.1
269.10297	27.2
269.21320	2.4
269.24649	1.0
270.07004	3.7
270.10541	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	269.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21818	0.2
51.56470	0.3
56.22591	0.2
56.45141	0.2
59.01238	0.5
71.01239	0.3
79.05395	0.2
89.02271	0.6
93.03316	1.1
96.16258	0.3
96.95861	0.9
103.30473	0.2
106.04118	1.4
107.04905	0.3
108.02061	0.4
109.02834	2.8
119.04874	0.6
119.08508	1.2
121.02819	13.3
122.03590	0.4
123.04429	0.3
124.05134	0.9
125.05902	0.3
125.09601	1.0
135.04388	0.5
135.11655	1.6
145.02814	0.4
145.10124	0.3
146.03601	0.6
147.04387	3.2
150.03061	0.4
151.11156	1.0
153.12711	0.3
157.26117	0.3
159.04361	0.9
163.05263	0.7
163.11182	100.0
163.16362	1.0
164.11507	4.0
167.03477	0.3
179.10681	1.2
181.12238	1.2
187.70503	0.3
195.10255	0.7
197.02515	0.3
197.11757	0.7
207.10201	1.9
212.85406	0.2
223.07648	0.3
225.11295	1.4
254.05669	0.4
269.00946	1.1
269.04581	1.8
269.08054	4.1
269.10364	10.6
269.21240	1.7
269.24704	0.3
270.08286	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.1
56.92349	1.1
57.03314	20.3
59.01239	2.3
62.22168	0.7
64.29716	0.9
65.03834	2.1
65.22713	0.9
69.03334	0.8
75.00748	3.4
81.03304	8.7
83.02965	1.4
83.04876	50.2
85.06436	1.0
87.52122	1.0
89.02307	3.9
91.05405	1.5
91.73087	2.6
95.04870	9.7
99.08009	61.7
101.05939	3.5
107.04884	3.3
109.06442	5.3
111.08013	7.9
121.06458	1.7
123.08041	6.0
125.09605	1.0
127.11636	0.9
135.08057	0.9
137.09587	1.3
138.06764	4.6
139.03902	2.7
139.07520	2.2
143.88542	0.8
149.09599	1.7
150.06763	1.4
150.79553	0.9
151.11145	1.1
156.08133	1.0
161.48183	1.2
164.08350	1.5
165.08936	1.0
167.03398	1.1
167.10686	1.4
167.14322	4.1
169.04935	2.0
175.11166	2.6
177.12759	37.0
178.13158	2.0
179.14360	3.8
189.12794	4.2
192.15091	1.2
193.12277	1.5
195.13829	100.0
196.14142	6.0
206.17554	1.0
207.13841	38.7
208.14168	1.7
212.84236	0.9
225.11514	1.2
225.14899	31.2
226.15274	2.2
239.12863	52.7
240.13290	3.3
251.12854	12.3
269.04718	2.0
269.13968	41.9
269.21310	3.9
270.14160	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	269.176
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
56.99109	0.5
57.03313	4.8
59.01228	2.9
61.42687	0.9
67.47580	0.6
71.04887	5.1
72.94706	0.6
73.02796	0.6
75.00735	3.6
80.83278	0.6
81.03308	0.7
83.04858	1.1
89.02296	5.0
93.03337	1.1
94.54263	0.6
97.06429	1.4
99.08015	15.7
107.01232	0.8
109.06441	2.3
111.08016	4.9
113.09587	13.6
117.03333	2.6
119.04896	3.6
122.03677	0.9
125.02276	1.0
137.09602	8.5
139.11156	2.4
143.04892	1.4
149.02370	0.7
149.09621	0.9
152.40338	0.7
155.06879	0.8
155.14281	0.9
165.12776	1.3
181.06529	1.1
185.05959	2.4
186.95590	1.3
205.15973	0.8
207.17535	4.2
209.06064	1.9
223.16927	5.1
225.05635	0.8
225.09280	0.8
225.18575	31.5
226.19028	1.0
227.07133	6.1
244.22070	0.8
251.16516	2.7
253.05005	2.3
269.04608	12.0
269.08206	22.2
269.17590	100.0
269.20978	4.2
269.24933	2.1
270.17978	3.9
273.13058	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2123
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
52.43046	0.2
59.01236	0.4
59.04997	0.2
75.00725	0.7
88.03925	0.3
89.02299	1.7
156.02333	0.3
223.20724	0.7
225.22258	1.1
251.20045	1.8
269.04517	1.0
269.09256	0.9
269.21237	100.0
270.21640	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2122
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
50.18695	0.2
55.71336	0.2
57.03305	0.2
58.59899	0.2
59.01207	0.2
71.08079	0.2
75.00728	0.5
89.02293	0.3
91.72708	0.2
97.06442	1.2
99.08009	3.7
101.00467	0.2
113.09576	2.3
125.05930	0.9
135.41846	0.2
140.81404	0.2
141.09117	0.4
143.07011	4.0
153.12747	0.8
153.83925	0.2
223.20535	0.6
251.20134	0.7
267.19653	1.6
269.21228	100.0
270.21552	6.2
285.19998	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	271.0249
Annotation	1,7-Dihydroxy-2,3-methylenedioxyxanthone
Peak:m/z	Relative Intensity
51.78331	0.3
55.80553	0.3
56.41595	0.3
59.01237	0.7
60.15054	0.3
63.89752	0.3
64.11302	0.4
65.14680	0.3
72.99155	0.4
81.03300	0.3
96.96874	0.4
108.02023	0.8
109.02818	1.8
115.05402	0.6
120.92761	0.3
125.02315	9.0
143.04872	1.9
155.04968	0.3
158.03606	1.0
159.04439	2.0
169.02922	0.4
171.04417	3.2
182.03615	0.7
183.08209	0.3
185.02309	0.8
185.06030	0.5
186.03114	2.1
187.03929	12.9
188.04346	0.6
197.02374	1.3
198.03224	1.1
199.03955	5.0
199.07541	4.9
213.01878	0.6
214.02698	2.1
215.03442	11.3
216.03735	0.6
225.01910	0.4
226.02626	1.3
227.03453	6.6
227.06987	0.6
241.05099	0.5
242.02188	11.6
243.02971	21.0
244.03340	1.0
253.14362	0.4
271.02496	100.0
271.13583	2.6
272.02820	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	271.046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33192	0.9
51.91354	0.9
52.49797	1.0
53.69660	0.9
54.82046	1.5
55.01751	1.2
59.01253	6.5
65.03813	1.1
67.60430	0.9
71.01245	3.2
72.99167	56.9
73.02802	2.2
75.00721	2.5
81.03301	1.1
87.00723	11.9
91.05409	1.6
93.03325	17.8
95.04855	1.2
99.00733	6.7
101.02335	1.1
103.00237	9.8
108.02028	6.9
109.02817	82.6
110.03145	3.2
111.03281	2.1
120.59679	1.0
121.02821	10.2
122.03600	2.8
123.04391	100.0
123.08036	1.3
124.04744	4.0
125.02306	2.2
135.04396	6.8
137.02376	1.3
145.02872	1.4
147.04385	5.5
148.01498	1.7
149.00885	1.3
149.02309	4.0
150.03030	2.0
151.03911	12.0
158.10880	1.1
163.03886	14.5
165.05486	6.0
173.02367	1.6
179.03484	2.6
181.04977	59.3
182.05296	2.2
191.03377	11.4
195.02945	17.5
197.04590	2.5
209.04456	6.0
235.02396	2.3
253.03537	31.7
254.03867	1.7
271.04617	97.2
272.04953	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	271.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70032	0.5
55.77485	0.5
59.01236	2.0
63.02259	10.2
65.00184	15.3
67.26053	0.7
71.08767	0.6
71.22140	0.5
71.55671	0.6
79.45293	0.5
83.01241	11.2
93.03317	16.7
95.01274	0.7
107.01253	27.6
108.02040	2.5
109.02827	4.1
117.03352	0.6
119.01179	0.9
119.04895	84.4
119.08181	1.2
120.05228	2.6
121.02837	1.7
125.02316	13.5
130.08565	0.6
137.02319	0.9
143.04927	1.0
145.02812	1.5
151.00262	66.2
152.00644	2.0
161.06000	1.5
165.01837	3.5
169.01343	5.9
169.06508	1.0
177.01840	11.5
185.05991	1.9
187.03941	3.5
198.30455	0.8
213.05522	2.4
214.06302	3.6
215.07143	0.8
227.07086	1.1
228.90480	0.7
241.05006	0.9
249.61320	0.6
256.07278	1.5
271.06131	100.0
271.13370	3.5
271.22827	1.6
272.06522	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0613
Annotation	Alternariol monomethyl ether
Peak:m/z	Relative Intensity
57.29478	0.8
57.44166	0.7
59.01240	1.7
62.03904	0.9
62.17217	0.8
63.08949	0.7
65.84605	1.8
65.84905	0.9
72.80319	0.9
73.97291	0.7
85.02803	0.8
93.02754	1.4
93.03316	19.7
95.46757	0.8
108.02007	1.7
109.02827	4.7
125.02317	16.6
159.04384	1.0
169.17168	0.9
171.04379	1.5
172.05157	3.7
185.02159	1.3
199.03967	3.6
200.04732	25.3
212.04707	1.7
213.01851	2.5
213.05592	2.1
214.06422	4.9
227.03412	6.3
227.68834	1.2
228.04237	29.9
229.04622	2.4
241.01384	2.0
241.05116	1.9
256.03772	88.0
256.15027	1.1
257.04111	6.4
271.06113	100.0
271.13043	5.5
271.19629	1.6
271.22815	3.0
272.06430	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	271.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65472	0.3
52.03546	0.3
54.01758	0.3
57.03302	0.4
58.02055	0.4
59.01240	7.8
63.07285	0.3
69.03304	1.6
70.75330	0.3
71.01220	0.6
72.99158	0.5
73.02810	0.7
78.95756	1.5
81.03288	0.6
83.01257	0.4
86.98483	0.8
87.00731	61.0
88.01095	0.8
93.03344	0.7
95.04871	1.2
96.96806	3.6
97.02794	1.4
99.00726	0.4
99.04370	0.4
101.24559	0.4
105.06940	1.4
107.04897	0.7
108.02048	0.9
109.02821	2.1
110.02287	0.4
111.00731	1.0
115.03891	0.7
120.99515	0.7
121.02814	2.2
122.03600	4.8
122.04417	0.6
123.04370	0.9
123.07945	0.7
125.02312	18.1
125.05902	0.5
126.02634	0.5
128.03372	0.5
130.08659	0.8
132.02855	0.5
132.05623	0.6
132.95451	0.5
135.00743	1.1
135.04413	0.7
136.05170	0.5
137.02315	1.0
137.05959	1.3
138.03110	1.2
147.08081	1.0
149.02321	1.2
149.05959	0.7
150.03116	6.1
151.03854	1.0
153.01817	23.2
153.05443	7.9
153.06628	0.3
165.05486	0.8
167.06993	2.3
168.04181	35.6
169.04517	1.4
173.04465	0.4
174.01572	1.1
174.97641	0.4
175.54633	0.4
177.09082	3.1
183.06541	100.0
184.06880	3.4
189.07492	0.5
197.11699	0.4
206.08202	0.9
211.05920	0.8
227.05379	0.9
246.48289	0.4
253.07141	0.5
271.06299	0.6
271.08234	6.6
271.11920	1.4
271.20062	0.8
271.22766	1.0
272.08588	0.6
272.11371	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0824
Annotation	4-Hydroxy-3,5-dimethoxy benzoic acid 2-hydroxy-1-hydroxymethyl ethyl ester
Peak:m/z	Relative Intensity
50.21518	0.3
55.01748	1.3
57.03305	2.1
59.01243	1.9
61.11449	0.4
68.99667	1.5
69.03307	0.6
70.01771	0.4
71.01243	5.4
72.99155	1.1
73.02789	0.9
73.70871	0.4
76.59062	0.4
76.85143	0.4
80.02527	0.6
81.03311	0.4
83.01231	6.2
83.04860	1.5
85.02806	3.4
85.06450	0.4
87.00746	1.0
93.03287	0.4
95.04881	1.3
96.96827	0.6
97.06445	6.7
99.00743	3.0
99.04339	0.4
99.08009	0.7
101.02275	0.6
107.04898	0.8
107.08518	0.7
108.02036	0.7
109.06465	3.0
110.03606	0.7
111.00737	0.9
111.08025	2.0
113.09582	0.7
121.06477	0.5
122.03565	1.1
123.08028	3.3
124.01497	0.4
124.98647	1.0
125.02309	4.4
125.05965	4.7
125.09590	35.3
126.09907	1.1
127.07491	1.6
129.01817	0.5
129.05444	3.0
135.08043	4.2
136.01543	0.8
137.05966	5.5
137.09570	2.7
138.03075	1.1
139.07564	1.9
141.09067	2.3
142.99762	2.5
143.10587	0.6
151.07562	2.0
153.05475	4.3
153.09091	13.4
154.09479	0.8
154.99736	3.0
163.07567	0.5
165.05464	1.4
165.09137	0.6
169.08594	3.6
170.08995	0.5
171.10178	1.7
172.06239	0.4
173.00784	3.3
179.06999	1.1
181.08603	1.2
189.07611	3.1
197.04413	2.5
197.08144	5.1
209.08156	0.5
224.66347	0.4
227.09213	2.5
241.07167	1.8
271.08243	100.0
272.08603	4.7
287.88165	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25668	0.8
50.41426	0.6
53.46339	1.5
53.46556	0.7
55.01746	2.6
56.80005	0.6
57.03310	0.7
57.41289	0.6
59.01226	1.2
63.85335	0.8
67.26306	0.6
68.66337	0.8
68.99670	1.6
71.01235	12.5
71.05965	0.7
71.84442	0.7
72.99150	2.6
73.02803	0.8
75.06640	0.7
81.03296	0.8
83.01231	7.3
85.02808	2.1
87.00722	1.0
95.04895	1.8
97.06450	14.3
99.00732	3.4
101.02280	1.1
108.01999	1.9
109.06432	1.5
110.03625	0.9
111.08035	1.2
116.89320	0.8
120.81293	0.8
122.03603	2.2
123.08001	3.2
124.98685	10.2
125.02312	4.2
125.05936	6.7
125.09576	7.8
127.07483	1.7
135.08002	2.8
137.05963	2.9
137.09610	3.2
138.03111	2.1
139.07527	7.0
141.09106	7.2
142.99741	35.6
151.07507	2.4
153.05484	3.0
153.09093	7.1
154.99747	37.5
155.10643	1.0
169.04959	1.0
169.08580	3.5
172.94832	1.0
173.00815	60.6
174.01164	1.6
180.04118	1.3
181.08629	1.2
197.04485	33.7
197.08148	4.1
198.04828	1.4
200.47108	0.8
209.08122	9.4
213.07681	2.1
223.06007	1.9
223.13326	0.9
227.09178	0.9
241.07146	39.4
242.07446	1.6
246.36424	1.0
271.08234	100.0
272.08557	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	271.0824
Annotation	4-Hydroxy-3,5-dimethoxy benzoic acid 2-hydroxy-1-hydroxymethyl ethyl ester
Peak:m/z	Relative Intensity
51.68554	0.6
54.20857	0.6
55.01734	2.2
57.03312	3.4
59.01241	7.4
63.02265	0.8
65.00175	1.3
68.95290	0.7
68.99673	3.0
69.03309	2.3
71.00929	0.9
71.01244	10.6
71.02853	0.7
71.04878	0.8
72.99152	2.2
73.02788	1.7
78.95751	1.2
80.02544	1.1
81.03310	2.7
83.01245	8.7
83.01704	1.2
83.04875	3.3
84.05157	0.8
85.02807	6.9
85.06431	2.6
85.20506	0.7
87.00703	1.4
89.02317	0.8
93.03327	1.5
95.04873	2.5
96.96828	3.4
97.02859	0.8
97.06454	12.4
99.00752	5.3
99.04380	2.7
99.08007	1.5
101.02300	3.0
107.01224	1.6
107.04902	2.0
107.08545	1.7
108.02021	2.4
109.02812	3.3
109.06441	5.2
111.00745	1.1
111.08018	3.4
113.05926	1.2
113.09569	1.0
115.03863	2.2
119.04915	4.3
120.99516	0.9
122.03611	2.5
123.08026	7.5
124.98688	1.5
125.02320	21.1
125.05973	8.3
125.09593	45.8
126.09946	0.9
127.07520	1.8
129.01826	1.8
130.08600	2.1
135.08014	6.0
137.05972	6.6
137.09595	4.8
138.03111	1.0
139.07497	5.7
139.11130	0.9
141.09111	4.1
142.99776	6.1
151.00264	6.2
151.07486	4.4
151.69580	0.8
153.05478	7.4
153.09100	24.8
154.99741	8.1
162.13246	0.8
165.05452	1.9
165.09105	0.9
169.08595	8.9
171.10161	3.7
173.00830	11.6
179.07063	2.3
179.10742	0.9
181.08572	2.1
193.04932	1.4
197.04498	4.7
197.08124	10.4
197.11798	1.7
197.13603	0.9
199.09700	1.1
209.08179	3.1
213.07690	0.9
227.09235	11.0
227.12692	1.6
235.13583	1.0
241.05069	1.2
241.07216	7.1
253.14520	2.9
271.08292	100.0
271.11639	4.9
271.15350	8.6
271.20114	3.9
271.22775	1.6
272.08633	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	271.0977
Annotation	396129-53-6
Peak:m/z	Relative Intensity
51.77633	0.3
54.24330	0.3
55.23591	0.3
55.30376	0.3
55.55616	0.3
58.53716	0.3
59.01245	0.8
59.02802	0.3
65.00185	2.0
65.46423	0.3
69.03268	0.3
73.42073	0.3
74.13605	0.4
89.00204	0.4
93.03309	0.7
95.01257	0.6
96.02024	1.7
97.02827	1.6
99.70340	0.3
102.84341	0.3
108.02024	0.9
109.02810	2.2
124.01534	24.6
125.02361	3.0
137.02260	0.4
139.03879	2.7
149.99483	0.7
152.01044	50.7
153.01370	1.4
165.01846	4.4
167.03421	0.9
173.05981	4.6
186.44798	0.4
209.06071	1.1
210.06819	7.9
213.05443	0.6
214.06259	0.6
237.05527	1.4
238.06322	14.2
239.06897	1.2
241.05125	0.6
253.08698	12.9
254.09070	0.7
256.07416	5.0
270.98752	1.0
271.09781	100.0
271.22372	2.0
272.10110	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	271.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83738	1.6
55.01742	1.9
57.03310	8.4
58.00464	5.1
59.01243	91.7
59.02288	1.9
62.21321	1.5
69.03317	10.7
71.01239	24.2
71.04869	15.9
79.33353	1.7
79.37653	1.8
81.03311	67.2
83.01239	25.3
83.04881	12.7
84.02035	10.6
85.02804	21.8
87.00709	2.0
88.91460	1.7
95.04892	4.9
97.02807	20.4
97.06454	8.0
99.04375	88.6
101.02299	51.9
107.08541	5.5
108.02033	4.7
109.02807	2.9
109.06483	2.6
110.03600	6.0
113.02301	5.2
115.03873	84.1
116.04250	2.2
119.08439	2.7
123.08044	3.6
125.02327	26.3
126.03104	2.3
133.10059	2.2
135.11661	2.3
139.11177	4.3
143.03383	5.5
149.09546	4.4
161.13251	43.1
167.10664	2.7
169.12279	11.5
173.13255	2.4
174.01563	2.7
179.10727	4.8
179.14372	2.8
185.11711	3.4
189.12752	3.6
191.14325	22.8
197.11766	30.2
207.13841	10.7
209.11771	6.0
209.15411	21.5
225.14873	3.0
235.13353	52.3
236.13655	6.7
253.14436	100.0
254.14874	6.2
271.08209	2.8
271.15527	56.2
271.18362	4.0
272.15646	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	271.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67654	1.8
55.01725	3.5
57.03320	13.9
57.53527	1.9
58.00442	4.0
59.01242	100.0
59.02422	2.0
69.03299	11.1
69.21924	2.1
71.01238	25.5
71.04881	24.1
73.02799	3.8
77.47704	2.1
81.03310	70.1
82.03616	2.2
83.01236	25.2
83.04873	11.4
84.02022	10.9
85.02808	22.3
91.72845	5.8
91.73372	2.6
95.01248	2.1
95.04874	5.0
96.96788	2.1
97.02817	25.4
97.06464	9.4
99.04372	96.8
101.02303	48.7
107.04912	3.3
108.02012	3.8
109.02806	6.6
109.06461	5.4
110.03659	1.9
111.08006	4.7
113.02283	5.8
115.03873	99.5
119.08492	2.1
121.06424	3.0
123.08025	5.1
125.02315	59.3
125.03244	3.6
133.09120	4.3
133.10094	49.8
133.11082	3.0
134.10518	2.3
135.07979	5.4
137.09634	2.4
139.07462	3.6
143.03401	9.4
147.11678	44.4
149.09584	4.2
151.11180	6.8
155.10660	2.6
162.06702	2.2
165.12766	4.0
169.12225	23.3
177.09111	13.5
179.14670	2.4
185.11720	6.2
191.10545	2.3
191.14340	14.8
197.11755	14.4
202.83983	2.1
207.13930	9.5
209.11845	3.3
209.15413	17.8
235.13351	72.7
236.13727	6.6
241.05052	2.7
253.14436	76.5
254.14795	6.8
256.07385	3.3
271.02548	3.1
271.08325	4.7
271.15524	80.6
271.22739	2.7
272.15820	5.4
281.46210	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	271.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12353	1.2
54.02804	0.9
55.01743	2.1
57.03318	8.6
58.00465	4.8
58.99894	1.2
59.01242	100.0
59.02448	1.7
65.03826	3.4
69.03313	13.5
71.00869	2.0
71.01241	23.3
71.01601	2.6
71.04875	22.2
73.02807	3.0
81.03311	65.1
82.03631	1.4
82.85578	1.4
83.01239	22.3
83.01698	1.8
83.04881	13.7
84.02017	10.2
84.90961	1.3
85.02814	19.7
85.06441	5.1
87.00758	1.7
87.04352	1.9
93.03317	2.8
95.04897	4.0
96.96891	1.6
97.02805	21.1
97.06445	6.4
99.04375	88.5
99.07996	2.3
100.04661	1.5
101.02299	47.0
105.53748	1.4
107.04903	4.0
107.08502	3.0
108.02019	2.7
109.02808	2.8
109.06438	5.2
110.03597	3.2
113.02325	4.1
115.03873	87.4
116.04211	2.8
119.04870	4.7
119.08537	56.7
121.06453	1.9
123.07975	3.1
125.02309	27.6
125.05962	1.6
133.10106	2.1
134.07216	2.9
135.08032	4.3
137.09598	14.4
140.09380	1.6
143.03435	7.4
143.04880	6.2
145.06462	6.7
149.09604	3.3
151.00212	2.1
153.12735	3.6
161.13248	26.4
162.97935	1.4
163.07539	49.4
164.07993	1.9
167.10664	2.0
169.12231	6.4
173.13252	3.7
179.10706	2.9
179.14294	1.7
181.08604	15.4
181.12088	1.8
183.13866	2.7
185.11763	4.8
191.14323	17.3
197.11751	19.5
201.96532	1.5
207.13837	11.8
209.11742	4.1
209.15437	12.2
217.12193	1.9
225.15115	1.7
227.12845	4.0
235.13365	40.0
253.14435	62.8
254.14694	2.8
271.06024	4.3
271.12314	1.5
271.15509	49.0
271.20001	2.4
272.16058	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	271.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03517	0.9
54.48895	1.0
55.87044	1.0
57.03108	0.8
57.03314	8.5
58.00447	3.5
59.01241	62.2
64.64913	1.0
65.44975	0.9
66.96480	0.9
69.03299	5.5
71.01241	8.6
71.04881	8.5
72.99158	2.4
73.02798	4.4
78.95741	1.0
81.03308	10.9
83.01225	3.9
83.04878	4.4
85.02820	7.0
87.04369	11.0
91.73329	1.5
93.03307	1.7
95.04860	2.3
96.96796	2.0
97.02797	6.1
97.06428	3.6
99.04375	24.3
100.99843	1.3
101.02299	81.4
101.05937	1.3
108.02002	2.0
109.02808	3.8
111.14056	1.0
113.02315	4.8
115.03871	83.8
116.04181	1.4
121.10104	4.4
124.55850	1.2
125.02312	46.5
127.03876	1.2
131.03366	30.9
132.03625	1.4
133.10098	9.4
135.11702	1.9
140.04631	1.4
143.03365	3.3
149.09668	1.7
151.11195	2.1
154.69687	1.3
167.10603	6.0
173.13220	5.7
189.12747	2.3
191.14337	19.5
213.05502	1.5
214.06320	2.8
216.27359	1.1
217.12305	3.1
235.13362	25.0
241.04968	1.5
253.14418	34.7
254.14827	1.2
255.06699	1.7
271.05814	2.4
271.08289	3.8
271.15546	100.0
271.18802	3.4
272.15848	3.5
276.71805	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.228
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
59.01207	0.1
91.73386	0.4
93.03272	0.2
109.02808	0.7
125.02302	1.2
179.32825	0.2
225.22206	4.6
226.22522	0.3
226.45975	0.2
241.05045	0.2
251.20383	0.1
253.21700	1.7
256.53220	0.1
269.21167	0.8
271.22797	100.0
272.23141	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	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
51.06833	0.2
56.60794	0.3
56.95622	0.2
56.95949	0.3
57.03300	0.4
59.01234	1.1
71.01247	0.4
72.59429	0.2
81.03296	0.5
83.01259	0.3
83.04864	0.4
85.97978	0.3
92.75649	0.3
93.03316	0.7
96.96799	0.3
97.02809	0.6
97.06478	0.3
99.04388	0.7
101.02343	0.4
109.02808	1.1
115.03883	0.4
125.02312	19.6
130.08635	0.6
173.04485	0.7
174.94131	0.3
189.07559	0.3
203.28914	0.4
212.62923	0.4
214.06348	0.3
225.22231	4.1
235.13387	0.3
241.05231	0.5
253.14374	0.3
253.21765	1.3
259.31342	0.3
265.34451	0.3
269.21213	0.8
271.05942	0.9
271.08484	1.8
271.22800	100.0
272.23163	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	271.228
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.97136	0.5
59.01244	1.2
59.86896	0.6
61.65501	1.4
61.65781	0.7
62.64368	0.6
76.72469	0.5
93.03323	0.9
120.74857	0.7
125.02314	22.8
125.03233	1.1
133.37161	0.7
141.86073	0.7
189.07594	0.7
190.54477	0.7
197.18967	1.1
211.03699	0.6
221.19019	0.9
223.20639	4.4
225.22197	64.2
226.22597	3.1
253.21773	2.4
271.08295	2.0
271.22806	100.0
272.23141	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	273.0103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50880	0.1
57.82598	0.2
57.90899	0.2
59.01229	1.0
64.54862	0.2
70.88563	0.2
72.99156	0.3
74.99228	0.7
79.23789	0.2
82.02509	0.2
82.99776	0.4
87.00732	1.9
88.57355	0.2
96.59135	0.2
98.34267	0.2
105.33833	0.2
109.98421	0.2
111.00730	0.6
111.09190	0.2
117.00293	1.0
125.00816	18.4
126.00898	1.4
126.95078	0.5
126.98745	40.2
127.98853	2.3
141.00320	0.4
141.97466	3.2
146.85773	0.2
147.47641	0.2
157.03493	0.6
159.01376	1.1
168.94209	1.0
168.99832	100.0
169.99973	7.9
183.01381	3.7
184.01523	0.4
185.02892	0.9
197.86348	0.2
197.94057	0.2
211.00919	2.0
212.98790	0.4
229.02046	0.8
236.90849	0.2
236.98793	0.9
244.68083	0.2
254.99960	1.8
273.04651	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.077
Annotation	10-deoxygerfelin
Peak:m/z	Relative Intensity
50.35316	0.2
51.60588	0.2
52.74419	0.4
59.01232	0.5
62.40752	0.8
62.41101	0.5
65.00163	0.2
67.05370	0.6
68.99685	0.2
71.85025	0.2
95.04873	0.4
96.95836	0.2
111.04385	10.6
117.03329	1.9
130.04115	3.8
131.04916	3.8
133.02826	11.9
134.03185	0.4
143.04950	0.3
153.01781	0.3
157.02855	0.3
157.06410	0.6
158.03630	13.3
159.04420	3.0
170.07314	0.4
171.04430	0.3
172.05130	0.3
173.09555	0.3
185.02364	10.1
185.05975	2.1
185.09598	0.2
186.02768	0.4
186.06767	0.6
187.03888	0.6
191.05519	0.6
194.92514	0.3
199.07614	0.3
201.09151	5.8
213.05470	2.3
214.06248	1.2
229.08669	100.0
229.17551	0.9
230.06815	0.4
230.09015	4.9
242.69193	0.2
250.59679	0.2
273.07706	58.7
274.08011	3.1
276.83282	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	273.077
Annotation	10-deoxygerfelin
Peak:m/z	Relative Intensity
50.45675	0.6
59.01222	1.3
62.40785	1.3
62.41056	0.7
68.58247	0.9
75.86652	0.7
81.00811	0.7
85.02778	0.7
87.49624	0.8
93.03289	1.5
96.95835	2.0
109.02818	1.5
117.03326	1.9
130.04102	3.9
133.14494	0.8
142.07764	1.0
143.04852	1.4
145.02841	1.7
145.38533	0.8
146.03542	0.9
147.04462	0.8
153.01842	1.9
157.06400	1.1
158.03679	1.0
169.06467	4.3
170.07286	9.0
171.04440	8.5
175.03815	1.0
183.08069	2.8
185.05998	13.9
185.09634	15.4
186.03130	2.4
186.06712	3.9
191.05545	1.6
192.24191	0.8
198.03127	5.5
199.03850	2.3
213.05519	12.6
214.06296	31.4
215.06726	1.5
217.08591	1.6
229.08667	100.0
230.05815	1.4
230.09019	4.5
245.08159	2.6
258.05350	1.8
265.06326	0.8
273.07703	84.9
274.08011	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0769
Annotation	10-deoxygerfelin
Peak:m/z	Relative Intensity
55.11975	0.6
58.66184	0.8
59.01229	1.3
62.40801	0.9
65.35360	0.6
80.16210	0.7
93.03321	2.3
93.63464	0.7
117.03332	1.9
130.04108	3.2
135.28139	0.8
139.23222	0.9
157.06522	2.0
158.03571	1.4
169.06453	3.5
170.07289	8.9
171.04381	8.6
183.08128	1.8
185.06009	13.4
185.09631	16.7
186.03102	1.4
186.06740	3.6
191.05504	2.6
198.03178	3.5
199.03946	2.9
213.05528	12.6
214.06290	33.0
215.06689	1.5
229.04987	3.0
229.08669	100.0
230.09026	3.9
273.07712	80.3
273.20819	1.0
274.08154	4.4
283.88675	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34236	0.2
58.23309	0.2
59.01231	0.8
63.09652	0.2
65.16835	0.4
65.17144	0.3
71.60321	0.3
85.02814	0.4
89.02290	0.2
93.03316	3.5
106.04108	1.8
107.04880	0.6
108.02025	0.3
117.03317	4.1
119.04896	1.8
123.04415	0.2
129.15634	0.2
130.04163	0.3
131.04889	0.5
132.05672	2.3
132.92752	0.2
143.04904	11.1
143.65144	0.2
144.05293	0.7
145.06535	0.4
147.86591	0.2
156.05722	1.1
157.06487	1.5
191.05545	1.9
207.08070	0.2
221.09624	0.4
223.07591	1.2
234.06850	0.3
235.07587	1.7
247.07719	0.3
248.08324	0.4
248.19385	0.3
249.09195	25.8
250.09738	3.2
272.08121	0.6
273.08981	100.0
273.21021	0.9
274.09326	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	273.098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82329	0.5
57.03303	2.5
59.01241	16.6
67.01751	0.8
69.03312	1.5
71.01237	23.1
72.99164	4.9
73.02806	2.5
75.00719	1.0
80.02541	0.8
81.03298	2.7
82.61679	0.5
83.01228	7.7
84.02027	1.2
85.02802	5.4
85.06427	1.7
87.00728	31.9
88.42700	0.6
89.02300	1.7
97.02767	0.6
97.06438	1.2
99.00725	3.7
101.02293	1.2
101.05947	1.1
108.02031	11.1
109.06427	1.1
111.00753	3.9
111.08002	3.3
112.98672	0.7
113.02317	4.2
113.05940	1.5
114.96642	0.8
115.00232	73.2
116.00517	1.0
117.01839	3.9
121.02799	0.8
121.06448	2.3
122.03600	1.4
123.08023	7.7
125.05956	1.2
125.09599	2.2
127.00233	1.4
127.07502	1.5
129.85786	0.7
135.08008	1.6
136.05203	1.8
137.05939	2.2
137.09590	1.4
139.00253	5.0
139.07524	3.9
139.11150	0.8
141.09065	2.1
150.03091	1.1
151.07533	22.3
152.07838	0.9
153.09091	2.9
154.84641	0.6
155.06998	3.1
157.01315	7.3
163.07466	1.4
165.05492	0.8
165.09094	9.3
167.07057	2.2
169.08609	3.7
173.08069	1.9
174.95634	1.0
175.02385	100.0
176.02730	2.5
179.81200	0.7
181.08684	4.0
183.10172	1.2
185.08105	1.7
193.04977	1.8
193.08636	8.5
194.43315	0.7
197.08076	0.8
211.09669	9.7
213.07610	6.3
215.09209	1.3
237.07605	4.7
248.93015	0.7
255.08559	1.5
273.10141	3.8
273.13483	2.8
273.16891	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73085	0.9
57.03315	3.6
59.01242	27.2
67.01772	1.9
71.01239	24.0
71.04876	1.1
72.99161	2.9
73.02814	2.0
73.12991	0.8
75.00749	1.2
81.03312	4.7
83.01247	8.5
85.02818	6.4
87.00732	30.3
89.02322	2.8
90.98468	3.0
97.06417	1.4
99.00737	4.6
101.02271	1.1
108.02031	14.0
109.06461	2.3
111.00728	2.7
111.08038	4.5
113.02310	4.2
113.05930	1.4
115.00237	70.6
115.03849	1.0
116.00558	1.6
117.01795	5.9
121.02837	1.1
122.03596	2.8
123.04414	1.6
123.08048	10.4
124.38580	1.0
125.09620	2.6
127.00220	1.9
127.07494	2.0
135.08035	1.7
136.05145	2.0
137.05940	1.5
137.09604	1.3
139.00258	5.6
139.07529	4.1
141.09070	2.8
150.03136	1.3
151.07536	28.9
153.09099	4.7
153.53551	1.1
155.07011	4.8
157.01314	8.3
165.05507	1.5
165.09102	14.0
167.07079	3.0
169.08588	6.9
173.08073	2.5
175.02393	100.0
179.07124	1.2
181.08604	4.5
183.10210	2.6
185.08090	2.3
193.04962	2.0
193.08603	14.8
197.08061	1.5
199.13985	1.0
211.09715	19.0
213.07695	5.6
215.09109	1.3
225.07628	1.1
236.66702	1.2
237.07637	3.1
250.54427	1.1
255.08682	2.0
273.09766	3.7
273.13284	3.2
273.17035	7.8
274.09747	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85303	0.7
58.94712	0.8
59.01243	8.8
59.84565	1.0
69.03324	1.0
79.39722	0.7
82.32504	0.7
85.02850	1.1
93.03382	1.1
95.39410	0.7
110.02317	4.9
110.06012	2.2
111.05515	0.8
121.05228	2.2
134.06038	2.0
136.03931	9.9
136.04849	0.8
136.07555	28.6
138.05510	4.6
144.02945	0.8
147.03214	2.8
148.03964	0.9
149.04704	4.6
150.05556	2.4
150.09163	1.3
162.05504	7.2
182.06062	3.4
183.06798	2.7
185.07147	1.0
191.05666	3.3
196.07649	1.7
197.06915	1.4
197.08571	5.6
201.07930	4.5
202.12392	0.9
211.05090	11.7
211.08694	1.2
212.05914	3.4
212.10774	23.3
213.06674	2.8
213.11188	1.0
214.08815	1.5
215.09485	5.7
215.40364	0.9
218.52281	1.0
225.06639	30.8
226.05132	1.7
226.07410	28.3
227.08220	5.9
227.11790	1.8
230.11797	17.4
230.13953	1.0
231.12062	0.8
239.06190	0.9
239.08228	4.9
240.09010	25.6
241.09489	1.2
243.07761	3.8
244.08383	1.4
254.10793	2.6
255.11375	100.0
256.11856	5.2
258.10095	6.9
273.04419	1.1
273.07791	2.8
273.12482	16.1
273.15027	1.7
273.17300	1.5
273.20834	1.0
293.80865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06376	0.6
54.22159	0.6
57.03313	7.4
57.13499	0.5
58.00453	2.2
59.01244	29.7
59.68470	0.5
63.55054	0.8
69.03308	2.1
71.01238	4.7
71.04877	3.3
72.99174	0.8
73.02800	2.1
81.03311	13.7
83.01244	5.6
83.04900	1.0
84.02037	1.5
85.02805	4.9
87.04380	4.2
95.01266	0.7
97.02825	4.7
99.04378	31.9
99.08013	0.7
100.04694	0.6
101.02305	92.4
101.05032	1.3
102.02640	1.2
107.34770	0.6
113.02302	3.5
115.03062	1.4
115.03874	25.2
115.04662	1.3
121.02823	1.2
131.03400	14.6
135.11687	1.9
139.11163	0.7
143.03401	5.0
151.11194	1.4
153.12740	17.5
154.13086	1.1
159.76170	0.6
163.11183	3.8
165.12741	1.1
167.10606	0.7
169.12245	1.7
175.14821	9.6
176.15115	0.9
179.10641	1.4
181.12245	8.2
191.03439	1.0
191.05513	0.9
191.14359	3.4
193.12247	1.1
193.15907	10.6
194.16209	0.8
198.50160	0.6
207.13989	0.8
209.15410	5.3
218.76469	0.6
219.13898	6.3
226.72179	0.7
237.14944	50.8
238.15338	3.2
255.16020	33.7
256.16345	2.6
273.17099	100.0
274.17435	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	273.2226
Annotation	2-Fluoropalmitic Acid
Peak:m/z	Relative Intensity
54.30092	0.3
57.00219	0.3
59.01231	0.4
76.07681	0.3
88.41425	0.4
92.02531	1.1
92.46177	0.3
93.40726	0.3
93.60228	0.4
95.01212	0.4
106.04095	4.9
107.04873	0.9
108.02007	0.7
114.46780	0.4
119.04887	10.1
121.02824	4.9
129.85008	0.4
133.06482	4.4
136.48094	0.4
137.02338	0.4
142.48204	0.4
147.07980	0.5
161.09555	0.6
164.94524	0.3
175.11171	0.8
182.86777	0.4
191.05519	1.1
273.22256	100.0
274.22583	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	275.0563
Annotation	Isogranulatimide
Peak:m/z	Relative Intensity
50.01171	0.6
51.99282	0.4
55.67142	0.4
57.24810	0.3
59.01242	0.8
62.90541	0.4
67.01756	0.5
75.79070	0.4
80.02546	0.5
81.03319	1.1
91.01749	1.3
95.01249	5.1
96.95844	0.4
103.05388	0.6
104.65207	0.4
107.01208	0.5
108.02029	56.2
108.04942	0.7
109.02830	17.8
111.00747	0.9
121.24599	0.4
123.00748	45.7
123.04364	1.3
124.01550	11.9
125.02316	1.4
133.02815	0.9
139.00273	1.7
145.06532	2.6
150.03148	0.7
151.00249	3.0
152.01038	39.2
152.06041	0.7
153.01822	8.1
159.04414	0.7
163.07587	0.4
171.04483	0.8
175.03929	0.8
187.03934	1.3
198.03175	0.7
199.03899	2.5
203.03409	0.6
215.03304	1.1
216.04237	21.2
217.04634	0.8
219.02974	0.5
231.06598	22.6
232.06918	1.0
243.02859	0.9
247.54039	0.5
260.03265	24.0
261.03690	1.1
275.05634	100.0
276.06006	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	275.0926
Annotation	Notoserolide D
Peak:m/z	Relative Intensity
52.65672	0.5
58.75439	0.9
59.01225	1.6
62.91457	1.0
62.91727	0.4
74.06580	0.5
74.13670	0.5
79.95581	0.5
101.29475	0.5
105.70203	0.6
108.01997	0.8
116.92726	1.1
118.49413	0.5
119.04941	0.7
121.02834	0.8
122.03596	8.0
124.01517	0.8
134.03589	1.0
136.01541	2.9
138.79472	0.5
145.02805	0.6
146.03615	1.9
147.04424	5.1
148.05225	2.5
150.94698	0.9
159.04422	4.9
160.05191	11.5
173.02354	1.6
173.05978	4.0
174.03117	1.9
174.45287	0.5
175.03952	4.3
180.12990	0.5
187.03929	2.0
187.07567	0.7
188.04726	11.6
188.08334	8.2
189.08893	0.6
192.95811	3.3
203.10707	32.5
204.11017	1.7
216.11504	1.7
217.04977	0.7
231.10233	43.5
231.13914	1.7
232.10841	4.7
237.59610	0.6
247.09718	0.7
260.10495	3.0
269.55606	0.6
275.09265	100.0
275.12662	5.0
276.09579	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	275.0927
Annotation	Ascochitin
Peak:m/z	Relative Intensity
50.89875	0.2
51.36845	0.2
53.24122	0.4
59.01225	0.7
62.91438	1.0
70.93401	0.4
89.62848	0.3
93.03311	0.3
95.04932	0.3
95.85619	0.3
103.73634	0.3
117.03345	0.8
119.04921	0.4
130.04123	3.6
131.04921	4.4
133.02792	0.7
143.04889	0.3
156.62279	0.3
158.03642	2.3
159.04420	11.2
162.03104	0.3
169.06520	0.4
170.07310	1.7
182.03886	0.3
183.08087	1.1
184.08812	0.3
185.09615	1.7
187.03931	37.0
188.04581	3.4
190.02620	0.7
191.03439	0.6
192.95824	1.4
198.06776	0.4
213.09155	3.7
231.10236	100.0
231.18962	0.9
232.10576	4.8
247.09753	0.4
275.09271	87.6
276.09622	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	275.0927
Annotation	Dysodensiol C
Peak:m/z	Relative Intensity
54.10638	0.3
54.10859	0.2
57.86592	0.3
59.01243	0.4
61.93060	0.3
70.32858	0.2
121.60392	0.2
131.04919	0.5
134.03600	0.3
136.08755	0.2
145.02866	0.3
145.31384	0.2
147.04436	1.3
159.04416	0.7
160.05196	64.7
160.10902	0.6
161.05534	2.5
162.03067	0.9
168.56165	0.2
174.03105	0.9
187.03935	3.2
187.07545	0.2
187.11229	0.2
187.26445	0.2
188.04726	2.2
188.08411	0.4
189.50868	0.2
192.95857	0.6
201.05574	0.3
203.03598	0.9
203.10712	100.0
203.18880	0.8
204.11046	5.1
222.23622	0.2
231.10234	36.8
232.03647	0.3
232.10597	1.9
247.09810	0.4
275.09271	9.8
275.16425	0.3
276.09665	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0926
Annotation	Notoserolide D
Peak:m/z	Relative Intensity
51.84178	0.5
56.19511	1.6
56.19775	0.9
58.12131	0.4
59.01238	1.7
60.30315	0.4
62.91479	0.7
69.51896	0.4
73.17711	0.5
75.86789	0.5
87.27736	0.5
92.02512	0.9
93.03312	0.6
106.04102	1.6
107.08539	1.5
116.92676	0.5
117.03352	1.5
119.04893	1.4
121.02802	4.6
128.03096	0.5
130.04114	18.8
131.04901	1.0
132.05705	0.7
143.04903	24.2
144.05696	7.3
145.06470	4.9
145.10127	1.9
146.03653	0.9
147.04398	1.5
157.06444	0.9
158.03593	0.7
160.05222	0.7
171.08057	2.4
171.50079	0.6
172.08774	1.6
174.03127	1.7
177.93996	3.0
185.09680	1.7
187.03952	1.9
187.11208	67.0
188.04700	0.9
188.11577	4.5
190.02657	0.9
191.03394	1.3
192.95743	3.6
203.10715	2.1
215.07106	0.7
231.10243	35.3
231.13834	1.0
232.10493	1.5
247.09773	1.3
275.09268	100.0
276.09601	4.9
298.02106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0927
Annotation	CHEBI:69071
Peak:m/z	Relative Intensity
50.97578	0.7
58.61113	0.7
59.01221	2.3
62.91473	0.9
63.20589	0.7
64.99924	0.7
65.00185	7.0
74.94626	0.7
83.04884	1.2
88.72258	0.7
91.01752	20.6
92.02029	0.8
93.03293	2.2
95.01231	1.0
97.02804	0.9
107.01202	0.7
108.02032	11.9
109.02813	3.5
119.04897	20.5
121.02792	1.5
121.06476	1.0
123.00744	9.7
124.01537	6.8
130.04086	2.6
135.04436	0.8
139.03923	4.4
143.04890	1.3
145.02798	2.6
146.03615	6.3
147.04408	33.4
148.04727	1.4
151.00200	0.9
152.01054	8.3
152.85184	0.9
153.01788	0.9
159.04430	1.1
174.03148	1.7
185.09622	2.2
187.03934	5.8
187.11116	1.9
188.04666	3.2
189.05539	1.2
198.06689	1.9
203.07379	0.8
203.08955	1.2
203.10716	18.1
213.09096	3.0
215.07106	11.4
216.04311	3.7
216.07713	0.8
231.06712	24.5
231.10225	100.0
232.06999	0.9
232.10516	5.2
260.03326	4.5
274.97433	1.3
275.05655	26.1
275.09247	88.2
275.12637	3.7
276.09512	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	275.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82070	0.3
57.03315	0.8
59.01003	0.2
59.01245	2.2
59.88259	0.2
60.48446	0.3
60.99161	0.5
67.01748	4.2
69.03318	0.7
71.01244	2.6
73.02785	0.5
81.03313	0.8
83.04881	1.1
84.84617	0.2
85.02819	0.7
87.00739	0.7
89.17779	0.2
89.56737	0.2
93.01022	0.4
93.03316	25.5
93.05865	0.3
94.03673	0.6
99.04366	0.3
101.02302	0.7
101.05941	36.9
102.06287	0.7
109.02826	0.7
111.00738	0.9
111.04382	4.7
113.02294	0.3
127.03917	0.4
137.02330	5.4
141.09180	0.3
155.03387	5.1
159.01939	0.2
172.98627	1.1
173.04462	100.0
173.11115	0.7
174.04828	2.9
191.02692	0.2
215.09177	0.4
232.30118	0.2
238.82648	0.2
275.11386	22.3
276.11850	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.129
Annotation	Ethambutol Hydrochloride
Peak:m/z	Relative Intensity
54.11540	0.3
54.55204	0.2
58.76340	1.0
58.76657	0.4
59.01246	1.2
68.94260	0.2
73.72907	0.2
82.00417	0.2
84.23084	0.3
85.97118	0.2
92.02527	1.7
93.03319	0.3
95.01201	0.4
101.02301	0.6
106.04096	7.5
106.24424	0.2
107.04260	0.3
107.04898	3.9
108.02055	0.6
112.49888	0.2
116.92694	0.5
119.04893	9.2
121.02823	8.8
133.06413	0.8
137.02316	0.5
147.08043	0.8
150.94678	0.4
158.05162	0.2
161.09576	0.5
167.54225	0.3
175.11186	1.7
186.09309	0.3
187.11238	0.4
191.05406	0.3
192.95767	1.2
201.12770	0.9
203.06464	0.9
203.14348	100.0
204.14706	4.9
213.12794	0.7
229.12384	0.3
231.13875	25.8
232.14226	1.5
233.01822	0.2
251.60397	0.3
263.90823	0.3
275.00693	0.6
275.12912	76.9
276.13251	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49398	1.0
56.46865	0.7
59.01234	3.0
59.02310	0.9
59.27884	2.2
59.28135	0.8
70.72638	0.7
73.83520	0.8
74.23851	0.8
76.31535	0.6
85.30473	0.9
86.40910	0.7
105.06992	0.7
106.48878	0.8
109.32149	0.8
116.92731	1.3
145.06494	2.3
147.04388	8.1
149.05984	1.0
150.94611	1.3
158.03624	8.3
172.05185	1.8
173.05994	33.9
174.06396	1.8
175.03918	21.9
176.04306	1.0
188.04742	0.8
189.05528	1.5
189.09061	1.1
192.94405	0.9
192.95859	7.6
193.04976	1.1
200.04878	1.0
215.10739	1.1
217.05011	94.2
217.08632	6.0
218.05338	3.8
231.78784	0.9
232.10980	2.6
243.10233	1.9
245.11688	1.0
247.09795	1.7
259.99835	1.4
260.10544	100.0
261.10995	6.4
268.29382	0.9
275.09253	5.3
275.12906	19.6
276.13531	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82438	0.5
58.13223	1.0
58.44326	0.7
59.01246	2.0
62.92395	1.4
66.06776	0.6
74.06108	0.5
90.46322	0.6
93.39699	0.6
98.09598	0.6
98.28421	0.6
107.04906	1.5
116.85342	0.7
119.04945	1.6
121.06483	1.2
122.03596	3.4
123.04385	1.0
131.04935	1.7
133.06438	1.8
135.04443	1.1
136.01588	1.0
143.04880	1.1
144.05745	2.9
145.06523	2.3
146.03656	1.3
146.07291	1.9
147.04457	2.3
147.08029	24.3
148.05188	1.5
148.08389	0.9
154.63647	0.6
157.06494	4.5
159.04404	18.1
159.08075	2.1
160.05225	5.8
161.05998	2.6
171.08113	0.9
172.05269	2.2
173.05974	7.6
173.09758	1.0
174.03252	1.2
174.06784	1.9
175.03967	0.8
183.08122	2.3
184.08823	3.6
185.06009	1.1
185.09724	1.3
186.06821	1.2
187.03943	1.0
187.11217	0.8
188.04700	3.8
188.08423	3.0
189.05458	1.2
189.12848	0.8
192.95763	3.5
199.11218	22.9
200.08456	0.8
200.11653	1.4
201.05644	2.5
201.09145	24.6
201.11028	1.5
201.12773	13.1
202.09503	1.2
203.03557	1.0
203.10703	11.9
203.12411	0.9
203.14436	1.8
204.11177	0.8
213.09377	1.7
213.12817	1.1
215.10713	7.6
216.11526	1.5
217.05109	1.3
217.12271	5.4
228.07967	1.6
229.08752	1.0
231.04724	0.8
231.10355	18.6
231.13870	53.3
232.11067	0.8
232.14250	3.5
243.10278	4.9
244.11017	1.4
245.11931	1.2
246.09009	1.5
260.10486	1.0
275.09406	42.9
275.13004	100.0
276.09760	2.9
276.13293	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	275.2018
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
54.60367	1.1
59.01245	12.3
77.48183	1.0
95.56941	1.3
108.03770	1.4
117.85896	1.3
128.92438	1.2
133.00070	1.3
139.51587	1.5
146.45595	1.4
158.99841	1.4
177.16472	1.7
231.21121	7.8
247.09633	2.7
275.09464	7.3
275.12939	2.6
275.20187	100.0
276.20505	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	275.2383
Annotation	3-Androstanol
Peak:m/z	Relative Intensity
54.04432	0.3
60.59821	0.3
67.31376	0.3
82.03078	0.3
84.14893	0.4
92.02514	2.1
106.04104	8.3
107.04913	0.6
108.02063	0.6
119.04873	2.2
121.02819	8.1
133.06454	0.8
137.02261	0.5
161.09679	0.3
184.25317	0.4
190.98943	0.3
275.23822	100.0
276.21252	0.3
276.24115	6.7
276.26892	0.6
293.19455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1081
Annotation	Coriamyrtin
Peak:m/z	Relative Intensity
52.39707	0.2
52.68197	0.2
53.73831	0.2
54.25629	0.2
55.39299	0.2
57.03289	0.6
57.85895	0.2
59.01215	0.6
66.65331	0.2
69.03285	0.7
76.16988	0.2
83.04875	0.3
83.96064	0.2
87.04330	0.6
91.73396	0.4
93.03293	0.5
93.59157	0.2
95.04853	0.3
97.06448	1.3
99.08004	1.8
105.06953	0.4
106.04027	0.3
107.04237	0.2
107.04892	1.8
108.02081	0.2
111.07986	0.3
113.05936	0.6
119.04883	1.1
121.02828	2.0
121.06474	2.7
122.03639	0.5
123.04347	0.5
123.07985	0.7
125.05937	1.2
127.07510	0.6
131.04878	0.5
133.06467	0.5
134.03560	0.7
135.04416	1.4
136.05153	0.6
137.05937	0.4
139.07474	0.5
143.04839	0.3
145.06514	0.4
146.03554	0.4
147.04404	2.0
148.05191	7.2
149.05972	16.1
150.03145	0.2
150.06291	0.6
151.07529	2.5
152.91635	0.7
158.03586	0.4
160.05243	0.2
161.02319	0.2
161.06026	0.5
161.09497	0.3
162.06673	0.7
163.03888	0.4
163.07571	0.2
165.09108	0.3
172.05170	0.8
173.02373	0.2
173.05946	0.4
173.09634	0.2
174.03081	0.7
175.03979	1.2
176.04752	0.7
176.08342	0.3
177.01813	0.9
177.12662	0.2
187.04036	0.2
187.11192	0.4
188.04695	0.5
189.05479	2.2
189.09062	0.4
189.12756	0.7
190.06288	1.1
191.07071	1.2
191.10675	1.7
194.92683	0.9
194.95505	0.5
200.08351	0.3
203.03365	0.2
203.07141	0.3
203.10786	1.0
203.12378	0.2
205.12299	1.9
212.93898	0.4
213.09120	0.3
215.10750	2.4
216.04210	0.5
216.10979	0.2
217.08647	0.6
218.09392	2.0
219.02992	0.3
230.09425	0.5
231.10229	3.4
233.02164	1.0
233.11803	100.0
234.12140	5.7
241.47409	0.2
249.11313	0.9
259.09763	7.3
260.10144	0.4
262.08377	0.4
277.10822	10.1
277.14154	0.7
277.21826	0.3
278.11197	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1082
Annotation	Coriamyrtin
Peak:m/z	Relative Intensity
56.60883	0.1
57.03246	0.7
57.03497	0.2
59.01195	0.4
68.99619	0.2
69.03248	0.7
79.10071	0.2
81.03287	0.3
82.03986	0.2
86.82214	0.2
87.04301	0.5
91.05391	0.2
91.72678	0.2
93.03236	0.3
97.06462	1.1
97.06966	0.3
99.08009	1.3
105.06958	0.2
106.04089	0.2
107.04891	1.5
108.01914	0.3
109.02750	0.2
113.05888	0.5
119.04926	1.0
121.02825	1.8
121.06464	2.8
122.03548	0.6
123.04384	0.5
123.07984	0.5
123.33193	0.2
125.05949	1.0
127.07457	0.5
131.04791	0.3
133.02786	0.3
133.06383	0.5
134.03566	0.6
135.04424	1.2
135.08008	0.3
136.01476	0.2
136.05122	0.7
137.05914	0.4
139.07497	0.4
143.04817	0.3
144.05602	0.2
145.02803	0.3
145.06448	0.3
146.03584	0.6
147.04417	1.8
148.05199	6.8
149.02271	0.3
149.05978	14.5
150.03105	0.3
150.06232	0.5
151.06561	0.2
151.07542	2.3
152.91605	0.7
158.03566	0.4
159.04385	0.5
160.05173	0.4
161.05963	0.4
162.03107	0.3
162.06709	0.6
163.03827	0.5
163.07440	0.2
165.09088	0.3
167.90276	0.2
172.05173	0.8
173.02133	0.2
173.05937	0.3
174.03169	1.1
175.03911	1.4
175.07559	0.2
175.11179	0.2
176.04596	0.5
177.01787	0.6
177.09018	0.2
177.12694	0.3
187.11177	0.5
188.04686	0.6
189.05472	2.0
189.09172	0.3
189.12790	0.9
190.06212	0.8
190.09863	0.2
191.07010	0.9
191.10725	1.8
194.92734	0.8
200.08313	0.2
203.07019	0.3
203.10724	1.2
205.12286	2.5
212.93758	0.3
215.10718	3.3
215.14021	0.2
216.04291	0.3
217.08730	0.3
218.09441	1.7
221.11766	0.2
230.09460	0.3
231.10249	3.3
232.10762	0.2
233.02223	0.9
233.11809	100.0
234.12144	5.5
249.11266	1.2
259.09763	8.1
260.10123	0.3
262.08438	0.4
277.10861	9.8
277.14337	1.0
277.21786	0.5
278.11288	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1082
Annotation	Panal
Peak:m/z	Relative Intensity
51.42337	1.1
56.43401	1.2
56.67282	1.2
57.03317	12.4
59.01237	4.9
65.03820	6.2
67.01742	1.4
81.03311	9.6
83.04876	14.7
91.05415	2.3
91.73343	2.2
93.03315	5.9
93.14405	1.4
95.04887	3.1
97.06454	6.9
99.08017	53.4
100.08363	2.3
103.05384	1.8
105.06968	2.9
106.04127	3.8
107.04888	11.1
108.02032	3.9
109.02824	7.7
111.00730	1.6
119.04893	15.3
120.05652	2.3
121.02845	12.1
121.06457	28.7
123.04427	3.7
123.08026	31.6
124.08396	1.6
125.27565	1.6
127.07546	4.5
130.04106	12.0
131.04898	42.1
133.02824	5.3
134.03612	17.5
135.04414	2.6
136.05261	2.2
143.04903	4.3
144.05695	4.3
146.03619	5.0
147.04401	8.8
148.05217	4.3
149.02295	1.9
149.05972	45.0
151.07542	5.4
152.91649	7.1
157.02805	2.1
157.06526	1.6
158.03618	2.3
159.04431	5.7
160.05205	6.8
161.02371	5.7
161.05984	2.2
161.09581	2.1
162.03127	3.5
163.07651	1.6
163.11234	4.0
165.09145	10.4
171.04439	6.2
172.05235	9.6
173.05927	2.4
174.03244	2.0
175.03929	8.3
175.07646	2.0
175.11148	8.4
176.04668	2.0
177.09167	10.9
177.12817	1.8
187.11203	10.0
189.09158	5.0
189.12791	5.6
191.10736	7.2
194.92731	7.9
194.95543	4.7
197.09726	2.8
203.10728	59.4
204.07878	6.8
204.11488	15.1
205.08646	15.8
205.12288	32.4
212.93892	2.6
215.10733	100.0
216.11055	4.6
217.08647	3.7
218.09393	2.6
231.10281	9.0
233.11806	75.2
234.12175	5.0
247.09792	6.6
249.11293	3.0
259.09790	18.4
260.10229	2.2
277.10834	33.2
277.14429	9.6
277.21756	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	277.1081
Annotation	8beta-Hydroxyeremophil-7(11)-ene-6alpha,15
Peak:m/z	Relative Intensity
57.03219	0.5
57.03489	0.3
59.01176	0.3
65.14406	0.1
65.24538	0.1
66.35148	0.1
77.35258	0.1
93.03201	0.3
95.04787	0.2
96.96738	0.2
97.06335	0.9
99.08007	1.1
105.06873	0.4
107.04904	0.8
109.02726	0.2
111.07924	0.2
119.04806	0.2
121.02824	1.4
121.06459	2.0
123.04280	0.5
125.03687	0.1
130.58182	0.2
131.04807	0.2
133.02687	0.2
134.03503	0.6
135.04404	0.9
136.05115	0.3
139.99484	0.1
146.03542	0.2
147.04399	1.4
148.05193	6.5
149.00981	0.2
149.05971	15.2
150.06285	0.4
152.91528	0.5
158.03558	0.5
158.12885	0.2
159.04318	0.2
161.02341	0.2
162.06673	0.5
171.04306	0.2
172.05157	0.6
173.05891	0.4
174.03076	0.4
175.03925	0.9
176.04581	0.3
177.12709	0.2
185.06007	0.2
187.11160	0.3
189.05511	1.9
189.12688	0.5
190.06210	0.7
190.09956	0.2
191.07051	1.0
191.10713	1.1
194.92661	0.7
194.95415	0.4
200.08325	0.2
203.07069	0.4
203.10576	0.3
204.11414	0.1
205.12332	1.4
212.93854	0.2
213.09200	0.2
215.10756	1.3
217.08719	0.3
218.09447	1.3
219.10109	0.2
231.10269	0.4
233.02164	0.9
233.11803	100.0
234.12152	5.1
234.14493	0.4
237.68063	0.2
247.09834	0.2
249.11436	0.2
259.09747	2.6
276.93384	0.2
277.10873	5.8
277.14148	0.5
277.17999	0.1
277.21786	0.3
278.11237	0.3
294.35028	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	277.1445
Annotation	alpha-CEHC
Peak:m/z	Relative Intensity
53.74714	0.5
57.03308	1.5
58.79276	0.2
59.01234	1.5
63.43009	1.1
63.43361	0.6
65.53383	0.3
67.33472	0.2
71.04854	0.3
78.95758	0.6
85.02822	0.3
85.06446	3.7
92.02545	1.4
93.03334	0.7
95.01259	0.4
97.06443	0.3
106.04102	5.2
107.04903	3.0
108.01994	0.5
119.04887	5.6
121.02818	7.1
133.06451	1.2
135.08029	0.8
137.02310	0.4
145.06436	0.4
147.08035	0.9
150.01007	0.3
152.91675	2.0
161.09654	0.4
167.90379	0.5
194.92648	2.3
194.95442	0.7
198.85884	0.5
199.80278	0.3
205.12280	1.5
205.15871	0.7
209.41589	0.3
212.93762	0.7
215.14198	0.5
217.12129	1.4
219.37325	0.3
231.13846	0.4
233.15440	100.0
233.24605	0.9
234.15785	5.4
241.09351	0.8
243.20128	0.4
276.93204	0.5
277.14456	62.4
277.21649	1.7
278.14865	3.8
291.93542	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22457	0.3
59.01239	3.1
60.21910	0.3
60.49955	0.3
71.01241	1.1
72.00767	1.6
73.02816	0.4
73.98152	0.6
74.98956	1.6
76.95246	0.4
82.06485	1.7
83.01233	0.7
83.04881	0.5
85.02801	0.7
87.00726	2.8
90.98451	3.1
91.05386	7.9
96.96824	0.8
99.01953	0.4
101.02293	0.5
108.02036	0.6
109.02796	0.5
112.07538	4.4
113.02320	0.6
113.99446	0.7
120.99536	1.2
121.02821	1.4
123.04379	0.9
127.05737	2.8
129.06383	0.7
129.10208	54.3
130.08612	7.8
130.10542	0.9
134.03658	1.0
135.04419	0.8
137.09546	0.4
141.10204	3.4
145.06784	4.1
146.08090	1.9
147.04398	16.7
148.04774	0.4
149.05923	0.7
159.04613	0.6
160.05318	0.4
161.05940	1.1
162.06752	6.8
164.07069	12.0
165.07448	0.5
174.06770	0.8
175.03929	0.6
175.07532	0.5
177.09135	1.1
179.00134	0.7
181.08720	0.5
189.05739	2.7
189.09256	0.6
191.07178	0.4
193.04999	0.8
200.04652	0.7
205.08603	0.4
215.07251	1.0
216.14119	0.5
217.05176	0.9
231.14755	0.4
233.08360	1.0
233.11803	1.1
233.16559	5.2
233.18710	0.6
236.12996	1.0
277.03409	1.1
277.07327	3.0
277.15570	100.0
278.15894	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	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28062	0.4
59.01010	0.5
59.01241	5.5
60.12485	0.4
65.90717	0.4
71.01225	1.9
71.10528	0.4
73.02797	0.6
75.37241	0.6
78.95773	0.6
80.68083	0.4
82.25603	0.5
89.02303	0.9
96.96802	0.7
101.02296	0.6
105.68049	0.5
115.03870	0.5
117.10832	0.5
121.02819	1.1
124.32795	0.5
130.83676	0.5
137.14423	0.5
145.02821	0.6
146.08151	0.7
233.15411	2.2
241.09250	4.2
243.60834	0.6
277.14801	2.1
277.18347	3.0
277.21729	100.0
278.22061	6.6
294.59598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17729	0.4
59.01245	5.8
63.43849	0.4
67.56481	0.4
71.01244	0.9
82.40771	0.4
95.76888	0.4
113.73093	0.4
121.02021	0.4
121.02772	2.0
123.37431	0.4
123.40340	0.5
143.53439	0.4
194.95448	0.7
205.15875	0.8
223.91856	0.4
233.15453	2.2
233.19089	0.9
233.22792	0.5
235.13342	1.1
241.09206	1.3
275.20236	1.0
277.18283	5.3
277.21725	100.0
278.19009	0.4
278.22046	6.7
280.91766	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	5.3
65.83868	0.5
71.01216	0.8
78.95734	0.7
79.95593	0.6
91.72764	0.7
101.02377	0.5
101.23607	0.5
107.19759	0.5
109.02737	0.5
121.02813	1.1
152.86621	0.6
183.89809	0.5
194.92682	0.6
194.95470	0.8
196.85403	0.7
205.15939	0.9
233.15422	2.1
235.71375	0.6
241.09235	0.7
259.20642	0.7
277.18332	3.8
277.21716	100.0
278.19150	0.9
278.22061	8.1
296.44443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01222	1.9
65.45293	0.4
141.42618	0.5
176.27396	0.4
184.83411	0.4
233.22575	0.6
259.20605	0.5
261.25296	0.5
275.20154	0.4
277.21732	100.0
278.22012	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	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01229	1.7
74.79870	0.6
108.28983	0.8
115.74643	0.6
137.82594	0.7
138.14574	0.7
147.11696	0.9
150.96136	0.8
226.98509	0.7
233.22888	0.9
277.21744	100.0
278.21973	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	277.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17417	0.3
59.01237	2.7
59.76619	0.3
65.94244	0.3
71.01250	0.7
72.36609	0.3
85.10190	0.3
93.19946	0.4
93.79122	0.3
121.02815	0.5
127.07540	0.3
144.35020	0.3
202.08224	0.3
229.28874	0.4
233.22641	0.7
240.35539	0.4
259.20636	0.4
277.21729	100.0
277.33875	0.8
278.22070	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	277.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00969	0.6
59.01243	8.6
60.63266	0.3
96.95856	0.5
98.92696	0.3
121.02834	0.5
124.17818	0.4
152.01012	0.4
161.69812	0.4
166.31700	0.4
179.42326	0.4
196.89905	0.4
205.12260	1.1
233.11900	0.5
233.22762	1.2
259.20624	0.8
277.09985	0.9
277.21735	100.0
278.22049	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	278.067
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
51.88993	0.3
59.01242	2.1
71.01238	4.0
72.00767	0.4
88.03897	28.5
89.04187	0.4
93.03288	0.5
98.02322	0.6
101.02333	0.6
104.03413	0.5
114.01822	3.4
115.00238	10.0
116.07037	1.3
117.03329	0.7
119.04897	11.0
120.99545	0.8
131.99089	1.1
132.02904	100.0
132.07277	0.9
133.03235	0.9
145.02850	2.7
162.05493	0.6
163.03899	2.9
188.06973	0.5
205.12372	0.5
233.02574	0.4
234.07680	1.2
277.12735	0.6
278.06757	6.8
278.13220	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1761
Annotation	Alopecuridine
Peak:m/z	Relative Intensity
55.01202	0.5
55.63742	0.5
57.74826	0.5
57.96507	0.5
59.01234	3.2
61.41352	0.5
61.98672	0.9
71.01238	0.8
71.02523	0.5
75.00759	0.6
80.04482	0.6
83.04884	0.8
84.04404	56.7
84.06396	1.1
85.04718	0.8
88.51855	0.5
115.55061	0.6
116.07030	0.8
149.13235	1.7
193.12273	16.8
194.12599	0.7
195.93221	1.1
249.40332	0.6
269.43396	0.6
277.21716	0.7
278.17618	100.0
279.18002	7.6
279.23126	0.9
288.80478	0.6
297.67670	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	0.8
61.79594	0.2
62.96428	0.2
65.03820	0.7
68.99673	4.8
71.01231	0.5
91.05387	4.3
91.73361	0.3
93.03299	0.4
96.95867	0.8
101.03844	0.7
102.04635	0.7
103.05402	4.2
105.03352	0.5
105.31382	0.3
107.01254	0.7
108.02039	0.5
109.02828	1.2
110.91812	0.3
117.03320	0.3
119.04891	16.3
120.05240	0.6
121.02834	0.3
122.75717	0.3
129.03362	1.2
130.04140	0.4
132.02078	0.6
132.05692	0.5
135.00809	0.4
135.04382	0.4
137.05995	0.4
145.02837	1.9
146.03622	1.1
146.99635	1.0
147.04402	100.0
147.07904	2.3
148.04755	3.6
151.28539	0.3
153.01845	0.5
161.02368	0.7
163.03909	13.8
164.04347	0.4
170.92343	0.2
173.02341	0.5
176.01086	1.0
178.99777	11.9
180.00119	0.5
189.01872	0.4
190.96468	0.7
191.03421	67.1
192.03752	2.2
217.01384	1.5
217.04976	0.7
235.02437	4.1
235.06116	0.6
236.02890	0.4
261.00244	0.8
279.01471	48.9
280.01785	2.7
297.68613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77790	0.5
53.40541	0.6
54.54977	0.6
59.01237	1.0
59.52243	0.5
59.59487	0.5
63.93597	0.6
71.01231	0.6
72.00242	4.2
72.97387	5.0
73.98196	0.6
87.00737	20.7
90.96015	1.5
90.98451	100.0
94.22765	0.6
99.08017	1.1
100.63115	0.6
101.46994	0.8
106.00585	0.6
107.72286	0.6
117.00030	2.0
129.07314	69.6
130.07645	1.4
131.51201	0.7
135.01109	6.4
145.06810	3.6
147.08382	75.0
148.08725	2.2
160.99075	1.4
161.82794	0.8
173.06331	14.1
175.99565	0.7
179.00116	33.9
183.96170	0.7
191.07396	23.1
201.24486	0.7
217.08981	18.4
218.09309	1.1
235.10069	10.2
258.36163	0.6
261.08047	10.2
264.59265	0.7
277.08746	0.8
279.09122	23.5
279.12262	2.0
280.09464	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83424	0.5
60.97420	0.7
72.00246	6.4
72.97389	4.7
73.01016	0.9
87.00732	25.2
88.01025	0.6
90.98447	100.0
91.00758	1.5
95.44287	0.6
97.02819	0.8
99.08022	1.2
101.47009	0.8
105.46024	0.6
109.02839	0.6
109.06482	1.1
117.00028	3.0
122.03626	1.6
124.05168	2.0
125.09573	2.1
129.07309	94.1
130.07639	2.5
135.01094	9.0
137.05952	1.2
139.07538	10.5
145.06796	4.7
147.08372	88.2
148.08743	3.3
152.04562	0.9
160.99055	1.4
168.07826	2.9
168.72200	0.7
169.08611	2.9
173.06322	21.6
174.06805	0.9
179.00110	33.5
187.11171	1.8
191.07401	23.4
191.09161	1.2
192.07848	0.9
205.12268	3.0
217.08997	31.2
217.12329	1.4
218.09254	1.3
235.10052	15.2
261.08011	11.1
279.09082	25.3
279.12103	1.6
280.09332	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	279.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85236	0.9
55.01755	1.1
57.03316	14.0
57.85354	0.7
59.01231	0.9
69.03312	6.4
77.65877	0.5
79.05415	0.7
80.02533	5.0
81.03323	6.7
82.03213	0.6
82.07616	0.7
83.04881	2.6
85.02775	0.9
85.06451	0.8
93.03320	7.7
95.04263	1.1
95.04881	21.6
96.95871	0.7
97.02795	3.7
97.06438	1.9
99.04333	0.8
99.08015	34.0
100.08360	0.8
101.05930	6.1
105.06954	1.5
106.04108	2.1
107.04890	22.8
108.01324	1.1
108.02031	15.3
109.02847	5.0
109.06467	4.8
110.03635	0.7
111.04398	3.0
113.05946	3.6
121.02795	5.8
121.06461	6.7
122.03600	6.7
123.04390	20.9
123.08022	27.7
125.09633	1.6
131.04938	0.7
132.05687	1.2
133.06468	25.7
134.03592	0.9
135.04396	30.9
135.08017	1.3
136.05214	6.6
137.09615	3.2
139.07507	0.8
140.00137	0.7
145.02802	0.8
148.05214	1.0
149.05931	1.6
149.09607	1.5
150.06743	16.7
151.07536	100.0
151.12370	1.4
152.07877	3.0
159.04395	3.3
160.05182	4.1
161.06024	1.2
163.07500	0.9
164.08438	1.1
165.09148	1.0
171.11826	0.7
174.03157	1.1
174.05363	1.2
174.06743	7.8
175.11209	1.9
176.07924	0.7
177.09131	2.2
178.06281	0.9
189.12785	2.4
191.10696	74.2
192.11060	2.9
193.08713	0.7
193.12257	4.1
199.11191	2.3
202.09923	1.3
205.12256	1.2
207.13820	1.7
217.08905	1.3
217.12302	53.1
218.12622	2.9
220.10980	4.7
231.10275	1.2
235.13362	64.7
236.13689	3.3
261.11328	5.1
279.12402	23.6
279.15643	1.4
280.12744	1.4
294.04340	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	9.5
59.01228	0.8
67.01743	0.5
68.12451	0.7
69.21177	0.6
72.47285	0.6
73.02794	1.7
79.05376	1.3
80.90673	0.5
81.03329	1.3
83.01250	1.4
83.04872	4.2
87.86791	0.6
93.03300	1.2
95.04897	1.6
96.95861	0.7
97.06445	2.3
99.08009	3.3
101.02303	100.0
101.05916	1.0
102.02666	0.7
107.04878	2.2
109.02817	2.0
109.06434	2.3
111.04379	19.2
111.08003	0.7
113.02294	5.9
119.08533	1.2
121.02829	4.1
121.06442	1.0
121.10090	0.9
121.83863	0.5
122.03616	6.4
123.04397	1.4
123.08024	18.6
124.08369	0.9
125.05972	1.2
127.57431	0.6
133.06471	2.6
135.04402	2.3
136.05199	0.6
137.05988	0.8
137.09583	3.6
139.03828	0.9
149.09729	0.6
150.03134	0.8
151.03955	0.9
151.07542	5.5
151.11203	1.1
160.05168	0.8
165.09109	81.7
166.09456	2.4
168.57216	0.6
174.03122	1.6
179.10677	4.4
189.12764	0.7
191.10712	0.7
191.14320	1.1
193.08640	1.7
195.06616	0.6
205.12270	0.7
207.10472	0.8
207.13846	6.3
217.12265	5.4
217.98950	0.6
231.10237	3.1
235.13362	7.2
237.11456	0.7
261.11417	1.6
279.12402	41.7
280.12665	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	279.1238
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
51.80619	0.6
54.00104	0.6
55.01751	1.4
57.03316	7.5
59.01253	2.6
63.55939	0.7
69.03331	2.5
71.01260	2.0
71.04880	7.2
72.97428	1.0
72.99167	1.0
73.02805	1.4
79.05404	0.9
81.03341	3.5
83.04890	5.7
85.02822	3.3
85.06469	2.4
87.00730	3.8
87.04379	6.3
89.72515	0.7
90.98446	14.4
93.07017	1.1
95.04909	2.9
97.02818	6.6
97.06433	4.4
98.03592	9.1
99.04380	22.1
99.04980	1.4
99.08045	1.1
105.15728	0.8
107.04909	2.8
108.02061	1.5
109.02817	4.8
109.06458	7.6
111.04412	3.4
111.08021	5.8
113.02274	1.0
113.05939	3.9
119.08553	2.4
120.05693	1.4
121.06460	5.1
122.03607	14.8
123.04416	2.8
123.07988	4.2
124.05170	12.4
125.02311	1.6
125.05994	4.7
125.09595	93.6
126.03113	1.4
126.09973	2.6
127.03918	1.9
127.07544	2.6
129.07304	10.7
133.06493	1.0
134.03568	0.9
135.04431	1.6
135.08028	4.3
136.05226	3.9
137.05969	9.8
137.09648	2.5
138.03183	0.8
139.07529	68.1
140.07858	1.8
141.09096	20.9
142.09499	1.1
145.10136	0.9
147.08253	14.9
148.05252	1.8
148.08662	1.0
149.06027	3.0
151.03951	1.9
151.07564	1.9
152.04683	17.2
153.05470	3.5
154.06290	2.2
155.07025	8.5
161.05937	1.2
161.09602	1.4
162.06807	2.1
163.07588	3.5
163.11218	2.1
165.05527	1.9
165.09117	4.9
166.06310	2.8
167.07031	18.4
168.07822	32.1
169.08612	100.0
170.09000	3.3
171.08124	1.9
173.06306	3.3
175.11237	2.5
177.09210	1.8
177.12769	2.0
179.00127	5.3
179.07130	1.1
180.08011	1.1
181.93927	0.8
184.08882	1.2
187.07600	2.1
187.11226	13.2
189.09251	1.1
189.12833	3.4
190.10027	2.0
191.07417	3.5
191.10724	1.2
191.14441	2.2
199.11267	2.9
201.09250	3.4
202.09975	5.2
205.12283	22.1
206.12762	0.9
207.13936	1.1
217.09039	2.9
217.12274	12.7
218.12613	1.0
219.10199	4.5
220.11087	1.6
235.09924	2.0
235.13377	11.8
239.87279	0.8
249.11295	2.0
261.08203	1.4
261.11237	1.4
279.09204	3.1
279.12494	9.8
279.14859	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99817	0.6
57.03319	9.7
58.15609	0.5
59.01226	1.6
60.15841	0.5
67.24407	0.5
69.03304	0.8
71.01237	0.7
72.99148	0.6
81.03300	0.7
83.04382	1.0
83.04877	15.4
85.02748	0.6
90.98490	0.6
91.01783	0.7
93.03307	1.7
95.04890	3.4
97.06439	1.5
106.06483	2.8
107.04887	7.5
107.08500	0.7
109.02840	0.7
109.06441	2.3
111.04362	0.8
119.04878	4.8
120.05669	1.1
121.06485	0.7
123.04364	1.1
129.01799	0.8
133.06461	2.4
135.04353	1.9
135.08046	11.7
136.08369	0.5
137.02299	0.7
137.06036	0.6
144.05688	4.7
146.09590	2.8
148.11227	1.0
149.05934	0.9
149.09639	0.7
150.05524	0.6
151.03979	0.8
151.07535	2.7
159.04341	1.0
159.08060	12.4
160.08362	0.6
161.05948	1.8
162.06747	2.4
163.07416	0.7
167.07016	0.7
173.09662	0.7
174.09221	1.1
175.03920	0.9
177.03137	1.3
177.09120	100.0
178.09477	3.6
191.10768	1.0
192.10205	1.6
217.12228	3.6
218.08189	4.5
221.08195	1.1
235.09805	1.5
235.13382	1.4
261.11365	1.5
262.07242	3.2
278.93588	0.6
279.05112	2.0
279.09225	1.2
279.12326	9.6
279.23303	1.6
280.05539	0.9
280.08298	3.9
297.01096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10161	0.5
52.74817	1.0
57.03315	4.8
59.01236	0.9
65.03820	1.0
67.01749	25.6
67.84301	0.6
71.01244	0.8
71.04877	1.0
79.05373	1.5
79.95610	0.7
81.03323	0.8
83.04887	1.7
89.42573	0.7
91.12837	0.8
93.03319	5.0
95.04865	1.0
96.95893	1.6
97.06423	1.0
99.07372	1.3
99.08013	21.2
101.05940	0.7
105.03341	1.0
105.06957	1.3
106.04113	3.9
107.04898	8.3
108.01999	1.5
111.08011	1.1
113.05939	0.9
119.04881	5.0
121.02837	4.8
121.06458	13.5
123.04400	2.5
123.07990	1.8
125.02284	1.3
125.09602	6.6
130.04115	19.6
132.05676	3.3
133.06468	18.7
135.04390	2.4
135.08044	1.3
144.05707	2.0
145.02802	1.0
147.04413	2.9
149.09555	1.1
151.03854	0.7
151.07472	0.8
152.01028	2.0
159.04381	1.3
160.05171	3.3
161.09520	0.9
163.07582	1.0
163.11166	3.0
167.03363	2.0
173.09615	13.2
174.06747	1.8
175.11194	35.0
176.11565	1.1
177.09117	1.1
187.11203	22.0
188.11551	1.0
189.09122	6.1
189.12762	2.8
191.10641	1.2
202.09882	1.1
203.10712	1.3
205.12279	100.0
206.12637	4.5
217.12286	42.3
218.12666	1.9
233.11798	10.6
235.09711	2.7
235.13362	13.1
236.13774	0.9
249.11288	7.2
261.11215	1.4
279.12442	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	279.1237
Annotation	Epilaccishellolic acid
Peak:m/z	Relative Intensity
52.30915	0.7
52.85774	0.8
53.99809	0.7
57.03077	1.1
57.03319	13.7
59.45714	0.8
71.04863	2.0
79.05380	2.7
80.46134	0.8
83.04874	3.7
83.07032	0.8
85.06447	17.6
91.05373	1.2
97.02803	8.4
97.06436	4.1
99.08012	100.0
100.08348	1.6
105.06956	1.7
107.08540	5.2
111.04477	0.9
113.09590	11.2
125.68255	0.8
131.04884	1.4
133.06488	5.2
134.07301	1.3
135.07986	1.6
137.09630	1.6
149.09625	0.9
161.09738	0.8
162.10417	3.1
163.11192	1.4
173.13339	0.9
189.12767	18.7
190.13124	0.9
191.14340	82.0
192.14659	3.2
209.15347	0.8
220.71416	0.9
233.11742	3.7
235.13370	72.9
236.13707	3.5
279.12482	6.6
301.58911	0.9
303.39102	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1237
Annotation	Epilaccishellolic acid
Peak:m/z	Relative Intensity
55.01748	0.5
55.59136	0.4
56.46401	0.4
57.03317	13.7
59.01231	0.7
65.03802	0.8
66.59710	0.4
69.03302	1.6
71.01212	1.3
71.04861	0.5
71.63463	0.3
79.05389	0.4
81.03294	1.4
83.04871	4.1
83.39373	0.4
85.02811	3.0
85.06453	0.4
93.03279	1.3
95.04885	8.9
96.95898	1.7
97.06451	3.6
99.04324	0.4
99.05363	0.4
99.08014	29.0
100.08333	0.6
101.05939	7.6
103.22114	0.3
105.06973	0.5
106.04146	0.4
107.04894	4.1
107.08521	0.5
108.02028	1.7
109.02780	1.1
109.06449	0.7
111.04361	0.5
111.08016	0.8
121.02791	1.1
121.06487	2.1
122.03638	2.7
123.00723	0.5
123.04391	29.9
123.08026	12.0
124.04707	0.6
125.05936	0.7
125.09606	4.4
127.07500	0.6
131.04909	0.5
133.06471	9.0
135.04401	13.4
136.05185	2.2
137.02373	0.4
137.05940	1.4
137.09567	1.4
139.07501	0.8
145.02829	0.5
147.07974	0.4
149.05962	1.8
149.09621	4.3
150.03072	0.8
150.06813	0.8
151.07539	24.2
151.11125	0.5
152.07877	0.9
159.04390	1.1
160.05162	1.6
161.05928	0.5
165.05431	0.4
165.09100	0.8
165.12766	0.5
173.05911	0.7
174.03145	0.7
174.06767	4.3
175.07370	0.5
175.11255	0.6
177.05493	1.9
178.06261	1.5
179.10690	1.5
179.14320	3.9
189.12781	2.9
191.06779	0.4
191.10660	0.6
191.14304	4.1
192.03972	0.5
192.07741	0.5
193.08769	0.5
193.12296	2.1
199.11276	0.4
200.67535	0.4
202.09915	0.7
205.12230	1.1
207.10210	1.3
207.13849	18.9
208.14143	1.0
217.12294	17.3
218.12674	0.8
220.11002	1.3
221.43442	0.4
222.90773	0.4
231.10242	1.2
233.11781	0.8
235.13367	100.0
236.13699	5.6
261.11258	0.8
279.12424	6.4
279.15656	0.7
279.23206	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21165	1.4
51.42296	1.3
57.03327	1.8
59.01236	6.4
66.48049	1.4
74.49783	1.5
75.00728	1.9
88.14673	1.4
97.06503	2.0
99.08015	4.1
99.51105	1.5
100.72068	1.6
105.07063	1.6
106.04139	2.1
107.04901	1.8
111.98534	1.4
114.90195	1.8
119.04957	1.8
121.02827	3.7
123.04400	1.7
127.07552	1.8
136.75484	1.6
138.80377	1.8
139.03906	1.9
139.07487	2.2
174.03108	3.4
189.12785	3.5
191.14360	7.5
194.37848	1.7
205.12230	2.0
217.12222	9.1
219.10223	2.1
231.10248	6.4
235.13362	100.0
236.13766	6.6
249.11327	1.9
261.11322	10.5
279.12396	98.6
279.23285	4.2
280.12753	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	279.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10161	0.5
52.74817	1.0
57.03315	4.8
59.01236	0.9
65.03820	1.0
67.01749	25.6
67.84301	0.6
71.01244	0.8
71.04877	1.0
79.05373	1.5
79.95610	0.7
81.03323	0.8
83.04887	1.7
89.42573	0.7
91.12837	0.8
93.03319	5.0
95.04865	1.0
96.95893	1.6
97.06423	1.0
99.07372	1.3
99.08013	21.2
101.05940	0.7
105.03341	1.0
105.06957	1.3
106.04113	3.9
107.04898	8.3
108.01999	1.5
111.08011	1.1
113.05939	0.9
119.04881	5.0
121.02837	4.8
121.06458	13.5
123.04400	2.5
123.07990	1.8
125.02284	1.3
125.09602	6.6
130.04115	19.6
132.05676	3.3
133.06468	18.7
135.04390	2.4
135.08044	1.3
144.05707	2.0
145.02802	1.0
147.04413	2.9
149.09555	1.1
151.03854	0.7
151.07472	0.8
152.01028	2.0
159.04381	1.3
160.05171	3.3
161.09520	0.9
163.07582	1.0
163.11166	3.0
167.03363	2.0
173.09615	13.2
174.06747	1.8
175.11194	35.0
176.11565	1.1
177.09117	1.1
187.11203	22.0
188.11551	1.0
189.09122	6.1
189.12762	2.8
191.10641	1.2
202.09882	1.1
203.10712	1.3
205.12279	100.0
206.12637	4.5
217.12286	42.3
218.12666	1.9
233.11798	10.6
235.09711	2.7
235.13362	13.1
236.13774	0.9
249.11288	7.2
261.11215	1.4
279.12442	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	279.1238
Annotation	Epilaccishellolic acid
Peak:m/z	Relative Intensity
55.01749	1.0
56.46426	1.2
57.03319	21.9
57.85600	0.7
59.01231	3.5
69.03302	2.2
71.01237	1.1
71.04856	1.5
72.01333	0.7
75.86591	0.7
79.05391	1.4
81.03297	1.7
81.52612	0.8
83.04861	3.5
85.02816	0.9
91.72746	1.0
93.03316	6.7
95.01220	4.0
95.04879	7.7
96.02030	8.7
96.95874	1.3
97.02814	2.8
97.06449	17.1
98.03621	0.9
99.08015	69.8
100.08352	2.0
101.05943	1.4
105.50375	0.9
105.83388	0.9
107.04883	10.5
108.02071	1.1
109.02826	2.7
109.06472	4.7
111.04356	1.5
111.08020	8.3
113.02282	1.3
119.04929	2.0
121.02811	1.8
121.06434	1.6
122.03576	1.5
123.04379	19.7
123.08057	2.1
125.09594	5.7
127.07528	2.1
129.05424	1.6
131.04857	2.0
133.06464	10.5
135.04398	77.7
135.07939	4.2
136.05141	1.8
137.05963	3.8
138.06775	2.4
139.07536	1.9
141.09106	5.2
141.88531	0.8
144.05675	2.4
146.03604	0.8
149.06004	1.4
151.07555	19.0
153.09113	15.1
154.09418	0.9
155.07039	10.7
159.04430	2.3
160.05222	6.5
161.05983	7.3
163.07532	1.3
164.08194	0.8
167.06982	1.1
173.06030	1.7
175.07507	0.9
175.11148	2.5
177.09128	1.6
179.10655	1.4
188.92326	0.8
191.10727	1.7
191.14352	12.2
192.14658	1.0
193.12288	20.3
194.89125	0.8
199.11211	1.3
205.12411	1.3
215.10730	1.0
217.12294	100.0
217.20721	1.5
218.12665	6.7
231.10207	1.6
235.13370	83.3
236.13722	3.3
261.11295	2.7
268.77786	1.0
279.12421	14.4
279.23419	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	279.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02028	0.5
54.59872	0.4
57.29319	0.4
58.43173	0.3
58.53904	0.4
63.65066	0.5
63.65338	0.4
63.72733	0.3
63.93679	1.2
64.22699	0.5
75.94725	0.3
92.02522	1.1
106.04088	6.5
107.04880	0.8
119.04880	2.1
121.02827	5.4
124.81950	0.4
137.02303	0.6
192.18620	0.5
203.14429	0.8
205.15910	7.3
217.15913	3.4
221.11830	0.7
231.13899	1.6
233.15436	57.5
233.25674	0.7
234.15785	3.2
235.17001	100.0
236.17291	6.5
243.11143	0.4
246.69124	0.5
279.16013	97.7
280.16379	6.8
281.82147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.8
57.95006	0.8
59.01250	7.0
63.93719	1.9
63.94009	0.8
64.69532	0.8
68.39463	0.8
71.04871	3.1
80.93700	0.8
81.03298	1.4
83.04886	1.4
95.04875	2.6
95.25627	0.7
97.02800	4.4
97.06437	6.2
106.04105	3.7
107.04919	1.7
119.04916	1.2
121.02839	2.8
129.16431	1.0
133.06462	1.1
135.07980	2.2
137.09607	2.7
139.07556	2.6
149.05846	0.9
149.09599	1.4
151.07524	0.9
161.63800	0.8
163.07516	1.4
163.11183	13.1
181.08626	1.6
181.12215	1.6
189.12856	1.1
191.10716	7.9
197.08095	1.2
217.15941	16.7
233.15431	24.1
235.17006	90.0
236.17331	3.7
261.14972	3.8
279.16022	100.0
280.16422	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	279.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71933	0.4
59.01027	0.4
59.01242	4.8
71.01241	0.6
76.27367	0.5
80.79380	0.4
122.93959	0.5
136.76367	0.5
217.49142	0.6
241.09406	0.7
261.22379	1.3
279.23297	100.0
280.23682	6.5
293.46201	0.5
302.14401	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60733	0.3
54.74340	0.4
59.01243	0.5
64.77754	0.3
72.36131	0.3
77.25626	0.3
79.65913	0.3
97.40582	0.3
183.38266	0.4
261.22134	0.3
261.86136	0.4
279.23297	100.0
280.23654	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	280.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62847	0.6
55.96424	0.8
59.01240	6.0
69.22480	0.8
70.02825	3.0
71.01238	5.8
72.00768	12.9
82.02844	2.9
83.04847	1.2
85.01591	1.8
85.02810	0.8
88.03902	1.5
91.05389	10.4
96.00775	5.8
99.00742	4.5
100.46216	1.0
106.06478	1.8
109.01557	84.4
110.01877	1.0
113.05947	2.7
114.01815	4.4
115.00217	2.0
118.06480	14.2
127.02657	1.4
133.01332	1.9
139.07565	1.6
146.09628	2.5
147.04404	36.0
147.08015	2.4
148.07559	2.3
150.39294	0.9
164.07069	100.0
164.88132	1.0
165.07413	3.1
174.09135	6.8
175.07518	2.4
176.07082	24.8
182.98830	0.8
190.08701	1.6
192.10225	1.6
200.07047	5.6
202.04984	1.3
218.08203	7.5
220.06096	3.1
221.06760	1.2
236.09341	1.5
239.64528	0.9
244.06137	75.6
245.06454	3.7
262.07214	24.6
263.07684	1.3
263.12799	1.7
280.08234	6.3
281.13919	3.6
281.17245	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0456
Annotation	Pseudobaptigenin
Peak:m/z	Relative Intensity
53.93700	0.2
54.31528	0.2
55.87325	0.2
57.03301	0.4
59.01243	3.2
60.26738	0.8
63.39196	0.4
63.73327	0.2
65.34903	0.2
66.62337	0.6
66.62646	0.3
69.03307	0.3
71.01223	0.4
71.04855	1.2
73.02789	0.7
78.31251	0.5
81.03310	1.3
82.04106	0.3
83.04889	0.5
93.03312	0.4
95.01237	0.6
95.04893	0.4
96.02016	0.8
97.02817	0.4
99.08022	2.1
101.05932	0.5
107.04871	0.6
109.02805	0.4
109.06454	0.9
112.12950	0.3
113.23100	0.2
117.03259	0.2
121.06429	0.4
123.04391	0.5
125.05869	0.4
125.09577	0.4
133.06447	0.5
135.04378	0.6
135.08043	0.3
136.05193	0.6
137.05925	0.9
138.04332	0.2
140.83636	0.3
141.05411	0.4
144.63596	0.3
149.05988	0.3
152.06171	1.5
153.07054	1.8
153.09090	3.2
161.04424	0.3
163.07512	0.4
165.12817	0.7
175.11171	0.8
179.10651	0.4
180.05722	7.8
181.06477	1.8
191.10698	0.4
193.08662	0.6
193.12270	5.9
195.13869	0.3
195.92484	0.3
197.05959	0.5
205.12335	0.5
208.05243	5.3
208.07210	0.3
209.06021	67.1
209.13618	0.8
210.06363	3.5
212.45990	0.2
215.10706	2.5
219.13821	1.6
221.06503	0.3
225.05600	0.3
229.92235	0.4
233.11786	1.1
237.05502	1.3
237.11212	0.7
237.14894	1.4
245.11841	0.7
253.05054	54.8
254.05444	2.9
280.91022	0.8
281.04559	100.0
281.13971	3.1
281.24866	0.5
282.04904	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	281.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32178	0.2
56.94582	0.2
59.01242	1.2
59.59166	0.3
69.03302	0.2
73.49113	0.2
86.66636	0.2
87.00734	1.1
88.03909	0.4
95.01163	0.2
97.02798	0.3
101.02312	0.3
106.04104	0.3
107.04869	0.3
109.01521	0.2
110.01964	0.2
119.04899	0.6
121.02811	0.9
122.57742	0.2
133.02817	1.4
133.06529	0.2
134.03612	49.0
134.07547	0.6
135.03911	1.4
137.01305	0.4
137.02319	5.1
139.03909	1.5
139.07553	0.5
149.05968	14.3
149.09612	0.9
149.10612	0.2
150.03090	0.6
150.06294	0.8
178.02628	33.4
179.02943	1.4
187.11104	0.2
193.04990	100.0
193.11905	1.4
194.05331	4.7
205.12286	0.2
215.10764	1.0
229.08478	0.2
233.11815	0.6
245.11833	2.0
263.12854	0.3
271.39059	0.2
281.06677	1.5
281.13934	2.6
282.14264	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	281.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94575	0.4
59.01236	1.2
59.59180	0.2
87.00734	2.5
88.03889	0.2
93.03323	0.4
101.02312	0.5
105.01813	0.4
106.04102	0.5
117.03228	0.2
119.04900	0.6
121.02834	1.0
133.02835	1.9
134.03609	59.7
134.07677	0.7
135.03912	1.9
137.02321	5.4
137.03380	0.3
139.03891	1.8
148.05278	0.2
149.05965	16.4
150.03107	0.6
150.06290	0.7
178.02629	39.2
179.02982	1.4
182.73595	0.2
189.05449	0.3
193.04987	100.0
193.11894	1.2
193.67101	0.2
194.05321	4.6
219.10347	0.3
221.06702	0.3
281.06693	1.9
281.14011	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	281.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09637	0.6
51.37397	0.9
56.81438	0.3
59.01244	3.9
59.01536	0.5
59.78076	0.3
60.65285	0.3
69.03275	0.4
71.01217	1.3
79.95586	0.6
81.03297	0.8
81.36218	0.3
93.03303	0.6
93.78473	0.4
99.07999	1.6
101.05916	1.2
106.04116	0.6
107.04912	2.1
109.02795	1.1
117.03320	2.0
119.04881	1.0
121.02808	1.2
128.84799	0.4
134.03593	2.7
135.04382	2.2
136.05191	2.1
137.02319	0.8
139.03979	0.4
149.02277	0.5
149.09503	0.5
153.01819	0.7
161.04440	0.4
161.09651	1.0
163.11192	10.5
173.09567	0.5
174.03123	1.5
175.11189	6.7
178.02615	1.2
179.10649	0.9
189.05484	1.7
189.09079	1.0
191.10696	30.3
192.11063	1.6
193.03183	1.8
193.04955	2.2
193.12267	34.4
194.12608	1.7
201.09137	3.9
205.08566	1.0
207.85753	0.4
216.13904	0.7
219.01038	0.8
219.10222	100.0
220.10544	4.4
221.06668	0.5
231.07645	0.5
237.11212	0.7
281.07166	1.0
281.10324	13.8
281.13623	0.8
281.24890	0.4
282.10736	0.7
303.77432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	3.3
62.62723	0.4
76.67185	0.5
81.03317	52.4
82.03659	1.5
88.03915	0.6
99.08017	0.9
101.02309	0.7
107.04916	0.7
113.09612	0.6
123.08037	1.1
125.05964	4.7
135.04370	0.9
136.05191	3.4
137.09647	3.0
148.23766	0.6
159.31749	0.6
165.12944	0.5
177.74883	0.6
193.12276	100.0
194.12592	5.9
201.05536	4.6
219.13789	0.5
221.06656	1.0
237.11310	5.2
281.10400	2.9
281.13348	0.6
289.17935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65370	1.1
50.65581	0.4
53.36035	1.2
57.03325	2.5
58.62112	0.5
59.00972	0.6
59.01242	9.2
60.99173	4.3
66.84695	0.4
70.44502	0.4
71.01229	0.6
71.04507	0.9
71.04877	12.6
73.02805	0.5
74.14452	0.5
81.03315	4.2
83.04879	0.7
85.02795	0.7
85.06434	1.0
87.00759	0.7
91.25843	0.6
96.95874	1.3
97.06441	1.1
99.08018	15.2
101.02267	0.7
101.05952	1.3
107.04888	2.6
109.02809	0.9
109.06461	0.9
111.08010	2.0
113.09586	27.0
117.03303	2.0
117.73746	0.6
119.04861	0.7
125.05914	0.5
135.04391	2.8
135.07936	0.6
136.05209	2.8
139.07501	1.2
139.11163	1.9
147.11653	0.8
151.11139	0.9
157.08559	1.4
160.08830	0.8
161.04480	0.6
165.09042	0.8
165.12753	3.3
165.85303	0.6
174.55363	0.5
174.56903	0.6
175.11192	39.5
176.11554	2.1
179.10658	0.9
191.14351	0.7
193.12267	46.8
193.15906	8.3
194.12651	2.1
209.11664	0.5
216.50850	0.5
219.10271	1.0
219.13867	3.4
221.06624	0.8
237.05569	1.0
237.11519	7.5
237.14937	100.0
238.15219	4.3
253.05182	0.7
263.12894	0.7
281.04562	2.6
281.10297	25.7
281.13934	8.1
281.24802	1.5
282.10654	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1183
Annotation	3''-Methoxynyasol
Peak:m/z	Relative Intensity
59.00106	0.5
59.00988	2.6
59.01319	19.2
66.39722	0.3
68.36245	1.5
71.01305	1.0
73.02853	0.4
77.76355	0.4
81.03359	0.4
85.02882	0.7
87.00793	0.8
88.04004	3.1
89.02397	0.6
93.03317	7.3
94.03731	0.4
96.72104	0.4
101.02408	1.9
106.04212	1.4
107.04989	0.7
108.02106	0.6
109.02797	2.6
113.02388	0.6
115.05402	2.9
117.03438	1.2
119.04890	16.7
120.05302	0.9
121.02823	2.6
122.03721	0.7
123.04447	0.5
130.04271	0.4
131.05005	1.8
132.05754	0.5
133.02956	1.0
134.03654	0.8
135.04495	1.0
137.02411	0.7
143.04906	2.4
145.02847	5.0
145.06448	2.7
146.03622	0.9
147.04494	1.5
156.05765	0.7
157.06509	0.8
158.03731	0.5
159.04407	19.3
160.04929	0.9
161.04483	1.9
171.04489	1.1
172.05286	1.4
173.05980	3.5
186.26773	0.5
192.11021	0.5
193.07132	1.9
193.12349	0.9
195.08080	0.9
204.90451	0.4
219.08240	0.4
219.13908	1.7
219.17580	1.8
221.06628	2.5
234.15787	0.6
235.16339	0.9
236.17325	3.3
237.09279	1.7
237.17516	2.6
238.06393	0.8
239.07127	0.9
247.07629	1.1
248.08298	0.9
249.09195	7.6
250.06377	0.4
251.07112	2.5
263.12875	0.8
263.16519	1.6
264.08023	0.6
265.08701	33.0
266.09485	80.5
267.09845	5.1
280.16296	3.5
280.99445	1.0
281.11813	100.0
281.16916	3.8
281.25146	1.3
282.12152	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	281.1183
Annotation	3''-Methoxynyasol
Peak:m/z	Relative Intensity
51.80426	0.3
53.87357	0.2
59.01239	4.6
59.04972	0.2
68.23112	0.3
68.36244	0.5
71.01264	0.3
72.27892	0.2
87.00785	0.3
88.03943	0.9
88.22279	0.2
93.03316	6.1
101.02351	0.4
102.63395	0.2
106.04163	0.9
107.04935	0.6
108.02090	0.8
109.02815	2.0
115.05405	2.0
116.05516	0.2
117.03291	1.2
119.04892	15.7
120.38598	0.2
121.02807	1.5
122.03677	0.6
126.09654	0.3
130.04095	0.2
131.04927	1.0
132.05716	0.3
133.02882	0.7
133.06464	1.7
133.07289	0.2
134.03653	1.2
135.04402	2.8
143.04904	2.4
145.02841	3.8
145.06480	2.5
146.03639	1.3
147.04407	1.2
149.05940	0.4
156.05734	0.6
157.05257	0.2
157.06554	0.9
158.03653	0.5
159.04414	18.7
160.05013	0.7
161.04539	0.5
161.05890	0.3
171.04417	1.1
172.05225	0.9
172.43559	0.2
173.05995	2.1
213.05493	0.2
221.06639	0.6
222.06662	0.3
223.07671	0.5
234.06953	0.3
237.05612	0.4
237.09077	1.1
238.06290	0.7
239.07137	0.5
247.07619	1.3
248.08313	0.6
249.09215	7.0
250.06509	0.5
250.09564	0.4
251.07083	1.3
264.07886	0.5
265.08704	25.4
266.09485	40.9
267.09866	2.4
281.11832	100.0
281.24814	1.1
282.12186	7.6
284.31015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.2
56.17915	1.2
56.66106	1.1
57.03314	10.2
59.01240	18.7
59.84657	1.0
65.03821	3.0
69.03297	1.4
71.01257	1.6
73.51511	1.1
83.04881	13.6
83.08455	1.4
85.02825	2.3
87.00730	17.4
88.03917	4.3
89.02311	1.7
91.73395	2.9
93.03298	2.5
93.41560	1.3
95.04912	3.1
101.02318	3.7
101.05968	1.2
104.55395	1.2
111.04401	5.2
111.08035	4.0
111.78165	1.3
119.08541	1.7
121.06474	8.5
122.03690	1.4
123.08022	29.7
124.05182	1.9
134.03624	19.7
135.08035	1.8
137.02307	2.3
137.05988	1.5
137.09613	3.6
139.07523	5.6
145.10143	3.8
149.05992	5.8
149.09634	2.2
149.38657	1.2
151.07547	3.7
153.09099	4.0
169.08739	2.3
169.10153	3.7
171.11699	36.5
172.12148	2.5
178.02643	10.6
189.12758	11.8
193.04988	28.7
201.12779	12.2
207.13855	8.9
215.10724	3.0
219.13902	6.7
221.06647	3.9
237.14929	45.5
263.12943	1.6
281.13959	100.0
282.14352	4.0
292.53290	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.3
57.03304	1.4
59.01240	9.9
68.96203	0.9
69.03324	1.8
71.01241	4.3
71.04884	8.3
72.92890	0.9
73.02810	3.3
81.03336	1.8
83.04865	5.6
84.02718	1.0
85.06434	1.4
85.67111	0.8
87.00725	1.8
87.04371	3.4
88.03904	1.9
90.56869	0.9
93.03284	1.3
95.04888	5.9
97.02823	4.2
97.06441	2.9
98.03594	9.3
99.04374	11.5
101.05939	2.0
102.05515	1.4
109.02821	5.3
109.06480	1.2
111.03635	2.1
111.04381	35.2
113.05959	0.9
120.05685	3.0
121.06475	2.3
123.07989	5.8
125.06003	1.3
125.09592	54.3
126.09921	1.3
127.03870	1.4
131.17464	1.1
135.08037	11.7
137.06013	1.5
137.09590	4.0
139.07536	2.4
139.11192	2.6
141.09096	18.6
147.08041	1.7
147.11690	1.5
149.06018	2.6
149.09601	2.7
151.07582	4.5
153.09125	2.1
154.06207	1.2
157.28372	1.1
161.09695	1.0
161.13303	1.9
165.09113	4.7
169.08607	44.4
170.08932	1.9
171.11731	2.0
175.07574	1.3
179.10663	1.4
186.10416	3.6
188.54254	1.0
189.12793	6.0
193.04997	2.4
193.12227	1.0
201.12872	6.7
203.10533	1.1
207.13826	2.1
209.08302	1.4
219.13843	9.4
237.14996	8.6
281.13953	100.0
282.14389	4.8
293.78183	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00095	1.9
54.05554	1.9
57.03318	7.3
58.00462	13.0
58.99991	2.5
59.01244	100.0
69.03322	3.6
71.01244	7.6
72.99173	4.1
73.02812	3.7
77.62375	2.6
81.03297	4.1
83.04895	7.6
85.02798	18.9
85.06465	3.5
87.00742	9.5
87.04385	6.0
87.04887	2.2
88.03896	20.2
89.02298	4.4
92.49971	2.4
93.03313	5.2
95.04874	13.8
97.02811	13.0
97.06455	3.6
99.08060	3.5
101.02322	12.8
103.45142	2.4
107.04932	4.7
108.02075	7.0
109.02783	3.1
109.06454	4.8
111.04388	19.2
111.08042	9.3
113.05949	72.4
113.06729	4.9
121.06469	7.2
122.03634	4.0
123.04419	8.1
123.08041	16.3
124.05183	7.2
125.09615	7.2
133.06445	3.7
135.04417	3.0
135.08098	3.1
137.07016	3.1
137.09668	4.3
139.07532	69.7
139.08618	4.3
140.00896	2.5
141.05550	3.2
141.09094	4.8
149.09633	7.5
151.07582	10.5
161.04446	8.0
161.05904	5.1
163.07573	2.7
165.09135	3.6
165.48500	3.5
167.07172	2.9
169.08516	6.8
171.11700	7.4
175.11320	3.4
179.07114	9.9
181.08643	4.4
183.06548	2.9
189.12776	7.2
193.07227	6.7
193.12318	8.7
201.05652	2.6
201.12843	7.3
207.13879	3.4
217.12401	7.6
219.13910	9.0
221.02675	2.5
221.06657	17.0
235.13399	4.7
237.12784	2.9
237.14944	11.6
245.11809	25.5
263.12888	44.0
264.13159	3.7
281.10660	5.9
281.13937	72.5
281.24911	7.4
282.14206	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	281.1396
Annotation	Lactarolide B
Peak:m/z	Relative Intensity
50.67820	0.5
55.01736	0.3
55.14845	0.4
57.03316	2.9
57.36996	0.4
58.00457	0.5
59.01244	10.6
60.26744	1.0
66.62333	0.8
66.62643	0.4
69.03316	2.1
71.01241	1.8
71.04879	18.2
72.05202	0.4
72.99160	0.5
73.02812	3.1
77.76604	0.3
81.03320	2.5
83.04874	3.2
85.02818	1.9
93.03311	1.1
95.01251	4.1
95.04884	2.6
96.02034	8.2
96.95869	0.5
97.02797	1.3
97.06444	1.2
98.03603	0.7
99.08019	11.6
101.05949	0.6
105.07005	0.5
106.04075	0.5
107.04900	1.9
108.02019	0.5
109.02821	1.3
109.06435	1.8
110.03545	0.5
111.04359	0.9
111.07988	0.9
117.03349	0.4
119.04880	1.0
120.05664	0.4
121.02821	1.2
121.06453	3.4
123.04391	2.6
123.08023	1.3
125.05950	1.6
125.09588	3.6
127.07469	0.4
131.04881	0.4
132.05666	0.5
133.06450	2.1
134.03583	0.5
135.04391	1.4
135.08047	3.8
136.05232	0.5
137.02214	0.4
137.05968	7.9
137.09592	0.7
138.06729	1.6
141.05444	1.6
143.04901	2.8
144.05597	0.5
147.04385	0.7
148.05185	0.4
149.05939	2.2
149.09637	0.5
149.29359	0.4
152.06195	2.4
153.07001	1.9
153.09105	33.0
153.48894	0.4
154.09436	1.3
155.06935	0.5
156.05624	0.5
159.04405	0.5
161.04791	0.5
161.05943	3.2
162.06746	4.5
163.07510	3.5
163.11102	0.6
164.08282	0.5
165.09096	3.0
167.10658	0.9
171.04401	0.8
172.05228	2.2
175.11186	1.2
177.12808	1.0
179.10638	2.8
180.05713	8.1
181.06421	1.4
187.11174	0.9
188.04736	1.4
191.10699	2.7
191.14394	0.5
193.08640	4.2
193.12263	5.0
193.15918	0.6
195.10173	0.7
195.13890	0.8
197.05965	0.8
199.11232	1.1
201.12747	1.4
203.10699	0.9
204.11362	0.5
205.12273	2.7
207.10223	1.6
208.05258	6.6
209.06026	63.9
210.06401	3.0
215.10725	21.2
216.11082	1.6
217.12303	1.9
219.13860	20.1
220.14256	0.9
221.06734	0.4
221.11792	0.5
227.10808	1.3
233.11797	11.2
234.12032	0.6
235.13507	0.5
237.05568	1.6
237.11304	1.2
237.14919	7.0
239.40547	0.4
245.11809	5.9
246.12077	0.5
252.04265	0.6
253.05069	51.2
254.05391	2.9
263.12909	1.3
281.04568	100.0
281.13931	16.0
281.16681	1.0
281.24902	0.6
282.04904	5.6
282.14252	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1395
Annotation	Merrillianone
Peak:m/z	Relative Intensity
52.91610	1.4
52.91839	0.5
56.63475	0.4
57.03034	1.0
57.03316	17.7
58.96555	0.5
59.00972	0.6
59.01243	6.9
64.94323	0.5
69.69469	0.4
71.01221	0.7
71.04903	0.6
71.23380	0.4
77.36426	0.4
79.05384	0.6
81.03316	1.7
83.01244	1.0
83.04862	0.5
84.53349	0.5
85.02808	23.6
91.11690	0.5
93.03320	0.5
95.04901	1.6
96.95856	0.4
97.06445	0.9
97.85305	0.4
99.04377	1.1
99.08023	2.0
101.02318	1.0
101.05984	0.7
107.04884	1.2
109.06462	0.8
111.04381	1.1
113.02303	0.6
113.05942	0.8
121.02808	1.8
122.03606	2.2
123.08025	12.9
124.08338	0.8
135.04391	1.0
135.08046	0.6
136.05225	0.7
137.09595	5.1
142.68942	0.5
151.07581	0.8
165.09111	65.2
166.09433	2.0
167.07042	4.1
167.18988	0.5
175.11197	1.1
177.09061	0.7
179.10727	1.2
181.08629	1.8
193.07112	0.9
193.12273	5.7
203.91805	0.5
207.13857	0.9
217.12405	0.5
219.13811	0.9
220.10982	1.3
221.06606	1.0
235.13406	2.3
237.11238	0.5
237.14876	1.1
245.11661	1.1
263.12872	7.8
273.07788	0.5
281.13953	100.0
281.24936	2.1
282.14297	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	281.1759
Annotation	Fumagillol
Peak:m/z	Relative Intensity
54.42892	1.8
57.03311	3.1
59.01243	38.8
67.01752	5.6
67.45016	0.7
69.03318	1.6
71.01247	3.2
71.04875	1.7
72.57031	0.7
73.02826	1.0
83.04889	2.7
85.02792	2.6
85.06435	1.1
87.00760	1.7
88.03902	5.0
89.02316	1.7
95.04888	5.6
95.92746	0.8
96.95872	1.5
97.06446	25.7
101.02310	5.2
106.85574	0.9
111.51946	0.8
113.02290	1.3
113.09518	1.2
119.04829	1.1
121.06516	1.1
121.10100	10.2
123.08054	1.0
128.73114	0.9
137.09637	1.8
139.07573	1.6
139.11162	5.4
147.08049	3.3
148.08783	1.0
149.09761	0.8
152.98079	0.8
157.08627	5.1
159.27428	1.0
161.04446	3.5
165.09085	4.7
165.12733	1.9
166.35051	0.9
167.10715	1.8
169.08598	2.6
183.10188	100.0
184.10562	2.8
191.14522	1.1
193.07091	2.4
193.12300	2.3
201.16324	1.2
219.13904	1.1
219.17546	7.7
221.06682	5.0
225.68690	0.9
237.14906	1.6
245.15450	1.4
263.16541	87.1
264.16937	3.5
281.14035	6.5
281.17154	6.5
281.20648	1.4
281.24854	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	281.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	3.5
59.00035	2.5
59.01241	100.0
68.34624	1.5
71.01244	4.9
73.02809	4.6
73.38574	1.6
81.03296	2.4
81.63226	1.5
83.01237	2.1
83.04869	1.9
83.72742	1.4
85.02808	3.7
87.00736	5.4
88.03885	15.3
89.02295	3.3
93.03359	2.0
95.01266	1.9
95.04909	2.1
97.06427	1.8
101.02311	8.6
109.06464	2.8
111.08009	20.2
113.02302	2.3
114.67042	1.8
116.97088	1.8
119.04843	1.7
123.08068	2.5
125.02307	2.8
125.05913	2.2
125.09614	7.9
127.07549	5.4
135.08075	1.9
136.76503	1.7
139.11191	3.7
141.09137	1.9
149.09648	3.5
151.07524	3.6
153.09099	6.5
155.10712	2.9
161.04410	7.8
169.08601	63.9
170.08838	2.4
171.10204	4.4
183.10179	20.2
193.07166	9.0
193.08615	2.3
193.12265	3.4
199.09735	2.7
219.17508	2.6
221.06641	14.4
226.06026	1.7
235.17004	7.6
237.14937	4.6
263.16559	14.7
269.26300	1.9
281.14087	9.1
281.17618	38.5
281.20844	3.1
281.24664	8.4
282.17972	3.5
301.64697	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1759
Annotation	Nardosinanol D
Peak:m/z	Relative Intensity
57.03311	3.5
59.01244	38.7
59.02394	0.8
60.41180	0.8
62.55719	0.8
68.79364	1.0
69.03316	2.3
71.01251	0.9
71.04884	3.3
73.02789	1.1
80.02561	1.6
81.03304	3.0
83.04890	3.1
85.02795	1.6
88.03892	5.3
89.02327	1.3
89.23214	0.9
95.01276	1.5
95.04884	4.6
96.02016	2.1
96.95880	1.0
97.02811	3.2
97.06443	12.9
98.03597	1.0
101.02302	3.8
109.06440	0.9
110.03616	1.2
113.02351	1.0
113.09590	3.1
118.13817	0.9
122.67139	1.0
123.08032	2.3
133.06490	3.1
135.08051	8.1
137.09627	3.0
139.11087	1.3
149.09579	1.1
151.11205	7.8
153.05481	1.2
153.09111	3.2
161.04469	3.6
163.11186	1.8
165.09084	6.9
165.12767	11.2
177.12804	2.7
181.08652	5.0
181.12259	3.3
181.61546	0.9
183.10190	4.2
191.14392	2.5
193.07094	4.0
193.12262	2.5
195.10229	3.5
195.13808	1.3
201.16412	1.3
205.12289	1.3
219.17499	42.1
220.17892	1.8
221.06633	3.8
223.13333	2.9
245.15431	3.8
263.16531	100.0
264.16931	5.0
281.14255	3.6
281.17581	62.8
281.24738	2.6
282.17902	2.9
296.52670	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63866	1.0
56.51609	0.6
57.03315	0.9
58.00447	0.8
59.01243	18.9
65.12430	0.7
67.39719	0.5
69.03323	1.7
71.01217	1.5
73.02806	1.2
81.03281	0.8
82.93335	0.7
83.04913	1.2
85.02795	0.7
88.03894	3.6
93.03264	0.8
93.06927	0.7
95.04870	1.2
97.06438	1.1
101.02313	1.2
104.99268	0.7
107.02142	0.6
109.06457	2.0
111.05251	0.6
111.08021	35.2
112.08316	0.8
121.06451	0.8
121.10108	1.8
123.08036	1.5
125.05989	1.6
125.09590	11.7
127.07564	2.0
131.70381	0.6
137.09605	1.5
139.11179	2.2
141.09088	4.1
149.09618	1.2
151.07549	2.8
153.09073	3.2
155.10635	3.1
161.04456	1.6
165.12823	1.1
169.08607	100.0
170.08946	3.3
171.10152	3.6
183.10187	13.0
193.07033	1.1
194.09416	1.2
197.11807	1.1
199.09689	3.2
201.16389	1.3
219.17502	2.4
221.06625	2.7
226.08406	1.1
235.16954	5.5
237.15024	3.3
245.15367	1.1
263.16547	14.6
264.16620	0.8
281.14069	2.8
281.17563	33.2
281.24655	1.1
282.18011	1.6
286.55133	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93807	0.4
52.09564	0.5
53.63863	0.8
57.03318	2.3
58.00463	1.2
59.01241	34.3
59.02377	0.6
63.06425	0.6
64.98273	0.5
65.88705	0.5
69.03328	2.5
71.01248	3.3
73.02795	2.0
81.03323	1.7
83.04885	1.6
85.02813	1.2
87.00743	2.0
88.03893	5.9
89.02310	1.0
91.72756	0.7
93.03333	1.1
95.04892	2.0
97.02760	0.6
97.06411	1.1
97.95242	0.5
98.70059	0.6
101.02337	3.1
105.58270	0.5
108.02017	0.8
109.06462	2.6
111.08015	27.7
112.08365	0.8
116.00273	0.6
119.04854	0.8
121.10090	1.5
123.07995	3.8
125.05959	1.4
125.09583	10.5
126.09888	0.6
127.07510	3.9
129.08969	0.5
135.08041	0.9
137.09610	2.4
139.07545	1.0
139.11171	3.7
140.08403	0.6
141.09099	5.2
144.25763	0.6
147.11671	0.7
149.09587	1.5
151.07552	3.0
153.09143	5.1
155.10681	3.0
161.04468	2.4
165.09122	0.9
165.12773	2.8
167.10648	0.7
169.08607	100.0
170.08987	3.2
171.10156	4.8
183.10188	15.8
193.07076	1.7
193.08670	1.0
193.12413	1.2
199.09668	3.3
201.16380	1.5
219.13921	1.3
219.17476	3.0
221.06592	2.9
222.72246	0.7
226.08409	1.1
235.17001	10.0
237.14815	3.2
245.15590	0.8
263.16544	17.8
264.16714	0.7
266.99744	0.7
281.11813	2.2
281.14334	1.6
281.17572	31.7
281.24750	1.9
282.17807	2.5
290.99768	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1758
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
50.87675	1.6
51.72512	1.3
53.06687	1.6
55.24836	1.4
57.03315	4.1
59.01244	100.0
59.02327	1.5
68.47949	1.3
69.03349	2.0
71.01270	5.1
71.04892	4.0
74.20276	1.3
76.79571	1.5
80.02567	1.4
82.98488	1.4
83.01296	1.9
83.04913	4.6
85.02797	2.7
87.00773	5.7
88.03895	12.1
93.03336	2.4
95.04900	2.6
96.95959	1.9
97.06443	14.6
101.02309	8.0
111.08058	5.4
113.02356	2.8
119.04967	1.9
123.08022	9.5
125.05959	2.3
125.09587	19.6
127.11177	3.8
131.03397	3.0
135.08083	1.8
137.09622	3.3
139.07587	4.7
139.11244	2.8
153.09149	6.3
155.10670	37.5
155.11861	2.5
157.16577	1.5
159.04477	4.1
160.05402	2.1
161.04507	7.8
165.09212	5.1
165.12721	10.8
169.08656	3.0
181.08595	3.8
183.10168	10.8
183.13853	4.0
191.14488	1.7
193.12346	3.2
219.13980	2.0
219.17517	29.6
221.06627	13.1
237.15013	3.1
237.18539	9.4
245.15463	2.7
249.09171	1.7
253.18216	2.4
263.16553	21.4
265.08737	4.9
266.09525	9.3
269.17480	1.6
281.11511	15.2
281.14505	3.2
281.17578	45.3
281.20816	1.8
281.22000	2.1
281.24567	8.4
282.18262	2.1
282.24875	1.8
290.96591	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	281.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.3
59.00014	0.5
59.01242	26.3
60.82890	0.4
67.98580	0.8
67.98901	0.5
69.03300	0.6
71.01224	1.5
73.02783	0.5
75.95615	0.4
80.02549	0.4
81.03291	0.5
83.04871	1.5
84.92920	0.3
85.02783	1.1
86.60879	0.4
87.00741	1.4
88.03893	4.0
89.02275	0.6
91.73319	0.5
93.03292	1.0
95.04865	1.5
97.02815	0.6
97.06432	3.6
98.03544	0.7
99.08017	0.9
101.02306	2.3
107.04854	0.6
107.78900	0.4
109.06433	1.0
111.08006	2.0
113.05906	0.5
113.09581	3.8
115.07499	1.4
116.97120	0.5
121.86388	0.4
123.04374	0.7
123.08012	0.9
125.02358	0.5
125.05945	1.4
125.09534	0.6
126.06729	1.4
127.07495	0.7
128.08240	0.5
129.09030	0.6
135.07974	0.9
137.02345	0.5
137.09604	4.6
139.07520	2.5
139.11165	3.7
141.09085	8.4
143.07037	0.5
143.10657	1.3
147.08054	0.8
149.09569	0.8
151.07498	0.5
151.11102	1.2
153.09071	3.4
154.09859	0.4
155.10687	3.2
161.04454	2.5
161.88956	0.4
163.11227	0.4
165.09105	2.1
165.12740	14.2
166.13016	0.5
167.10672	3.1
169.08594	1.4
183.10190	3.0
185.11760	0.7
191.14320	2.5
193.07112	1.6
193.08659	0.6
193.12234	1.5
195.13821	0.7
200.97255	0.9
201.11244	0.7
201.16454	0.5
209.15358	0.5
209.19096	1.0
212.10449	4.6
213.11064	0.9
214.11996	0.4
216.44089	0.5
217.15961	0.6
219.13991	0.9
219.17480	13.4
220.17891	0.6
221.06577	3.3
235.16988	0.7
237.18581	5.7
238.18953	0.8
245.15453	2.9
253.18158	1.4
261.15256	0.4
263.16528	33.6
264.16849	2.4
281.17581	100.0
282.17908	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	282.0843
Annotation	Crotonoside
Peak:m/z	Relative Intensity
57.03305	0.2
57.81612	0.2
58.88642	0.2
59.01247	1.8
66.00820	0.5
71.01235	0.4
73.02799	0.3
74.98928	0.2
78.00874	0.2
78.95747	0.6
82.03954	0.7
87.00735	1.2
88.03894	100.0
88.06136	1.4
89.02290	6.6
89.03705	0.3
89.04178	1.2
96.96815	0.9
101.02294	1.3
101.23035	0.2
102.02621	0.4
102.05480	1.2
103.03194	0.3
103.03867	3.9
107.03496	2.3
108.01897	4.5
109.02772	0.2
113.98218	0.2
126.02959	5.0
133.01434	18.8
134.01825	0.3
136.99092	0.2
150.04099	66.2
150.09070	0.9
151.02525	4.8
151.03673	0.2
151.04521	1.1
151.57973	0.2
153.01897	0.2
179.05521	0.3
193.07021	0.4
194.08153	0.5
206.88240	0.2
282.08441	18.7
283.06287	0.4
283.08856	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51953	0.8
51.57473	1.1
53.00192	0.9
53.46893	0.8
53.54333	1.0
57.43674	1.3
59.01244	9.4
59.26052	0.9
63.02248	3.1
65.00169	4.2
65.03816	2.3
66.03339	4.4
68.99684	1.2
69.31387	0.9
71.01232	2.1
73.02801	2.0
75.02267	5.5
77.03808	2.4
78.95753	1.6
79.01760	6.9
81.03306	2.7
85.02824	1.3
87.00739	5.6
88.03400	1.5
88.03900	15.4
89.02296	15.1
89.04253	1.9
91.01748	13.0
93.02753	1.8
93.03318	26.0
94.86797	0.9
95.01228	1.6
95.04858	1.2
97.02776	0.9
101.02309	2.4
102.98418	0.9
103.01749	14.8
105.03330	11.7
107.01247	4.5
108.02013	2.5
109.02103	1.8
109.02810	20.5
110.02297	1.0
113.02290	1.4
118.97964	9.2
119.01251	35.6
119.04889	3.6
121.02824	31.3
121.06471	1.6
123.04353	4.6
125.02271	5.5
131.01257	13.7
133.02831	10.2
135.00740	3.4
136.01558	3.0
137.02322	38.0
139.03880	4.3
147.00755	21.2
149.02336	15.8
151.00337	1.1
153.01805	4.2
155.03412	1.6
159.00769	2.3
163.00255	10.6
164.01050	1.8
165.01820	34.5
166.02544	4.4
168.55681	1.1
175.00223	4.0
176.07208	1.2
177.01842	43.8
178.02058	1.2
178.99768	3.3
180.04182	4.1
181.01340	2.3
183.02919	3.8
190.99791	7.5
192.00340	1.2
193.01353	94.9
194.01753	3.9
194.05757	1.1
195.02982	2.0
195.06598	6.1
195.11330	9.8
199.17810	1.0
209.00854	12.4
209.08188	1.2
210.01053	1.1
211.02412	7.1
220.06194	1.8
221.00876	100.0
222.01399	6.2
223.08099	5.3
239.01953	91.6
239.10248	2.4
240.02249	3.2
265.00079	1.2
283.01096	3.9
283.08542	1.7
283.12085	1.2
283.15689	1.6
283.26428	36.7
302.57739	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.6
59.01244	5.1
66.03352	3.0
69.03327	0.6
71.01233	1.2
73.02819	0.7
75.00743	0.5
78.95757	1.9
79.01752	0.5
85.02824	0.6
87.00716	1.7
88.03896	4.8
89.02296	7.4
89.04236	1.3
91.18768	0.5
93.03311	1.6
96.96814	2.2
101.02274	1.3
102.98460	1.1
103.03819	0.7
108.02003	0.7
109.02831	3.0
111.04356	0.7
113.02326	0.5
114.05499	0.7
118.97939	1.7
119.01218	1.2
121.02807	1.9
122.03600	2.1
123.04370	1.6
125.02300	0.6
130.08597	0.5
136.01619	0.6
137.02281	2.4
147.00801	1.0
149.98334	1.0
150.03114	61.1
151.03488	1.9
161.04543	0.6
163.00256	0.5
163.03857	0.6
165.05470	56.3
166.05829	1.5
166.34587	0.6
177.01852	1.9
179.69336	0.5
180.04195	18.9
184.20172	0.5
193.01312	3.4
194.05792	1.5
195.06555	100.0
195.11292	6.5
196.06921	3.2
196.31644	0.5
221.00839	4.3
222.54518	0.5
223.08189	2.7
239.01894	3.7
239.10399	2.0
253.07199	0.7
263.88593	0.5
265.11148	0.6
283.08151	3.4
283.15656	0.5
283.19385	0.7
283.26434	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91302	0.3
57.03300	0.6
59.00109	0.6
59.01241	28.9
59.02516	0.5
71.01260	0.4
73.02788	1.0
82.36332	0.4
83.04879	0.5
86.98736	1.3
87.00730	100.0
87.03012	1.1
88.01065	1.1
88.03917	1.0
89.02318	2.6
97.06415	0.6
101.02312	0.8
108.02029	2.2
109.02825	0.8
119.04897	2.8
121.02829	3.0
121.06469	4.5
123.04374	4.5
124.01517	1.1
125.02358	0.6
133.06512	0.6
134.03612	1.2
135.04388	10.4
136.05185	12.0
139.07501	0.6
149.06001	0.8
150.03160	0.7
151.03915	2.9
151.07547	5.4
161.05962	1.2
180.04208	0.5
193.87354	0.4
195.06552	79.7
196.06873	3.6
203.07147	0.6
205.08615	0.5
221.08089	3.4
221.11594	0.4
221.15350	0.5
223.08125	1.1
253.07272	0.8
260.95300	0.4
283.08261	18.7
283.11789	1.9
283.15115	3.4
283.26407	8.9
284.08603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87943	1.1
55.75624	1.4
57.03303	5.1
57.37730	1.2
59.01238	7.3
71.01238	1.5
72.99164	9.5
73.02810	3.2
74.16207	1.1
79.05388	5.6
83.04883	6.6
85.02785	2.1
85.06439	27.4
87.04370	1.3
89.02302	5.0
90.79120	1.1
91.72663	2.3
95.04892	3.0
95.08521	40.5
96.20695	1.0
97.06448	6.2
99.07993	2.1
100.38360	1.5
101.02274	1.6
105.85154	1.3
109.02817	2.8
109.06435	3.6
111.04382	50.0
112.04718	1.4
115.07502	3.8
119.08533	3.7
121.06465	5.2
123.04399	21.6
123.08035	3.3
125.05952	3.0
127.07540	1.6
137.09590	5.4
139.07536	4.7
147.11681	11.2
149.09595	2.8
163.07610	2.3
163.11192	6.8
165.12750	100.0
165.18651	1.9
166.06195	1.8
166.13083	3.6
177.12741	5.8
179.10707	1.7
181.12221	1.6
188.33936	1.5
191.10719	3.9
209.11774	80.1
210.12177	4.5
221.11783	5.5
223.08228	2.1
235.13506	1.7
239.12877	5.7
253.10809	13.3
283.11887	36.1
283.15488	10.8
283.26437	31.9
284.12289	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	283.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27394	0.2
59.01233	1.1
60.99155	0.4
63.19972	0.5
67.57903	0.2
77.95027	0.3
83.04881	10.1
88.03852	0.2
89.02293	0.4
90.18555	0.2
91.73347	0.5
93.06979	0.3
94.04070	0.2
99.05569	1.3
99.08015	100.0
99.10834	1.1
100.08341	2.4
101.05946	5.7
109.06464	2.7
109.34433	0.2
113.02221	0.2
113.36881	0.3
120.05660	2.4
122.03590	0.6
138.06747	3.5
139.11185	0.8
153.12701	0.5
161.09599	0.6
163.11156	0.6
166.09888	0.7
167.14340	2.2
175.11281	0.2
177.12762	61.6
178.13083	3.1
179.10695	0.7
180.11481	5.0
183.43367	0.2
191.10803	0.3
193.12210	0.7
195.13840	25.3
196.14212	1.7
196.99527	0.3
209.11691	0.4
221.11806	5.5
239.12874	13.4
240.13106	0.6
283.11905	5.4
283.15057	0.5
283.26309	1.3
284.12250	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.3
55.56445	1.2
55.91869	0.5
55.98094	0.4
57.03318	0.7
59.01242	14.3
59.84557	0.4
64.93226	0.6
66.17902	0.4
67.01752	17.9
68.60379	0.5
73.02804	6.1
73.87743	0.5
74.59097	0.4
75.05254	0.5
75.28962	0.5
75.81325	0.5
76.66814	0.5
81.03323	4.7
81.04817	0.5
83.04871	0.9
92.87863	0.5
94.04117	0.7
94.08570	0.5
99.00095	0.7
99.00741	18.3
99.08015	23.0
100.08331	1.2
100.21526	0.5
101.05930	3.3
107.04890	3.0
109.02751	1.2
109.06457	24.4
111.00749	11.5
113.09586	1.9
117.01807	1.9
118.71250	0.4
121.10067	0.6
122.03593	6.2
125.05971	0.8
137.05952	1.2
138.06725	1.9
139.03857	1.2
139.11157	5.1
141.09097	1.1
148.92657	0.5
149.09599	0.6
151.11201	1.1
161.09506	0.6
165.09145	1.9
177.09105	0.7
177.12823	2.8
179.10684	56.9
179.79301	0.5
180.11099	2.0
183.06578	4.5
183.10156	4.5
195.13846	10.8
203.14381	1.0
211.17999	0.5
221.11792	6.6
223.09732	11.5
224.10094	0.8
239.12874	38.7
239.16644	1.2
240.13271	1.9
265.14496	0.8
283.11893	100.0
283.26245	3.8
284.12225	5.6
290.96823	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16267	0.2
57.03309	0.8
59.01228	0.3
60.56426	0.2
71.68707	0.2
72.97688	1.1
72.99166	100.0
73.00880	1.6
73.99506	0.8
83.04877	2.3
91.73518	0.2
99.08018	2.8
101.05936	1.6
107.04878	0.3
107.75201	0.2
109.02838	0.3
109.06458	0.7
111.07994	1.4
112.88435	0.2
120.05686	0.4
121.02824	1.1
124.05189	0.5
136.05170	0.5
137.05853	0.2
137.09633	0.7
139.00171	0.2
139.11179	0.7
153.15923	0.2
163.11197	0.6
164.04578	0.3
167.14301	1.0
177.12796	1.5
181.12267	2.5
183.98390	0.3
191.10661	0.4
193.12300	1.0
195.13896	0.8
203.10854	0.3
209.11784	1.5
221.11786	4.8
222.12280	0.5
223.08284	0.3
225.11331	0.8
239.12880	9.1
240.13179	0.3
265.10776	2.3
283.02499	0.6
283.11948	4.9
283.15576	2.0
283.18399	0.3
283.26431	5.0
284.12186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1551
Annotation	Minwanensin
Peak:m/z	Relative Intensity
50.89557	1.0
54.14260	1.1
57.03302	5.0
59.00089	1.4
59.01241	70.6
59.02501	1.3
69.03310	2.6
70.86526	0.9
71.01222	4.6
71.04866	3.2
72.99173	1.1
73.02784	2.7
75.00722	1.9
81.03310	12.3
83.04877	6.2
84.02026	7.8
85.02787	3.0
85.06424	3.3
85.32324	1.0
87.00739	1.6
87.04355	2.2
88.03870	1.6
89.02304	7.0
89.04172	1.4
93.03307	1.8
95.04860	4.2
97.02805	2.6
97.06449	5.3
99.04370	14.6
99.08002	4.9
101.02296	1.6
101.55016	1.2
107.04883	2.0
107.08538	1.0
109.02823	2.7
109.06459	6.8
111.04376	12.0
111.08015	2.9
113.09641	1.1
119.08518	1.2
121.02807	1.6
121.06448	4.9
123.08073	5.6
123.08825	1.1
124.05177	2.2
125.05952	8.9
135.08018	3.1
137.05919	1.6
137.09599	4.4
138.06731	1.5
139.07524	11.8
141.09091	67.7
142.09398	1.5
145.10179	1.1
149.09550	1.7
151.07507	1.4
151.11128	1.5
153.09125	7.2
163.11172	13.3
165.09167	5.7
165.12827	1.2
173.13264	1.6
177.09003	1.2
177.12706	6.1
181.12221	3.1
189.12785	2.1
191.14336	20.9
195.13943	1.5
203.14386	4.7
205.12405	1.1
209.15401	30.4
210.15843	1.6
221.15434	6.1
223.08110	3.5
225.11353	1.5
227.71870	1.2
235.13292	1.6
239.12839	2.1
239.16489	30.2
253.14391	1.4
265.14505	2.0
279.05667	1.2
283.11948	10.6
283.15491	100.0
283.26443	37.6
284.15863	4.2
284.26685	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1551
Annotation	Botryaloic acid
Peak:m/z	Relative Intensity
57.02118	0.5
57.03318	12.3
59.01238	6.1
62.32160	0.9
69.03312	0.8
70.30550	0.5
71.04873	1.2
72.99179	0.7
73.02787	0.9
74.61921	0.6
75.01197	0.5
79.05378	1.0
83.02808	1.5
83.04880	100.0
84.05208	1.7
85.02801	0.6
87.00731	2.1
88.03905	1.0
89.02283	3.3
93.03316	0.7
95.04866	2.5
96.27481	0.8
97.06448	13.3
99.08023	1.8
102.05441	0.6
102.98454	1.0
109.02813	1.7
109.06446	0.7
111.08012	1.0
119.08580	0.8
120.05717	0.8
121.02866	0.7
121.06441	1.5
122.03615	0.8
123.08038	3.4
127.03855	1.4
134.03612	6.0
135.04085	1.0
135.08014	3.8
136.04155	2.2
137.00534	1.1
137.02345	0.8
137.09607	9.8
147.08069	1.1
149.05891	3.4
149.09608	5.7
150.03093	2.0
150.05064	0.7
150.06659	1.2
151.11163	7.7
152.04593	0.7
161.05940	2.0
162.03070	1.7
163.03879	1.3
163.11189	7.9
165.05438	1.5
177.05559	1.2
177.09149	2.2
177.12779	5.1
178.02631	1.7
179.03212	0.9
179.07037	2.0
180.03017	2.0
180.04420	4.1
190.09906	0.9
191.14371	1.9
193.04945	5.6
193.12260	0.9
193.15878	5.0
194.05363	3.5
195.05449	7.4
195.06746	3.8
203.14355	1.9
205.12279	1.8
209.08127	2.4
221.08167	1.9
221.15437	78.3
222.15782	2.9
223.08195	1.6
239.09241	6.3
283.08502	2.1
283.15524	76.2
283.26459	15.0
284.15826	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	283.155
Annotation	Botryaloic acid
Peak:m/z	Relative Intensity
55.37131	0.7
57.03313	13.7
58.99470	1.3
59.00967	1.2
59.01239	16.0
62.32118	1.1
63.90864	0.8
69.03333	0.9
69.35507	0.8
71.01226	3.3
71.04872	1.7
73.02795	2.4
79.05376	1.1
83.03017	1.6
83.04877	100.0
83.06940	1.5
84.05183	1.1
85.02807	2.7
87.00719	3.1
88.03876	3.8
89.02296	8.7
93.03304	1.9
95.04885	3.9
97.02774	1.9
97.06440	13.1
99.07984	1.5
101.02284	3.2
102.98454	5.4
107.04881	1.7
109.02808	5.0
109.06447	2.6
111.04348	1.8
111.07993	1.5
120.05695	1.1
120.99535	1.2
121.02808	1.6
121.06418	2.3
122.03593	1.5
123.07998	4.3
127.03864	1.9
135.08034	3.8
137.00511	2.3
137.02307	2.3
137.09615	10.8
139.03911	5.7
139.07515	2.7
149.05936	2.4
149.09587	7.9
150.06682	1.7
151.11162	8.9
161.05992	4.6
162.03088	1.7
162.06685	1.4
163.03989	4.7
163.11179	8.7
165.09106	1.0
175.11166	1.3
176.04652	1.6
177.09088	4.1
177.12764	5.4
179.07043	3.9
180.04248	4.3
180.05656	1.0
180.07697	1.0
181.04932	1.5
191.14366	2.0
193.04973	1.5
193.12212	2.6
193.15938	5.6
194.05685	1.7
195.06749	5.2
203.14345	1.9
205.12309	1.4
209.08194	7.1
221.08206	6.9
221.15427	80.4
222.15736	5.0
223.08229	4.3
224.41577	1.1
225.07701	4.8
235.13419	1.4
239.09209	14.0
239.12903	1.6
253.07161	2.6
265.07288	1.6
265.10751	1.4
265.14236	1.3
265.98926	1.1
283.08673	2.1
283.11945	10.6
283.15479	83.0
283.23297	2.2
283.26407	44.2
284.11389	1.9
284.15823	3.4
284.26694	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	283.1552
Annotation	Dendronobilin L
Peak:m/z	Relative Intensity
51.80608	0.7
53.33421	0.5
56.22606	0.8
57.03318	11.0
59.01242	7.7
62.03579	0.5
63.49790	0.6
64.07788	1.2
64.08067	0.7
67.01739	1.5
67.02441	0.6
69.03313	25.7
71.01239	12.2
73.02805	9.3
81.03320	2.1
83.04877	2.0
84.02008	2.0
85.02818	7.3
85.06439	0.8
89.02273	1.0
91.73370	1.1
93.03318	7.8
95.04864	2.0
97.06440	2.5
99.08025	3.6
101.05920	2.0
105.06955	1.0
107.04884	1.9
108.01964	0.7
109.02818	5.6
109.06451	0.9
119.04916	1.4
121.02825	1.3
121.06446	3.5
123.04353	2.0
123.08035	19.4
127.07462	0.8
130.04123	1.3
133.06482	4.3
139.07477	1.3
141.76448	0.7
143.04910	2.5
144.05693	1.2
145.06488	4.6
147.04407	1.3
148.05193	1.5
149.06007	4.1
149.09621	1.1
151.11139	2.1
153.09068	0.9
158.07213	0.9
163.11133	2.5
171.04424	2.4
172.05211	13.1
173.05615	1.1
175.11172	2.3
177.09189	0.9
177.12735	1.0
178.09935	0.8
179.10721	0.9
185.05984	1.6
186.06859	1.6
187.11237	1.6
191.10745	3.7
193.15898	0.8
199.11230	6.5
201.02458	4.3
201.12799	2.6
203.10751	1.9
205.08704	4.6
205.12253	6.1
207.10266	1.3
214.09903	0.8
215.08725	1.5
215.10744	26.0
216.11075	1.2
217.12296	56.7
218.12613	2.5
221.11743	2.7
221.15440	5.7
223.08096	1.3
227.10706	1.6
229.12312	33.0
230.12708	2.0
231.10207	1.4
233.11807	100.0
234.12238	3.8
235.13353	5.4
239.16512	2.6
245.11824	2.2
247.13383	37.3
248.13698	1.7
251.12949	6.6
261.11215	0.9
263.12906	4.0
265.14459	23.0
266.14859	0.9
283.02368	2.9
283.15521	88.0
283.26413	30.9
284.15750	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	283.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91464	0.6
57.03316	8.0
58.26099	0.3
58.59381	0.3
59.01242	1.9
69.03305	0.5
71.01244	1.9
71.04868	0.8
72.99162	0.4
73.02799	1.5
81.03299	0.3
83.04861	0.7
85.02811	0.6
87.04367	0.4
89.02265	0.4
91.75073	0.3
93.03359	0.4
93.06905	0.3
95.04861	1.1
96.52731	0.3
97.06442	0.9
99.04356	0.6
99.08016	1.0
101.05929	0.5
106.34922	0.3
107.04907	0.5
108.02019	0.7
109.02820	1.0
109.06452	1.7
111.08016	19.9
112.08385	0.5
113.05925	0.4
113.35690	0.3
121.02796	0.5
121.10075	0.4
123.04362	0.5
123.07993	1.0
131.04926	0.4
135.08003	0.7
137.08728	0.4
137.09618	3.8
138.48541	0.3
139.11166	0.7
147.07990	0.5
151.00243	0.8
151.11241	0.4
152.01071	1.2
160.94237	0.3
163.11198	7.7
164.11505	0.6
165.09059	0.8
179.10681	0.6
181.05911	1.1
181.12256	100.0
182.12576	3.6
183.04440	0.5
203.14336	0.3
207.10234	1.0
211.03873	0.8
221.15396	0.8
223.08276	0.4
225.11278	10.2
226.11438	0.4
227.03555	0.4
239.07205	0.4
239.12798	0.5
239.16763	0.5
255.03020	1.3
275.42191	0.3
283.02499	2.7
283.06012	1.1
283.15536	22.5
283.26456	14.9
283.29202	0.3
284.15851	1.4
284.26849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1552
Annotation	Dendronobilin L
Peak:m/z	Relative Intensity
51.72037	0.3
55.91470	0.7
57.02238	0.5
57.03317	31.2
57.04491	0.5
58.03633	0.5
58.73487	0.3
59.01228	1.7
64.93307	0.3
69.03316	0.9
70.34306	0.3
71.04881	3.4
72.99170	0.4
76.29949	0.3
83.04877	2.5
91.72569	0.3
93.06961	0.9
95.04890	1.8
97.02825	0.3
97.06450	4.4
99.04345	0.4
99.08024	1.0
100.75397	0.3
107.04899	0.6
108.02056	0.6
109.02825	1.1
109.06462	8.4
110.75404	0.3
111.08018	54.1
112.08363	1.4
112.96192	0.3
115.03876	0.8
121.06478	0.7
121.10139	0.5
123.08018	3.3
128.54865	0.3
135.08061	2.6
137.02315	1.6
137.09601	27.3
138.09949	1.0
139.11174	2.1
145.10052	0.5
148.36139	0.3
151.11121	0.6
159.04431	1.3
161.02391	0.7
161.09595	2.2
163.11189	21.9
164.08295	0.6
164.11543	0.7
177.12726	0.4
179.10663	3.7
181.12259	100.0
181.19092	1.0
182.11176	0.5
182.12613	4.9
189.73355	0.4
193.47989	0.4
193.99786	0.4
203.03427	1.2
203.14268	0.5
203.57883	0.4
207.10226	0.9
208.76469	0.4
221.11607	0.4
225.11285	19.8
226.11665	0.5
239.03693	0.3
239.16425	0.5
282.99585	0.5
283.02570	1.8
283.06137	1.6
283.15524	38.5
283.26361	6.8
284.15970	2.0
296.12839	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0405
Annotation	Kaempferol
Peak:m/z	Relative Intensity
54.93203	0.1
56.17915	0.1
59.01232	0.5
59.02655	0.1
63.02254	0.8
63.58774	0.1
65.00185	0.8
67.01733	0.3
79.01705	0.2
83.01242	1.0
89.94240	0.1
91.01728	0.4
93.03314	2.9
95.01234	0.3
99.07978	0.2
107.01250	1.8
107.10828	0.1
108.02034	0.5
109.02819	0.9
117.03329	1.1
119.01261	0.2
119.04906	0.3
121.02805	0.2
123.00719	0.3
123.04368	0.6
124.01489	0.1
128.71638	0.1
130.04124	0.2
131.04886	0.4
133.02873	0.2
134.98967	0.1
135.00752	0.5
136.01543	0.3
137.02299	0.6
141.07001	0.3
143.04897	1.4
145.02826	1.1
147.00835	0.2
151.00266	1.9
154.04115	0.9
155.04880	0.6
156.05682	0.4
157.02843	0.4
157.06490	0.9
158.03598	0.3
159.04420	1.5
161.02341	0.7
163.00278	1.0
164.01001	0.5
165.01878	0.4
167.04910	0.7
168.05756	0.3
169.01256	0.4
169.06500	1.1
171.04419	1.3
173.02330	0.6
173.05946	0.2
174.03116	0.3
182.03601	0.2
183.04446	0.5
184.05156	0.7
185.05998	2.3
187.03894	1.6
189.05524	0.3
191.03415	0.2
195.04463	0.5
197.06018	0.2
198.03174	0.4
199.03879	0.3
201.05501	0.6
211.03947	1.4
212.04654	0.3
213.05502	1.1
214.02655	0.6
215.03311	0.7
219.02872	0.3
227.03497	1.0
228.04143	0.2
229.05032	1.8
239.03497	1.8
240.04231	0.6
241.04968	0.3
243.02911	0.6
255.02908	0.9
256.03662	0.2
257.04495	1.4
267.02997	0.3
268.03729	0.2
284.03250	0.3
284.91681	1.0
285.04056	100.0
285.20651	2.8
286.04401	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	285.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82359	0.1
55.19072	0.1
59.01252	0.1
63.35930	0.1
65.00165	0.1
67.41964	0.1
68.44830	0.1
68.99680	0.1
72.72994	0.1
74.09831	0.1
87.07103	0.1
93.03311	1.0
95.52397	0.2
106.04095	0.5
107.04897	1.4
108.02036	0.1
109.02815	1.1
117.03329	0.2
119.01238	0.2
119.04879	0.2
121.02822	0.2
130.04056	0.1
132.02040	0.5
133.02832	1.0
135.04381	0.2
139.05389	0.4
141.06972	0.1
143.04878	0.4
145.02867	0.1
147.00774	0.2
148.01530	1.6
149.02347	0.7
150.03152	0.7
151.03822	0.1
155.04892	0.1
156.05682	0.2
157.02928	0.1
157.06538	0.6
159.04413	0.2
163.03896	0.1
167.04927	1.8
167.06223	0.2
169.02866	0.1
169.06509	0.3
169.43619	0.1
170.03612	0.2
171.04443	0.8
173.05946	0.2
175.00320	0.9
176.01062	23.3
176.07143	0.3
177.01764	1.5
178.02528	0.1
179.03455	1.5
182.02068	0.5
182.03621	0.2
183.04422	1.1
184.05202	0.7
185.05991	3.1
186.06438	0.1
187.03934	0.2
191.03423	0.4
194.03703	0.1
195.04445	3.5
196.05205	2.2
197.05832	0.3
198.03232	0.6
199.03954	0.6
210.03236	0.2
211.03954	2.9
211.07466	0.8
212.04707	3.0
213.05527	5.4
214.05846	0.3
215.03499	0.1
223.03970	1.1
223.07565	0.2
224.04753	6.5
225.05080	0.4
227.03407	0.3
228.04086	0.1
229.05060	1.2
239.01227	0.2
239.03474	2.3
240.04256	11.0
241.05029	9.4
242.02153	0.2
242.05342	0.5
243.02951	0.4
255.03011	0.7
255.06699	0.7
256.03680	0.5
257.04547	1.2
267.03021	0.8
267.06668	0.3
268.03763	1.0
281.62781	0.1
283.02539	0.6
284.03253	1.5
285.04062	100.0
285.16306	1.0
286.04413	6.2
307.76822	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	285.0405
Annotation	5,7,2',6'-Tetrahydroxyflavone
Peak:m/z	Relative Intensity
54.28384	0.1
58.50940	0.2
59.01214	0.5
69.34257	0.6
73.25685	0.2
74.30107	0.2
78.32378	0.2
91.72699	0.3
123.04391	0.4
129.48291	0.2
138.93239	0.2
142.04105	0.5
145.02888	0.3
158.03629	3.8
160.33586	0.2
161.02356	0.4
161.24092	0.2
169.02850	0.6
170.03667	1.6
173.02298	0.6
174.03117	0.3
176.00964	0.3
185.02351	7.0
186.03145	8.6
186.10292	0.2
187.03488	0.3
189.01842	0.4
197.02338	0.5
198.03191	1.8
201.01761	0.3
202.02684	0.2
213.01888	3.6
214.02657	15.7
215.02997	0.7
225.01926	0.7
226.02713	0.8
229.01332	0.6
241.01392	2.6
241.05075	0.4
241.12323	0.5
242.02182	23.7
243.02449	1.2
246.01707	0.6
253.01576	0.2
269.90399	0.7
270.01712	83.8
271.02048	4.6
284.26682	0.4
284.91739	0.9
285.04059	100.0
286.04388	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	285.044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85233	0.2
54.92752	0.2
58.35640	0.2
59.01004	0.3
59.01243	2.5
64.23456	0.2
71.01264	0.4
73.02803	0.3
83.04865	0.3
85.02805	0.4
87.00739	0.4
91.83297	0.3
93.03304	2.1
96.96824	0.3
99.04346	0.4
104.92486	0.3
105.01746	0.5
107.01249	0.3
107.04884	0.7
109.02847	0.5
109.06395	0.3
110.02270	0.3
111.00742	0.3
113.87347	0.3
114.05476	1.0
119.04892	60.9
119.08279	0.8
120.05222	1.7
120.36998	0.3
120.99516	100.0
121.02905	1.8
121.06422	0.2
121.99850	1.1
122.98787	0.4
123.04415	0.9
123.05471	0.3
125.02277	0.4
134.03581	2.2
135.04385	1.5
137.02296	1.1
147.04382	0.5
149.05943	0.7
154.39616	0.3
159.04350	0.5
163.00238	0.4
163.03903	7.9
164.01006	0.3
185.05980	0.3
257.04675	0.4
267.01559	0.6
267.09698	0.3
284.26761	0.6
285.04068	12.4
285.11157	4.4
285.13687	0.6
285.16562	0.4
286.04446	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87450	0.3
57.92304	0.4
58.70477	0.3
59.01233	1.0
61.17183	0.3
61.64745	0.4
63.25113	1.5
63.25462	0.7
67.77655	0.4
69.35203	0.4
83.14591	0.4
93.03313	1.5
99.08015	1.6
107.01212	0.5
109.99957	1.4
117.03326	0.6
119.04826	0.8
121.02816	0.8
123.00752	4.9
124.01520	0.5
133.02814	4.3
137.99432	0.7
143.04886	1.8
147.04385	0.4
151.00256	2.5
152.00906	0.6
169.06514	6.3
179.14366	0.4
180.05748	2.7
181.06425	1.6
185.02368	0.9
185.06062	0.9
197.06010	9.3
198.06773	2.2
208.05211	3.9
209.05997	8.4
210.06612	0.6
211.03917	0.7
213.01880	0.8
213.05504	1.1
216.04187	0.7
224.04800	1.3
225.05525	21.1
226.06310	99.2
227.06674	4.4
227.12843	1.2
228.04245	0.6
229.05017	7.4
241.01447	1.0
241.05081	3.3
241.08673	15.8
241.14278	0.7
242.02196	1.0
242.05746	0.6
242.08980	0.6
270.05356	39.8
271.05746	2.1
285.04190	4.4
285.07681	100.0
285.17044	2.8
286.08038	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	285.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39042	0.4
52.34544	0.4
53.63809	0.4
55.71854	0.9
55.72092	0.5
60.97616	0.5
62.03662	0.5
67.35616	0.5
68.83514	0.4
82.59485	0.5
89.69852	0.5
93.03316	30.4
98.41195	0.5
106.04105	14.9
107.04890	41.7
107.07830	0.5
108.02072	0.8
109.02839	1.1
117.03336	4.5
119.04901	8.3
121.02839	1.7
123.04350	0.5
125.02292	0.6
133.02869	1.2
134.01883	0.5
134.03619	1.3
135.04398	4.8
137.02327	1.7
138.03058	1.0
139.05350	0.5
143.04906	0.8
147.04408	3.7
148.01521	1.4
149.02301	1.3
150.03113	24.6
151.03897	3.2
157.06544	0.7
163.03905	0.9
167.04936	1.8
175.00325	0.8
176.01065	20.3
177.01686	2.2
178.02643	3.0
179.03412	47.4
180.03760	1.4
182.02122	13.3
182.03642	1.0
183.02635	0.8
183.04410	1.3
184.05304	1.3
185.06021	2.9
191.03429	14.8
193.06544	1.4
195.04471	3.7
195.08070	0.8
196.05244	2.8
198.03281	0.6
209.05978	2.2
210.06819	2.9
211.04007	2.4
211.07603	25.8
212.04732	3.3
212.07976	1.4
213.05560	4.3
213.09106	3.5
221.06111	1.2
222.06879	0.8
223.04156	0.8
223.07558	4.7
224.04741	6.5
228.04277	0.8
229.04984	0.7
239.03491	2.0
240.04269	9.9
241.05038	9.5
255.06612	24.4
256.06894	1.2
257.04532	1.0
257.08167	1.9
267.03308	0.7
267.06650	13.6
268.03812	0.9
283.02423	0.6
284.03333	0.9
285.04062	100.0
285.07623	21.8
285.17081	1.3
286.04471	5.7
286.07553	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20350	0.5
52.04155	0.3
53.01426	0.3
57.03316	0.5
59.01219	1.7
59.01483	0.4
59.70760	0.3
60.39471	0.3
62.42264	0.4
63.10202	0.7
63.10479	0.4
63.25146	0.5
67.01729	0.9
71.01241	1.0
73.02795	0.5
83.01202	0.7
83.04875	0.6
91.72770	0.8
93.03294	1.2
95.01234	1.6
96.82101	0.5
99.07994	0.8
105.06937	0.6
107.04882	0.6
108.01334	0.8
108.02026	9.1
109.02815	7.8
111.00739	7.6
119.04928	0.7
121.02071	0.6
121.02826	3.8
121.06417	1.2
123.00750	9.0
123.04362	1.1
124.01534	9.0
131.04843	0.8
134.03500	0.4
135.04439	0.8
136.01558	0.7
136.73073	0.4
137.02287	1.0
139.00244	1.4
145.02818	0.9
146.86176	0.5
147.04388	1.4
148.05194	2.0
149.05971	22.1
150.06276	1.3
151.03886	1.2
167.04854	0.5
169.06444	0.9
175.03918	7.9
176.01071	1.2
179.03305	0.6
181.06453	0.4
185.02345	1.8
185.05974	1.3
195.04393	0.8
196.05119	0.6
197.02187	0.5
197.06003	3.1
198.06587	0.6
209.06003	2.1
211.03912	0.6
211.07428	0.7
212.04634	0.5
213.01869	1.8
213.05472	1.7
224.04671	1.4
225.05537	31.1
226.06308	26.4
227.06680	0.6
229.04927	0.7
240.04066	0.7
241.01489	0.7
241.04974	2.2
241.08679	5.7
251.03471	0.5
253.01463	2.4
253.05025	1.5
255.06554	0.6
267.06531	0.5
270.05353	12.7
271.05673	0.7
284.26718	1.4
285.00494	7.1
285.04102	13.0
285.07672	100.0
285.16968	2.0
285.20386	1.1
286.01096	0.5
286.04733	1.0
286.08008	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	285.077
Annotation	Calythropsin
Peak:m/z	Relative Intensity
50.57256	0.6
55.02279	1.2
57.01692	0.6
57.03310	1.1
59.01254	3.7
59.01477	0.8
67.01716	0.7
67.33045	0.7
71.01212	1.0
71.04853	1.2
72.82255	0.7
78.80841	0.7
78.97752	0.7
79.95558	0.9
81.03290	1.4
83.01232	1.2
83.04874	8.1
85.02807	0.9
85.06445	1.5
93.03316	13.9
95.04853	1.6
95.95066	1.0
96.95252	1.0
96.95868	14.5
106.04095	1.1
106.18826	0.8
106.40096	0.7
107.04862	1.7
108.02025	5.3
109.02815	39.1
110.03142	1.0
111.00721	2.9
111.04342	0.9
117.03289	2.7
119.04874	1.0
121.02825	5.6
121.06432	1.4
122.03533	2.8
122.97411	3.0
123.00709	2.7
123.04395	26.3
124.01546	4.5
130.44305	0.8
131.04863	1.8
133.02827	14.5
134.03624	11.3
135.04398	58.1
135.11626	1.1
136.04709	1.9
137.02325	14.0
139.03874	1.0
144.30722	0.8
145.02841	10.8
147.04419	5.3
148.05144	2.2
149.02277	3.2
149.04993	0.9
149.05988	12.9
151.03879	4.4
153.12743	19.9
156.60588	0.9
157.02817	1.4
158.03552	1.3
161.02344	37.4
162.03174	3.7
163.03911	16.1
164.04243	1.0
165.12672	1.0
173.04419	1.2
174.03134	1.7
175.03917	66.8
175.10291	1.0
176.04327	2.5
177.05453	3.6
179.10764	1.2
194.02136	1.3
197.11725	3.2
198.02563	13.5
198.52708	1.2
211.03926	0.9
212.75690	0.8
226.06264	1.1
227.03401	1.1
239.03552	1.0
240.04294	1.0
241.04982	1.1
241.14482	1.5
243.06599	1.0
255.12224	1.7
256.53500	1.7
284.26620	1.2
285.04059	13.7
285.07608	100.0
285.13284	4.7
286.04642	1.1
286.07928	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	285.098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02547	0.6
58.00472	0.9
59.01241	100.0
59.02441	1.8
59.24561	0.7
62.74104	0.7
69.33628	0.6
71.01238	42.1
72.93345	0.7
72.99180	2.5
73.02803	1.7
79.01814	0.6
83.01253	1.5
85.02801	7.3
87.00745	2.4
89.02295	78.7
89.04519	1.0
89.63346	0.8
90.02642	1.0
93.03342	0.6
95.01257	2.2
96.95869	1.4
99.00735	0.7
101.02303	20.8
101.02949	1.3
113.02305	19.4
119.03380	26.1
119.04877	18.4
120.05228	1.3
120.99519	34.6
123.04398	4.8
131.03423	3.4
143.03407	3.3
145.72981	0.7
149.04465	1.4
161.04422	5.1
163.03928	2.9
168.15771	0.9
176.01144	1.3
179.05533	15.2
185.06110	1.2
198.55438	0.8
213.05614	0.9
225.16023	5.5
229.05179	1.5
241.05098	1.7
284.26886	2.4
285.04074	16.3
285.07126	1.6
285.10031	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1345
Annotation	Tensyuic acid E
Peak:m/z	Relative Intensity
51.67498	0.7
51.67732	0.5
55.74559	0.6
57.03315	1.3
59.01242	9.4
71.04887	0.6
77.54607	0.5
83.04865	0.5
94.53850	0.5
97.06449	1.9
99.08014	100.0
99.10678	1.7
99.55473	0.6
100.08366	2.0
101.02306	3.9
101.05943	1.6
107.04848	0.8
109.06468	2.7
111.08017	11.7
113.09593	0.9
119.27383	0.6
121.06435	2.4
123.08001	0.6
136.05190	0.7
139.11160	11.6
141.05482	1.0
149.13354	0.6
161.13237	3.4
167.14311	13.9
168.14581	0.7
176.61061	0.6
177.12813	0.6
179.14325	56.2
180.14665	2.4
193.12163	0.7
197.15471	4.3
205.12234	0.7
211.13341	3.2
221.15378	3.1
223.13354	7.5
227.12842	1.8
241.14432	70.0
242.14767	1.8
267.12476	0.6
285.04138	1.4
285.13440	56.5
285.16992	11.6
286.13727	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	285.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82198	0.8
54.41352	0.6
55.33114	0.7
57.03040	1.9
57.03316	34.0
59.00983	0.9
59.01245	15.0
62.00433	0.7
63.02243	0.7
65.43242	0.8
69.03326	5.2
71.01231	1.0
71.04875	1.1
72.99171	1.1
73.02769	0.9
81.03327	6.0
82.02822	1.0
83.01241	1.8
83.04878	42.0
84.05232	1.1
85.02786	0.9
85.04636	0.8
89.63301	0.7
89.92287	0.8
93.03330	4.3
95.04266	1.2
95.04879	16.4
96.05176	0.9
97.02790	3.5
97.06431	2.9
99.00737	0.8
99.04375	1.5
105.01762	1.4
107.04895	7.7
108.02046	0.8
109.02785	2.5
109.06477	4.8
110.02348	1.8
111.00725	1.1
111.04349	1.0
111.07998	2.2
113.03786	0.9
115.07508	1.3
116.07003	1.2
118.98000	0.8
119.04869	2.1
120.99502	1.6
121.02885	0.9
121.06442	2.6
121.12705	0.8
123.00731	0.9
123.04373	4.3
123.08035	6.3
125.05916	2.1
125.09590	2.2
128.03363	0.8
133.02786	1.8
133.06509	5.0
135.08034	64.0
136.08344	1.6
137.02316	2.9
137.05943	1.9
137.09621	4.2
139.03882	4.2
147.08041	6.6
149.05919	1.4
151.00201	1.6
151.03873	2.4
151.07433	1.6
153.09102	83.0
154.09422	2.4
160.06464	0.8
163.07582	1.1
165.09109	45.1
166.09402	1.6
166.99757	1.4
167.01633	1.7
169.01294	1.3
169.04915	4.1
175.03902	1.6
175.11188	2.6
179.07039	3.1
182.02081	2.8
183.10187	28.9
185.06010	1.3
193.12276	3.9
195.02910	2.9
197.02855	1.4
197.04428	4.7
197.08119	60.5
198.08485	3.4
199.03938	1.0
201.01978	1.1
209.08139	18.1
211.13319	0.8
223.13368	2.9
225.15944	0.8
227.09212	100.0
228.09612	4.0
229.05058	1.3
237.11229	2.6
239.10321	0.9
241.05190	1.7
241.14391	1.4
255.12401	3.2
257.04370	1.3
267.12402	5.8
285.04034	47.4
285.10870	1.3
285.13492	25.8
285.16681	1.7
285.20370	1.3
285.27213	1.0
286.04355	3.3
286.13431	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	285.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74868	0.3
57.03072	0.5
57.03318	5.7
59.01241	9.8
65.44276	0.6
69.03302	0.8
71.01217	0.5
71.04863	3.4
72.02047	0.4
73.02808	2.2
76.98668	0.4
81.03316	1.3
83.01228	1.2
83.04878	2.7
85.02799	0.6
85.06435	1.0
87.04375	0.7
93.03306	1.3
95.04898	2.2
97.06417	3.4
99.08011	100.0
99.10628	1.4
100.08347	2.4
101.02314	3.7
101.05941	1.5
107.01238	0.4
107.04884	1.7
108.22731	0.3
109.06452	12.0
110.02325	0.4
110.03587	0.4
111.04391	0.7
111.08015	12.0
113.05946	0.7
113.09579	8.2
117.26960	0.3
119.04881	0.6
121.06430	3.0
122.99106	0.4
123.04388	1.0
123.08017	1.1
124.05139	0.7
125.05943	1.7
125.09570	0.8
126.17162	0.4
127.07578	0.9
134.03600	4.0
135.04411	3.2
135.08026	1.1
136.05229	0.4
137.05908	0.8
137.09610	2.0
139.07526	2.2
139.11159	9.0
141.05455	1.0
141.09105	0.7
147.39792	0.4
149.13239	0.6
151.47443	0.4
153.09111	0.7
153.12843	0.7
155.10603	0.4
159.04440	0.4
161.13264	3.1
167.14316	8.5
169.15919	1.9
177.12717	0.5
179.14322	48.7
179.20631	0.7
180.14748	2.3
181.12297	0.6
183.06595	0.5
183.13766	0.5
189.12843	0.5
191.39114	0.4
193.12273	1.5
193.15948	0.5
195.13828	13.3
196.14261	1.0
197.15367	3.7
199.06036	0.8
203.14368	0.9
205.12262	0.7
205.15886	1.8
207.13815	4.0
211.13379	2.8
211.17003	0.7
221.15366	2.6
223.13364	5.7
223.16916	3.1
225.14981	2.4
225.18520	0.4
226.06348	0.4
227.12866	6.5
229.05048	0.5
239.16495	9.6
240.16769	0.8
241.14426	53.0
241.17888	1.9
242.14755	3.1
267.13239	0.5
267.16083	2.8
285.04095	12.7
285.13504	34.4
285.17111	95.5
286.04330	0.5
286.13901	1.3
286.17465	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	285.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37778	0.9
51.60212	0.6
55.01725	1.0
57.03310	2.6
59.01250	5.0
59.01498	1.3
66.10831	0.9
69.03311	1.9
69.89594	0.7
73.02784	1.0
79.77091	0.8
81.03313	1.4
83.04881	24.6
85.02823	2.1
87.00713	1.8
93.03283	0.9
95.04876	6.5
95.08530	0.9
97.02819	0.9
97.06448	23.0
98.03602	6.1
99.04385	1.0
99.08022	1.0
109.06476	4.3
111.08018	1.8
113.05936	5.1
120.99509	3.1
121.06420	1.1
122.83553	0.9
123.04341	1.5
123.08005	3.6
124.05147	4.5
129.05453	1.0
135.08018	1.4
137.02263	1.5
137.09607	9.7
138.06738	2.6
138.67535	0.9
139.06517	1.3
139.07535	18.1
149.09624	2.3
151.03816	1.0
153.09097	12.5
155.05638	1.3
155.10672	100.0
155.16225	1.4
156.11014	3.7
163.11195	1.4
167.10767	1.0
173.11749	1.5
177.12746	4.2
181.04985	1.6
182.05746	8.6
193.15898	2.5
197.08154	7.7
199.09763	4.4
203.14360	2.2
205.15923	14.3
223.17009	19.4
224.17389	1.2
241.10493	0.9
241.18028	2.5
249.14914	2.4
267.16055	14.8
285.04083	12.4
285.10272	1.7
285.13602	5.3
285.17068	63.1
286.13483	1.0
286.17343	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	285.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36782	0.9
51.37791	1.0
54.14438	0.9
57.03304	4.2
59.01241	15.5
60.23639	0.9
66.03334	0.9
68.41088	0.8
69.03312	2.1
71.01231	1.7
71.04872	5.0
73.02795	2.7
78.95762	4.1
79.05351	1.1
81.03322	3.2
82.02834	1.7
83.01235	1.9
83.04391	1.3
83.04877	22.3
84.04401	1.2
85.02797	3.9
85.06452	1.4
87.00726	35.4
87.01254	2.0
87.04378	1.7
88.01071	1.8
88.03893	2.8
89.01160	2.3
93.03313	3.7
94.02814	2.0
95.04872	7.7
95.08511	1.8
97.02834	1.3
97.06445	20.5
98.03583	5.9
99.04390	2.5
99.08014	1.0
101.02300	1.9
105.01783	1.3
107.01250	1.9
107.04879	4.1
109.02832	1.5
109.06430	4.3
110.02320	1.8
111.00738	1.1
111.04350	1.9
111.08055	1.5
113.05952	4.4
115.03880	1.1
120.99536	1.1
121.06425	1.9
123.04391	4.5
123.08025	5.0
124.05206	5.7
125.02335	1.2
130.08623	9.3
132.02890	3.2
133.06456	1.1
135.04399	2.3
135.08022	3.0
136.03998	1.3
137.02318	16.6
137.09593	9.4
138.06766	2.8
139.07518	17.9
140.10666	3.2
141.06836	1.1
149.09595	1.8
153.09102	9.9
155.10667	100.0
156.10986	2.2
159.25569	1.0
163.07494	1.5
163.11142	1.6
165.09100	1.4
167.03377	13.4
169.12251	2.0
173.09613	2.3
173.12103	1.0
177.12758	4.2
179.10556	1.4
182.05756	27.2
185.05971	1.3
191.10815	1.5
193.12369	1.3
193.15869	1.8
195.06528	1.5
197.08195	24.4
199.09602	5.3
205.12326	1.2
205.15889	10.4
207.13991	1.3
209.11646	1.3
211.13194	1.5
211.14801	1.4
218.95828	1.0
223.14575	3.1
223.16925	14.7
227.09261	1.5
227.12932	1.4
239.03720	1.2
241.14325	1.2
241.15843	1.8
241.18150	2.7
242.06679	3.4
249.11212	1.9
267.16022	11.1
274.86871	1.2
285.04095	45.5
285.10071	3.1
285.13974	19.4
285.17148	45.8
285.27103	1.8
286.04617	3.1
286.13217	3.2
286.17459	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	285.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.3
59.01236	0.5
60.43570	0.2
62.10537	0.2
83.01263	0.2
93.03323	0.2
95.04903	0.2
97.06459	0.8
99.08026	0.5
109.06448	0.5
111.08025	0.5
113.09617	0.2
113.82999	0.2
127.11175	0.7
134.58170	0.2
139.11122	0.3
141.12788	1.1
151.00264	0.4
155.14340	0.6
185.05995	0.3
185.11755	0.3
211.20622	0.5
221.19096	0.6
239.20155	0.9
249.18719	0.5
265.18130	1.1
267.19662	3.9
283.19211	0.6
285.04077	8.1
285.20724	100.0
285.33170	0.9
286.21066	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	285.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.6
59.01228	0.4
62.84012	0.3
62.84287	0.2
64.84427	0.2
66.17489	0.1
68.99429	0.2
68.99745	0.1
69.03269	0.1
71.26466	0.1
78.77567	0.2
78.95723	0.2
80.02502	0.1
81.59426	0.2
83.04897	0.1
88.51280	0.1
89.03881	0.1
90.79003	0.2
195.17450	0.5
203.02328	0.2
221.19012	0.5
223.11458	0.5
223.20627	64.4
224.20969	3.2
224.23177	0.2
241.21684	1.5
267.19666	37.6
268.19989	1.9
285.07474	0.9
285.20715	100.0
286.21063	5.0
286.24265	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	285.2072
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
79.25526	0.2
80.27263	0.2
80.47673	0.2
97.06441	1.3
99.08011	0.5
109.06461	0.6
113.09563	0.5
123.08027	0.2
126.56895	0.3
127.11163	0.6
133.77034	0.2
137.45915	0.3
139.11157	0.4
141.01999	0.2
141.12738	1.4
155.14285	0.5
167.14078	0.3
185.11870	0.4
211.20700	0.3
221.19078	0.4
239.20087	0.9
241.21721	0.4
265.18082	1.2
267.19684	4.1
283.19119	0.8
285.04089	2.3
285.07513	0.9
285.20718	100.0
286.21112	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	286.9899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83766	0.5
52.29044	0.6
57.19924	0.9
58.91916	0.7
59.01246	2.9
67.71803	0.5
68.99677	12.0
71.01225	3.5
72.99164	4.5
74.02345	0.6
78.95762	7.8
79.99568	0.6
81.03316	1.3
85.02808	1.3
87.00726	0.9
95.01170	0.6
96.95860	2.7
96.96828	12.8
96.99198	0.9
99.00745	1.8
99.04395	1.3
101.00768	0.6
109.02825	3.7
111.01870	1.3
112.98631	0.8
113.00822	4.9
117.00298	2.6
124.98508	0.6
125.00836	4.3
125.02313	2.0
126.98749	3.3
127.02417	3.3
127.03883	4.3
127.04987	1.7
128.03360	1.2
129.00327	4.8
141.00334	3.6
143.01875	4.2
145.06093	3.0
153.00452	1.1
153.01859	2.0
154.98260	15.9
155.01874	7.4
155.98373	1.0
156.02101	0.6
168.01427	12.6
168.99854	7.7
169.01326	1.2
171.01398	36.7
171.02892	13.2
172.01582	1.3
172.99312	1.8
180.99847	3.9
184.99283	0.8
186.02519	1.5
187.01025	0.9
189.03973	8.7
196.99358	100.0
197.99484	6.8
198.97444	0.6
199.00992	3.8
210.02533	18.7
211.02579	1.0
215.00488	1.4
224.98880	8.7
227.05174	6.5
228.03638	2.4
240.98436	1.3
242.98087	0.7
268.97925	34.9
269.98093	3.4
286.98993	18.8
287.02054	1.3
287.99155	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40476	0.3
57.26492	0.7
57.26737	0.5
59.09114	0.4
59.51593	0.3
61.78511	0.4
65.91257	0.9
65.91557	0.4
85.26743	0.4
100.39676	0.4
108.43279	0.4
115.05384	2.2
123.42787	0.4
131.04863	1.3
143.04909	6.0
154.04059	0.5
158.03613	2.0
159.04413	6.3
169.02859	1.2
171.04466	4.4
173.02345	0.4
182.03694	0.5
185.02336	0.6
186.03210	2.8
187.03928	44.3
188.04282	2.2
197.02277	2.1
198.03181	1.1
199.03929	7.8
211.78098	0.5
213.01851	2.6
214.02692	3.3
215.03439	21.7
216.03719	1.2
225.01855	0.7
226.02718	2.1
233.46111	0.4
241.01402	0.6
242.02103	2.4
243.02966	36.0
243.12640	0.5
244.03337	1.6
259.73444	0.4
263.77982	0.5
269.00952	0.7
287.01984	100.0
288.02280	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	287.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88164	0.2
61.78425	0.2
62.78651	0.2
65.91254	0.4
65.91537	0.4
78.49986	0.3
81.03287	0.5
86.10702	0.2
92.74899	0.2
93.03275	0.6
99.26549	0.3
102.36774	0.3
108.02021	1.6
109.02810	3.6
115.05367	0.6
121.02014	0.4
121.02816	4.5
125.02288	0.4
125.75478	0.2
131.04898	0.4
133.02783	0.3
135.04401	1.3
137.02271	0.3
143.04906	2.7
145.02731	0.5
147.04332	0.4
151.00197	1.0
152.01030	3.2
153.01825	3.7
155.04742	0.3
156.05672	0.4
157.02809	0.6
158.03555	0.9
159.04427	1.6
165.01904	0.4
169.02834	0.5
169.06447	0.3
171.04420	4.2
172.04956	0.6
173.02312	0.5
173.05971	0.4
177.05446	0.6
182.03622	0.4
185.02383	2.1
186.03207	1.5
187.03932	12.1
188.04265	0.4
189.01851	1.3
196.05389	0.4
197.02390	2.0
197.06023	0.7
198.03140	1.6
199.03917	2.7
200.01111	0.4
200.04459	0.3
201.01877	2.3
201.05515	0.6
202.06398	0.3
202.99750	0.9
213.00302	0.2
213.01868	9.2
213.05403	0.6
214.02625	3.9
215.03438	10.2
215.07028	0.7
216.03748	0.6
217.01370	1.1
224.04802	0.4
225.01860	1.1
225.05528	1.1
226.02678	9.7
226.06131	2.4
227.03094	0.9
230.05707	0.6
240.04146	0.3
241.01418	3.3
241.05003	0.9
242.02170	4.3
242.05753	1.5
243.02971	32.2
243.06573	6.0
243.13771	0.5
244.03372	1.6
244.07019	0.4
245.01048	0.3
247.44992	0.3
255.03154	0.3
257.01083	0.3
259.13409	0.5
269.00916	3.2
269.03772	0.4
269.11676	0.4
287.02011	100.0
287.05472	10.3
287.12723	4.7
288.02368	6.8
288.05783	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47714	0.4
57.26510	1.2
59.01240	1.5
65.91260	1.1
70.15430	0.5
72.99162	0.6
85.65384	0.4
96.95871	1.6
115.05395	2.4
116.86974	0.5
125.02351	1.5
128.96362	0.4
131.04898	1.6
135.24892	0.4
137.02324	1.6
143.04906	7.2
144.05162	0.5
145.72632	0.5
158.03589	2.3
159.04402	6.1
169.02855	1.3
171.04420	5.2
174.19710	0.5
175.03883	1.2
185.02362	1.4
185.05946	0.6
186.03114	3.3
187.03931	50.2
188.04259	2.3
197.02383	2.7
198.03015	1.3
199.03954	8.3
200.04320	0.7
203.03239	0.6
213.01851	2.9
214.02623	5.3
215.03441	25.8
216.03844	1.2
225.01874	0.6
226.02754	1.7
241.01414	0.6
242.02107	3.5
243.02965	41.0
243.13799	2.1
244.03239	1.2
246.01213	0.6
269.00906	0.6
272.03485	0.6
287.01987	100.0
287.10379	3.9
287.12939	1.2
287.60681	0.9
288.02332	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	287.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07246	0.6
53.07467	0.4
56.89882	0.4
59.01217	1.0
60.77835	0.4
68.77360	0.4
72.52272	0.4
73.91134	0.4
81.03281	1.5
87.43519	0.4
93.03282	0.8
95.01202	0.8
96.95865	3.0
108.02041	7.1
109.02817	11.6
113.05939	2.1
113.10005	0.5
115.05385	0.8
121.02760	1.2
123.00705	0.7
123.04308	0.7
125.02321	3.7
131.04893	0.7
135.04391	3.5
137.02184	0.5
143.04883	2.8
151.00261	5.9
151.94148	0.5
152.01039	17.2
153.01823	18.8
154.02129	0.8
158.03601	0.7
159.04454	2.3
163.03865	0.4
169.02766	1.0
170.03595	0.7
171.04414	3.5
173.02406	0.5
175.03925	0.7
176.75223	0.4
177.05486	1.1
182.03574	0.6
185.06056	0.4
186.03128	1.6
187.03932	15.1
188.04294	0.8
197.02385	2.5
198.03174	2.2
199.03918	4.6
213.01823	1.9
214.02695	4.9
215.03439	11.7
225.01909	1.6
226.02672	15.6
226.04903	0.8
227.03021	0.8
242.02193	7.6
243.02974	100.0
244.03374	5.4
287.01996	18.4
287.05261	1.0
287.18579	0.9
288.02292	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.041
Annotation	Furamizole
Peak:m/z	Relative Intensity
56.18410	1.3
57.03299	2.2
59.00987	1.3
59.01250	8.9
66.41624	1.3
69.03315	3.5
70.94425	1.3
71.01236	6.7
72.99165	45.8
73.02800	7.0
81.03314	3.6
83.01239	3.3
84.99168	13.1
85.02805	1.9
85.99953	12.5
87.00736	6.1
93.03311	4.5
95.01231	2.6
95.04855	3.2
96.88988	1.4
97.02831	3.9
99.00766	2.9
100.98662	20.6
103.00228	70.4
107.04906	2.9
108.02040	2.5
109.02818	14.1
111.04399	5.1
121.02843	6.5
123.00771	6.5
123.04404	6.5
124.01537	3.4
125.02311	58.5
125.03241	3.0
126.02644	3.2
127.71534	1.8
135.04399	2.2
137.02324	7.2
139.03867	13.1
141.01837	5.5
146.99236	100.0
147.99945	3.2
149.02376	2.1
150.02094	1.7
151.03883	6.5
163.03903	8.1
165.01776	2.0
167.03392	4.4
179.03407	6.5
181.05025	6.8
187.67598	1.6
197.04462	18.9
211.02466	3.7
213.04080	2.2
254.04312	83.5
255.04857	3.4
269.03073	7.0
287.04086	47.5
288.04370	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	287.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98992	1.5
56.99668	2.2
59.01245	7.1
65.11200	1.9
71.01237	5.1
72.99165	49.3
73.02806	6.0
81.03329	2.2
84.48058	1.8
84.99172	17.6
85.02818	1.9
85.99945	22.1
87.00729	8.0
91.72739	1.9
93.03320	3.7
95.04866	1.7
97.02826	2.3
99.00756	2.4
100.98666	22.1
103.00230	67.5
103.51046	1.9
108.02023	3.2
109.02824	11.3
115.33299	1.9
121.02840	4.4
123.00769	4.7
123.04383	4.3
124.05486	1.7
125.02278	11.5
130.99757	2.3
135.04469	2.6
137.02324	6.2
138.62524	2.0
139.03908	8.2
141.01828	3.0
146.99243	100.0
148.00005	9.4
151.03902	4.1
163.03854	9.8
164.04651	1.9
167.03340	4.2
169.05017	2.0
179.03479	5.0
181.04988	4.6
195.02975	2.3
197.04485	12.5
200.37102	2.0
219.41112	1.9
235.31671	2.0
254.04309	83.4
255.04892	7.4
269.03134	5.0
270.99356	2.1
287.04086	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	287.0561
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
54.87019	0.4
57.03318	11.4
63.02258	5.3
63.20803	0.4
64.99876	0.6
65.00188	8.0
65.03827	0.6
66.20203	0.4
68.12915	0.7
81.03329	2.7
83.01241	11.7
93.03322	2.2
95.01219	0.7
96.02025	0.8
107.01247	7.3
107.04893	1.3
109.02803	2.5
111.00761	0.5
116.76703	0.7
117.03382	0.9
121.02834	0.9
123.04401	2.8
124.01550	3.3
125.02316	100.0
125.05875	1.3
126.02667	1.4
131.04916	2.8
133.02834	3.6
134.03612	2.1
134.18318	0.8
135.04398	2.4
137.02322	0.9
143.04926	0.6
145.02812	0.9
145.06435	0.7
149.05960	1.5
150.03056	0.6
151.00264	15.2
152.01042	11.3
153.01825	4.5
155.04985	0.6
156.05684	2.1
157.06538	2.5
158.03612	0.9
159.04407	1.6
165.01828	1.5
169.01392	1.0
169.06503	1.0
169.31703	0.5
172.05217	1.6
173.05984	5.6
175.03888	1.0
176.01077	1.0
177.05486	18.7
178.99763	5.4
180.00548	2.5
183.94273	0.6
191.07152	0.8
197.05905	0.8
199.03880	1.1
199.07591	2.9
200.04784	0.8
201.05508	11.8
203.03485	1.0
213.05576	2.8
213.07523	0.5
215.07072	5.5
219.06674	1.8
225.05580	1.4
241.05078	2.0
243.06630	14.6
259.06131	84.4
260.06531	2.9
269.04608	5.0
287.05634	66.6
288.06186	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	287.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	13.5
59.01246	8.7
59.23160	1.3
63.02233	2.2
65.00180	7.1
69.62507	1.0
71.04880	1.2
73.02794	2.5
81.03310	4.5
83.01244	10.3
83.04863	4.4
85.02805	2.8
87.00729	1.1
91.72810	1.3
93.03315	5.1
97.02811	1.3
97.06444	4.0
98.06838	1.4
99.04375	1.7
101.02314	1.7
101.29637	1.1
102.65636	1.2
107.01261	5.7
107.04935	1.9
109.02799	2.6
111.04371	1.5
113.02285	1.2
113.05924	1.5
115.03849	3.1
121.02836	1.4
123.04400	3.0
123.07958	1.3
124.01525	4.5
124.98497	1.2
125.02313	100.0
125.05859	1.4
126.02654	1.3
127.07552	1.1
131.04900	2.9
133.02798	2.9
134.03624	2.0
137.02312	1.3
137.09709	1.6
139.07532	1.6
140.07849	1.3
140.47806	1.2
149.05998	1.4
151.00238	11.3
152.01050	11.5
153.01843	2.9
154.78130	1.3
155.10648	4.5
156.05676	1.6
156.11005	5.9
157.06541	2.8
159.04376	2.1
170.23270	1.3
172.05188	2.2
173.05991	5.1
177.05479	16.5
178.99734	6.3
180.00523	1.8
187.07619	1.8
199.07501	3.1
201.05525	7.6
213.05502	1.5
215.07095	5.3
219.06599	2.7
220.47002	1.4
224.17375	1.2
225.05612	1.7
241.04913	1.4
243.06641	13.2
259.06125	82.3
260.06354	2.6
269.04529	4.8
286.17459	3.5
287.05594	56.8
287.11942	1.7
287.14978	15.2
287.17969	3.1
288.05942	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	287.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93636	0.2
59.01237	0.4
64.11226	0.2
65.91290	0.2
65.99709	0.5
67.01745	0.6
69.03302	0.5
72.72403	0.2
79.01758	0.4
80.02524	0.7
80.68150	0.3
81.03310	3.7
91.72752	0.3
93.03323	0.4
94.06635	0.2
95.01245	1.2
102.08583	0.2
107.01233	1.6
108.02033	11.2
109.02817	19.6
110.03172	0.6
115.05422	0.7
117.03304	0.5
121.02843	0.5
123.00742	1.6
125.02309	4.4
131.04936	0.7
134.03625	0.3
135.03444	0.5
135.04399	6.2
136.04732	0.4
137.02296	0.5
143.04900	2.8
144.02017	0.2
145.02838	2.0
147.04414	1.0
151.00262	10.2
152.01044	30.6
153.01828	33.7
154.02161	0.9
154.04155	0.3
155.04919	0.6
158.03580	0.4
159.04411	1.1
163.04085	0.3
169.02853	1.1
171.04420	3.5
173.02272	1.6
173.04568	0.5
173.05942	0.3
175.03929	0.4
182.03658	0.7
187.03934	3.4
197.02367	1.8
198.03175	1.5
198.55487	0.3
199.03967	2.7
201.01849	0.4
214.02661	2.1
215.03471	3.3
216.03865	0.2
217.05031	0.3
225.01958	0.5
225.05533	0.4
226.02669	3.6
227.03392	0.3
242.02197	2.0
242.93001	0.9
243.02974	100.0
244.03308	5.9
259.02402	0.5
269.04581	1.0
272.06412	0.3
287.02011	25.9
287.05389	1.9
288.02347	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	287.0562
Annotation	2,7-Dihydroxy-1,8-dimethoxyxanthone
Peak:m/z	Relative Intensity
50.65692	0.2
51.97359	0.2
52.22850	0.2
52.32124	0.2
59.11308	0.3
60.60089	0.4
62.28342	0.2
63.89448	0.3
65.71881	0.3
65.94182	0.2
66.08913	0.4
67.85166	0.4
69.44337	0.2
101.03794	0.3
125.02307	0.3
131.04964	0.3
137.02354	0.6
143.04916	0.9
147.04396	0.9
157.02849	0.7
158.03621	0.3
159.04390	0.9
161.02357	1.0
171.04413	0.6
173.02339	0.3
173.99449	0.2
175.03893	2.0
185.02348	7.3
186.02950	0.5
186.06804	0.3
187.03923	5.6
188.04410	0.4
189.01875	0.6
197.59584	0.3
199.03960	1.2
201.01854	2.9
201.87254	0.3
213.01953	0.8
214.02652	0.7
215.03450	2.2
216.03952	0.4
226.02663	0.5
228.92111	0.7
229.01384	64.1
230.01724	2.3
241.01314	0.4
242.02077	0.6
243.02974	10.2
243.13918	0.5
244.03497	1.1
255.02924	0.4
256.89795	0.9
257.00909	100.0
258.01242	5.1
269.00735	0.4
271.02499	9.8
272.03268	59.1
273.03580	3.4
287.02057	9.6
287.05579	70.3
288.02722	0.6
288.05923	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0771
Annotation	Dianthoside
Peak:m/z	Relative Intensity
57.03316	6.7
59.00975	0.3
59.01244	4.4
69.03306	0.7
71.01241	1.5
71.96101	0.3
72.99165	3.4
73.02795	0.8
81.03314	3.3
83.01243	14.6
84.99165	0.6
85.02792	0.7
85.99908	0.4
87.00726	0.4
93.03297	0.3
95.01250	0.6
95.04902	0.3
97.02814	1.2
99.00731	0.4
100.98655	1.6
101.02321	0.7
103.00232	4.9
109.02821	1.1
111.04403	0.4
113.02293	0.7
114.05457	1.1
121.02814	1.0
123.00747	1.0
123.04376	0.7
124.01559	2.6
124.98388	1.1
125.02316	100.0
125.05758	1.0
126.02660	2.5
135.04419	0.3
137.02319	0.8
139.03879	1.5
141.01845	0.5
146.99243	4.9
149.02328	4.2
151.03925	0.4
160.85646	0.3
161.04445	0.5
163.03879	0.4
167.03415	0.9
179.03404	0.5
186.38339	0.3
196.99316	0.3
197.04419	1.6
234.39111	0.3
254.04323	4.0
274.79962	0.2
278.88287	0.3
287.04169	2.5
287.07477	0.6
288.07520	0.3
303.03998	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28856	0.2
57.03296	0.8
57.71162	0.2
59.01218	0.7
59.65296	0.2
59.76151	0.2
64.81600	0.2
65.00183	2.1
65.93070	0.5
65.93374	0.3
78.42728	0.4
79.21738	0.2
81.03317	10.9
83.01239	2.7
93.03307	0.6
95.01211	0.6
101.30276	0.3
106.04080	0.7
107.01254	2.4
108.02096	0.3
109.02818	0.7
110.21400	0.2
117.03258	0.2
119.04092	0.4
119.04900	6.2
121.02796	0.8
122.02776	0.5
122.03607	5.7
124.01530	2.9
125.01468	0.5
125.02317	7.1
132.05632	0.3
135.04388	1.1
137.02281	0.7
138.03052	0.5
143.04913	0.7
145.02812	0.4
145.87340	0.2
146.03584	0.4
150.37857	0.2
151.00261	9.4
151.03865	0.3
152.01038	6.3
153.01697	0.3
157.06490	0.7
158.07233	0.4
161.05962	1.1
165.01869	1.0
166.02620	15.2
167.02983	0.4
171.04402	0.8
172.05225	0.3
175.03915	0.5
177.09148	0.7
179.03427	0.8
179.07040	0.4
185.05978	3.4
186.06818	3.5
187.03938	0.8
188.04689	3.2
199.07599	2.0
200.08318	1.0
201.09166	1.4
203.07079	3.3
209.06032	0.6
210.06779	0.7
212.04684	0.3
213.05576	1.3
215.03455	0.3
225.09143	0.8
226.06305	0.9
227.07109	1.9
228.07884	3.0
229.08156	0.3
243.10255	32.4
244.10625	1.6
253.05109	1.2
254.05849	2.7
269.08179	2.9
272.06815	2.3
286.95874	0.8
287.02759	2.0
287.09271	100.0
288.09622	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	287.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.9
61.98663	1.0
65.00178	2.4
72.13290	0.9
83.01231	12.4
85.65395	0.8
86.45499	0.8
87.12112	0.9
89.00198	1.1
93.03315	14.9
95.01218	1.7
97.02810	1.2
124.01534	11.6
125.02315	3.7
131.36758	0.8
137.02330	1.9
137.05956	1.1
138.03085	5.0
139.03870	2.6
151.00238	1.8
152.01045	14.1
165.01814	5.8
166.02612	37.9
167.02953	0.8
171.04370	0.9
175.03934	1.6
177.01881	2.1
178.02640	2.6
179.87141	0.9
181.04976	100.0
182.05327	2.8
186.06665	1.2
187.03905	5.9
189.05542	2.0
193.04991	19.1
199.03920	1.4
208.08521	0.9
214.10321	0.9
215.03503	2.9
226.06456	2.3
243.02994	4.8
254.05782	2.3
269.08142	1.3
287.02094	13.1
287.09299	41.0
287.12732	3.6
287.22305	1.7
288.09653	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	287.0927
Annotation	Aristogin E
Peak:m/z	Relative Intensity
52.90360	0.3
53.23645	0.3
59.01240	0.9
63.59821	0.3
65.03822	0.5
67.85722	0.4
68.47340	0.3
91.41235	0.3
92.02525	4.2
93.00896	0.9
93.03317	70.1
94.03654	1.2
94.12878	0.3
95.01235	3.0
95.25474	0.3
102.96802	0.3
107.99046	0.4
108.02032	34.0
109.02858	0.7
111.00700	0.4
120.02038	5.7
121.02821	0.8
122.03632	2.7
123.00776	0.6
124.01536	0.7
125.02312	0.9
134.03656	0.3
137.02309	0.8
142.24001	0.3
143.04942	1.6
148.01556	6.5
149.02325	1.0
151.03810	0.4
153.01921	0.6
153.05453	2.8
158.03607	0.4
159.04420	1.5
163.03906	9.5
171.04413	0.8
186.03114	0.8
187.03934	9.1
188.04311	0.4
197.02325	0.5
199.03908	1.9
202.02702	0.5
213.01897	0.6
214.02663	0.9
215.03476	5.4
216.03802	0.4
217.04996	0.9
226.02516	0.3
228.00597	0.4
241.14679	0.4
242.02098	0.5
242.05826	7.2
243.02968	8.5
243.06412	0.5
243.16171	0.4
244.03354	0.8
256.97018	1.0
257.08194	100.0
258.08514	5.8
287.02026	21.0
287.05615	0.9
287.09244	22.6
287.14883	2.0
287.18079	0.6
288.02325	1.4
288.09573	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	287.2228
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
57.90543	0.2
64.30361	0.2
68.95822	0.2
79.15276	0.3
86.22197	0.3
98.24451	0.3
99.08006	1.0
129.09047	0.7
141.12721	1.6
155.14305	0.6
159.53777	0.3
173.63190	0.2
185.00745	0.3
241.21678	0.8
269.21268	3.7
285.20697	1.5
287.09680	0.9
287.22290	100.0
288.22614	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	287.2228
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
54.64545	0.4
59.01242	2.0
60.19527	0.3
65.15200	0.4
65.67810	0.6
70.97008	0.3
72.99160	0.5
75.70739	0.3
78.83243	0.3
91.73300	0.5
93.03310	0.5
109.50230	0.4
114.05479	0.9
119.74845	0.3
124.01546	0.4
125.02306	2.9
141.54771	0.4
211.20616	10.3
212.20975	0.6
220.37540	0.4
227.78459	0.4
237.18536	0.4
239.20139	7.3
240.20374	0.4
241.21704	21.0
242.21985	0.8
269.21378	0.6
287.04614	1.0
287.22290	100.0
288.22614	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	287.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.1
57.10463	0.1
59.01238	0.2
60.05787	0.1
70.70807	0.1
81.79240	0.1
91.73281	0.2
111.08017	0.4
113.09587	1.6
119.77368	0.1
123.08035	0.2
125.09612	0.5
127.11169	2.3
141.09102	0.2
141.12738	0.4
143.10658	1.2
155.10605	0.2
158.31184	0.1
181.76494	0.1
211.20576	0.2
223.20622	0.3
239.20203	0.7
241.21698	1.5
251.20093	0.2
267.19745	0.2
268.01401	0.1
269.21210	2.9
270.21573	0.2
285.20755	1.4
286.21298	0.2
287.22290	100.0
288.22626	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	288.1606
Annotation	Mesembrine
Peak:m/z	Relative Intensity
53.14188	0.4
53.68204	0.3
59.01225	1.2
59.67426	0.3
62.56146	0.3
81.03313	1.4
92.04957	1.0
93.03320	1.5
102.82645	0.4
103.21229	0.3
108.02029	0.6
108.04420	5.0
109.02811	5.8
121.02805	0.6
124.01540	0.5
134.02357	37.8
134.06613	0.5
135.03159	8.4
136.03926	34.2
136.08156	0.6
137.02278	2.0
137.04268	0.9
141.05048	0.4
148.03902	1.0
149.04732	1.3
176.03397	3.8
177.04112	0.6
190.05048	0.5
201.01826	0.5
205.79515	0.5
229.01309	0.5
273.00391	0.6
288.16077	100.0
289.16498	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	289.033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.2
63.37268	0.1
65.79202	0.1
71.01237	1.0
73.02795	0.3
74.97517	0.2
78.95758	6.3
81.03300	0.3
83.04880	0.3
85.02805	7.7
87.00732	1.1
93.03312	3.0
96.94316	0.3
96.95834	0.8
96.96819	16.6
99.00741	0.3
99.04376	0.3
101.02275	0.3
106.70603	0.2
109.02802	0.7
111.04365	0.9
113.02370	0.2
113.32702	0.2
115.00252	1.1
116.07024	0.3
121.48828	0.2
127.03879	1.9
128.03416	0.8
137.02338	0.2
138.97913	0.7
142.33142	0.2
142.99721	0.7
155.03442	0.2
171.02835	0.6
173.00789	0.7
173.04468	1.3
190.98831	1.0
191.05536	100.0
192.05875	4.4
199.00067	0.7
289.03415	1.3
313.87869	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	289.033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64109	0.2
59.01237	1.0
67.01753	0.2
69.03330	0.2
71.01242	0.9
71.56416	0.2
74.97505	0.2
78.95761	4.7
78.97769	0.2
81.03346	0.3
83.04861	0.3
85.02804	7.6
86.11359	0.2
87.00733	1.8
93.03319	2.5
96.95851	0.7
96.96822	11.1
96.99586	0.2
99.04424	0.2
109.02797	0.5
111.04363	0.9
127.03884	1.9
138.97905	0.3
171.02887	0.7
173.04424	1.0
175.01038	0.3
190.98920	0.9
191.05539	100.0
191.13173	0.8
192.05875	2.5
199.00055	0.8
204.65839	0.2
217.01939	0.3
258.44873	0.2
289.03308	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	289.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.9
59.01245	17.0
67.01754	3.6
71.01244	6.2
71.10043	2.9
72.99165	90.2
73.02798	9.9
75.00730	7.3
81.03324	6.5
81.14212	3.0
83.04877	10.3
83.50138	2.6
84.99166	9.3
85.02840	6.0
85.99956	6.0
87.00735	82.7
91.05396	6.3
93.03304	16.3
95.04877	6.9
96.95880	6.0
97.02802	7.2
100.98656	12.7
103.00235	40.5
107.04893	18.6
108.02048	17.8
109.02814	17.5
111.00751	8.6
111.04391	12.0
113.02334	3.8
117.03366	4.2
119.04908	9.3
121.02805	24.2
122.03615	14.1
123.00743	17.4
123.04392	64.2
124.01511	16.2
125.02287	6.5
125.05940	4.5
130.99748	28.2
133.02853	3.9
134.03613	3.8
135.04424	10.1
137.02368	5.8
137.06036	6.0
139.03920	16.3
146.99239	37.8
147.04379	22.9
149.02338	8.4
149.05989	28.6
151.03896	8.6
163.03935	25.2
163.12956	3.1
165.05466	41.2
165.31476	3.1
167.03400	5.7
177.05461	8.6
179.03458	8.9
181.04965	26.7
197.04512	3.4
199.01610	20.8
239.05566	84.6
240.05997	4.6
242.71991	3.6
255.05017	21.5
271.04559	9.9
289.01236	20.6
289.05630	100.0
289.10431	4.0
289.14224	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	289.0718
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
50.80058	0.7
55.86261	0.7
57.03304	3.8
57.16614	0.8
64.85480	0.6
65.31042	0.6
65.70727	0.6
71.01312	0.8
74.55138	1.0
75.73430	0.7
79.49339	0.9
81.03320	4.8
83.01255	5.0
89.32132	1.0
93.03294	2.5
95.04890	7.9
96.38419	0.8
97.02813	11.0
108.02016	1.7
109.02811	42.5
110.03111	1.0
121.02847	4.8
122.03610	3.5
123.04395	31.0
125.02305	26.5
135.04414	2.6
137.02321	15.3
138.03117	1.6
139.03885	7.1
145.02800	2.4
146.03619	2.8
149.02316	7.4
150.03094	2.6
151.03914	15.4
159.04381	4.2
160.05188	2.6
161.02277	1.4
161.05965	8.9
162.03096	2.6
163.03885	1.5
164.01064	5.3
165.01811	5.5
166.02528	1.1
167.03378	2.8
173.05991	2.7
174.03120	1.1
175.03882	3.5
175.07539	3.7
179.03427	9.3
185.06026	2.1
187.03934	6.0
188.04716	5.8
201.05476	1.8
202.06277	3.3
203.07063	19.7
205.05005	13.0
212.04694	1.3
217.08908	1.3
221.08176	5.8
226.06421	1.3
227.07156	3.7
245.08180	32.4
246.08566	2.3
247.06001	2.3
265.90784	0.9
271.06277	2.2
289.07190	100.0
290.07495	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	289.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.7
58.92841	0.3
60.41828	0.4
60.54820	0.3
66.42793	0.5
67.01736	0.4
69.03306	1.0
75.41553	0.3
80.02518	1.0
81.03308	4.8
83.01239	5.1
93.03314	2.7
95.01231	1.3
95.04883	8.2
97.02804	11.9
99.04387	0.9
107.04867	0.6
108.02039	1.9
108.99660	0.5
109.02811	46.9
110.03144	1.1
111.04412	0.6
117.03320	0.7
121.02808	6.3
122.03610	2.4
123.00690	0.5
123.04385	33.6
124.04737	0.7
125.02312	28.9
125.05856	0.5
126.02608	0.7
133.02818	1.2
133.06436	0.7
135.04379	3.9
137.02321	15.5
138.03062	1.5
139.03899	6.2
143.04904	0.6
145.02834	2.5
146.03658	2.1
147.04375	1.4
149.02325	7.5
149.05972	0.5
150.03145	2.5
151.03893	16.6
152.04259	0.9
157.06410	0.9
158.03586	1.1
159.04408	5.2
160.05199	3.1
161.02376	2.4
161.05960	7.4
162.03105	2.5
163.03917	2.6
164.01051	5.8
164.04602	0.4
165.01826	6.1
166.02554	0.7
167.03423	2.6
173.02292	0.5
173.05917	1.8
174.03123	1.6
174.06709	0.6
175.03909	3.8
175.07556	3.5
177.05478	1.1
179.01880	0.7
179.03409	10.7
184.05244	0.7
185.04427	0.4
185.05986	1.9
185.07481	0.5
187.03931	8.1
188.04710	6.5
189.05225	0.4
199.07591	0.9
201.05504	1.9
202.06299	3.7
203.07076	20.5
204.07420	1.0
205.04991	13.0
206.05350	0.5
212.04730	1.3
215.07182	0.4
217.05084	0.7
217.08710	1.1
221.08124	7.4
227.07104	3.1
229.05095	0.5
230.05772	1.5
231.02927	1.5
245.08171	32.7
246.08513	1.9
247.06171	1.9
271.06171	1.7
289.07190	100.0
290.07492	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	289.1656
Annotation	oscr#14
Peak:m/z	Relative Intensity
56.96379	0.8
57.03317	5.4
58.00456	1.3
59.01240	14.5
59.74701	0.9
64.78486	1.0
68.49677	0.9
69.03308	2.1
71.01234	2.8
81.03310	12.1
83.01244	2.7
83.04853	5.2
85.02806	3.1
85.06434	2.2
87.04375	3.6
90.98426	1.1
97.02814	2.8
97.55295	1.1
99.04375	22.9
99.08002	4.0
101.02303	70.7
108.05653	1.7
109.06458	4.3
111.04364	2.4
112.92324	1.1
113.02251	1.5
115.03853	4.9
121.06466	1.6
123.08078	1.5
129.05464	1.2
131.03383	12.3
139.11110	2.6
143.03392	4.1
149.05969	2.3
151.07582	1.5
151.11166	22.5
153.05518	2.1
167.06955	1.5
169.12244	3.3
173.13396	1.5
182.93800	1.3
191.14371	4.3
209.15430	1.8
227.16443	6.2
229.14407	18.4
235.13364	4.8
251.49796	1.1
253.14482	17.3
254.01033	1.1
271.15512	23.5
289.16589	100.0
290.16898	3.4
295.76575	1.6
308.23389	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	6.0
57.03310	5.8
58.00451	1.4
59.01242	57.1
61.13765	1.5
63.14290	1.3
68.77544	1.4
69.03293	1.5
70.11157	1.3
70.99551	1.5
71.01240	100.0
71.04870	2.9
72.99165	2.2
73.02805	36.6
73.13371	1.6
75.00745	1.7
83.01241	17.8
85.02293	3.0
85.02807	58.8
87.00748	4.6
89.02309	7.3
95.01230	7.7
97.02801	3.8
99.00727	12.5
101.02305	77.0
113.02309	44.4
125.02340	2.5
125.39708	1.4
127.11171	4.2
129.01878	1.5
138.76782	1.6
143.03413	3.3
159.02823	10.1
161.04442	25.0
173.68643	1.7
245.15544	2.4
274.04843	2.8
277.76889	1.9
289.14429	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03065	0.6
57.03315	5.8
58.00454	1.9
59.01242	18.4
65.01347	0.4
67.56326	0.4
69.03313	3.0
70.87641	0.4
71.01251	3.9
71.04889	2.9
72.99157	0.5
73.02801	1.6
75.28105	0.5
81.03310	11.8
83.01233	4.0
83.04875	2.5
84.02019	1.0
85.02790	3.0
85.06439	1.2
87.04370	3.4
91.73289	0.7
97.02810	3.4
97.06445	1.3
99.04375	22.0
100.99636	1.3
101.02300	67.4
101.05926	0.6
102.02655	1.2
107.08527	0.7
109.02842	1.0
109.06483	0.6
111.08021	0.6
112.90218	0.5
113.02303	2.5
115.03873	15.8
116.04202	0.6
125.02325	0.9
131.03377	10.9
139.11162	1.9
143.03377	2.2
147.04526	0.4
151.11145	0.9
154.57500	0.5
161.13245	4.8
162.44557	0.6
169.12247	4.8
179.10652	0.8
179.14307	0.7
181.12312	0.7
185.11778	0.8
189.12839	0.8
191.14317	2.8
193.85515	0.5
197.11722	4.2
207.13882	1.5
209.11862	0.9
209.15408	3.3
209.17241	0.6
218.89149	0.5
225.14952	0.7
235.13344	10.2
253.14445	20.9
254.14653	1.3
271.15527	28.2
272.15863	1.6
289.16580	100.0
290.16891	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	289.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43551	0.9
55.01729	1.0
57.03309	5.8
58.00457	2.6
59.01242	41.2
59.25249	1.0
65.66679	0.9
69.03317	4.0
70.72775	1.2
71.01243	9.7
71.04879	5.5
72.99151	1.4
73.02793	2.5
74.47704	1.2
81.03320	20.1
83.01238	3.7
83.04887	3.9
84.02035	2.2
85.02814	7.7
86.74091	1.2
87.00738	2.2
87.04331	1.3
93.03350	1.2
97.02804	9.1
97.06436	1.6
99.04372	40.0
101.02293	31.6
107.08553	1.1
109.02819	4.6
109.06487	1.3
111.10057	1.1
113.02282	1.9
114.05472	1.5
115.00256	1.4
115.03869	26.8
116.07056	3.0
123.08056	1.4
125.02320	2.6
125.09630	1.5
128.03404	2.5
131.03357	9.1
132.22778	1.4
139.11237	1.7
143.03381	4.9
144.04167	1.3
161.13248	4.2
169.12285	4.1
173.04471	3.5
185.11768	2.5
191.14325	4.7
197.11795	3.1
207.13863	2.3
209.15317	6.3
227.16473	1.6
235.13351	11.7
236.13777	1.3
245.08282	2.4
253.14444	32.5
271.15506	34.9
272.15976	1.9
289.07220	2.9
289.16589	100.0
290.16959	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	289.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.8
57.03310	6.1
58.00462	2.0
59.01241	24.8
69.03305	3.8
71.01237	5.0
71.04869	8.5
73.02800	2.1
81.03310	15.1
82.62342	0.8
83.01232	1.5
83.04872	2.0
84.02051	1.4
85.02813	3.9
85.06470	1.6
87.04378	5.7
93.03323	0.9
95.04887	1.4
97.02797	5.3
97.06451	2.3
99.04369	33.4
100.99699	1.0
101.02298	71.5
101.05930	1.0
107.04889	1.5
109.02812	1.9
109.06491	1.2
113.02305	2.7
113.05946	1.5
113.09618	1.0
115.03870	16.3
116.04222	0.9
119.04881	1.0
119.08531	16.4
123.04424	0.9
125.02289	1.2
125.09605	1.2
125.39709	0.8
131.03372	13.9
134.07240	1.3
135.08043	1.1
137.09578	8.9
143.03383	3.6
145.06505	2.2
151.11171	1.6
158.78830	1.0
163.07536	17.4
169.12279	1.6
181.08633	12.9
185.11629	1.1
191.14291	1.1
199.09644	2.3
209.15324	0.9
235.13361	2.2
253.14449	4.9
271.15512	27.7
272.15829	1.9
289.16577	100.0
290.16843	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	289.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	6.2
58.59826	0.6
59.01239	17.3
60.51954	0.5
67.04845	0.6
69.03304	2.7
71.01234	4.2
71.04871	2.8
72.99162	1.0
73.02786	1.2
81.03306	10.5
83.01233	2.9
83.04868	2.7
83.29905	0.6
84.01981	0.8
85.02792	3.1
87.00723	0.7
87.04366	3.0
90.98444	2.0
94.08652	0.6
97.02808	4.3
97.06434	1.8
99.00742	0.7
99.04373	19.3
100.04707	0.9
100.99471	0.9
101.02299	60.0
102.02634	1.5
109.02810	1.0
109.06423	0.6
111.08043	0.8
113.02292	3.0
115.03870	14.6
116.07074	1.0
125.02302	1.5
125.09573	2.3
131.03375	10.1
132.00520	0.7
133.96474	0.6
135.08046	2.0
143.03357	2.4
147.11668	8.2
158.03334	0.8
163.11307	0.7
165.12671	1.3
169.12216	4.3
179.06944	0.9
185.11847	1.2
191.05432	0.8
191.14343	2.4
194.34558	0.7
197.08211	3.3
197.09763	0.6
197.11751	2.9
207.13824	1.7
209.15457	2.7
215.95502	0.8
230.25793	0.7
235.13336	8.1
253.14445	15.1
261.22229	0.7
271.15518	23.2
272.15811	1.7
289.07504	2.5
289.16580	100.0
290.16882	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	289.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	6.2
57.03302	4.4
59.01241	58.4
59.97806	1.3
69.03310	1.8
71.01237	100.0
71.02832	1.7
71.04874	2.5
72.44254	1.3
72.99119	1.6
73.02803	37.4
75.00728	3.2
76.04926	1.3
83.01241	20.7
85.02806	53.7
86.30716	1.3
87.00733	3.2
89.02306	8.9
91.04291	1.3
95.01254	7.6
97.02814	1.6
99.00736	19.6
101.02301	71.5
111.00766	1.7
113.02309	48.8
113.03104	2.8
115.03912	1.8
119.03354	2.1
125.02332	3.0
127.11164	6.5
129.01788	2.3
133.06468	4.1
143.03429	3.1
159.02872	7.7
161.04466	25.2
171.57979	1.5
201.05347	1.7
217.78343	1.4
219.13560	8.2
227.14308	1.6
233.11633	2.0
235.79886	1.5
245.11519	7.4
245.15483	4.7
257.92224	1.5
271.13452	1.7
289.11102	7.7
289.14453	8.0
289.17178	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	289.181
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.57853	0.2
55.61197	0.1
58.46733	0.2
60.44051	0.4
66.45352	0.2
75.60347	0.2
97.06413	0.5
101.05925	0.8
106.04083	2.7
107.04881	3.1
107.83958	0.2
109.02110	0.3
109.02811	4.1
113.09560	0.5
117.85308	0.2
121.02828	0.4
122.03606	2.4
134.03554	0.2
137.02232	0.2
144.05719	0.5
146.73636	0.2
148.05148	0.7
149.05980	0.5
153.02054	0.2
155.14296	0.9
160.47047	0.2
161.05959	1.4
173.09456	0.2
175.03923	1.4
185.05975	0.4
187.11180	1.1
189.09114	0.2
191.10648	0.9
203.10797	0.5
205.04619	1.0
205.12274	100.0
206.12617	4.2
212.51305	0.2
217.08534	0.2
271.16995	0.4
289.18100	30.9
290.18457	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	289.181
Annotation	CHEBI:69973
Peak:m/z	Relative Intensity
51.62984	0.3
56.71733	0.4
59.01211	0.4
65.03809	0.5
66.45522	1.1
66.45880	0.8
68.93802	0.4
79.88034	0.4
84.20103	0.4
91.72726	0.4
92.02538	2.6
93.03281	1.2
95.01237	0.8
96.37530	0.4
106.04102	8.2
107.04887	29.6
108.02016	1.4
108.05177	1.0
108.38021	0.4
109.02787	0.5
119.04100	0.7
119.04890	9.7
120.05707	0.5
121.02819	8.6
196.52852	0.5
210.51892	0.6
216.98149	0.4
245.19089	100.0
246.19449	6.3
259.30670	0.4
262.04382	0.4
287.47925	0.4
289.18106	77.7
290.18475	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	291.0148
Annotation	Phyllanthusiin E
Peak:m/z	Relative Intensity
50.55078	0.5
55.85276	1.7
55.85537	0.7
59.01241	0.8
61.98679	0.6
67.01743	0.8
71.01232	1.0
91.01733	0.5
91.05373	0.6
93.03329	1.3
95.01254	2.6
102.04607	3.2
103.05404	6.9
105.03307	0.7
107.01286	0.6
108.08861	0.5
108.24847	0.6
115.05392	7.7
117.03298	0.9
119.01225	1.0
119.04900	2.3
121.02859	0.6
121.06472	3.4
123.89394	0.5
127.04995	1.2
130.04114	13.6
131.04907	16.2
132.02023	0.9
133.02831	7.7
137.02324	0.6
146.03644	0.6
147.00687	0.7
147.03368	0.8
147.04414	8.9
148.01537	0.6
149.02321	1.1
157.02821	0.6
158.03638	10.1
159.04414	65.7
160.01579	1.4
160.04758	2.5
161.02336	8.0
163.00247	1.5
173.02296	1.0
174.03156	2.3
175.00299	3.9
175.03908	20.8
176.01067	1.0
177.01826	4.5
185.02321	1.3
188.99594	0.7
191.03462	4.7
203.03439	100.0
204.03773	5.4
205.01413	1.4
219.02934	6.2
229.01384	1.1
247.02466	95.8
248.02785	4.2
289.45462	0.6
291.01587	4.3
291.04913	0.8
293.79013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0664
Annotation	2,5-Dihydroxy-3,6-diphenyl-1,4-benzoquinone
Peak:m/z	Relative Intensity
59.01221	0.3
59.73134	0.2
62.64155	0.2
68.51672	0.2
69.13296	0.6
69.13707	0.4
93.03293	0.5
94.93723	0.2
103.97311	0.2
117.03303	0.4
121.02805	0.7
129.03316	0.3
143.04909	0.2
147.04338	0.2
148.75818	0.2
179.08510	0.2
180.05659	0.4
193.06546	0.3
204.05675	0.2
205.06482	0.6
206.07289	2.7
207.08055	1.1
208.05257	0.7
217.06505	0.6
217.96729	0.2
219.04442	0.3
219.08153	0.2
221.06018	0.9
222.06798	1.2
232.05168	0.2
233.06018	3.1
234.06825	5.0
235.07574	4.4
236.07941	0.2
245.06097	0.3
246.06856	0.2
247.16989	0.3
247.20674	0.3
254.05876	0.3
261.05585	0.5
262.06400	2.9
262.96246	0.9
263.07141	100.0
264.07477	6.7
291.06644	86.1
292.06985	6.9
292.09604	0.2
292.15894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68993	0.7
59.01238	1.3
59.13331	0.7
60.29236	0.8
63.96105	0.8
69.03287	0.7
71.30133	0.6
87.00739	10.4
93.03296	1.1
95.57094	0.7
102.98453	1.8
120.99520	74.6
121.02821	1.1
159.08411	3.8
169.08664	3.2
171.10062	0.9
173.04491	1.0
199.32413	0.8
202.29021	0.8
203.07413	40.7
204.07478	1.1
291.09094	100.0
292.09491	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	291.124
Annotation	CHEBI:69079
Peak:m/z	Relative Intensity
50.24531	0.7
52.02796	1.3
53.82299	0.8
57.03299	1.0
58.02824	1.1
59.01234	2.3
68.60195	1.0
73.27490	0.9
83.04874	1.5
85.78242	0.9
91.72752	1.5
95.04836	1.2
101.84884	0.9
109.44618	1.1
121.02823	3.4
122.03649	1.8
123.04379	3.5
131.04878	1.3
135.04373	1.8
144.05685	1.6
145.02826	1.2
146.03621	3.3
147.04413	31.7
148.05135	2.9
149.06001	6.3
150.09589	1.0
156.13837	74.3
160.05186	3.8
161.05946	1.7
163.07552	4.4
171.04468	1.0
172.05219	3.6
173.05991	1.6
174.03131	4.4
175.03915	13.5
181.74878	1.0
185.06035	8.8
187.07568	1.7
187.11180	2.3
188.04750	1.7
188.08354	1.9
189.05496	4.2
199.07593	4.1
200.08377	7.1
200.12834	2.1
201.01955	1.5
203.10715	23.6
205.12267	1.1
211.24290	1.0
213.09143	12.5
215.07506	1.6
215.10727	43.7
216.04257	3.0
216.07912	1.1
216.11095	2.3
217.04929	2.3
217.08778	1.3
217.12386	1.7
219.02965	6.9
231.10234	44.8
232.10580	1.7
233.11807	32.0
234.05342	6.5
234.12102	2.1
244.07405	3.8
247.13345	1.8
247.17024	1.7
259.09766	82.9
260.10059	5.1
261.11328	8.6
263.12888	2.4
291.12411	100.0
292.12683	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	291.1603
Annotation	7alpha-Hydroxypodocarp-8(14)-en-13-one-16-oic acid
Peak:m/z	Relative Intensity
50.94844	0.3
57.20585	0.3
59.01195	0.8
64.12329	0.3
65.40308	0.3
66.95223	0.8
66.95608	0.9
77.80048	0.3
92.02514	2.3
93.03249	0.4
95.01192	0.6
106.04095	8.0
107.04820	1.2
108.01962	0.9
110.61656	0.4
119.04893	2.7
121.02823	10.3
122.03094	0.4
133.06393	0.6
137.02246	0.6
141.05191	0.4
156.13895	0.4
165.12640	0.8
166.19067	0.4
175.88724	0.4
191.14273	0.9
206.11182	0.3
209.76369	0.3
212.43971	0.3
217.15900	3.1
219.17505	15.4
220.17825	0.5
229.15935	1.7
245.15430	4.7
247.17012	100.0
247.28015	0.9
248.17380	6.5
256.19449	0.4
291.16055	81.5
291.19510	6.9
292.16388	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	291.1603
Annotation	7alpha-Hydroxypodocarp-8(14)-en-13-one-16-oic acid
Peak:m/z	Relative Intensity
52.63150	0.3
55.75873	0.4
57.61416	0.3
59.01211	1.4
59.01467	0.3
60.68385	0.3
62.52547	0.4
62.52820	0.3
64.34446	0.7
64.34772	0.5
70.10146	0.3
71.85210	0.4
83.40946	0.3
88.02116	0.4
92.02523	1.7
93.03300	0.6
100.35418	0.3
106.03413	0.4
106.04099	6.0
107.04896	8.5
108.01989	0.7
109.02782	0.4
110.03571	0.4
119.04893	9.2
121.02824	8.2
132.97989	0.5
133.05005	0.5
133.06490	2.0
133.69438	0.3
134.26518	0.3
145.02844	0.5
147.08063	0.4
156.13834	6.2
191.14262	0.6
200.12888	0.4
217.15932	33.1
217.24014	0.5
218.16260	1.4
219.13911	0.6
219.17468	1.0
229.15942	64.4
230.16306	3.8
245.15414	2.6
247.17017	23.6
248.17305	1.5
291.16043	100.0
292.16373	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	291.1967
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.73191	0.4
55.83101	0.2
59.01227	0.7
71.01218	0.2
80.02555	0.2
80.96347	0.3
91.01888	0.2
92.92635	0.2
95.04875	0.3
97.06441	0.5
104.15858	0.3
106.04063	0.3
113.05890	0.2
119.04895	0.5
121.02796	0.6
125.05953	0.5
127.07484	0.2
148.08821	1.2
150.10397	1.2
151.11134	0.8
158.63878	0.2
163.11160	1.1
165.12749	20.8
166.13112	0.9
175.11127	0.4
176.11952	0.7
177.12779	0.4
179.14319	0.5
189.87285	0.2
191.14342	0.7
193.12238	0.3
209.04491	0.2
217.15952	0.6
222.57916	0.2
229.19543	0.3
245.19135	0.3
247.17004	0.6
247.20651	12.4
248.21074	0.5
273.18622	7.7
274.19046	0.7
291.19672	100.0
291.32684	0.8
292.19998	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06836	0.2
52.21326	0.2
52.61937	0.3
57.03297	1.2
59.01238	2.7
69.03288	0.3
73.47459	0.3
82.85089	0.3
83.04848	0.6
93.03291	0.7
95.04885	0.9
100.25042	0.3
102.75452	0.3
106.04106	0.4
109.06466	0.5
111.08018	12.3
112.08266	0.4
113.09589	0.7
132.73799	0.4
136.77646	0.4
137.09566	0.9
143.48584	0.4
149.09627	0.6
161.09708	0.3
167.10646	2.1
169.12207	0.5
177.12764	2.2
178.61064	0.3
179.10661	1.9
193.15805	0.4
195.13843	9.2
203.14255	0.5
219.17401	0.5
221.11583	0.3
247.16989	1.3
247.20673	2.5
273.18600	2.1
273.69629	0.3
291.19666	100.0
292.16705	0.3
292.20001	7.9
300.63568	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	14,15-Dinor-13-oxo-7-labden-17-oic acid
Peak:m/z	Relative Intensity
53.12168	0.1
57.21495	0.4
59.32217	0.2
66.96180	0.3
66.96498	0.3
79.19746	0.2
82.00446	0.2
90.68478	0.2
92.02526	2.4
93.18161	0.2
95.01192	0.2
106.04099	13.7
107.04955	1.1
108.01983	0.7
109.02768	0.2
119.04081	0.2
119.04881	2.4
121.02818	9.2
133.06409	0.5
136.01477	0.2
137.02292	0.6
137.58961	0.2
140.25595	0.1
161.09465	0.3
177.22141	0.1
212.47592	0.2
247.09976	0.8
247.20647	100.0
248.20990	7.7
291.19666	54.5
292.20004	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	291.233
Annotation	Grevillol
Peak:m/z	Relative Intensity
51.42333	0.2
52.17924	0.2
57.03327	0.4
59.01249	0.4
65.03819	0.7
65.81646	0.3
73.83905	0.3
93.03313	18.5
94.03683	0.5
95.04884	3.2
95.71735	0.3
100.49181	0.3
107.51460	0.3
108.39886	0.3
120.95308	0.3
121.02820	31.7
122.03587	1.1
132.05696	0.7
183.10570	0.3
191.16475	0.3
197.19029	1.0
200.27245	0.4
211.20641	2.0
247.17090	0.7
247.20737	0.3
261.22238	0.4
273.22241	3.6
274.22342	0.5
291.23312	100.0
292.23676	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	291.233
Annotation	Grevillol
Peak:m/z	Relative Intensity
50.50651	0.2
53.75222	0.2
55.61753	0.2
58.55772	0.2
59.01224	0.7
61.49458	0.2
61.82827	0.2
62.49447	0.2
62.59107	0.2
72.55469	0.3
73.02787	0.2
73.06278	0.4
92.02526	0.7
93.03320	0.2
97.54524	0.2
106.04111	2.4
107.04903	0.4
108.02037	0.2
114.04902	0.2
119.04890	1.6
121.02833	3.9
122.03584	0.4
133.06447	0.4
133.27852	0.3
137.02322	0.3
166.30333	0.2
173.04361	0.2
178.41077	0.2
214.57814	0.2
219.17763	0.3
233.19020	0.2
247.17093	1.3
247.20726	0.3
247.28131	0.2
259.20605	0.3
261.22235	4.0
273.22260	2.2
287.20065	0.5
289.21756	25.1
290.22150	1.7
291.10345	1.0
291.23306	100.0
292.20264	0.4
292.23639	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	292.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02832	0.8
59.01231	0.5
62.46986	0.4
91.73328	0.4
95.66816	0.4
120.81548	0.3
156.09172	1.0
156.13835	100.0
156.19237	1.0
157.14178	3.0
185.24911	0.4
200.12897	3.7
216.11095	0.7
217.40225	0.5
220.14783	2.0
221.15417	3.5
232.10568	0.7
233.11771	1.0
234.12170	0.5
236.10606	2.4
260.10062	1.4
292.12708	1.6
292.19458	0.7
293.17786	0.6
306.92435	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.192
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
54.58562	0.2
57.95980	0.3
58.02825	0.8
59.01234	0.9
71.01231	0.4
73.02818	0.3
73.14426	0.3
86.93874	0.3
90.45930	0.3
91.73350	0.5
96.95856	0.4
107.04935	0.4
108.05379	0.4
120.05209	0.4
121.02828	0.4
134.91060	0.3
156.13834	100.0
156.19315	1.0
156.55362	0.3
157.14206	2.4
195.09814	0.3
198.65422	0.3
200.12827	3.5
218.16267	2.1
220.14644	1.1
221.15410	1.7
230.16273	4.8
231.97394	0.4
236.10617	1.8
248.17346	1.8
291.19226	0.3
292.16400	6.3
292.19858	2.2
293.17542	0.6
293.21118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0305
Annotation	Tricrozarin A
Peak:m/z	Relative Intensity
50.66375	0.4
50.78797	0.5
58.81141	1.1
59.01229	2.3
59.97039	0.5
65.11049	0.7
69.77152	0.5
71.01228	1.7
73.94387	0.5
79.23901	0.5
81.98191	0.6
82.09763	0.5
84.44070	0.5
85.02823	1.2
89.02274	1.7
93.03312	1.6
95.04896	0.7
96.94314	0.5
96.95847	1.1
105.03300	1.3
107.01247	1.8
109.02824	2.0
117.03348	2.8
119.01289	1.5
119.04898	1.1
121.02834	3.5
122.03558	0.6
123.04366	1.7
130.96681	0.5
133.02841	8.2
135.00737	0.9
135.04411	4.2
137.02336	5.7
145.02827	2.2
147.00745	2.2
147.04395	2.8
148.01532	1.3
149.02319	3.7
151.03882	0.7
157.02829	1.2
159.04387	1.0
161.02338	14.4
163.00281	4.2
163.03860	1.2
165.01825	2.2
173.02350	2.0
175.00252	2.6
175.03938	2.9
176.01033	2.5
177.01851	13.2
178.99751	4.0
179.03455	3.2
189.01855	3.8
190.02654	0.9
190.99756	1.7
191.03410	2.7
192.00546	3.2
193.01353	34.7
194.01717	0.8
201.01852	2.0
202.99889	1.2
203.03433	2.5
203.07231	0.7
205.01343	6.3
205.05025	1.3
217.01393	4.5
218.99228	0.6
219.02977	2.5
221.00887	4.7
233.00894	31.9
234.01198	1.8
245.00890	5.8
247.02466	4.2
249.00276	0.7
249.04001	1.0
250.01041	0.8
263.02014	4.6
275.01996	1.6
293.03052	100.0
294.03476	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.088
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
50.59628	1.0
55.01763	1.3
57.03326	1.8
58.00471	2.6
59.00082	1.7
59.01241	85.9
59.02556	1.1
59.98375	1.6
67.01776	1.1
67.55159	1.0
69.03305	12.2
70.99677	1.6
71.01238	84.2
72.01598	1.3
72.99158	2.6
73.02800	11.9
75.00755	3.4
81.03309	5.9
83.01221	6.1
84.02051	3.8
85.02808	36.7
85.03288	2.0
87.00732	1.4
89.00115	1.6
89.02296	100.0
90.02654	1.1
95.01271	2.0
97.02807	29.2
99.00739	13.4
99.04404	4.7
101.02309	12.0
109.02810	1.9
111.00772	2.3
113.02274	8.0
115.03851	6.2
119.03397	1.4
125.02313	39.0
131.03363	8.0
137.02354	1.2
137.05923	2.0
142.45862	1.2
143.03429	3.4
149.04422	7.3
151.07515	6.2
161.13243	11.8
187.11211	2.7
191.05637	3.1
192.18622	1.3
205.12283	27.4
205.14037	1.8
206.12669	1.7
219.10155	1.9
230.53235	1.3
231.10318	6.5
233.06628	19.5
247.09830	2.9
249.11311	78.6
250.11847	3.8
293.10440	45.5
293.13602	2.5
294.10779	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0879
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.99038	1.1
54.84274	1.5
55.01732	1.2
57.03288	1.9
58.00441	1.5
59.01243	78.8
67.48125	1.2
69.03314	6.7
69.83184	1.3
71.01240	77.8
72.91693	1.3
72.99177	3.8
73.02797	10.7
75.00732	2.9
75.49109	1.3
80.31771	1.2
81.03326	5.1
81.64326	1.4
83.01247	6.4
85.02815	8.8
87.00720	1.8
87.25640	1.3
89.02296	100.0
91.73396	1.5
97.02814	13.5
97.08926	1.4
99.00732	14.5
100.29579	1.6
101.02307	12.1
109.02783	1.9
113.02330	6.8
115.03883	4.8
119.03354	2.1
125.02320	34.7
131.03380	5.8
143.03465	2.5
149.04454	6.6
161.04437	3.0
182.26779	1.6
191.05574	2.8
226.50789	1.9
233.06645	20.0
251.49045	1.6
293.08966	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	293.1031
Annotation	3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide
Peak:m/z	Relative Intensity
50.89918	0.5
51.93449	0.5
56.37875	0.8
59.01228	2.3
59.98383	2.1
67.01740	0.8
67.44131	1.3
69.03307	3.7
71.01223	1.1
73.02788	1.3
83.04875	0.8
84.02013	6.3
85.02807	37.2
86.29337	0.7
91.72711	1.2
93.03259	1.0
97.02811	24.1
99.04356	2.9
111.04357	1.7
121.10101	1.5
123.07993	1.4
133.90903	0.8
137.05951	1.3
139.07544	2.3
149.09554	1.1
151.07524	7.8
158.37083	0.8
161.13254	19.2
164.08348	2.7
187.11189	3.7
205.12286	44.8
206.12669	1.4
249.11307	100.0
250.11742	3.2
288.41061	0.9
293.10333	73.8
294.10602	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	293.1145
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
51.54136	0.9
52.53465	0.8
58.02840	1.5
59.01245	14.3
69.03328	1.7
71.01245	5.9
72.00769	6.4
72.99169	3.8
73.02806	2.5
74.02329	1.8
84.04437	1.3
85.02802	3.2
85.06432	1.6
87.00733	2.3
89.02296	4.6
91.05392	3.1
92.04916	1.8
92.88725	1.1
93.03325	2.3
96.95881	4.1
97.02821	1.5
101.02291	3.9
101.66618	1.1
104.77650	1.2
109.03947	6.4
109.93135	1.1
112.03909	1.2
113.02320	3.8
113.05908	2.4
114.05465	3.2
115.93092	1.1
118.06477	1.1
119.03352	3.7
120.04420	7.3
125.02344	1.1
127.05016	24.6
128.03409	100.0
129.03754	2.2
129.16220	1.2
131.07022	5.0
135.36612	1.3
137.02325	2.8
147.04407	23.8
163.05092	1.7
164.03424	3.3
164.07066	58.0
173.04472	4.6
205.04950	1.2
213.10287	2.7
249.08994	1.5
257.09311	12.6
275.10419	23.0
293.07846	3.5
293.11887	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	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.8
56.22067	0.5
57.03317	1.2
58.00460	1.4
59.00099	1.6
59.01243	93.4
59.02511	1.2
60.01575	0.9
68.87197	0.6
70.64793	0.6
70.99728	0.7
71.01241	41.8
72.99171	2.8
73.02796	1.3
73.24086	0.6
80.67039	0.6
83.01247	3.0
85.02803	9.1
87.00730	1.5
89.00180	1.0
89.02297	57.8
89.04671	0.8
90.02667	0.7
91.73303	0.7
93.03358	1.0
95.01249	2.6
96.95870	2.1
99.00764	0.8
100.00270	0.8
100.99777	0.7
101.02303	34.6
113.02303	19.4
113.05943	13.0
119.03370	26.1
131.03377	1.6
131.07007	2.8
133.03802	0.8
134.60687	0.6
137.02368	0.9
143.03375	1.4
146.57483	0.8
148.06139	1.1
149.04414	1.2
154.40150	0.7
161.04420	1.5
163.03954	1.0
178.99757	1.2
179.05562	2.1
194.15308	2.0
205.05247	1.6
206.97168	0.7
249.04027	1.3
289.80396	0.7
293.12442	100.0
294.12814	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	293.1395
Annotation	Pyrethrosine
Peak:m/z	Relative Intensity
53.50793	0.3
57.03308	1.0
58.49918	1.2
59.01236	0.7
59.03156	0.3
71.51737	0.3
72.89085	0.3
73.02814	0.3
80.36696	0.3
80.91088	0.3
86.00581	0.3
86.03580	1.1
88.73133	0.3
92.02547	0.6
94.47514	0.4
96.95862	0.7
101.05901	0.5
106.04081	2.7
107.04878	1.1
113.02316	0.4
114.05453	0.6
119.04883	1.0
121.02837	2.7
137.02309	0.4
145.06473	0.4
153.43069	0.3
161.09634	0.6
163.11188	14.7
164.11516	0.5
173.09586	0.4
183.35939	0.3
189.09140	1.0
191.10695	58.5
192.11029	2.8
219.11917	0.5
219.13866	7.2
220.11031	0.9
221.11972	0.3
221.15363	1.1
231.13924	0.6
247.13376	4.7
248.13602	0.5
249.14951	25.2
250.15242	1.6
293.13959	100.0
294.14297	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	293.1396
Annotation	Oidiolactone E
Peak:m/z	Relative Intensity
55.01741	1.0
57.03317	11.4
57.27601	0.3
58.07670	0.8
58.07924	0.5
59.01236	0.4
62.87774	0.3
65.03809	1.0
67.01750	12.4
69.03022	0.4
69.03317	4.3
71.04882	3.4
73.02785	0.6
81.03315	8.7
83.04881	3.2
85.06442	1.0
87.04362	1.2
91.05387	1.0
93.03309	0.8
95.04855	1.2
97.02792	1.2
97.06454	4.2
99.04372	19.0
99.08014	47.3
99.10569	0.9
100.08337	0.9
101.60428	0.4
105.03339	0.5
105.06957	5.1
107.04884	2.9
109.06435	1.2
111.08018	5.1
113.09586	8.3
115.05349	0.6
117.03392	0.4
119.04867	1.5
119.08531	0.6
121.02818	5.1
121.06440	1.7
122.03630	0.6
123.04385	1.4
123.07986	0.7
125.05875	0.5
125.09563	0.8
131.04901	4.2
132.05707	2.7
133.06470	45.6
133.10483	0.7
134.03615	1.0
134.06807	1.5
135.08037	3.5
137.02296	0.6
137.05959	12.3
137.09599	12.4
138.09973	0.4
139.07472	0.6
144.15126	0.4
146.03625	3.2
147.04372	1.4
147.07985	0.5
148.05209	2.9
149.05971	6.0
149.09619	5.0
159.04399	2.0
160.05173	1.7
161.06010	0.9
161.09604	0.8
163.06229	0.7
163.07541	8.3
163.11176	0.6
165.09102	12.3
167.79836	0.5
171.11696	0.9
173.05934	0.7
173.13260	1.3
174.06763	3.7
174.10443	0.9
175.03964	0.9
175.07509	1.1
175.11197	2.8
177.05486	1.7
180.04218	0.6
181.08681	0.5
189.05463	1.6
189.09149	9.6
189.12766	15.6
190.06291	3.5
190.13087	0.7
192.07829	4.9
193.08656	2.1
199.11212	2.7
207.13835	0.5
215.10660	0.8
217.12292	71.6
218.12679	3.0
219.10170	0.9
221.11781	4.9
229.12274	1.1
231.13766	0.7
233.11803	10.7
234.12459	1.6
247.13388	13.8
248.13719	0.8
249.14949	100.0
249.25195	1.0
250.15289	5.3
275.12845	0.4
293.13959	25.1
294.14270	1.5
307.93808	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.7
57.03329	3.7
58.00457	2.3
59.01243	100.0
59.02456	2.0
60.01560	0.7
62.46935	0.6
69.03299	0.9
71.01241	97.4
71.02837	1.8
72.01569	1.3
72.99171	3.8
73.02805	32.4
73.04463	0.7
75.00723	1.4
83.00885	0.4
83.01241	18.4
85.02808	47.4
87.00744	5.7
89.02298	40.9
95.01241	7.7
97.02811	2.4
99.00735	12.0
99.04394	0.8
99.07993	1.1
101.02303	99.5
101.05019	1.3
102.02629	0.9
109.02794	2.0
111.00745	0.9
113.02308	47.9
114.02650	1.5
119.03366	15.4
125.02319	3.8
128.89241	0.7
129.01831	1.9
131.03389	2.2
131.10646	4.9
137.02351	1.1
143.03397	7.2
143.96725	0.7
149.04391	0.9
153.01825	1.2
159.02896	11.0
161.04456	70.7
161.09822	0.9
162.04779	1.6
167.03418	2.1
178.99779	3.2
179.05522	3.1
203.07008	1.0
205.03394	1.0
221.08080	1.5
231.06592	1.0
256.65640	0.7
272.65082	0.7
293.06967	1.7
293.16089	69.9
294.16394	3.1
310.42627	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	3.9
57.03315	5.3
58.00447	1.7
58.99980	1.6
59.01242	99.4
59.02393	1.7
71.01240	100.0
71.02738	1.5
72.99177	3.9
73.02805	33.9
73.03200	1.9
75.00725	1.8
82.99062	1.0
83.01238	17.6
83.03149	1.0
85.02804	48.8
87.00736	3.9
89.02300	44.5
90.02624	1.4
95.01242	7.3
97.02819	1.7
99.00747	12.9
101.02303	95.9
101.26508	1.2
107.01255	4.5
109.02832	1.2
111.00741	2.4
113.02306	46.3
119.03363	15.4
122.15810	1.1
125.02312	7.3
131.10648	4.8
135.00748	1.4
143.03403	7.2
159.02884	10.2
161.04451	69.3
161.13026	1.2
162.04875	1.6
165.05492	1.2
167.46498	1.2
178.99763	16.5
179.03722	1.2
179.05531	4.7
191.03354	2.9
194.71661	1.2
203.03465	2.0
205.03384	1.7
205.08815	1.4
221.08238	1.7
231.06607	2.3
288.04361	1.2
293.06686	3.2
293.16077	66.5
294.16360	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1761
Annotation	Discosiolide
Peak:m/z	Relative Intensity
51.14143	0.3
57.47842	0.5
59.01202	0.6
59.94001	0.3
67.17420	0.4
67.17719	0.3
67.45889	0.7
67.46256	0.8
71.01212	0.3
72.97186	0.4
73.61906	0.4
91.73315	0.4
92.02482	1.2
93.03262	0.5
95.01151	0.3
96.95810	0.6
97.05921	0.3
106.04108	5.6
107.04852	0.7
108.02028	0.4
119.04876	2.1
121.02824	5.3
128.87727	0.3
133.06464	0.4
137.02296	0.5
152.91559	0.5
190.84976	0.4
212.78799	0.6
217.15851	0.8
219.17490	7.4
220.14645	1.2
221.15459	2.6
231.17546	4.0
236.10649	1.9
245.15398	1.1
247.17017	53.4
248.17392	1.8
249.18591	95.4
249.29028	0.9
250.18915	3.9
290.59412	0.5
293.17612	100.0
294.17953	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48989	1.2
54.99235	0.9
55.25457	0.7
59.01225	3.5
60.25409	0.7
70.99721	1.5
71.00044	0.9
90.87266	0.8
109.06443	1.5
121.10098	30.7
124.22440	1.0
127.07478	1.7
127.11178	1.3
155.10666	0.8
171.10172	53.4
171.16135	1.0
172.10501	1.3
177.16374	1.5
183.10197	4.4
183.13818	16.9
185.11826	1.5
211.13326	2.7
231.21143	5.3
235.17026	6.8
275.20197	91.7
276.20541	6.6
291.09872	0.8
293.21243	100.0
293.34424	1.2
294.21591	7.4
300.34488	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34814	0.6
59.01242	0.9
64.54100	0.6
80.54085	0.6
84.67590	0.6
90.08246	0.6
99.29454	0.7
99.90382	0.7
105.97313	0.7
106.81525	0.7
121.39957	0.7
179.14290	1.4
195.13824	13.4
196.14592	3.4
205.12294	0.9
216.49954	0.9
223.13348	9.5
224.13963	1.1
228.13623	1.1
231.21138	0.9
256.13202	5.3
275.20154	5.9
276.20798	0.9
293.21234	100.0
294.21619	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99612	0.4
57.37406	0.4
58.14730	0.4
58.31123	0.6
59.01230	2.0
59.65988	0.4
71.01222	0.7
77.57714	0.5
79.54108	0.7
79.95597	2.3
89.02280	0.5
89.31307	0.6
96.93121	1.1
96.95869	97.2
96.98299	1.3
113.09580	1.4
125.09547	0.8
125.81220	0.6
137.02386	0.8
139.11171	2.5
151.69313	0.6
153.12759	1.4
172.51546	0.6
173.04509	0.5
191.18001	4.4
193.15910	0.7
205.12401	1.0
220.14697	3.4
221.15414	8.5
236.10506	6.1
244.81454	0.8
247.20612	3.1
275.20206	1.2
293.17935	80.4
293.21271	100.0
294.18259	5.0
294.21606	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	4.6
58.03633	0.2
59.01243	2.3
71.01227	0.4
81.00567	0.2
81.03284	0.2
83.04881	0.4
85.06428	0.5
93.49892	0.2
96.95849	0.4
97.06445	0.9
109.06453	1.0
113.09585	19.7
113.12672	0.3
114.68731	0.2
121.10132	0.2
122.12946	0.2
125.09602	0.4
135.11636	0.3
139.11154	1.8
141.09064	0.4
149.09619	0.6
151.79242	0.3
155.10559	0.3
167.10652	2.9
171.10062	0.3
177.12758	1.2
177.75209	0.3
179.10689	2.0
180.11064	0.3
188.87915	0.2
193.15831	0.2
195.13832	3.3
203.74242	0.2
220.14626	0.8
221.15450	1.4
235.08762	0.3
236.10579	1.3
249.22226	2.2
275.20123	1.0
293.21231	100.0
293.34052	0.9
294.21579	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41856	0.5
51.95237	0.4
57.03294	0.7
57.38150	0.4
59.01244	2.1
69.52765	0.4
71.01247	1.1
77.06007	0.4
87.54934	0.5
87.80644	0.4
89.02293	0.6
96.95885	2.0
102.11219	0.4
113.09596	1.5
125.09579	2.2
141.12726	0.7
149.09567	1.0
152.45505	0.4
176.06602	0.5
183.13846	1.6
185.11774	6.1
195.13879	1.8
197.11792	1.5
205.12267	0.9
211.13304	0.6
220.14622	1.9
221.15440	6.2
222.15707	0.6
223.13368	1.2
236.10535	4.0
256.13068	0.6
275.20224	3.8
279.44122	0.5
293.08905	1.2
293.21240	100.0
294.21506	5.1
294.63681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69033	0.7
57.03314	1.4
59.01225	2.5
71.01249	1.6
82.02589	0.7
93.03325	0.9
93.07704	1.0
96.95853	4.2
125.09557	4.1
125.85636	0.8
136.08908	1.0
137.07617	0.9
141.12714	1.2
149.09552	2.0
173.00018	0.8
185.11748	7.8
192.11536	1.1
197.11713	2.0
205.12308	1.3
220.14674	6.5
221.15443	14.5
236.10550	9.0
249.22293	1.0
293.21225	100.0
294.21533	6.6
313.73306	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2488
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
54.92665	0.4
59.01247	3.9
63.14769	0.5
63.61883	0.4
65.78345	0.4
71.01227	1.4
79.95589	1.2
82.97041	0.4
94.31746	0.5
96.93061	0.5
96.95870	30.5
96.98411	0.4
108.09390	0.4
114.30232	0.4
116.92712	0.5
125.81058	0.4
126.34336	0.5
177.09071	0.7
182.49413	0.5
192.11458	0.8
205.12289	0.9
220.14644	6.4
221.15421	13.5
222.15916	0.7
236.10535	8.5
275.23932	1.1
293.17969	25.6
293.24884	100.0
294.18225	0.9
294.25192	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	295.0612
Annotation	Isounonal
Peak:m/z	Relative Intensity
57.83159	0.7
58.70007	0.6
59.01241	13.2
70.13429	0.8
83.36573	0.9
91.72736	0.8
92.92624	1.0
93.03312	1.3
94.93474	0.9
96.70667	0.8
99.07966	1.1
101.02314	1.0
121.02849	1.2
123.00761	1.7
129.09070	1.2
136.19946	0.9
144.98660	1.0
147.00742	1.4
156.05672	1.1
165.05511	0.9
167.04971	1.6
167.07082	1.3
171.04169	0.8
180.05637	1.7
183.04503	0.9
184.05220	13.5
195.04495	1.1
196.05211	3.9
202.31833	1.1
208.05231	39.8
209.05676	2.0
211.03932	16.8
212.04732	16.2
224.04820	1.2
239.03505	1.7
251.16606	1.0
252.04460	1.0
267.06635	63.3
268.06793	4.1
295.06119	100.0
296.06497	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0612
Annotation	4-Acetylchrysophanol
Peak:m/z	Relative Intensity
58.49503	0.2
59.01243	1.6
60.42866	0.1
66.90885	0.1
68.06910	0.3
68.07279	0.3
69.53716	0.1
78.03717	0.1
79.01784	0.1
101.02253	0.2
110.17476	0.1
110.93301	0.1
113.44851	0.1
117.03276	0.2
127.07426	0.1
135.00717	0.2
137.05800	0.2
159.00705	0.2
165.05391	0.2
166.06329	0.1
167.04924	3.0
167.07007	0.2
168.05582	0.4
171.04324	0.2
172.04723	0.2
180.05734	0.3
195.04437	9.4
196.05157	1.2
208.05234	1.0
223.03960	9.6
224.04723	5.1
225.05119	0.3
226.02515	0.2
251.03577	0.8
251.94064	0.9
252.04265	100.0
253.04614	5.9
267.06635	18.8
268.06976	1.4
279.03085	0.2
280.03772	22.0
281.04123	1.1
294.93146	0.8
295.06119	81.0
296.06454	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	295.0974
Annotation	Dasytrichone
Peak:m/z	Relative Intensity
51.84509	0.3
55.58929	0.4
59.01241	6.6
59.01509	0.5
61.71498	0.3
63.67500	0.7
70.14321	1.0
70.14676	0.7
73.19503	0.4
77.69453	0.4
81.88843	0.6
88.43629	0.4
93.03355	1.2
101.02332	0.6
129.09109	0.6
135.63481	0.4
137.63980	0.4
193.06525	0.8
205.91275	0.4
208.05159	0.6
221.06148	1.5
221.98071	0.5
222.06813	41.9
223.07158	2.8
235.07655	3.2
237.05534	0.9
244.73074	0.4
249.09164	1.7
250.06398	2.5
251.13106	0.4
254.05824	11.9
255.06099	0.6
263.07117	1.1
267.10278	59.4
268.10620	4.0
280.03964	0.6
294.96313	0.9
295.09744	100.0
296.10074	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	295.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42342	0.3
54.07559	0.3
55.33667	0.3
56.41349	0.2
57.03313	0.6
59.01242	3.1
69.03308	1.9
73.02787	0.3
74.98931	0.3
78.18110	0.3
81.45399	0.2
83.04881	27.4
83.07008	0.3
84.05201	0.5
87.00732	13.1
91.73323	0.6
93.03311	1.0
95.04848	0.3
96.18461	0.2
101.02300	1.1
104.66168	0.3
107.04920	1.2
109.06462	4.5
115.35320	0.3
119.04919	0.3
121.13255	0.3
123.04394	0.3
135.04372	0.7
136.99022	0.4
143.32220	0.2
145.04976	0.5
149.01410	1.1
149.05969	100.0
149.11209	0.9
150.06306	4.0
173.04480	0.6
188.58679	0.3
189.09155	0.5
193.08672	0.3
203.10715	0.5
207.10204	3.2
215.10806	2.4
233.11807	17.1
234.12178	0.9
235.08252	0.4
252.16228	0.3
256.31073	0.3
295.08408	0.6
295.11871	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	295.1186
Annotation	Anislactone B
Peak:m/z	Relative Intensity
52.12758	1.7
57.03310	5.8
59.01245	26.5
59.64779	1.5
62.36072	1.6
69.03302	3.3
71.01239	3.9
73.02814	2.4
75.89211	1.5
79.05381	3.3
81.03304	2.3
83.01196	2.0
83.04890	5.9
83.21629	1.6
85.02807	4.5
86.56122	2.2
87.00803	1.7
93.03333	2.9
94.81860	1.7
95.04881	9.0
97.02821	11.5
97.15726	1.6
99.04381	9.3
101.02302	8.8
102.95226	1.8
107.04894	10.6
108.02044	4.2
109.02830	5.0
109.06463	13.1
110.03603	7.9
111.04399	5.4
113.02319	2.9
121.02865	2.7
121.06462	2.5
122.03605	15.5
122.44446	1.9
123.04379	7.0
125.02293	3.1
125.05038	3.6
125.05957	74.8
133.06485	6.7
135.04390	8.7
135.08028	4.4
135.27116	1.7
136.05202	7.8
137.05963	30.1
139.07530	3.3
144.05652	2.1
145.06493	2.8
147.08072	2.3
148.05255	2.7
151.03882	2.7
151.07500	2.9
153.05417	4.6
155.07024	10.0
157.06487	3.6
159.08086	4.4
161.05956	2.6
161.09642	7.4
163.07552	3.5
163.11177	2.0
165.05479	3.3
165.09183	2.2
170.07281	6.2
171.08006	2.4
172.09070	1.7
173.09648	11.3
175.02512	2.1
175.07536	4.9
175.11107	5.6
176.08368	4.7
181.05000	5.1
184.07315	29.5
185.08058	4.8
185.09627	34.1
187.07545	6.2
188.08371	4.2
189.09212	2.4
189.12805	3.3
191.10693	48.2
193.08644	2.2
201.09183	10.4
203.10715	100.0
204.11047	2.5
215.10796	2.5
221.11713	12.9
229.08739	2.7
233.11844	7.5
235.09764	7.9
247.09798	8.2
251.12915	15.9
265.10800	5.6
277.10870	7.4
295.11890	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	295.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22306	0.6
51.35422	0.6
54.21012	1.5
55.01750	0.8
55.61170	0.6
57.03319	7.3
58.33751	1.3
59.01242	7.5
64.91576	0.6
67.94730	1.2
67.95051	0.6
69.03315	9.0
70.13155	0.6
70.40977	0.6
71.01219	0.9
71.04863	1.2
71.79726	0.8
73.02789	2.2
76.36716	0.8
80.02538	0.8
81.03297	0.7
83.04890	7.6
85.02818	4.5
85.06451	0.7
87.00719	1.5
87.76317	0.7
90.00423	0.9
92.41576	0.7
93.03288	2.0
93.06960	2.1
94.04112	0.9
95.04879	27.0
96.01990	1.0
97.02791	2.4
97.06422	1.3
98.03587	3.9
99.04380	0.8
101.02287	2.9
102.05445	2.0
106.04089	0.8
107.04883	1.9
109.02785	3.9
109.05783	1.1
109.06454	12.4
111.04380	22.4
111.08015	4.6
113.02341	1.2
113.05945	25.7
113.06744	1.3
114.53145	0.7
115.03863	4.4
117.86329	0.8
119.04811	0.8
119.08511	1.4
120.05696	0.9
121.06460	8.2
121.10076	1.7
122.03600	5.1
123.08038	6.5
124.05127	2.5
125.05940	1.3
129.06888	1.2
133.06482	0.8
134.07213	0.9
135.04369	2.5
135.08018	3.7
136.05196	1.9
137.05956	13.6
137.09579	4.6
138.06715	1.9
138.33644	0.7
139.07523	6.7
141.09065	1.3
145.10088	1.0
147.08011	2.2
149.05951	3.0
149.09604	12.1
150.06720	1.1
151.07507	2.9
152.08226	1.2
155.07001	3.1
163.11197	4.1
165.09137	7.7
171.11674	9.2
173.09657	1.7
174.10376	1.4
183.06569	1.0
188.08224	1.4
189.09160	2.1
189.12767	92.2
190.13037	4.4
192.11459	0.9
193.08598	1.6
203.10681	2.0
207.13858	8.1
215.10703	7.3
233.11823	3.8
251.12880	100.0
252.13202	4.7
277.10831	2.2
295.11865	89.2
296.12207	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	295.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14748	1.3
51.15008	1.3
54.83899	1.4
57.03314	3.9
57.34616	1.3
59.00966	2.7
59.01240	36.0
66.38227	1.2
69.03314	16.1
70.99780	1.6
71.01241	79.0
71.04877	2.3
71.61131	1.4
72.99184	2.6
73.02805	5.2
74.99004	1.5
75.72442	1.4
75.81149	1.5
83.04890	9.0
84.02023	5.6
85.02808	35.1
85.06430	3.7
87.00735	3.6
93.03317	2.3
95.04864	9.4
95.22467	1.6
97.02766	3.9
97.06429	2.6
99.04362	3.1
101.02308	12.4
104.02906	1.7
107.04884	4.0
109.02805	3.8
109.06453	26.9
111.04371	6.8
111.08025	25.3
112.01534	2.7
113.02313	67.6
113.05948	15.1
115.03843	1.8
116.07030	1.9
119.08514	3.1
121.02842	3.3
121.06450	5.0
122.03606	4.6
123.04385	2.3
123.08041	4.5
124.01549	1.9
127.07506	12.6
131.03387	1.9
133.06445	6.8
134.04585	2.8
134.07172	1.5
135.08023	3.1
137.05971	14.6
137.09589	16.1
139.07555	4.0
144.05705	2.7
145.06464	1.9
145.10144	2.2
147.08011	2.8
149.05981	3.2
149.09567	2.4
150.61099	1.8
151.03891	2.7
151.07553	2.8
155.07031	70.5
159.11632	3.8
161.05933	3.0
161.09621	43.5
162.10056	1.6
163.07527	3.0
163.11195	4.5
167.07028	10.2
169.10146	8.1
171.07961	2.4
171.11687	7.1
171.46898	1.6
172.08875	3.6
173.09647	2.6
175.11293	3.3
177.09135	2.6
177.12830	4.6
181.07054	2.2
181.08572	12.5
184.07326	27.3
185.08093	6.3
185.09688	3.7
187.11227	8.7
188.08424	4.3
189.09120	6.3
189.12761	9.2
190.06300	6.7
197.09653	24.6
199.07623	2.0
200.08362	32.5
201.08949	4.6
203.10649	12.6
205.12263	14.6
215.10727	53.5
216.11108	2.2
217.08774	2.3
221.11771	11.5
233.11795	100.0
234.12218	5.0
235.08205	3.0
251.10675	1.7
251.12863	11.4
265.28369	1.8
277.10858	6.4
295.08612	2.7
295.11908	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1186
Annotation	Anislactone B
Peak:m/z	Relative Intensity
55.01745	0.7
57.03079	0.4
57.03315	4.9
59.01239	2.8
60.46722	0.7
60.46973	0.3
65.08434	0.3
69.03297	0.6
71.01259	0.5
71.04873	0.4
73.02818	0.4
79.05389	0.5
81.03308	1.6
83.04875	6.4
85.02804	2.8
93.02763	0.4
93.03319	5.2
93.03853	0.6
95.01215	0.8
95.04884	5.2
97.02808	1.3
97.06444	2.5
97.56742	0.3
99.08015	10.6
101.02283	1.5
101.05927	1.3
105.06952	0.6
106.04076	0.5
107.04889	4.5
108.02025	0.8
109.02833	1.9
109.06435	0.7
110.03621	0.4
111.04384	11.2
111.08018	3.7
113.09560	0.7
121.02806	1.4
121.06457	7.2
122.03577	0.7
123.04392	4.1
123.08027	4.2
125.05038	0.6
125.05950	10.4
125.09581	1.5
127.07506	0.5
129.09065	0.5
131.04922	0.4
133.02800	0.4
134.03583	1.0
135.04373	1.4
136.05205	0.4
137.02240	0.4
137.05957	1.0
137.09569	0.4
138.03067	0.7
139.03883	3.5
139.07521	5.2
141.09100	0.6
147.04401	1.5
148.05183	7.3
149.05968	22.4
149.09659	0.5
150.06468	0.4
151.03897	15.5
155.07002	1.3
157.08592	1.0
162.06737	0.8
165.09099	1.3
165.12671	0.6
167.07037	3.3
169.08629	0.8
172.05190	1.1
175.03842	0.7
176.04704	0.4
177.12718	0.7
179.10672	1.5
179.14330	3.2
181.08629	0.6
187.11249	0.5
189.05478	2.0
189.12766	2.0
190.06245	1.1
191.06990	0.6
191.10689	2.3
193.08604	0.8
193.12239	0.5
195.13860	0.4
203.07056	1.0
205.12267	3.2
207.13864	6.7
209.11725	1.7
215.10693	2.5
218.09393	1.4
223.09949	0.6
223.13368	14.8
224.13678	0.5
233.11800	100.0
234.12141	4.7
251.12880	31.1
252.07718	0.5
252.13199	1.2
267.12375	0.5
277.10828	1.3
280.07346	1.6
291.57144	0.4
295.12296	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	295.1551
Annotation	LL-Z1271beta
Peak:m/z	Relative Intensity
53.46887	2.5
59.01242	75.8
59.28580	2.0
66.52212	2.3
70.66087	2.3
71.01257	3.3
73.02814	4.2
86.55650	2.3
89.02306	3.4
93.03351	3.5
101.02302	24.8
102.05483	2.4
106.04123	4.6
107.04879	3.2
108.02032	6.2
119.04908	39.1
121.02815	14.2
133.06497	9.9
137.02335	5.2
138.56699	2.4
150.03111	61.8
152.01082	5.7
161.09621	34.6
163.03912	59.0
163.05203	4.4
175.11243	7.8
177.05527	11.0
182.02116	54.3
189.12820	11.2
191.07109	3.8
196.03732	5.8
203.14450	5.0
205.08626	44.8
205.15979	10.1
219.10249	7.9
233.11916	6.2
233.15427	86.5
233.17616	4.4
234.15755	6.4
235.08238	9.1
246.72188	2.8
247.13409	5.2
251.16499	3.6
253.09236	3.9
277.14496	34.6
280.13251	9.6
295.01279	5.0
295.15549	100.0
295.22818	12.5
295.26138	4.1
296.15793	8.0
310.14230	5.2
317.10095	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.8
59.01248	8.2
78.19825	0.8
96.95860	3.6
98.95441	11.4
98.96286	2.8
113.09599	1.9
149.54482	0.8
151.11964	0.8
152.02705	0.9
154.62418	0.8
159.56859	0.8
183.13861	1.4
195.13823	14.0
277.21768	13.8
293.21326	0.9
295.17831	11.3
295.22772	100.0
296.23169	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	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
56.61615	0.2
57.03304	0.7
59.01240	3.7
59.35150	0.2
59.36659	0.2
76.22517	0.3
83.04903	0.4
83.84981	0.2
91.73332	0.2
94.23633	0.3
97.06445	0.3
99.08024	0.3
113.09592	2.5
117.61591	0.2
171.10168	0.3
175.34550	0.2
177.12781	0.5
178.73024	0.2
179.14337	1.2
181.12244	0.5
181.13960	0.2
195.13831	18.7
196.14114	0.9
199.52394	0.2
213.68971	0.2
233.22713	0.4
235.08058	0.3
251.23868	0.3
259.20596	0.4
277.21741	19.1
278.22058	1.3
295.22781	100.0
296.23129	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	295.2278
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
51.13150	1.1
52.51971	1.3
59.01239	12.7
67.34196	0.9
71.50150	0.9
73.51398	0.8
77.43983	1.0
83.04867	1.1
85.46717	1.0
87.12205	0.8
93.03340	0.9
96.29645	1.0
101.02278	1.3
111.08014	1.8
113.09576	3.7
124.86968	0.9
139.07527	1.2
144.01494	0.9
146.48846	1.0
157.08597	68.3
158.08900	2.4
175.17899	1.0
195.13837	4.4
229.73131	1.1
233.22858	1.0
253.09282	1.6
277.21729	69.6
278.22076	4.2
295.09866	1.4
295.22781	100.0
296.23224	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	295.2278
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
51.72573	0.2
57.03303	0.4
59.01241	9.1
59.36635	0.7
59.36895	0.3
61.10712	0.3
71.01254	0.6
71.50144	0.6
71.50511	0.3
73.02818	0.3
74.13017	0.3
75.03537	0.2
83.04877	0.3
89.35214	0.2
93.03342	0.3
97.06476	0.3
101.02297	1.8
112.81604	0.3
113.09587	1.0
115.03824	0.3
141.77698	0.3
151.08630	0.3
166.93805	0.3
175.02248	0.3
177.12802	0.8
179.28664	0.3
183.13821	0.6
195.13834	30.9
196.14209	1.4
209.15410	7.0
223.16891	0.5
225.14915	2.3
233.22647	0.6
235.08214	0.8
246.38896	0.4
253.09433	0.4
259.20740	0.8
275.20114	0.3
277.21735	39.9
278.21982	2.7
293.21136	0.3
295.22784	100.0
295.35922	0.9
296.23105	6.8
318.01431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70199	0.3
57.03311	2.2
59.01017	0.4
59.01243	3.9
71.01225	0.5
72.68118	0.5
76.98091	0.5
93.01673	0.4
96.80338	0.4
96.95868	2.2
98.95444	7.7
98.96279	1.3
134.27711	0.4
137.09610	1.8
139.07539	1.3
139.11166	0.8
155.14314	6.4
155.88593	0.4
167.14305	0.5
171.10201	3.5
181.16025	0.6
190.35535	0.4
195.13867	0.7
213.18480	0.9
217.99657	0.4
235.08200	0.5
251.23808	2.8
257.40399	0.5
277.21729	5.9
295.17953	6.8
295.22781	100.0
296.17935	0.6
296.23151	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	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
54.49353	0.3
55.15562	0.7
57.03302	0.7
59.01243	4.7
69.03319	0.4
71.50142	0.8
71.50493	0.5
76.22548	0.4
97.06464	0.3
99.08025	0.5
99.84802	0.3
103.04230	0.3
113.09614	0.3
125.09550	1.0
127.11113	0.4
141.12784	0.4
155.10669	1.2
162.11430	0.3
165.09373	0.3
171.04387	0.4
171.10176	28.8
172.10515	1.2
183.10185	7.9
195.13815	0.9
259.20584	0.4
277.21738	42.1
278.22086	2.7
293.21387	0.6
295.09613	1.0
295.22794	100.0
296.23145	5.8
315.04034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87271	0.3
57.03310	0.6
59.01241	3.3
60.49966	0.4
83.04865	0.3
96.95849	1.1
98.95439	3.9
98.96316	0.5
107.40900	0.4
111.08002	1.2
116.98822	0.4
127.11131	1.8
143.02368	0.4
165.12775	2.1
166.25429	0.4
207.99942	0.4
251.23738	1.1
295.09921	1.1
295.17496	2.9
295.22775	100.0
296.23056	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69221	0.9
57.03310	2.3
59.01242	31.9
60.11381	1.1
63.25457	1.2
63.55398	1.0
67.02099	1.1
70.18774	1.1
71.01256	1.7
73.02781	3.7
74.87309	1.4
85.02781	1.3
85.06429	1.2
87.21143	1.2
91.72739	1.9
93.03316	1.7
96.95849	5.0
98.95438	16.3
98.96260	2.9
99.08022	1.3
101.02288	8.9
103.28730	1.4
121.02895	1.4
125.09517	1.4
126.99361	1.4
143.51105	1.3
155.14250	2.0
171.10170	26.3
174.01587	1.4
183.10170	2.2
195.13831	2.9
198.69797	1.7
198.95053	1.3
235.08147	3.8
247.10408	1.5
253.09279	2.0
275.48682	1.4
277.21750	36.1
278.22177	3.3
295.10178	1.5
295.17770	19.2
295.22772	100.0
296.23059	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	295.2642
Annotation	Phytomonic Acid
Peak:m/z	Relative Intensity
56.35175	0.7
58.52857	0.7
58.82806	0.8
59.01235	2.5
62.65790	0.8
64.30882	0.8
65.42372	0.7
68.74239	0.9
79.95586	1.3
96.95899	1.6
98.95444	4.1
101.43228	0.9
104.46498	0.8
107.18958	0.8
118.89652	0.9
123.93512	0.9
130.25090	0.9
143.61763	0.8
152.29065	0.9
166.65723	1.1
180.76207	0.9
295.17502	4.8
295.26422	100.0
296.26822	5.9
298.39755	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1132
Annotation	Trigonochinene E
Peak:m/z	Relative Intensity
50.14175	0.1
50.17410	0.1
55.03560	0.2
59.01214	0.5
66.28381	0.5
66.28699	0.2
67.77727	0.2
68.15903	0.2
68.33076	0.2
71.01220	0.2
72.36264	0.3
74.03689	0.2
76.50604	0.2
81.51889	0.2
83.81062	0.3
93.03311	0.3
99.41778	0.2
108.02061	0.3
113.73627	0.2
117.03369	0.3
127.49883	0.2
135.06664	0.2
136.01517	0.5
158.03658	1.0
167.04912	0.9
181.06502	0.8
182.07301	0.6
193.06508	0.6
195.04453	0.7
195.08063	0.4
196.05157	0.3
199.03879	0.2
200.04666	0.4
209.06029	6.9
209.11707	0.3
210.06770	2.0
223.07564	2.6
224.04800	3.0
224.08124	0.3
225.05466	0.7
226.06192	0.2
227.03487	0.4
237.05550	7.1
237.09192	0.7
238.06322	50.0
239.04221	0.3
239.06717	2.9
240.04138	0.3
251.07124	23.8
252.07881	15.8
253.05577	0.2
253.08281	1.2
254.05811	2.6
255.06314	0.3
265.08740	1.8
266.05927	1.2
267.06448	0.6
269.08286	0.4
270.05310	0.8
281.08212	2.6
282.08975	37.6
283.09326	2.3
284.06909	1.9
297.11319	100.0
297.24426	1.9
298.11679	7.1
298.14474	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	297.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75494	0.5
55.67886	0.6
56.24499	0.7
57.03308	1.1
58.00431	0.9
59.01244	4.9
59.75860	0.6
66.09952	0.6
67.29418	0.7
69.03310	1.9
70.37740	0.7
71.00878	1.1
71.01238	13.3
73.02811	8.2
83.04877	1.4
85.02812	3.6
89.02309	2.3
93.03327	2.0
95.04885	5.1
95.06499	0.8
97.02803	10.7
99.07999	1.0
101.02316	6.3
107.04879	2.3
108.01985	1.3
109.02828	1.8
109.06430	0.7
119.04909	1.2
121.02853	1.5
121.06410	2.1
123.04383	8.2
123.08023	9.9
125.05946	2.5
135.04367	2.1
136.72798	0.8
137.05966	7.9
137.09589	0.9
146.03650	0.9
147.04402	1.8
149.05898	1.5
149.09602	4.4
159.04404	4.4
161.09686	0.9
163.03917	1.0
165.09099	12.4
172.84082	0.8
179.10640	1.2
187.03957	3.4
187.11229	1.2
188.04710	6.5
191.10748	4.6
193.08765	0.9
195.10194	7.5
197.04491	2.0
203.10725	3.1
205.25337	0.7
207.10246	5.2
215.10672	3.6
219.10219	22.1
220.10420	1.0
221.11798	16.1
231.10231	100.0
232.10522	4.6
233.11719	5.2
237.11385	1.7
237.41193	0.8
238.06175	1.1
243.10281	2.5
249.11313	28.2
250.11681	1.5
252.07921	0.8
253.05074	1.4
259.09613	1.1
261.11285	3.8
265.10931	0.8
267.12436	2.4
279.12268	1.1
282.05328	0.9
282.09018	0.9
297.03989	1.8
297.07529	2.0
297.10550	1.0
297.13361	2.7
297.18689	6.5
297.24280	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1343
Annotation	Amoenin
Peak:m/z	Relative Intensity
54.86895	1.0
55.01744	1.5
57.03311	3.2
59.01023	0.9
59.01245	11.3
67.01717	1.3
69.03304	4.9
71.01234	10.1
71.04881	6.1
73.02811	2.8
75.00727	2.4
75.94345	1.1
79.05402	1.3
81.03310	4.4
81.33905	1.1
83.01228	4.2
83.04877	11.7
84.02017	9.9
85.02800	14.0
85.06425	1.9
85.39411	1.2
86.98440	1.2
87.00697	1.6
87.04365	4.9
93.03304	2.8
95.01242	1.5
95.04894	6.1
95.55953	1.2
97.02814	5.5
97.06428	9.0
98.03603	1.6
99.04369	4.6
99.07991	1.9
101.05928	2.3
106.04159	1.9
107.04879	8.7
108.02052	1.9
109.02797	2.4
109.06448	4.3
111.04372	50.9
111.08008	39.2
111.08781	1.7
112.04671	1.7
113.02287	8.5
113.05904	1.8
117.01785	1.4
119.04859	2.5
120.05616	1.2
121.06454	8.3
122.03593	1.6
123.08013	12.1
124.05187	2.0
125.02336	1.7
125.05930	3.7
125.09613	2.7
127.07507	20.3
133.06454	5.7
134.03639	2.2
134.04570	15.6
135.02850	1.3
135.04292	24.5
135.08057	8.8
136.05179	2.3
137.05934	7.0
137.09610	2.8
139.07529	14.5
139.11186	1.3
145.06500	1.8
147.08066	2.7
149.05954	4.4
149.09583	1.6
150.06711	2.7
151.07524	22.8
151.11063	2.0
152.04648	1.7
155.07028	100.0
156.07381	3.7
161.05885	1.5
161.09567	2.4
162.96609	1.6
163.07516	3.5
163.11174	5.1
165.05490	7.6
165.09082	2.9
165.12785	1.3
167.07071	10.9
169.08568	7.1
171.08057	1.4
171.11760	2.0
175.02501	1.5
175.11171	4.5
177.09129	2.5
177.12709	4.2
179.07065	1.3
180.07791	1.7
184.08833	3.2
187.11194	4.4
189.12863	2.6
191.10699	2.4
195.06610	1.4
195.13745	2.0
199.11215	8.3
201.09145	1.6
202.09990	1.6
203.10754	1.5
205.12242	10.4
217.12294	18.9
221.11754	3.4
223.13298	1.6
235.13385	8.2
239.09094	1.9
253.14430	48.7
254.14775	3.3
279.12527	3.6
297.13428	77.7
297.18610	2.4
297.24362	5.7
298.13522	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	297.1344
Annotation	Amoenin
Peak:m/z	Relative Intensity
55.01737	0.8
57.03316	15.3
59.00975	0.7
59.01242	10.0
60.14506	0.7
65.03836	0.8
69.03307	2.4
71.01229	3.2
71.04878	6.6
72.99167	1.0
73.02803	13.8
79.05374	2.5
80.02509	1.1
81.03311	8.2
83.04884	10.9
84.02009	1.5
85.02819	4.7
85.06434	1.4
87.00723	1.1
87.04372	2.3
92.62186	0.7
93.03333	2.1
95.04881	18.1
97.02805	2.7
97.06445	5.4
98.02223	0.7
98.03595	0.9
99.04367	9.7
106.04096	0.8
107.04894	4.8
109.02811	12.7
109.06449	6.0
111.04391	4.1
111.08004	5.1
113.02351	1.0
113.05943	28.1
114.06293	0.7
119.04913	1.5
119.08514	5.3
120.05647	1.1
121.02833	1.0
121.06448	14.9
122.03625	6.5
123.04379	1.1
123.08023	4.6
124.05172	0.9
125.02366	0.9
125.05936	2.6
133.06433	1.8
135.04393	9.3
135.08025	6.0
136.05167	4.6
137.05965	13.2
137.09605	4.3
137.10530	0.9
139.07516	10.1
139.11272	0.9
144.05646	0.8
147.08018	4.3
149.05942	1.5
149.09554	4.2
151.03865	1.4
151.07503	2.7
152.38347	0.7
153.05435	3.6
153.09111	6.4
155.07034	2.7
157.04955	9.2
157.10034	0.8
159.04457	1.1
159.08037	3.3
159.11726	1.1
161.05894	1.0
161.09578	2.8
162.06772	2.8
163.07578	1.3
163.11192	3.2
165.05469	1.3
165.09122	5.4
165.12798	1.3
166.06236	1.3
167.07016	0.8
167.10712	1.9
169.10123	7.7
171.08099	1.7
173.09637	1.4
174.06743	1.4
175.07567	1.7
175.11136	4.0
176.08333	1.0
177.09135	12.2
177.12791	2.2
179.07065	1.4
180.07849	1.4
184.07350	0.9
185.08037	0.8
185.09718	0.9
187.07613	1.5
187.11205	17.4
189.09093	1.0
189.12770	5.2
191.10693	1.7
193.08458	0.8
193.12268	1.8
195.10149	2.7
199.11244	3.9
201.09125	1.3
202.09933	3.7
205.12251	11.9
207.13834	1.5
209.11694	1.0
217.12296	15.9
220.10777	1.0
223.13390	3.8
224.52998	0.8
224.56140	0.8
225.05833	1.3
233.11858	1.8
235.13332	13.8
236.13820	1.1
239.09331	1.4
251.12767	1.2
253.14444	21.4
254.14761	1.7
279.12280	3.0
297.13443	100.0
297.24066	1.6
298.13721	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	297.1343
Annotation	Tehranolide
Peak:m/z	Relative Intensity
51.63364	0.4
52.24004	0.5
55.01731	0.7
55.04377	0.5
57.03315	3.5
59.01238	7.5
63.02252	0.5
69.03313	0.5
71.01230	1.0
73.02808	1.0
75.00726	1.0
78.09293	0.5
78.91745	0.8
78.95749	2.2
81.03306	1.8
83.02836	0.9
83.04879	67.3
84.05208	1.5
85.02792	1.1
87.00732	0.8
89.02291	1.0
90.98462	0.5
93.03324	1.5
95.04884	0.7
96.96823	1.9
97.06425	0.9
99.04345	0.7
101.02321	1.0
102.05451	3.8
103.03845	3.9
103.05785	1.1
104.03434	1.1
107.04845	0.7
108.01826	0.5
109.02785	0.9
109.06462	5.4
111.04377	3.7
116.07058	0.7
117.01762	0.7
117.05437	2.3
118.04983	1.0
119.04858	0.6
120.05658	1.5
121.06442	1.6
122.03578	0.7
123.08059	0.6
133.06473	1.1
135.04372	1.1
135.08011	4.7
147.08052	9.0
149.05974	0.6
149.09567	1.1
151.07544	4.0
153.05464	24.5
157.06425	0.7
159.08066	0.6
161.04373	0.7
161.09645	0.8
163.11172	1.9
168.41019	0.5
169.10095	3.6
171.08022	2.8
173.04457	1.1
173.64487	0.5
174.04723	1.4
175.11131	1.3
185.09647	0.5
187.11208	17.1
188.11499	0.9
190.09921	1.5
191.10608	0.8
205.12277	22.0
206.12610	1.1
235.13370	23.3
236.13649	1.3
253.14496	2.2
275.92520	0.6
297.13446	100.0
297.24438	2.3
298.09988	1.0
298.13770	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	297.1707
Annotation	Tetranor-PGD1
Peak:m/z	Relative Intensity
57.03292	1.4
58.43269	0.4
59.01241	4.3
61.93172	0.4
63.93692	1.3
63.94033	0.9
65.86247	0.5
71.01237	0.8
71.04866	4.1
73.02786	1.0
78.05556	0.4
81.03294	0.9
83.04858	1.1
85.02779	0.6
85.06416	1.4
89.02280	0.5
93.03299	0.8
95.04852	1.2
97.02808	0.8
98.02380	0.5
99.08022	2.4
103.03824	0.6
106.04094	1.7
107.04855	2.1
109.02792	0.8
109.06441	1.1
111.07986	0.9
115.07516	3.3
117.06918	1.0
119.04896	1.4
121.02802	3.0
121.68403	0.5
123.04363	1.1
123.05195	0.5
123.07962	0.5
125.05946	0.5
126.44334	0.5
133.06421	0.6
135.04364	1.1
137.09575	0.9
139.07594	0.4
145.06416	0.6
147.08104	0.5
149.09576	0.5
151.03812	0.5
161.09506	0.5
163.07480	1.1
163.11192	8.4
181.08536	0.6
187.11157	1.3
191.10725	8.3
200.80876	0.6
209.15414	2.2
211.16916	0.9
217.12337	1.4
217.15915	2.2
219.60907	0.5
233.15443	23.5
234.15752	1.4
235.13248	4.4
235.17006	100.0
236.17349	5.6
253.14424	1.5
253.18036	4.7
267.12292	1.0
279.16019	84.5
280.16397	5.0
297.10083	1.4
297.13419	21.9
297.17120	16.0
297.24213	3.5
297.27579	0.9
298.13879	1.4
298.17300	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76281	0.1
52.99262	0.1
55.84872	0.1
57.17710	0.1
59.01231	0.2
59.93301	0.1
60.05037	0.1
66.97985	0.1
67.43228	0.1
72.06911	0.1
79.95588	0.1
80.82520	0.1
99.07991	0.1
157.39436	0.1
183.01126	0.4
197.15396	0.8
214.98784	0.1
223.20721	0.1
224.61324	0.1
251.23755	1.1
261.22238	0.1
279.23273	2.7
280.23819	0.2
295.22833	1.1
297.24350	100.0
298.24698	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	297.2436
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
56.18128	0.3
56.67287	0.2
57.03317	0.4
59.01238	0.5
130.47908	0.3
139.11165	1.5
155.14293	0.9
167.61156	0.4
183.01109	1.5
223.69080	0.3
251.23947	0.4
253.25410	1.3
279.23279	0.7
297.15497	3.4
297.24359	100.0
298.24710	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	297.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39437	0.4
59.01225	1.0
59.59610	0.4
69.36414	0.3
79.78728	0.4
82.48737	0.4
84.19378	0.3
127.11112	0.6
169.12227	7.3
183.01135	1.4
201.47429	0.4
236.98923	0.4
279.23276	14.1
280.23685	0.9
295.22818	1.2
297.15765	2.7
297.24344	100.0
298.24658	6.3
314.86734	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80211	0.4
55.72277	0.4
56.53273	0.4
59.01242	1.3
70.75622	0.5
76.28305	0.5
82.52270	0.5
84.34141	0.5
88.94871	0.6
139.10985	0.5
141.68738	0.6
155.14305	0.9
183.01128	1.8
183.13860	1.8
185.11783	1.7
191.63229	0.5
199.13362	7.2
200.13702	0.5
209.46074	0.6
269.56491	0.7
279.23291	11.1
295.22897	1.3
297.15665	4.2
297.24353	100.0
298.24695	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	297.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	0.9
72.00576	0.5
72.00938	0.3
73.71061	0.3
76.90566	0.3
83.04898	0.4
93.73400	0.3
111.08015	0.5
113.09572	0.8
115.45293	0.4
126.38793	0.3
157.08592	10.3
157.09840	0.7
158.08971	0.3
164.88983	0.4
169.12236	1.0
183.01109	1.4
191.41812	0.3
236.30130	0.3
261.22226	1.1
279.23312	16.8
280.23581	1.2
295.22900	0.9
297.15622	2.9
297.24359	100.0
298.24695	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0194
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
57.03302	2.3
59.01229	2.2
63.02255	4.5
65.00182	1.6
69.03310	0.9
71.01225	1.1
71.04871	5.2
71.12576	1.1
73.02800	2.3
83.01221	0.9
83.04883	2.6
85.02854	1.4
85.06431	1.9
87.00725	0.8
87.04371	2.2
91.01720	1.0
93.03321	1.4
93.49844	0.6
95.04942	0.6
97.06444	2.5
99.00737	0.7
99.04375	1.6
99.08005	5.8
101.05898	0.7
107.01223	3.3
107.04904	1.2
109.02795	4.6
109.06448	2.8
111.04359	2.0
111.08015	1.1
113.05955	1.1
113.09576	6.9
115.05393	0.8
115.07506	1.5
123.04359	0.8
125.02308	1.1
125.05966	1.9
127.07471	0.7
129.09076	1.1
133.02829	6.9
135.00751	1.5
137.02289	1.4
137.05989	1.5
138.45099	0.6
139.07491	1.7
139.11137	0.8
143.04916	3.4
145.02789	1.5
147.00804	0.7
147.04427	1.0
151.00229	1.5
153.09074	0.6
155.04997	1.8
155.07039	1.1
157.02811	2.7
157.08594	22.6
159.04396	1.2
167.10664	1.2
169.02779	0.8
170.03671	0.8
171.04401	6.1
173.02370	1.8
173.08089	2.5
175.03920	3.4
181.04935	0.8
182.03705	0.6
183.04419	1.1
187.03868	3.5
193.12294	1.9
195.10231	1.3
197.02335	1.5
198.03178	2.7
199.03941	14.1
199.06041	2.4
200.04468	1.0
201.01854	5.2
201.12939	0.8
203.03474	1.2
207.14046	0.7
211.13277	0.9
213.01875	0.8
214.02673	0.8
215.03435	4.1
219.13882	1.3
225.14987	1.2
226.02718	2.5
227.03444	6.2
237.14885	2.4
241.01506	0.7
242.02174	1.2
243.02972	8.0
254.14870	1.4
255.02971	3.6
255.15959	4.0
269.13840	1.3
271.02496	87.9
272.02756	5.0
281.13998	4.7
282.01740	1.1
298.13794	1.8
299.01971	100.0
299.11462	2.4
299.15005	44.9
300.02533	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	299.056
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.26796	0.2
57.25024	0.2
59.01191	1.0
63.02259	1.1
64.57284	0.2
65.00160	0.5
65.73373	0.3
66.07716	0.2
69.23566	0.4
72.84789	0.6
72.85221	0.6
73.63536	0.2
76.94441	0.2
83.01188	0.7
93.03245	0.3
107.01259	1.8
111.98909	0.3
114.12160	0.2
125.02248	0.7
132.01999	0.8
133.02750	0.5
134.03532	0.9
137.02281	0.4
145.06194	0.3
148.01595	0.2
150.05437	0.3
151.00253	3.0
152.00726	0.3
158.03535	0.4
169.01321	0.4
183.04366	0.5
184.05052	0.3
187.03891	0.4
188.04652	0.6
199.03908	0.9
200.04669	0.8
211.03932	0.9
212.04797	0.5
214.02583	0.3
217.00256	0.6
227.03430	2.7
228.04253	0.4
239.03430	0.6
255.02994	1.9
256.03751	25.7
257.04108	1.4
270.10452	0.4
270.12775	0.3
283.02536	1.0
284.03259	100.0
285.03598	6.6
299.05606	73.2
300.05945	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0561
Annotation	Ebenfuran II
Peak:m/z	Relative Intensity
57.03305	0.6
58.00452	0.7
59.01237	2.4
62.47419	0.2
67.01765	0.3
67.75008	0.3
70.84843	0.3
72.99171	4.5
73.02819	0.3
75.00331	0.4
75.00732	3.9
78.68221	0.3
78.74564	0.3
81.03316	1.1
83.04884	1.0
87.04375	3.3
93.03304	0.7
95.04874	0.4
97.06439	0.9
99.08016	10.3
99.42716	0.3
101.05923	1.5
103.01730	0.8
105.03336	0.4
106.04182	0.3
107.04879	1.1
108.02041	1.8
108.99529	1.1
109.02816	100.0
109.05695	1.3
109.06438	0.6
109.56720	0.3
110.03134	2.3
111.04386	0.8
111.08007	2.2
117.03329	4.7
118.61674	0.3
119.04868	0.5
123.04356	0.4
123.07980	0.5
124.05151	0.7
125.02306	0.5
125.05937	0.3
127.07523	0.4
133.02824	2.4
134.03641	1.5
135.04420	1.9
136.05202	0.6
137.02327	1.0
139.11180	0.4
145.02853	4.7
147.00728	0.7
148.01585	0.3
149.09642	1.3
151.11171	0.6
153.12724	0.4
160.01582	0.9
161.02347	13.9
162.03096	1.6
163.11166	0.9
165.12778	0.7
167.10651	0.6
167.14285	0.9
169.12318	0.3
173.02351	5.1
175.11255	0.9
175.17847	0.3
181.12270	3.8
189.01860	48.2
190.02620	13.7
191.03033	0.5
193.12280	7.2
194.12724	0.3
211.13353	3.8
213.05560	0.6
219.13788	0.4
227.12831	0.8
237.11320	0.5
255.12314	0.4
269.04498	0.5
284.06720	0.5
299.02167	0.6
299.05789	4.5
299.08914	1.1
299.11517	1.7
299.15024	2.8
313.16385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0561
Annotation	Peltochalcone
Peak:m/z	Relative Intensity
51.99169	0.2
53.15511	0.2
53.56667	0.3
53.95192	0.2
59.01236	0.5
59.77724	0.3
60.42107	0.2
73.02794	0.2
81.03308	0.8
91.01759	0.3
91.05421	0.4
93.03320	1.3
95.04870	0.3
99.08001	2.8
102.67912	0.3
103.01764	0.4
105.03330	0.3
107.04897	0.8
108.02027	4.7
108.99809	0.9
109.02813	71.6
109.06276	0.8
110.03156	1.8
111.00741	1.2
113.83113	0.2
117.03327	3.7
119.04894	1.4
121.02827	2.0
123.00750	1.1
124.01523	0.9
125.02326	0.3
133.02820	4.7
134.03621	5.6
135.04399	4.7
136.01569	0.5
137.02336	1.7
139.00290	0.3
139.03868	0.4
145.02835	5.2
147.04419	0.4
149.02280	0.4
153.01840	0.4
160.01572	0.7
161.02335	26.1
161.08374	0.3
162.03120	7.2
163.03903	24.4
164.04257	0.7
167.14209	0.3
173.02342	12.3
174.02820	0.4
177.01840	1.1
179.03412	0.3
181.06464	0.3
188.01085	0.3
189.01855	28.6
190.02618	9.8
191.03287	0.5
194.02174	2.0
209.06134	0.4
210.06549	0.3
211.13216	0.7
215.03363	0.3
225.05847	0.3
227.03487	0.7
229.04959	0.6
237.05563	0.5
238.06039	0.4
239.06412	0.3
253.05141	0.5
271.02631	0.4
271.06110	0.4
281.04587	0.9
283.05829	0.3
284.06061	0.6
299.05603	100.0
300.05920	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	299.0562
Annotation	Mopachalcone
Peak:m/z	Relative Intensity
57.03324	0.8
59.01246	3.5
66.02572	0.6
71.01237	0.9
71.04903	0.6
73.02780	0.9
91.01712	0.8
93.03326	1.0
95.01270	0.6
96.84377	0.7
99.08018	1.8
108.02032	5.9
109.02816	95.9
110.03154	1.8
111.00742	2.1
111.08064	0.7
115.07568	0.8
117.03325	1.6
123.00768	2.6
124.01529	2.0
132.02008	0.8
133.02843	13.2
134.03656	3.3
135.00734	1.7
135.04398	100.0
136.03815	0.7
136.04692	3.3
137.02310	2.7
145.02788	0.9
147.00842	1.4
161.02338	52.8
162.02974	2.0
163.00279	2.4
163.03918	2.7
174.99139	1.3
183.04402	1.1
183.06636	1.2
184.68451	0.8
185.02194	0.7
189.01866	6.2
190.02586	1.4
193.12268	0.7
199.03923	1.8
211.03981	1.0
213.05504	1.6
217.00307	4.0
219.18591	0.7
227.03461	5.9
229.05037	5.1
241.04936	1.1
255.02960	8.8
269.04605	0.8
271.02328	0.7
271.06042	1.0
281.04532	3.5
298.13834	1.5
299.02029	10.6
299.05649	54.5
299.08801	2.3
299.15439	4.6
299.25891	1.2
300.05936	3.6
304.77313	0.8
311.14517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77813	0.3
57.03326	0.3
57.87702	1.5
57.88032	0.5
59.01231	0.7
59.74514	0.3
65.03799	0.3
69.03311	0.3
72.99152	2.4
73.02793	0.3
76.51093	0.3
81.03326	0.4
83.04874	0.8
92.02520	0.4
93.03313	40.9
93.05750	0.6
94.03645	0.8
95.04851	0.8
96.95860	1.3
99.08018	1.0
100.12104	0.3
101.05953	0.6
107.04903	0.7
107.16698	0.4
108.02038	0.9
109.06431	0.3
111.04382	1.4
112.14520	0.3
117.03330	6.2
117.55761	0.3
120.11466	0.3
120.62470	0.3
121.02824	1.0
122.41478	0.5
123.04404	2.0
133.02933	0.4
135.04439	0.6
137.02339	0.4
141.06999	0.8
143.04941	0.7
155.04929	0.4
156.05737	0.5
163.11168	0.4
165.07040	0.9
167.04938	1.3
169.06464	1.6
177.55305	0.4
179.10507	0.4
181.06517	1.1
181.12230	0.8
182.07230	2.7
183.04419	0.5
183.08107	2.6
187.03984	0.6
193.06512	4.4
193.12248	3.0
195.04416	1.4
196.05276	0.7
197.11824	0.6
199.03966	0.8
199.06056	0.4
208.05264	0.6
209.06032	8.9
209.07870	0.7
210.06796	10.3
211.07588	100.0
211.15872	0.9
212.07928	4.4
227.03497	1.9
229.05034	0.5
237.05521	1.0
242.02217	1.5
243.03006	2.9
253.01434	1.1
255.06624	92.2
256.06970	5.0
269.00897	0.5
270.53192	0.5
271.02393	1.8
278.04553	1.1
281.00882	1.2
299.01935	3.2
299.05609	2.8
299.11542	0.8
299.15018	2.0
317.56668	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86668	0.3
52.51798	0.2
55.20737	0.3
57.03318	0.5
57.71870	0.3
57.97227	0.2
59.00970	0.5
59.01243	5.8
71.04870	0.3
72.99163	1.1
81.03342	0.5
81.94348	0.3
85.02784	0.3
97.06448	0.6
98.03599	2.6
98.37476	0.3
99.00736	2.8
99.05257	1.2
99.08013	100.0
99.10410	1.2
100.08350	2.3
101.02365	0.3
109.02837	0.3
109.06430	0.6
112.36526	0.3
113.09585	0.7
123.08012	0.8
125.02292	1.8
125.05976	0.7
137.09602	0.8
139.07550	0.3
139.11172	1.3
153.09145	0.6
155.04898	0.3
155.10660	7.0
157.08598	0.9
159.76172	0.3
162.03236	0.5
167.14317	10.5
171.04430	0.7
181.12323	0.5
182.03636	0.8
183.04453	1.0
183.06462	0.5
187.09830	0.3
193.12251	2.1
198.03206	0.4
199.03932	1.3
207.13939	0.6
211.03975	1.1
211.13342	23.1
212.13647	1.1
213.05571	0.5
214.06064	0.3
226.02850	0.4
227.03476	6.1
228.03760	0.6
237.11223	1.6
243.03012	1.0
255.03069	2.7
255.12363	8.4
256.12845	0.5
270.01822	0.7
271.02521	0.9
284.03201	0.5
299.02005	17.8
299.05460	1.1
299.11398	8.5
299.14999	2.7
300.02332	0.8
300.11765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56755	0.9
51.75639	0.7
57.03310	3.8
58.78803	0.6
59.01240	2.0
63.96091	1.0
64.35531	0.8
71.01246	1.8
72.99174	2.0
73.02816	0.9
81.03339	1.6
83.02841	1.1
83.04877	45.0
85.02806	1.4
85.03529	0.9
87.04372	3.8
93.03329	1.5
95.04894	1.0
97.02802	1.2
97.06465	2.0
99.04376	4.0
99.08015	35.9
101.02324	2.5
101.05936	21.9
107.04890	10.8
109.06458	10.1
111.04379	79.6
111.07979	1.0
113.02284	1.1
117.97176	1.7
119.04955	1.1
119.08531	3.5
127.03908	2.2
127.07536	1.9
135.04401	18.6
135.98238	2.8
136.05191	9.3
137.09663	1.0
139.07532	2.9
151.07509	1.2
153.09134	5.9
157.68117	0.9
161.09636	5.0
165.12788	2.2
175.11180	15.6
179.10756	3.6
180.17123	0.9
193.12273	100.0
194.12636	3.5
197.11789	6.2
237.11337	2.4
241.10829	6.0
255.12428	3.7
299.11411	3.5
299.15012	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	299.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.2
57.99664	0.7
59.01235	2.3
67.95683	0.7
68.98267	1.0
72.99165	25.3
81.03334	5.6
83.02925	0.9
83.04877	43.1
84.05190	1.1
88.77886	0.7
96.95901	1.2
97.06450	1.2
98.09888	0.8
99.04376	12.7
99.05415	0.9
99.08012	45.9
101.02315	4.0
101.05937	18.4
107.04891	12.6
109.02883	0.9
109.06459	8.4
111.01377	1.1
111.04380	74.7
112.04715	2.0
117.97950	0.8
119.04884	1.7
120.99510	1.3
124.05206	1.0
125.94506	0.8
127.03893	1.9
135.04390	17.7
136.05180	11.3
153.09106	3.5
153.98528	0.8
160.08852	0.9
163.11224	3.8
165.12701	1.7
171.04314	1.0
173.09731	1.3
175.11198	14.7
177.09131	3.4
181.12335	3.0
187.03894	2.0
193.12262	100.0
194.12572	4.3
199.03964	1.3
219.10228	1.1
227.03331	4.0
237.11263	6.6
242.02229	3.5
243.02989	9.2
253.01389	2.1
255.03008	2.3
255.12207	4.9
271.02478	4.0
271.79514	0.9
281.00760	2.1
299.01941	7.9
299.11417	6.6
299.15057	2.7
300.02374	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.15
Annotation	Cycloparvifloralone
Peak:m/z	Relative Intensity
57.03321	3.7
59.00977	0.4
59.01245	6.2
65.08734	0.4
69.03310	0.7
71.01249	0.5
72.99152	0.6
73.02804	2.0
75.69139	0.5
81.03295	0.9
83.04883	1.7
89.79104	0.3
91.05373	1.6
93.03312	0.7
93.06957	0.4
95.04891	3.9
97.06468	0.7
99.08014	100.0
99.10699	1.3
100.08356	2.5
101.05930	0.7
106.04059	0.4
107.04864	1.0
109.02863	0.8
109.06450	12.4
110.03584	1.4
110.06796	0.4
111.04372	0.6
111.08060	0.5
113.01157	0.4
113.05975	0.9
113.09580	1.0
115.07539	1.3
119.04842	0.9
121.06467	8.3
123.08031	2.3
125.02326	3.7
125.05944	2.2
125.09569	0.5
134.03543	0.4
135.04475	0.5
137.02399	0.6
137.05965	0.7
137.09627	0.5
139.07520	2.2
139.11162	2.3
147.00742	1.0
148.01430	0.6
157.08580	1.1
161.05966	1.0
162.03116	0.7
164.20200	0.4
165.12770	1.3
167.14334	8.2
179.10612	0.5
183.06546	47.3
184.06810	1.4
189.12769	0.7
191.14258	0.9
193.12209	3.8
205.12297	0.6
207.13849	5.3
209.15425	0.5
211.13347	17.1
212.13667	0.8
213.05519	1.4
219.13870	3.9
225.14871	0.9
227.03484	0.5
237.11359	2.6
237.14928	5.4
241.05049	0.5
251.12811	2.0
255.02936	0.7
255.12242	2.1
255.16196	0.6
269.04453	0.8
281.10504	0.4
281.14005	1.1
284.06879	0.8
284.10345	0.6
299.01950	1.7
299.05505	0.8
299.11444	8.6
299.14981	31.9
300.15347	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	299.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53059	0.4
57.03313	3.1
57.52491	0.6
57.63054	1.2
57.63296	0.6
58.00496	0.5
59.01237	4.1
65.19106	0.5
65.26808	0.5
69.03308	3.5
71.01231	3.2
71.04872	2.1
73.02801	7.9
74.75237	0.6
75.00720	0.6
77.08127	0.6
81.03330	1.3
83.04881	4.4
85.02776	0.9
85.06444	1.5
87.04367	1.2
91.05385	1.8
91.72766	1.0
93.03323	2.4
93.06971	0.7
95.04868	2.0
97.02830	1.0
97.06450	2.1
99.04355	1.6
99.08009	3.5
101.02317	0.7
101.05928	3.6
107.04895	1.8
109.06451	13.1
110.03584	1.3
111.04363	2.1
111.08027	2.6
111.22800	0.6
111.35876	0.6
113.02306	2.6
113.05972	1.2
115.03879	1.7
115.07506	4.1
117.06942	1.2
119.04884	5.1
121.06461	7.2
121.10045	1.2
123.04358	0.9
123.08019	6.7
125.02290	1.9
125.05927	1.5
125.09547	0.8
127.07525	2.6
133.06497	0.8
135.08017	2.6
137.02306	2.0
137.05968	1.1
137.09624	2.0
139.07510	3.6
139.11177	2.4
149.09586	1.1
153.09122	2.9
155.07068	1.0
155.10690	0.7
157.08585	2.1
159.07974	0.7
161.09630	1.5
167.10631	1.0
169.12250	2.6
171.06561	1.2
171.11597	1.1
179.10690	2.1
179.14264	1.8
181.04823	0.7
181.12234	0.7
183.06541	46.3
183.10126	1.3
184.06900	1.8
189.12816	1.9
191.14346	1.5
193.12238	2.4
197.11833	1.5
199.06052	1.8
201.12775	2.1
203.10672	0.9
207.13853	4.8
209.15411	6.4
219.13872	5.8
223.13388	1.5
225.14879	1.5
237.14909	5.4
241.10905	3.1
255.16022	6.6
269.14136	1.0
281.11182	0.7
281.13751	3.3
299.14996	100.0
300.15302	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	299.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63132	0.4
57.03302	0.9
59.00974	0.6
59.01244	8.3
60.92877	1.7
60.93178	1.1
65.74777	0.6
91.72738	0.7
99.92427	0.9
115.86002	0.5
116.92725	3.6
118.52953	0.6
125.93074	0.6
137.02443	0.6
147.00851	0.7
174.99086	3.2
199.16805	1.0
217.00252	11.5
221.19046	1.0
223.20633	100.0
224.20953	5.0
267.19666	97.6
268.19998	5.8
285.20728	10.3
286.21069	0.8
299.09363	2.2
299.12650	0.9
299.22256	42.6
299.25882	12.1
300.22586	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	299.2383
Annotation	12-Methylferruginol
Peak:m/z	Relative Intensity
53.57233	0.4
55.67807	0.4
75.53777	0.4
88.28662	0.4
92.02552	0.6
105.93445	0.5
106.04123	2.9
107.04900	2.2
108.02020	0.8
117.88058	0.5
119.04894	11.4
119.97886	0.5
120.43016	0.5
121.02811	5.8
124.11747	0.4
133.06482	4.1
137.02324	1.2
147.08031	0.7
161.09592	0.6
163.12920	0.5
175.03020	0.6
175.11221	1.1
202.89679	0.5
205.27832	0.5
276.79462	0.5
299.23807	100.0
300.24216	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	301.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38603	0.7
53.32697	1.1
53.93895	0.5
57.84986	0.6
58.99918	0.8
59.01241	77.4
59.02434	1.4
60.18075	0.6
91.72792	0.8
109.84930	0.7
114.98730	0.8
115.02370	6.5
116.98505	1.0
117.00298	14.5
138.48157	0.7
156.90315	1.0
156.92963	0.9
157.03488	2.1
158.89903	0.9
159.01389	100.0
160.01520	4.0
190.04503	0.8
201.02478	20.7
202.02490	1.2
203.02293	0.9
217.00517	1.3
259.01611	3.5
301.02661	45.5
301.25372	2.0
302.02826	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	301.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55342	0.3
51.41974	0.3
51.74623	1.5
51.74847	0.7
54.52790	0.4
56.04757	0.4
57.06273	0.8
57.06555	0.4
59.01218	0.4
61.56856	0.3
61.58443	0.4
62.20290	0.4
63.01969	0.7
63.02262	7.4
65.00183	12.6
66.00532	0.4
69.03328	0.4
79.21186	0.5
83.01234	7.9
83.04861	0.7
93.03308	4.1
95.01235	0.7
99.08012	1.3
107.01248	21.0
108.99149	0.6
109.02818	3.4
110.36459	0.5
121.02821	19.7
122.03178	1.0
123.07973	0.5
124.01563	0.5
125.02309	0.9
125.09605	0.6
128.03404	0.9
134.03551	0.5
139.03923	2.2
143.04861	0.7
148.01508	0.5
149.02301	2.3
151.00255	63.0
152.00552	2.6
157.08606	1.1
159.04448	0.9
161.02396	0.9
161.05923	0.5
163.00310	1.6
163.03978	0.8
164.01028	2.1
169.01343	4.5
178.99768	21.5
180.00192	0.8
183.04472	0.7
187.03973	1.0
192.00604	0.9
193.01274	1.2
193.15887	0.7
195.17357	0.8
199.03825	0.8
201.05602	0.7
211.03967	1.5
213.01904	0.6
221.15523	0.7
227.03505	1.4
228.04100	0.5
229.05054	1.9
239.16560	0.9
243.02977	0.8
243.63666	0.5
245.04611	2.4
248.22887	0.5
255.03160	0.8
256.03668	0.7
257.04648	0.5
273.04010	3.4
299.02338	0.6
300.02274	0.5
301.03540	100.0
301.16559	8.8
301.20267	4.1
302.03885	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	301.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93837	0.4
52.14911	0.7
53.48122	0.3
56.97461	0.3
59.36449	0.3
65.00195	0.4
65.03796	0.4
65.99713	0.4
75.02266	0.4
78.12365	0.4
81.03321	3.4
91.01761	3.1
93.03316	17.2
95.01239	0.7
99.32161	0.5
106.84481	0.4
107.01247	3.3
108.02039	5.9
109.02815	66.9
109.05640	0.7
110.03159	0.8
119.01250	9.4
121.02824	16.2
123.00761	1.9
124.01566	0.6
125.02306	2.2
133.02805	0.7
135.10582	0.3
136.01619	0.5
137.02327	9.4
139.03880	2.1
147.00764	29.6
148.01566	5.1
149.02319	3.6
150.96118	0.4
151.00256	10.1
152.01059	5.1
153.01828	48.2
154.02187	1.1
163.00304	0.4
165.01825	5.4
185.05980	1.0
201.05566	0.9
211.04007	0.4
229.05002	0.6
233.48289	0.5
245.04576	1.3
257.04498	1.9
273.04108	4.4
301.03549	100.0
302.03864	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	301.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58128	0.1
54.84780	0.2
58.31282	0.3
62.99735	0.2
64.43636	0.2
64.71375	0.3
67.27867	0.4
67.28181	0.2
67.44918	0.2
70.20810	0.2
84.74698	0.2
86.83242	0.2
88.60984	0.3
91.72699	0.4
113.03876	0.3
114.04607	0.3
141.03339	0.8
142.04164	1.6
143.10205	0.2
145.02817	0.8
157.02856	0.4
158.02374	0.4
158.03621	6.4
159.03969	0.2
161.02292	0.5
170.03610	0.6
184.13255	0.2
185.02357	2.7
186.03149	45.9
187.03464	1.6
197.02362	0.7
198.03152	2.6
201.01915	1.0
213.01904	4.0
214.02666	33.2
215.02979	1.4
229.01401	3.5
241.01459	0.8
241.92242	0.8
242.02188	78.4
243.02504	4.0
256.03799	0.2
257.00967	0.4
257.04565	3.8
286.01196	4.7
296.93924	0.2
301.03549	100.0
302.03903	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	301.0354
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.30475	0.5
57.03320	7.6
59.01234	1.0
60.78416	0.7
63.02253	3.2
65.00172	4.4
67.50798	0.5
71.04884	1.4
71.63058	0.7
72.99162	1.0
81.03297	0.6
83.01243	5.9
83.04879	1.1
85.06438	4.5
91.50700	0.6
91.73147	1.0
93.03316	7.5
95.01258	1.6
95.04892	0.7
95.78963	0.6
97.06430	1.1
98.03075	0.6
99.08015	4.8
107.01241	6.0
107.04878	1.9
108.03669	0.6
109.02827	1.4
109.06406	1.4
111.00763	0.8
111.08035	1.4
113.05946	7.2
113.09610	1.3
115.03850	1.2
115.05341	0.9
117.03330	1.5
119.01266	1.4
119.04891	1.2
121.02816	11.2
123.08022	2.4
123.87003	0.6
124.01554	2.4
125.02316	32.0
125.05979	2.6
126.02613	1.0
130.91966	0.7
135.00757	0.9
135.04405	2.8
137.02328	2.8
139.03897	2.6
140.54364	0.7
143.04892	1.6
145.02846	2.3
147.00795	1.1
147.04390	1.8
149.02335	8.2
150.10938	0.6
151.00247	14.3
152.01042	2.9
155.04938	1.5
157.06425	1.1
159.04385	4.1
161.02330	1.4
161.06062	0.8
163.00328	0.9
163.03896	3.8
165.01773	1.0
165.12741	2.0
167.04919	0.9
169.01378	1.0
171.04375	0.8
173.02399	1.0
177.01924	1.1
178.99803	4.8
183.04440	4.8
185.06015	1.3
187.03929	7.0
189.05505	1.5
191.03412	2.8
195.04373	0.7
199.03946	2.6
199.06058	2.3
201.05568	2.9
203.03409	1.0
205.04980	2.2
209.15485	1.1
211.03973	3.7
213.05562	0.8
215.03448	5.2
217.05009	1.0
227.03464	5.3
227.12846	3.2
227.16585	2.2
229.05032	2.0
233.04610	1.1
239.03566	0.8
245.04579	1.7
255.02943	4.9
257.04422	1.3
273.04053	41.8
274.04407	1.4
283.02438	0.9
283.15579	2.1
301.03540	100.0
301.12900	10.5
301.16586	24.0
302.03995	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	301.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34773	0.6
59.01225	0.8
59.97084	0.3
63.02248	0.7
64.88197	0.3
65.00184	2.1
65.45337	0.3
69.03295	0.3
74.34531	0.3
77.03844	0.3
77.15994	0.3
83.01247	1.4
83.04875	0.4
83.72491	0.3
85.51188	0.3
91.72724	0.6
93.03305	1.3
95.01253	0.3
97.02834	0.3
97.58577	0.3
99.07998	1.5
100.65927	0.3
105.03307	0.7
107.01247	4.1
107.04873	0.3
109.06441	0.9
111.08009	1.3
119.04845	0.3
120.78471	0.4
121.02821	1.3
121.06472	0.5
122.03671	0.3
125.02290	0.5
128.03397	1.1
133.02751	0.3
135.04326	0.4
136.69418	0.3
139.07529	2.9
148.01476	0.3
149.02330	27.3
149.06906	0.5
150.02689	0.6
151.00253	8.2
152.00984	0.5
157.08635	1.3
161.02267	0.6
167.04799	0.3
167.10725	0.4
169.01434	0.3
172.25578	0.3
173.05960	0.4
178.99745	0.6
179.10767	0.3
183.04416	0.6
183.06584	1.4
185.02365	0.4
185.05997	0.3
185.08101	1.4
185.09615	0.3
187.03885	0.5
189.05496	0.4
191.03409	3.2
199.03961	0.4
201.05693	0.6
201.07622	6.7
203.03668	0.3
206.99367	0.5
208.00011	0.5
211.03917	1.0
214.02573	0.3
215.03415	2.0
217.01318	0.4
221.15457	0.4
227.03419	1.5
229.01343	0.4
229.04948	0.7
233.04602	0.9
239.03458	1.5
245.04501	1.7
255.02972	1.9
257.04572	0.9
259.02631	0.4
273.04190	2.3
283.02383	1.0
283.15460	0.8
301.03546	100.0
301.16562	6.7
302.00690	0.5
302.03922	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	301.0718
Annotation	Gnetifolin A
Peak:m/z	Relative Intensity
54.87870	0.2
59.01278	0.3
68.05263	0.2
73.22205	0.4
73.35291	0.6
75.40561	0.3
78.35838	0.2
78.41716	0.3
92.02450	0.3
99.13824	0.3
108.02091	0.3
112.42738	0.3
115.65672	0.3
121.02842	0.7
123.00746	0.4
136.01556	0.6
137.02368	0.4
139.03880	0.7
141.46608	0.3
143.04958	0.7
149.02347	2.1
158.03697	0.4
159.04456	0.6
171.04425	2.6
173.02296	0.3
173.06087	0.5
184.05190	0.3
185.05994	0.6
186.03111	0.9
187.03912	3.1
188.04344	0.4
197.02359	0.3
199.03931	2.7
200.04654	0.4
201.05484	2.0
210.03183	0.7
211.03941	1.5
212.04724	6.8
212.06648	0.4
213.01979	0.7
213.05339	0.6
214.02725	0.6
215.03450	12.6
216.03853	0.5
225.01929	0.3
226.02766	0.4
227.03471	5.2
228.04166	0.8
229.04985	2.6
230.05785	0.7
238.02776	0.6
239.00987	0.4
239.01575	0.2
239.03476	12.0
240.04236	6.2
241.04901	1.1
242.02174	1.6
243.02971	14.5
244.03404	0.9
253.05110	1.0
254.02185	4.0
255.02974	1.3
256.03748	1.1
257.04553	12.0
257.07352	0.4
258.05261	2.7
267.02963	3.8
268.03790	6.8
269.04562	21.1
270.01669	0.7
270.04919	1.2
271.02496	7.2
272.02982	0.6
285.04065	39.3
286.04831	53.8
287.05206	3.2
300.93384	0.9
301.07178	100.0
302.07526	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	301.0718
Annotation	Perforatic acid
Peak:m/z	Relative Intensity
50.28442	0.2
50.28677	0.2
50.34959	0.2
51.04855	0.2
53.57223	0.2
53.89676	0.2
58.32932	0.2
69.08783	0.2
80.57770	0.2
83.04918	0.2
87.84066	0.2
91.72717	0.3
91.84493	0.3
93.03314	13.0
96.05598	0.2
106.04108	22.3
107.01749	1.1
107.04889	100.0
107.07581	1.3
108.02037	0.5
108.05211	2.2
109.02802	0.4
119.04897	0.8
119.45823	0.2
121.02834	0.9
123.00735	0.3
137.02290	0.3
138.03104	2.3
139.03822	0.3
150.03117	6.1
151.03906	1.7
161.31915	0.2
167.02341	0.2
182.02118	2.8
195.02722	0.3
211.07526	0.7
212.71159	0.3
213.09166	30.8
214.09465	1.6
239.07121	1.2
256.57745	0.3
256.96616	0.7
257.08194	85.7
258.08539	5.1
291.72443	0.2
301.03610	0.7
301.07150	7.0
301.12726	0.4
301.16544	0.7
302.07553	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0718
Annotation	Aromadendrin 4'-methyl ether
Peak:m/z	Relative Intensity
50.25008	0.4
59.01234	0.9
59.31461	0.4
65.00176	0.4
65.99706	1.5
67.01741	1.5
69.03307	0.3
72.15760	0.4
79.01764	0.8
80.02535	0.9
81.03310	10.1
91.01749	1.6
93.03313	8.8
93.03893	0.4
95.01245	3.7
97.02819	0.6
100.55393	0.4
100.86510	0.4
107.01249	4.3
108.02030	16.1
108.99892	1.3
109.02814	100.0
110.03152	2.3
111.74610	0.4
119.01260	4.9
119.04881	1.9
121.02823	9.4
123.00758	5.7
123.04386	0.4
124.01566	0.6
125.02314	10.9
126.75034	0.3
130.04099	0.5
131.04884	2.4
133.02849	0.9
137.02318	4.4
138.03084	0.7
139.03899	1.9
147.00764	13.6
147.04424	0.9
148.01538	2.6
149.02357	2.1
149.05988	1.4
151.00258	58.5
151.96214	0.8
152.01045	42.9
152.06447	0.5
152.96925	1.0
153.01823	79.5
154.02217	2.1
157.08694	0.4
165.01845	3.1
177.01749	0.5
229.01489	0.5
245.04756	0.4
256.03720	0.5
257.04593	0.9
257.08423	0.7
271.06146	5.1
273.03983	2.2
283.06171	6.0
284.06461	0.5
286.04874	0.9
288.46634	0.4
301.03595	51.0
301.07111	6.4
301.25543	0.5
302.03931	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	301.0929
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
50.20310	0.2
59.01253	1.4
60.49562	0.2
67.01791	0.2
68.33430	0.2
68.99667	0.2
69.03326	0.3
71.01233	0.6
73.02794	0.6
73.58041	0.2
80.02538	0.4
81.03307	0.6
83.04879	0.4
85.02808	0.2
89.02283	0.4
93.03314	6.5
95.04884	1.2
97.02806	0.3
101.02318	0.5
101.96382	0.2
109.02818	3.8
111.04379	2.2
119.03343	0.2
121.02811	4.5
123.04372	0.8
124.01508	0.7
137.02325	3.2
138.03104	8.4
138.99007	0.7
139.03889	100.0
139.08104	1.3
140.04211	2.8
181.04929	0.3
217.79164	0.2
301.09305	22.5
302.09689	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34729	0.8
53.58686	0.9
54.73632	0.7
59.01226	3.4
61.98683	0.8
66.58620	0.8
66.73570	0.9
69.45145	0.9
71.01835	0.8
71.82951	0.9
81.03316	6.2
84.63588	0.9
91.72828	1.3
100.82871	0.8
104.56181	0.9
106.78957	0.8
108.02092	1.2
111.07982	1.2
112.27762	1.0
119.04936	0.9
119.08540	1.7
121.02878	1.5
121.06440	1.9
123.00731	5.8
124.01549	2.1
133.28656	1.2
137.08609	1.9
137.09596	24.4
138.03104	3.6
139.03876	3.7
139.11189	2.3
163.07526	3.7
183.09413	0.9
187.09706	1.0
187.11235	4.0
188.11998	3.7
189.12756	5.7
190.13696	1.5
191.14305	2.4
211.11015	2.8
213.09244	1.0
215.06923	1.5
215.10611	2.1
216.11563	1.5
217.12318	3.5
229.12213	2.2
231.13612	12.7
244.03900	1.1
253.05293	1.2
257.11588	100.0
258.11926	4.1
261.11395	3.5
275.12595	5.2
283.09506	17.0
301.03705	5.3
301.07193	3.5
301.10587	61.2
301.14008	3.4
302.10944	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	301.1081
Annotation	BAUHINOXEPIN F
Peak:m/z	Relative Intensity
51.48005	0.5
51.52998	0.7
51.95343	0.9
59.01241	1.9
61.98687	1.1
65.00187	1.5
80.00593	0.7
95.01272	0.7
96.02030	0.9
97.02805	1.1
97.85281	0.7
109.61729	0.6
117.06880	0.9
119.04895	2.7
123.00750	3.3
124.01530	20.8
138.03096	1.9
139.03894	3.7
145.37860	0.7
152.01042	31.3
153.01364	0.7
165.01823	4.6
166.02637	1.5
167.03470	1.1
180.04193	2.7
188.04686	1.7
193.05003	2.4
203.07103	1.7
225.05493	1.0
235.52136	0.7
240.08047	1.3
253.05072	15.1
254.05472	1.1
267.06589	1.5
268.07443	6.4
283.09836	7.3
286.08582	3.6
301.10822	100.0
301.25525	1.8
302.11249	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	301.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36814	3.7
59.01262	12.7
63.25531	3.8
64.69125	3.7
79.04092	4.4
100.17622	5.1
103.04734	4.6
108.02069	17.4
109.14184	4.7
118.44414	4.2
123.00793	19.8
123.03640	5.0
123.04440	20.5
125.02393	4.8
138.03142	15.0
139.03922	19.8
141.22549	4.6
145.97139	5.3
151.00294	6.1
151.05168	5.4
153.59175	5.1
180.33995	5.1
186.03226	6.7
199.04050	5.5
221.19083	24.6
235.46581	5.2
242.02316	7.5
257.04425	5.5
265.18274	15.1
283.19272	21.3
301.03552	15.9
301.07050	11.1
301.10922	15.6
301.14655	17.6
301.20203	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	41.6
59.72681	9.7
61.98702	15.3
74.32104	10.8
77.09276	11.2
78.95767	100.0
79.95591	24.9
97.06493	12.8
97.22813	12.7
97.42863	11.8
97.54532	10.9
123.00790	49.2
124.01533	18.7
138.03111	18.2
139.03883	41.1
140.95428	12.6
151.00269	13.7
242.97133	13.6
253.04878	16.5
253.33936	14.5
257.08200	59.3
301.03452	32.0
301.07187	48.6
301.11136	26.7
301.14597	44.3
301.20337	21.7
302.14297	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	301.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	41.6
59.72681	9.7
61.98702	15.3
74.32104	10.8
77.09276	11.2
78.95767	100.0
79.95591	24.9
97.06493	12.8
97.22813	12.7
97.42863	11.8
97.54532	10.9
123.00790	49.2
124.01533	18.7
138.03111	18.2
139.03883	41.1
140.95428	12.6
151.00269	13.7
242.97133	13.6
253.04878	16.5
253.33936	14.5
257.08200	59.3
301.03452	32.0
301.07187	48.6
301.11136	26.7
301.14597	44.3
301.20337	21.7
302.14297	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	301.1293
Annotation	L-phenylalanyl-L-histidine
Peak:m/z	Relative Intensity
55.01743	0.6
57.03309	2.4
59.00972	0.5
59.01241	6.6
60.55633	1.1
65.00167	0.3
67.25459	0.3
68.03831	0.4
69.03301	1.9
71.01215	0.5
71.04877	22.5
71.06442	0.5
73.02789	0.6
81.03321	1.4
83.01241	30.2
83.03191	0.5
83.04869	1.5
84.01579	0.7
85.02808	0.8
85.06437	1.9
91.99438	0.3
93.03304	1.2
95.04876	3.6
97.02824	4.9
97.06461	1.3
99.08022	5.7
107.04890	0.8
109.06466	2.3
111.04385	0.6
111.08022	18.7
111.08799	1.0
111.74730	0.4
112.08439	0.4
113.05950	5.7
113.09541	0.7
115.00255	0.5
115.03873	35.6
115.07105	0.4
116.04250	0.5
121.02805	0.7
121.06474	0.5
123.08047	2.7
125.02325	1.2
125.05961	3.0
125.09605	5.2
127.07481	1.1
128.03424	0.7
137.05943	2.8
137.09567	0.8
139.07486	0.6
139.82053	0.4
147.11690	0.6
151.00211	1.1
151.07417	0.6
153.09103	5.8
155.07030	6.6
157.08606	0.8
163.11221	0.8
165.12737	8.6
169.08603	2.4
178.99797	0.4
181.04994	4.0
183.13934	0.5
191.10715	0.8
197.08154	0.9
197.11882	0.5
197.15382	0.6
199.06050	66.2
199.13232	0.8
200.06323	1.9
209.11800	1.9
209.15485	1.3
221.15390	1.0
227.12947	0.9
227.16469	3.1
239.12817	1.5
240.04294	0.8
243.12346	1.5
244.06444	0.4
253.10815	12.3
255.06660	2.1
257.13940	3.0
268.36832	0.4
268.64554	0.5
270.08951	1.5
273.04080	2.4
283.11896	3.3
283.15549	2.9
301.03763	3.6
301.12912	100.0
301.16519	23.7
302.13242	5.6
302.16760	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	301.1293
Annotation	L-phenylalanyl-L-histidine
Peak:m/z	Relative Intensity
51.47223	0.3
59.01167	8.2
59.01486	0.9
65.55196	0.4
67.01670	5.6
67.02065	1.0
69.80357	0.4
72.97696	1.0
72.98087	1.1
73.02726	5.7
80.02467	0.8
81.03309	4.7
83.04810	0.7
93.03241	0.9
99.00738	20.3
99.08012	20.3
100.08305	0.8
101.05930	4.6
106.95523	0.5
107.04890	3.8
108.01981	1.0
109.02827	5.9
109.06453	35.0
109.07145	1.4
110.06691	0.8
111.00745	13.6
111.07974	1.1
113.09484	2.1
113.29272	0.5
117.01717	1.6
121.02763	1.2
121.10003	0.7
122.03610	2.9
123.00645	1.7
124.01477	0.8
137.02249	0.7
137.05943	0.9
138.03151	0.7
138.06648	1.4
139.03795	1.9
139.11159	3.2
140.68846	0.5
147.00665	0.6
151.00241	2.4
151.03818	0.7
151.11087	0.8
152.00938	1.6
153.01854	3.0
164.04391	0.6
165.09041	1.7
167.14281	0.8
169.15884	5.9
177.12706	1.7
179.10686	39.8
180.10982	1.6
183.10188	4.2
195.13835	27.3
196.14122	1.1
213.12920	0.7
213.14902	13.6
220.31151	0.5
221.11780	5.6
223.09743	11.9
239.12872	39.8
240.13232	2.4
244.03787	0.6
257.13895	3.7
267.64624	0.6
283.11880	100.0
283.25674	1.1
284.12189	5.6
286.00885	0.8
301.03458	3.2
301.06335	2.9
301.12946	95.9
302.13257	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	301.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07726	0.3
54.78022	0.3
57.03316	12.2
58.00438	1.0
59.01235	1.8
67.45362	0.8
67.45670	0.4
69.03297	1.1
71.01238	0.5
71.04885	2.9
71.21187	0.4
73.02784	0.7
81.03304	0.5
83.01206	0.4
83.04854	1.7
87.04376	1.9
91.73356	0.6
95.04886	2.7
97.02235	0.5
97.02812	7.8
97.05874	0.4
97.06448	6.5
99.04372	0.5
99.08012	6.0
101.05921	0.8
107.04873	0.4
109.06461	3.6
111.04292	0.4
111.08020	2.7
113.02322	0.5
113.05951	3.0
113.09586	0.5
115.03864	2.6
121.06414	1.0
122.03555	0.8
123.08038	5.3
125.05939	1.9
125.09560	1.3
127.07522	15.0
128.03386	2.1
129.09065	0.8
135.08044	2.1
137.09604	25.4
138.06677	0.4
138.09927	0.5
139.07518	2.6
141.09068	0.7
149.05943	1.6
151.11128	1.1
153.09106	0.5
155.10632	0.5
157.08575	1.1
163.11183	3.7
165.12694	0.8
167.07021	1.5
167.10599	0.5
169.12268	4.8
177.12732	0.4
179.10706	3.2
181.12270	7.0
183.06500	0.5
191.14398	0.8
195.13817	1.8
199.13326	9.8
209.11711	0.6
209.15396	1.3
217.01331	1.4
225.11299	20.0
226.11630	0.9
227.12939	0.7
227.16478	2.2
239.12941	2.1
240.13168	0.5
243.12363	100.0
244.12692	4.1
257.13715	1.0
273.00504	0.5
283.12241	0.8
283.15482	4.6
301.12915	2.5
301.16544	34.7
302.16797	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	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	6.7
59.01245	5.6
60.99168	1.0
69.03315	1.2
71.01237	9.9
71.04876	3.3
73.02794	2.8
75.39034	0.6
81.03294	1.2
81.86485	0.6
83.04877	6.6
85.02758	0.8
85.06446	9.5
87.00719	0.9
87.04345	2.3
89.02283	1.2
93.03310	1.3
93.06948	1.4
95.04872	7.2
96.89923	0.7
97.02782	2.4
97.06435	8.8
99.04351	1.5
99.08015	23.1
101.05936	2.6
107.04881	3.7
109.06457	5.3
111.04369	1.2
111.07993	2.5
113.05944	26.9
113.09567	3.2
114.06763	3.9
115.07505	4.6
117.06930	1.0
121.06388	1.8
122.03574	1.4
123.04413	1.2
123.08038	12.9
125.05953	17.7
125.09573	0.9
127.07521	4.5
128.03386	2.7
129.05440	2.8
129.09062	3.1
135.08012	1.3
137.05928	1.1
137.09579	5.4
139.07515	1.7
139.11154	0.8
141.05428	3.1
141.09087	1.3
143.07013	1.6
153.09283	0.8
153.12730	1.7
155.06973	0.8
155.10670	6.9
157.08565	2.1
161.09656	1.5
163.11198	3.5
165.11398	1.3
165.12749	20.6
167.10652	1.7
177.12747	4.9
179.10609	2.2
181.12228	2.8
183.13797	2.4
185.08144	1.3
187.05986	0.9
189.12784	0.9
191.14313	2.0
195.13849	5.5
197.15332	2.4
199.09740	0.9
207.13876	1.3
209.11752	4.5
209.15375	5.7
211.16946	1.8
219.13904	1.9
221.11903	0.8
221.15399	4.0
225.11273	5.1
225.14740	1.6
227.12918	17.0
227.16425	14.8
228.13080	1.0
228.16780	0.9
239.12817	6.0
239.16425	1.1
243.12360	26.6
244.12622	1.4
257.13950	30.1
258.14261	1.7
283.15512	8.7
301.03207	1.7
301.12888	18.6
301.16507	100.0
302.13486	1.1
302.16809	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.202
Annotation	Koninginin G
Peak:m/z	Relative Intensity
51.74514	0.2
57.03320	0.3
59.01248	1.4
63.25540	0.2
65.03826	0.6
66.58224	0.2
67.05354	0.3
69.03313	1.4
71.04880	0.2
72.08192	0.2
72.99162	4.6
75.00722	0.3
81.03311	0.5
83.01293	0.2
83.04878	7.1
85.84945	0.3
93.03300	1.1
95.04852	0.4
97.06484	0.3
99.08022	1.2
107.04945	0.3
108.05653	0.7
109.02824	0.2
111.04382	4.2
111.07999	0.3
113.05955	0.3
113.09590	0.4
121.02793	0.3
128.03381	0.5
129.05450	0.5
139.11153	0.3
141.01538	0.2
141.12706	0.4
151.00229	0.4
169.12224	0.3
171.13792	0.7
178.99840	0.4
179.10681	0.3
191.18037	0.3
207.17531	0.4
209.19019	0.3
217.15950	0.4
219.17542	1.6
225.18542	1.8
227.39091	0.2
235.16978	0.4
237.18568	19.7
238.18851	1.1
259.40063	0.2
265.10031	0.2
265.18057	1.8
273.04019	0.3
283.19241	0.5
301.03485	0.8
301.20206	100.0
302.20535	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	301.2021
Annotation	Koninginin G
Peak:m/z	Relative Intensity
57.03300	1.5
59.01226	0.4
61.09616	0.3
62.98366	0.4
64.14467	0.7
69.03285	0.4
70.58212	0.5
72.99609	0.4
72.99957	0.4
78.02755	0.4
95.21213	0.4
95.36263	0.4
97.06488	0.4
99.07991	0.7
113.09583	1.3
127.11178	0.6
131.21040	0.4
139.11229	0.5
142.33655	0.5
221.19063	28.1
222.19510	1.1
237.18634	0.8
239.20152	2.8
257.21167	2.3
265.18100	16.8
283.19147	17.5
284.19363	0.9
301.20215	100.0
302.20514	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	301.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13680	0.2
57.03307	0.5
59.01236	1.9
65.03822	0.4
66.58212	0.4
67.05338	0.3
69.03307	2.3
71.01198	0.3
71.04879	0.7
72.99159	4.1
81.03313	0.6
83.04877	5.8
85.06442	0.6
87.00723	0.7
93.03299	1.0
93.19597	0.3
95.15757	0.3
97.06435	0.5
99.07998	0.8
100.65424	0.4
106.27576	0.3
107.01236	0.4
108.05653	0.7
111.04374	4.7
113.09572	0.7
115.00248	0.6
121.02844	0.5
128.03412	1.9
129.05420	0.4
139.11212	0.4
151.00259	0.9
157.08607	0.8
169.12221	0.4
169.23157	0.3
171.13760	0.9
175.02434	0.7
178.99812	0.3
198.55815	0.3
209.19028	0.3
219.17517	1.2
223.16971	0.4
225.18510	1.6
235.16974	0.7
237.18570	15.1
238.18903	0.8
251.99638	0.4
263.92847	0.4
265.18097	1.8
273.04117	0.5
283.19162	1.2
301.03543	1.6
301.20209	100.0
301.33844	0.9
302.20502	6.2
302.23840	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40508	0.4
57.03320	0.8
59.01243	3.4
60.01612	0.4
71.04884	0.7
73.02814	0.5
78.94924	0.4
83.01221	0.7
83.04877	0.6
93.03313	0.8
97.06450	0.7
99.08033	5.0
107.01291	0.4
111.08033	0.5
113.09596	1.0
121.02815	0.9
125.09589	1.5
127.11186	2.2
128.03406	2.7
129.09088	1.5
139.11119	0.5
143.07022	0.7
143.10657	0.7
151.00323	2.0
153.09026	0.6
155.10619	0.8
157.08594	1.5
171.10182	10.3
178.99739	1.0
221.19060	3.6
237.18633	0.5
245.04434	0.6
255.19765	0.5
265.18100	2.8
271.19211	1.0
273.04068	0.5
283.19131	5.8
299.18661	1.6
301.03708	2.6
301.20218	100.0
302.20560	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	301.2537
Annotation	Ginkgol
Peak:m/z	Relative Intensity
57.60546	0.4
63.68067	0.3
77.18853	0.3
92.02525	1.6
106.04111	3.4
110.11839	0.4
110.78115	0.3
119.04896	8.3
121.02820	4.6
133.06487	2.7
161.09618	1.1
175.11198	0.9
177.00221	0.4
189.12900	0.5
213.23465	0.4
221.42494	0.4
288.02060	0.4
301.25381	100.0
302.25699	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	303.0147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	0.7
61.39125	0.7
69.93067	0.8
69.93388	0.5
93.03333	0.5
99.04391	0.7
106.04138	0.7
106.69731	0.4
107.04901	3.9
108.05247	2.0
109.02805	1.1
109.05452	0.6
112.99497	0.4
115.05386	1.5
116.13205	0.4
117.03355	0.4
118.83981	0.4
119.04861	0.5
123.00746	0.5
123.04345	0.6
123.07333	0.5
124.16761	0.4
125.02329	2.7
130.63408	0.4
131.04890	0.9
136.01555	0.5
136.99190	0.5
137.02321	0.8
143.04919	1.0
145.02844	0.4
147.04378	0.8
149.02342	0.7
158.03618	0.8
159.04393	4.6
161.02394	0.7
164.41399	0.5
167.03413	0.5
169.02773	0.5
171.04427	1.2
173.02391	0.7
175.03938	1.4
177.01852	1.4
178.40411	0.5
185.02330	3.2
186.03032	0.5
187.03918	3.4
189.01804	0.8
201.01932	0.9
202.02617	1.2
202.95721	0.4
203.03427	19.5
204.03889	1.0
213.01831	4.0
214.09500	1.0
215.03397	1.5
229.01505	0.6
230.02167	7.6
231.02939	14.8
232.03371	0.8
241.01483	0.6
242.02179	1.3
247.02527	0.7
257.08289	0.6
258.01703	0.7
258.08499	2.1
258.91309	0.6
259.02481	44.4
259.08267	2.3
260.02792	2.1
271.02597	0.5
274.00974	0.4
275.02014	1.9
288.02539	0.5
303.01474	100.0
303.14206	1.3
304.01834	5.9
309.71133	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29134	0.6
58.39911	0.5
63.34770	1.1
66.54620	0.6
69.93080	0.7
70.73524	0.6
81.03332	0.9
89.03870	0.8
101.03837	1.2
108.02021	1.6
109.02815	37.0
110.03182	1.3
115.05399	5.0
117.03316	3.4
121.02785	1.0
129.03354	1.2
130.04141	1.4
131.04919	3.5
133.02840	3.1
141.03397	1.8
143.04910	14.3
145.02843	2.2
147.04385	4.8
149.02332	9.7
153.01822	33.7
154.02191	0.8
157.02843	5.8
158.03601	3.7
159.04414	18.7
160.04793	1.4
161.02359	3.6
163.03900	1.1
169.02843	2.4
171.04440	6.0
173.02386	2.5
175.03914	6.5
177.01791	1.0
185.02361	11.2
186.03065	1.5
187.03929	27.1
188.04376	1.3
189.01891	2.7
197.02350	2.1
198.03157	1.2
200.01073	1.0
201.01826	2.6
202.02571	2.1
203.01549	1.0
203.03448	19.1
204.03656	0.7
213.01857	12.3
214.02634	6.0
215.03444	47.1
216.03937	2.0
217.01401	1.1
227.39465	0.7
229.01398	5.5
230.02184	5.4
231.02942	15.3
241.01385	6.7
242.02124	5.4
257.00906	13.3
258.01627	2.7
259.02481	47.5
260.02737	2.3
264.87442	0.7
275.02109	1.1
284.97275	1.1
285.00427	20.2
286.00854	1.0
303.01486	100.0
303.12448	2.0
304.01865	7.4
310.76385	0.6
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	Unknow
Peak:m/z	Relative Intensity
52.66854	0.3
53.98433	0.3
57.03034	0.6
57.03318	12.7
57.04540	0.3
59.01236	0.4
63.02261	0.5
63.68689	0.3
65.00182	2.9
72.99178	0.4
81.03320	0.9
83.01241	7.8
85.02781	0.4
90.68966	0.3
93.03320	1.0
94.89749	0.3
95.01292	0.5
95.04892	0.4
99.17854	0.4
105.03307	0.7
107.01262	2.9
107.04884	0.4
108.02017	0.9
109.02828	3.3
111.00751	1.0
121.02814	2.0
122.03593	0.9
123.04391	7.0
124.00765	0.4
124.01558	2.5
124.98762	1.2
125.02317	100.0
126.02635	1.9
137.02296	2.5
139.03844	1.8
143.04962	0.5
145.02884	0.7
146.03601	0.7
147.04370	2.0
149.02333	5.2
150.03116	7.0
151.00267	9.3
151.03896	9.3
152.01041	5.9
153.01828	8.7
159.04433	0.7
161.02330	0.7
161.05945	1.0
163.00290	0.5
163.03883	0.4
164.04698	0.7
165.05470	0.6
169.01324	0.8
171.04402	2.0
172.05220	0.9
173.02359	0.7
173.05899	0.7
174.03143	3.1
175.03925	15.5
176.01030	0.5
176.04213	0.7
177.01849	17.4
178.02156	0.6
178.99794	8.0
180.00435	1.3
181.01337	3.9
185.05994	0.4
187.03925	0.6
187.07675	0.4
188.04633	2.0
189.05496	4.7
191.03500	0.5
191.07150	0.6
193.05051	3.2
197.06102	0.9
199.03964	9.1
200.04396	0.4
200.96800	0.4
201.01889	3.1
203.07169	0.4
213.05527	1.7
215.03429	0.6
215.07225	0.4
216.04195	1.8
217.05031	9.6
219.02988	0.4
229.04878	0.4
231.06615	1.3
235.06104	0.6
239.80923	0.4
241.05052	6.3
243.03046	1.6
257.04517	1.1
259.06091	4.8
275.05652	5.7
285.04068	69.4
286.04395	5.1
303.05124	9.7
303.08301	0.3
304.05515	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0511
Annotation	cis-Dihydroquercetin
Peak:m/z	Relative Intensity
51.88958	0.7
52.09227	1.0
54.00709	0.4
55.79184	0.3
59.01241	0.7
64.30492	0.4
65.99702	1.2
67.01740	1.5
69.03316	0.5
71.16550	0.4
77.63724	0.4
79.01736	0.7
81.03316	6.3
82.19224	0.4
82.69847	0.5
83.60999	0.5
84.67532	0.4
91.72742	0.6
93.03315	46.8
94.03650	1.3
95.01257	3.7
97.02815	0.6
107.01238	3.1
108.02033	6.0
109.02808	2.4
121.02763	0.6
123.00743	9.6
125.02310	9.8
136.01540	29.1
136.97913	0.8
137.02325	57.4
138.02661	1.5
139.00217	0.9
141.01837	0.5
143.04901	0.6
151.00262	38.5
151.03893	22.2
151.04811	0.6
152.01044	58.4
153.01846	3.0
159.04428	0.6
160.04964	0.5
166.02614	4.1
167.03404	8.9
174.03067	0.6
177.01822	1.1
178.02625	3.7
179.03415	0.6
185.02267	0.5
187.03937	1.9
203.03455	2.0
205.01337	1.3
215.03413	0.8
215.05324	0.8
226.02632	0.6
227.03410	0.8
230.02151	0.8
231.02972	1.5
241.12444	0.6
243.02913	0.9
244.03758	8.8
251.36284	0.5
259.02466	4.6
259.05063	0.6
259.06113	0.6
260.03003	0.7
285.11331	0.9
288.02759	6.2
289.03146	0.7
303.01660	6.2
303.05103	100.0
304.05435	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	303.051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88964	0.5
52.09221	0.8
59.66119	0.4
61.09297	0.4
61.66825	0.4
65.99698	1.4
67.01741	1.3
69.03302	0.5
79.01754	0.9
81.03319	7.3
92.02534	0.7
93.03315	45.4
93.05669	0.6
94.03648	1.3
95.01239	2.7
97.02828	0.7
107.01256	5.0
108.02019	4.3
109.02809	0.7
117.33366	0.4
117.72346	0.4
121.02827	0.8
122.99890	0.6
123.00755	8.8
124.01566	0.6
125.02317	7.8
125.03220	0.4
129.09091	1.7
136.01538	25.2
137.02324	53.1
138.02667	1.6
139.00157	0.6
143.04797	0.4
151.00261	35.6
151.03902	21.2
151.05016	0.8
152.01041	55.2
153.01572	0.9
153.27222	0.4
166.02594	3.1
167.03389	8.8
177.01820	0.6
178.02669	3.5
187.03847	0.6
205.01326	0.7
215.03423	1.0
227.03470	0.7
244.03755	12.9
247.02454	0.6
259.02521	1.6
259.05988	0.5
288.02820	5.2
303.05112	100.0
304.05457	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	303.0511
Annotation	cis-Dihydroquercetin
Peak:m/z	Relative Intensity
50.48355	0.3
51.85097	0.4
51.88974	0.6
52.09222	0.9
54.32316	0.4
56.83510	0.4
56.97908	0.5
59.01239	0.7
60.24925	0.4
65.99710	1.5
67.01756	1.9
68.99689	0.4
69.03307	0.5
79.01733	1.1
81.03315	6.9
93.03315	46.2
93.05669	1.0
94.03653	1.4
95.01227	3.2
96.95878	0.9
102.22478	0.4
107.01257	3.3
108.02031	5.4
109.02821	4.3
115.17333	0.4
121.02898	0.5
123.00744	10.5
124.01562	0.8
125.02316	10.7
132.90359	0.5
136.01538	28.8
137.02325	60.0
138.02692	1.4
139.00241	1.2
142.37186	0.6
143.04880	0.6
150.03093	0.7
151.00258	39.8
151.03900	24.1
151.05011	0.9
152.01042	58.2
153.01846	4.9
159.04446	0.7
165.01837	0.8
166.02608	3.7
167.03397	10.0
171.04341	0.7
177.01825	0.9
178.02640	3.0
187.03944	2.6
189.01834	0.7
203.03470	2.1
205.01370	1.2
215.03384	1.5
230.02286	0.8
231.02965	1.5
243.03020	0.6
244.03749	7.5
259.02466	5.2
259.06094	0.8
259.13336	0.7
260.03119	0.7
271.02621	0.8
285.11337	0.8
288.02802	5.9
289.03299	0.6
303.01620	7.7
303.05090	100.0
303.12408	1.9
304.01996	0.7
304.05423	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	303.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29398	0.6
58.56086	0.4
59.01229	0.6
63.94598	0.4
77.03830	0.6
81.03305	1.3
83.01239	0.8
91.01756	0.8
93.03339	1.1
95.01259	1.0
95.04878	0.9
108.02024	4.5
109.02813	98.2
109.05743	1.6
110.03153	2.3
121.02796	3.9
125.02319	0.7
137.02289	0.7
149.02325	27.4
150.02957	1.5
153.01822	100.0
153.06729	1.3
154.02129	3.1
159.04436	0.8
161.02347	0.8
163.03909	0.5
171.04448	0.6
172.05153	2.8
175.04015	0.6
176.04663	1.0
177.01852	1.3
177.19571	0.6
182.02097	0.6
186.03299	0.6
187.03951	5.4
188.04707	2.7
189.01912	0.8
192.04176	0.8
201.11253	1.2
203.03484	2.8
204.04181	1.3
205.08022	0.6
215.03430	3.6
216.04187	3.5
216.27637	0.5
226.02594	1.2
227.03490	1.4
230.02138	1.1
230.18672	0.5
231.02986	3.2
243.02953	5.3
244.03738	14.2
245.04259	0.9
247.02448	7.1
255.06812	0.6
259.02481	4.6
259.06091	1.4
260.02798	0.6
285.04129	0.6
303.01505	9.3
303.05081	39.0
303.14685	2.9
303.17752	0.7
304.02066	0.8
304.05328	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	303.0512
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
57.03305	5.2
59.01243	12.3
67.01754	1.8
69.03316	2.6
70.98936	0.9
73.02790	1.4
81.03309	4.0
83.01236	7.3
85.02814	2.2
93.03319	6.0
93.18665	1.2
94.02853	2.6
95.01249	2.3
95.04892	2.2
96.04415	2.3
97.02825	3.4
101.02316	1.8
101.05955	2.4
101.29206	1.1
105.53216	1.1
107.04932	1.5
108.01963	1.3
109.01633	2.3
109.02818	36.8
110.02409	1.3
111.00742	3.2
115.03855	1.3
119.04911	2.0
121.02822	7.6
123.00751	2.1
123.03133	3.7
123.04411	2.2
124.01541	3.6
125.02319	46.1
128.03407	4.4
129.01813	3.1
129.03792	1.7
130.08633	1.4
130.25368	1.1
133.06458	1.6
135.04420	2.4
136.01558	1.4
136.98048	1.5
137.02324	100.0
138.03177	7.0
139.03926	1.5
143.04898	3.0
145.02866	3.4
145.04869	1.3
145.06511	1.3
147.04405	4.0
149.02321	7.7
150.03140	5.5
151.03902	8.9
153.01843	3.8
154.99673	1.3
156.10197	5.2
159.04424	1.6
159.07878	1.7
161.02357	2.0
161.05942	2.0
162.03041	1.2
163.03879	3.3
164.00972	1.7
165.01843	29.2
166.02640	3.7
167.04964	1.3
171.04424	2.6
173.02364	3.1
173.05998	3.9
173.14029	1.2
174.03125	2.1
175.03940	9.5
177.01851	14.7
179.03409	1.4
180.10265	1.8
185.06035	4.5
187.03951	3.4
188.04646	1.8
189.01978	2.2
189.05481	7.7
191.03429	11.0
193.04938	6.9
199.03934	6.5
201.01923	1.3
205.05115	2.8
205.12335	1.8
207.06596	14.5
211.04010	2.8
213.05476	7.8
215.03485	5.2
216.04193	1.6
217.01614	1.7
217.05049	16.7
219.02884	3.5
224.09258	10.4
229.05049	2.9
231.06596	4.9
233.04601	5.9
235.06093	10.8
239.03275	1.8
241.05066	9.8
243.03117	2.8
243.06235	2.4
257.04523	9.3
259.03055	1.1
259.03510	1.3
259.06119	8.8
261.04080	3.9
262.78717	1.4
267.02823	1.6
274.04803	7.6
275.05670	19.5
285.04077	20.5
303.05151	31.0
303.08688	2.0
303.14560	10.5
304.05527	2.6
304.10223	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63497	0.4
57.03308	1.5
57.97477	0.4
59.01253	2.4
67.01746	1.7
69.93993	0.5
71.01242	1.1
71.04881	0.9
73.02819	1.0
81.03310	1.8
83.01243	1.4
85.02814	0.7
85.06449	0.8
91.01738	0.4
91.49413	0.4
93.03314	4.1
95.01245	1.1
95.04855	0.6
97.02795	0.6
101.02307	0.4
108.02029	11.3
109.02814	75.5
110.03148	2.5
110.07640	0.5
111.00745	4.7
115.03857	0.8
115.05412	0.6
121.02000	0.3
121.02813	9.9
122.03615	3.4
123.00754	3.8
123.04391	11.5
124.01534	7.1
125.02331	5.6
130.08626	0.7
135.04428	0.5
136.01549	3.5
137.02322	50.0
138.02652	1.2
138.05504	1.0
139.00282	1.3
139.03888	8.7
141.01892	0.6
145.04953	1.1
148.01537	1.4
149.02325	19.7
150.03113	2.7
151.00267	1.2
151.03906	3.2
152.01027	2.0
153.01826	7.6
156.06583	0.5
157.08556	0.5
159.04335	0.7
164.01010	3.9
165.01834	35.9
165.07399	0.6
166.02356	0.9
166.99757	0.5
167.03539	0.7
167.04947	1.3
171.04402	0.8
174.03113	0.5
177.01866	2.4
183.04335	0.6
184.05167	0.7
185.06026	6.1
187.03952	1.4
187.07553	2.6
193.01349	9.9
194.01976	0.5
195.04469	2.6
196.05254	1.5
199.03972	0.7
201.05582	0.8
211.03990	2.0
212.04698	3.8
213.05525	12.0
215.03461	0.7
215.07062	0.5
223.03990	1.6
223.13472	0.5
224.04758	6.2
224.09340	1.1
229.04976	4.4
230.05664	0.7
231.06630	4.4
239.03503	3.3
240.04286	5.8
241.05048	27.0
241.14546	1.0
242.05379	1.9
257.04562	2.7
259.01859	1.4
259.06116	41.1
260.06448	2.9
275.05823	0.6
285.04065	7.0
285.13467	2.1
303.05112	100.0
303.14502	11.4
303.18414	0.9
304.05505	5.1
304.14960	0.8
316.55499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	2.7
56.04259	1.0
57.03304	2.1
59.01231	4.7
65.03815	0.9
67.01728	3.7
68.99677	0.9
69.03302	1.7
71.01192	1.2
73.02795	0.9
80.41132	0.8
81.03315	7.0
83.01235	3.7
83.04887	1.4
85.02824	5.0
93.03315	3.7
95.01228	3.5
95.04871	3.0
96.99133	1.3
97.02803	8.0
97.06495	1.0
99.00733	14.1
99.04357	1.6
100.84725	1.1
103.60332	0.9
108.02022	5.4
109.02812	42.7
110.03110	1.1
111.00745	17.9
113.02292	3.2
119.04842	1.9
121.02822	8.4
122.03606	1.2
123.00740	7.7
123.04384	9.6
124.01530	3.5
125.02313	100.0
126.02608	2.5
127.00261	5.8
129.80086	0.9
133.02867	5.1
135.00731	1.8
135.04402	2.4
136.01529	2.0
137.02324	50.7
138.03125	6.7
139.00240	25.1
139.03886	4.8
140.01051	2.7
141.01814	61.2
142.02196	1.4
143.04883	2.6
145.02802	2.3
146.03607	2.1
147.04399	5.3
148.01579	1.7
149.02327	14.7
150.03099	2.3
151.00252	2.8
151.03889	4.1
152.01025	6.4
153.01825	64.3
153.07077	1.3
154.02153	1.5
156.10208	1.2
158.03680	1.0
159.04434	4.2
161.02354	27.7
161.05949	2.2
162.03015	3.9
163.00327	1.4
163.03902	5.5
164.01038	3.4
165.01837	20.8
165.03058	1.1
166.02612	7.1
167.03403	10.7
171.04414	4.1
172.05128	2.0
173.02367	3.4
173.05980	3.1
174.03114	5.0
175.03911	26.7
176.01033	2.0
176.04251	1.3
177.01833	16.1
178.99767	2.9
179.03424	1.1
180.00533	7.0
181.01318	5.2
185.05934	7.4
187.03995	2.2
187.07610	3.4
188.04703	1.5
189.05496	8.1
191.03500	3.3
193.01363	2.5
193.05011	1.5
194.01991	1.3
195.04422	1.9
197.06049	2.5
199.03946	5.8
201.01872	8.2
201.05515	1.3
202.02696	1.3
203.03407	7.5
205.04996	2.3
211.03923	1.3
212.04723	1.4
213.05508	8.7
214.02603	1.2
215.03473	4.4
215.07126	2.9
216.04189	2.9
217.05016	19.5
222.58731	1.1
223.03972	1.9
224.04665	1.9
224.09294	2.0
229.04984	2.8
231.02878	2.3
231.06664	5.5
233.04390	1.7
235.06123	2.7
240.04250	1.5
241.05087	10.0
257.04578	9.4
259.02402	1.8
259.06113	14.0
265.64993	1.1
275.05673	2.8
285.04080	25.4
285.13358	1.9
286.04449	1.6
303.05127	68.8
303.14633	7.8
304.05640	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	303.1235
Annotation	Avicenol A
Peak:m/z	Relative Intensity
59.01231	1.5
68.27726	0.6
72.28571	0.6
84.31707	0.6
103.75998	0.7
109.02835	1.8
111.43440	0.7
125.02292	1.5
128.67912	0.7
136.01549	0.9
137.02290	1.6
143.04878	0.8
144.05667	1.5
145.06468	1.4
146.03543	0.8
147.04414	1.2
151.03874	1.3
156.05687	1.1
157.06421	1.4
159.04401	1.3
160.05106	1.3
161.02325	0.8
163.03877	0.8
164.20551	0.7
171.04469	1.3
172.05182	5.4
173.06009	5.2
175.03961	2.8
177.01877	2.2
179.03400	1.1
183.04453	1.4
184.05202	3.2
185.05966	0.8
187.03922	1.2
189.05481	4.0
199.03963	2.5
200.04675	6.9
201.05591	1.6
202.06256	3.1
203.03435	3.5
204.04201	7.0
211.07567	0.8
213.12856	1.9
214.09921	1.1
217.04991	6.6
218.05789	2.0
228.04240	7.3
229.05022	1.4
229.12317	1.3
231.02963	3.0
241.08798	1.1
241.12218	2.1
246.05345	7.6
255.06715	3.4
257.11826	2.8
259.13391	2.1
270.08997	2.9
275.12888	1.3
285.11331	7.3
303.12369	100.0
304.12775	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	303.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19900	10.1
59.01233	19.7
70.18563	11.3
71.51880	11.6
80.05476	11.5
105.08321	12.4
109.02808	23.4
121.47426	13.1
125.02338	34.9
145.03027	12.5
151.00301	22.4
153.01823	21.6
177.01776	19.9
220.99522	14.9
259.09726	19.8
259.13309	19.2
303.01660	17.4
303.08820	41.6
303.12515	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44835	0.4
57.03310	3.6
58.00468	0.7
59.01241	12.9
69.03296	1.4
71.01228	2.5
71.04882	2.3
71.95772	0.5
73.02809	1.0
73.48210	1.2
73.48573	0.6
81.03311	5.0
83.01238	0.7
83.04866	0.6
85.02805	1.4
87.04367	2.9
97.02806	1.9
97.06438	0.8
99.04373	8.6
100.87486	0.5
101.02301	32.2
107.08521	0.7
109.06434	1.2
113.02287	1.4
115.03872	9.9
121.10084	0.5
123.08018	0.8
123.16456	0.5
125.09596	0.9
128.03340	0.5
129.05463	0.8
131.03374	6.5
135.08026	0.7
139.11179	0.9
141.09096	14.7
153.09082	4.9
155.10699	1.1
161.13245	1.7
169.08620	1.6
171.10178	0.7
179.14325	0.7
183.10175	4.9
199.09718	1.0
205.12285	3.6
223.13341	7.2
241.14503	1.2
249.11310	1.5
267.12357	4.6
285.01120	0.7
285.13437	49.2
286.13867	3.5
303.14496	100.0
304.14835	5.9
322.90460	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.8
58.00480	1.6
59.01242	33.1
60.89230	1.0
69.03316	1.8
71.01245	4.5
71.04886	3.3
72.99168	1.3
73.02821	1.9
81.03303	6.5
83.01231	1.8
83.04936	1.1
85.02818	1.8
87.04395	3.5
97.02815	4.7
97.06448	1.3
99.04375	11.5
101.02303	22.0
101.05929	1.4
113.02285	1.6
115.03883	13.9
120.99537	1.7
123.08051	1.8
125.09623	1.1
128.03271	1.3
129.05493	1.3
131.03395	7.1
134.83339	1.1
137.09633	1.2
141.09093	24.5
141.10100	1.8
151.11174	1.5
153.09106	3.2
157.08600	1.0
161.13297	1.4
165.10333	1.0
169.08549	2.1
183.10216	4.8
197.67393	1.1
205.12277	4.0
213.09076	1.1
213.11246	1.6
223.13364	13.9
241.14433	4.5
245.12976	2.6
259.15399	1.6
267.12393	6.5
273.16937	1.2
285.13446	86.4
286.13806	4.0
303.14523	100.0
303.17731	4.1
304.14807	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	303.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88416	0.4
57.03307	1.0
57.19975	0.3
58.00446	0.6
59.01241	11.7
60.29859	0.4
71.01231	4.1
71.04872	1.1
71.45172	0.4
73.02807	3.7
73.48192	0.4
75.27902	0.4
81.03316	0.9
83.04875	5.0
85.06434	2.2
91.73328	0.6
93.93165	0.5
95.04900	1.2
96.80041	0.4
97.02791	1.2
99.04396	1.1
101.05936	2.3
107.08521	1.0
109.06448	0.7
109.23078	0.5
111.04377	1.9
111.08014	1.5
113.05933	1.1
115.03072	0.7
115.03878	12.9
115.07494	0.9
121.06436	0.6
123.00787	0.5
123.08022	2.1
125.02318	0.6
125.09603	0.9
127.03841	0.5
127.07513	2.6
129.05441	4.1
139.07549	0.7
141.09096	1.1
145.04939	4.6
149.09573	0.5
151.07480	0.7
153.45024	0.5
155.07025	1.7
157.08585	2.1
161.13284	1.4
169.08650	1.3
169.63150	0.5
177.01826	0.5
179.14320	0.8
182.99359	0.4
184.20654	0.5
189.29561	0.5
205.12274	1.3
213.05516	0.6
223.13297	2.7
228.70670	0.5
241.12325	0.8
241.14429	3.3
259.15506	1.6
267.12445	1.6
285.13440	17.8
286.13712	1.2
303.14517	100.0
304.14844	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	303.1602
Annotation	3-Polyprenyl-4-hydroxy-5-methoxybenzoate
Peak:m/z	Relative Intensity
52.64925	0.3
53.87149	0.3
55.63644	0.3
58.02813	1.3
59.01211	1.4
61.98676	0.5
65.87850	1.2
65.88227	0.8
70.49619	0.3
84.50050	0.4
85.02798	0.4
86.05972	2.2
89.85555	0.3
92.02522	2.2
95.01224	0.4
103.28799	0.3
106.04093	5.7
107.04926	1.7
108.02036	0.6
109.02779	1.4
111.01802	0.4
119.01602	0.4
119.04887	14.6
121.02822	11.0
128.03371	0.6
133.06462	4.4
137.02299	1.0
141.20570	0.4
161.09584	0.7
168.13855	4.5
175.11130	1.2
177.12781	0.4
182.08182	0.4
189.12689	0.7
203.14346	7.2
215.14381	2.9
220.99608	0.4
229.15907	1.9
231.17509	99.7
232.17886	6.0
239.14380	0.7
241.15903	2.5
243.06145	0.8
257.15475	0.6
259.17029	31.1
260.17398	1.8
303.16031	100.0
304.16428	7.6
304.22791	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	303.2177
Annotation	9,10,16-trihydroxy palmitic acid
Peak:m/z	Relative Intensity
52.61565	0.2
57.03317	0.4
59.01247	2.1
59.01498	0.3
67.22321	0.2
72.99161	0.4
76.81492	0.3
83.04900	0.4
83.41515	0.3
97.06405	0.4
99.08035	2.3
102.13384	0.2
103.71848	0.2
111.01852	0.6
111.08009	0.6
113.09574	2.3
121.98141	0.3
123.08012	0.8
125.09560	0.6
127.11162	1.6
129.01825	0.4
129.09109	1.5
141.09116	0.8
141.12738	0.4
143.10699	1.4
147.63853	0.3
155.10690	2.2
157.12253	0.8
169.12306	0.9
171.13762	0.4
185.20616	0.3
198.36862	0.3
200.08310	0.4
209.18994	1.1
225.18565	0.9
227.20134	2.1
228.20407	0.4
235.17033	0.8
237.18588	7.1
239.20110	1.1
255.19705	2.9
257.21240	15.2
258.21588	0.8
303.21780	100.0
304.22147	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	303.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90689	0.2
59.01242	7.1
59.02472	0.2
61.20533	0.2
71.01232	1.0
83.04878	0.7
87.78146	0.2
102.78870	0.2
175.71173	0.2
205.19560	0.5
231.21124	0.3
241.61513	0.2
259.24335	2.7
260.24664	0.2
285.22366	0.3
303.23303	100.0
304.23660	6.8
319.81812	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	304.001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47981	0.5
53.52713	0.4
58.99961	1.1
59.01242	70.0
59.02387	1.4
60.01577	7.0
61.01657	1.4
61.97302	1.3
61.98694	100.0
61.99936	1.7
115.02409	1.3
116.02531	2.0
117.00282	3.6
117.02129	3.1
117.96629	0.5
118.00392	3.6
119.00055	6.0
120.00376	0.7
149.57591	0.6
158.03516	0.8
159.01381	23.4
159.80179	0.5
160.01530	32.5
160.95346	0.7
161.01096	42.8
161.98843	29.0
162.01469	8.5
162.96495	0.7
171.49770	0.7
201.02493	4.2
202.02628	10.3
203.02225	10.1
203.99977	6.9
204.02591	3.7
206.06358	0.8
220.00600	0.9
261.01486	0.9
261.99103	0.8
262.01633	2.5
303.02487	14.0
304.00040	11.4
304.02820	38.9
305.02527	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	304.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20350	0.4
58.01662	0.5
58.02840	35.7
59.03172	0.6
63.26328	0.4
71.32191	0.4
73.68960	0.4
92.53069	0.4
96.53107	0.5
117.55055	0.5
122.69014	0.4
126.27564	0.5
128.30217	0.5
168.08070	1.1
168.13841	100.0
169.14156	2.9
212.12903	1.5
304.19193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51111	0.6
51.40497	0.6
52.42615	0.5
53.23332	0.9
57.61929	1.2
57.62179	0.7
59.01246	2.0
65.03795	0.6
69.21034	0.5
70.18011	0.5
79.78628	0.7
81.03301	0.7
81.70086	0.5
93.03310	1.2
95.04873	1.5
105.03333	3.1
106.55312	0.6
107.01243	1.4
108.02026	1.0
109.02106	1.0
109.02812	10.9
117.03323	4.4
119.01253	0.9
121.02821	5.4
123.04379	2.6
125.02318	3.4
132.02051	1.4
133.02821	26.0
135.00719	1.9
137.02364	0.9
139.03864	1.1
145.02844	2.5
145.08577	1.8
147.00774	2.0
149.02339	7.5
151.00281	1.4
152.01035	1.8
153.01814	11.1
160.01529	1.0
161.02341	26.4
161.99515	1.9
162.02754	0.7
163.00267	5.8
163.03897	0.9
167.03366	0.7
175.00284	3.3
176.01045	1.1
177.01843	44.9
178.02216	1.7
178.99767	1.5
179.03416	0.8
189.01845	5.9
189.98981	1.0
190.99718	0.6
196.43579	0.6
199.63081	0.6
202.99777	2.1
205.01363	62.2
206.01747	2.1
217.01357	0.8
218.44034	0.6
233.00879	1.2
261.00406	100.0
262.00735	5.2
304.14282	0.6
304.99396	2.5
305.03033	4.5
305.06503	1.3
305.15860	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	305.0304
Annotation	Methyl brevifolincarboxylate
Peak:m/z	Relative Intensity
54.02282	0.3
55.36310	0.2
57.33956	0.2
59.01242	1.1
59.18396	0.3
63.86270	0.5
65.03831	0.4
66.47639	0.2
67.01751	1.6
70.43695	0.3
71.01241	0.4
78.69186	0.2
81.03300	0.4
88.85081	0.3
89.02314	0.3
92.64468	0.2
93.03342	0.5
95.01250	1.1
95.04892	0.4
101.02300	0.6
108.02037	1.0
109.02811	14.3
110.03172	0.3
111.00759	0.4
113.02314	0.3
115.05402	0.5
121.02804	0.5
125.02315	1.3
125.05914	0.2
127.05340	0.3
130.04117	0.4
131.04930	0.3
131.07054	0.3
131.89056	0.3
133.02812	0.6
133.06488	0.6
136.59111	0.2
137.02350	0.5
139.03877	0.4
143.04893	2.9
143.06961	1.2
145.02791	0.5
145.06454	0.9
146.03621	1.0
147.04387	0.4
149.02336	1.0
149.05922	0.4
153.01851	0.3
155.03468	0.3
155.04906	0.4
159.04420	1.7
160.05164	0.3
161.05971	18.3
162.06285	0.8
167.03404	0.6
171.04407	2.4
172.05167	0.4
173.04454	0.4
173.05891	0.5
174.03125	1.4
175.03868	0.3
179.03311	0.4
187.03946	1.0
188.04697	0.6
189.05492	18.7
190.05850	0.9
199.03944	11.8
200.04541	0.9
205.05034	1.1
215.03427	0.7
217.05006	32.6
218.05367	2.2
231.02969	1.0
233.04561	1.8
243.03000	1.8
259.02423	0.7
261.04041	19.6
262.04391	1.1
287.01953	1.7
305.03036	100.0
306.03394	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	305.0304
Annotation	2-Protocatechoylphloroglucinolcarboxylate
Peak:m/z	Relative Intensity
59.01231	0.9
62.12767	0.2
65.80622	0.2
67.01758	0.2
69.03291	0.9
70.53138	0.2
71.88780	0.2
77.74976	0.2
79.01734	0.3
79.95614	0.2
81.03291	0.7
93.03299	0.2
95.01247	1.0
96.95863	0.6
97.02801	0.9
104.00818	0.2
107.01253	6.6
107.01973	0.3
108.02035	0.4
109.02811	1.9
111.04358	0.2
111.08044	0.3
120.99535	0.5
121.02827	0.2
123.00745	5.6
124.01502	0.4
125.02312	10.3
126.02675	0.2
126.31773	0.3
129.05481	0.2
133.02856	0.4
133.13861	0.2
137.02319	0.8
138.02707	0.2
139.03894	0.5
141.09102	0.3
149.06017	0.3
151.00253	25.2
151.05424	0.3
152.01018	1.5
153.01823	2.5
157.08615	0.4
159.04353	0.3
161.02312	1.2
169.01324	100.0
169.07480	1.0
170.01648	2.9
171.10196	0.3
177.01840	0.4
179.03371	0.5
184.03998	0.2
187.09644	0.3
189.01843	0.4
203.03458	0.6
205.01379	0.6
217.05048	0.3
217.10799	0.6
225.15044	0.2
231.02895	0.9
241.43520	0.2
243.06470	0.2
243.15923	0.5
246.05339	0.8
261.00485	0.9
261.04050	0.7
261.07596	1.4
274.04932	0.3
287.15118	0.5
289.07141	1.6
290.07965	1.0
295.50107	0.2
305.02982	1.0
305.06714	0.9
305.10309	2.2
305.16190	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	305.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80049	0.8
57.03318	6.7
59.01220	0.9
69.03302	1.8
81.03325	3.8
83.01231	2.8
87.32638	0.9
88.46324	0.8
91.72777	1.1
93.03319	2.4
95.01223	3.0
95.04880	4.2
97.02804	4.0
107.04879	1.1
109.02819	12.7
111.04382	10.8
121.02830	2.6
123.00733	5.0
123.04401	1.9
124.01541	3.6
125.02316	100.0
126.02666	1.8
135.04382	1.9
137.02322	28.4
138.03107	2.4
139.03902	23.8
147.04356	1.3
148.98886	0.9
149.05978	2.4
151.03809	2.8
155.03362	1.5
161.02333	3.7
162.46100	1.1
163.07579	0.9
164.01097	6.5
165.01843	22.9
166.02608	1.6
167.03412	23.1
173.05952	1.8
175.03917	4.1
177.01831	3.1
177.05447	4.9
179.03415	20.9
180.03807	1.3
191.07123	1.7
203.03476	3.2
204.04251	3.9
219.06593	18.8
221.04460	8.6
243.06538	1.5
261.07724	8.0
263.05704	1.2
305.06696	75.8
306.06964	5.4
312.29135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84718	0.6
51.71414	0.5
54.49139	0.6
57.03319	6.4
59.01245	3.9
61.48985	0.7
63.59095	0.6
67.01755	1.3
68.99686	0.7
69.03323	1.7
71.01241	6.8
71.01516	0.6
73.02811	0.8
74.02346	0.7
81.03323	2.9
83.01238	5.7
83.01672	0.9
83.04882	1.3
85.02779	0.7
85.06445	1.9
87.04373	0.9
87.27041	0.6
88.03902	7.9
93.03320	10.7
95.01254	2.8
95.04874	3.5
97.02799	5.1
99.00742	7.9
99.04379	1.0
99.05519	2.6
102.05482	0.7
107.04882	1.2
109.02815	12.4
111.00759	2.6
111.04376	9.0
113.05914	0.8
115.00226	7.7
120.99536	5.5
121.02827	2.9
123.00721	5.0
123.04386	2.8
124.01540	5.0
125.02316	100.0
125.05951	1.3
126.02666	2.1
128.03398	2.9
131.03362	2.0
131.07010	5.9
132.02888	2.1
133.02811	0.9
135.04384	1.8
137.02322	30.2
137.06435	0.8
138.03056	2.4
139.03899	23.5
141.06554	2.3
143.04517	1.3
148.04207	0.9
149.02339	1.4
149.05959	1.9
150.93097	0.6
151.00249	2.0
151.03889	4.6
153.01813	13.3
154.02139	0.9
155.03342	2.0
159.04396	1.2
161.02365	4.3
162.03038	1.0
163.68448	0.7
164.01059	6.6
165.01822	20.2
166.02466	1.9
167.03397	22.0
168.03769	1.0
172.96628	0.8
173.04474	26.3
173.05931	1.5
175.03859	2.5
175.07541	1.0
177.01791	2.2
177.05518	4.1
178.02588	1.1
179.03410	18.8
180.03883	0.7
189.05464	1.4
189.06963	10.9
190.05423	5.1
191.07007	2.4
201.05423	1.4
203.03407	3.1
204.04176	3.3
219.06558	14.9
220.06834	1.3
221.04535	8.2
237.07619	1.1
241.06508	0.8
243.06511	1.4
245.04460	0.9
261.07449	5.4
287.05569	1.1
305.06555	57.9
305.12268	4.0
306.06940	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	305.0666
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
56.27567	0.8
57.03317	7.2
58.92981	0.9
59.01233	2.7
66.38680	1.0
67.01723	1.8
69.03311	2.5
71.01221	4.9
73.02793	1.1
74.55125	1.0
81.03284	3.1
83.01221	4.9
83.04857	1.4
85.02793	1.4
85.06444	1.9
88.03867	4.9
93.03320	8.1
95.01231	2.4
95.04859	3.7
97.02789	4.7
99.00761	5.9
99.05483	2.6
109.02808	13.4
111.00742	1.9
111.04391	9.8
113.02274	1.3
113.05878	1.7
115.00192	3.4
120.99523	6.6
121.02795	3.5
123.00741	6.6
123.04341	3.9
124.01503	5.0
125.02314	100.0
125.05939	1.6
126.02651	2.3
128.03346	2.4
131.03362	3.6
131.06990	5.0
135.04372	2.8
136.30231	1.1
137.01334	2.1
137.02324	31.4
138.03026	2.3
139.03894	23.1
139.99146	1.2
141.06532	1.8
149.02272	1.7
149.05908	1.9
151.00238	2.0
151.03845	4.1
153.01819	16.2
155.03412	1.9
158.03642	1.1
159.04404	2.1
161.02385	5.1
161.05862	1.2
162.03067	1.2
163.39560	1.3
164.01062	9.2
165.00537	2.0
165.01833	24.7
167.03392	24.5
173.04456	24.7
173.05939	2.0
175.03908	3.6
177.01854	2.4
177.05478	5.7
178.02734	1.2
179.01895	1.7
179.03394	22.9
180.03911	1.7
180.35509	1.0
189.06963	6.8
190.05275	2.1
191.06978	2.6
199.80014	1.2
201.05479	2.2
203.03383	4.4
204.04205	2.9
215.07089	1.2
218.05916	1.3
219.06567	18.8
221.04532	9.5
243.06509	1.2
256.66028	1.3
261.07477	7.8
305.06610	76.5
305.12344	3.9
306.07004	3.0
306.11047	1.5
313.46143	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.8
57.03313	1.6
58.00460	1.9
59.00074	1.5
59.01242	100.0
59.02511	1.8
60.01570	1.1
62.07280	0.8
63.86032	0.6
65.85598	0.7
71.01240	45.6
72.99161	2.7
73.02788	2.0
76.15092	0.9
81.06953	32.7
82.07287	1.1
83.01236	3.6
85.02807	12.7
87.00739	2.4
89.02296	65.5
91.58305	0.8
95.01251	3.7
96.95844	1.1
101.02303	32.5
113.02311	24.2
113.03103	1.5
118.32699	0.7
119.03368	29.3
122.49176	0.8
125.02326	5.4
125.05944	8.2
131.03384	2.3
137.02301	1.5
139.03848	1.1
143.03378	3.1
143.06949	1.3
149.04457	2.3
161.02327	0.8
161.04440	3.4
165.01942	1.0
179.03394	1.3
179.05562	4.4
179.06923	0.9
188.02673	1.3
189.05502	1.3
217.05045	1.5
261.03998	1.1
305.03094	2.0
305.06693	2.8
305.12451	56.3
306.12830	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	305.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93812	1.7
58.00441	2.0
59.01242	100.0
69.03323	2.1
71.01239	52.1
72.99175	6.7
73.02794	3.3
75.00732	6.7
80.02561	2.5
81.03320	9.8
83.01253	5.4
84.02004	4.0
85.02808	6.5
87.00735	12.9
89.02296	61.7
93.03284	2.4
97.06429	3.0
99.00722	12.6
101.02305	3.6
107.08495	2.2
108.02029	22.6
109.02866	2.8
109.06461	8.2
111.00713	3.6
111.08029	5.9
113.02306	4.3
115.00237	56.9
117.01805	65.9
120.99516	21.5
121.02839	3.0
121.06472	4.8
122.03620	3.7
123.08041	19.7
124.71701	2.2
125.02278	6.6
125.05907	5.2
125.09588	4.7
127.07518	14.6
128.03471	2.2
135.02808	3.0
136.05237	3.1
137.02321	3.2
137.06035	2.3
137.09621	2.1
139.00262	3.4
139.07524	18.8
141.09102	5.6
143.04520	3.2
149.05952	2.9
150.03127	3.0
151.07536	86.6
153.09091	5.0
155.07001	11.1
157.01323	4.3
161.00830	2.8
165.09090	20.6
167.07086	7.7
169.08620	6.1
173.04482	5.9
173.08098	49.0
175.02399	47.9
175.03703	1.4
181.08662	6.1
183.10202	4.7
185.59914	2.1
193.08606	11.3
211.09695	38.6
213.07637	69.3
213.17183	2.0
245.10336	5.2
302.03137	2.1
304.22122	4.3
305.13995	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	305.139
Annotation	Tenulin
Peak:m/z	Relative Intensity
51.92636	1.1
59.01246	1.6
67.01756	2.4
69.03293	2.0
71.01273	1.9
73.02806	12.3
82.53654	1.6
83.04885	1.7
83.95751	1.6
85.02813	1.9
93.03299	1.8
95.04894	1.9
97.02798	3.5
99.74505	1.6
106.04066	1.8
107.04880	5.9
108.01999	2.6
109.02853	1.6
111.04411	2.0
111.48251	1.7
113.02303	3.6
114.78142	1.5
121.02799	5.7
121.06451	5.4
123.04379	4.9
125.02357	9.4
133.06441	1.7
134.03613	2.7
135.04361	3.1
137.02313	2.4
137.05939	3.6
139.03894	4.6
141.01810	8.8
146.03525	1.7
147.04395	6.6
147.07887	1.8
148.05106	2.4
149.02336	16.1
149.05969	14.4
151.03893	7.3
151.11206	3.4
156.99622	1.7
159.04488	2.3
163.03952	3.4
163.11218	1.9
164.07985	1.6
165.05554	4.1
173.09898	1.6
174.03156	2.7
175.03853	9.5
175.07495	1.9
177.09140	2.0
178.02641	2.2
185.05916	2.2
186.06783	1.9
189.05550	2.6
190.19601	1.9
193.04997	19.3
203.07069	4.9
204.07901	3.7
204.11475	2.3
205.12418	3.9
205.15976	2.1
215.14397	5.6
217.12321	3.3
217.16019	8.1
219.06467	2.3
230.05847	2.6
231.10289	3.3
232.11050	2.9
233.15370	8.0
243.13815	11.9
244.14398	1.7
247.13438	4.9
259.13364	4.6
261.14972	21.3
262.15381	2.8
272.22440	1.7
277.14444	4.4
287.12961	6.0
305.13950	100.0
306.14368	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	305.1606
Annotation	Creoside II
Peak:m/z	Relative Intensity
50.74419	0.4
57.03316	7.7
58.00447	1.9
58.02820	0.6
58.05725	0.5
59.01241	15.3
60.30838	0.5
63.14785	0.5
64.82608	0.5
68.01270	0.5
69.03310	3.1
71.01230	4.4
71.04877	2.3
72.99176	1.0
73.02798	2.4
74.02331	2.3
80.59457	0.6
81.03320	8.4
83.01244	2.9
83.04879	2.0
85.02809	5.0
85.06439	0.8
86.02309	0.9
87.04370	14.0
89.02307	1.5
90.98456	1.9
91.73450	0.8
93.03313	1.9
95.01208	0.8
95.04876	2.1
97.02785	3.8
97.04642	0.5
97.06459	3.5
97.52532	0.6
99.00739	1.4
99.04375	22.1
99.05434	1.1
101.02301	54.7
101.04929	0.7
101.05926	0.9
102.02704	1.4
107.04852	1.4
107.08527	2.1
108.02020	0.9
109.02786	4.1
109.06443	4.1
111.00731	2.3
111.04375	2.8
113.02299	3.3
113.05930	0.7
115.03867	8.1
119.04898	2.5
119.08536	7.5
120.99532	1.1
121.02833	1.4
121.06441	1.8
123.00726	1.3
123.04369	0.8
123.08048	0.8
125.02311	21.0
125.03257	1.1
125.05936	1.5
125.09575	0.9
128.03401	4.8
129.05476	3.8
130.02530	0.7
130.04095	0.7
131.03377	15.2
131.04359	0.9
131.07138	0.6
133.06467	0.7
133.10155	0.9
134.07230	0.7
135.04375	0.9
135.08012	1.2
135.98248	1.8
137.02319	6.2
137.09598	11.6
137.27052	0.6
138.02974	0.6
139.00238	1.7
139.03873	3.3
140.78093	0.6
141.01912	0.9
143.03365	4.2
143.04518	5.0
145.06447	0.9
145.08578	0.8
149.02325	1.0
149.05940	1.4
149.09621	1.5
151.03865	0.7
151.07515	1.3
153.09030	1.0
157.10510	1.1
160.00700	0.9
160.08948	0.6
161.02325	2.5
161.04411	0.9
162.03062	0.7
163.03876	1.5
163.07544	7.0
164.00983	1.0
165.01811	3.9
165.09070	1.1
167.03345	3.0
167.10687	1.3
173.04471	2.2
175.04010	1.2
177.03358	0.8
177.05429	1.0
179.03378	2.2
179.04666	1.2
181.08626	17.5
181.10358	1.0
183.10213	1.8
191.07162	0.8
194.35257	0.6
199.08028	1.1
199.09636	4.7
201.05467	1.1
203.03418	1.0
207.13850	1.1
210.08871	1.0
219.06596	2.7
221.04456	1.1
225.09535	2.4
251.12953	2.0
254.08014	1.4
261.07953	4.7
266.16946	0.7
269.14001	2.1
272.08896	1.2
274.77750	0.5
287.05753	1.2
287.15005	20.3
288.15280	1.6
305.06656	17.1
305.16074	100.0
306.07468	3.1
306.16412	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	305.1607
Annotation	Creoside II
Peak:m/z	Relative Intensity
57.03315	0.4
58.00451	1.0
58.20575	0.4
59.01238	4.8
63.95180	0.4
64.82113	0.4
67.05380	0.5
71.01236	1.3
71.04906	0.6
73.02803	1.4
81.03313	1.4
83.04885	2.2
85.06435	0.8
87.04370	1.0
93.03383	0.5
95.04884	0.6
96.95839	0.5
97.02805	0.5
99.04419	0.8
101.05950	2.3
107.01222	1.0
108.02026	2.4
109.02827	2.4
111.04368	2.9
111.08022	4.2
113.05914	0.6
113.09589	3.4
115.03886	0.8
116.68082	0.5
123.00718	0.9
123.08005	0.9
125.02306	4.4
125.09614	0.9
127.11159	0.7
129.05441	3.6
129.09120	0.5
137.02301	0.6
139.03911	0.8
141.09088	2.1
143.10663	1.8
145.04945	1.7
149.05974	1.0
151.00262	5.4
151.07542	1.5
152.01039	4.9
153.01854	2.7
157.08601	12.9
158.09090	0.6
161.02344	0.7
163.14816	0.6
165.01868	0.6
167.03400	0.9
169.01326	7.8
169.08551	0.5
171.10190	1.4
177.01894	0.7
179.03389	0.8
185.08202	0.9
187.09677	10.8
188.10081	0.7
205.01379	0.8
207.13849	5.0
217.05098	0.5
219.06715	0.6
225.14951	5.0
241.14520	0.8
243.16006	12.7
244.16446	0.8
251.12753	1.0
261.00327	0.7
261.04041	1.2
261.17142	3.2
269.13931	1.3
287.15063	14.3
287.18320	0.9
288.15488	0.7
305.02664	1.9
305.06653	2.7
305.16083	100.0
306.16394	5.3
326.06717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1759
Annotation	Mikanialactone
Peak:m/z	Relative Intensity
52.55376	0.7
58.02822	1.6
59.01244	6.6
65.03805	1.6
70.47350	0.8
70.62938	0.7
74.63760	0.8
81.03286	1.1
83.04896	1.2
92.02450	0.9
93.03322	7.8
95.04879	1.3
106.04110	1.5
107.04886	47.3
109.02833	2.0
113.02290	1.1
119.04908	5.9
121.02808	8.5
126.29808	0.8
141.01576	2.1
141.12715	4.2
150.54282	1.1
161.04591	1.4
161.05968	4.4
164.82239	0.9
168.13895	1.7
217.18382	0.9
231.17670	1.0
233.19046	1.8
237.42410	1.0
241.82932	1.0
243.17545	7.6
261.18610	35.6
262.18906	1.2
305.17584	100.0
306.17938	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	305.1759
Annotation	Corrin
Peak:m/z	Relative Intensity
52.55008	0.5
54.92729	0.4
58.02837	3.2
59.01232	2.3
66.08270	0.8
66.08567	0.4
67.88409	1.0
67.88725	0.7
71.01238	1.0
85.02810	0.6
91.72717	0.7
92.02553	1.4
93.03291	0.7
95.01181	0.5
101.75528	0.5
106.04088	4.8
107.04899	5.9
113.02300	0.7
119.04897	9.9
121.02831	7.8
125.02304	0.6
133.06482	1.8
137.02362	0.8
140.76013	0.5
149.06015	0.7
164.72372	0.5
168.13858	4.2
169.14169	3.8
170.15338	0.7
173.04483	0.8
175.11197	1.9
195.47052	0.6
206.51775	0.6
231.17511	41.4
232.17856	2.2
233.18970	0.8
243.17522	63.4
244.17841	2.8
259.17026	2.1
261.18600	18.7
262.18997	1.3
264.06244	0.7
274.42062	0.7
305.17590	100.0
306.17914	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	305.2122
Annotation	Havardic acid F
Peak:m/z	Relative Intensity
59.01213	0.4
60.67791	0.5
70.48216	0.7
72.79374	0.3
77.11536	0.3
86.85874	0.3
92.02533	2.5
92.40940	0.2
93.03288	0.3
95.01221	0.5
106.04101	10.1
107.04906	1.2
108.02003	1.0
119.04879	2.7
121.02816	11.8
133.06471	0.6
137.02264	0.7
141.01553	0.3
226.09395	0.4
261.22238	100.0
261.33670	0.8
262.22592	6.6
271.21927	0.3
305.21231	56.5
306.21524	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	305.2487
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
51.36040	0.4
59.01242	6.0
59.88036	0.4
71.01242	0.8
72.98123	0.4
81.03246	0.5
81.41552	0.4
83.04897	0.6
121.71478	0.4
173.57095	0.4
305.24875	100.0
306.25183	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	305.2488
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
53.96225	0.7
55.21217	0.6
59.00014	0.7
59.01243	10.9
60.60268	0.7
61.79338	0.7
86.58793	0.9
95.44460	0.8
113.01620	1.0
125.02338	1.0
141.01564	4.8
248.84161	0.9
249.51936	0.9
274.12631	0.9
305.10690	1.2
305.24875	100.0
306.17358	1.5
306.25305	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	306.0765
Annotation	Glutathione
Peak:m/z	Relative Intensity
52.43000	1.1
53.01427	1.0
58.02849	11.7
58.99494	1.1
59.01244	6.1
61.98695	6.5
63.01158	1.0
63.53144	1.1
66.03330	1.7
70.02834	2.8
71.01247	6.7
72.00747	2.1
73.02821	2.3
74.01949	1.8
74.02333	28.4
74.94366	1.1
75.00729	2.4
81.04427	2.0
82.02831	4.0
83.01228	1.7
83.02370	1.3
84.04400	2.6
85.02789	1.2
85.03913	1.9
86.02325	11.1
86.05952	1.6
87.00737	4.4
87.05508	9.7
88.03892	1.5
89.02299	4.2
90.00056	3.8
91.73470	1.1
93.03294	1.4
94.81058	1.2
97.02842	1.2
97.03954	3.0
98.02317	2.0
98.05970	1.9
99.00710	2.1
99.05501	28.0
100.00249	1.8
101.02278	1.8
101.07076	4.7
102.05465	4.1
109.03934	4.7
111.00732	1.2
111.01838	2.0
111.05473	2.4
112.02221	2.1
112.03925	12.0
112.04659	2.4
112.84477	1.3
113.03438	2.1
114.05475	15.5
115.00248	2.4
116.01620	1.9
120.37811	1.2
123.05524	2.9
124.03948	1.8
125.03423	3.9
127.05009	6.4
128.03410	75.5
129.01784	1.7
129.03696	2.3
131.04517	2.5
133.01260	1.6
133.04948	62.5
135.05524	5.8
141.06544	7.7
142.05013	2.0
143.04506	100.0
144.04842	1.9
145.05051	1.6
145.06059	6.8
146.04462	8.7
153.06593	5.1
158.08307	1.6
160.00629	26.7
166.09734	3.7
167.04515	8.7
167.08159	3.1
171.07707	1.9
173.04512	4.1
177.03288	8.0
179.04547	20.1
181.06207	2.5
185.05577	4.8
191.05537	1.8
192.07672	2.5
197.05629	3.5
210.08781	18.4
210.10558	1.3
215.61754	1.2
242.07813	3.5
254.07834	31.2
255.08182	2.0
272.08896	39.1
273.09100	2.4
288.06601	9.6
306.07693	50.4
307.08185	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	306.0767
Annotation	Glutathione
Peak:m/z	Relative Intensity
51.55247	1.2
52.34922	1.1
57.26472	1.1
58.02834	11.4
59.01237	7.5
61.98691	4.3
66.03352	1.7
68.04910	1.5
70.02847	1.3
71.01257	2.2
72.00763	1.8
74.02328	22.6
81.04433	1.4
82.02850	4.1
85.64923	1.3
85.68687	1.2
86.02325	11.1
86.98967	1.9
87.05498	9.2
88.03917	1.8
90.00042	2.7
97.03930	2.2
99.05502	25.7
99.68294	1.5
100.00268	1.7
101.02285	2.3
101.07063	3.8
102.05465	2.6
103.03861	2.0
106.30565	1.4
109.03913	3.3
109.07573	2.2
111.05545	2.4
112.03920	3.8
114.71004	1.4
119.04894	1.6
119.40978	1.3
120.99541	2.1
123.05550	3.1
124.03919	2.1
125.02330	1.6
125.03455	1.8
125.74928	1.3
127.05006	5.0
128.03410	66.7
131.04492	3.5
135.05516	4.6
137.07150	2.6
138.96741	1.7
141.06587	7.4
143.04506	100.0
145.06097	4.0
146.04482	8.6
146.05945	1.8
153.06601	6.3
158.06026	2.1
160.00626	21.8
166.09769	4.0
167.04565	8.5
177.03325	9.4
179.04521	17.6
181.06102	2.6
185.05638	4.4
191.10657	2.3
192.07770	1.9
197.05647	4.5
198.08788	3.2
202.05069	5.0
208.13420	1.4
210.08772	19.1
213.03305	1.6
215.54791	1.4
219.10265	3.3
228.09805	2.6
242.07835	2.7
254.07843	26.9
272.08920	34.1
288.06589	8.4
306.07626	54.8
306.16617	2.4
307.08057	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
60.73987	0.3
71.00564	0.3
75.28994	0.3
81.03313	1.4
82.38420	0.3
91.01745	0.8
107.41866	0.4
108.02038	5.0
108.99949	1.2
109.02817	89.1
109.06078	0.8
110.03151	2.3
125.02336	0.7
126.02672	0.4
128.03404	0.4
130.78523	0.4
134.03546	0.4
152.97057	1.1
153.01828	100.0
153.07251	0.9
154.02136	2.6
191.10683	0.9
219.10063	0.8
219.83018	0.4
230.18611	0.5
307.08029	1.0
307.44052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0613
Annotation	6-Methoxyisopongaglabol
Peak:m/z	Relative Intensity
55.10568	0.1
57.25548	0.2
65.93761	0.1
66.86736	0.4
66.87024	0.2
70.03249	0.2
71.01254	0.2
73.13955	0.3
73.14301	0.2
84.51925	0.3
98.77165	0.2
99.37756	0.2
113.99973	0.2
117.03327	0.3
119.63162	0.2
129.03333	0.6
165.06898	0.5
165.21645	0.2
176.07953	0.2
178.07774	0.3
179.08575	0.9
180.05630	0.2
190.35732	0.2
191.04965	0.2
191.08577	0.7
193.06496	0.3
205.06516	1.9
206.07310	8.6
206.52260	0.2
207.08069	4.4
208.05292	0.3
208.08365	0.3
209.06123	0.3
217.06529	0.4
222.06763	0.2
223.07634	0.5
233.06039	1.6
234.06824	4.2
235.07611	58.7
235.17165	0.5
236.07951	3.1
236.10133	0.3
237.05573	0.5
251.07198	0.6
263.07159	0.7
279.06631	57.7
280.06970	3.0
301.78168	0.2
307.06122	100.0
308.06461	6.2
308.09930	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0824
Annotation	Mikamicranolide
Peak:m/z	Relative Intensity
50.19865	0.7
51.09639	1.5
54.36415	0.9
58.63829	0.8
59.01240	1.0
59.71855	1.5
62.41110	0.9
64.38629	1.0
72.99164	13.9
97.65156	1.0
106.04077	1.9
107.04873	1.2
109.02808	2.4
109.18239	1.0
115.60020	1.0
120.02034	1.2
121.02832	2.6
122.03580	1.3
128.23862	0.9
133.02780	1.2
134.03606	21.2
135.04372	2.8
137.02321	4.4
138.22598	1.0
149.09618	6.6
161.97433	1.0
162.03125	37.0
163.03714	1.3
163.11165	9.7
166.02707	0.9
175.11180	9.7
177.09123	32.1
178.09486	1.6
179.03490	1.3
189.09175	3.0
191.03545	1.3
191.10699	100.0
192.11026	6.6
193.08615	1.5
193.12273	12.9
201.09099	1.7
217.08456	1.2
219.10222	91.4
220.10617	4.1
221.08145	19.0
249.88354	0.9
263.09286	11.9
307.08246	79.6
308.08475	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	307.14
Annotation	NSC-224070
Peak:m/z	Relative Intensity
50.96091	1.4
50.96310	0.6
51.14054	0.4
58.00458	0.6
58.32553	0.4
59.01243	34.8
59.02462	0.7
60.01563	0.4
61.98706	1.0
71.01241	15.9
72.99170	2.6
73.02808	1.2
83.01243	1.4
83.33298	0.5
85.02798	4.3
87.00719	0.8
89.02299	19.2
95.01241	1.8
99.00762	0.6
99.08012	19.5
100.08369	0.6
101.02303	12.5
109.65414	0.4
113.02305	6.6
119.03370	6.9
121.02797	0.6
127.07523	6.1
129.09100	1.9
131.03365	0.5
133.02887	0.5
134.03587	2.2
135.04414	0.9
137.02309	0.6
141.09111	2.1
141.10063	0.4
143.03439	0.8
145.08586	61.6
146.08937	1.7
149.09592	0.6
159.04405	0.5
161.04424	0.7
162.03185	3.8
163.11172	1.0
171.10342	0.4
174.03136	1.2
174.06825	0.6
175.11176	1.3
177.09100	4.0
179.03499	0.7
179.05516	0.9
187.06013	0.7
187.09680	1.7
189.05493	1.5
191.10695	11.7
193.12257	0.8
219.10228	9.1
221.08211	2.1
259.13440	2.2
263.05606	0.5
263.09229	0.5
287.48685	0.6
307.08774	9.2
307.13986	100.0
307.28220	0.9
308.14313	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	307.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96096	0.2
51.50453	0.2
52.41935	0.2
52.78138	0.2
55.01765	0.3
55.29047	0.2
57.03316	0.5
58.00459	0.6
59.00111	0.8
59.01243	46.7
59.02524	0.5
59.82418	0.2
60.01577	0.7
70.99744	0.4
71.01241	22.7
71.02892	0.3
72.01577	0.2
72.99181	1.4
73.02787	1.8
83.01237	1.5
85.02798	4.2
85.03231	0.4
86.19927	0.2
87.00758	0.8
89.00218	0.4
89.02299	23.2
94.97301	0.4
95.01240	1.6
96.95881	0.7
99.00744	0.6
99.08016	3.9
101.02305	16.4
109.02841	0.3
113.02312	6.5
119.03367	10.2
121.02772	0.3
127.07526	10.0
127.08482	0.5
128.07860	0.3
131.03403	0.5
133.02823	0.7
134.03604	0.3
135.04434	0.6
143.03401	0.5
145.08582	12.8
149.04510	0.5
158.44849	0.3
177.01849	0.3
178.02644	0.5
179.05530	0.3
186.01707	0.3
187.05888	0.9
307.14008	100.0
307.29395	0.7
308.14380	4.4
312.16745	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.14
Annotation	NSC-224070
Peak:m/z	Relative Intensity
53.20796	0.2
55.01761	0.3
57.03312	0.5
58.00457	0.5
58.99998	0.6
59.01243	38.3
59.02374	0.5
60.01582	0.3
65.72141	0.2
71.01240	18.3
72.99169	0.9
73.02803	1.6
74.25230	0.3
83.01245	2.1
85.02807	4.8
86.63584	0.3
87.00748	0.5
89.02299	17.5
92.52031	0.3
94.76708	0.3
95.01238	1.1
96.64974	0.2
96.95895	0.3
99.00745	0.7
99.08010	3.4
101.02303	13.5
113.02305	7.6
119.03369	6.2
119.06517	0.3
127.07517	6.3
131.03412	0.3
143.03419	0.4
145.08582	11.8
146.08948	0.3
153.01932	0.3
169.17145	0.3
170.39502	0.3
177.01747	0.4
179.03488	0.4
187.05959	0.8
260.57864	0.3
267.30432	0.3
289.12936	0.6
307.14005	100.0
308.14362	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	307.1551
Annotation	Rudmollitrin
Peak:m/z	Relative Intensity
58.02814	0.6
59.01247	4.6
60.28854	0.3
61.64975	0.3
62.70921	0.4
64.78335	0.3
68.38347	1.1
68.38731	0.8
71.00891	0.4
71.01239	5.4
72.99149	0.4
73.02798	1.0
83.01194	0.5
85.02778	1.5
89.02287	0.9
90.65865	0.4
91.72820	0.8
92.02495	0.6
93.03308	0.5
97.02805	0.5
99.00711	0.4
100.44267	0.4
101.02271	0.6
103.03860	2.1
106.04083	2.8
107.57035	0.4
108.02025	0.5
113.02238	0.5
114.05455	2.0
117.03324	0.5
119.04855	1.6
121.02813	3.5
125.02258	0.6
127.03876	0.4
128.03333	1.3
143.04460	0.4
145.02788	1.6
157.04919	1.2
161.04416	1.4
163.03925	1.0
163.05959	0.9
168.13899	0.8
169.14165	0.9
170.14476	0.7
203.14258	1.2
214.58784	0.4
217.13901	0.8
217.15915	8.7
219.15364	0.5
219.17493	10.1
245.15450	76.6
246.15807	5.2
246.96756	0.4
247.08138	0.8
263.16528	21.0
264.16922	1.9
284.52988	0.4
289.14468	0.6
307.02048	1.0
307.10663	3.1
307.15521	100.0
308.15842	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	307.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12029	1.2
52.51830	1.0
59.01245	13.7
59.54395	1.4
61.17255	1.4
63.29683	1.6
69.03318	1.4
71.01241	13.6
71.04874	2.6
73.02808	2.8
80.59335	1.4
81.03313	1.3
85.02818	2.7
89.02277	2.1
92.02567	1.8
97.02812	2.0
99.04389	2.0
101.02323	2.0
103.03852	7.3
106.04082	9.0
107.04886	6.2
107.36660	1.3
108.02021	3.5
114.05477	5.2
119.04887	22.3
121.02830	15.9
121.06493	1.6
125.02349	1.4
128.03369	4.8
133.06468	5.5
135.08044	1.8
137.02368	1.4
145.02832	6.1
150.03119	63.5
152.01013	3.3
157.04999	3.3
161.04465	3.3
161.09666	2.8
163.03906	22.1
165.01782	2.9
173.09694	2.1
175.11232	1.5
177.05479	4.5
182.02127	57.2
189.12761	9.6
203.14355	3.5
205.08621	2.5
207.13936	1.6
217.15846	2.0
219.10204	4.6
233.11742	3.4
245.15460	100.0
246.15849	3.5
246.96799	1.5
247.08260	4.0
263.16599	2.4
266.11600	4.4
289.14493	23.8
289.18103	12.8
307.10394	6.5
307.15533	20.3
307.19168	10.9
307.22632	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	307.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86406	0.3
57.14357	0.3
59.01225	1.2
64.53247	0.3
67.50265	0.5
67.50577	0.4
71.01249	0.7
77.43873	0.3
87.21848	0.3
103.03854	0.7
163.06110	0.4
183.13853	0.6
191.10710	1.3
199.16945	0.6
201.16653	0.3
211.17007	1.6
219.10204	0.8
223.13124	0.7
231.13605	0.7
237.18506	0.7
239.20126	21.1
240.20454	0.7
245.15080	0.5
251.16211	0.8
255.13614	0.7
257.15167	3.5
259.16779	6.6
277.17841	0.7
279.19418	5.2
289.14200	1.1
289.17963	0.9
291.15771	3.7
295.15189	0.7
307.18912	100.0
307.32962	1.0
308.19281	5.5
321.16864	0.7
323.18518	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	307.1915
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
50.09930	0.1
54.57040	0.2
57.03294	0.4
59.01241	2.9
61.16722	0.3
65.03796	0.8
65.68285	0.2
65.94481	0.2
70.97906	0.8
71.00883	0.3
71.01234	3.0
73.02795	0.3
73.83012	0.2
79.01724	0.3
79.05353	0.3
81.03285	0.6
83.01204	0.4
83.04851	0.8
85.02780	0.6
89.02258	0.7
92.02516	0.4
93.02760	0.4
93.03308	5.3
95.01230	0.2
95.04853	0.7
97.02786	0.4
101.02281	0.7
103.03842	1.1
106.04077	1.4
107.04887	15.3
108.02015	0.6
108.05173	0.4
109.02770	0.9
109.06457	0.5
111.04355	0.5
114.05447	0.7
119.04890	2.7
121.02026	0.4
121.02821	4.8
122.61385	0.2
125.02267	0.3
127.11156	3.4
128.03375	0.7
133.06433	0.5
135.08032	5.7
136.08316	0.3
141.12727	1.0
145.02808	0.7
145.06435	0.4
156.08760	0.3
157.04967	0.4
161.04430	0.8
163.03937	0.4
163.06161	0.3
163.07524	4.5
167.14124	0.3
245.19112	1.1
247.08336	0.4
261.18619	3.2
262.18973	0.2
263.20163	100.0
264.20505	6.7
281.40161	0.2
290.21158	0.4
307.10324	2.0
307.19159	94.5
307.34534	0.7
308.19485	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.6
57.03318	5.3
57.12877	0.7
59.01248	7.2
60.29569	0.6
61.07510	1.1
61.07774	0.7
62.12596	0.6
66.45573	0.6
67.01735	1.5
67.05376	1.2
67.06522	0.6
67.29920	0.5
69.03311	3.3
71.01221	3.1
71.04858	1.6
75.24295	0.6
80.02541	3.4
81.03316	7.5
83.01244	10.0
83.04884	5.7
85.02766	0.9
89.02291	0.8
93.03297	1.3
95.04877	5.4
96.89249	0.6
97.02814	6.3
97.06445	11.4
98.03581	1.2
103.03859	0.7
106.04094	1.7
109.02844	0.7
109.06470	3.2
110.03556	3.1
111.07986	1.2
113.05939	1.0
114.05442	1.6
119.04942	0.9
119.08498	2.2
121.06432	3.3
121.10087	1.7
123.04380	13.1
123.08013	4.9
125.05922	2.5
125.09587	21.6
126.09902	0.9
127.07457	0.9
135.04350	0.9
135.08073	4.2
136.05153	1.3
137.05923	1.7
137.09595	15.5
138.09981	0.7
139.11209	0.8
141.09003	1.0
141.12770	3.6
142.02556	1.0
145.06410	0.9
149.05994	3.2
149.09566	1.4
150.10361	1.0
151.07504	0.9
151.11140	2.0
160.08846	0.9
161.09590	1.9
161.49352	0.7
162.10399	1.6
163.07521	2.3
163.11182	20.7
164.08325	1.0
165.09125	2.0
165.12766	5.7
167.10690	4.3
167.85376	0.7
171.10187	2.6
173.09573	1.4
175.11221	1.2
175.34604	0.7
177.12737	2.2
179.10646	2.6
181.10922	0.7
181.12270	5.5
185.11757	26.6
189.12790	1.3
191.10744	4.8
191.12556	1.2
191.14333	24.5
192.14682	1.6
193.12212	0.7
195.10158	1.6
199.97726	0.8
202.13474	1.0
203.14348	1.1
207.10214	12.9
209.11777	62.3
210.12137	2.9
211.13342	2.7
217.15897	2.5
219.13857	1.6
225.11301	13.7
226.11896	1.8
227.18011	1.9
229.15929	0.9
231.10153	1.1
243.17348	1.7
245.19089	56.9
246.19424	3.1
247.08266	0.8
247.17012	1.3
261.18637	1.8
263.20084	4.0
265.17972	0.9
271.17010	6.3
279.19592	1.2
287.16507	0.8
289.18112	100.0
290.18484	6.8
307.10535	1.3
307.19165	48.6
308.19485	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60881	0.2
59.01217	0.8
60.71574	0.2
60.94078	0.3
69.17278	0.2
70.97276	0.2
70.97925	0.7
71.01212	0.8
71.26608	0.3
73.02740	0.2
77.11914	0.3
80.07847	0.2
88.53381	0.2
89.02318	0.2
92.02552	1.3
106.03403	0.5
106.04100	6.9
107.04874	0.7
108.02003	0.4
109.02729	0.3
119.04896	2.4
121.02810	5.6
123.54758	0.2
133.06519	0.3
137.02396	0.4
145.02827	0.2
199.40979	0.3
231.17528	0.7
233.19077	7.6
234.19330	0.6
243.17342	0.6
245.19139	4.1
259.17007	1.0
261.18610	50.8
262.18967	3.9
263.08884	0.8
263.20169	96.8
264.17813	0.5
264.20517	7.1
307.19165	100.0
308.19519	8.0
309.75247	0.3
317.13434	0.3
324.27197	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81956	0.9
55.72487	1.1
57.03076	1.7
57.03318	20.1
59.01237	9.2
62.64977	1.0
69.03300	1.1
71.01245	6.7
72.99158	1.5
73.02794	1.4
80.02538	2.1
81.03293	4.0
83.01183	1.2
83.04349	1.2
83.04858	5.5
85.06418	1.6
91.72643	2.2
93.03297	2.2
95.04886	4.3
96.95850	1.4
97.02799	2.0
97.06445	8.5
98.85589	1.3
100.14380	1.5
101.02292	1.2
103.03835	1.6
106.04082	1.5
107.04884	2.6
109.06438	5.4
110.46671	1.2
111.07288	2.0
111.08012	25.9
113.09579	53.8
125.09602	3.0
131.08493	1.6
142.51807	1.5
147.08017	1.5
147.11642	1.6
149.09607	49.0
150.09883	2.3
151.11169	72.8
152.11552	2.7
153.12695	2.9
157.05029	1.2
162.03096	1.6
163.11116	1.6
163.99818	1.3
165.12790	12.6
169.08594	2.9
170.15399	26.1
171.10155	8.6
171.15756	22.0
177.09114	2.4
179.03424	1.2
183.88234	1.2
185.49164	1.3
191.10672	7.5
193.08612	28.8
209.11768	100.0
210.12100	3.3
215.14651	2.1
219.10204	3.4
224.72223	1.2
231.97099	1.6
246.96593	1.6
265.18100	28.6
266.18457	2.3
273.33112	1.4
274.72079	1.4
289.18210	3.3
307.07791	2.8
307.15787	3.0
307.19128	61.9
308.19473	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31656	1.5
52.86545	1.6
57.03312	4.1
59.01239	15.0
63.07240	1.7
67.05380	1.9
68.30487	2.2
69.03316	2.1
71.01236	9.7
71.04886	2.0
71.43388	1.5
81.03309	6.9
81.45674	1.7
83.01243	11.4
83.04881	4.0
93.03338	2.7
95.04902	5.1
97.02805	7.4
97.06463	7.0
101.02325	2.8
101.44542	1.8
103.03865	3.7
106.04086	1.9
109.06386	2.3
109.43170	1.9
110.03598	2.2
111.08066	2.6
114.05453	2.3
119.04916	2.6
119.08479	1.9
121.06496	4.4
123.04394	9.7
123.08009	4.6
125.05955	3.3
125.09579	21.5
128.03421	2.6
135.08012	6.5
137.05905	2.9
137.09619	15.9
141.12698	3.0
145.02742	2.0
145.71211	2.2
149.05940	5.1
161.04395	2.8
163.11182	21.3
165.12735	3.2
177.12752	2.9
181.12251	5.0
185.11739	20.4
191.10722	6.1
191.14342	21.1
207.10223	14.6
209.11775	54.5
217.15919	2.1
225.11362	13.0
226.12167	3.2
233.15350	2.4
243.17552	2.4
245.19090	55.2
263.20145	2.9
271.17184	5.1
289.18100	100.0
290.18472	4.7
307.10626	3.5
307.15985	3.7
307.19238	43.6
307.22739	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	307.2643
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
59.01244	4.4
71.01231	0.8
74.63327	0.3
75.22480	0.4
79.71693	0.3
307.26443	100.0
308.26761	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	309.0253
Annotation	Diflubenzuron
Peak:m/z	Relative Intensity
52.71865	0.3
55.08812	0.3
55.48439	0.2
58.08245	0.5
58.08487	0.3
59.01218	0.3
65.03813	0.7
71.01263	1.3
76.23073	0.2
81.03295	0.8
85.02821	0.4
91.01759	0.5
93.03315	12.1
95.04898	0.6
97.02803	1.2
102.21104	0.3
107.01261	1.5
108.02028	1.5
109.02817	19.7
114.15209	0.2
116.09089	0.3
119.01250	0.3
120.99189	0.3
121.02819	26.0
122.03180	0.5
123.04396	0.8
125.02292	0.4
130.30870	0.3
133.02870	0.6
135.00735	1.5
135.04443	0.3
136.01558	0.7
136.97929	0.3
137.02321	20.5
138.02614	0.5
139.03922	0.8
143.08067	0.3
147.00774	0.8
147.04417	0.5
148.01540	0.9
149.02332	17.1
149.06015	0.3
150.02734	0.6
152.00983	0.3
153.01825	22.2
154.02139	0.8
159.04329	0.3
161.02333	0.5
163.00284	3.5
163.03932	0.5
164.96048	0.3
165.01834	26.1
166.02158	0.9
167.07076	0.6
171.24135	0.3
175.00296	0.7
175.03955	0.7
177.01851	0.5
178.99770	8.4
179.03348	0.3
180.00450	0.6
181.01341	40.5
182.01732	1.6
189.01895	0.4
190.99812	0.5
191.03336	0.3
192.00604	0.6
193.01347	14.7
194.01784	0.4
203.03439	0.4
207.02948	0.9
208.00139	0.7
209.00871	3.3
218.99329	1.0
219.02917	0.6
221.00867	1.3
221.11862	0.4
229.01341	0.6
237.00409	6.9
247.02460	0.6
281.03070	0.8
299.51923	0.3
309.02533	100.0
310.02887	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	309.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13477	0.7
55.85281	1.1
56.42539	1.3
58.33746	1.3
58.33988	0.8
59.01249	4.3
64.75747	0.9
71.01232	6.1
71.65426	0.8
87.00694	1.1
89.10810	0.9
91.05406	1.2
91.72794	0.9
93.03309	12.5
96.95926	1.0
99.00758	4.7
100.98656	2.6
102.04583	1.1
102.57370	0.9
103.05379	3.2
107.04905	2.8
108.02039	1.8
109.02801	3.8
115.05390	3.6
117.03326	1.5
119.04881	2.3
121.02815	23.3
121.06480	2.2
123.04378	3.9
128.03395	1.0
130.04100	5.1
131.04897	7.6
133.02849	5.3
134.03601	1.2
135.04399	20.0
136.01566	3.1
145.02881	2.2
146.02368	0.9
147.03162	2.9
147.04402	5.8
148.01526	1.2
149.02316	14.1
149.06046	1.4
151.03862	1.8
153.01816	3.6
158.03609	4.2
159.03102	2.0
159.04416	35.5
160.04854	1.2
161.02322	14.3
162.03052	1.9
163.00238	4.0
163.01480	0.8
163.03893	14.8
164.01056	2.8
165.01837	28.6
165.05396	1.1
166.02055	1.5
173.02356	1.1
174.03093	3.8
174.53407	1.1
175.03937	10.9
177.01825	1.8
177.05460	2.2
178.99751	4.1
179.03448	2.1
180.00143	0.8
189.01866	1.0
190.02551	1.7
191.03424	5.6
192.00563	5.1
193.01361	10.4
193.04839	0.9
201.05736	1.0
203.03427	60.6
204.03839	2.9
205.01297	1.1
206.02197	2.1
207.02931	91.5
208.03291	4.3
219.02957	4.4
221.04532	3.4
232.36879	1.1
245.13632	1.1
247.02466	84.0
248.02864	4.6
265.03543	100.0
266.03867	5.4
273.21112	0.9
307.94687	1.0
309.02487	8.5
310.09341	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	309.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08845	0.3
53.67113	0.3
69.03288	0.4
73.63481	0.8
73.63908	0.5
84.99438	0.4
91.01728	1.0
107.01213	0.4
109.02827	2.6
114.32780	0.3
117.03335	2.1
129.03297	0.5
133.02832	3.5
135.00743	0.6
145.02846	6.8
146.03604	0.4
152.06169	0.7
153.01855	0.5
153.06943	1.2
161.02361	2.2
163.03917	4.3
163.05287	0.4
165.06949	1.1
167.04875	1.0
169.06516	1.6
171.00708	0.4
172.01526	0.6
173.02356	2.9
174.03084	1.1
179.04942	0.6
180.05740	3.7
181.06508	6.8
182.03638	0.9
183.04422	1.9
191.04970	2.9
192.05658	0.5
193.06480	2.1
195.04413	2.1
196.05226	2.1
197.06010	6.4
200.01057	1.5
207.04399	2.1
208.05231	6.9
209.06018	18.4
210.03084	0.9
210.06384	0.6
211.03949	3.0
212.04626	0.3
219.04485	4.0
220.05260	2.1
221.06093	1.7
223.03972	1.2
224.04755	5.4
225.05527	10.0
226.02626	0.6
226.06017	0.3
235.03963	4.9
236.04788	3.2
237.05553	27.9
238.05898	1.6
239.03523	0.5
245.18150	0.3
247.04037	3.4
248.04831	2.9
251.03433	0.7
252.04259	3.0
253.05046	13.5
254.05530	0.9
263.03519	5.2
264.04214	4.5
265.05054	8.2
266.05545	0.4
279.02887	0.6
280.03751	1.3
281.04559	67.6
281.16965	0.6
282.04883	4.1
291.03061	1.8
292.03696	0.8
309.04059	100.0
310.04462	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	309.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03452	0.3
62.94141	0.3
65.00211	0.3
67.36885	0.6
73.63487	0.7
84.99425	0.4
91.01749	0.7
93.03315	2.3
95.04886	0.5
107.01238	0.3
109.02806	3.8
117.03321	2.8
119.01237	0.6
119.04902	0.5
129.03320	0.7
133.02849	3.7
135.00754	0.6
137.02316	0.3
143.01265	0.4
143.04980	0.5
145.02840	7.7
152.06261	0.5
153.01811	0.7
153.06967	0.9
158.03604	0.8
161.02353	1.2
163.03906	6.1
163.05205	0.3
164.17818	0.3
165.06989	1.1
167.04904	2.0
169.06514	1.5
171.00761	0.6
173.02318	2.9
174.03128	0.4
180.05716	4.8
181.06497	7.5
182.03683	1.0
183.04431	1.9
191.04968	3.4
192.05669	0.6
193.06523	2.5
195.04448	2.0
196.05215	1.4
197.05992	4.9
199.00150	0.3
200.01067	1.5
207.04466	2.0
207.10213	3.3
208.05232	9.3
209.06018	19.8
210.03116	0.8
210.06383	1.0
211.03957	3.0
215.03436	0.4
219.04459	6.6
220.05225	2.4
221.06097	1.8
223.03911	0.8
224.04727	3.3
225.05527	7.8
226.02675	0.4
226.05849	0.6
234.03108	0.4
235.03963	4.3
235.07610	0.4
236.04738	4.7
236.08412	0.4
237.05547	39.0
237.08951	2.1
238.05928	2.1
239.03621	0.6
247.03976	3.3
248.04755	4.1
251.03563	0.8
252.04222	1.9
253.05049	10.6
254.05449	0.5
263.03516	5.4
264.04254	5.1
265.05072	10.6
266.02420	0.3
266.05353	0.7
279.02975	0.5
280.03738	1.2
281.04562	59.3
282.04971	3.9
291.02951	2.3
292.03641	1.0
309.04059	100.0
310.04489	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	309.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	4.0
67.48011	0.5
70.03502	0.5
71.01238	17.7
72.30299	0.5
72.97401	1.0
72.99160	3.9
73.02797	6.7
74.75378	0.4
75.00739	0.7
77.53332	0.5
78.95770	2.5
83.01206	0.7
85.02805	2.0
87.00738	9.4
89.02322	2.7
90.10255	0.5
93.03313	2.4
96.96833	4.7
99.00737	9.3
101.02315	0.6
114.05467	39.8
114.96751	0.6
115.00230	56.2
115.03938	0.7
115.05080	0.9
115.05810	8.7
116.00571	0.9
116.07032	11.6
116.07845	0.6
117.01790	13.0
118.02852	0.6
120.01096	0.6
124.03879	0.6
128.03413	6.0
129.01834	1.8
129.03738	2.1
133.01299	100.0
133.05078	2.0
134.01639	1.8
135.02840	1.1
137.02341	1.5
145.01341	0.7
146.08104	0.8
159.02856	4.3
163.05992	0.6
173.04463	2.0
175.02385	22.7
176.03404	0.9
191.05576	3.1
192.60478	0.6
203.04611	0.6
205.01657	0.5
211.00085	1.1
219.03287	0.8
223.02812	4.0
249.05156	1.8
308.98096	0.6
309.03015	0.5
309.07272	2.9
309.11444	1.1
310.05682	6.6
319.03165	0.5
334.20471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09862	0.4
59.01243	6.5
67.01757	0.3
71.01238	7.7
72.99171	0.5
73.02794	0.8
73.13924	0.3
80.96474	0.3
81.03295	0.3
83.01235	0.7
85.02807	0.8
87.00735	8.6
89.02262	0.3
99.00745	0.4
101.02322	0.4
103.71041	0.3
108.02015	0.6
111.00719	0.3
111.10848	0.2
112.98640	0.3
113.02287	1.0
114.05489	0.3
115.00237	29.6
115.03830	0.6
116.00534	0.4
116.07028	0.4
123.07975	0.3
128.03365	0.4
129.01706	0.3
129.03642	0.4
132.76825	0.3
138.20357	0.3
139.00227	0.4
151.07509	1.9
153.51941	0.3
155.07010	0.3
157.01431	0.5
165.09087	0.4
174.96425	1.3
175.02390	100.0
176.02760	2.5
184.21378	0.3
193.08577	1.2
211.09717	2.5
213.07642	0.6
238.33652	0.3
255.47475	0.3
273.09799	7.0
274.10092	0.4
298.01230	0.5
309.07553	1.0
309.10776	0.3
324.40610	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69512	1.0
53.88229	0.9
57.03321	1.3
59.01239	11.4
64.53502	1.0
66.43182	1.2
67.68287	1.0
69.92300	1.1
71.01249	1.1
72.99178	1.8
85.02779	1.2
87.04311	1.2
93.03316	1.2
96.95893	1.1
98.95406	1.0
99.08008	2.0
101.05952	1.0
109.02802	7.7
114.05475	1.7
115.03894	2.1
118.04091	7.6
118.35245	1.0
120.05687	3.9
121.02834	2.4
128.03394	1.4
129.01875	1.1
135.04387	2.7
143.78406	1.1
145.26878	1.3
146.03615	3.0
149.09596	1.3
161.09688	1.2
163.11186	4.6
166.80316	1.2
167.51260	1.3
175.11205	1.5
177.03847	1.2
177.12756	100.0
178.13057	3.3
179.10736	1.6
191.10747	4.3
193.12296	2.1
203.10693	7.2
221.11800	12.3
265.10745	6.6
291.08777	3.6
309.10153	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16048	0.6
52.67720	0.5
54.72087	0.5
59.01025	0.5
59.01245	5.8
62.75383	0.5
65.03809	0.6
71.01254	1.0
72.13641	0.6
72.99163	1.2
91.05376	1.5
93.03326	1.6
94.96140	0.6
95.04848	0.7
99.08006	1.8
101.05992	1.0
102.04609	1.4
105.03291	0.7
107.04875	0.7
109.02811	2.6
114.05476	1.0
115.03883	1.4
116.07031	1.5
118.04144	0.9
119.04906	1.4
120.05670	1.5
121.02829	2.2
121.06445	2.4
122.03601	14.3
123.04388	1.1
128.03394	1.1
129.01741	0.8
134.03598	2.9
135.04367	1.6
137.02368	0.8
141.83580	0.7
146.03603	0.9
149.02321	0.9
151.03879	1.8
153.09030	0.7
159.11697	6.0
161.09639	1.4
163.11159	3.3
175.02367	0.8
175.11194	1.4
177.12756	100.0
178.13084	4.8
179.10683	2.4
191.10692	7.9
194.09441	1.4
203.10689	1.1
205.08449	1.3
209.11758	22.4
210.12181	1.5
221.11813	11.9
265.10876	1.0
309.09799	16.0
310.10071	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59461	0.5
59.01020	0.6
59.01248	5.6
61.98672	0.7
66.60342	0.6
68.22112	0.6
85.70975	0.6
91.05394	1.5
93.03323	2.0
95.04878	1.3
99.08010	1.3
101.05924	0.9
102.04634	1.1
107.04877	1.4
109.02814	2.6
114.05448	1.5
115.03878	0.7
115.95554	0.6
116.07034	0.9
118.04147	1.1
120.05695	2.7
121.02812	2.6
121.06452	2.4
122.03598	13.4
123.04395	0.8
128.03387	1.0
129.01846	1.0
134.03612	2.8
135.04395	1.2
136.05173	0.8
137.02342	0.7
149.02385	0.9
151.03874	1.0
159.11719	5.6
161.09639	1.8
163.11201	3.0
175.02200	0.7
175.11153	2.0
175.91780	0.7
177.12764	100.0
177.19194	1.2
178.13094	2.6
179.10684	2.2
189.09120	1.5
191.10709	7.4
203.10713	2.4
209.11780	25.1
221.11801	15.2
237.10750	0.7
281.10410	0.9
307.19073	0.9
309.09860	16.6
309.17023	1.4
309.20810	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	309.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30146	1.8
58.02829	2.7
59.01242	5.6
63.96094	2.6
64.96886	4.8
70.02811	0.8
71.01235	2.6
71.04876	19.0
72.00768	1.7
73.02799	1.1
77.38195	0.7
78.95752	0.7
81.62024	0.7
83.04884	0.8
85.02814	2.4
87.00712	0.8
87.05495	5.9
89.02297	1.3
91.72763	1.0
93.03304	1.1
99.00743	9.0
99.04388	6.7
101.02287	2.2
108.01093	1.0
114.05471	36.3
114.06277	1.7
115.00203	1.6
115.03879	17.8
115.05036	2.5
115.05807	11.7
116.07030	14.4
117.01798	2.4
118.02883	1.0
119.03360	0.9
120.99552	1.3
127.05008	0.7
128.03407	11.3
129.01794	3.2
129.03781	4.1
129.05435	2.8
129.97513	0.7
133.04936	1.1
134.04594	0.9
137.02345	1.2
143.02710	1.1
146.08112	94.2
146.12947	1.2
147.08455	1.1
150.01857	0.9
153.48755	0.9
153.85757	0.8
159.02873	5.1
161.04413	0.9
180.06538	1.3
191.05487	1.3
205.95462	0.8
217.11885	27.3
235.01836	0.8
243.13518	1.9
245.15034	3.5
262.16599	0.9
271.76596	0.8
309.11285	100.0
310.05688	5.7
310.11612	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	309.1133
Annotation	Porphine
Peak:m/z	Relative Intensity
50.73321	0.2
53.34266	0.4
54.17610	0.3
54.71154	0.4
57.03308	0.3
59.01236	2.9
67.01750	0.7
67.34138	0.3
69.08431	0.3
71.01241	0.5
75.43145	0.3
83.04883	0.4
84.56716	0.3
85.02786	0.5
86.45805	0.3
87.50661	0.3
91.73365	0.6
93.03317	1.7
95.04884	0.5
96.95887	0.5
97.06446	0.7
99.00719	0.4
111.08009	1.5
114.05509	0.8
115.03862	0.9
115.05839	0.4
116.06994	0.6
117.03332	7.3
118.04082	1.2
119.01235	0.8
119.04891	89.3
119.08102	1.0
120.05235	2.7
121.02832	2.7
121.10111	1.7
122.12944	0.3
123.04435	0.6
125.09574	1.3
127.11199	0.3
128.03392	0.5
129.01823	0.4
133.02809	1.1
137.09599	3.0
145.02814	3.2
145.06532	0.4
151.50609	0.3
152.08246	0.3
162.03111	1.2
162.97986	0.9
163.03905	100.0
163.08981	1.0
164.04245	3.3
167.14372	0.5
171.10179	5.0
181.12325	0.4
185.11696	2.2
195.13869	1.2
197.11684	0.6
203.14360	0.5
204.14738	0.7
205.14983	0.4
211.13336	13.7
212.13785	0.5
236.80763	0.5
247.20720	0.4
251.16559	1.3
273.18527	0.4
291.19675	29.9
292.19974	1.9
309.11349	32.3
309.20712	5.4
309.24203	0.7
310.11667	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	309.1133
Annotation	Porphine
Peak:m/z	Relative Intensity
50.16029	0.3
54.19643	0.3
54.71152	0.5
59.01241	3.0
65.90166	0.3
73.02798	0.4
78.18897	0.4
78.60619	0.4
83.04878	0.4
93.03313	1.1
96.95863	0.4
99.00712	0.3
114.05482	1.3
115.03884	0.6
115.05808	0.6
116.07003	0.5
117.03331	5.7
118.04088	1.0
119.01410	1.1
119.04892	88.2
120.05201	2.3
121.02822	2.6
121.10085	0.7
123.04360	0.4
128.03394	0.4
129.01776	0.5
129.03685	0.5
133.02850	0.5
134.03581	0.5
145.02867	1.8
162.03140	0.8
162.98396	1.0
163.03905	100.0
164.04225	3.7
185.11755	2.0
197.11797	0.5
203.14360	0.4
204.14703	0.5
211.13342	3.6
223.16986	0.5
236.80739	0.6
242.04768	0.4
251.16541	2.1
260.45892	0.4
291.19687	8.9
292.20001	0.5
309.11340	42.9
309.20633	3.2
310.11624	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	309.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52785	0.2
52.08924	0.2
56.89901	0.2
59.01231	1.2
59.50199	0.2
68.43178	0.2
71.01247	0.4
79.95590	7.6
80.96385	1.2
94.97931	1.1
95.95084	2.5
96.93135	0.9
96.95866	75.2
96.98241	1.1
97.95788	0.3
101.02270	0.3
112.09939	0.3
114.05426	0.4
115.03887	0.4
122.97446	2.5
125.20294	0.3
138.96942	0.3
187.07809	0.3
197.11743	0.5
202.93848	0.3
209.15451	0.5
265.54745	0.3
291.19757	0.7
293.08835	0.5
309.17422	100.0
310.17712	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53927	0.6
55.18097	0.5
57.03288	1.5
59.01240	3.9
62.96912	0.8
62.97198	0.7
68.99683	0.6
71.01208	0.6
71.04864	0.5
74.63241	0.4
74.99435	0.8
74.99831	0.7
76.45892	0.4
81.03302	0.7
83.04885	1.1
84.30582	0.4
85.02743	0.5
88.93042	0.5
91.72741	1.2
93.29618	0.5
95.01252	2.8
95.04854	0.5
96.02039	0.7
96.95850	0.6
97.02817	1.2
97.06435	0.9
99.00729	7.8
101.02244	0.6
106.06951	0.6
109.06451	0.6
111.00741	1.0
111.08002	2.1
113.09576	1.6
114.72443	0.5
116.06991	0.6
123.00727	1.5
123.04372	1.1
123.07980	1.0
125.09573	1.5
127.07463	0.6
137.05974	1.0
137.09628	0.8
139.11102	0.5
141.12715	0.9
151.03906	21.3
151.07533	25.5
151.11198	0.6
152.08322	51.1
153.08743	1.9
153.12727	1.0
162.10396	2.0
163.11205	3.6
165.05467	0.6
165.12756	4.3
166.09879	0.8
167.10651	0.9
171.10197	3.7
175.07506	1.2
177.12714	0.7
179.14334	1.9
180.07832	1.0
181.12225	2.7
184.07286	4.3
185.11751	1.4
190.09941	3.3
191.14284	0.7
193.08633	4.5
193.15900	1.9
195.10272	2.5
195.13817	1.6
197.11784	4.4
207.10202	0.7
208.10953	4.7
209.11882	1.7
209.15414	62.1
210.15739	2.9
211.13368	1.0
219.17598	0.8
221.15448	0.9
223.13301	2.5
227.16997	0.5
247.16977	3.5
247.20639	5.4
251.16512	0.9
251.96065	0.5
252.10017	11.2
265.18091	13.4
266.18420	1.0
273.18652	1.9
291.16174	5.0
291.19653	69.0
292.19977	3.8
309.17059	100.0
309.20718	55.2
310.17380	9.2
310.21057	4.2
311.69897	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.83640	0.3
53.92269	0.4
57.03302	1.2
59.01247	2.7
61.58868	1.5
61.59169	0.8
67.01736	1.0
69.03308	0.7
83.04880	0.5
91.72691	1.0
93.03295	0.6
94.00184	0.5
95.62448	0.4
96.95880	0.6
97.06427	1.3
107.26861	0.5
111.08054	0.4
116.07007	0.9
117.03310	0.8
119.04076	0.9
119.04889	11.1
121.10100	11.3
123.08038	1.0
125.09597	8.2
137.09595	0.7
138.04202	0.5
141.12723	0.7
141.76630	0.4
147.07996	0.7
163.03900	13.7
164.04208	0.5
167.14273	2.2
171.10205	0.6
185.11745	12.2
193.12241	0.5
197.11772	2.8
209.11797	1.2
211.13342	69.9
212.13631	3.9
223.13336	1.1
247.20364	0.6
251.16400	0.9
273.18576	1.5
284.77579	0.5
291.19669	100.0
292.19986	6.8
309.11298	4.6
309.17215	0.7
309.20703	2.6
330.96429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35130	1.6
54.37929	1.6
57.03306	2.0
58.00461	1.9
58.84486	1.5
59.01245	13.4
66.36890	1.6
69.03319	2.5
70.14380	1.5
71.01232	2.1
71.04876	2.3
83.04886	2.4
84.02024	2.1
91.73393	3.5
96.95857	2.6
99.00764	2.3
105.52686	2.2
109.06516	2.2
111.08022	35.1
115.03849	3.8
119.04922	2.4
119.08549	4.4
121.10073	2.4
121.74578	1.9
125.09599	3.7
127.07555	2.0
127.86131	2.3
137.09592	10.7
149.43362	1.9
151.03896	4.4
151.07564	6.4
152.08344	11.0
155.70387	1.9
160.47652	1.9
167.10645	2.8
169.12253	5.7
171.10178	26.9
175.50294	2.0
181.12270	2.5
183.13768	2.5
185.11786	7.3
195.13753	2.3
197.11760	100.0
198.12137	2.2
199.13449	3.0
209.11787	3.1
209.15390	29.7
211.13313	14.0
213.11365	3.1
220.62785	2.0
223.17020	4.9
225.14954	9.7
233.15401	4.4
246.75842	2.4
247.20770	2.9
251.16490	11.6
252.10030	5.5
263.20099	5.5
265.18124	5.3
273.18588	6.6
291.19708	44.2
291.22946	2.7
309.17126	30.5
309.20749	87.3
310.21106	3.2
312.94473	2.4
321.17593	2.2
334.28378	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25237	0.6
53.11548	0.6
56.71984	0.6
59.01224	3.5
60.94403	1.3
69.03298	0.9
83.04852	0.7
93.06945	1.0
96.95861	0.8
97.06419	1.7
99.70300	0.9
108.50820	0.9
111.07298	1.6
111.08013	23.4
114.05518	1.2
115.03863	1.3
127.07524	2.1
141.09116	1.0
151.03879	1.2
151.07530	1.3
151.11148	1.6
152.08281	2.3
153.09087	1.0
153.12761	1.9
165.12796	1.1
169.12233	8.2
181.12242	2.2
183.13832	1.7
193.12297	1.4
197.11761	100.0
198.12062	3.1
199.13324	3.6
209.15392	3.0
211.13324	11.1
214.87791	0.8
223.73926	1.0
225.14899	1.1
227.12799	2.5
229.19360	0.9
247.20657	1.5
263.20142	8.2
265.18060	3.5
273.18701	1.7
291.16312	1.5
291.19656	27.2
292.20093	2.6
309.17151	4.9
309.20679	51.2
310.20947	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33239	0.8
59.01228	1.7
71.32012	0.7
74.99857	1.3
97.06413	1.8
113.09607	1.5
115.07506	1.0
121.54828	0.7
121.72758	0.8
125.05988	1.0
126.06742	1.7
136.61943	0.8
141.09058	1.0
165.12738	4.2
167.14261	2.0
181.12199	4.2
183.13826	1.6
188.62321	0.9
193.12303	1.2
195.13724	1.6
197.11838	1.5
209.11810	1.0
211.13365	5.0
221.15495	2.3
240.13676	2.4
247.20610	4.8
273.18643	3.8
281.21265	2.5
291.19672	44.1
292.19861	1.8
309.20718	100.0
310.20978	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	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
59.01239	10.0
71.01195	4.8
80.02540	9.2
81.03291	5.3
83.04882	28.5
84.02019	8.7
99.08025	10.5
115.07520	7.0
123.04353	4.2
123.52030	3.6
125.09607	6.0
127.11098	5.5
132.90759	3.6
133.06660	3.8
137.09605	50.9
139.11198	9.5
148.05165	12.9
151.07585	5.6
151.11186	4.9
152.08310	6.1
155.10657	49.6
167.10710	4.7
171.10187	59.4
174.13229	4.5
180.04182	18.8
183.01122	5.4
193.12260	27.3
207.19960	4.2
209.15468	10.9
211.13318	5.0
215.61740	4.0
247.20656	8.8
263.20062	8.7
265.21896	7.9
291.16354	7.2
291.19650	100.0
309.14865	35.3
309.20633	85.1
310.20972	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	309.2072
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
50.05090	0.5
55.92960	0.6
57.03314	1.7
59.01238	3.3
61.27044	1.3
64.43446	0.6
69.03307	1.1
71.01250	0.8
71.04868	1.3
80.02530	1.7
80.57735	0.8
81.03323	3.1
83.01241	9.0
83.04884	4.5
95.04888	2.5
97.02825	1.0
97.06435	4.1
98.03589	1.6
100.24081	0.7
110.03570	1.0
111.08012	0.9
113.09563	1.1
119.18356	0.8
123.04385	4.0
123.08017	3.9
125.05982	2.6
125.09589	10.9
127.11160	1.2
129.09108	1.5
135.08037	1.1
137.09586	0.9
139.11169	11.4
141.09071	1.6
149.09604	0.9
151.11235	1.1
161.09590	1.1
163.11197	7.6
165.09102	1.5
165.12761	14.5
167.10692	5.5
168.11343	1.0
171.10187	1.4
177.12906	1.3
179.14305	1.4
181.12256	4.4
183.13835	1.5
191.10756	4.1
193.12286	1.6
193.15883	4.9
197.11723	1.6
207.10211	1.2
209.11775	66.4
210.12141	2.5
211.13261	1.1
219.91354	0.8
228.72887	0.7
245.19164	0.9
247.20641	14.0
257.82425	0.8
263.19977	1.2
265.21793	4.1
268.14795	0.8
273.18634	4.9
281.21179	3.2
291.19681	100.0
292.20096	4.6
309.17468	1.2
309.20731	31.3
310.21042	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80574	0.6
57.03309	0.7
59.01015	0.6
59.01242	7.6
71.01255	1.0
74.99884	0.9
76.83396	0.7
80.96388	1.0
89.70302	0.8
96.76099	0.8
96.95880	0.9
97.06456	1.1
100.52508	0.7
101.22739	0.7
111.08041	0.9
113.09583	1.9
115.03889	1.4
115.07498	1.8
121.35004	0.8
126.06715	1.1
129.00836	0.8
129.01811	1.5
139.11241	0.9
141.09091	1.3
163.11304	0.8
165.12738	2.8
167.10686	1.0
167.14284	1.8
175.60356	0.7
177.12727	0.9
180.49873	0.8
181.12262	3.7
183.13840	1.7
193.12317	1.2
195.13899	1.6
204.26923	0.7
204.90738	0.8
208.71315	0.9
211.13339	2.4
221.15364	1.8
227.60126	0.9
229.14424	1.1
240.13623	2.0
247.20627	3.2
265.21689	1.3
273.18631	2.3
281.21234	1.6
291.19690	45.2
292.20078	1.7
309.20734	100.0
310.21042	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	309.2436
Annotation	AS 183
Peak:m/z	Relative Intensity
54.01715	0.8
55.01740	2.0
57.03299	1.4
59.01243	8.6
63.99354	0.9
65.90421	0.9
69.03313	5.8
71.01224	1.8
71.04874	3.2
72.99136	0.9
73.02807	2.3
73.68568	1.5
80.02531	5.0
81.03306	10.0
82.59414	1.0
83.04893	1.6
84.02027	11.8
85.01451	0.9
85.02798	1.2
96.95860	9.5
97.02812	2.2
98.03590	30.1
98.04214	1.5
99.03830	1.6
99.04386	14.5
103.47553	1.1
106.24828	1.3
108.02029	8.8
109.06522	1.2
111.08025	2.8
125.09611	1.4
126.03100	7.4
151.03825	1.6
151.07550	1.0
151.11246	1.1
153.09029	1.5
153.12755	3.4
163.11131	1.1
181.12227	3.2
182.08504	1.2
197.11790	3.2
207.13896	1.6
209.15306	1.5
211.20633	3.4
215.12794	2.0
235.20656	2.5
237.22298	11.3
239.23718	5.4
242.13417	1.2
247.20726	3.7
249.22250	13.5
253.25432	1.7
263.23810	29.1
264.24219	1.2
265.21860	6.0
265.25339	4.6
266.22495	2.1
267.23312	36.4
268.23706	2.3
279.23294	2.1
281.24854	100.0
282.25278	6.6
291.19739	28.3
291.23245	3.8
292.20108	2.7
309.17261	14.4
309.20718	77.5
309.24371	89.8
310.20972	3.8
310.24667	5.6
316.49554	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0562
Annotation	Ochrolide
Peak:m/z	Relative Intensity
59.01216	0.2
62.17638	0.1
65.55452	0.4
65.55767	0.3
71.58302	0.1
84.74438	0.1
85.08737	0.1
85.90939	0.1
91.72774	0.3
93.03295	0.2
93.72999	0.2
98.95952	0.1
108.02011	0.2
117.03336	0.2
131.01262	0.3
132.02032	0.6
132.30669	0.1
133.02794	0.3
134.03568	0.2
135.04367	0.5
136.76372	0.2
141.03374	0.2
143.04977	0.2
145.02823	0.2
154.04097	0.2
156.05670	0.2
158.03557	0.3
167.04922	4.5
168.05708	3.8
169.06026	0.2
171.04419	0.6
172.05142	0.7
179.03389	0.3
180.05724	1.5
182.03654	0.3
183.04399	0.5
184.05185	0.3
185.02167	0.1
186.06789	0.4
195.04443	14.2
196.05219	12.7
197.05608	0.5
199.03998	0.6
200.04750	1.2
207.04446	0.3
211.03877	0.7
212.04776	0.2
212.65698	0.1
223.03961	17.0
223.12729	0.3
224.04739	59.4
224.13689	0.6
225.05086	3.0
227.03426	1.2
228.04210	0.8
239.03476	4.5
239.07089	2.1
240.04176	1.1
251.03467	0.8
252.04268	16.1
253.04726	0.9
255.03053	0.7
266.05719	0.8
267.03006	5.3
267.06573	1.7
268.03781	11.2
269.04202	0.6
281.08310	0.3
283.06128	15.4
284.03638	0.2
284.06287	1.0
296.03259	15.0
296.16656	0.2
297.03525	0.7
306.22260	0.2
311.05630	100.0
311.20227	0.8
312.05945	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	311.0563
Annotation	Aristofolin B
Peak:m/z	Relative Intensity
54.33356	0.7
59.01241	5.0
69.80565	1.6
74.00374	0.7
93.03320	1.2
122.29111	0.8
135.04398	12.5
167.04938	2.7
168.05670	1.4
169.10249	0.9
170.30550	0.8
179.03456	9.7
179.04955	1.6
180.05708	1.4
181.06421	0.9
195.04459	14.9
196.05223	2.4
197.05936	0.9
207.04465	14.0
208.04884	1.1
210.03123	1.1
211.04025	2.2
223.03973	3.5
224.04747	34.4
225.05148	1.4
239.03514	2.2
251.03484	22.9
251.05946	1.5
252.04277	98.7
253.04665	7.2
264.96658	0.9
267.03137	5.5
267.06668	14.1
268.03635	1.3
283.06110	0.9
285.09921	0.9
296.03189	1.4
310.89850	1.1
311.05643	100.0
312.06000	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01226	4.9
68.02714	1.2
72.99158	3.5
77.44167	1.5
83.21679	1.3
91.13280	1.6
93.02767	3.0
93.03316	44.1
108.02016	3.2
109.02793	1.7
117.03293	3.6
121.02816	3.3
128.32817	1.3
131.04941	1.6
133.02802	12.5
135.04385	23.1
137.02269	2.7
145.02782	1.7
146.03632	3.0
147.04341	2.1
159.04381	12.9
161.02370	2.5
162.03053	2.0
174.03160	7.5
175.03912	10.6
176.04665	4.0
178.02773	1.4
179.03439	18.5
181.06371	1.7
193.06552	2.6
202.02647	16.7
203.03447	28.1
203.71992	1.4
209.06027	6.1
217.05042	7.9
221.05896	1.9
223.07574	3.9
224.04710	2.2
225.05481	4.2
236.04828	1.7
237.05504	33.2
238.05998	1.9
239.07115	2.6
247.24425	1.5
249.05566	2.8
250.06317	5.4
251.07108	35.6
252.04144	2.5
252.07880	16.8
253.04984	9.6
254.05479	2.0
265.05194	2.6
267.06763	10.3
267.09738	7.8
267.12640	2.0
268.07431	2.6
277.05045	8.8
278.05856	20.2
279.06491	2.5
281.04559	47.4
282.04932	4.6
283.05594	2.2
293.08313	7.7
295.06201	2.4
296.06891	41.5
297.07211	2.7
311.05396	14.8
311.09213	100.0
311.22440	2.8
312.06372	2.0
312.09546	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	311.1137
Annotation	Hydroxycoriatin
Peak:m/z	Relative Intensity
51.11439	0.3
55.75846	0.7
59.01239	0.9
71.01246	1.0
71.20332	0.4
81.03306	7.2
81.24268	0.4
83.04873	3.1
87.00731	0.7
93.03303	1.3
95.04894	2.3
97.02818	1.8
99.04366	0.6
99.05447	1.7
99.08010	100.0
100.08354	2.8
101.02292	0.6
101.05932	0.6
108.01987	0.8
111.00737	0.5
111.04374	14.8
111.28974	0.4
115.00216	3.2
117.80511	0.4
123.00823	1.2
123.04382	92.9
124.04669	2.8
125.02315	2.3
127.03876	1.2
136.05209	0.6
137.02303	0.9
143.14854	0.4
151.07498	0.9
155.03381	25.0
156.03757	0.5
156.87759	0.5
167.03392	1.2
175.02368	8.3
175.11247	0.5
176.02689	0.6
177.02724	0.5
179.14252	0.9
193.12257	0.5
199.02402	1.4
203.10719	1.2
205.12282	0.6
213.07645	1.0
223.13269	0.7
273.09854	0.5
311.11374	57.5
312.11600	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	311.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21382	0.2
56.98896	0.2
57.03295	0.3
57.90945	1.2
59.01245	3.3
65.82597	0.3
71.01237	0.3
71.71500	0.3
83.04894	2.1
85.02788	0.3
93.02751	0.5
93.03316	3.8
99.00715	0.4
99.08018	6.2
102.20168	0.3
108.02008	1.0
109.02814	1.1
109.94640	0.6
111.00749	2.1
111.04387	4.3
111.08079	0.4
115.00220	0.6
120.05677	0.4
121.06464	4.8
123.04405	0.6
123.08086	0.5
125.09580	0.6
133.29646	0.3
137.02319	1.0
139.11145	0.7
161.13235	1.1
163.11192	0.9
165.09108	1.4
173.04442	0.4
175.02457	1.4
179.14328	62.4
180.14661	2.6
187.11359	0.3
205.12308	2.2
209.08154	1.7
221.11900	0.6
223.13347	2.9
239.13013	0.5
265.10745	0.4
267.12366	8.4
268.12640	0.4
283.11981	0.9
293.10370	0.5
310.96356	0.8
311.11389	100.0
312.11688	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	311.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83147	0.3
56.06721	0.3
59.01235	1.2
62.92825	0.3
72.97545	1.7
72.99164	100.0
73.00979	1.1
73.99509	0.9
74.89252	0.3
78.03613	0.3
81.03326	0.5
82.58792	0.3
83.04880	0.5
85.02813	0.3
90.45834	0.3
91.33936	0.2
93.03321	1.2
97.02860	0.4
99.04426	0.3
129.03711	0.3
137.02338	1.2
137.09653	0.7
145.04941	0.5
147.11607	0.3
151.11234	0.5
165.09149	0.3
165.12755	5.4
172.56021	0.3
173.04384	0.4
175.02443	0.6
175.11195	2.9
179.14337	0.3
193.12318	1.1
195.10182	0.8
204.37804	0.3
210.24825	0.3
219.10156	0.4
230.74467	0.3
237.11305	7.1
311.11407	4.7
311.14832	0.7
312.11835	0.4
321.54373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1865
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
59.01150	2.1
59.01470	0.6
64.76927	0.3
64.96458	0.3
69.93199	0.5
69.93507	0.4
71.01179	0.4
71.98199	0.6
71.98576	0.6
81.03246	0.3
87.73849	0.3
91.10929	0.3
93.03204	1.9
93.55698	0.3
96.95770	0.4
97.06376	0.5
105.54955	0.3
109.06430	0.3
111.04319	0.4
117.67039	0.3
117.73448	0.3
121.02734	1.0
122.03481	1.1
122.04275	0.3
126.02975	0.8
136.05209	1.4
136.46606	0.3
137.02333	4.9
143.70039	0.3
155.54971	0.3
157.08542	0.5
167.14326	1.5
170.88142	0.3
173.04370	0.7
186.35957	0.4
190.04904	0.3
193.15851	0.6
207.17474	0.8
211.13155	0.4
223.20630	2.6
231.17627	0.6
233.15327	0.4
233.32994	0.3
237.69231	0.3
249.18582	4.8
250.18883	0.4
267.19666	100.0
267.30573	0.9
268.20041	5.7
275.16519	8.0
276.16837	0.7
293.17612	38.7
294.17984	2.7
311.18704	41.0
311.22247	3.9
312.19009	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	311.2229
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.17606	0.2
50.82180	0.3
53.43136	0.4
56.97925	0.3
59.01243	1.4
67.55127	0.3
71.01268	0.3
78.95746	0.3
93.03313	0.9
95.24323	0.3
96.04219	0.3
97.06486	0.7
99.05015	0.3
113.09596	0.9
115.07516	1.1
127.07542	0.8
128.08327	0.6
137.02295	1.6
152.99538	0.7
162.28362	0.4
165.12813	0.5
167.14339	3.3
181.12140	0.4
183.01030	0.5
183.13791	2.5
183.85237	0.4
184.23444	0.3
195.13829	10.2
196.14149	0.6
211.13380	1.2
213.14908	1.1
229.14397	0.3
241.21854	0.5
242.15265	1.5
249.22142	0.7
265.21732	0.9
267.23267	0.5
275.20279	0.8
283.22818	0.4
293.21271	8.2
294.21448	0.5
311.22299	100.0
312.22607	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	311.2229
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
59.01236	3.3
64.65905	1.1
69.02984	1.3
71.04871	2.7
83.04850	1.9
83.89151	1.3
85.02792	6.1
95.11112	1.3
98.14221	1.4
101.05954	7.1
103.70981	1.5
144.82463	1.5
148.05153	4.0
148.80298	1.3
152.99429	1.6
154.21402	1.6
180.04236	5.1
183.01027	3.8
197.02733	5.1
222.09500	1.6
265.21786	2.6
293.21054	2.7
311.17126	11.6
311.22293	100.0
312.22543	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	311.2229
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
52.37790	0.2
57.03300	0.8
58.07005	0.2
59.01220	0.4
66.40432	0.2
69.40987	0.8
69.41364	0.6
69.86803	0.3
70.04695	0.2
71.43900	0.2
79.95589	0.7
80.02031	0.2
81.74692	0.2
83.04868	0.3
87.81290	0.3
87.82091	0.4
93.03302	0.3
99.40340	0.3
119.04915	0.4
137.02272	0.3
137.71999	0.3
144.85480	0.3
170.00356	0.6
178.49911	0.3
183.01129	13.3
197.02707	2.3
198.03410	0.3
214.83614	0.3
239.07462	0.5
247.20500	0.5
249.22232	51.4
250.22554	2.8
267.23389	1.5
293.21240	21.6
294.21530	2.1
311.16843	23.9
311.22290	100.0
312.17474	1.4
312.22653	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	311.223
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
54.68415	1.0
57.03315	1.4
57.15374	1.0
59.01236	5.6
69.24373	1.0
72.33225	1.0
83.04896	1.8
93.68319	1.2
99.08031	2.8
108.89931	1.2
109.02853	1.5
113.09589	3.1
129.09079	7.7
135.04378	1.5
151.11186	1.3
153.56746	1.3
165.40187	1.2
169.12299	4.2
171.10202	2.4
181.12216	7.8
183.13905	2.3
193.12221	1.8
197.11775	15.1
199.13368	6.7
211.13361	20.7
212.13715	1.8
236.95656	1.4
247.17041	3.9
271.27814	1.3
275.20114	2.0
293.21225	23.1
294.21661	1.7
311.13202	13.5
311.16574	3.2
311.22296	100.0
312.22607	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	311.2229
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
53.72414	0.7
57.03300	1.4
59.01245	5.9
79.95585	0.9
93.03319	3.4
96.95891	0.9
96.99775	0.9
99.08000	3.1
111.37221	0.9
113.09621	2.1
123.07993	1.0
127.11150	2.6
129.09094	3.9
134.98346	0.8
137.02322	3.9
137.27881	1.0
139.11137	5.5
151.11206	2.0
152.99500	1.0
155.10602	1.9
155.98773	1.6
167.10704	1.1
168.91327	1.2
169.12196	1.6
171.10179	22.6
172.10562	0.9
181.12259	3.2
183.10146	1.1
183.13826	2.4
185.11678	4.3
193.12216	1.1
197.11761	8.0
199.13335	5.7
201.11276	4.9
211.13324	13.6
212.13863	1.0
247.17015	3.2
275.20062	4.2
293.21262	18.4
294.21420	1.1
311.09586	1.6
311.13239	14.5
311.22302	100.0
311.29758	2.8
312.22696	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	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05225	0.4
57.03316	0.9
59.01236	1.7
61.78445	0.9
61.78721	0.4
63.37137	0.3
67.01772	0.6
89.02323	0.7
91.73275	0.7
93.03303	0.7
97.06435	0.7
99.37082	0.5
100.94236	0.4
113.09598	0.5
119.04895	0.6
123.08050	0.6
125.09590	4.3
125.48734	0.4
128.03383	0.4
137.02299	0.8
139.11174	1.7
141.12756	0.5
149.09610	1.1
167.14261	1.1
171.10231	2.0
185.11734	7.6
197.11790	1.6
211.13348	41.1
212.13736	1.2
215.60814	0.4
249.22102	0.5
251.10818	3.0
252.11270	0.5
262.20447	0.5
293.21240	100.0
294.21637	4.1
311.17047	0.6
311.18463	0.6
311.22260	7.3
311.29230	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.81354	0.3
57.03310	0.4
59.01246	1.9
68.80141	0.3
72.66772	0.3
91.73349	0.6
93.03315	1.2
93.73888	0.4
97.06457	0.4
102.53047	0.3
113.09591	0.8
115.07508	1.2
127.07488	0.9
128.08289	1.1
137.02330	1.9
138.53600	0.3
151.14200	0.4
167.14310	3.5
173.04506	0.4
183.01183	0.4
183.13866	3.0
184.64981	0.3
185.15398	0.5
195.13828	9.2
196.14220	0.8
211.13385	0.9
213.15005	1.6
227.29233	0.4
242.15208	0.5
249.22252	0.6
265.21661	0.7
267.23410	0.6
275.20258	0.4
293.21216	8.8
294.21396	0.5
311.22299	100.0
312.22644	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	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41835	1.9
57.03312	1.8
59.01237	3.2
64.41557	0.8
65.75329	0.7
77.92956	0.8
82.38792	0.7
82.47022	0.8
83.04888	1.1
84.35386	0.7
115.03957	0.9
121.10072	2.1
125.09599	3.6
127.11194	6.3
129.14006	0.8
132.12312	1.0
137.09599	1.7
139.11160	16.0
139.12202	1.1
140.11497	1.2
153.09132	0.9
155.10675	3.1
165.09085	1.1
167.10663	1.6
171.10172	80.6
172.10548	2.2
183.10219	7.2
185.11745	17.8
201.11229	12.7
207.50427	1.0
211.93208	0.9
275.20200	7.7
293.21204	24.8
294.21454	1.8
300.66681	1.0
311.05478	2.0
311.12958	2.8
311.22293	100.0
312.22650	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	313.0356
Annotation	Wedelolactone
Peak:m/z	Relative Intensity
53.53041	0.1
57.12480	0.1
78.99815	0.1
79.80114	0.1
90.44255	0.1
93.03306	0.2
97.93269	0.2
113.22775	0.1
115.05370	0.2
126.07917	0.1
128.45891	0.1
129.06960	0.2
132.01997	0.1
133.02817	0.1
139.05453	0.2
141.06985	1.2
142.07292	0.1
143.04918	0.5
152.06291	0.1
153.07086	0.2
154.04092	0.2
154.70734	0.1
156.05708	0.2
157.06474	1.4
158.06888	0.2
160.01620	0.2
161.02339	0.5
167.04944	0.7
168.05650	0.3
169.06488	3.9
170.03607	0.3
170.06792	0.3
171.04449	0.3
173.06088	0.1
174.03125	0.1
176.01094	0.2
180.05702	0.5
181.06606	0.2
182.03673	0.6
183.04451	0.5
184.05251	1.1
184.68098	0.1
184.98907	0.2
185.02432	1.4
185.05995	7.3
186.06288	0.5
187.03949	0.2
195.04445	2.1
195.06099	0.2
196.05225	1.2
197.06018	3.2
198.03186	1.7
198.06235	0.1
199.03969	0.6
208.05319	0.3
210.03157	0.4
211.03947	4.9
211.05952	0.3
212.04718	1.8
213.05518	22.6
214.02670	0.2
214.05907	1.1
223.03970	3.3
224.04745	2.0
225.05521	4.3
226.02652	3.2
226.05894	0.3
227.03391	0.7
229.05092	0.5
239.03523	1.9
240.04262	6.6
241.05034	16.1
242.02151	0.5
242.05367	0.9
251.03458	1.0
252.04291	0.8
254.02232	0.2
257.04654	0.4
267.03000	0.9
268.03760	1.5
269.04572	24.1
270.04907	1.5
284.03305	0.3
285.03964	0.6
295.02512	0.3
313.03552	100.0
314.03915	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0355
Annotation	Wedelolactone
Peak:m/z	Relative Intensity
72.44706	0.1
80.50748	0.1
84.79873	0.1
90.22219	0.1
90.44208	0.1
96.72971	0.1
96.90160	0.1
97.93257	0.1
107.66133	0.1
109.02798	0.2
111.88249	0.1
115.05379	0.3
119.01278	0.2
129.06960	0.3
133.02785	0.2
139.05444	0.2
141.06984	1.4
143.04900	0.4
144.30244	0.1
149.32745	0.1
152.06149	0.1
153.06982	0.1
154.04129	0.2
155.04939	0.1
156.05679	0.3
157.06496	1.2
158.03618	0.1
159.04459	0.2
160.01534	0.1
161.02313	0.7
167.04939	0.9
168.05682	0.2
169.02829	0.1
169.06506	3.8
170.03648	0.4
170.06825	0.1
171.04391	0.4
180.05701	0.5
181.06422	0.2
182.03650	0.6
183.04419	0.7
184.05180	1.0
185.02435	1.5
185.05992	8.3
186.03084	0.1
186.06361	0.3
187.03883	0.2
195.04439	2.2
196.05217	1.1
197.02338	0.2
197.06018	3.5
198.03165	2.0
198.06184	0.2
199.03914	0.7
208.05241	0.2
210.03152	0.5
211.03951	5.6
212.04710	1.9
213.05516	22.9
213.13504	0.2
214.05859	1.0
223.03946	3.2
224.04730	2.0
225.05525	4.0
226.02687	3.2
226.05093	0.2
226.05968	0.2
227.03380	1.0
228.71243	0.1
229.05025	0.6
239.03459	1.9
240.02257	0.1
240.04247	7.0
241.05029	16.3
242.02193	0.5
242.05330	0.8
243.02963	0.2
251.03487	1.2
252.04152	0.8
254.02126	0.2
257.04526	0.3
267.03152	0.8
268.03751	1.5
269.04565	23.6
270.04901	1.5
284.03323	0.3
285.03967	0.6
295.02533	0.2
296.03580	0.1
313.03546	100.0
313.17691	0.9
314.03900	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	313.072
Annotation	CHEBI:68130
Peak:m/z	Relative Intensity
56.59081	0.3
57.03312	1.1
58.00171	0.7
58.00460	14.2
59.01242	4.4
60.70493	0.3
65.03812	0.4
69.03305	0.9
71.01234	0.6
71.04872	1.9
73.02808	0.5
76.09383	0.5
81.03304	0.6
83.04874	0.6
87.00746	0.7
89.02296	0.8
91.05387	0.8
91.72751	0.5
93.03316	14.9
95.04872	0.7
97.02807	0.7
97.06460	0.6
99.04391	0.9
99.08013	2.1
101.02270	0.7
101.05304	0.7
101.05945	12.5
103.00212	0.8
107.04874	0.5
108.02052	0.7
109.02815	12.0
111.04343	0.6
115.17739	0.4
119.04896	8.8
120.99135	1.2
121.02822	100.0
122.03140	2.3
123.04398	4.5
123.08036	0.5
125.02322	2.4
125.05950	2.1
129.03342	1.4
131.04941	0.6
133.02788	0.8
134.03601	0.8
135.03448	0.8
135.04393	8.7
139.11136	0.5
145.02879	2.6
146.03613	3.4
146.99550	0.5
147.04405	42.2
148.04742	1.2
158.03574	0.6
159.04390	5.9
161.02333	0.9
161.06006	0.9
163.03876	0.9
163.11209	1.2
165.09123	3.7
173.02299	2.4
179.10695	0.7
181.12227	2.7
183.06671	0.5
183.10182	11.3
191.03510	0.5
195.08165	0.7
197.06032	0.5
207.10146	0.5
209.06081	0.5
210.06580	0.4
211.07547	1.0
212.04681	1.0
213.09206	1.1
223.07570	2.0
225.05595	1.2
225.11290	42.8
225.72795	0.4
226.06308	0.5
226.11652	1.3
237.05479	1.1
239.07155	0.8
240.04224	1.8
241.08650	1.7
249.05615	0.7
250.06221	1.0
251.07089	4.3
251.12845	0.7
252.07912	2.3
253.05069	0.9
253.09221	1.2
254.05806	2.1
266.05649	0.4
267.06598	1.6
268.07397	1.6
269.08200	62.0
270.08554	3.0
277.05179	0.6
295.06161	2.5
312.11841	0.6
313.07211	69.3
313.12808	21.4
314.07553	4.3
314.13196	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	1.1
72.45197	0.4
72.99163	5.7
72.99531	0.5
73.99500	1.2
74.99582	1.1
80.78540	0.4
82.17756	0.4
85.18134	0.4
88.98325	0.4
91.05383	0.6
92.50715	0.4
93.03325	1.4
101.03826	1.1
108.02041	1.6
109.02813	43.6
109.06006	0.5
110.03133	0.5
113.09584	0.5
115.05413	0.7
117.03334	1.0
119.04902	6.0
121.02820	5.6
122.03611	1.7
123.04391	3.1
125.02316	0.7
129.03340	6.6
130.04132	2.2
131.04895	1.2
133.02821	0.9
135.04417	1.6
141.06995	0.6
145.02843	14.6
146.03619	25.9
147.04404	100.0
147.09425	1.1
148.04762	2.7
149.02286	0.7
157.06474	0.5
158.03683	2.3
159.04410	34.2
160.04765	0.9
161.02348	1.2
161.05902	0.9
169.06514	0.7
177.01740	0.5
180.72571	0.5
185.05974	1.3
188.23393	0.5
203.03419	0.8
211.03926	0.7
213.05487	2.8
214.05743	0.4
223.03889	0.6
223.07652	0.8
224.04698	0.5
225.05556	1.2
226.02583	0.6
240.04312	1.3
241.04997	2.6
251.07115	1.9
252.07956	1.5
253.09126	0.6
254.05858	0.8
268.07404	1.1
269.04785	3.4
269.08197	67.6
270.01913	0.4
270.05936	0.6
270.08517	4.0
281.97772	0.6
285.07574	0.5
313.03516	15.8
313.07126	3.5
313.10638	0.6
313.12900	0.6
314.03867	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0719
Annotation	Eutypoid E
Peak:m/z	Relative Intensity
53.43415	1.1
59.01239	14.0
71.01232	2.0
72.99162	1.5
83.04897	1.3
89.02290	3.6
93.03316	1.5
100.50865	1.1
101.02283	2.6
109.02821	1.7
113.02306	1.3
121.02766	1.3
139.11165	4.4
141.94939	1.2
147.04445	2.2
155.04930	1.7
167.04926	2.4
183.04457	5.1
183.10141	2.0
195.04500	3.0
206.03104	1.2
211.03944	77.9
212.04279	3.3
239.03461	17.2
240.04097	2.6
253.09270	12.1
255.02957	10.4
269.08191	19.4
269.19153	1.4
283.02512	42.3
284.02896	2.3
298.04828	100.0
299.05154	6.8
313.03653	4.9
313.07184	81.4
313.10648	4.4
313.14404	2.2
313.23972	1.8
314.07565	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	313.072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97184	0.3
59.01190	1.4
59.01458	0.4
62.10678	0.3
66.06470	0.8
66.06808	0.7
67.01706	0.5
69.07210	0.4
71.01179	0.5
74.64013	0.5
74.64366	0.5
74.83841	0.3
83.25532	0.4
89.02255	0.4
93.03313	24.5
94.03620	0.4
97.30201	0.3
99.08024	0.4
101.02202	0.3
105.03300	0.4
108.02011	0.8
109.02729	1.4
109.99939	0.8
111.04298	0.5
116.60259	0.4
118.68437	0.3
119.01128	0.3
119.04845	0.6
121.02772	0.6
123.00758	2.3
132.01981	0.4
133.02832	3.9
134.03589	0.4
135.04324	1.4
139.11162	0.4
141.06886	1.0
143.04871	1.2
145.02742	0.8
146.03508	0.5
147.04372	1.9
148.01561	0.9
151.00189	1.1
153.05446	3.1
159.04364	0.5
160.01511	0.7
163.00314	0.6
165.05353	0.6
167.04878	1.0
169.06474	4.9
171.04364	0.7
175.03923	4.1
176.00987	0.7
177.01744	1.3
179.03331	0.8
179.04866	0.6
180.05794	1.9
181.06471	0.9
183.04381	0.7
184.05144	0.7
185.05994	3.0
195.04382	2.1
196.05232	2.2
197.04472	0.9
197.06033	7.4
198.03102	1.4
198.06732	0.7
199.03954	0.6
207.13884	0.6
208.05237	3.3
209.06026	6.4
211.03937	1.5
212.04836	1.7
213.01859	0.6
213.05522	8.7
214.05850	0.5
219.02934	12.6
221.11656	0.4
223.03966	2.6
224.04727	4.8
225.05531	16.0
225.15073	0.4
226.02638	2.1
226.06310	68.7
227.03378	0.8
227.06670	3.5
229.05023	5.0
239.03517	2.0
240.04245	4.8
241.05026	10.4
241.08681	8.4
242.02193	2.0
242.05550	0.9
242.08952	0.5
251.03503	1.9
252.04251	4.6
253.04961	1.1
253.09218	0.9
254.05824	0.5
257.04388	0.4
267.03018	1.3
267.06442	0.5
268.03763	3.4
269.01260	1.0
269.04572	31.2
270.05322	16.2
271.05725	0.5
285.07697	70.4
286.08075	4.1
313.03622	100.0
313.07175	17.3
313.12766	2.6
314.03937	6.0
314.07578	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1293
Annotation	1alpha-Hydroxypseudoanisatin
Peak:m/z	Relative Intensity
56.21589	1.2
56.77272	1.3
57.03313	13.4
59.01239	9.4
59.83429	1.3
71.01241	4.9
71.04868	10.0
72.83128	1.1
73.02786	8.1
81.34499	1.4
83.04865	3.7
85.19173	1.3
89.02296	3.3
95.01132	1.4
95.04880	9.3
97.06497	2.7
99.04382	28.2
99.08012	54.2
101.02323	3.9
107.04881	23.2
110.44576	1.5
111.00749	4.2
111.04373	13.0
111.08028	3.4
113.02284	2.1
113.05965	4.7
113.09579	21.9
113.39635	1.6
121.06490	2.0
123.08024	17.2
125.05926	1.5
125.09609	3.7
139.07552	8.9
139.11182	2.5
143.07135	2.5
144.43388	1.3
151.03912	14.7
151.07515	1.8
151.11134	2.0
155.03453	2.2
155.07045	3.6
157.08598	4.1
163.14832	3.9
177.12726	1.4
179.14381	1.9
181.15894	13.5
182.16057	1.8
189.12820	1.7
195.02899	4.4
195.06587	13.1
207.13837	37.3
208.14198	1.5
214.02702	2.8
225.14919	92.1
226.15254	4.7
233.11896	1.5
241.01360	11.9
242.02229	15.4
245.00868	3.2
251.12863	54.4
252.13330	2.2
253.09215	10.3
269.13962	9.8
270.01746	18.6
270.87173	1.5
285.04123	2.6
295.11853	22.1
296.12216	2.2
298.01208	3.9
313.03543	33.3
313.12958	100.0
314.04089	3.1
314.13315	4.5
330.67200	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1294
Annotation	Juniperoside I
Peak:m/z	Relative Intensity
53.61691	1.1
57.03065	1.8
57.03316	18.4
59.01239	21.3
65.03819	4.8
69.03302	7.8
71.01241	8.6
73.02809	8.8
73.13038	1.2
75.00730	69.6
79.05363	1.4
81.03302	4.8
81.38239	1.3
83.01225	1.9
83.04873	30.5
84.01998	2.1
85.02805	17.2
87.00723	2.8
87.04372	2.5
88.03890	6.4
89.02292	7.7
90.50880	1.2
91.05360	1.3
93.03316	9.0
95.01224	2.2
95.04866	9.5
97.02811	3.7
97.06454	5.2
99.04367	5.5
101.02312	7.4
105.06932	2.3
106.04111	3.6
107.04890	27.6
108.02001	2.2
108.04400	5.2
109.02806	5.1
109.04731	3.3
109.06446	10.3
110.03572	1.4
111.04376	5.7
113.02305	4.1
113.05930	3.0
114.05489	6.8
116.07022	4.6
118.97928	1.3
119.03370	2.0
119.04887	4.6
121.02821	6.7
121.06451	10.5
122.03567	2.7
123.04376	20.8
123.08028	3.6
125.05919	3.1
130.04121	5.5
131.04904	2.2
132.05673	2.9
133.04935	2.5
133.06473	24.6
135.04364	9.4
135.08017	5.5
137.05943	2.6
137.09639	1.4
137.31879	1.4
139.07507	4.2
139.11183	1.7
140.06857	1.4
145.06479	32.6
147.04425	2.4
147.08026	11.7
149.05997	4.7
149.09653	1.4
150.05530	2.7
151.03880	4.1
151.05792	2.1
151.07516	13.7
153.05370	1.5
153.09100	1.6
157.06432	8.6
159.07915	1.5
159.59924	1.3
160.05190	2.6
161.04474	2.6
163.07542	30.2
165.09102	6.1
167.03375	5.7
173.05971	4.0
175.07544	37.2
177.09082	1.7
181.04980	2.6
181.08572	4.1
186.11293	2.5
191.07062	100.0
192.07396	4.5
193.08620	90.6
194.08987	3.9
199.10887	1.6
203.10707	2.7
211.09779	2.7
215.05522	4.8
221.11810	2.7
225.03995	37.5
225.07414	1.6
233.11807	2.2
239.48906	1.4
245.26622	1.3
251.12854	2.7
253.09271	26.5
255.08734	32.4
256.09122	2.6
269.10440	2.2
269.13989	5.7
270.13602	1.9
287.57703	1.6
295.11951	6.7
313.12946	98.9
314.13354	8.3
314.17157	3.2
314.20764	11.4
324.62317	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1293
Annotation	Viridoside
Peak:m/z	Relative Intensity
57.03068	1.3
57.03317	14.2
59.01239	32.1
65.03818	3.5
67.01747	1.9
67.34191	1.1
69.03310	4.7
71.01239	11.8
72.99152	1.5
73.02798	7.1
75.00729	100.0
81.03297	3.6
83.01256	2.0
83.04879	20.8
84.02030	1.8
85.02802	12.2
87.00718	2.4
87.04350	2.2
88.03905	5.7
89.02302	11.3
93.03311	6.7
95.01250	1.1
95.04880	6.5
97.02802	4.7
97.06442	5.7
99.00704	1.4
99.04377	4.6
101.02287	9.0
106.04073	1.9
107.04896	19.7
108.02065	2.9
108.04411	11.6
109.02818	4.8
109.04087	1.2
109.04739	6.2
109.06454	10.3
111.04387	7.1
113.02316	5.8
113.05936	3.1
114.05447	4.1
116.07026	3.1
118.97960	3.2
119.03336	4.1
119.04903	3.9
121.02799	4.3
121.06427	7.0
122.03659	2.2
123.04389	17.4
123.08041	3.1
125.02269	1.5
125.05961	2.3
128.03392	2.0
129.10115	1.2
130.04108	2.9
131.04903	1.5
131.44135	1.5
132.05632	1.9
133.04958	6.0
133.06465	16.1
135.04391	8.7
135.08028	3.9
137.05930	1.8
139.03889	1.7
139.07539	3.7
139.11186	2.4
141.05515	1.2
143.03389	1.4
145.06454	22.1
147.08076	5.8
149.02322	1.5
149.05969	4.8
149.09616	1.5
150.05537	6.2
150.06551	1.4
151.03952	9.4
151.05856	5.9
151.07530	8.1
152.01060	1.9
153.09149	1.7
157.06453	2.5
160.05182	2.0
161.04471	4.4
163.07536	24.3
165.05421	1.4
165.09102	4.3
167.03421	10.5
171.06558	2.7
173.05965	3.3
175.07552	21.3
176.07947	1.1
177.09135	3.1
179.05566	2.0
181.05017	2.1
181.08633	2.1
186.11261	4.1
191.07059	57.4
192.07428	3.3
193.08617	56.7
194.09016	2.4
203.10669	2.2
205.12344	1.5
211.09619	1.8
215.05591	4.6
221.11755	2.3
225.03992	58.4
225.13039	1.3
226.04373	2.6
233.11835	4.2
237.07550	1.4
251.13008	2.7
253.09265	33.4
255.08719	20.3
258.03009	1.4
265.10931	1.3
269.10645	1.5
269.13971	7.5
270.13553	2.7
272.67618	1.3
277.12234	2.6
295.11786	8.0
296.12042	1.3
313.09882	2.8
313.12943	76.1
314.12814	10.0
314.17136	2.5
314.20978	5.2
337.87421	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34877	0.8
51.92751	0.8
52.13891	0.8
56.41846	0.8
57.03307	3.9
58.00459	29.1
58.88859	0.7
59.01242	10.5
63.54877	0.9
65.91835	0.8
69.03307	1.9
70.71740	1.1
71.01231	1.0
71.04877	3.5
72.02197	0.9
72.99171	2.9
73.02789	1.1
81.03306	1.4
83.04889	2.3
85.02808	1.9
85.06430	2.1
87.00740	1.8
87.04361	1.4
91.05378	1.0
93.03311	12.4
95.04891	1.8
97.02822	1.7
97.06448	1.2
99.08011	13.9
101.02297	1.6
101.05941	31.0
103.00245	1.5
105.73109	1.1
107.04888	1.9
108.02025	3.1
109.02814	16.0
109.06499	1.6
111.04366	2.5
113.02335	1.2
114.78947	0.9
119.04894	7.3
121.02821	71.2
121.06383	2.3
122.03143	2.3
123.04376	11.1
123.07999	1.9
125.02312	12.6
125.05994	5.4
127.07573	1.1
129.03365	1.5
129.05438	2.4
133.02855	3.0
135.04370	9.3
145.02844	4.7
146.03615	9.1
147.04404	46.1
153.12660	1.9
159.04430	9.6
160.04747	1.1
161.02287	4.8
161.05962	1.7
161.09598	1.4
163.03902	1.7
163.11176	5.7
165.09088	8.4
167.10692	1.7
169.08638	1.1
173.02350	2.8
177.01793	1.6
177.12828	2.3
179.03444	1.3
179.10712	2.1
179.51254	0.9
181.12257	14.7
183.10194	23.3
183.11743	1.9
185.05957	1.3
189.01871	1.7
189.12785	2.2
197.06105	1.8
199.41444	1.1
203.10756	0.9
223.07521	2.7
225.11284	100.0
226.11685	4.0
241.05142	1.7
241.08841	1.3
245.67422	1.0
247.35162	1.0
251.07216	3.9
251.12868	2.1
252.07997	1.9
253.05153	1.3
253.09294	3.4
254.05801	1.7
267.06436	2.2
269.08170	61.0
270.08725	2.9
295.06207	1.8
295.11829	1.9
312.99765	2.5
313.03522	8.0
313.07208	52.9
313.12961	55.4
314.07544	3.9
314.13284	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	313.2385
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
59.00182	1.2
59.01241	100.0
59.02472	1.8
70.53375	0.4
71.01247	2.0
75.00727	1.2
81.17243	0.4
88.68353	0.5
89.02296	2.7
90.85110	0.5
91.02077	0.6
93.03322	0.7
101.02300	2.9
107.38232	0.5
112.05288	0.4
113.02335	0.6
115.29198	0.5
131.03442	0.5
139.11214	1.0
145.73657	0.5
161.04431	0.7
184.01505	0.6
184.23544	0.5
185.00792	2.0
207.29388	1.7
225.22134	1.5
253.09280	9.2
253.21758	6.9
254.22186	0.5
271.22797	55.1
272.23120	3.6
294.63937	0.7
313.10889	0.6
313.16733	5.3
313.23856	19.6
314.24210	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71355	0.3
58.99917	1.2
59.01242	100.0
59.02424	1.7
60.01569	0.5
66.98449	0.3
71.01245	1.5
79.67857	0.3
85.02812	0.3
87.29970	0.3
89.02296	2.0
89.54788	0.3
91.72775	0.3
101.02301	1.2
113.02322	0.7
114.85522	0.3
119.03391	0.5
125.02437	0.4
139.11182	0.6
139.17546	0.3
161.04442	0.5
181.39085	0.3
207.29385	1.3
220.57022	0.5
225.22289	1.6
253.09286	6.5
253.21739	6.8
255.34773	0.4
271.22797	50.2
272.23160	3.9
283.22812	0.4
313.11212	0.7
313.23880	19.1
314.24045	1.3
314.27182	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2385
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
52.87352	0.2
58.99902	0.9
59.01242	100.0
59.02425	1.8
59.49420	0.2
60.01575	0.6
60.14538	0.2
63.36128	0.2
71.01240	0.6
74.12096	0.2
78.52210	0.3
89.02322	0.8
101.02319	0.7
138.51285	0.3
139.11139	0.3
184.23654	0.4
202.42404	0.3
207.29404	1.2
225.22119	2.0
253.09317	2.9
253.21736	7.1
271.22803	52.4
272.23233	2.7
298.97736	0.3
313.23868	19.8
314.24252	1.1
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	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
54.40825	0.3
59.00983	0.4
59.01247	7.3
59.79425	0.3
67.17565	0.4
71.01231	0.5
74.07681	0.3
83.04849	0.4
89.02324	0.4
92.78076	0.4
97.06474	0.4
101.02316	0.6
109.02768	0.5
111.08018	0.8
113.09578	1.2
121.02815	0.7
135.21477	0.4
139.11192	0.6
153.12711	0.8
157.08606	8.7
169.12225	0.9
179.98816	0.4
183.10120	0.6
201.11308	0.5
213.05478	0.4
249.22301	0.5
253.09261	1.6
277.21765	2.1
295.22781	15.6
296.23154	0.8
311.22247	1.2
313.10400	1.2
313.23871	100.0
314.24182	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	313.2386
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
56.64222	0.2
58.00453	1.0
58.81199	0.4
59.01244	1.4
66.16830	0.2
71.01225	0.3
73.94199	0.2
82.25252	0.2
87.00762	0.3
89.02290	0.3
97.06439	0.5
99.08015	8.9
101.02270	0.4
109.39178	0.3
111.08018	0.4
113.09549	0.5
121.02853	0.4
127.07546	1.6
129.09088	10.2
139.11140	0.6
167.14343	0.5
169.02139	0.2
169.15923	0.4
177.12695	0.3
179.14244	0.4
183.13821	17.9
183.20732	0.3
184.14156	0.6
195.13832	5.5
213.14915	9.2
214.15297	0.3
241.54584	0.3
253.09299	1.0
254.93661	0.3
277.21713	4.0
295.22812	8.1
296.23151	0.8
311.22324	1.0
313.10510	1.1
313.23868	100.0
314.24216	6.2
327.21719	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	313.2385
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
54.19902	0.2
57.03301	0.5
59.01225	1.0
63.54890	0.3
69.91831	0.8
69.92252	0.5
76.00729	0.3
83.04855	0.4
86.90656	0.2
88.30595	0.5
89.02275	0.4
97.07565	0.2
110.88306	0.2
134.46275	0.3
135.68767	0.3
139.11195	0.6
149.00966	0.2
149.66457	0.2
153.26903	0.2
183.01102	0.4
184.01427	0.6
185.00591	2.3
186.01453	0.5
201.11270	0.3
218.00446	0.3
223.20726	0.4
249.22269	1.0
251.23790	66.4
252.24120	3.5
253.09233	1.1
269.24811	1.9
269.91254	0.3
295.08316	0.3
295.22778	25.5
296.23077	1.3
313.07782	0.8
313.16763	5.6
313.23859	100.0
314.16614	0.5
314.24173	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	314.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42250	0.7
59.01246	10.2
61.97461	2.0
61.98694	100.0
62.00051	1.7
82.78313	0.9
89.02258	1.1
89.59203	0.9
96.79145	0.8
107.01237	1.0
136.92418	1.1
186.06801	1.2
217.04526	1.0
230.65814	0.9
249.12447	0.9
254.09717	3.7
287.12891	1.2
295.21857	1.5
300.02765	6.8
315.05139	7.9
315.12549	4.2
315.19730	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	314.2703
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.26075	0.7
53.80462	0.8
59.01240	11.6
59.07267	1.0
59.94639	0.8
62.38353	0.8
63.67669	0.9
69.51114	0.8
72.00763	8.7
73.85847	0.9
75.81083	0.8
82.84389	0.9
90.72965	0.9
104.64831	0.9
114.65215	1.0
126.09110	0.9
128.14275	1.0
147.80156	1.2
150.82779	1.1
151.00259	1.5
155.31534	1.0
157.51506	1.2
186.06784	1.1
202.02620	1.4
223.20712	1.2
225.22212	2.8
235.20691	1.3
243.13890	3.6
248.23784	10.9
251.20108	1.3
253.21745	20.5
254.09706	2.0
254.24699	1.8
255.23337	6.3
264.23392	6.6
266.24838	2.5
271.02548	1.6
271.13303	1.7
271.20490	1.4
278.24896	76.8
279.25351	5.2
282.24384	34.6
283.24881	1.5
284.25970	31.8
285.26291	1.7
296.25882	11.1
297.18634	2.5
300.02826	9.3
314.27036	100.0
315.05118	9.4
315.12317	7.1
315.19666	8.8
315.27588	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	27.7
59.37148	1.4
72.99168	24.0
73.02805	3.6
74.99239	3.6
77.22588	1.4
83.05994	5.0
93.03311	2.8
96.50922	1.4
101.56751	1.6
117.00308	33.5
126.00327	2.9
130.01054	2.4
131.08131	50.5
132.98285	4.1
137.02319	5.2
139.29568	1.9
141.00316	4.8
144.99799	2.1
149.00748	2.0
150.05132	6.3
151.02432	2.1
159.01387	16.9
170.97838	2.1
172.00894	23.7
172.97791	1.9
172.99318	10.8
173.00807	2.0
173.03012	2.6
173.10341	8.7
174.00142	19.7
174.99397	27.0
175.99489	2.6
185.02971	1.9
189.02029	1.9
192.02597	4.6
192.06235	3.6
194.07790	2.6
195.01460	2.0
196.05673	25.9
198.99422	15.8
202.02646	4.9
208.05943	1.9
214.05972	2.6
215.00510	1.9
217.00494	46.1
217.02621	3.3
218.00647	5.2
231.08360	6.2
238.06795	100.0
239.07048	4.8
241.00554	13.8
243.13896	3.1
255.03723	11.7
255.09497	63.9
256.03809	1.8
256.09604	3.4
259.01599	47.9
260.01849	9.4
273.10568	4.7
287.12631	2.3
315.00504	3.5
315.04498	3.1
315.12579	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	315.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01227	0.1
59.23535	0.1
61.81031	0.1
61.82781	0.1
62.96265	0.1
64.11253	0.2
71.71846	0.2
76.90048	0.2
81.03325	0.2
84.76962	0.1
87.58978	0.1
91.01762	0.2
106.06096	0.2
107.01274	0.2
109.02809	2.0
110.03091	0.1
115.05379	0.4
117.03222	0.2
121.02788	0.3
123.00725	0.2
127.05403	0.4
133.02831	1.0
135.00761	0.2
137.02271	0.2
143.03848	0.2
143.04912	3.4
145.02837	0.3
151.00189	0.2
152.97537	0.1
153.01726	0.2
153.03380	0.2
154.04117	0.2
155.04900	0.9
157.02834	0.2
158.03635	0.3
159.04399	0.9
161.05885	0.2
169.02899	0.3
170.03590	0.5
171.04420	7.3
171.40991	0.1
172.04758	0.3
177.01788	0.3
178.99821	0.2
181.02794	0.4
182.03639	0.8
183.04382	0.3
186.03139	0.6
187.03912	3.0
189.05373	0.2
197.02344	1.0
198.03143	2.1
199.03944	9.9
200.01140	0.2
200.04295	0.5
201.01797	0.2
210.03133	0.2
213.01863	0.3
214.02643	1.9
215.03448	19.2
216.03729	1.0
225.01889	0.8
226.02631	1.1
227.03453	4.6
229.01515	0.2
241.01466	0.5
242.02185	5.5
242.04686	0.3
243.02966	19.2
244.03331	1.0
254.02296	0.7
264.94028	0.1
269.00977	0.3
270.01767	1.0
271.02496	100.0
271.13892	0.9
272.00455	0.1
272.02820	5.8
315.01508	9.0
315.04941	0.5
315.12085	0.2
316.01776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0149
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
59.01227	0.1
59.23535	0.1
61.81031	0.1
61.82781	0.1
62.96265	0.1
64.11253	0.2
71.71846	0.2
76.90048	0.2
81.03325	0.2
84.76962	0.1
87.58978	0.1
91.01762	0.2
106.06096	0.2
107.01274	0.2
109.02809	2.0
110.03091	0.1
115.05379	0.4
117.03222	0.2
121.02788	0.3
123.00725	0.2
127.05403	0.4
133.02831	1.0
135.00761	0.2
137.02271	0.2
143.03848	0.2
143.04912	3.4
145.02837	0.3
151.00189	0.2
152.97537	0.1
153.01726	0.2
153.03380	0.2
154.04117	0.2
155.04900	0.9
157.02834	0.2
158.03635	0.3
159.04399	0.9
161.05885	0.2
169.02899	0.3
170.03590	0.5
171.04420	7.3
171.40991	0.1
172.04758	0.3
177.01788	0.3
178.99821	0.2
181.02794	0.4
182.03639	0.8
183.04382	0.3
186.03139	0.6
187.03912	3.0
189.05373	0.2
197.02344	1.0
198.03143	2.1
199.03944	9.9
200.01140	0.2
200.04295	0.5
201.01797	0.2
210.03133	0.2
213.01863	0.3
214.02643	1.9
215.03448	19.2
216.03729	1.0
225.01889	0.8
226.02631	1.1
227.03453	4.6
229.01515	0.2
241.01466	0.5
242.02185	5.5
242.04686	0.3
243.02966	19.2
244.03331	1.0
254.02296	0.7
264.94028	0.1
269.00977	0.3
270.01767	1.0
271.02496	100.0
271.13892	0.9
272.00455	0.1
272.02820	5.8
315.01508	9.0
315.04941	0.5
315.12085	0.2
316.01776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0148
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
55.27045	0.2
58.19862	0.2
59.01245	1.3
59.11685	0.2
60.03091	0.2
67.01749	0.3
71.01233	0.4
72.51212	0.2
73.02792	0.3
81.03313	0.9
85.02824	0.3
89.02262	0.2
91.01731	0.7
93.03321	0.8
95.01246	0.2
95.82610	0.2
99.00739	0.4
99.08016	0.5
101.02292	0.3
101.03818	0.2
107.01258	2.3
107.04898	0.2
108.02026	2.8
108.99857	1.2
109.02812	91.8
109.06342	0.8
110.03164	2.1
111.00724	0.3
115.05401	0.5
121.02834	0.3
123.04414	0.2
131.04930	0.3
135.00735	1.3
135.04417	0.3
136.01500	0.5
137.02335	0.7
138.03149	0.3
139.11191	0.3
143.04904	8.8
144.05251	0.3
145.06477	1.3
147.04402	0.5
151.03932	0.9
152.96931	1.0
153.01822	91.1
154.02161	2.2
155.04904	1.3
159.04399	0.6
161.02425	0.3
163.00241	0.5
163.03941	0.6
171.04427	9.5
172.04811	0.4
173.02293	0.5
173.05952	0.2
174.03114	3.7
175.03871	0.3
177.98962	0.3
178.99771	5.6
179.10667	1.0
182.03642	0.7
182.31743	0.2
183.04416	4.6
184.04884	0.4
185.05989	0.5
186.03214	0.2
186.06746	0.6
187.03951	2.3
189.01881	0.7
189.05489	0.5
195.13806	0.4
197.02502	0.4
197.13255	0.2
198.03151	4.2
199.03949	4.9
202.02654	7.4
203.03296	0.5
210.03210	1.0
211.69861	0.2
212.04803	0.4
213.05536	0.4
214.06354	1.2
215.03413	1.5
215.14337	0.2
225.01917	0.2
225.05042	0.3
226.02658	4.0
227.03458	45.0
227.14088	0.4
228.03799	2.5
239.12860	0.8
242.02164	0.9
243.02975	3.1
243.13872	1.6
270.90536	0.8
271.02496	100.0
271.13458	3.3
272.02811	5.5
283.11850	2.7
285.07312	0.3
287.12897	0.9
297.18530	0.9
300.02744	0.4
315.01486	37.7
315.09088	0.8
315.12347	13.5
315.19736	4.1
316.01810	2.5
316.12616	0.5
335.18314	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	315.0512
Annotation	Capillarisin
Peak:m/z	Relative Intensity
52.92093	1.1
57.03317	1.1
59.01242	19.5
62.87747	1.1
71.01234	7.9
71.04877	1.9
72.99149	1.5
73.02805	2.3
80.06619	1.2
82.84011	1.1
85.02804	2.7
87.00748	2.1
89.02294	9.2
93.03284	1.4
95.01262	1.7
96.95910	1.7
101.02299	7.2
107.04875	3.3
108.02036	4.1
109.02815	100.0
109.05747	1.5
109.06456	2.1
110.03155	2.3
111.08135	1.5
113.02322	4.7
115.03865	7.9
117.03313	2.3
119.03370	3.1
120.02066	1.5
121.02818	2.3
122.03606	1.9
123.00743	4.9
123.04395	4.3
126.97814	1.5
132.02086	1.4
133.02827	54.8
134.03194	1.8
135.04399	40.7
138.03108	6.7
149.02335	9.0
150.03149	1.4
151.00198	3.2
151.03891	2.8
151.07510	3.0
152.07845	2.1
153.01826	1.7
153.05473	21.9
161.02336	77.6
162.02693	3.7
166.90105	1.3
179.03464	4.1
195.06541	3.3
199.06030	2.5
204.99431	2.5
205.01358	49.2
206.01964	1.9
227.03488	3.8
227.07196	3.5
241.04977	1.5
241.56667	1.5
243.02992	1.9
253.05165	3.8
255.02969	1.6
269.04623	4.0
271.02664	6.0
271.06125	45.9
272.06451	3.9
277.82623	1.4
279.42450	1.5
297.04108	3.2
297.07529	2.0
300.02771	8.5
314.13113	3.0
315.01697	2.8
315.05093	17.8
315.10800	8.7
315.14410	5.8
316.11713	2.0
319.40521	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0511
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.34044	0.2
59.01245	2.2
63.01930	0.3
63.02254	5.4
65.00185	3.0
71.01239	0.3
76.84895	1.0
76.85362	0.5
80.74814	0.3
83.01241	5.0
90.65350	0.3
91.73332	0.3
95.01270	0.4
107.01245	9.7
108.02046	2.1
114.19033	0.3
120.02087	0.7
120.14810	0.3
123.00737	0.6
124.01538	2.2
125.02294	0.4
133.06461	0.3
135.00761	1.0
136.01512	1.2
137.02280	0.6
141.69135	0.3
148.01540	4.5
149.99461	1.4
151.00259	16.7
152.00900	0.9
153.01775	0.4
154.77042	0.3
159.04326	0.4
161.04405	0.3
163.00267	2.6
164.01051	5.5
165.01543	0.3
169.01363	2.4
171.04425	0.3
172.05168	0.7
174.03140	1.8
183.04411	0.6
185.02507	0.3
185.05949	0.4
186.06763	0.9
187.03926	0.4
188.04712	0.3
189.01811	0.7
192.00681	0.3
199.03920	0.9
200.04643	0.9
202.02667	2.8
203.03409	0.8
204.04260	0.3
211.04018	0.9
215.03522	0.9
216.04280	2.0
217.00238	0.3
226.02782	0.4
227.03409	3.0
228.04219	0.5
229.01552	0.4
237.16579	0.4
239.03455	0.4
243.02956	2.2
243.13908	1.3
244.03722	0.6
251.18095	0.7
253.16008	1.3
254.02191	0.5
255.02943	3.5
267.17563	0.4
269.19122	3.2
271.02448	4.8
271.13409	1.1
271.20709	3.1
272.03186	1.7
273.42572	0.3
283.02557	3.4
287.12985	0.7
297.18533	3.6
299.01990	1.0
300.02759	74.4
301.03073	4.7
315.05121	100.0
315.12360	4.8
315.19669	19.7
316.05420	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	315.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	1.1
59.01021	0.4
59.01247	4.1
63.96070	0.4
67.67921	0.3
69.24934	0.4
71.01244	2.8
71.04855	0.7
73.02811	1.6
85.02778	0.6
89.02297	2.3
90.61651	0.5
96.95840	0.9
99.10003	0.5
101.02307	1.9
107.04896	0.7
109.02799	1.3
113.02313	0.7
115.03867	2.9
119.03369	1.0
120.99520	100.0
121.02991	1.2
121.99797	0.7
122.03616	0.6
125.05939	1.1
130.08630	1.1
134.03615	25.9
135.04332	1.0
136.99034	2.0
137.02330	0.5
138.03107	2.0
143.11745	0.8
149.05971	21.4
150.06358	0.5
153.01859	1.5
153.05458	3.3
161.04536	0.5
165.09149	2.3
173.05945	0.6
174.03224	0.6
178.02585	2.1
179.03427	0.5
193.04984	5.4
195.06453	0.6
203.06911	0.6
227.03671	1.0
243.02963	1.3
257.10303	0.9
271.02521	1.6
315.01752	0.9
315.05130	1.0
315.10904	2.2
315.14517	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	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
55.73662	0.2
57.54745	0.2
59.01233	0.8
61.45575	0.2
68.17155	0.2
71.01240	0.9
72.98784	0.2
72.99165	3.1
73.02788	0.4
74.67131	0.2
75.00736	0.3
81.03323	0.5
85.02821	0.2
89.02317	0.6
91.01743	0.3
93.03321	0.2
95.43680	0.2
96.95872	0.5
101.02287	0.4
103.00232	0.6
107.04897	0.3
108.02031	2.8
108.99457	0.6
109.02815	69.5
109.05747	1.0
110.03142	1.7
114.43580	0.2
116.58385	0.2
120.02036	0.9
121.02818	0.4
123.00790	0.2
123.04378	0.3
138.03084	1.7
152.01067	0.7
152.96240	0.7
153.01826	100.0
153.05435	12.8
153.06693	1.2
154.02153	2.8
154.05797	0.2
161.00838	1.1
211.93620	0.2
223.22974	0.2
223.71481	0.2
230.18491	0.2
243.13858	0.4
248.94701	0.2
271.13516	0.2
280.02969	0.2
315.07266	13.3
316.07428	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0724
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
53.14096	0.9
53.14315	0.4
59.01233	1.5
62.87043	0.3
71.01238	1.2
72.99168	2.8
73.02803	0.8
81.03311	2.4
85.02797	1.1
87.00716	0.8
89.02336	0.5
93.03292	0.5
95.01245	0.9
96.95811	0.6
101.02283	0.5
103.00234	0.9
107.01304	0.4
107.37939	0.4
108.02027	59.9
108.99843	0.9
109.02816	69.3
110.02454	0.4
110.03132	2.2
118.97897	0.4
121.02821	1.4
123.00700	0.6
123.04393	0.8
125.02389	0.7
133.02834	1.0
135.00751	1.3
135.04425	0.5
136.03912	0.4
136.65764	0.4
151.03876	1.6
152.01036	37.8
152.96889	1.2
153.01819	100.0
154.02158	3.2
160.03941	0.5
161.00822	1.0
161.04373	0.8
161.91982	0.4
163.03897	1.1
165.01785	0.5
165.05525	0.6
176.03371	0.6
179.03467	0.4
193.63841	0.4
202.22684	0.4
204.12482	0.4
222.04123	0.5
298.05637	0.8
315.07236	74.6
316.07486	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.9
65.99723	1.0
67.01756	0.7
68.63725	0.2
68.99673	0.6
70.67886	0.3
71.01249	0.4
77.05257	0.3
77.32209	0.3
79.13542	0.3
79.78909	0.3
81.03316	4.7
83.01257	0.7
84.70544	0.2
86.00848	0.3
89.02297	0.4
89.45463	0.2
93.03334	0.7
95.01244	1.4
97.02821	0.3
99.49881	0.3
101.02290	0.3
102.04642	0.4
103.05415	1.1
107.01243	5.2
108.02036	8.0
108.02779	0.4
109.02841	0.4
110.64629	0.3
111.00757	3.5
117.24529	0.3
119.01270	0.5
119.04892	27.7
119.08047	0.5
120.05264	0.4
121.02834	0.8
123.00751	4.1
124.01556	2.5
125.02323	5.2
130.04121	7.1
131.00801	0.5
131.04904	33.0
132.05270	0.9
137.02380	0.4
139.00229	0.8
147.04401	2.8
149.05971	51.4
150.06323	1.5
151.00258	25.6
152.01051	13.1
152.02333	0.4
153.05409	0.9
166.02617	54.3
166.97453	0.9
167.03401	100.0
168.03726	2.6
174.03091	1.6
175.03831	0.3
175.25479	0.3
186.06781	1.0
191.03484	0.5
202.02641	2.8
209.04311	0.3
214.06367	0.7
220.95050	0.3
243.13831	1.2
254.60165	0.3
269.19199	0.4
271.13333	1.7
283.06421	0.3
285.07697	6.6
286.08154	0.5
287.12915	0.6
297.07703	7.0
297.18524	0.4
298.07840	0.4
300.02563	0.3
315.05234	0.5
315.08685	2.7
315.12320	6.2
315.19724	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01222	4.0
61.09113	0.8
71.01209	1.5
73.08389	1.0
81.03303	1.0
84.85787	0.8
86.85875	0.8
88.83853	0.8
89.02278	0.9
90.27383	0.8
90.76586	0.8
91.05424	0.8
91.10289	0.8
93.03316	34.9
95.01257	1.0
99.07996	1.6
101.02286	1.1
104.67563	0.9
107.04902	1.3
108.02034	5.2
109.02813	57.4
119.04881	1.2
121.02818	59.9
122.03619	34.4
123.00720	4.0
123.04369	1.6
124.01524	4.6
125.02311	1.9
130.04158	1.2
132.02039	3.5
133.02831	16.8
134.03619	11.0
135.04385	19.8
136.01526	6.7
136.05182	2.3
137.02295	2.9
137.05927	2.1
139.00212	2.5
143.04897	1.5
147.04395	2.9
149.02283	1.6
149.05986	0.9
150.03125	5.5
151.00209	2.3
153.01825	66.8
153.05435	4.1
159.04442	1.1
161.02339	50.7
162.02948	2.1
163.03873	4.1
164.04698	1.3
165.01828	56.4
165.05479	6.6
166.02612	29.6
167.03354	2.3
168.04086	1.6
169.06444	2.5
171.04420	2.8
177.05492	8.2
178.02583	4.1
179.03377	12.2
180.04192	24.0
180.05647	1.9
181.04851	2.7
181.06474	2.9
187.03976	1.6
189.01787	1.1
189.84767	1.0
194.00417	2.0
194.02133	22.4
197.05968	3.9
198.01617	25.5
198.03081	1.0
199.03951	4.9
200.04764	1.5
206.02092	6.2
207.02890	11.7
208.03665	9.4
208.05290	2.1
209.04453	92.8
209.06085	10.1
210.04791	3.9
210.06783	5.6
212.03203	45.3
213.05537	1.4
215.03424	3.3
220.05260	1.1
221.04451	39.3
222.04953	2.0
225.05565	10.8
226.06317	52.2
227.03432	3.1
227.07069	23.5
228.07591	1.9
229.04973	4.8
237.05524	7.7
238.06316	23.6
239.06647	1.8
241.04959	3.8
241.08693	7.6
243.02989	4.3
243.05556	1.0
243.10286	1.9
253.04996	2.8
253.08760	7.4
269.08148	1.9
270.02448	1.4
270.05359	19.9
271.02457	29.3
271.06042	25.0
272.02921	1.2
272.06555	2.8
281.04800	1.6
282.05338	18.0
285.07690	67.6
286.08002	4.5
287.09177	3.2
297.04184	2.3
297.07675	47.7
298.08002	2.6
300.02811	2.6
300.06317	1.3
315.01242	4.6
315.05026	9.1
315.08710	100.0
315.17935	6.6
315.23273	1.5
316.08987	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38677	0.6
59.01237	5.0
67.01752	0.7
68.58946	1.2
71.01232	1.6
72.99177	0.7
78.67859	0.6
79.97887	0.7
81.03319	0.8
89.02293	1.2
93.03321	2.0
97.02813	0.9
99.08030	3.5
101.02290	1.0
101.63981	0.8
108.02017	2.6
109.02811	30.3
111.00735	0.9
119.03401	0.8
119.04944	1.1
121.02817	9.2
123.00736	2.3
125.02295	1.5
133.02817	7.2
134.03648	4.5
135.04401	14.1
136.01508	1.4
138.03130	2.2
141.06963	2.0
143.04926	1.7
146.03635	2.5
147.04404	9.7
148.04797	0.7
151.00243	3.1
152.01057	1.4
153.01820	37.1
153.05409	4.0
154.02190	1.4
157.06508	2.0
159.04420	0.8
161.02338	30.1
167.04855	3.3
169.01271	2.9
169.06444	3.6
171.04451	3.8
173.02309	1.0
174.03107	1.2
175.03938	1.2
178.02612	1.2
179.03407	9.9
183.04440	2.3
184.05196	1.6
185.06009	12.2
187.03928	1.2
195.04445	9.2
196.05212	3.1
197.06015	6.1
197.11673	1.0
198.03065	1.3
199.03949	2.2
199.84512	0.7
202.02782	0.9
203.03691	0.7
211.03990	2.9
212.04680	6.6
213.05521	33.2
214.05959	1.9
215.03548	1.6
223.03951	6.1
224.04739	14.5
225.05450	2.1
227.03430	2.4
227.07048	1.3
229.05026	1.7
239.03421	3.9
239.07121	2.6
240.04259	8.3
241.05037	86.9
242.05350	4.8
243.02975	2.3
245.04474	0.9
251.03493	1.2
255.06598	2.8
256.07388	26.7
257.04593	1.1
257.07639	1.7
259.06061	2.4
267.03018	2.5
268.03860	3.4
271.02585	5.6
271.06378	1.5
271.09723	7.9
272.07019	1.0
272.10065	1.1
273.04083	1.0
283.06155	7.0
284.06647	1.1
285.04037	8.7
287.18405	0.8
300.02817	3.3
300.06342	35.4
301.06808	2.5
315.01230	2.0
315.05341	4.6
315.08728	100.0
316.09039	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	315.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38895	0.7
59.00983	0.7
59.01245	5.8
71.01242	2.0
75.27502	0.7
85.02771	1.0
88.00267	0.9
89.02285	1.5
91.73413	0.9
93.03307	5.5
94.37459	0.8
97.52084	0.8
101.02331	0.9
106.04104	18.7
106.55945	0.9
107.04891	27.1
108.02046	8.2
109.02821	22.8
117.03274	1.4
119.04906	9.3
121.02811	7.1
122.03601	5.8
123.00746	2.4
123.04395	5.8
125.02234	0.9
133.02812	6.1
134.03629	1.0
135.04401	16.7
136.01524	4.8
137.02321	1.9
138.03107	3.4
145.02831	2.1
146.03526	1.0
147.04410	3.9
149.02325	2.6
150.03116	32.2
151.00243	1.7
151.03894	6.9
152.01157	0.9
153.01826	29.1
153.05443	4.9
161.02348	21.4
162.02815	1.1
163.03888	2.8
169.06468	1.3
175.04033	1.0
178.02614	5.2
179.03412	59.8
180.03812	2.8
181.06442	2.1
182.02130	27.7
182.07274	2.7
185.05942	1.6
187.03833	0.9
191.03435	19.1
197.06068	4.2
199.03874	1.0
200.04680	1.0
209.05981	6.2
210.06781	1.8
211.04025	1.2
221.06075	1.3
222.06763	2.2
223.07599	1.6
225.03242	1.7
225.05536	55.1
226.06311	71.4
227.06773	3.7
229.01257	1.4
229.05008	1.6
237.05542	3.4
238.06331	10.3
239.10281	0.9
241.05052	1.7
241.08685	11.7
243.02892	2.0
243.10225	1.8
253.05141	3.3
254.05807	2.8
265.04965	1.7
266.05795	4.4
267.06613	2.4
269.04822	1.3
269.08008	1.1
270.05353	24.8
271.02521	3.0
271.05948	1.6
281.04550	7.7
282.05380	17.5
283.06000	1.0
285.07703	100.0
286.07990	5.2
287.09247	3.2
297.07669	38.0
298.08002	2.5
300.02863	5.3
315.01630	1.9
315.05072	10.8
315.08759	41.0
315.12170	3.8
315.18314	2.8
316.08923	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	315.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	7.8
59.01242	3.7
61.98693	0.3
63.02254	1.0
65.00185	0.7
66.59145	0.2
68.99657	0.5
70.04910	0.2
71.01225	0.4
73.02806	0.3
74.98964	0.2
80.84327	0.2
81.03322	1.4
81.94630	0.2
83.01238	5.8
89.02303	0.4
93.03316	0.7
95.04900	0.4
101.02284	0.2
107.01249	1.8
108.02059	0.3
109.02798	0.3
109.06478	0.4
119.03418	0.3
119.04893	3.1
121.02787	0.6
123.04377	1.0
124.98382	0.9
125.02313	100.0
125.05746	1.0
126.02665	2.0
131.04976	0.2
133.89685	0.2
136.01578	0.2
141.03107	0.2
147.04408	0.5
148.01547	0.6
149.02377	0.6
149.99503	0.3
150.05486	0.3
151.00275	2.4
154.25107	0.3
159.04433	0.6
161.02345	0.3
163.00226	0.4
164.01051	0.6
167.03401	1.3
169.01379	0.5
172.05147	0.3
173.02290	0.8
173.04543	0.4
174.03140	4.0
175.03848	0.5
184.05351	0.3
185.05936	0.6
186.06779	1.1
189.01848	1.1
189.05522	2.6
199.04004	0.4
202.02657	7.2
203.03444	0.8
212.04820	0.5
214.06335	1.1
215.14354	0.6
217.00230	0.3
227.03566	0.3
227.14427	0.5
232.97566	0.3
243.02972	0.4
243.13858	2.5
255.03123	0.5
256.03790	0.3
269.11639	0.5
269.19196	0.5
271.02438	0.4
271.13431	3.1
271.20703	0.9
272.03235	0.3
287.12973	1.3
297.18567	1.3
300.02756	8.3
301.03015	0.6
315.05133	9.9
315.08774	1.8
315.12442	14.7
315.19730	7.1
316.05386	0.7
316.12802	1.1
316.20065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1086
Annotation	dopaol beta-D-glucoside
Peak:m/z	Relative Intensity
50.24343	1.0
53.38940	0.8
55.01742	1.3
55.97573	0.9
57.03315	1.4
57.58781	0.9
58.00463	2.0
59.00047	2.5
59.01241	100.0
59.02287	1.5
59.02549	1.2
70.99658	0.9
71.01239	51.5
72.99149	2.3
73.02802	6.7
83.01247	5.1
85.02805	12.6
87.00717	4.6
89.02296	57.2
95.01251	4.4
96.95843	1.9
97.02787	1.2
99.00735	3.3
101.02300	37.7
102.02619	1.3
109.02811	1.5
110.37766	0.9
113.02299	29.8
119.03365	23.5
121.02766	2.4
122.03596	10.7
129.03149	1.0
131.03421	1.2
136.23592	0.9
137.02344	6.2
137.05960	8.1
138.03102	55.2
139.03894	17.9
141.49911	1.0
143.03378	3.5
149.04427	2.0
152.04701	1.6
153.05457	60.1
154.05772	1.5
161.04463	8.4
162.03149	1.3
179.05554	5.6
180.04185	9.2
183.39909	1.5
194.25493	1.0
195.06564	19.1
242.02029	1.3
253.01447	1.2
255.08768	3.0
265.23944	1.0
277.05389	1.2
283.08478	1.5
315.07141	2.5
315.10870	73.3
316.11102	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	315.109
Annotation	Taxicatin
Peak:m/z	Relative Intensity
50.63597	0.2
50.85376	0.2
59.01250	2.3
70.74761	0.3
70.97527	0.3
71.01238	3.9
72.59712	0.3
72.99165	4.2
73.02802	1.0
73.40393	0.3
75.00736	0.3
81.03315	0.5
83.01249	0.6
85.02787	1.5
89.02309	1.0
92.65683	0.3
93.03368	0.4
94.59003	0.3
95.01247	1.2
95.04851	0.6
96.95888	0.4
99.00735	0.3
101.02309	1.3
103.00233	1.0
106.04123	0.5
107.04899	3.0
108.02045	1.4
109.02813	36.1
109.05874	0.5
110.03113	0.7
113.02301	1.6
120.02025	5.4
121.02839	0.8
123.04407	2.4
125.02327	0.7
128.33055	0.3
134.03630	0.4
135.04422	0.6
136.99199	0.3
138.03099	13.4
150.59642	0.3
151.00224	0.5
152.01016	0.4
152.96257	0.4
152.97278	0.4
153.01837	54.1
153.05460	100.0
153.10559	1.2
154.02176	1.4
154.05797	3.4
159.02817	0.7
161.00845	1.4
161.04485	2.1
165.05493	0.4
171.55209	0.3
176.07056	0.9
202.02760	0.5
243.13879	0.5
298.05438	0.4
300.03098	0.4
315.07376	7.0
315.12503	0.8
316.07690	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.124
Annotation	Monocillin II
Peak:m/z	Relative Intensity
52.18757	0.5
54.43299	0.5
55.42615	0.5
57.20969	0.5
57.27374	0.8
59.01243	6.8
62.30555	1.1
71.01234	1.6
84.15795	0.6
85.13860	0.6
89.02309	1.6
91.59480	0.6
102.20811	0.7
103.40131	0.6
107.01228	0.7
107.34740	0.6
108.02013	1.6
109.02809	1.8
113.02306	0.6
118.04102	0.7
119.01258	9.3
119.03342	0.7
121.02805	2.0
123.00790	0.8
123.04385	1.3
124.01577	0.7
129.26540	0.6
130.04137	1.2
131.04915	1.6
133.02800	0.8
135.04424	1.1
136.01550	5.4
137.02316	8.1
137.81660	0.6
138.03082	1.2
146.03659	0.9
147.00769	3.5
147.04393	2.0
149.02292	1.1
151.00235	1.6
152.01006	1.1
152.83932	0.6
153.01820	1.1
153.05493	3.8
157.06450	0.8
159.04405	3.4
161.02309	1.5
161.04510	0.6
162.03111	0.9
163.00316	0.7
166.02736	1.0
167.03419	1.3
169.06511	0.8
170.07288	0.7
173.02304	3.8
174.03130	29.8
175.00290	8.9
175.03775	1.7
176.00987	1.4
184.05299	1.2
185.05940	3.3
186.06848	3.8
187.03850	1.4
189.01871	5.0
199.03918	0.9
201.01933	1.7
202.02660	51.8
202.09793	0.8
203.03352	5.9
212.04790	3.1
213.05464	3.2
213.09178	1.1
214.06268	9.3
215.03450	1.4
215.14430	2.2
227.03400	0.9
227.14420	2.1
229.05070	1.8
230.05801	1.1
241.12263	1.0
243.03055	0.8
243.13889	11.0
244.14215	0.9
258.05411	0.9
259.13391	1.2
269.11819	1.8
271.02530	1.5
271.13409	24.4
272.03293	0.8
272.13739	1.0
285.07837	1.0
286.12415	1.0
287.12903	7.2
297.11136	1.0
300.02731	2.5
315.05237	7.0
315.12415	100.0
315.19498	4.3
316.12692	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	315.1603
Annotation	Perrottetin C
Peak:m/z	Relative Intensity
52.35907	0.3
57.03308	0.6
58.25682	0.3
58.80367	0.3
59.01242	5.1
59.68904	0.3
61.45359	0.3
62.38435	0.3
67.93395	0.3
72.98053	0.7
78.74970	0.4
79.05402	0.4
81.06968	0.4
85.22998	0.4
89.10747	0.4
93.03321	0.5
93.06973	0.4
95.04892	1.2
99.08021	0.8
101.05941	3.9
107.04846	0.4
120.99333	0.3
123.00592	0.4
123.04382	0.8
125.05943	1.0
131.04904	0.5
143.04910	0.9
144.05698	5.8
145.06505	2.8
145.10104	1.9
147.04369	1.0
149.02357	0.6
151.03711	0.4
153.05457	0.8
157.06474	1.4
159.04413	1.1
160.05177	1.7
161.05942	0.8
165.12732	2.0
166.25667	0.4
171.04431	3.2
171.08035	0.5
172.08879	0.6
173.02344	1.3
173.05934	1.0
174.03137	1.0
175.03798	0.7
176.04654	0.6
177.12691	0.4
185.05997	1.1
185.09648	0.6
186.06706	1.2
187.03976	2.4
187.11209	13.4
188.04713	9.4
188.11462	0.5
189.05457	0.8
193.12346	0.5
195.08043	0.5
201.05496	1.5
202.02669	1.7
203.03380	1.4
203.10698	1.9
206.66118	0.4
213.09158	8.0
214.02652	1.0
214.09776	0.5
215.03523	0.5
215.07121	1.1
216.07884	1.8
217.00230	1.0
219.61426	0.4
227.10736	1.6
228.11528	8.5
229.05066	3.3
229.08598	1.9
229.12154	0.8
230.09381	1.3
231.10237	14.2
232.10683	0.8
232.97591	1.5
232.99861	0.5
233.15443	9.7
243.10153	0.5
243.13904	1.1
244.10941	0.6
256.14569	0.5
257.08221	4.5
258.08981	1.7
260.10568	0.6
270.95023	0.5
271.13885	1.2
271.17044	27.0
272.10583	3.1
272.17398	1.4
279.07446	0.4
287.13474	0.6
287.16592	2.2
300.03018	0.5
315.12668	4.6
315.16049	100.0
315.19379	4.5
316.16333	5.5
338.28568	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11633	0.9
55.01744	3.7
57.03312	4.7
59.01244	72.2
60.01584	1.4
60.11316	1.1
61.01669	1.7
63.02261	1.6
69.03339	1.6
71.01241	100.0
72.99170	2.1
73.02808	31.8
75.25533	1.0
83.01235	15.0
84.62772	1.0
85.02810	43.1
87.00737	3.3
89.02301	30.0
90.02640	1.2
91.73454	2.2
95.01244	5.7
97.02852	1.4
99.00736	14.6
101.02306	57.9
107.01257	1.4
113.02302	43.4
119.03384	9.5
124.01444	1.5
125.02307	2.0
143.03386	3.3
148.01466	1.7
149.04628	1.3
150.05528	1.6
151.00290	3.7
153.86322	1.3
159.02931	9.1
161.04449	31.6
164.01068	1.2
166.02747	1.1
174.03091	7.2
184.05243	1.6
186.06770	3.9
202.02682	10.9
202.75948	1.2
212.04637	1.3
214.06380	1.9
215.14365	1.3
243.13896	5.2
271.13425	7.9
271.16763	1.8
283.02194	1.6
284.03290	2.8
287.12915	4.8
300.02777	19.2
315.05154	27.4
315.08957	1.3
315.12390	30.0
315.19034	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	315.1815
Annotation	Geranyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.62644	0.7
55.01735	2.6
57.03300	4.4
58.00443	0.9
59.00081	1.4
59.01243	71.4
59.02488	0.9
59.52022	0.8
60.01582	1.4
60.49680	0.9
63.02246	2.3
65.00184	2.0
69.03313	1.5
71.01240	100.0
71.02867	1.8
72.01579	1.1
72.99171	1.8
73.02805	31.3
75.00725	2.4
77.47165	0.8
83.01244	15.1
85.02807	44.4
87.00726	2.7
89.01757	1.9
89.02296	32.3
93.03336	1.0
95.01235	6.7
97.02781	2.9
99.00742	16.5
101.02303	61.9
102.02619	1.0
107.01247	5.6
108.02014	1.4
113.02309	44.4
119.03362	7.0
124.01491	1.4
125.02293	2.4
129.01810	1.9
143.03339	3.4
148.01524	1.8
149.04527	1.6
149.99449	1.8
150.05437	1.6
151.00240	9.1
152.00969	1.1
159.02882	7.1
159.04277	2.2
159.84372	1.1
161.02397	1.4
161.04453	29.2
161.05789	1.6
164.01025	2.9
173.02345	2.3
174.03114	12.6
175.03748	2.3
185.06003	2.3
186.06752	3.6
187.03880	1.5
189.01866	2.9
199.03935	1.2
202.02676	23.8
203.03290	3.2
214.06277	3.9
216.04181	1.5
217.00374	1.7
227.03513	1.9
243.03000	1.6
243.13847	7.5
271.02512	2.7
271.13394	11.5
271.20636	1.5
272.13458	1.5
287.12897	5.7
287.22247	2.6
288.94095	1.0
292.91068	1.5
297.18613	5.0
300.02753	33.5
301.03262	1.3
315.05167	44.2
315.09308	2.0
315.12408	45.4
315.19714	24.0
316.05438	2.8
316.12607	3.1
316.19662	1.8
326.40518	1.1
331.34985	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1965
Annotation	7beta-Hydroxyabieta-8,11,13-trien-18-oic acid
Peak:m/z	Relative Intensity
52.17279	0.2
56.45206	0.3
57.03305	1.1
59.01245	3.0
63.02248	0.8
65.00188	0.5
69.03314	0.3
71.01232	1.0
72.70739	0.5
73.02788	0.6
76.49704	0.6
81.20697	0.2
83.01239	0.9
85.02803	0.6
89.02335	0.4
101.02305	0.8
107.01249	1.0
108.01988	0.4
109.06454	1.6
113.02299	0.6
136.01550	0.4
141.01788	0.3
151.00238	2.0
159.04329	0.4
163.11218	0.3
164.00955	0.6
169.01369	0.5
171.04375	0.3
174.03088	1.9
185.05948	0.5
186.06786	1.4
189.01910	0.6
199.00595	0.3
202.02643	3.7
203.03323	0.6
203.14340	0.5
214.06349	0.5
215.14345	0.4
227.14505	0.4
237.16409	0.9
243.13910	1.8
251.14423	0.7
251.18051	1.0
253.15979	6.0
253.19629	0.7
254.16327	0.7
255.17508	1.6
267.17560	1.2
269.19122	18.8
270.19479	1.7
271.02554	0.5
271.13321	1.9
271.20688	13.5
272.21091	1.1
285.18631	0.3
287.12817	0.9
297.18607	27.9
298.18878	2.1
300.02765	8.0
301.03119	0.7
315.05176	10.8
315.12411	9.2
315.19687	100.0
316.05484	0.7
316.19968	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	315.1968
Annotation	12-Hydroxydehydroabietic acid
Peak:m/z	Relative Intensity
55.49881	0.5
59.01107	4.8
59.01444	2.5
65.03723	0.9
72.98888	0.6
72.99242	1.3
76.65746	0.6
83.04749	0.7
85.37574	0.5
92.02383	2.4
93.03159	3.3
95.01131	0.9
98.61225	0.5
106.03954	8.2
107.01085	0.5
107.04725	26.9
107.05524	2.8
108.01857	2.1
108.05145	0.7
109.02695	1.3
119.04729	10.7
119.05647	0.8
121.02653	18.5
133.06291	2.4
134.03456	0.7
137.02229	1.2
147.04297	1.4
151.00122	1.7
175.11125	0.7
188.98398	0.7
232.97545	4.6
271.20691	87.3
272.21036	8.1
300.02789	5.9
315.05222	8.0
315.19763	100.0
315.23325	18.7
316.20053	8.5
316.23746	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	315.254
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00448	0.5
59.01249	1.7
69.12783	0.3
71.01242	0.3
78.05832	0.2
81.76865	0.2
82.90984	0.2
91.72650	0.2
94.60457	0.2
108.02125	0.3
111.24968	0.2
113.09586	3.7
121.15486	0.3
124.52466	0.3
143.10674	1.4
147.04555	0.2
153.05516	0.7
153.12741	0.7
155.14297	1.7
157.06509	0.2
171.13795	0.9
174.03146	0.5
183.13817	1.0
184.73828	0.2
185.05954	0.3
185.15356	0.3
186.06758	0.8
190.98798	0.4
191.99258	0.2
199.13347	2.9
202.02626	1.1
214.06403	0.4
217.00302	0.6
229.14432	1.1
232.97516	0.3
243.13916	1.1
253.15894	0.5
269.19318	0.4
270.95044	0.4
271.13376	0.9
271.20795	0.6
279.23328	1.8
287.12952	0.9
295.22687	1.0
297.18948	0.5
297.24356	11.2
298.24631	0.5
311.22314	0.3
313.23837	5.1
314.24103	0.3
315.12408	4.1
315.19519	2.7
315.25406	100.0
316.25754	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	315.254
Annotation	(9R,10R)-Dihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
52.42329	0.1
55.57470	0.1
56.57339	0.1
57.54171	0.1
58.00449	0.6
59.01238	1.3
59.12504	0.1
72.99179	0.1
75.19642	0.1
85.02779	0.1
89.02253	0.1
93.03323	0.3
108.02003	0.2
109.02808	0.2
120.15728	0.1
120.72726	0.1
125.09608	1.0
127.11167	3.5
128.69958	0.2
137.02373	0.1
137.09555	0.2
139.11172	0.4
141.12735	5.2
141.13814	0.2
142.13025	0.2
143.10661	1.3
151.00185	0.3
153.05444	0.5
153.12747	0.3
155.03473	0.1
155.10666	1.1
155.14430	0.2
157.12241	0.6
165.09114	0.1
169.12244	0.5
171.10170	2.1
171.13805	1.2
174.03120	0.4
185.11852	0.2
186.06786	0.6
201.11255	1.5
202.02647	0.8
217.00310	0.3
233.00006	0.2
239.23720	0.3
243.13870	1.0
249.22197	0.2
255.03435	0.2
269.24945	0.3
270.94980	0.5
271.13412	0.6
277.21890	0.2
279.23267	1.8
287.12863	0.5
295.22824	0.4
297.24341	9.0
298.24619	0.7
300.02731	0.8
311.22260	0.2
311.92007	0.1
313.20535	0.1
313.23868	4.1
314.24203	0.3
314.93887	0.4
315.05063	0.8
315.12552	2.9
315.25400	100.0
316.12878	0.3
316.25760	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	316.1877
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
54.61242	0.4
57.03300	0.5
59.01241	3.8
59.42080	1.1
62.49821	0.5
63.94319	0.4
71.01229	0.7
71.04873	1.2
72.00768	0.7
72.99151	0.6
73.02795	0.6
73.03928	4.6
73.04195	0.4
82.06495	1.3
83.04872	0.8
93.03326	2.3
95.04881	0.6
98.02329	0.7
98.05970	0.9
103.04942	0.5
109.06459	0.9
111.04350	0.8
111.07974	0.7
115.03171	0.5
115.03855	3.3
115.08629	1.6
115.91943	1.5
116.04205	1.6
116.07040	15.7
116.92715	4.1
118.97946	1.2
119.04916	0.7
124.44392	0.6
125.07077	2.8
126.05491	3.9
127.07456	0.5
127.08660	2.8
129.10220	2.5
130.08615	80.9
131.08974	0.7
136.04005	0.6
137.02277	0.8
140.07008	1.2
141.10228	0.6
142.04913	0.7
143.07042	1.7
143.11786	2.5
151.06245	0.6
153.05493	0.7
154.09612	0.8
155.08177	5.4
157.09637	0.6
167.08145	1.4
168.13837	1.2
169.09729	1.9
172.10863	0.9
173.04468	6.9
177.04230	0.6
185.09239	4.8
185.16513	45.6
186.16794	1.3
194.24023	0.6
199.10855	2.1
201.07539	0.7
229.15543	3.1
242.18716	21.0
242.21150	1.2
278.13998	0.6
281.13937	0.7
286.17722	17.1
292.65744	0.6
293.10300	0.6
298.14081	0.6
298.17722	2.4
316.18768	100.0
317.12448	2.8
317.15857	1.3
317.19080	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	317.0303
Annotation	Norwedelic acid
Peak:m/z	Relative Intensity
53.30640	0.3
59.01239	2.0
64.85238	0.3
67.63207	0.4
70.47180	0.3
71.01237	0.7
72.99185	0.5
73.02802	0.4
81.03301	1.0
83.01225	0.6
87.00745	0.4
89.02287	1.0
91.01739	1.6
93.03313	1.1
95.01241	0.5
98.96036	0.4
101.02322	0.5
107.01250	6.1
108.02023	4.4
109.02811	100.0
109.05842	1.3
110.03159	1.9
111.00750	1.5
113.02325	0.7
119.37497	0.4
121.02783	0.4
122.03613	0.4
123.00755	1.9
124.01556	1.9
125.02328	0.7
127.00268	0.4
134.03613	0.5
135.00751	5.4
136.01563	0.6
137.02322	1.5
137.05937	0.4
139.00276	0.7
143.04930	0.6
150.11307	0.4
153.00653	0.7
153.01822	7.7
153.02948	0.7
158.03685	0.5
163.00266	23.0
166.02629	0.9
167.49908	0.5
171.04442	1.1
173.05981	0.4
174.03217	0.7
178.02643	0.9
178.99774	3.1
179.03421	0.8
181.01335	4.7
183.04390	0.5
198.01570	0.6
199.03935	0.6
200.04639	0.5
201.05583	0.4
203.03314	0.4
206.99292	13.0
211.03987	0.4
215.03374	0.7
226.02612	0.4
227.03571	1.8
228.02701	0.5
243.02895	2.1
244.03699	0.7
245.04512	8.9
246.04936	0.6
255.03024	1.8
271.02518	1.0
273.04068	23.3
274.04449	1.1
287.09311	1.0
299.01944	0.7
317.03046	7.5
317.06299	0.4
317.09958	3.7
317.16269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0666
Annotation	Deodarin
Peak:m/z	Relative Intensity
54.32715	0.6
55.68673	0.8
57.29470	0.4
59.01233	0.5
68.99660	1.0
71.01237	1.1
71.04874	0.4
72.99149	0.9
73.02782	0.6
75.62447	0.4
81.03317	0.6
90.00589	0.5
91.01769	0.6
91.72692	1.0
93.03315	1.3
95.01217	0.6
96.99169	2.0
108.02016	5.0
109.02811	45.7
110.03138	1.1
111.00745	1.3
115.03880	0.7
117.03336	2.2
119.04908	0.6
121.02843	1.7
123.00752	1.6
124.01530	1.8
133.02843	2.7
134.03604	1.2
135.03462	0.5
135.04358	2.7
136.01540	1.7
137.02322	27.8
138.02670	0.6
139.03897	1.8
140.88531	0.4
145.02835	5.3
149.02324	0.6
151.03894	50.9
152.04210	1.9
153.01775	1.0
161.02330	9.6
162.03160	2.5
163.00247	0.9
163.03905	17.1
165.01831	100.0
166.02180	4.0
173.02373	2.6
177.01778	0.5
179.03435	1.4
189.01862	22.1
190.02615	10.2
191.03020	0.7
194.02223	0.6
207.02931	6.9
208.03300	0.5
229.01418	1.1
229.04955	0.7
299.05615	26.7
300.05972	2.1
317.06665	51.9
317.15991	1.7
318.07089	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	317.103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28367	0.2
57.01510	0.2
59.01253	0.2
60.52672	0.1
78.75237	0.2
79.01761	0.2
80.02562	0.2
81.03298	0.3
107.01207	0.4
107.99152	0.4
108.02029	25.1
109.02846	4.4
119.01242	0.4
123.00801	0.3
123.04384	10.9
125.02282	0.3
129.68971	0.2
135.00713	0.4
136.80925	0.2
151.96277	0.7
152.01038	58.6
152.06458	0.4
153.01833	5.0
163.00270	7.5
164.00648	0.2
166.97807	1.1
167.03398	100.0
167.09680	0.7
168.03716	2.7
179.03462	0.2
180.24680	0.2
184.05321	0.3
184.39639	0.3
185.05969	1.9
229.05066	0.8
245.03651	0.2
256.91077	0.2
273.03226	0.6
287.09119	0.3
292.29028	0.2
317.02979	0.4
317.10330	1.5
317.13779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20900	3.0
54.55724	3.4
57.03329	4.4
59.01240	24.8
70.53545	3.2
71.01242	7.3
73.02821	4.0
85.02796	3.6
87.00723	4.4
91.73246	6.2
91.77497	3.7
93.03312	46.7
99.08018	4.1
111.04369	8.8
113.02329	4.4
114.22075	4.4
115.03888	13.6
116.07063	5.6
118.97939	13.9
121.06426	4.7
122.36414	4.7
125.03483	10.9
130.07813	4.8
130.08594	29.1
131.08952	8.2
137.02332	37.9
139.07594	12.0
143.03368	5.9
143.07039	25.5
149.09631	10.9
155.03461	4.9
173.04474	100.0
174.04851	4.9
179.10689	5.4
185.16466	8.2
186.16913	8.1
198.92119	4.0
201.07671	10.7
205.75519	4.5
215.10664	8.4
233.11794	11.3
236.53687	5.3
245.11830	14.7
251.12814	6.1
263.13028	5.4
263.34052	4.4
269.08133	6.8
281.13852	23.6
316.18738	8.0
317.11777	94.9
317.15973	29.8
317.19241	23.0
318.11887	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	317.1757
Annotation	1-Dehydro-[8]-gingerdione
Peak:m/z	Relative Intensity
52.46630	0.7
57.03124	0.4
57.03315	4.6
59.01234	0.9
59.13070	0.5
69.21221	0.5
91.73418	0.7
96.83215	0.5
99.07371	1.0
99.08012	14.5
100.08368	0.6
101.05941	14.1
106.04134	0.9
107.04887	26.0
109.02818	0.7
121.02777	0.5
125.05956	2.5
130.04120	1.9
131.04846	1.4
149.05966	24.0
151.03888	6.5
172.05174	1.9
173.05875	0.9
173.09624	1.2
174.03160	1.6
174.97641	0.6
175.03955	3.0
183.13821	27.1
189.12741	0.7
191.10631	0.8
199.07576	1.2
199.11253	0.7
202.06300	0.7
215.10716	17.7
216.11125	1.3
217.05214	0.8
217.08665	16.9
233.11809	13.2
241.08546	0.7
256.10995	0.8
259.09808	2.3
273.18570	1.2
297.35666	0.7
299.16519	2.2
317.17584	100.0
318.17920	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	317.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12486	0.3
54.76018	0.4
59.00097	0.4
59.01243	22.3
60.93299	0.4
71.01239	0.4
71.20607	1.2
71.49889	0.4
72.99163	0.6
83.04832	0.7
93.03281	1.6
93.70510	0.5
94.75069	0.5
97.06418	1.7
97.50526	0.5
99.07987	1.2
99.52393	0.5
107.81798	0.5
109.06404	0.5
111.07970	0.8
111.82717	0.4
113.09571	3.0
125.03442	0.6
125.09541	0.5
127.11104	1.4
137.02277	1.9
141.12672	0.5
152.66232	0.5
168.05574	0.5
178.18523	0.4
193.15836	0.5
194.17836	0.4
199.13332	0.6
209.19052	0.8
211.17014	0.5
237.14934	1.1
237.18578	3.1
239.16489	3.3
248.23621	0.5
255.19646	25.5
256.19952	1.8
257.12057	2.6
257.17578	80.8
258.17975	4.9
281.17548	1.0
296.38541	0.5
299.18628	8.7
300.19061	0.7
311.09259	0.5
317.19699	100.0
318.19989	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	317.1969
Annotation	oscr#16
Peak:m/z	Relative Intensity
53.29590	0.3
57.03316	1.6
58.00459	0.5
58.99279	0.3
59.01249	2.2
65.03824	9.4
66.04150	0.3
69.03310	2.3
69.67205	0.3
71.01240	4.3
71.04886	2.9
72.01991	0.3
72.99166	9.3
73.02798	1.4
81.03308	4.6
83.04877	8.6
85.02798	3.8
87.00732	1.5
87.04358	0.9
91.72716	0.6
93.03306	1.0
97.02815	1.7
99.04382	6.2
101.05932	1.3
108.74525	0.3
109.02806	0.6
110.03587	0.8
111.04360	0.8
111.15005	0.4
113.02309	0.6
115.03870	1.0
117.05447	5.3
125.03472	0.7
127.03875	4.0
131.03369	0.5
134.06001	0.5
137.02344	1.7
141.12677	1.8
145.04942	8.0
146.48064	0.4
155.14246	0.8
169.12238	2.0
171.13803	6.4
183.13771	0.8
185.15366	1.5
199.13445	0.5
201.14905	6.7
213.14932	0.7
215.16454	2.8
223.17068	0.7
225.18521	0.7
235.17056	1.3
237.18558	1.0
269.62665	0.4
271.19327	0.6
299.18747	3.2
317.19699	100.0
317.34348	1.0
318.20053	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	317.2121
Annotation	(+)-Phomactin G
Peak:m/z	Relative Intensity
52.65307	0.2
59.44543	0.3
63.64578	0.4
73.49516	0.8
73.49962	0.5
83.72191	0.2
92.02494	1.6
106.03404	0.5
106.04099	9.1
107.04295	0.3
107.04904	0.4
108.01982	0.8
110.25245	0.2
119.04888	12.9
120.05174	0.4
121.02016	0.4
121.02812	5.7
121.15384	0.2
132.64656	0.3
133.05489	0.4
133.06461	6.0
134.06815	0.4
137.02286	0.4
147.07979	0.3
154.31828	0.2
161.09566	1.0
175.11172	1.0
208.82571	0.5
209.03271	0.3
237.78027	0.5
237.80579	0.3
273.22247	100.0
274.19617	0.5
274.22595	9.4
317.21219	67.1
318.21561	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	317.2121
Annotation	CAY10410
Peak:m/z	Relative Intensity
56.69502	0.3
59.01240	5.5
61.28500	0.3
68.77295	0.3
71.01237	0.8
80.02528	0.6
83.04873	0.5
93.03320	1.4
106.04064	0.5
107.04897	0.4
107.08447	0.4
112.44022	0.4
113.02309	0.6
117.28645	0.4
119.04868	0.7
123.08065	0.9
125.03403	0.6
131.26118	0.5
133.06480	0.4
133.08617	0.4
137.02325	2.4
139.03978	0.4
141.09111	2.5
141.51094	0.4
148.08800	1.8
149.09534	0.6
151.11198	0.8
163.11192	4.9
165.12758	10.2
167.97833	0.5
191.14317	5.6
216.30315	0.4
217.15921	0.5
245.19066	2.4
272.94748	0.7
273.22256	13.2
274.22577	1.0
299.20227	1.1
303.85040	0.5
317.14185	3.1
317.21231	100.0
318.21603	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	317.2486
Annotation	(plusmn)-CP 47,497
Peak:m/z	Relative Intensity
53.36499	0.2
53.44675	0.2
56.99075	0.2
59.01248	0.5
80.02539	0.2
81.03307	1.2
92.02529	0.4
93.03336	0.6
106.04118	0.8
107.04852	0.3
108.02032	6.6
112.02274	0.2
112.08321	0.2
119.04890	1.3
121.02828	1.7
122.03603	14.7
123.00747	0.2
124.01530	0.9
125.03454	0.5
135.04391	6.1
135.21167	0.2
136.01526	2.3
137.02333	1.3
149.05969	1.8
163.07552	0.2
164.75273	0.2
175.11197	0.3
177.09142	0.7
187.10895	0.2
191.10684	0.7
197.83823	0.2
233.15404	0.3
238.30252	0.2
245.15372	0.2
246.16206	0.3
247.17058	0.2
273.22202	1.0
299.23697	0.6
315.23413	0.3
316.60452	0.3
317.24854	100.0
317.40131	0.8
318.25186	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	317.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03833	0.6
93.03320	19.5
95.04879	2.5
107.03171	0.5
107.67628	0.5
110.37189	0.5
121.02821	30.2
122.03630	2.9
130.85776	0.5
132.05650	0.6
185.33897	0.6
223.20607	1.3
237.22354	0.7
299.23874	3.1
317.24869	100.0
318.25195	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	317.2487
Annotation	(plusmn)-CP 47,497
Peak:m/z	Relative Intensity
54.31964	0.2
59.01215	0.3
60.59639	0.2
61.43056	0.2
66.81147	0.2
73.49967	0.3
93.03313	0.3
106.04117	1.2
106.33994	0.2
108.02004	0.5
119.04890	3.2
121.02811	2.4
122.03606	16.6
124.01501	0.6
127.86922	0.5
133.06445	1.3
135.04398	9.0
136.01541	0.4
137.02339	2.0
149.05966	1.9
154.02603	1.5
175.11125	0.5
177.09094	0.7
181.40448	0.2
191.10667	0.8
208.73799	0.3
219.13882	0.4
246.16385	0.3
273.22260	24.5
274.22580	2.1
280.95215	0.3
311.25854	0.2
317.21194	16.6
317.24796	100.0
318.21564	1.4
318.25137	7.4
339.58539	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	8.3
59.01241	4.3
63.02262	1.3
65.00172	1.9
67.01742	0.9
68.45345	0.7
69.03310	1.3
71.01241	1.0
81.03312	2.2
83.01236	7.8
87.23242	0.6
93.03318	2.6
95.01231	1.2
95.04881	1.0
97.02808	1.6
101.02272	1.4
107.01246	3.3
107.04887	1.3
109.02815	7.4
111.04354	1.2
119.03371	0.8
121.02811	4.1
123.00723	2.6
124.01537	3.6
125.02316	62.1
126.02643	1.4
135.66748	0.6
137.02321	48.0
138.03130	19.1
139.03923	5.7
145.02829	1.3
147.00787	5.6
149.02271	1.7
151.00259	14.6
151.03954	1.3
152.01074	2.2
153.01833	10.0
153.05420	0.8
153.09157	0.8
154.21774	0.7
155.03384	1.4
159.04451	1.5
161.02351	1.3
162.03151	0.8
163.03873	1.1
164.01096	1.9
165.01836	22.0
165.03255	1.1
166.02621	28.0
167.03424	11.1
169.01346	1.9
170.02109	1.0
173.04308	0.6
173.05870	0.7
175.00279	24.7
175.03838	1.4
176.00861	1.3
177.01859	1.3
178.99783	13.9
179.03346	0.9
180.00130	0.7
181.01352	3.0
181.05002	5.1
183.75731	0.8
185.02379	1.6
187.03931	1.6
189.01888	0.9
189.05396	0.9
190.02640	1.2
191.03424	15.7
193.01357	100.0
194.01659	2.8
201.05605	1.2
205.05078	1.2
209.04549	1.0
213.05569	1.6
215.03450	8.5
217.05034	1.6
218.05746	1.8
229.05093	1.7
231.06790	1.2
233.04497	3.3
236.06937	0.9
239.03447	1.3
241.05106	1.1
257.04523	7.0
260.06870	2.1
275.05661	1.1
275.09082	0.7
275.23868	1.9
283.02505	1.2
301.03540	10.1
301.07147	2.4
302.03964	1.0
304.05896	1.9
319.04529	1.9
319.08218	18.2
319.14050	2.2
319.17661	0.8
319.22174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0458
Annotation	Hovenitin III
Peak:m/z	Relative Intensity
51.77407	1.5
55.01750	2.2
56.06102	1.5
57.03304	5.7
59.01243	15.6
62.94077	1.9
69.03320	4.6
71.01237	7.2
72.99178	3.2
73.02811	3.3
74.26104	1.7
81.03318	10.3
83.01238	8.3
85.02808	5.2
87.00748	2.8
93.03302	10.3
95.01253	8.9
96.95824	2.6
97.02798	7.0
99.00738	23.4
99.04396	4.0
101.02336	2.6
109.02824	19.6
111.00746	14.1
111.04385	2.4
113.02335	7.6
114.81031	2.2
115.03878	2.9
119.04901	6.4
120.01932	2.2
120.99562	2.0
121.02829	13.6
123.00738	31.2
123.04369	4.8
123.81336	2.3
124.01453	2.5
125.02313	100.0
125.05927	2.2
127.00230	11.0
129.05437	2.5
130.04187	2.3
131.04944	2.5
135.04488	4.0
136.98691	3.1
137.02319	33.8
138.03099	3.9
139.00285	12.3
139.03819	5.4
140.01024	4.8
141.01817	84.4
143.04922	4.4
145.02849	10.5
145.04933	4.5
146.03712	2.3
147.00851	2.4
147.04404	4.2
149.02324	14.1
150.03059	4.3
151.00238	15.9
151.03870	3.1
153.01820	83.6
154.02541	6.7
155.07011	3.4
158.31044	2.4
159.04385	4.1
161.02335	11.5
161.05978	4.4
163.03900	4.7
164.01054	3.1
165.01837	26.1
166.02615	2.9
167.03424	18.4
167.04695	3.5
173.02306	6.4
175.03909	3.3
176.11862	2.2
177.01851	91.3
177.05415	3.0
178.02301	3.1
178.99831	3.7
179.03517	3.2
180.00549	7.3
181.01317	6.1
182.02141	5.2
183.04359	2.8
185.05917	3.9
187.03946	11.5
188.04710	2.3
189.01811	9.8
189.05505	3.8
190.02634	6.4
191.03412	48.8
193.01357	42.5
201.05428	2.8
203.03339	3.0
203.07066	8.6
205.04982	6.3
211.03984	5.2
213.01807	2.5
213.05518	3.8
214.02634	3.2
215.03500	11.4
217.01372	47.0
218.01978	4.7
219.03017	11.9
225.84113	2.3
227.03555	4.5
229.05052	9.4
231.02917	7.5
233.04503	23.6
239.03375	3.7
241.01534	2.7
247.06265	10.9
251.05566	4.8
255.02940	4.0
257.04581	13.0
258.01776	14.0
273.04086	9.4
275.05637	25.2
275.23776	11.9
301.03577	23.8
301.12970	6.3
302.04016	2.4
319.04617	49.3
319.08340	4.5
319.14011	44.0
319.22812	9.1
320.05096	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	319.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03079	0.7
57.03315	9.4
57.04506	0.6
59.01231	4.6
63.02232	1.0
65.00162	2.6
67.44765	0.6
69.03309	0.8
71.01237	1.1
81.03297	2.8
81.75465	0.6
82.85387	0.6
83.01240	7.7
89.02307	0.7
93.03316	2.1
95.01245	2.2
95.04872	1.1
97.02796	1.8
99.04346	1.1
101.02300	1.4
107.01273	3.5
109.02807	8.1
111.04404	0.8
117.73660	0.7
119.01262	0.7
119.03383	0.8
119.04823	0.8
121.02799	4.0
123.00744	3.1
123.04376	1.2
124.01517	3.6
125.02312	59.0
126.02665	1.7
137.02318	52.3
138.03114	23.2
138.04172	0.9
139.03883	5.3
143.04852	0.8
145.02846	1.1
147.00775	5.1
149.02316	0.8
150.03137	0.7
151.00255	12.4
151.03850	1.7
152.00999	3.4
153.01817	8.5
153.05530	1.1
153.09097	0.7
155.03357	1.1
159.04369	1.1
161.02325	1.7
163.03947	1.0
164.01025	2.5
165.01837	23.0
166.02609	33.7
167.03397	11.2
169.01306	1.1
170.02055	1.4
175.00270	23.7
175.03870	1.5
176.00806	1.8
177.01912	1.3
178.99768	12.1
179.03346	1.9
181.01360	2.3
181.04942	6.1
185.02386	1.6
187.03938	1.9
189.05583	1.0
190.02666	1.3
191.03429	15.6
193.01349	100.0
194.01640	3.4
205.04962	2.0
209.04462	1.4
213.05435	0.9
215.03418	10.7
217.05048	1.7
218.05791	2.1
220.03766	1.3
229.05142	1.2
231.06860	0.8
233.04579	2.3
233.08147	1.2
236.06874	1.5
239.03397	1.5
241.04924	0.9
251.09073	0.6
257.04587	7.8
260.06924	4.6
275.23886	5.1
283.02499	1.3
286.04889	1.1
301.03564	8.5
301.07169	2.6
304.05945	2.8
319.04828	1.1
319.08240	23.0
319.14053	2.9
319.22461	0.8
320.08691	0.8
321.48965	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0459
Annotation	Hovenitin III
Peak:m/z	Relative Intensity
57.03315	8.8
58.60799	0.3
59.01249	1.7
62.09793	0.3
63.02261	1.1
65.00177	2.7
65.03814	0.4
68.99648	0.4
70.02811	0.3
70.44282	0.3
71.01238	0.5
72.00768	0.4
72.99162	0.8
74.02327	0.6
81.03319	1.1
83.01234	5.2
85.02797	0.4
93.03309	1.3
94.66808	0.4
95.01257	1.2
99.00739	0.5
107.01237	3.9
107.04916	0.5
109.01580	3.5
109.02803	5.1
110.02345	3.8
111.04369	0.8
113.03504	0.3
114.01824	0.6
116.04890	1.9
119.01240	1.0
119.04891	0.7
121.02808	2.6
123.00734	2.2
123.04395	0.4
124.01515	2.7
124.98124	0.5
125.02314	52.5
125.06036	0.6
126.02628	1.5
130.03979	0.4
135.04431	1.1
137.02327	9.6
138.03053	0.7
139.03902	4.9
142.06442	0.6
145.02829	0.8
147.00768	5.2
147.04431	0.7
149.02321	1.1
149.06042	0.4
151.00253	13.2
152.01057	2.7
153.01836	8.3
155.03371	1.4
157.07562	0.6
159.04407	1.7
159.09126	0.6
161.02373	0.5
163.03860	0.7
165.01846	12.0
166.02658	2.1
167.03410	7.3
169.01334	1.2
173.02336	0.5
173.05904	0.4
175.00278	26.1
176.00890	1.8
177.01836	0.8
177.12424	0.4
178.99762	12.4
180.00270	0.5
181.01408	2.1
185.02330	1.2
185.06017	0.4
187.03873	1.5
189.05504	0.5
190.02647	0.9
191.03427	14.5
192.03757	0.8
193.01350	100.0
193.08643	1.0
194.01695	3.9
201.05490	0.6
203.08215	2.8
204.04108	0.6
205.05023	1.9
209.04535	0.5
213.05519	0.9
215.01541	0.6
215.03438	8.6
229.05031	1.4
233.04562	2.5
239.03490	1.0
257.04565	8.4
258.04840	0.5
259.15558	0.4
275.05588	0.9
275.23712	2.0
283.02438	1.3
283.07239	4.5
291.05136	0.5
301.03510	9.1
301.08243	1.0
302.03821	0.6
311.57837	0.4
319.04358	1.1
319.08789	0.5
319.13678	0.5
319.17496	0.8
319.22119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93701	0.1
60.49633	0.1
64.14474	0.5
74.00135	0.3
74.00515	0.3
83.62510	0.1
92.02537	2.3
95.01246	0.2
106.01366	0.2
106.04107	13.2
106.07172	0.2
107.04881	1.0
108.02004	0.6
119.04120	0.2
119.04897	2.8
121.02824	8.2
122.76871	0.2
133.06435	0.6
137.02284	0.5
137.03244	0.2
161.09554	0.2
175.11037	0.2
189.12708	0.2
239.74503	0.2
240.97305	0.2
275.23825	100.0
276.24170	0.3
319.22803	50.6
320.23398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38034	0.2
56.21717	0.2
57.02214	0.2
57.03314	10.7
59.01230	1.5
68.24786	0.2
69.03321	0.6
70.01176	0.2
73.02787	0.4
77.03795	0.4
79.01730	0.3
81.03311	1.2
83.01237	3.2
89.02309	0.4
93.03304	2.1
95.01238	1.3
95.04895	0.9
96.90479	0.3
97.02809	3.8
107.04892	0.4
108.02040	1.4
109.02815	3.4
111.00723	0.2
120.02038	2.0
121.02831	4.6
123.00748	0.7
123.04385	0.8
124.01538	4.5
124.98855	1.0
125.02312	100.0
125.06242	1.0
126.02624	1.8
127.03770	0.3
133.02808	2.3
134.03606	0.4
135.04364	1.2
136.01534	0.4
137.02322	11.3
138.03120	5.6
139.03897	4.3
140.04179	0.3
145.02878	0.4
147.04431	0.4
149.02339	1.8
150.03053	0.4
151.03870	0.7
153.05461	0.7
155.03278	0.3
159.04417	0.8
160.97220	0.3
161.02335	23.2
161.50241	0.3
162.03131	2.0
163.00290	1.6
164.01048	21.3
164.06891	0.4
165.01830	21.8
165.07721	0.3
166.02618	2.1
167.03355	1.2
173.02219	0.3
173.04561	0.4
173.05968	0.6
174.03114	0.5
175.03932	2.7
177.01865	2.1
177.05492	0.4
178.02640	0.4
179.03392	2.4
181.04973	0.8
183.02867	0.3
183.04414	0.5
189.05479	0.5
193.05067	0.4
196.03632	0.4
197.04465	9.4
199.03770	0.4
201.05481	1.1
203.03452	2.7
204.04182	0.3
215.07010	0.9
217.05046	2.3
218.05751	2.7
219.06458	0.6
220.03719	1.0
225.05580	0.6
228.04256	0.3
231.06581	0.6
233.08174	1.0
235.06058	1.6
236.06946	1.7
241.05009	0.4
242.05611	0.4
243.06616	2.0
244.03691	0.4
245.04504	0.6
251.09285	0.5
257.30994	0.2
259.05957	0.4
260.06921	4.2
261.07214	0.4
269.04608	1.3
271.09644	0.3
275.09238	3.0
275.23764	1.2
286.40955	0.3
287.05606	6.1
288.05920	0.3
301.07092	0.4
319.08231	20.1
319.14001	0.5
319.17563	0.6
319.22726	0.5
320.08710	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0825
Annotation	4'-O-Methylgallocatechin
Peak:m/z	Relative Intensity
50.69633	0.7
57.03323	4.1
57.03546	0.8
59.01247	6.1
64.12014	0.7
67.01742	1.0
68.82871	0.8
69.03283	1.3
70.71046	0.7
71.01253	2.4
73.02789	2.1
81.03309	4.3
83.01233	5.6
87.00719	1.1
91.72633	0.8
93.03322	2.9
95.01228	1.2
95.04884	4.3
96.95848	0.8
97.02814	11.0
101.02270	0.8
108.02016	1.4
109.02815	18.9
111.00753	2.8
113.02365	1.0
121.02832	3.2
123.00791	1.9
123.04370	2.2
124.01530	21.5
125.02314	30.6
127.07512	3.8
133.02849	1.8
135.04425	1.1
136.01616	1.2
137.02321	31.5
138.03111	25.9
139.03894	18.6
149.02318	2.0
151.03891	5.1
153.01830	13.3
153.05463	2.3
157.08554	1.2
159.04375	2.8
161.02328	3.7
162.03122	1.3
163.00269	7.6
163.03833	1.2
164.01047	11.0
165.01825	11.3
166.02592	12.0
167.03352	3.7
170.02124	1.7
173.05937	1.3
173.69905	0.8
175.03903	8.8
176.04665	1.4
177.01897	4.7
178.02663	1.2
179.03406	11.7
180.04002	1.0
181.04980	6.7
187.09709	8.4
189.05510	2.8
190.06219	0.9
191.03502	1.2
192.04266	1.1
198.77205	1.0
199.03818	1.7
201.05434	2.0
203.03546	6.2
204.04137	1.2
211.04012	0.9
212.04561	1.0
213.05470	3.2
215.07106	1.7
217.05035	10.9
218.05804	12.6
220.03699	4.5
231.06613	3.2
232.07300	1.5
233.04457	1.2
233.08182	4.5
235.06064	5.9
236.06900	10.4
241.05069	8.1
243.06583	3.6
247.02475	13.3
251.09195	1.1
256.07434	4.4
259.06171	1.6
260.06918	23.0
271.09790	7.1
273.04095	5.4
275.02115	1.1
275.05798	2.0
275.09268	10.1
275.11560	2.8
275.23840	4.2
277.07181	1.1
301.03726	1.7
301.07220	1.2
319.08234	100.0
319.14188	3.3
319.22968	2.3
320.08545	4.7
320.18564	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71360	0.5
59.01249	3.9
62.09718	0.9
63.85227	1.5
63.85516	0.8
65.85539	0.8
67.01778	0.5
84.52376	0.7
87.00743	0.7
93.03297	0.9
96.95874	2.1
108.02068	0.7
109.02814	7.6
111.00745	0.7
133.02792	1.4
134.03583	1.4
135.04375	1.4
136.01508	2.2
137.02303	1.2
145.08612	1.5
147.04404	0.9
149.05984	0.6
151.03873	1.4
152.01033	1.0
153.01822	4.3
159.04414	1.4
162.42307	0.8
169.06471	1.0
171.04433	0.8
177.01881	0.8
185.06004	5.8
187.03940	1.3
191.27280	0.6
195.04399	4.3
196.05263	1.3
197.05960	2.0
199.03922	0.9
211.04015	1.1
212.04730	3.7
213.05524	31.2
214.05899	1.3
215.97993	0.8
223.03987	4.9
223.72539	0.8
224.04750	3.8
231.10356	0.8
239.03395	1.1
240.04298	2.4
241.05040	89.2
242.05400	4.4
247.02364	3.4
256.07404	54.8
257.04343	0.7
257.07782	2.2
259.78754	0.9
271.09769	100.0
272.10086	5.0
275.23773	3.9
301.03680	1.2
319.04852	0.8
319.08209	1.4
319.14197	2.2
319.22672	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	319.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33627	1.4
56.76004	1.6
59.01233	6.2
62.17233	1.7
70.27750	1.9
72.85484	1.6
81.21590	2.1
81.81570	1.8
82.16695	2.4
84.91328	2.1
88.29848	1.7
93.17287	2.0
97.22701	2.2
99.08024	1.9
106.04120	5.5
107.04863	2.1
119.04921	5.1
121.02838	10.2
145.02773	2.7
147.04446	3.7
163.03946	2.6
207.06541	2.6
213.05513	2.1
221.16260	2.3
275.23834	100.0
276.24142	3.1
313.79971	2.2
319.11932	16.6
319.15451	7.1
319.18948	4.6
319.19647	1.9
319.22748	49.8
320.23062	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1398
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
51.33966	1.2
51.57886	1.1
55.01741	3.6
57.03309	7.7
59.00249	1.4
59.01241	54.8
69.03339	2.2
71.01237	50.2
72.23191	1.4
72.99167	4.8
73.02804	24.8
75.00729	4.0
76.05547	1.4
81.03318	2.1
83.01239	14.5
83.04877	3.3
85.02807	28.1
85.99953	2.0
87.00719	4.0
89.02292	6.6
93.03314	2.7
95.01242	3.0
97.02818	2.9
98.06610	1.6
99.00750	7.9
99.05550	1.7
101.02300	57.0
106.04116	2.1
107.36436	1.4
111.00758	2.7
111.07983	1.6
112.09581	1.6
113.02302	22.1
113.05907	1.6
115.03912	1.8
115.08634	1.6
119.03371	3.8
119.04874	2.4
120.99531	3.7
121.02828	21.6
125.02323	4.0
125.09610	1.6
129.01779	2.1
130.08604	2.9
131.01541	1.7
137.02345	2.8
139.07558	2.2
143.03387	3.2
145.02841	3.8
145.04990	1.9
153.01947	1.8
159.02933	3.0
161.04417	14.5
164.07094	2.0
171.10172	1.6
172.10867	1.9
173.04465	4.4
173.08189	3.8
178.04990	1.6
197.08121	2.4
210.56979	1.6
213.05461	2.5
241.05093	6.2
256.07370	2.8
258.01227	1.7
259.15582	3.4
271.09830	5.7
275.15036	12.5
275.20844	1.9
275.23767	24.3
283.15598	5.3
293.47357	2.0
301.16623	1.6
319.08841	8.3
319.13998	100.0
319.17554	10.7
319.22647	15.8
320.14404	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1914
Annotation	ent-17-Nor-3,8-dioxo-13Z-labden-15-oic acid
Peak:m/z	Relative Intensity
54.45816	0.3
55.44174	0.3
59.01195	0.8
62.47857	0.3
64.13586	0.4
68.18417	0.4
73.99173	1.0
73.99633	0.9
91.69295	0.3
92.02525	2.1
106.04102	10.2
107.04832	1.5
108.01955	1.0
115.84097	0.4
119.04903	3.6
121.02824	9.8
133.06366	0.7
137.02293	0.6
145.02814	0.6
175.11111	0.5
203.14207	0.6
219.17453	0.7
231.17513	0.4
239.70828	0.4
245.19093	2.7
247.20667	16.7
248.21094	0.8
257.19089	1.9
273.18655	5.3
275.20212	100.0
275.23715	13.1
276.20538	7.1
276.23941	0.9
319.19205	93.4
319.22794	13.9
320.19507	8.5
320.22958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2278
Annotation	6-Oxocativic acid
Peak:m/z	Relative Intensity
59.01210	0.6
59.93716	0.2
64.14469	0.4
67.12302	0.2
71.20410	0.2
74.00144	0.3
74.00510	0.2
81.82880	0.1
91.61400	0.1
92.02526	1.8
95.01224	0.2
106.04101	7.5
107.04938	0.7
108.02016	0.6
109.02777	0.2
119.01180	0.1
119.04886	2.3
120.02026	0.2
121.02817	7.1
122.03058	0.3
133.06454	0.4
136.01503	0.2
137.02267	0.3
145.02788	0.3
204.06998	0.2
239.74646	0.2
250.16129	0.2
275.11356	0.8
275.23819	100.0
276.24149	8.0
276.27274	0.2
319.07455	0.4
319.22791	46.4
320.23120	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28844	0.4
59.44370	0.4
61.98675	0.5
74.00153	1.0
74.00512	0.9
74.60876	0.5
82.78804	0.4
92.02522	2.3
96.95855	0.5
106.04100	8.1
107.04869	1.3
108.02046	0.9
113.43239	0.5
119.04889	3.5
121.02029	0.7
121.02821	11.3
137.02257	0.7
137.49007	0.5
171.06447	0.6
239.74400	0.7
275.23825	100.0
276.24115	5.6
319.22794	50.8
320.23175	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2279
Annotation	6-Oxocativic acid
Peak:m/z	Relative Intensity
50.87069	0.2
53.54062	0.2
59.01228	0.5
64.14484	0.5
69.03285	0.2
74.00137	0.7
74.00514	0.5
80.33120	0.2
92.02532	1.8
106.03394	0.4
106.04100	8.1
107.04865	1.1
108.01988	0.8
109.02796	0.4
117.33396	0.3
119.04881	3.0
121.02818	10.7
122.03123	0.4
133.06477	0.6
136.01483	0.4
137.02303	0.9
145.02754	0.3
167.68793	0.3
203.14330	0.3
239.74457	0.4
239.76668	0.3
247.20692	0.3
256.07980	0.2
260.76578	0.3
275.12415	0.9
275.23822	100.0
276.24152	6.4
276.27234	0.3
319.22787	51.6
320.23096	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	319.2279
Annotation	6-Oxocativic acid
Peak:m/z	Relative Intensity
53.88593	2.2
59.01230	7.2
63.83327	2.2
65.29443	2.3
71.01255	2.6
83.55643	2.2
106.04104	4.9
117.80253	2.5
119.04905	2.8
120.33049	2.8
120.57200	2.5
121.02817	13.2
147.04388	3.1
163.32524	2.8
221.15338	3.7
241.94495	3.3
249.14906	3.7
275.20724	6.1
275.23813	88.6
276.23987	3.7
301.21780	4.5
319.11838	5.4
319.19235	8.0
319.22775	100.0
320.23068	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	319.2278
Annotation	6-Oxocativic acid
Peak:m/z	Relative Intensity
50.90806	0.3
53.71765	0.3
55.41312	0.3
59.01224	0.6
62.55307	0.3
66.68764	0.3
73.40416	0.3
74.00131	1.0
74.00561	0.6
79.47240	0.3
82.05716	0.4
91.72705	0.6
92.02521	1.6
93.03285	0.4
100.72620	0.3
106.04095	7.9
107.04846	1.4
108.01984	1.1
111.19394	0.3
119.04891	3.1
121.02819	11.6
122.76332	0.4
132.80418	0.4
133.06436	0.5
137.02266	0.4
145.02809	0.6
154.04346	0.4
185.24382	0.3
210.71429	0.4
239.21623	0.4
239.74445	0.7
275.23822	100.0
276.24136	5.9
296.26584	0.4
319.22794	65.8
320.23163	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	319.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15475	0.3
51.45594	0.3
57.03318	3.1
59.01241	4.5
59.66228	0.3
69.19736	0.3
71.01227	1.0
74.00137	0.9
74.00519	0.5
83.04832	0.5
92.02528	1.1
93.03304	0.4
97.06422	0.9
99.88672	0.3
101.76034	0.4
103.85493	0.4
106.04106	3.8
107.04855	0.5
108.01997	0.4
108.87175	0.4
109.06404	0.5
113.05862	0.3
113.09581	15.3
119.04900	1.6
120.02214	0.4
121.01508	0.4
121.02835	5.2
131.01991	0.3
137.02377	0.5
138.81448	0.3
139.11156	3.9
145.02806	1.1
149.13199	0.8
161.13301	0.4
167.10637	0.4
175.11182	0.5
193.12230	1.3
203.14301	0.6
205.12260	1.4
221.15440	1.9
228.63470	0.4
241.97243	0.3
247.20680	1.9
275.20248	7.5
275.23804	45.9
276.20557	0.7
276.24088	3.0
301.21744	0.6
319.08401	0.9
319.19284	7.1
319.22766	100.0
320.19714	0.4
320.23114	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	319.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47812	0.2
54.09266	0.1
55.32900	0.1
59.93683	0.2
60.63459	0.2
64.14468	0.5
69.47530	0.2
74.00137	0.3
74.00517	0.3
78.57574	0.2
83.60658	0.2
92.01981	0.2
92.02533	2.7
93.31161	0.2
95.01258	0.2
106.04106	12.1
107.04945	1.0
108.02012	1.1
117.34798	0.2
119.04214	0.2
119.04903	2.5
120.01963	0.2
121.02822	11.1
122.03150	0.3
133.06435	0.7
136.01553	0.2
137.02310	0.7
139.11462	0.2
140.42485	0.2
168.84183	0.2
169.46170	0.2
175.11166	0.3
189.12688	0.3
190.42918	0.2
191.23248	0.2
239.74525	0.3
275.23822	100.0
275.36209	0.8
276.24155	6.8
319.22797	57.1
320.23135	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	319.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96474	0.6
55.30658	0.7
57.03320	1.1
59.01245	4.2
62.74948	0.7
65.21999	0.8
71.01244	1.5
71.55270	0.8
83.04868	2.5
95.51956	0.7
106.04127	1.4
121.02812	3.4
151.11127	1.2
167.14293	1.6
199.63101	0.9
211.13313	3.0
247.20656	1.1
251.48080	0.9
275.20642	1.2
275.23816	36.6
276.24170	2.4
301.21967	1.1
319.08221	1.6
319.22797	100.0
320.23117	5.0
337.06055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2642
Annotation	Pregnane-3,20-diol
Peak:m/z	Relative Intensity
59.01231	0.9
59.87903	0.4
60.58342	0.3
61.35065	0.4
61.35383	0.4
64.06999	0.4
64.14596	0.4
70.93864	0.5
71.94920	0.3
74.00536	1.3
74.00938	0.7
74.01136	0.5
85.06435	1.0
86.33287	0.6
92.02517	2.2
93.03275	0.4
106.04105	8.6
107.04883	1.1
108.02020	1.4
119.04894	4.9
121.02821	12.3
122.03116	0.4
133.06439	0.8
136.01555	0.5
137.02335	1.0
145.02823	1.1
161.44656	0.4
198.01401	0.4
233.19101	3.0
261.18573	4.2
275.23807	87.3
276.24155	6.0
301.25391	2.4
317.24863	26.5
318.25024	2.1
319.22742	58.1
319.26419	100.0
320.23087	4.1
320.26755	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	321.0615
Annotation	Leucodelphinidin
Peak:m/z	Relative Intensity
53.39880	0.3
55.57355	0.4
55.57631	0.4
57.03314	2.6
59.01228	2.3
63.02232	0.5
65.00182	2.7
65.03818	0.5
67.01735	1.1
68.99677	2.2
68.99993	0.4
69.03310	0.8
71.01228	2.3
71.04862	0.4
72.99183	0.5
73.02808	7.3
78.14137	0.4
81.03297	2.1
83.01241	10.1
83.04879	3.0
84.10936	0.4
85.02803	2.7
87.00728	0.5
87.04384	0.4
89.02326	0.6
93.03315	17.1
93.03911	0.9
95.01244	0.7
97.02793	1.0
99.00738	2.3
99.04382	2.1
101.02303	1.4
106.55759	0.3
107.01244	4.0
109.02808	3.5
111.00723	1.0
111.04375	7.3
113.02316	0.7
119.06887	0.4
121.02795	1.4
123.00751	3.6
124.01539	4.4
125.02312	14.1
126.02690	0.6
127.04964	0.6
128.03409	13.0
128.07036	0.6
129.01804	1.6
129.05397	0.6
137.02322	6.3
138.03122	0.8
138.91737	0.4
139.03900	6.9
141.01759	0.4
141.05458	1.0
143.03375	1.2
147.02879	0.5
147.06502	1.8
148.99066	0.6
149.02361	1.2
149.15300	0.3
149.31769	0.4
151.00255	15.8
152.96625	1.1
153.01820	100.0
154.02119	1.8
155.03384	4.0
159.02858	0.7
159.06516	2.1
165.01779	0.6
166.02628	2.0
167.03395	24.3
169.01314	0.4
173.04457	34.9
174.04810	0.5
174.92305	0.4
175.02351	0.6
177.01833	1.3
183.02924	2.0
195.02940	1.7
225.93025	0.4
233.08493	0.8
299.63678	0.5
301.44400	0.4
321.06189	0.5
321.11966	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	321.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10221	1.7
57.03329	3.2
59.01242	14.1
59.01457	1.2
63.75720	1.4
65.00188	2.0
67.01767	5.2
68.99693	2.1
69.03329	5.0
71.01263	7.7
72.99191	3.0
73.02823	2.8
74.98954	2.5
75.00742	2.3
77.03817	1.6
81.03301	16.1
83.01240	9.3
83.04914	4.4
85.02806	41.0
87.00758	2.7
89.02333	1.9
93.03339	9.0
95.01257	8.5
95.04902	4.3
96.95890	3.5
96.99197	3.8
97.02800	10.5
97.06454	3.4
99.00764	5.6
99.04408	2.8
99.08057	3.9
101.02333	2.0
105.03344	2.4
105.58856	1.9
107.01273	1.7
108.02074	7.8
108.73571	1.6
109.02814	82.0
109.77563	1.5
110.00001	4.9
111.00735	53.1
111.01464	3.2
112.01098	2.5
113.02324	6.3
113.05961	2.7
115.00251	2.3
115.03905	6.6
119.04910	2.6
120.99592	2.1
121.02820	18.5
122.03624	5.4
123.00768	14.2
123.04394	18.9
124.01543	4.8
125.02316	56.2
127.00289	3.7
127.03896	4.3
129.01784	1.7
133.02850	2.9
133.06517	2.0
135.04340	9.1
136.99046	2.2
137.02318	29.4
137.03210	2.5
137.06046	1.9
139.00250	25.9
139.01149	1.8
139.03882	9.1
140.01045	3.0
141.01796	23.6
143.07065	3.5
145.06541	3.5
145.08687	5.6
146.03667	4.1
147.04433	5.1
149.02327	63.0
149.06027	1.9
150.03142	11.4
151.00272	2.6
151.03914	11.7
152.01102	4.9
153.01825	100.0
153.09169	3.4
154.02364	2.8
154.99739	9.1
158.03557	2.5
159.04437	6.9
161.02350	9.9
161.05978	8.4
163.03886	9.5
165.01826	14.1
165.05534	2.2
166.02640	3.0
167.03416	9.6
169.06621	2.3
171.04546	3.2
172.05257	5.2
173.02264	2.0
173.06049	5.3
174.03235	5.3
175.03941	14.0
176.01085	3.4
177.01855	9.5
177.05508	2.8
179.03435	6.6
181.01404	3.9
181.05040	4.8
181.19131	1.7
183.02934	3.0
185.06081	3.2
187.04016	5.3
187.07671	2.9
188.04742	4.1
189.01973	4.1
189.05510	12.8
191.03539	5.2
193.01466	4.3
193.05148	1.7
194.02170	3.4
195.02988	5.3
197.06123	5.4
199.04015	7.2
200.04755	3.0
201.05589	2.9
203.03578	2.4
205.05052	9.0
206.08299	1.9
212.04842	2.0
213.05661	6.9
215.03418	3.9
215.06982	3.2
216.04333	4.8
217.04993	24.8
217.06821	2.6
217.10869	7.1
218.05833	3.5
229.05005	2.2
231.03075	4.3
231.06671	5.9
233.04672	6.6
233.08250	2.3
235.06250	4.9
241.05038	9.2
243.02979	2.7
243.12405	2.2
249.07597	2.0
257.04501	3.1
259.06119	11.5
261.13370	2.0
275.05713	7.5
276.24432	2.2
277.03732	3.6
277.07178	4.4
285.04004	8.1
303.05078	14.9
303.14554	12.2
304.05319	2.9
321.06238	42.6
321.11908	5.4
321.15601	46.6
321.19232	3.5
322.06448	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	321.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59629	0.2
59.01219	0.3
60.09398	0.2
63.59525	0.2
67.34808	0.2
67.49178	0.2
70.56126	0.4
70.56480	0.2
72.19554	0.2
74.60081	0.3
75.76823	0.2
78.35616	0.3
89.77882	0.2
93.03302	0.4
99.07987	0.8
101.76884	0.2
120.78722	0.2
129.09077	0.4
133.02786	0.2
135.04352	0.5
137.05904	0.3
149.05969	1.7
156.02063	0.3
157.02847	0.4
165.08994	0.2
167.05038	0.2
181.40004	0.2
192.07886	0.3
193.06509	5.3
194.07133	0.6
195.04411	0.6
203.14398	0.3
206.07321	1.9
208.05222	0.3
218.06024	0.2
221.06041	16.5
222.06726	4.2
223.07082	0.3
224.04579	0.3
231.13893	1.0
233.05975	0.6
249.05566	5.7
249.14943	0.6
249.95566	0.5
250.06335	56.5
251.06696	3.2
251.60506	0.2
252.04272	0.4
259.13589	0.3
261.05453	0.3
276.23978	0.3
277.05087	2.2
277.14551	0.2
278.05835	46.9
279.06213	3.1
293.08200	10.9
294.08527	0.8
305.04654	0.4
306.05344	46.4
307.05658	3.0
320.91809	0.8
321.07684	100.0
321.12991	4.8
322.08041	7.8
322.13678	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30653	0.6
54.54899	0.5
57.03302	2.0
59.01244	3.5
65.03818	0.7
66.36061	0.7
69.03312	2.2
71.01235	5.4
71.04882	0.7
72.99158	3.1
73.02803	21.1
74.37058	0.8
75.00725	1.1
77.09772	0.6
78.95749	5.8
81.03304	1.7
83.01234	1.5
83.04877	7.4
85.02799	12.1
87.00732	21.5
89.02291	0.9
93.03315	41.4
95.01189	1.5
96.96833	5.1
97.02806	4.8
99.00735	7.3
99.04379	5.4
101.02300	2.3
103.03864	2.3
109.02817	1.2
110.98387	1.0
111.00736	2.0
111.04380	19.8
113.02325	3.5
115.00228	4.1
118.98502	0.7
127.04978	1.3
128.03404	17.7
128.07065	4.8
129.01817	4.1
129.03807	0.7
130.83508	0.6
133.01291	1.6
135.02870	1.1
137.02315	13.2
141.01793	1.3
142.04982	2.8
143.03406	3.2
147.02858	2.5
147.06494	2.6
155.03395	8.7
157.01271	1.8
159.02832	1.1
171.02911	0.9
172.98428	1.2
173.04457	100.0
174.04797	3.0
175.02393	12.2
191.05553	6.9
217.03458	3.5
231.04938	0.9
303.07095	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1708
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
57.03318	1.1
59.01244	2.6
62.10085	0.3
65.03825	1.5
71.04876	1.3
73.02794	0.8
79.05429	0.8
80.44563	0.4
83.04883	1.3
83.34377	0.4
92.58645	0.4
93.03316	7.8
95.04851	0.4
107.04888	54.6
108.02105	0.8
108.05238	1.8
109.02824	1.1
111.04400	1.3
117.79966	0.4
119.04893	9.9
120.05233	0.4
121.02818	5.2
128.03404	1.4
135.04485	0.4
137.02316	0.8
137.09662	0.4
143.04877	1.1
145.06516	0.4
149.05951	1.2
155.03387	0.6
155.10658	1.5
157.12201	4.1
161.06001	4.0
169.12231	0.9
173.04436	2.3
231.13992	0.9
233.15395	0.6
248.37492	0.6
249.14987	0.6
259.14206	0.7
259.16989	5.0
263.09189	1.3
267.20862	0.4
275.16541	0.9
276.24280	0.8
277.18097	20.1
277.24600	0.6
278.18307	1.3
305.25720	0.5
321.13693	5.5
321.17062	100.0
322.17410	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68417	1.7
52.20750	1.6
54.92186	1.8
59.01245	10.9
70.96846	1.7
71.01209	2.0
73.02802	2.8
93.03310	4.9
94.00222	2.1
100.31716	1.8
128.03429	3.2
141.01596	2.4
148.54335	2.0
149.05943	4.1
173.04509	9.4
219.13829	3.1
243.82539	2.0
277.18201	2.3
277.69421	2.2
285.20728	100.0
286.21198	3.2
321.13385	13.7
321.17078	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2071
Annotation	3alpha-Hydroxyayapanonic acid
Peak:m/z	Relative Intensity
55.99909	0.3
59.01237	1.8
69.05079	0.6
71.01234	0.4
74.21697	0.7
74.49812	1.4
78.99355	0.3
79.95614	0.5
85.65324	0.4
86.81002	0.4
92.02525	1.0
93.03287	0.9
106.04108	4.7
107.04921	0.8
108.02032	0.9
119.04876	2.7
121.02814	5.9
123.00706	0.5
128.03400	0.6
133.06500	0.6
137.02292	0.7
173.04482	0.7
184.55042	0.4
187.29622	0.4
240.03363	0.6
245.19159	0.8
247.20665	7.4
259.20673	4.4
273.18677	1.2
275.20184	48.5
276.20520	3.6
277.21738	89.6
278.22122	5.9
321.20721	100.0
322.21130	7.6
323.73428	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2436
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
54.23761	0.5
57.03309	1.3
59.01025	0.6
59.01245	7.0
62.23944	0.6
63.60576	0.6
71.01230	1.6
83.04890	0.9
97.06454	1.1
99.08007	1.4
110.64972	0.7
113.09605	5.9
129.83612	0.6
145.49434	0.8
149.05933	1.5
158.65634	0.7
195.13806	0.9
198.12575	0.7
221.15422	13.8
231.13890	1.3
259.24435	1.5
277.25174	0.7
303.23276	15.6
304.23645	1.0
321.13724	5.0
321.24377	100.0
322.13870	0.7
322.24710	7.5
336.41931	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2435
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
57.03302	1.9
59.01242	3.8
69.03315	0.5
71.01224	1.1
71.04877	5.0
73.39053	0.4
85.06432	2.7
87.04379	1.1
93.03333	0.7
115.03860	1.7
128.03427	1.1
169.34184	0.5
173.04488	2.2
222.15927	0.5
247.20691	0.6
277.24396	1.3
303.23221	3.5
319.22736	1.4
321.24356	100.0
322.24777	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	322.0934
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
52.73314	0.7
55.20446	0.7
56.00071	0.7
58.00468	1.7
59.00015	2.0
59.01245	100.0
59.02351	1.8
71.01242	50.8
71.02706	1.1
72.01554	1.0
72.99178	3.3
73.02851	1.1
75.06319	0.9
83.01255	3.1
85.02802	9.8
87.00746	1.8
88.03896	1.6
89.00043	0.9
89.02301	61.2
90.02618	1.1
95.01267	3.6
101.02306	32.6
105.13728	0.9
113.02308	23.4
116.04931	38.1
119.03368	24.7
121.57346	0.8
125.02374	1.2
126.77457	0.8
128.03389	1.3
131.03438	2.0
143.03403	3.7
144.04478	1.3
146.06053	1.0
149.04416	1.8
154.15955	0.9
159.20808	1.0
160.03941	68.8
161.04382	3.8
168.13860	0.9
179.04153	0.9
179.05539	5.3
180.38684	1.2
181.33090	0.8
185.65459	0.9
192.51260	0.9
202.03128	2.0
202.05037	35.8
203.05360	1.0
214.31786	1.0
232.06136	6.3
246.61588	0.9
257.95593	1.1
262.07233	48.3
263.07614	3.1
322.09354	68.4
322.13049	2.8
323.09689	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	323.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00233	0.3
51.56735	0.2
57.68143	0.4
59.01225	0.7
60.39245	0.3
65.99703	0.4
66.48392	0.3
68.01268	3.2
70.02837	4.9
70.19141	0.3
71.01234	0.3
72.00768	0.4
81.95147	0.3
82.99997	0.3
84.00761	1.2
86.02332	3.4
96.00768	0.6
96.95850	2.3
96.96818	0.4
99.00740	6.0
101.02294	0.4
112.00247	0.4
113.98552	1.1
114.01833	100.0
115.02203	1.7
121.05180	0.4
122.05993	0.6
124.00267	7.0
129.01752	0.3
136.03973	0.3
139.01180	0.3
145.07614	0.5
147.05484	0.9
148.03920	0.4
150.05484	0.8
156.02931	0.4
159.05502	0.7
161.07115	0.5
163.05055	0.5
164.03455	0.3
174.03990	35.8
175.04338	0.9
189.06616	0.5
190.18576	0.3
201.06500	0.4
213.66644	0.3
215.60069	0.3
217.06059	0.3
224.65808	0.3
259.91202	0.3
263.06738	11.7
264.07123	0.4
320.40579	0.4
323.08859	53.4
324.09109	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	323.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46964	0.2
54.91949	0.2
57.54066	0.3
58.99893	0.8
59.00225	1.1
59.01243	100.0
59.02408	2.1
59.84373	0.2
60.01579	0.7
67.01752	0.3
71.01238	0.4
81.03351	0.5
93.03311	0.3
94.41128	0.2
107.04871	0.3
108.02009	0.5
109.02818	0.5
111.39250	0.3
121.02846	0.9
121.06445	0.6
123.08021	0.5
133.06465	0.8
135.04413	0.3
140.11955	0.3
148.05191	1.8
149.05957	4.2
151.07594	0.3
160.05206	0.7
161.05969	1.8
176.04721	0.7
189.05470	2.1
189.12756	0.5
191.10732	0.4
202.06265	0.4
207.08171	0.3
215.10721	0.5
217.12328	1.5
223.07605	1.1
227.47221	0.4
230.09460	0.6
233.11807	12.4
234.12152	0.4
237.05516	0.5
237.28291	0.3
244.43674	0.3
245.11818	20.1
246.12158	1.1
249.05495	0.4
250.06316	1.0
251.07123	3.4
263.12958	1.2
265.05017	0.4
278.05920	1.1
279.06573	1.7
280.07458	4.0
293.08182	0.9
295.06134	0.6
295.09717	0.8
307.06171	0.3
308.06949	4.4
309.07352	0.3
323.05679	1.3
323.09253	13.2
323.13565	0.4
323.18381	0.8
324.09503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54740	0.2
56.91965	0.2
59.00023	1.9
59.01242	100.0
59.02285	1.3
59.02621	0.7
60.01569	1.1
65.03755	0.2
65.45786	0.2
70.45411	0.2
71.01239	2.0
73.02831	0.7
83.01239	0.5
83.14336	0.2
85.02792	1.1
87.00755	0.3
89.02307	0.5
91.73048	0.3
99.00738	0.5
101.02293	2.3
113.02306	1.0
117.10512	0.2
124.99680	0.2
129.01860	0.4
159.02980	0.3
161.04501	0.9
173.04611	0.2
175.02504	0.3
207.25314	0.2
263.15027	4.0
302.39502	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	323.1864
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
57.75427	1.3
59.01239	9.3
70.47710	1.1
71.01228	5.1
85.02788	1.8
89.02310	2.6
96.95857	9.3
101.02357	1.8
106.04116	2.7
107.04862	1.5
108.02029	2.9
113.02325	2.8
117.75650	1.2
119.04891	34.7
120.05206	1.6
121.02827	6.6
133.06520	6.8
147.08040	1.7
150.03104	26.6
152.01022	3.6
152.02269	1.5
153.01872	1.5
161.04451	2.1
161.09607	2.0
163.03906	63.1
164.04225	2.4
165.09109	1.9
170.82756	1.3
175.11172	8.5
176.22363	1.3
177.05472	16.0
182.02118	21.9
189.12743	19.3
191.07089	5.8
203.14413	5.1
205.08678	5.3
217.15976	5.3
219.10239	8.4
231.17432	4.0
233.11800	21.3
233.19078	5.7
247.13408	3.0
252.09831	1.7
261.15210	2.1
261.18607	45.3
261.21841	2.4
262.18936	2.6
265.14755	10.2
275.16644	2.0
279.19608	2.3
305.17606	20.8
305.21249	100.0
306.18237	1.9
306.21545	6.4
308.16263	24.5
323.09787	4.7
323.18576	45.2
323.22348	18.9
324.18881	4.3
325.40530	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1864
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
50.54222	0.5
54.08839	0.5
57.03302	1.4
57.83264	0.4
59.01242	6.9
67.33739	0.4
71.01223	2.2
71.04876	1.6
71.07559	0.6
73.02778	1.0
74.99539	0.9
78.95766	0.6
83.04867	1.4
85.02817	0.8
85.06457	1.0
87.00729	0.5
89.02287	1.6
93.03316	1.9
95.04874	2.4
101.02307	1.8
107.04900	5.8
109.06477	1.5
113.02296	2.0
113.05930	0.9
113.09584	1.7
119.04897	1.8
121.02814	2.0
124.00854	0.5
125.09542	0.6
127.07507	0.7
127.11159	0.7
135.08037	2.7
139.93176	0.6
141.12720	0.7
143.03409	0.7
161.04485	0.8
163.07520	3.0
163.11177	2.0
171.10258	3.0
173.04518	0.6
175.07304	0.6
189.12796	0.8
191.10722	2.6
205.12401	0.8
205.53854	0.7
209.19054	2.1
219.81270	0.5
220.43660	0.6
221.15349	1.3
223.13391	2.0
243.17519	0.7
249.15016	1.6
257.15433	1.5
259.16977	1.8
261.18573	4.7
265.14337	0.8
275.16489	0.8
277.18018	16.9
278.18265	1.2
279.19666	39.1
280.20084	2.6
305.17520	5.5
323.10510	3.0
323.18588	100.0
324.18936	6.7
345.87119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1865
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03314	10.1
59.01238	24.8
62.46437	1.7
68.42303	1.5
69.03320	2.9
70.86064	1.9
71.01238	13.3
71.04881	10.3
73.02790	4.0
80.02531	2.4
80.08321	1.8
81.03309	6.9
83.01248	10.4
83.04868	9.1
83.70939	1.8
85.02798	6.6
89.02290	8.8
93.03310	3.5
95.04889	16.1
97.02809	3.4
97.06422	16.3
99.04390	2.4
101.02297	6.8
101.19359	1.9
102.03240	2.0
104.11749	2.2
108.83552	1.9
109.02760	2.3
109.06438	7.6
111.08048	2.4
113.02299	7.8
113.05952	5.4
116.92715	2.2
119.03375	3.0
121.02788	2.6
121.06544	3.1
123.04389	3.2
123.08019	4.7
125.05959	1.9
125.09573	15.4
127.07517	2.4
135.08018	10.2
137.09544	2.2
143.03407	3.3
149.09587	3.8
151.11195	7.1
153.09140	4.0
154.23207	2.5
161.04445	6.4
161.05840	2.7
163.11183	6.8
165.12729	12.9
167.10683	5.0
173.04576	2.3
179.10797	4.8
181.12270	17.3
185.11699	14.6
189.12762	5.3
191.10696	13.9
203.14322	6.1
207.10239	3.3
209.11777	100.0
221.11823	3.1
221.15463	2.9
237.14886	21.6
243.17453	5.4
247.13338	5.8
249.14912	3.4
251.20190	12.1
265.14398	17.2
277.14569	3.7
277.18164	3.0
279.19647	3.1
287.16510	12.8
293.68112	2.6
305.17581	18.2
323.10037	10.7
323.14944	10.0
323.18622	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89838	0.1
52.86401	0.3
52.94617	0.1
54.44215	0.1
59.00077	0.3
59.01242	18.0
59.01512	0.7
59.01669	0.6
59.02500	0.3
60.41799	0.2
66.65463	0.2
68.36731	0.2
69.43241	0.2
96.95833	0.4
97.13347	0.1
98.95441	0.4
110.52425	0.2
137.98152	0.2
138.80711	0.2
184.17101	0.2
241.21706	100.0
241.32408	0.8
242.22058	4.6
252.07434	0.3
323.22055	22.1
324.22452	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04361	0.2
57.87284	0.2
59.01234	1.1
71.01240	0.4
85.06438	2.4
89.02297	0.3
96.24894	0.3
96.95850	0.6
100.53853	0.2
101.02240	0.3
113.94186	0.2
117.47675	0.2
121.02801	0.3
133.02803	0.3
139.11055	0.3
151.11203	0.3
155.32852	0.2
165.01933	0.4
171.10153	0.3
193.15923	2.4
209.15416	1.2
219.13898	0.4
225.14883	0.6
237.05426	0.3
237.14943	20.0
238.15273	1.0
261.22177	0.3
265.14862	0.4
305.21213	4.3
321.20703	1.0
323.16312	2.5
323.22290	100.0
324.22626	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	323.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01103	0.8
59.01406	0.6
64.02474	0.4
71.03223	0.4
73.87219	0.3
75.16317	0.3
78.50141	0.3
78.50733	0.5
96.95678	8.3
96.96379	1.6
96.96755	0.5
123.04247	0.6
128.93152	0.4
137.05859	0.9
139.03659	0.4
152.48726	0.4
156.04050	0.5
165.09030	1.8
165.12538	1.2
167.14175	0.8
189.12552	0.5
209.20578	0.4
217.15854	0.7
225.14938	0.5
251.16393	0.5
261.22244	4.3
265.14810	13.8
265.17719	1.0
279.23245	0.6
287.20053	1.2
305.21240	100.0
306.21552	5.9
323.10529	1.2
323.16833	3.1
323.22314	16.0
324.22556	0.9
340.06284	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2228
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
59.01251	2.0
71.01219	0.6
79.95577	0.6
101.07321	0.3
102.80663	0.3
113.09657	0.4
123.04378	1.0
137.05948	0.7
137.09622	0.8
139.11122	0.5
163.11201	0.4
165.09122	1.7
165.12761	1.2
167.14342	0.5
179.14253	0.5
183.01180	1.1
183.28447	0.4
189.12749	0.6
198.09042	0.5
207.13847	0.6
217.15910	0.7
220.14767	0.4
225.15042	0.4
235.13353	0.6
245.18909	0.4
261.22214	4.3
275.82300	0.5
279.23279	0.8
287.20105	0.6
305.07401	1.1
305.21240	100.0
306.21582	4.0
323.09705	0.4
323.16867	8.7
323.22302	17.6
324.17169	0.4
324.22543	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80415	0.2
57.03304	0.5
59.01232	1.2
67.93990	0.2
71.01233	1.1
73.02798	0.7
77.60195	0.2
78.95748	0.2
79.95602	0.2
85.02802	0.2
87.00748	0.4
88.03900	0.6
89.02299	1.1
96.96841	0.3
98.29081	0.2
99.04385	0.4
101.02287	0.6
106.97952	0.4
113.02365	0.2
113.99751	0.2
116.01627	0.7
117.01794	0.9
118.02119	0.5
124.00622	1.3
125.02299	0.3
126.23040	0.2
128.03432	0.9
129.01822	0.3
130.04970	1.0
130.08609	100.0
130.12283	1.2
131.08960	1.4
133.04939	6.6
144.03728	0.3
144.06551	0.3
144.10172	0.5
145.04970	0.3
161.04414	0.4
163.06015	0.5
169.48235	0.2
173.04485	0.4
181.07121	1.4
189.07538	0.3
191.05551	0.6
195.04387	0.7
214.80539	0.2
223.04053	0.5
244.60333	0.2
269.23608	0.2
318.69119	0.2
325.10806	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	324.9436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.16851	0.2
62.86022	0.1
65.50303	0.2
66.89442	0.2
72.98787	0.2
72.99171	3.7
83.51814	0.2
86.96567	0.2
90.50817	0.2
91.73398	0.4
93.03331	0.3
99.08002	0.7
101.05939	0.8
106.04099	2.3
107.04882	1.2
109.06449	4.3
119.04968	0.2
119.08524	1.0
121.02821	4.7
134.03609	0.6
135.04378	1.1
135.11719	1.0
136.05196	1.2
142.95358	0.2
147.11604	0.2
149.09586	0.2
162.03246	0.2
163.05159	0.9
163.11182	100.0
163.16571	1.1
164.11548	0.5
165.09096	0.2
165.12755	5.2
173.09621	0.4
175.11168	1.2
177.09230	0.2
178.10062	0.2
180.29904	0.2
187.17465	0.2
190.82509	0.2
191.10760	0.5
193.12262	9.3
207.10194	0.6
209.11809	0.8
219.10213	1.1
237.11285	3.0
251.09251	4.0
279.48969	0.2
325.09320	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	324.9454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	8.1
61.24690	1.7
66.20302	1.5
67.17724	1.6
68.99661	2.0
71.01246	12.5
71.01591	1.7
72.99169	5.9
74.99234	8.8
75.18166	1.9
78.95756	12.5
82.99760	5.0
84.01171	1.7
89.02301	3.8
90.42252	1.9
91.70199	1.7
91.73327	2.2
96.95878	5.5
101.00803	5.8
102.98747	19.9
109.03951	2.2
113.00826	5.4
113.02281	2.5
114.98756	9.3
115.00211	9.4
117.00299	31.9
118.00336	2.2
119.57611	2.1
120.94513	3.1
120.95333	22.2
121.02825	3.7
126.98757	13.8
127.05036	6.0
128.03410	3.8
129.00314	68.2
130.00507	3.9
136.93909	38.4
136.94865	9.7
137.93968	2.6
138.98763	8.0
141.00372	2.1
142.98225	8.5
144.99831	7.4
145.06082	35.5
145.93938	3.3
146.69878	1.9
153.97502	8.5
154.98265	59.1
155.98453	3.3
156.99829	28.5
163.11182	49.0
165.12755	3.6
168.01508	5.3
168.99825	2.2
171.98544	1.9
172.99323	3.1
178.95000	8.3
182.97836	5.3
184.99409	5.8
186.00099	15.8
190.94841	22.6
192.94110	3.6
193.12300	6.2
200.98711	2.1
206.94202	2.0
206.95522	7.8
210.02617	2.0
210.94829	2.2
210.98575	24.5
212.21724	1.9
218.95552	3.1
224.96584	3.4
226.98111	5.1
234.95067	68.1
235.95076	3.1
236.96463	4.2
240.96074	2.7
244.97899	24.7
246.98763	16.9
247.97536	5.4
252.95984	7.1
254.97641	61.7
255.97946	4.9
262.94348	8.4
265.00159	6.9
278.93787	2.3
280.95624	23.6
306.93301	65.1
307.93365	3.3
322.94366	2.4
324.94443	100.0
325.11566	4.0
325.94720	9.0
335.62820	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	325.0719
Annotation	5,7-Dimethoxy-3',4'-methylenedioxy-4-phenylcoumarin
Peak:m/z	Relative Intensity
50.48798	0.2
54.37736	0.2
58.94762	0.2
59.01242	8.1
61.80303	0.3
62.06364	0.2
67.77087	0.5
67.77405	0.4
71.83252	0.3
72.99149	1.0
75.62958	0.3
79.35551	0.5
79.35954	0.6
88.82787	0.3
90.75976	0.3
93.03256	0.3
106.04117	0.5
107.04891	0.5
109.06434	1.0
121.02801	1.2
145.04185	0.3
148.11577	0.3
155.04915	0.8
163.05699	0.4
163.11183	23.5
164.11494	0.7
165.12740	1.0
167.04922	1.4
182.03629	0.6
183.04390	2.8
193.12218	2.4
195.04439	2.4
201.44531	0.3
210.03146	0.8
211.03955	4.1
222.03093	0.4
223.03955	3.2
237.05429	0.3
237.11397	0.6
238.02599	0.4
239.03471	69.5
240.03789	3.2
250.02823	0.4
251.03470	2.3
251.09218	0.9
253.05107	0.8
254.05798	5.8
255.05920	0.4
267.03000	56.4
268.03333	2.7
271.06131	0.4
281.04559	0.8
282.05338	15.1
283.05621	0.7
293.04614	0.4
295.02469	24.4
296.02859	1.3
309.04034	1.4
310.04843	100.0
311.05203	6.0
325.07178	78.7
326.07501	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	325.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09616	0.3
57.07312	0.3
59.01223	0.5
61.22612	0.4
63.30091	0.3
67.05999	0.4
69.07991	0.3
69.30273	0.3
72.99165	2.8
81.03304	1.6
89.24969	0.3
93.03313	1.1
99.08021	4.3
101.05939	8.6
101.06594	0.5
106.04111	0.8
107.04236	0.6
107.04887	5.8
107.84844	0.4
109.02816	0.6
119.04861	1.0
121.02827	0.6
123.01859	0.4
123.04369	0.4
123.08011	0.4
124.05167	0.7
127.07503	0.8
134.03584	2.1
135.04401	10.1
136.05183	5.3
137.02225	0.8
147.11588	0.5
149.02328	0.4
152.04628	0.7
161.09558	0.6
162.03162	2.3
163.11200	4.9
165.12738	0.7
173.09685	0.9
175.11183	10.5
176.11414	0.5
177.09146	2.6
178.09702	0.6
179.10774	0.9
181.12257	0.6
189.09151	0.9
189.11842	0.4
191.03941	1.1
191.10699	100.0
192.11058	5.3
193.12268	40.7
194.12550	1.8
201.09135	0.8
207.10204	0.7
209.11766	9.7
210.12054	0.5
219.10222	16.9
220.10582	0.9
221.08156	1.7
235.09747	1.7
237.11249	2.4
253.10831	1.3
263.09219	1.7
281.10312	15.3
282.10574	0.9
286.07858	0.4
307.08258	16.4
308.08612	1.1
325.09299	17.5
326.09540	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04969	0.2
59.57221	0.2
74.80829	0.2
75.17001	0.2
75.86118	0.2
90.72746	0.4
93.03323	0.5
97.33991	0.2
117.03393	0.3
119.01736	1.2
119.04892	100.0
119.08540	1.1
120.05231	2.8
122.88776	0.2
123.03477	0.2
162.98813	0.8
163.03906	81.1
163.09727	0.7
164.04250	3.0
289.07312	0.3
325.09256	0.5
334.66953	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	325.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85716	0.5
57.40790	0.5
72.99160	4.9
81.03300	1.6
91.72785	0.7
93.03302	2.2
98.91105	0.8
99.08022	11.4
100.59947	0.6
101.05946	16.4
107.04884	19.1
111.51783	0.6
118.04098	0.9
119.04908	2.0
120.05651	1.1
121.02789	0.9
122.03625	0.9
134.03604	2.5
135.04395	24.6
136.05191	14.2
137.02319	0.9
160.08852	1.1
162.03120	2.6
163.11154	5.5
165.12697	1.4
173.09618	1.7
175.11191	18.6
177.09180	3.2
179.10718	1.5
189.09021	1.1
191.10696	100.0
192.11005	5.0
193.12265	98.2
193.19438	1.2
194.12592	4.4
201.09180	0.8
209.11792	7.8
219.10214	16.7
220.10533	0.9
221.08180	1.3
235.09766	2.3
237.11317	2.5
253.10750	1.5
263.09378	1.5
281.10321	16.4
282.10724	1.3
298.88046	0.8
307.08252	16.2
308.08591	0.9
325.09308	15.6
326.09534	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11251	0.4
53.93064	0.3
55.96460	0.3
59.01246	2.2
61.59040	1.0
61.59307	0.5
72.99149	1.9
78.95762	0.4
79.05363	0.7
81.03297	1.1
93.03305	1.3
97.07746	0.4
99.07378	0.9
99.08014	16.4
101.05941	10.2
107.04891	12.8
109.06487	0.6
114.05467	0.8
118.04111	0.6
119.04918	2.2
120.33380	0.4
133.06512	0.6
134.03638	0.7
134.04585	5.7
135.04398	17.7
136.05182	18.2
137.02411	0.5
147.11702	0.6
160.08824	0.7
161.40178	0.4
162.03079	0.6
163.03926	1.1
163.11154	1.9
165.09090	0.5
165.12694	1.7
173.09608	0.8
175.11177	13.4
175.13521	0.5
177.09070	0.9
191.10681	3.6
193.12267	100.0
194.12666	3.8
207.10202	0.8
209.11717	1.8
219.10225	3.6
237.11334	0.8
251.09187	0.6
253.10802	0.7
289.07248	1.7
289.76746	0.4
307.08212	5.2
325.09302	34.3
326.09537	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	325.0929
Annotation	Bilobalide
Peak:m/z	Relative Intensity
56.42322	0.5
61.59040	1.1
61.59307	0.6
64.29755	0.5
72.99149	1.4
81.03320	1.3
91.06067	0.6
93.03300	1.9
99.07382	1.0
99.08014	20.1
101.05939	15.9
105.72169	0.6
107.04889	18.0
109.06406	0.7
118.04114	7.3
119.04863	1.8
119.08877	0.6
120.05614	0.6
127.80420	0.7
134.03673	0.8
135.04396	21.4
136.05190	15.3
160.08827	0.8
163.11200	1.1
165.12717	2.1
173.09605	1.4
175.11194	20.9
176.11578	1.1
177.09201	1.0
191.10742	4.3
193.12267	100.0
194.12614	4.0
207.10237	1.3
209.11708	0.9
211.58688	0.6
219.10260	3.6
237.11284	1.4
251.09323	0.8
307.08331	4.0
325.09308	55.6
326.09616	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	325.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37400	0.6
54.53510	0.5
54.66502	0.5
59.01231	2.8
60.13884	0.6
62.38891	0.5
72.99167	17.1
88.46234	0.7
96.95897	0.6
97.71989	0.6
99.07995	0.7
101.05957	0.7
106.04095	0.9
107.04896	1.5
108.84425	0.6
119.04952	0.7
134.03598	1.2
135.04393	1.6
136.05190	1.9
137.09645	0.7
147.08113	1.0
149.28801	0.6
161.09625	2.0
163.11186	100.0
164.11478	4.4
175.11200	11.3
177.09138	16.5
178.09410	0.7
179.10686	2.1
183.11406	0.8
189.09154	1.1
191.10703	31.4
192.11002	2.0
193.12270	66.4
194.12567	3.7
201.09239	1.1
207.10149	4.5
216.13779	0.8
219.10220	74.3
220.10606	3.7
237.11324	8.6
240.24008	0.6
263.09247	4.5
307.08267	2.8
325.09332	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	325.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03887	0.2
64.67691	0.3
68.13305	0.3
72.99165	4.1
78.85126	0.3
78.95355	0.3
79.24434	0.2
84.37576	0.3
91.44375	0.3
91.72659	0.4
99.08025	0.6
101.05920	0.8
106.04115	2.4
107.04900	1.4
109.06451	4.6
119.08534	0.8
121.02821	5.5
135.04369	1.3
135.11646	1.0
136.05142	1.2
148.73366	0.3
153.00468	0.3
163.11185	100.0
163.16786	1.1
164.11505	3.5
165.09074	0.4
165.12759	4.4
175.11208	1.2
189.89908	0.4
191.10728	0.5
193.12277	10.4
194.12592	1.0
207.10249	1.1
209.11813	0.7
219.10246	1.3
220.92673	0.4
237.11319	4.1
251.09256	3.8
252.09616	0.4
325.09283	2.6
343.32343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	Bilobalide
Peak:m/z	Relative Intensity
55.88997	1.5
55.89242	0.6
72.99168	21.3
73.02798	1.1
78.26039	0.6
81.03294	0.9
93.03333	0.6
97.76477	0.8
99.07993	1.2
101.05901	1.3
103.53226	0.6
106.04090	3.3
107.04903	1.9
109.02761	0.6
109.06449	3.9
117.19746	0.5
118.04126	1.4
119.08530	1.2
121.02821	6.9
127.07522	0.9
134.03600	1.1
135.04401	1.9
135.11665	8.6
136.05173	1.7
137.09674	0.6
149.09625	1.0
163.11185	100.0
164.11513	4.9
165.09129	0.7
165.12743	9.2
175.11183	5.8
191.10703	2.8
193.12277	11.8
194.12534	0.7
207.10265	1.7
209.11806	1.5
219.10225	1.7
237.11340	2.8
251.09216	2.4
281.10321	0.9
325.09296	60.3
326.09689	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	325.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01223	3.0
67.65237	0.6
72.99172	5.0
75.30433	0.5
87.59608	0.6
93.03291	0.7
101.05925	1.0
102.89603	0.6
106.04090	1.6
107.04886	1.5
109.06435	4.0
110.15792	0.6
119.08564	0.9
121.02827	6.3
134.04565	3.3
135.04359	1.9
135.99307	0.7
136.05186	0.6
151.11072	0.7
163.05446	1.3
163.11182	100.0
164.11520	3.9
165.12724	5.7
175.11208	1.9
183.01126	3.0
191.10692	1.4
193.12274	12.1
197.02727	2.7
205.12251	0.8
207.10234	0.8
209.11823	1.2
227.86311	0.7
237.11273	3.3
251.09309	3.7
283.99265	0.7
310.08609	0.8
310.18390	0.7
325.09354	3.0
325.18420	11.4
325.22446	0.8
325.23779	1.0
325.27319	0.7
331.67041	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.24001	0.2
59.01241	2.5
60.73843	0.2
71.01237	0.6
71.43214	0.2
73.02810	0.3
76.49186	0.2
78.95759	0.3
83.58407	0.2
84.05353	0.2
89.02287	1.2
90.72758	0.5
91.67722	0.2
93.03312	0.9
99.00748	0.5
101.02305	0.5
113.02310	0.3
116.92715	0.8
119.01549	1.2
119.04891	100.0
119.08656	0.9
120.05236	1.8
130.08640	0.3
131.07008	1.1
133.06444	0.3
133.28494	0.2
134.04596	4.2
145.04958	0.4
162.98660	0.8
163.03905	63.1
164.04254	1.2
173.76646	0.2
214.86885	0.2
233.14610	0.2
265.12833	0.2
325.09570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98286	0.2
55.75974	0.2
55.89104	0.2
59.01241	1.6
69.12872	0.3
72.99142	0.8
73.34068	0.4
79.36445	0.2
93.03280	0.5
101.05941	0.3
106.04068	0.3
107.04856	0.2
108.02003	0.2
109.06424	0.9
117.03310	0.4
121.02828	1.0
135.04373	0.4
140.91484	0.2
158.03619	0.3
163.05466	0.2
163.11177	19.7
164.11511	0.9
165.12740	0.7
167.04926	0.8
175.11089	0.2
180.05582	0.2
181.06453	1.0
182.07285	0.6
191.89674	0.2
193.06578	0.5
193.12294	1.8
195.04446	0.6
195.08046	0.3
196.05174	0.3
200.04779	0.4
208.05258	0.3
209.06018	5.4
210.06837	2.1
219.10153	0.4
223.03947	0.7
223.07550	1.3
224.04732	2.0
225.05478	0.5
237.05540	5.0
237.09213	0.5
237.11243	0.4
238.06320	34.6
239.06755	1.8
251.07106	11.8
251.09236	0.6
252.07874	10.1
253.05054	0.4
253.08514	0.6
254.05931	0.5
265.05139	0.3
265.08759	0.9
265.14630	0.3
266.05847	43.2
267.06223	2.4
279.06610	2.0
280.07343	2.0
281.08109	1.6
282.08966	11.8
283.09366	0.5
284.07071	0.6
293.08185	0.8
297.11304	5.9
298.11581	0.3
299.85327	0.2
309.07767	0.4
310.08478	27.7
311.08719	1.3
312.06491	0.3
324.94400	0.8
325.10818	100.0
326.11151	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	325.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89095	1.3
59.01247	4.3
63.63435	0.3
67.01758	1.0
69.03316	32.2
69.04891	0.4
71.01235	0.6
72.99171	3.3
81.03323	0.3
84.02019	0.5
93.02757	0.5
93.03320	6.8
99.07994	0.5
101.05949	0.9
102.04600	0.3
102.53927	0.3
105.15241	0.3
106.04111	3.2
107.04905	3.4
108.02090	0.3
108.97508	0.4
109.06458	3.5
117.03331	0.6
119.04899	7.0
119.08537	1.0
121.02826	6.0
123.04347	0.5
130.04106	0.4
131.04913	1.0
132.05701	1.0
133.06470	2.7
134.03635	0.8
135.04408	1.6
135.11673	0.8
136.05185	0.9
143.04922	3.0
145.02859	3.1
145.06514	1.0
147.04407	2.6
149.02371	0.8
149.05983	3.6
153.01991	0.4
159.04413	2.7
160.03839	0.5
160.05190	8.7
160.06439	0.6
161.05969	2.6
162.03171	0.5
163.11191	80.3
164.11543	3.5
165.12737	3.7
171.04465	0.7
175.03914	1.9
175.07562	0.6
175.11226	1.0
176.80641	0.4
188.04659	0.4
189.05505	4.8
193.05017	0.4
193.12285	8.2
207.10236	0.4
209.11800	0.6
210.87201	0.4
219.10234	0.9
219.75043	0.3
236.08524	0.6
237.09203	0.6
237.11218	2.5
251.09271	3.3
258.27588	0.3
265.08725	0.8
266.05853	0.6
282.09171	0.5
295.06442	0.6
295.09717	3.9
296.09930	0.4
297.11401	0.9
310.04886	0.7
310.08511	1.0
325.10849	100.0
326.11197	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	325.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	2.1
57.03292	0.6
59.01239	7.6
59.88118	0.4
71.01225	1.8
72.99144	0.6
73.02792	0.9
78.95760	0.7
85.02823	0.8
87.00714	0.8
89.02283	2.2
89.52867	0.4
93.03332	0.6
95.42947	0.4
96.95880	3.6
98.97988	1.4
99.00737	100.0
100.01096	0.9
101.02282	0.9
113.02357	0.6
115.07522	1.8
118.54118	0.4
119.04890	3.7
129.05449	1.4
130.08617	1.8
130.99271	0.5
131.03372	40.5
131.08932	0.8
133.04938	1.3
134.04604	7.6
145.02859	0.5
145.04955	0.8
145.06042	1.1
152.91739	0.7
163.03893	1.5
173.04495	1.0
175.02379	0.9
191.05508	0.7
193.07256	0.6
205.07172	3.7
264.98123	0.5
265.12994	1.6
324.99261	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39523	0.9
56.85260	0.9
56.98462	0.9
59.01243	30.1
63.97472	0.9
72.76366	1.1
72.99158	4.6
75.48869	0.9
85.02792	1.6
89.02287	2.3
101.02314	1.4
102.79012	1.1
106.04070	1.6
107.03525	1.1
107.04874	3.1
109.06445	4.9
119.04893	2.0
119.08536	1.1
121.02837	6.1
132.44653	1.1
134.04605	42.0
135.04489	1.8
136.05191	1.6
157.81941	1.4
163.03955	2.1
163.11188	100.0
163.17006	1.2
164.11539	5.4
165.12718	4.6
175.11227	2.2
179.14265	2.0
193.12277	12.2
195.29419	1.1
209.11763	1.6
219.10406	1.8
237.11348	4.2
251.09377	2.5
266.09262	1.4
281.16656	1.7
289.18002	2.1
307.15518	1.3
325.09183	5.2
325.16626	2.5
325.20230	5.1
325.31094	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12760	0.1
56.76700	0.2
58.94470	0.2
59.00074	2.0
59.01244	100.0
59.02562	1.3
59.99782	0.1
60.01582	0.7
62.26297	0.2
65.03833	0.3
66.57137	0.2
71.01250	0.2
72.99170	2.1
73.12165	0.2
87.04374	0.3
88.31097	0.2
93.01063	0.6
93.03317	41.2
93.05895	0.4
94.03640	0.7
99.08025	0.3
101.05941	0.6
106.04098	0.7
107.04881	0.7
108.02064	0.2
109.06451	2.5
117.03345	0.6
119.04887	0.3
119.08545	0.4
121.02816	3.1
133.02847	0.5
134.03624	1.0
134.04547	0.2
135.04381	0.7
135.11641	0.5
136.05128	0.6
137.02315	0.4
147.04375	0.5
160.58257	0.2
161.02338	1.6
162.01897	0.3
162.03130	4.8
163.05905	0.6
163.11188	49.8
164.11522	1.9
165.09079	0.2
165.12755	2.3
166.12985	0.2
169.84035	0.2
175.03868	0.7
175.11154	0.5
176.04700	0.4
177.01881	1.1
177.05446	0.9
178.02544	0.5
181.06532	0.2
191.10768	0.3
193.12273	4.8
196.52936	0.2
200.14096	0.2
207.10175	0.4
209.06078	0.4
209.11670	0.4
214.06456	0.2
219.10321	0.4
225.05547	0.5
226.06282	1.2
237.05435	0.5
237.11282	1.4
238.11714	0.2
251.09241	1.9
253.04974	0.6
254.05849	2.5
265.04974	0.6
265.14325	0.3
281.01752	0.3
281.04578	3.9
282.05325	3.6
283.05893	0.3
290.51645	0.2
297.04657	0.3
297.07718	3.7
297.10812	0.2
298.07983	0.3
310.04794	0.4
310.08203	0.3
325.06976	8.3
326.07376	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2022
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03320	7.3
59.01241	12.4
62.31442	1.1
64.74926	1.4
69.03310	3.4
71.01230	3.8
71.04881	13.3
72.99170	1.9
73.02795	2.5
75.53593	0.9
78.95800	1.3
80.02521	3.1
81.03329	2.2
83.04881	5.1
84.02022	2.3
85.02807	2.1
85.06474	1.3
87.04375	4.0
89.02298	1.3
91.05392	2.6
93.03330	1.8
95.04878	3.9
97.02808	7.0
97.06467	8.4
98.03586	1.0
106.04121	1.3
107.04877	2.7
108.12145	1.0
109.06457	37.3
111.04382	0.9
111.08026	1.4
113.05932	1.2
115.07506	1.6
119.04919	2.7
119.27110	0.8
121.02819	2.3
123.08007	1.6
125.05966	3.8
127.07528	4.1
134.04608	29.9
151.11151	3.7
152.99428	1.6
153.09134	1.7
153.12711	2.1
159.34465	0.9
163.03911	2.8
163.11182	30.8
164.11566	1.3
165.12769	2.2
167.10689	2.2
167.14209	1.5
169.12225	7.7
177.12790	1.6
181.05013	3.9
181.12286	7.0
183.13846	5.2
185.11755	1.3
193.12285	7.8
195.13716	1.1
197.11768	59.3
198.12044	1.7
199.13361	5.9
208.11000	0.9
209.11815	2.0
211.13351	75.1
212.13730	3.3
219.13873	2.6
223.13472	1.7
227.12877	3.3
233.11569	1.1
235.13388	16.6
237.14952	10.0
249.14960	3.5
267.16077	2.0
281.17664	1.4
287.09164	1.7
289.18204	7.0
307.19110	7.9
310.08521	1.7
325.20233	100.0
326.20535	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	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37645	1.2
57.03316	2.9
57.14792	1.3
59.01011	1.5
59.01247	15.6
69.03306	3.2
69.33224	1.5
71.01253	2.8
71.04873	5.6
72.99165	2.9
80.02530	2.3
83.04871	5.3
85.06428	2.7
89.02289	4.2
91.05416	1.7
93.03318	2.7
95.04880	2.1
97.02808	3.1
97.06464	3.8
98.64473	1.3
109.06458	26.8
119.04898	2.9
121.02851	2.2
125.05952	2.4
127.07505	2.5
134.04602	27.5
146.04974	1.7
151.11226	3.0
153.12791	2.3
163.06006	2.0
163.11180	48.5
165.12790	4.7
167.10718	2.4
169.12274	6.3
171.10152	2.2
181.12308	3.7
183.13841	3.8
185.11812	2.1
193.12227	10.7
197.11761	45.9
197.80276	1.7
199.13483	4.1
209.11794	3.8
211.13345	42.1
223.13354	2.6
227.12827	3.1
233.11545	4.9
235.13440	6.3
237.11324	2.2
237.14937	6.5
249.14960	3.9
266.28250	1.8
289.18097	5.7
307.19400	3.8
310.04788	3.2
325.07272	3.2
325.20233	100.0
326.20679	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	325.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73034	0.2
54.17854	0.2
59.01252	0.3
92.02525	0.9
93.03316	0.3
95.01240	0.5
99.65720	0.2
104.75297	0.3
106.04105	3.6
107.04897	2.6
108.02032	1.0
109.02829	0.2
117.07462	0.2
119.01243	0.3
119.04893	17.7
119.08109	0.3
120.05227	0.4
121.02829	6.3
133.06465	5.1
134.04585	0.8
137.02347	0.7
147.08012	0.5
161.09674	1.5
163.11205	2.7
170.00334	0.2
175.11224	1.7
183.01126	9.1
184.01772	0.6
189.12775	1.5
193.12215	0.4
197.02834	0.5
203.14345	1.1
215.14461	0.4
217.15985	0.9
229.15956	0.8
231.17490	1.1
239.14267	0.4
243.17412	0.3
245.19189	0.4
253.16078	0.4
267.17535	0.3
295.20828	0.3
309.22220	0.7
323.23856	3.9
324.24274	0.5
325.18915	16.5
325.25375	100.0
325.40048	1.0
326.19244	1.6
326.25714	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	326.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	8.4
61.92593	0.2
61.92944	0.2
66.99585	0.2
67.57522	0.2
71.01240	0.4
72.00748	0.4
73.02814	0.2
74.02299	0.2
75.00738	0.2
78.95769	0.2
79.95566	0.2
81.50836	0.2
82.14210	0.2
83.06454	0.2
85.02799	0.3
87.00711	0.4
89.02280	0.4
92.02421	0.3
93.03288	0.3
93.60178	0.2
96.95885	0.3
99.00716	0.3
101.02308	0.6
101.05902	0.2
106.97939	0.3
107.03513	1.9
108.04427	0.2
111.25176	0.1
113.02304	0.2
124.00605	1.1
128.03432	0.2
130.04968	0.2
130.08594	1.0
131.03343	0.2
131.08954	0.2
132.06558	0.4
132.09055	0.2
133.04950	0.7
134.00771	1.2
134.04601	100.0
134.09004	1.0
135.05045	1.3
137.02379	0.2
147.04411	1.3
147.06488	0.4
150.09111	0.4
152.07115	0.2
161.04480	0.2
164.07057	5.1
165.01927	0.2
173.04449	0.4
178.31860	0.2
190.96709	0.2
191.05542	0.5
194.08186	1.6
195.04358	0.7
217.88986	0.2
223.03946	0.4
238.07213	0.2
266.08926	3.2
325.10834	1.2
326.11160	2.2
327.09781	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	327.0511
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
50.05122	1.0
52.68322	0.3
54.55089	0.2
59.01239	0.5
59.14169	0.4
67.28908	0.3
77.03822	0.2
80.81538	0.3
89.03837	0.5
91.01747	1.6
91.05429	0.4
93.03305	2.1
95.01215	0.4
95.04879	0.8
101.03811	0.6
101.46530	0.5
105.03324	2.4
107.04873	1.0
107.07692	0.2
108.02035	1.4
109.02813	6.7
111.00748	0.3
113.22052	0.3
117.03331	1.4
119.01260	7.2
119.04892	16.9
119.64498	0.3
120.05206	0.5
121.02821	13.3
122.03136	0.4
123.00749	1.0
123.04409	0.3
124.01551	0.4
125.16013	0.2
131.64177	0.3
132.98607	0.4
133.02824	16.7
134.03616	5.7
135.00046	0.9
135.04393	80.9
136.01497	1.3
136.04726	2.1
137.02321	7.1
139.03876	1.2
145.02870	1.2
147.00761	24.7
147.04384	5.4
148.01576	2.5
149.02333	5.4
151.03880	1.4
159.04411	1.3
163.03896	3.9
163.11174	0.5
164.11528	0.6
165.01828	1.4
177.01851	5.4
178.02637	2.1
179.03407	42.0
180.03729	1.5
189.01762	0.3
191.03407	6.5
192.03815	0.3
203.03322	0.4
209.06013	0.7
211.07585	0.6
219.21701	0.3
227.07144	0.3
237.05608	0.5
252.24261	0.3
253.05319	0.3
271.06152	1.8
294.97287	0.3
299.05579	3.7
300.05890	0.4
327.05112	100.0
328.05481	5.9
336.40955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0723
Annotation	Bergenin
Peak:m/z	Relative Intensity
53.27971	0.1
56.41331	0.3
57.21946	0.1
61.96536	0.1
62.70902	0.2
67.21021	0.1
67.46973	0.1
74.74788	0.2
77.03831	1.2
93.03311	2.4
95.04874	0.8
106.43175	0.2
107.04849	0.2
109.02814	0.3
116.87440	0.2
121.02824	13.9
121.06405	0.2
122.03152	0.5
123.00745	0.2
123.04420	0.2
134.15771	0.2
135.04379	0.6
137.02333	1.3
139.03897	0.4
148.35992	0.2
149.02322	0.4
163.03944	0.3
164.01016	1.6
165.01834	100.0
165.07542	1.1
166.02177	3.0
177.01852	0.4
179.03433	0.6
189.01845	0.4
207.02919	3.0
231.02991	0.3
232.02551	0.2
234.16257	0.2
310.68057	0.2
327.07242	31.1
328.07596	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	327.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	0.4
57.51159	0.4
58.00471	0.5
59.01242	13.0
61.21592	0.4
69.03314	3.7
71.01240	11.7
72.99169	2.5
73.02801	3.0
74.99030	1.0
75.00731	63.5
76.01091	1.0
78.95757	0.8
85.02812	2.7
87.00734	10.9
89.02296	13.6
91.72730	0.5
93.03309	3.3
95.01235	0.8
96.96829	1.2
97.02815	6.6
98.03167	0.8
99.00745	5.8
101.02280	2.7
109.02782	0.6
110.35387	0.4
111.04377	0.6
113.02327	1.9
117.01785	0.7
129.01813	0.7
131.03363	3.7
133.04915	3.0
134.04564	0.7
135.02863	9.2
135.11874	0.5
139.03835	0.8
141.01819	5.9
149.04404	1.6
165.01837	1.4
175.02408	0.7
190.09430	0.5
191.05540	12.0
276.18329	1.8
291.07233	4.5
292.07617	0.7
309.08337	3.3
327.09344	100.0
328.09698	7.5
348.47498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1086
Annotation	Anisatin
Peak:m/z	Relative Intensity
54.42908	0.6
59.01239	4.0
59.43520	0.8
64.93214	1.1
66.87438	0.6
71.01233	2.2
72.97635	0.9
72.99168	54.7
73.00855	0.9
73.20809	0.6
75.00723	1.8
83.04884	11.5
88.97742	0.7
98.97848	0.7
99.07383	0.9
99.08018	18.8
100.12061	0.7
101.02286	0.9
101.05923	2.5
107.04877	2.5
109.06477	0.8
113.34357	0.7
115.00231	2.7
119.04866	1.0
134.04584	2.4
135.04399	2.3
136.05128	3.0
137.09590	5.4
139.11005	0.9
139.64725	0.8
158.88252	0.7
163.11203	3.4
165.12833	4.0
175.02426	4.6
175.11201	3.7
177.09157	7.7
177.12729	9.3
178.09853	1.0
180.11462	1.1
181.92461	0.9
191.10660	1.2
193.12268	16.0
195.13789	2.9
221.11827	9.9
239.12871	100.0
240.13211	2.8
265.10849	4.6
283.11896	50.0
284.12106	1.7
327.10822	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	327.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68089	0.5
59.01246	4.9
69.03298	1.6
71.01228	1.8
78.95766	1.2
81.01418	1.3
81.03313	67.9
82.03641	1.4
82.91690	0.6
83.04877	18.6
85.02817	0.8
86.18156	0.7
87.00679	0.8
89.02281	2.1
89.03849	0.7
89.65022	0.6
93.03316	2.6
97.02805	4.0
99.07992	1.9
100.98641	2.5
101.02315	1.5
101.05927	1.1
107.04867	0.6
108.02029	1.5
109.02812	2.3
111.04379	59.0
112.04703	1.6
113.02285	1.3
114.05418	1.0
116.73788	0.6
119.03373	1.5
119.04890	3.9
120.05699	1.5
121.02769	0.8
125.02319	1.2
134.04567	1.6
135.05008	0.8
136.05162	5.3
137.02396	0.7
155.03374	6.7
163.03896	3.6
163.11195	0.6
164.04544	2.7
165.05536	0.7
177.12730	3.6
186.89833	0.6
191.10764	0.9
199.02408	100.0
200.02747	3.3
203.10686	1.4
221.11787	27.7
222.12180	2.0
243.53970	0.7
265.10760	1.4
272.12711	0.7
309.09821	26.7
310.10129	2.1
327.05072	1.4
327.10800	6.9
327.14624	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74967	0.5
59.01241	2.8
67.01751	0.7
67.97068	0.5
72.99163	100.0
73.00812	2.0
73.99529	0.6
83.04878	2.7
88.92570	0.5
91.72768	1.0
93.03350	0.6
94.50894	0.6
99.08013	15.0
101.05948	2.4
107.04838	0.7
109.02808	7.1
109.06440	1.0
111.00737	1.3
116.07046	0.8
120.05750	0.6
120.99522	1.8
121.02818	1.5
124.05158	0.6
127.07487	1.4
134.04585	2.4
135.04221	0.7
136.05153	2.3
139.03862	2.3
147.11690	1.0
149.05992	0.7
161.05917	3.9
164.04666	1.5
165.09090	1.2
165.12733	2.3
167.14308	1.9
177.12749	5.2
179.10652	1.3
181.12178	0.8
191.10744	1.5
193.12231	1.5
195.13861	2.2
203.10817	0.7
205.04948	2.7
209.08205	1.8
209.11749	6.2
221.11775	20.5
222.12115	1.1
225.04436	0.5
239.12843	9.2
240.13078	0.6
244.12256	0.6
265.10794	4.9
283.11856	9.8
327.10654	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	327.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04396	1.1
58.78282	1.1
59.01245	10.0
59.20092	1.3
59.73774	1.0
72.99168	18.4
81.03301	2.6
83.04872	13.7
91.72980	4.7
93.03326	3.1
99.00748	1.6
99.08000	13.0
101.02300	1.6
101.05946	3.9
109.02827	15.5
109.06461	1.6
111.84422	1.6
118.04124	2.7
120.05695	2.4
121.02831	2.2
121.06444	1.9
121.11741	1.4
125.09597	10.8
134.04594	7.2
135.04308	1.7
136.05138	2.5
137.09650	2.0
137.47014	1.4
139.11162	2.8
149.09628	2.7
163.11206	10.7
164.11523	3.5
165.11665	2.8
165.12872	2.2
167.14346	2.9
175.11162	2.6
177.12766	100.0
178.13124	4.5
181.01294	1.7
181.12538	1.5
186.62712	1.4
191.10742	2.6
193.12282	9.5
196.22145	1.5
197.08139	1.7
203.10788	6.3
209.11798	3.5
211.13054	1.6
221.11784	32.9
222.12073	1.8
228.55257	1.6
239.12874	18.4
265.10941	4.3
283.11893	5.3
291.08774	2.8
309.09772	23.7
327.10867	78.0
328.11224	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	327.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49451	0.1
58.26150	0.1
59.01238	0.7
71.63801	0.1
72.97363	1.2
72.99164	100.0
73.00785	1.6
73.69239	0.1
73.99500	0.9
74.65398	0.1
83.04874	2.8
83.05352	0.2
84.84592	0.1
91.73052	0.6
99.08013	2.0
101.05931	1.6
107.04897	0.2
108.14970	0.1
109.02755	0.1
109.06490	0.2
120.05663	0.2
121.02833	0.6
122.03674	0.2
124.05188	0.3
128.17258	0.1
134.04610	0.6
136.05179	0.3
139.11172	0.8
141.51715	0.1
149.38126	0.1
163.11212	0.4
164.11557	0.2
166.09969	0.2
167.14343	0.6
174.81303	0.2
177.09193	0.2
177.12834	0.7
181.12294	0.7
191.10663	0.4
193.12257	0.8
195.13910	0.8
209.11748	1.1
221.11794	3.0
239.12856	14.5
239.22348	0.2
240.13216	0.9
265.10806	1.8
266.11313	0.2
283.11868	6.3
284.12286	0.4
327.10892	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	5.9
59.02460	0.3
63.19949	0.5
67.01715	0.3
72.99169	4.4
79.08692	0.3
81.03325	0.3
83.04876	13.4
84.05215	0.4
91.72687	0.5
95.04874	0.4
97.02788	0.4
99.08012	100.0
99.10573	1.5
100.08356	2.3
101.05939	4.1
109.02821	1.5
109.06470	2.5
118.04092	0.5
118.29415	0.3
120.05651	2.4
121.02834	2.2
121.06480	0.4
134.04588	0.7
138.06746	2.4
139.11165	5.5
153.12741	0.4
161.09570	0.6
162.10338	0.4
164.04662	0.5
166.10011	0.4
167.14314	1.2
175.02441	0.3
175.11124	0.5
177.12758	44.2
178.13080	2.5
179.10699	1.0
180.11508	2.7
191.10721	0.4
193.12291	0.5
195.13831	17.0
196.14174	0.7
203.10770	0.9
221.11798	4.2
221.46660	0.3
239.12846	10.2
240.13535	0.4
283.11874	2.6
309.09677	1.0
327.10867	16.6
327.14185	0.6
328.11249	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	3.3
62.29790	0.2
63.20007	0.3
69.17997	0.2
71.01231	0.3
72.99165	1.6
78.95761	0.7
81.03292	0.4
83.04380	0.5
83.04878	8.1
85.02775	0.2
93.03308	0.4
95.04890	0.3
95.49595	0.2
96.96829	0.3
99.00753	0.4
99.05059	0.7
99.08012	100.0
99.10558	1.5
100.08350	2.6
101.05936	2.3
107.04867	0.6
109.02820	0.8
109.06473	1.3
111.00690	0.4
113.02303	0.2
115.00230	0.8
118.04111	0.5
120.05686	0.8
121.02795	1.1
121.06543	0.3
125.09586	0.6
134.04620	1.1
135.04306	0.7
136.05193	0.3
138.06738	1.3
139.11179	2.3
145.05994	0.3
152.99483	0.8
153.12762	0.5
165.09090	0.3
167.14322	0.6
175.02403	1.5
175.11174	0.4
177.12769	21.5
178.13026	1.1
179.10707	0.6
180.11470	1.9
191.10754	0.4
193.12273	1.6
193.78633	0.2
194.12621	0.8
195.13904	10.1
196.14148	0.7
203.10680	0.6
221.11800	2.7
239.12866	4.7
240.13202	0.3
253.10815	0.4
283.11975	1.1
309.09821	2.4
309.14975	0.2
327.10852	22.1
328.01703	0.3
328.11246	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51531	0.1
57.09080	0.1
59.00041	0.3
59.01241	16.5
60.01583	0.2
71.01242	1.6
73.02802	0.4
75.00721	0.2
80.97476	0.2
83.01199	0.2
85.02802	0.7
89.02285	1.1
93.02757	0.3
93.03314	5.4
93.43723	0.2
93.64856	0.3
95.01237	0.2
97.02781	0.2
99.00692	0.2
101.02296	1.0
107.04887	0.3
109.02798	0.3
113.02286	0.8
114.05460	0.4
119.03354	0.4
119.04873	0.9
121.02823	0.2
121.06456	6.5
122.06732	0.2
124.74832	0.2
125.02394	0.3
128.78847	0.1
129.03304	0.5
134.04604	1.2
135.04929	0.6
147.04410	4.3
149.02365	0.2
152.92746	0.2
161.04472	1.0
165.00055	1.1
165.05466	100.0
166.05812	3.8
171.06505	0.2
177.01840	0.3
206.00209	0.2
271.58011	0.2
275.58286	0.2
304.87372	0.2
327.05051	0.3
327.10876	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	327.124
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
59.00001	0.6
59.01243	50.1
59.02357	0.8
62.78406	0.3
72.34808	0.5
76.11156	0.4
77.22569	0.3
79.86871	0.6
82.38499	0.3
86.47403	0.5
91.73262	0.4
94.94128	0.3
108.39191	0.3
115.34113	0.3
115.62932	0.3
121.02853	0.5
156.35594	0.3
163.11159	1.8
164.08279	0.6
164.11548	0.7
165.11772	0.8
183.04346	0.4
184.75206	0.5
196.05222	0.6
197.05968	0.5
209.05928	0.3
211.03935	0.9
211.07579	0.6
224.04852	0.8
225.05473	1.3
237.05557	0.9
238.06345	3.5
239.07106	4.8
240.07390	0.3
253.05064	0.8
266.05847	3.9
267.06625	2.6
268.07184	0.8
269.08209	64.8
270.08557	3.2
280.57776	0.3
284.10522	0.6
297.07693	48.1
298.08130	2.6
299.05670	0.4
311.94858	0.8
312.10059	100.0
313.10400	4.9
318.38824	0.4
327.12399	67.0
327.21603	1.8
328.12692	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	327.1451
Annotation	tetranor-PGEM
Peak:m/z	Relative Intensity
53.48894	0.8
59.01243	16.0
83.04877	1.4
92.32161	0.8
93.03403	1.0
99.08052	1.6
105.54898	0.9
107.04917	5.6
115.07581	2.9
123.04418	0.9
124.05215	1.7
129.46782	0.9
134.04616	5.5
135.05058	4.5
139.07523	15.4
151.03949	1.3
163.11177	0.9
167.07181	2.8
175.26889	0.9
177.12846	1.5
201.11409	3.3
205.12361	1.8
211.06067	100.0
211.13750	1.4
212.06615	2.5
221.15486	1.1
227.14418	0.9
237.14960	2.2
238.78058	0.9
243.01770	0.9
255.63890	0.9
263.58426	0.8
265.14450	13.8
291.13425	0.9
305.78012	1.0
309.20737	1.2
312.10132	1.1
327.14734	52.9
327.21622	11.8
328.15042	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	327.145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73135	0.1
57.03325	0.3
59.01241	2.0
68.83310	0.2
71.01237	7.4
72.99166	2.5
73.02807	2.6
75.05710	0.2
81.03329	0.5
83.01242	1.0
83.04896	0.3
85.02808	3.2
85.03303	0.2
87.00755	0.2
89.02321	0.6
95.01258	0.3
95.04895	0.3
96.95898	0.2
97.02824	0.6
99.00713	1.0
99.08031	0.5
101.02299	4.3
101.02950	0.3
108.02035	0.3
109.02825	2.0
111.04395	0.7
113.02303	4.0
113.05939	0.2
121.02854	0.3
121.06474	0.5
122.03607	1.8
123.04402	0.7
125.02321	0.7
129.01895	0.2
133.82481	0.2
134.03609	3.3
135.04456	0.5
135.08055	0.2
136.01491	0.4
136.05164	1.3
137.02393	0.4
137.05907	0.2
139.03949	0.2
143.03386	0.5
145.02864	0.2
146.03572	0.2
147.04350	0.3
147.08044	0.8
148.05200	0.7
149.05968	30.5
149.10782	0.4
150.06306	1.1
151.03917	0.4
151.07533	1.4
154.02678	0.3
155.88168	0.2
159.02887	0.9
159.04404	2.2
161.04454	4.5
163.07515	0.4
164.04718	3.2
164.08324	100.0
164.13971	1.1
164.94972	0.6
165.09105	23.1
165.14714	0.3
166.09454	0.9
167.01614	0.2
178.96542	0.2
179.03503	0.2
179.07057	1.4
179.10747	0.4
183.00197	0.3
188.08461	0.2
189.09151	0.5
192.07773	0.2
193.12329	0.4
195.12775	0.3
198.99739	0.2
199.02316	0.4
203.03426	0.7
203.07069	0.8
205.04991	0.3
207.10173	1.8
219.10172	0.5
221.11755	0.4
225.05565	0.4
233.05995	0.2
236.97118	2.3
239.12816	0.3
241.04933	0.4
245.08138	0.7
250.95169	0.6
252.96674	0.2
253.05011	1.2
264.96689	0.8
266.05829	0.4
267.06644	1.1
268.07474	1.2
278.55692	0.2
281.03799	0.2
283.06030	0.8
283.09698	1.3
284.08887	0.4
289.07159	3.6
290.07593	0.2
291.07547	0.2
299.11322	0.2
309.09674	0.3
312.05814	0.2
326.96820	3.2
327.08368	2.8
327.14694	0.4
334.71906	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	327.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28256	4.0
59.01243	59.0
59.52808	4.2
71.01237	9.8
72.05007	4.9
72.99198	4.6
73.02818	8.8
74.40013	4.3
83.04873	4.8
111.07998	6.4
120.76859	5.4
121.73108	5.7
133.99734	5.4
134.04601	45.7
134.64940	5.0
135.05057	27.6
147.04398	16.2
163.11118	6.2
171.10187	12.5
175.03856	6.2
185.11798	5.5
211.06065	18.0
255.13951	5.9
283.13300	8.6
308.95456	6.7
327.12531	42.1
327.21765	100.0
328.12915	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	327.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26016	0.1
53.15361	0.1
59.00072	2.0
59.01241	100.0
59.02593	0.9
60.01577	0.6
66.73569	0.1
70.15611	0.1
73.62213	0.1
73.93386	0.1
163.11203	0.8
164.08414	0.2
164.11545	0.2
165.11763	0.3
168.91409	0.2
203.27934	0.2
211.03780	0.2
225.05519	0.2
228.06618	0.2
269.08337	0.2
293.09796	0.2
310.27686	0.2
327.09247	0.2
327.12607	0.9
327.21933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2179
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
52.42635	1.5
53.60358	1.2
57.03303	3.0
59.01239	22.4
64.37802	1.5
69.03300	2.8
71.01241	2.9
73.02805	1.6
83.04885	1.9
99.51369	1.3
107.08551	2.4
111.08023	3.5
113.09563	6.3
115.00248	3.4
117.03297	2.4
121.02886	1.8
125.09581	6.1
127.84174	1.6
130.77872	1.9
134.04623	12.4
135.05022	9.0
139.07440	1.9
151.11224	2.5
157.08603	100.0
158.08931	3.0
169.12251	11.6
171.04527	2.0
171.10191	5.2
187.09743	8.5
201.11296	2.9
247.17085	3.4
265.18112	2.5
269.04599	18.7
273.18576	5.0
291.19519	8.2
309.20633	9.8
327.08707	3.0
327.12512	15.0
327.21780	84.4
328.22141	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	327.2178
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.69956	0.3
54.10226	0.2
55.01749	0.3
56.95712	0.3
57.03312	2.5
57.62617	0.6
57.62871	0.3
59.01242	3.5
64.92767	0.3
65.27583	0.3
69.03313	2.4
70.07115	0.4
71.01229	0.7
73.02786	0.8
77.78091	0.3
83.04878	1.2
84.02015	0.5
85.02803	12.5
93.03321	0.4
95.04849	0.7
97.02809	1.4
97.06442	3.6
99.08001	0.7
109.06445	0.4
109.64220	0.3
119.08535	0.7
123.04366	0.5
123.07980	0.5
125.09575	1.2
127.11153	1.9
134.04599	3.4
135.04053	0.4
135.05092	1.6
137.09608	3.4
153.09111	0.6
155.10652	1.1
157.08606	1.3
163.11107	0.5
165.12756	0.8
167.14317	0.4
171.04263	0.4
171.10168	29.3
172.10526	1.0
177.12747	0.9
183.13806	2.7
185.11795	0.9
193.12253	1.1
195.09937	0.4
197.05956	0.4
197.11745	0.7
201.11266	1.5
203.10721	0.4
209.11775	1.3
211.13330	14.6
212.13733	0.5
221.11787	1.9
229.14424	9.4
230.14923	0.5
239.12866	1.3
255.14029	0.5
291.19604	2.7
309.20691	1.4
327.12723	5.3
327.21780	100.0
328.12949	0.5
328.22113	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	327.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	2.5
59.01020	0.6
59.01248	6.1
69.03318	1.3
71.01239	2.7
71.04875	1.8
79.42664	0.7
83.04890	1.3
85.02811	8.8
85.06458	1.8
90.28543	0.6
91.73260	1.0
95.04880	1.1
97.02789	1.1
97.06456	6.6
111.08035	1.2
115.07489	0.6
121.02819	3.0
122.03601	3.0
123.04431	0.8
125.05956	0.8
127.11206	1.1
134.04582	5.4
135.04912	2.4
137.09592	2.2
145.06522	1.3
157.08595	8.7
167.14255	1.2
169.12279	1.2
171.10185	10.0
183.13821	9.7
187.09731	1.4
193.12239	0.9
195.13878	1.2
201.11197	1.0
211.13339	14.7
221.11748	1.6
229.14380	5.4
239.12892	1.3
251.16400	1.2
267.19669	0.7
269.17593	0.9
282.68271	0.9
283.13440	7.4
291.19769	4.2
309.20557	3.7
327.12704	8.9
327.21790	100.0
328.21664	4.0
328.25107	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	327.2178
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
51.66054	0.7
52.28841	0.7
52.74966	0.7
57.03328	0.7
58.42449	0.6
58.83798	1.6
59.01242	8.6
66.93951	0.7
71.01221	2.6
72.02023	12.0
73.02797	1.2
75.40788	0.8
83.04871	0.9
97.06462	1.8
99.04393	0.8
101.05889	0.9
111.08058	0.9
113.09583	1.7
115.60119	0.6
121.02804	1.1
123.08013	4.4
134.04594	7.2
135.04935	3.1
141.09102	18.1
141.12685	1.1
142.93469	0.8
151.11128	0.9
154.49808	0.7
165.12720	1.5
167.10657	1.1
168.91356	2.0
171.10176	1.0
181.12236	2.2
183.01184	3.5
185.11751	96.9
186.12042	4.2
195.13866	1.5
197.05923	1.0
197.98817	0.7
198.06923	0.9
211.13335	2.1
215.34935	0.8
225.14882	2.8
226.06264	1.0
240.13487	0.8
246.87350	0.9
247.20734	2.8
255.13828	1.0
267.19629	3.6
273.18576	1.6
280.20413	1.0
280.96780	0.8
283.13367	1.2
285.20663	2.1
291.19708	24.7
292.20114	0.9
309.20737	100.0
310.21060	7.6
327.12396	13.0
327.16290	5.5
327.21732	5.8
328.16525	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65998	0.4
51.42918	0.5
54.51114	0.5
59.00032	1.6
59.01244	94.1
59.02575	1.1
64.81123	0.5
69.16184	0.5
91.73427	1.0
127.55350	0.6
127.96320	0.6
141.12704	0.7
186.63719	0.7
198.58408	0.8
210.04448	2.3
249.18671	1.6
249.41458	0.7
267.19672	100.0
268.20032	5.9
285.20724	45.2
285.23990	1.2
286.21054	2.2
327.21802	31.3
328.22354	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	327.2178
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
54.74353	0.2
56.91444	0.2
57.03324	1.9
58.05922	0.2
59.01239	1.7
69.43277	0.2
70.75417	0.3
71.04876	0.3
77.10413	0.2
83.04900	0.7
84.02034	0.5
91.73268	0.4
95.04913	0.3
95.66132	0.3
97.06466	1.0
106.04099	0.4
109.06379	0.3
111.08035	0.7
113.09624	0.6
123.08066	0.4
125.09587	0.5
127.11191	0.3
131.02974	0.2
135.64185	0.2
137.09593	0.7
139.11150	0.6
151.11163	0.4
153.12770	0.7
155.10658	1.1
157.08595	1.8
163.11185	0.9
165.11807	0.3
167.14417	0.5
168.91290	0.4
169.12228	1.1
171.10188	1.9
177.16444	0.8
187.94887	0.2
193.15906	0.5
213.11264	0.3
218.98892	0.2
226.02603	0.5
245.19119	0.3
247.20660	20.5
248.20898	1.0
254.02248	0.6
263.20190	0.4
265.21768	1.9
269.08261	0.7
273.15781	0.2
273.18613	3.6
282.01678	1.0
283.16931	0.2
283.22839	0.8
291.19672	17.2
292.19904	1.2
297.04147	2.2
297.07538	0.4
309.20724	14.8
310.21115	0.9
312.06366	1.7
312.10162	0.9
315.78131	0.2
327.09140	2.3
327.21786	100.0
327.37497	0.9
328.22110	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	327.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81349	1.5
54.81584	0.9
59.00969	0.9
59.01244	12.9
67.51483	0.7
68.60675	0.7
83.04885	1.3
85.48415	0.7
93.13691	0.8
109.02750	0.8
110.75259	0.7
111.08006	2.7
112.64958	0.8
113.09590	3.0
118.73429	0.7
121.02839	4.1
125.09600	4.6
135.04372	0.8
139.07494	1.5
157.03314	1.2
157.08600	100.0
158.08914	1.9
163.11150	3.8
164.11572	1.3
165.11893	1.3
169.06456	1.0
169.12245	41.2
170.12486	1.3
173.36128	0.8
176.04619	0.8
187.09686	2.8
213.11176	1.2
241.04919	0.9
246.63069	0.8
265.21729	9.9
285.67670	0.9
309.20679	2.5
312.10007	1.7
327.08838	1.6
327.12387	7.1
327.21793	55.6
328.12949	0.9
328.22052	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21674	0.4
54.01035	0.5
55.57745	0.5
56.15528	0.4
57.27198	0.4
58.91773	0.4
59.00153	1.1
59.01242	98.5
59.02485	1.8
60.01563	0.6
61.51684	0.3
68.99449	0.5
88.20258	0.5
96.82645	0.4
108.89506	0.5
111.31335	0.5
117.15742	0.5
134.04562	1.2
135.04965	0.8
144.28731	0.4
155.14348	0.7
178.28217	0.6
180.48396	0.5
210.04410	2.1
249.18581	2.2
265.18042	1.2
267.19662	100.0
268.20026	6.1
285.20715	44.8
285.33762	0.5
286.21133	3.0
309.20859	0.7
327.12296	1.6
327.21790	35.5
328.22189	2.2
347.00687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2693
Annotation	Beilcyclone A
Peak:m/z	Relative Intensity
50.08690	0.2
52.27411	0.2
68.31588	0.2
77.61914	0.2
85.40032	0.2
87.78595	0.2
92.02540	0.7
99.70643	0.3
106.04095	3.0
107.04919	1.3
108.02031	0.3
119.04892	13.0
121.02827	4.3
133.06467	3.6
161.09618	1.0
175.11197	1.0
185.00781	0.6
186.35150	0.3
189.12767	0.6
200.67551	0.3
203.14394	0.8
217.15936	0.4
241.19215	0.3
243.17682	0.3
327.19086	2.3
327.26950	100.0
328.27319	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	328.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63248	0.2
51.66286	0.2
56.28662	0.4
56.48500	0.5
59.01236	0.3
62.49161	0.2
77.03806	1.4
77.88644	0.2
78.04164	0.8
79.05383	0.4
93.03312	2.7
94.03633	1.3
95.04890	1.0
96.05196	0.4
105.03312	0.3
107.04883	0.4
109.02864	0.3
112.81059	0.3
116.53731	0.2
121.02820	17.1
122.03159	10.1
123.00730	0.4
123.04370	3.6
135.04390	0.7
136.04752	0.4
137.02321	1.6
137.81848	0.3
138.02679	0.9
139.03906	0.5
140.04271	0.4
149.02327	1.7
164.01012	1.8
165.01833	100.0
165.07195	1.1
165.96024	0.5
166.02170	73.9
166.07553	0.7
167.02281	2.7
167.03426	2.4
177.01855	0.3
178.02278	0.5
179.03445	0.8
180.03777	0.6
190.02309	0.5
207.02940	2.5
208.03290	2.9
230.78413	0.3
242.97136	0.2
326.61075	0.3
327.07227	12.7
328.07571	46.5
329.07932	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	329.0304
Annotation	Kermesic Acid
Peak:m/z	Relative Intensity
52.48202	0.7
57.19971	0.5
57.32376	0.5
59.01246	3.9
62.05399	0.7
63.90292	0.5
71.01231	1.2
72.99167	1.5
73.02796	0.6
76.46175	1.5
76.46568	1.2
82.33200	0.6
83.01230	0.8
83.85143	0.6
85.02811	0.9
87.00716	1.0
88.18034	0.7
91.72696	0.7
93.03307	0.8
95.01227	0.9
95.04855	0.5
100.78672	0.5
101.02279	1.1
102.06326	0.5
109.02816	9.1
111.00733	9.5
113.02277	0.9
115.03876	0.8
115.05325	0.9
121.02839	1.1
123.00764	4.6
125.02331	0.7
130.28464	0.6
133.02818	3.7
135.04337	0.6
137.02295	2.6
141.05446	0.8
143.04881	1.9
145.02846	1.3
147.00739	1.4
147.04408	1.1
148.01538	2.6
149.02306	0.7
155.04912	0.6
156.05627	0.5
157.06470	0.8
159.04446	3.3
160.01506	0.7
161.02344	28.6
161.05992	1.2
162.02628	1.2
163.00243	3.3
167.03403	1.9
167.04941	2.4
167.06963	0.8
169.06517	1.7
171.04414	3.2
173.04495	1.2
173.05963	1.6
174.03090	1.6
176.01035	3.5
177.01854	1.1
179.03461	0.7
179.10844	0.7
183.04404	2.7
184.05145	1.8
185.06004	16.5
187.03934	8.6
189.05489	4.8
190.99782	6.9
195.04376	2.8
196.05220	2.8
197.06010	6.8
198.03120	1.8
199.03946	8.7
200.04536	0.9
201.05424	1.6
205.01315	3.1
211.03951	5.9
212.04715	2.5
212.98123	0.7
213.05539	14.3
214.02722	1.5
215.03430	5.0
217.04938	0.9
223.03973	4.1
224.04761	2.2
227.03464	2.7
229.05058	4.6
233.04532	4.0
239.03436	5.0
240.04240	5.0
241.05045	14.4
242.02219	1.2
243.03027	1.0
255.02969	2.2
256.03745	12.2
257.04523	16.2
267.02988	1.6
268.03745	1.3
283.02524	1.4
284.03262	4.4
285.04065	90.7
286.04358	5.4
311.01981	1.2
329.03049	100.0
329.12180	2.5
330.03375	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	329.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48439	1.2
59.01243	19.5
71.01254	2.5
79.72673	1.6
85.02818	1.7
91.39548	1.8
93.03315	3.5
95.01242	5.0
101.02283	2.0
101.62682	1.5
108.02026	44.0
111.00758	6.0
113.61504	1.8
115.18887	1.8
121.02804	11.7
123.00760	14.4
123.04385	41.6
124.01510	3.9
125.02272	2.3
134.03572	2.6
136.01552	15.0
143.04936	2.3
147.04387	2.4
149.02336	12.6
150.03142	4.9
151.00244	12.1
151.03876	5.7
152.01028	7.6
159.04433	5.3
160.05153	3.3
161.05930	2.6
164.04631	2.1
167.07071	2.3
171.04459	5.3
171.10226	2.5
175.07491	3.2
183.04425	2.8
185.05911	2.0
187.04086	4.1
199.03934	7.8
203.03439	2.5
211.13283	1.9
215.03427	38.4
215.05301	3.2
226.02702	2.1
227.03499	7.9
227.07193	2.3
242.02150	3.1
242.05815	4.2
243.02956	16.5
254.02167	2.9
255.02974	4.1
258.05331	37.5
259.05765	3.0
269.04669	2.9
269.08078	3.5
270.01724	14.5
271.02533	9.0
271.05508	2.3
285.04062	18.8
286.04828	39.9
299.02048	2.7
299.09186	4.1
301.07175	41.8
302.07462	2.9
314.04324	5.8
328.22104	6.2
329.06711	100.0
329.10025	5.4
329.13287	13.0
329.23203	16.7
330.07120	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	329.067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63724	0.7
56.93068	0.7
59.01241	9.7
61.98660	0.9
66.27258	0.9
70.73683	0.9
82.28602	1.7
82.95293	2.2
88.56712	1.1
93.03320	1.7
96.95854	1.7
108.02039	1.7
109.02857	1.3
121.02774	1.8
125.09592	1.2
127.11155	4.2
134.03619	1.2
135.04362	2.1
137.02336	1.7
139.11221	1.9
149.02293	1.8
151.00282	3.5
155.10670	1.0
159.04391	2.4
160.05174	3.2
161.02350	17.4
161.05995	1.8
165.09129	1.4
167.03473	1.7
171.10236	6.0
175.07561	2.3
179.03441	1.4
183.04408	2.5
184.05147	1.5
185.02303	4.8
187.00226	1.1
199.03922	3.2
201.01926	1.4
201.11253	16.8
203.03427	7.5
211.03946	4.0
211.13348	2.2
212.04742	2.7
215.03445	3.4
220.06364	1.1
223.03963	1.2
227.03456	15.2
229.01292	2.3
239.03490	2.0
240.04190	1.6
243.02974	6.9
243.06659	1.4
254.06055	1.1
267.03134	2.2
271.02521	44.1
271.06091	13.0
272.03009	1.8
285.04141	2.1
285.07736	1.3
285.10843	1.3
293.21216	1.8
299.01996	98.1
299.05576	28.0
299.09015	2.4
300.02240	4.6
300.05841	2.5
311.22308	1.8
313.03543	4.2
313.06778	1.2
314.04333	65.6
314.07993	18.0
314.11566	2.3
315.04758	4.9
315.08099	1.5
329.06677	100.0
329.10324	25.4
329.13992	5.2
329.23346	62.2
329.27414	1.9
330.06967	5.7
330.10593	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	329.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03439	0.1
50.07635	0.1
51.15366	0.1
59.01242	0.7
72.28442	0.1
77.03824	0.3
89.03832	0.2
91.05383	0.6
93.03313	0.7
95.01255	0.5
95.04900	0.5
99.08033	0.2
107.04885	1.2
108.02061	0.2
109.02812	0.7
117.03326	0.4
121.02829	2.2
123.04423	0.2
133.02901	0.3
134.03615	4.6
135.04398	100.0
135.08417	1.3
136.04742	3.4
147.04414	0.2
149.02328	15.5
150.02733	0.5
153.01833	0.2
161.02284	0.2
165.05420	0.3
167.07109	0.2
169.02846	0.2
173.04515	0.2
175.00217	0.3
175.03918	0.2
179.03412	81.6
179.09610	0.9
180.03763	3.1
185.02310	0.3
213.01955	0.3
219.02905	0.4
227.06975	0.2
241.01363	0.2
269.13919	0.2
285.00467	3.1
285.03662	0.3
299.05627	0.1
310.98251	0.3
328.99496	1.1
329.02844	0.2
329.06796	1.1
329.10046	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	329.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	8.5
60.01554	0.8
63.02242	0.6
65.45625	0.5
66.72526	0.5
67.50536	0.5
69.58936	0.5
70.49900	0.7
71.12543	1.0
71.12888	0.7
72.83557	0.7
72.83910	0.8
74.48296	0.8
76.59708	0.8
76.60072	0.7
78.37475	1.0
78.37864	0.9
80.35442	1.0
80.35876	0.6
93.03283	1.2
97.87152	0.5
98.17138	0.6
107.01230	0.8
121.02789	0.8
135.04318	1.1
149.02263	1.2
151.00192	1.3
159.04369	0.9
160.05092	1.5
161.02235	1.2
161.05934	1.2
163.03847	1.1
175.03886	0.9
175.07436	0.8
177.05460	1.0
178.06396	0.6
179.03259	1.4
187.00183	0.6
193.04926	1.2
193.26003	0.7
199.03905	1.9
213.05391	0.7
215.03412	0.8
227.03500	1.7
243.02875	2.4
245.07234	0.6
248.41411	0.8
268.03854	2.5
269.04428	0.7
271.02499	90.1
272.02866	5.0
281.79529	0.6
283.02835	0.6
283.15466	0.9
284.03137	0.8
285.04053	4.3
297.04172	1.4
299.01984	100.0
300.02313	5.4
313.03571	8.8
314.04355	90.1
315.04715	6.3
329.06705	90.4
329.13666	2.7
329.23221	2.1
330.06970	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	329.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97217	0.3
59.01247	5.8
63.25117	1.0
63.25467	0.5
65.09062	0.3
69.35200	0.4
71.01234	0.8
72.57030	0.3
72.99153	0.6
73.02794	0.4
74.74155	0.3
75.00723	0.5
83.04869	1.3
83.71529	0.3
85.02811	0.7
93.03332	1.0
95.01229	0.6
95.04894	0.4
99.08015	14.7
100.08351	6.5
101.02296	0.3
101.08417	1.7
107.01231	0.7
108.02048	0.6
109.02832	3.6
109.06483	0.4
109.99964	0.7
111.00788	0.5
111.04375	0.3
117.03286	0.4
119.04866	0.4
121.02789	1.4
123.00768	3.2
123.04369	0.9
124.01493	0.7
125.02329	0.4
127.00279	0.3
133.02852	2.5
134.03606	0.8
135.04419	2.2
137.02299	0.5
137.99442	0.7
140.11472	0.4
143.04883	0.7
145.02827	0.6
147.04355	0.6
149.02304	0.4
149.05933	0.4
151.00288	2.5
151.03850	0.4
152.01021	0.6
153.01794	1.1
159.04417	0.4
161.02344	1.4
162.03006	0.4
163.03897	2.0
166.04968	0.8
167.03421	0.6
167.04955	0.6
169.06485	3.9
175.03943	1.9
177.01865	0.5
177.12738	2.2
178.05049	0.4
178.13089	1.5
178.99704	1.0
179.13383	1.0
180.05742	1.1
181.06544	0.7
183.04346	0.5
185.05876	0.5
186.03087	0.7
193.12238	0.6
194.12566	0.8
196.05286	0.5
196.14386	0.6
197.06026	7.0
197.14418	0.7
198.06741	1.0
204.00519	0.4
208.05260	1.9
209.06023	4.2
210.06622	0.5
212.14618	0.3
213.05579	0.9
214.02704	0.6
216.04262	0.6
219.02965	0.6
224.04742	0.6
225.05542	20.3
226.06316	65.9
227.06682	4.0
229.01462	0.7
229.05025	6.7
239.12862	0.4
241.05121	2.2
241.08691	9.4
242.02245	2.0
242.05647	0.9
253.05159	0.7
257.04620	1.7
269.04425	0.5
270.05347	29.2
271.05643	1.7
285.07697	100.0
286.08032	5.6
286.10907	0.6
299.09286	0.7
311.11191	0.4
328.11151	1.7
329.03036	1.0
329.06650	3.7
329.11325	3.5
329.15891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85854	1.6
55.02288	1.1
56.45378	0.6
59.01244	12.8
71.01227	1.5
83.04903	1.2
85.02814	0.7
91.73286	1.1
92.33609	0.7
93.03314	2.8
95.04868	1.4
95.46726	0.7
99.04359	1.5
99.08015	5.6
101.02310	0.7
107.04895	6.6
108.02030	6.5
109.02816	42.1
111.00732	2.0
113.02341	0.8
117.03316	3.9
119.04890	2.5
121.02836	7.0
122.03621	2.4
123.00734	2.3
123.04387	27.2
124.01511	2.4
124.04778	0.9
131.04918	1.7
133.02834	19.4
134.03630	13.2
135.00014	1.5
135.04398	92.6
135.08347	1.2
136.04686	3.1
137.02303	4.0
145.02840	18.1
146.03549	0.9
147.04396	9.2
148.05157	1.9
149.02309	3.9
149.05954	9.0
157.02872	3.4
158.03572	2.5
160.01569	1.1
161.02338	42.5
161.04495	2.0
162.03137	6.9
162.98036	1.3
163.03909	98.1
164.04274	3.0
173.02406	0.9
173.04385	1.2
174.03160	3.8
175.03917	100.0
176.04356	2.9
177.05490	3.3
178.99745	0.9
182.81268	0.8
219.02943	1.2
239.07123	1.0
242.05875	1.0
243.06747	2.0
243.16261	0.8
249.05539	1.7
250.06357	1.9
265.05017	2.2
266.05707	1.9
267.06662	8.8
285.07700	99.3
285.13376	3.2
286.07956	6.6
291.68408	1.0
311.05765	1.5
329.06610	2.1
329.12497	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	329.088
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
55.82360	0.7
57.03302	0.6
59.01245	3.4
63.83794	0.6
71.01217	0.8
74.97845	0.7
75.00709	0.7
75.48132	0.6
81.03320	7.0
83.01244	5.1
88.70438	0.6
91.73305	0.8
93.03316	2.0
95.04885	10.8
97.02811	2.6
99.04369	3.1
109.02791	1.0
111.04363	1.8
113.30887	0.7
114.05507	0.8
119.04893	1.2
121.02878	1.1
122.03588	1.8
123.04387	15.9
125.01455	1.1
125.02319	16.4
127.05000	0.6
135.04384	1.0
137.02344	3.6
137.05959	14.3
137.06900	1.3
139.03877	2.6
141.05449	0.8
149.02301	1.4
149.05965	1.4
155.03374	1.3
164.82419	0.8
165.01833	1.2
165.05469	6.4
166.05804	1.6
167.03403	43.1
168.03813	0.8
177.05424	1.0
179.03426	8.8
181.04980	2.4
186.55962	0.7
193.04974	2.8
197.04385	1.0
206.02203	1.1
209.04506	100.0
210.04837	2.1
221.04501	3.5
239.05586	24.6
251.05597	1.9
260.56891	0.8
311.07758	1.0
329.08951	9.0
329.12595	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	329.0879
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.25706	0.1
53.31986	0.1
57.03309	0.4
59.01242	2.2
63.02263	0.2
65.00188	0.5
67.01749	0.3
67.34720	0.1
69.03322	0.3
71.01248	0.5
72.99193	0.1
79.05389	0.2
81.03315	5.0
81.03780	0.3
83.01238	3.1
83.04890	0.4
85.02801	0.4
93.03323	0.5
95.01242	0.3
95.04872	1.0
97.02802	0.8
99.04385	0.2
99.08012	1.6
100.08369	0.7
105.03319	0.3
107.01253	0.6
107.04885	0.2
107.54086	0.2
108.02050	0.4
109.02817	1.3
109.06429	0.2
119.04952	0.2
121.02825	1.2
123.00831	0.7
123.04389	38.6
124.04725	1.0
125.02315	5.3
125.03243	0.2
131.01262	0.3
135.04382	0.7
135.59410	0.2
137.02313	1.6
137.05981	0.2
138.03151	0.2
139.03902	0.8
147.04369	0.3
149.02361	1.3
151.00273	1.6
151.03911	1.4
153.01833	0.5
157.63774	0.2
159.04358	0.2
161.05949	0.2
163.00343	0.2
163.03917	1.4
165.01901	0.3
165.05428	0.2
166.02582	0.6
166.97864	1.1
167.03403	100.0
168.03726	2.5
173.05917	0.3
175.00293	1.1
175.03923	0.3
177.12737	0.5
178.13141	0.4
179.03456	1.1
179.13400	0.2
180.04198	0.7
181.04961	3.0
183.04428	0.5
191.03426	22.3
192.03825	0.6
193.05096	0.2
201.05574	0.5
209.04503	9.0
210.04858	0.5
211.03940	0.5
218.63426	0.2
221.04520	2.6
229.05028	4.5
230.05339	0.3
233.04553	0.4
239.05528	0.3
257.04562	2.7
267.06866	0.2
269.06586	0.4
285.04071	2.1
285.07626	0.5
311.07767	0.3
329.08774	4.8
330.09058	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12324	0.1
53.22495	0.1
58.45772	0.1
59.01242	1.6
60.66112	0.1
62.99345	0.1
65.03824	0.5
72.96394	0.1
83.04882	0.1
93.01144	1.1
93.03316	100.0
93.05818	1.2
94.03658	1.8
96.95885	0.3
101.02302	0.2
107.04877	0.2
108.02073	0.1
120.59235	0.1
121.02824	0.5
122.03556	0.2
133.64871	0.1
134.03615	0.3
135.04387	0.8
149.02289	0.2
151.03889	0.2
159.04388	0.3
160.05144	0.6
161.04582	0.2
161.05923	0.3
164.04698	0.2
166.06226	0.4
175.07565	0.4
178.06288	0.2
179.03461	0.2
204.54027	0.1
269.08273	0.3
270.08978	0.2
299.09155	0.2
314.11380	0.3
329.03040	0.5
329.06555	0.3
329.10281	1.7
329.13980	1.0
329.23300	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1242
Annotation	(1'S,2'R)-1'-(4-Hydroxyphenyl)propane-1',2'-diol 2'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.59160	0.3
57.03309	0.9
58.84871	0.3
59.01239	5.6
65.50197	0.3
66.13636	0.3
67.01763	0.4
69.03307	0.3
71.04880	0.6
72.99165	6.1
72.99543	0.6
73.02802	1.0
75.00761	0.4
76.48572	0.3
77.00715	0.3
80.83714	0.3
81.03305	1.8
83.01232	0.3
83.04876	11.2
85.02802	5.0
89.47953	0.3
91.72868	0.4
93.03320	0.9
97.02815	1.0
97.06443	1.7
99.00729	1.1
99.04376	7.1
99.05146	0.5
99.05259	0.5
99.08012	47.7
99.10503	0.7
100.08343	1.1
101.05930	2.5
107.04898	0.4
109.02821	0.4
109.06455	0.9
111.00742	5.5
111.04372	7.0
111.08044	0.8
114.45438	0.3
121.06473	0.4
123.04385	12.1
123.05276	0.7
123.07761	0.3
124.04733	0.5
125.02324	0.9
127.03879	1.9
129.05441	4.8
136.05162	0.6
138.06754	0.4
139.11165	1.3
141.09109	0.5
153.12788	0.9
155.03394	5.8
155.14339	0.5
162.51823	0.3
165.12755	1.2
167.14316	1.2
173.04454	10.7
177.12766	1.2
179.14317	4.4
183.13852	1.2
193.12279	0.9
195.13835	1.4
199.02414	3.3
205.12303	0.8
211.13486	0.5
217.03433	3.0
223.13351	1.0
241.14464	0.5
242.35866	0.3
267.12317	1.0
285.13446	25.4
286.13791	1.5
311.11423	7.6
312.11722	0.4
329.12433	100.0
330.12784	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	329.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.7
59.00970	0.8
59.01239	10.4
65.71680	0.4
69.03304	0.5
71.01231	1.0
71.04880	0.5
72.99170	5.7
73.02802	1.5
75.00723	0.4
76.48507	0.6
81.03305	2.3
83.04383	0.7
83.04878	13.1
84.05191	0.5
85.02800	5.6
93.03310	0.6
95.04881	0.5
97.02811	1.3
97.06434	1.2
99.00741	1.2
99.04370	8.4
99.08012	55.1
99.10486	0.9
100.08337	1.4
101.02315	0.8
101.05930	2.8
107.04884	1.0
109.06457	1.4
111.00724	5.8
111.04380	8.1
118.46999	0.4
123.04388	15.8
125.02311	1.2
127.03872	1.6
129.05449	6.9
130.08568	0.8
136.05161	0.9
136.79733	0.5
138.06709	0.6
139.11157	1.3
143.83917	0.5
153.12723	1.1
155.03366	6.9
161.04474	1.0
163.11232	0.5
165.12750	0.8
167.03372	0.8
167.14301	1.9
173.04463	11.4
175.02312	0.5
177.12756	1.4
179.14328	5.8
183.10138	0.6
183.13852	1.1
185.11696	0.6
193.12326	1.1
195.13861	2.3
199.02400	5.0
205.12358	1.1
209.11867	0.5
211.13266	0.6
217.03479	2.8
223.13367	1.5
227.44284	0.5
256.87106	0.5
267.12363	1.1
285.13449	31.8
286.13849	1.4
311.11423	11.7
312.11520	0.6
329.12439	100.0
330.12772	5.4
330.20425	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57610	1.7
57.03318	23.1
59.01242	100.0
62.29853	1.6
64.27367	1.7
65.03798	1.9
69.03297	3.2
71.01243	10.9
71.04870	5.9
72.99169	2.7
73.02802	2.5
76.12989	1.8
81.03323	7.7
83.04871	13.8
91.72779	3.0
93.03319	5.5
97.02805	19.7
99.04366	21.1
99.08010	84.7
100.08319	2.7
107.08558	1.9
109.02835	2.1
109.06432	3.8
111.04383	19.6
111.08032	6.4
113.02299	2.1
113.09572	15.7
115.03857	15.4
121.06474	3.4
123.04398	4.3
123.08023	9.1
125.09584	9.7
127.03864	3.0
129.05521	2.2
130.96434	2.0
135.04352	2.6
137.02338	4.1
137.06010	2.0
137.09546	2.4
139.07500	5.5
139.11189	6.5
143.03374	8.9
146.03627	2.7
151.07516	4.6
151.11191	3.0
155.07076	5.7
157.08595	4.1
161.13246	3.4
162.00407	2.2
167.03423	6.0
167.14311	11.4
174.03177	8.4
175.02374	4.9
177.12753	2.8
178.19276	2.0
179.14317	16.4
189.12843	2.5
193.12317	10.7
195.06572	8.3
197.15413	3.6
202.02713	6.8
205.12254	13.6
209.07994	2.4
211.13321	38.0
223.13354	23.4
224.13609	2.3
230.02167	11.2
233.11884	6.0
237.11263	4.5
241.14432	76.7
242.14844	4.9
249.11374	5.1
251.12807	3.1
258.01627	16.0
267.12363	23.8
269.14069	11.1
285.13498	23.1
286.01199	19.3
287.01855	2.6
293.10263	4.1
301.03448	10.2
311.11429	33.4
312.11557	2.6
315.01471	2.6
328.99115	2.4
329.03046	53.0
329.12433	80.5
329.15924	4.1
329.28656	2.5
330.03775	6.8
330.12741	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	329.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57610	1.7
57.03318	23.1
59.01242	100.0
62.29853	1.6
64.27367	1.7
65.03798	1.9
69.03297	3.2
71.01243	10.9
71.04870	5.9
72.99169	2.7
73.02802	2.5
76.12989	1.8
81.03323	7.7
83.04871	13.8
91.72779	3.0
93.03319	5.5
97.02805	19.7
99.04366	21.1
99.08010	84.7
100.08319	2.7
107.08558	1.9
109.02835	2.1
109.06432	3.8
111.04383	19.6
111.08032	6.4
113.02299	2.1
113.09572	15.7
115.03857	15.4
121.06474	3.4
123.04398	4.3
123.08023	9.1
125.09584	9.7
127.03864	3.0
129.05521	2.2
130.96434	2.0
135.04352	2.6
137.02338	4.1
137.06010	2.0
137.09546	2.4
139.07500	5.5
139.11189	6.5
143.03374	8.9
146.03627	2.7
151.07516	4.6
151.11191	3.0
155.07076	5.7
157.08595	4.1
161.13246	3.4
162.00407	2.2
167.03423	6.0
167.14311	11.4
174.03177	8.4
175.02374	4.9
177.12753	2.8
178.19276	2.0
179.14317	16.4
189.12843	2.5
193.12317	10.7
195.06572	8.3
197.15413	3.6
202.02713	6.8
205.12254	13.6
209.07994	2.4
211.13321	38.0
223.13354	23.4
224.13609	2.3
230.02167	11.2
233.11884	6.0
237.11263	4.5
241.14432	76.7
242.14844	4.9
249.11374	5.1
251.12807	3.1
258.01627	16.0
267.12363	23.8
269.14069	11.1
285.13498	23.1
286.01199	19.3
287.01855	2.6
293.10263	4.1
301.03448	10.2
311.11429	33.4
312.11557	2.6
315.01471	2.6
328.99115	2.4
329.03046	53.0
329.12433	80.5
329.15924	4.1
329.28656	2.5
330.03775	6.8
330.12741	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	329.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.4
59.00079	2.0
59.01242	100.0
59.02602	0.9
60.01582	0.6
63.54887	0.2
71.01239	5.0
71.34409	0.2
73.02798	2.1
77.82121	0.2
81.03320	0.2
83.01249	1.2
85.02804	2.7
87.00729	0.3
89.02303	0.4
95.01276	0.4
99.00731	0.9
101.02306	4.4
102.20329	0.2
103.89833	0.2
108.02054	0.5
109.02821	2.6
111.00775	0.3
113.02316	2.1
119.04952	0.3
121.02835	0.4
134.78627	0.2
135.04424	1.0
137.02318	4.1
141.05516	0.2
143.03447	0.3
145.02878	0.5
147.04390	1.4
149.06026	0.6
158.03578	0.2
159.02911	0.5
161.04449	4.6
163.03992	0.6
167.03423	0.6
175.00380	0.2
175.03917	2.7
175.50647	0.2
176.04617	0.2
217.95703	0.2
219.49390	0.2
220.03810	0.8
250.06448	0.5
267.06628	4.5
268.07135	0.3
269.10324	4.7
270.10858	0.3
285.04303	0.6
285.07816	2.5
285.37619	0.2
290.94623	0.2
329.03314	0.3
329.06815	0.7
329.12811	0.4
330.06918	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	329.1243
Annotation	(1'S,2'R)-1'-(4-Hydroxyphenyl)propane-1',2'-diol 2'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.52437	0.4
55.01742	1.0
56.96986	1.1
56.97246	0.8
57.03295	1.6
58.00460	0.4
59.00055	0.6
59.01243	25.1
71.01238	20.6
72.99151	0.9
73.02811	7.3
75.00710	0.8
78.05035	0.4
83.01231	4.0
85.02808	11.3
87.00723	2.2
89.02299	11.3
91.73452	0.4
93.03314	2.2
95.01237	1.8
96.95885	2.8
99.00717	2.1
101.02305	20.2
103.17702	0.5
106.04099	1.2
107.04887	7.6
108.02016	0.9
109.02769	0.6
113.02300	9.7
118.50673	0.5
119.03352	4.7
119.04842	0.8
123.00726	0.6
123.04398	1.7
125.02299	0.6
131.03401	1.2
142.05058	0.5
143.03384	0.7
147.04446	0.6
149.05998	3.8
152.01041	3.2
153.01762	1.1
159.02863	1.1
161.04416	3.8
167.03416	6.8
167.07039	100.0
168.07408	2.5
171.06665	0.6
179.05544	0.5
221.06625	0.9
241.05093	1.0
293.12482	10.8
294.12784	0.7
329.12439	46.7
330.12808	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	329.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55485	1.3
55.55726	1.0
58.54183	0.9
59.01244	5.8
62.68830	0.6
71.01199	0.8
76.09663	0.7
84.35395	0.6
91.05426	0.7
93.03320	1.4
103.05466	0.7
105.03313	1.1
108.02023	1.4
109.02793	1.9
111.00756	1.0
115.05434	0.9
117.03333	1.7
121.02826	10.6
122.03607	4.2
123.00694	1.2
123.04367	1.5
124.01516	1.4
130.04128	1.0
131.04897	2.3
133.02785	0.8
134.03596	1.4
135.04352	4.4
136.05133	2.4
137.02338	1.4
137.06027	0.9
143.04913	3.0
147.04402	10.6
149.02354	3.2
149.05978	0.8
150.03120	10.3
151.03854	1.1
153.05495	1.5
158.03622	10.6
159.04417	37.5
160.05194	84.1
161.02359	1.0
161.05981	32.2
162.03137	0.8
162.06404	0.7
163.03891	10.4
164.04686	9.4
167.07063	0.8
173.05981	8.4
174.06720	1.9
175.07559	61.9
176.00984	1.0
176.04689	1.2
176.07883	2.6
177.01872	1.1
177.05479	13.5
178.06268	21.9
179.03423	2.7
179.06636	0.7
192.07903	5.2
193.08647	6.5
217.93178	0.8
223.09961	0.8
223.12167	0.8
240.04413	0.9
270.01837	1.1
285.03848	1.3
299.01773	0.7
299.05569	0.9
314.07983	0.7
314.11554	3.2
329.03104	3.5
329.06903	3.1
329.13965	100.0
330.14352	6.7
338.11032	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.8
61.86755	0.4
74.21019	0.7
74.21381	0.6
78.39265	0.7
80.37270	0.8
89.27372	0.4
91.41060	0.4
93.03281	1.4
108.01992	0.6
109.02792	1.3
119.04891	9.2
121.02817	21.0
123.00700	1.7
123.04349	0.6
128.51297	0.5
133.01971	0.5
133.02821	4.8
134.03540	1.2
135.04399	4.2
136.01530	5.9
145.02783	0.6
146.06532	0.6
147.04408	8.5
151.00279	4.5
151.03880	4.6
152.00981	0.7
159.04422	2.5
161.02354	0.6
163.03894	8.3
167.07051	0.5
172.16989	0.5
174.02969	0.5
177.01794	1.7
179.03386	1.6
183.04594	0.6
195.40553	0.5
196.05141	1.5
197.05939	0.9
201.65236	0.5
209.05887	1.1
211.03952	1.8
212.04727	4.3
213.08839	0.7
222.06914	0.9
223.07503	1.8
223.77843	0.4
225.05608	3.1
225.09135	1.0
226.06261	2.1
227.10750	0.7
235.07640	0.5
237.05531	1.0
238.15581	0.5
239.03432	0.6
239.07114	0.7
240.04272	4.9
240.07864	0.8
241.08736	2.6
243.10194	1.8
251.07114	2.0
252.07777	0.8
253.05042	2.0
253.08762	2.6
254.05829	8.2
255.06236	0.8
255.10191	0.8
263.07162	1.1
267.06705	0.5
268.07373	1.2
269.08200	70.3
270.08572	4.4
271.09756	8.1
281.08215	10.1
282.08948	1.4
283.09686	1.5
285.04041	0.6
286.04636	1.1
298.08276	0.7
299.09250	57.4
300.09494	2.7
313.10895	0.9
314.11615	70.2
315.11908	4.5
329.06967	13.9
329.13950	100.0
330.07172	1.3
330.14282	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	329.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55485	1.3
55.55726	1.0
58.54183	0.9
59.01244	5.8
62.68830	0.6
71.01199	0.8
76.09663	0.7
84.35395	0.6
91.05426	0.7
93.03320	1.4
103.05466	0.7
105.03313	1.1
108.02023	1.4
109.02793	1.9
111.00756	1.0
115.05434	0.9
117.03333	1.7
121.02826	10.6
122.03607	4.2
123.00694	1.2
123.04367	1.5
124.01516	1.4
130.04128	1.0
131.04897	2.3
133.02785	0.8
134.03596	1.4
135.04352	4.4
136.05133	2.4
137.02338	1.4
137.06027	0.9
143.04913	3.0
147.04402	10.6
149.02354	3.2
149.05978	0.8
150.03120	10.3
151.03854	1.1
153.05495	1.5
158.03622	10.6
159.04417	37.5
160.05194	84.1
161.02359	1.0
161.05981	32.2
162.03137	0.8
162.06404	0.7
163.03891	10.4
164.04686	9.4
167.07063	0.8
173.05981	8.4
174.06720	1.9
175.07559	61.9
176.00984	1.0
176.04689	1.2
176.07883	2.6
177.01872	1.1
177.05479	13.5
178.06268	21.9
179.03423	2.7
179.06636	0.7
192.07903	5.2
193.08647	6.5
217.93178	0.8
223.09961	0.8
223.12167	0.8
240.04413	0.9
270.01837	1.1
285.03848	1.3
299.01773	0.7
299.05569	0.9
314.07983	0.7
314.11554	3.2
329.03104	3.5
329.06903	3.1
329.13965	100.0
330.14352	6.7
338.11032	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1761
Annotation	Sarcostolide A
Peak:m/z	Relative Intensity
56.95685	1.0
59.01235	6.9
59.01463	0.7
69.16243	0.9
79.58492	1.0
100.89500	1.0
107.13824	1.0
108.02013	5.3
121.02773	1.1
122.03613	1.2
125.09618	1.0
133.01305	2.9
137.02377	1.6
137.05971	7.4
153.09103	100.0
154.09441	3.9
161.05974	17.1
163.07555	7.9
167.06995	1.3
172.33682	1.1
175.07625	1.5
176.08337	78.2
177.08705	3.0
177.18102	1.1
185.06023	1.6
201.09085	1.3
201.12473	1.1
215.40344	1.1
227.10686	2.4
228.11479	6.8
229.12201	1.9
238.02417	1.2
242.13158	3.7
245.08269	1.4
270.16171	1.4
285.18604	24.2
286.18881	2.0
298.40497	1.2
311.16531	1.8
329.13498	4.3
329.17557	34.9
329.23645	1.7
329.28387	7.2
330.18188	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	329.189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51551	1.1
59.01246	9.2
65.05184	1.1
79.03986	1.3
90.51626	1.2
105.12125	1.2
135.43875	1.4
195.13864	4.9
223.13440	4.3
256.13181	3.0
275.20154	3.4
290.11893	1.4
293.21240	100.0
294.21637	5.3
310.47006	1.7
327.09903	1.4
329.13528	2.0
329.23273	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	329.2124
Annotation	17-Hydroxy-3-oxo-19-nor-5alpha,17alpha-pregnane-21-carboxylic acid, gamma-lactone
Peak:m/z	Relative Intensity
51.12786	0.4
51.42102	0.4
55.80844	0.4
58.31930	0.4
59.01227	1.1
65.03800	1.4
68.95395	0.4
76.50732	1.1
76.51180	0.9
79.05372	0.9
81.03316	0.7
83.04865	0.8
92.02539	2.5
93.03315	4.1
95.01228	1.1
98.36941	0.5
98.51649	0.6
104.62392	0.5
106.04105	7.9
107.04892	35.2
108.02046	2.7
109.02786	1.5
111.04396	0.6
119.04892	8.2
121.02821	19.2
122.03110	0.6
133.06363	0.7
137.02267	1.5
143.04865	0.6
168.23990	0.5
221.15439	0.7
285.22247	72.0
286.22653	5.5
329.21237	100.0
329.28311	2.9
330.21652	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	329.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13577	0.6
59.00050	1.9
59.01242	100.0
59.02571	1.4
59.88345	0.5
60.62963	0.5
60.64955	0.6
64.25849	0.6
67.50875	0.7
75.00721	0.7
85.98938	0.6
87.11987	0.7
93.03326	1.3
98.07225	0.7
111.04385	1.9
128.90012	0.8
155.03363	1.0
158.79660	0.7
162.47263	0.7
169.64200	0.7
170.91077	1.3
175.07651	0.8
177.47737	1.0
179.30603	0.8
197.42456	1.1
269.21252	16.6
270.21243	0.8
285.20837	1.3
287.22293	50.9
288.22607	3.2
299.01996	0.9
329.07074	0.9
329.14090	1.7
329.23361	59.8
329.27838	2.2
330.23669	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99930	1.2
59.01242	100.0
59.02431	1.7
60.01580	0.7
64.68024	0.2
69.49852	0.2
74.57586	0.2
99.07990	0.5
106.22160	0.2
121.02853	0.2
129.09094	0.3
129.31361	0.2
141.12755	1.0
155.14365	0.4
177.47847	0.4
195.17604	0.5
208.65520	0.4
223.20580	0.8
241.21780	0.5
251.20157	0.8
267.19647	1.0
269.21234	91.3
270.21576	4.7
285.20752	0.7
287.22293	41.6
288.22610	2.3
329.23355	77.8
329.98712	0.3
330.23679	5.1
344.56885	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	329.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98676	0.2
57.77471	0.2
59.01239	1.9
60.99976	0.2
80.55025	0.2
81.33352	0.2
85.91615	0.2
91.73352	0.4
93.03317	0.5
96.95873	0.5
97.06448	0.4
99.02474	0.2
112.00123	0.3
123.08027	0.4
125.09600	2.3
126.56776	0.3
127.11164	5.3
139.11189	0.3
141.12732	0.5
143.10645	0.9
149.64836	0.3
153.09094	0.5
155.10704	1.5
157.12236	2.0
168.96806	0.3
169.12265	0.4
170.91095	0.5
171.10167	14.7
172.10538	0.4
191.03487	0.3
200.10526	0.3
247.20496	0.3
249.18729	0.3
253.21744	0.3
269.08163	0.5
283.22797	0.7
293.21222	0.5
299.22241	1.2
311.18671	0.4
311.22272	3.4
314.11490	0.4
327.21799	3.1
329.23340	100.0
330.23676	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	329.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51300	0.3
57.03317	1.0
59.01241	4.3
65.10546	0.6
69.50349	0.3
71.01284	0.4
71.04878	0.5
71.07860	0.4
80.32373	0.4
81.58704	0.4
83.04895	0.5
84.02053	0.3
85.02787	0.4
93.03327	0.7
97.06445	0.7
99.08010	5.2
105.56298	0.4
121.02859	0.6
123.04368	0.4
125.09607	1.5
127.11156	3.3
135.04419	0.8
138.32269	0.4
139.11169	4.1
147.26071	0.4
155.10666	0.6
155.14363	0.8
157.12234	0.5
165.12737	0.6
167.10628	0.5
167.14352	1.2
170.88240	0.4
170.91035	0.8
171.10172	9.8
175.07465	0.6
177.65739	0.4
179.03395	0.6
183.13831	4.1
193.12222	1.9
199.13326	0.5
201.11314	0.5
209.11769	1.1
211.13345	23.3
212.13681	1.0
229.14409	15.3
230.14705	0.7
269.08206	1.0
293.21255	0.9
299.09164	0.7
311.22247	1.4
314.11670	0.6
329.23346	100.0
330.23599	6.7
330.26840	0.7
348.51416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62028	0.5
58.00470	0.9
59.01242	12.4
59.69310	0.5
61.01676	0.8
96.95909	0.8
99.08015	8.4
108.02045	1.2
118.09435	0.7
123.04384	1.6
127.07525	1.6
129.09071	8.3
134.03630	0.7
160.05244	1.1
167.14285	0.7
169.12256	3.1
171.10193	1.0
175.07547	1.1
181.12253	4.6
183.13860	1.4
193.12221	1.3
197.11786	2.0
199.13344	17.2
211.13351	13.7
229.14394	2.1
244.13472	1.0
269.08185	0.9
293.21231	3.3
309.10764	0.7
311.22260	2.3
311.76581	0.9
329.13965	3.6
329.23337	100.0
330.14044	0.8
330.23529	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	329.2334
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
52.90959	1.0
59.00088	2.3
59.01243	100.0
59.02506	1.6
59.76221	0.9
64.92262	0.9
66.89846	0.9
70.08064	0.9
72.32939	0.9
72.33341	1.0
72.70646	1.1
73.02820	5.9
76.86069	1.0
89.02294	0.9
93.03343	2.3
107.80009	1.2
111.04365	3.1
130.04134	1.3
133.04967	1.5
137.02361	1.4
147.10025	1.1
155.03397	1.8
155.37114	1.1
160.05162	1.3
170.88251	1.2
176.01843	1.3
177.47707	1.6
182.29855	1.2
197.42514	1.5
247.01227	1.6
269.21246	10.5
270.21741	1.5
287.22293	51.1
288.22833	2.4
329.13889	3.3
329.23355	67.1
329.28223	3.0
330.23633	4.6
330.26682	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	329.2488
Annotation	7Z, 10Z, 13Z, 16Z, 19Z-docosapentaenoic acid
Peak:m/z	Relative Intensity
58.88015	3.2
59.01244	24.9
63.18711	2.7
66.92833	2.9
79.25567	3.3
85.78986	3.1
144.42192	4.0
220.14525	4.5
231.21210	8.0
235.96481	3.6
236.10719	6.0
251.20328	4.2
275.73392	3.8
285.25912	38.8
315.36526	3.9
329.24890	100.0
329.28055	3.8
330.25287	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	329.2848
Annotation	Cardonol 13
Peak:m/z	Relative Intensity
50.60490	0.2
55.18193	0.2
56.66475	0.2
58.38937	0.2
66.40600	0.2
75.18804	0.2
78.12440	0.2
84.15287	0.2
92.02533	0.7
96.06354	0.2
106.03403	0.3
106.04110	4.3
107.04842	0.3
108.02040	0.4
109.02845	0.2
114.23317	0.2
115.40213	0.2
119.04886	6.1
121.02825	4.0
133.06450	1.7
147.07985	0.4
151.92256	0.2
161.09592	0.4
168.47050	0.3
171.10068	0.2
175.11203	0.9
178.47937	0.2
189.12762	1.8
190.13058	0.3
203.14302	0.7
217.15985	0.5
231.17500	0.4
251.65855	0.3
329.28516	100.0
330.28857	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	330.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.8
59.63636	0.1
72.00773	0.3
81.61171	0.1
82.44225	0.1
88.37881	0.1
93.03332	0.1
102.38971	0.1
114.39826	0.1
136.24158	0.1
137.02321	0.2
169.12251	0.1
171.06497	0.1
217.03896	0.1
223.20677	0.3
225.22168	0.6
239.20135	0.1
241.21941	0.4
251.20195	0.3
252.23335	0.2
253.21828	0.1
264.23322	0.2
266.24942	0.2
269.21234	8.8
270.21658	0.5
271.22827	0.5
280.22906	0.2
282.24380	2.8
283.22498	0.1
283.25064	0.2
294.24515	0.5
295.22745	0.1
298.23901	3.8
299.24316	0.2
300.25537	0.2
310.23871	1.5
312.25467	3.6
313.23825	0.3
330.26520	100.0
331.26865	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	330.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08331	0.2
52.76656	0.2
59.01245	0.2
59.42244	0.2
60.86395	0.2
66.97140	0.2
72.00760	0.6
82.22792	0.2
86.03934	0.2
93.22530	0.2
96.71819	0.2
106.85545	0.2
113.35591	0.2
114.74757	0.2
124.13980	0.2
146.45885	0.3
171.10040	0.3
192.50830	0.2
223.20654	0.3
225.22218	0.8
241.21730	0.4
266.24899	0.4
269.21255	8.3
270.21536	0.6
282.24368	2.7
294.24261	0.4
298.23880	3.2
299.24182	0.3
310.24020	1.5
312.25424	3.2
313.17831	0.4
313.23798	0.5
330.26529	100.0
331.19144	0.7
331.26840	6.8
331.30719	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	331.0097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.8
57.26493	0.9
58.84026	0.6
59.01009	0.6
59.01241	6.7
59.97641	0.6
65.91261	1.4
65.91547	0.7
71.01232	3.1
72.99128	0.6
73.02778	1.5
79.57922	0.6
81.03312	0.6
83.01248	1.1
83.04875	0.9
85.02804	2.0
87.00723	0.9
89.02294	1.3
93.03329	0.9
95.01244	0.7
95.04881	1.0
99.08022	1.5
101.02297	2.4
107.01273	0.9
107.04879	0.7
108.01408	0.7
108.02036	3.0
109.02814	4.0
113.02356	1.2
113.05937	0.8
115.05389	3.1
123.04369	3.0
131.04897	0.9
135.04382	1.8
137.02313	2.4
141.68649	0.6
143.04916	10.8
145.02789	0.7
150.03114	1.7
151.00258	1.1
151.03870	2.3
151.71992	0.7
152.01022	1.0
153.01837	2.0
154.02661	1.1
154.03935	0.7
155.04906	1.1
158.03621	2.0
159.04369	6.8
161.04482	2.8
163.00310	1.1
163.03867	0.8
169.02859	1.7
169.04903	0.7
171.04408	10.9
178.99788	1.8
182.03644	1.9
183.04532	1.0
185.02306	1.2
186.03189	3.7
187.03923	50.9
188.04242	1.7
197.02441	3.3
198.03174	2.1
199.03949	14.8
200.04292	0.8
206.99287	2.8
207.99965	0.8
211.03986	2.1
213.01840	3.2
213.05496	2.3
214.02637	4.5
215.03444	23.6
216.03680	1.0
225.01846	0.8
225.05553	1.4
226.02719	4.2
226.06245	1.0
229.05112	0.8
240.04195	0.8
241.01424	1.4
241.05000	5.1
242.02219	4.0
242.05809	13.5
243.02969	81.9
244.03326	5.2
253.05084	1.7
254.05844	2.0
257.08237	3.6
259.02496	0.8
268.03772	1.5
269.01468	0.8
269.04572	2.8
269.14056	2.1
283.06168	2.1
286.04895	1.3
287.01987	100.0
287.08884	7.1
288.02322	6.5
301.07220	11.3
313.07132	3.0
313.13058	1.0
316.05875	1.9
331.01013	17.2
331.04636	2.0
331.08212	20.5
331.13901	4.0
331.17706	3.2
332.08667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0461
Annotation	Vaccaxanthone
Peak:m/z	Relative Intensity
51.63595	0.3
59.01248	2.1
67.34689	0.3
67.50706	0.4
71.01189	0.6
74.40822	0.6
74.41249	0.6
81.03298	0.7
85.02758	0.4
91.72726	0.3
93.70953	0.3
95.60496	0.3
99.07999	0.4
108.02012	0.5
109.02787	1.3
114.07226	0.3
120.99461	0.3
121.02832	0.4
123.04347	1.4
124.04716	0.9
125.02266	1.2
135.04378	0.5
137.02280	0.5
139.00262	0.3
143.04916	0.7
151.00185	0.9
152.00975	0.7
153.01846	0.5
154.02512	0.4
157.06531	0.5
159.04326	0.5
161.02335	0.6
167.03427	2.9
168.03709	1.8
169.03909	1.6
169.06459	1.2
171.04420	0.5
175.03906	0.4
182.03699	0.3
185.02362	0.8
185.06006	4.0
187.03940	1.6
191.03497	0.4
193.03845	0.5
195.04419	0.9
196.05197	0.6
197.05946	1.8
198.03223	0.5
199.03920	1.3
200.08382	0.7
211.03886	1.5
212.04880	0.6
213.05527	14.0
214.05867	0.7
215.03433	1.9
222.95386	0.4
223.03978	1.0
224.04634	0.6
225.05562	2.6
226.02673	1.4
227.03470	0.8
227.52681	0.4
230.05492	0.4
239.03389	0.5
240.04211	4.0
241.05022	9.1
242.02185	2.0
242.05312	0.8
243.02994	5.0
252.04182	0.4
259.02524	2.0
267.07935	0.4
268.03876	0.7
269.04578	100.0
270.04941	6.2
271.02499	30.1
272.02933	1.9
287.01971	1.2
287.04941	0.4
331.04633	40.0
331.07968	1.4
331.17639	0.6
332.04944	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	331.067
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.52803	0.3
53.58314	0.4
57.29612	0.6
57.29856	0.4
57.49628	0.5
63.50444	0.3
66.96427	0.3
68.99669	0.3
69.03309	2.3
72.99165	0.9
78.82275	0.3
79.01723	0.4
81.03300	1.1
83.01231	1.0
87.00732	0.4
91.73346	0.7
93.03287	0.5
95.01241	0.9
97.02803	2.8
104.90461	0.6
107.01269	2.0
107.01877	0.4
107.04902	0.7
108.02037	0.5
109.02820	0.5
110.35253	0.3
121.06438	0.3
123.00744	3.9
123.04333	0.7
124.01533	12.2
125.02312	49.0
125.05849	0.9
126.02650	1.1
135.04442	0.4
137.02330	0.7
149.02332	0.4
149.99474	23.4
151.00270	6.3
152.00722	0.4
160.86865	0.3
165.05328	0.3
167.03415	1.2
167.94383	0.6
168.00542	50.8
169.01331	22.3
170.01744	0.7
179.03400	0.3
187.07597	0.5
200.04724	0.6
215.06992	0.6
228.04346	2.0
243.06573	5.0
244.06938	0.8
255.05023	0.4
287.41907	0.3
313.05698	6.8
313.09308	0.7
314.68381	0.4
331.06723	100.0
332.07092	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	331.0823
Annotation	3'-Deoxydryopteric acid
Peak:m/z	Relative Intensity
53.56972	0.9
53.57196	0.4
56.06826	0.3
59.09576	0.8
64.66597	0.4
80.53263	0.4
91.72731	1.1
93.03304	4.4
98.01934	0.4
106.00460	0.5
106.04149	0.7
108.02039	2.3
121.02821	14.1
122.00123	0.7
122.03605	55.0
122.07555	0.6
123.00739	1.7
123.03938	1.0
124.01535	9.3
125.02314	0.7
136.01543	25.4
136.05229	0.5
137.02296	0.8
137.05978	1.2
149.99472	0.4
153.01848	0.5
154.02658	0.6
165.01849	3.4
166.02614	52.6
167.02972	1.5
168.00554	0.9
168.04156	0.5
175.11272	0.4
180.04236	0.4
181.05032	0.7
198.01630	48.5
199.01988	1.5
227.07118	0.9
228.07878	4.6
241.81300	0.4
242.12341	0.4
243.10268	6.8
244.10640	0.5
268.94150	0.4
269.08334	0.5
271.06235	0.7
272.06918	6.8
273.07233	0.5
286.96579	1.0
287.09268	100.0
288.09595	6.3
300.47293	0.4
301.10739	0.9
305.49625	0.4
331.08264	8.5
331.11746	0.5
332.08533	0.6
336.53323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02254	0.3
56.34689	0.3
56.75187	0.3
59.01234	1.0
63.12317	0.2
65.99710	1.7
67.01746	1.2
79.01754	0.7
80.02522	1.1
81.03316	10.0
91.01752	0.6
93.03324	0.3
95.01244	3.0
97.02826	0.5
101.02330	0.4
107.01246	7.1
108.02032	22.0
108.99760	1.4
109.02814	100.0
109.56377	0.3
110.03158	2.0
121.02802	0.9
123.00758	4.0
123.04391	0.5
125.02317	11.3
131.25179	0.4
137.02292	0.8
142.02049	0.3
145.02901	0.6
146.03635	1.7
149.05911	0.6
150.95259	0.9
151.00258	56.8
152.01045	55.9
152.96701	1.0
153.01823	86.2
154.02138	1.9
161.05962	0.4
162.03123	0.8
164.04645	0.9
167.03436	0.9
179.07036	1.4
184.05173	0.3
187.03865	0.3
190.02571	0.4
225.05406	0.3
287.09451	0.6
301.07178	4.5
313.07220	4.2
331.04639	0.6
331.08307	7.1
331.11960	0.6
331.18082	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0825
Annotation	Morintrifolin A
Peak:m/z	Relative Intensity
56.58353	0.6
59.01208	3.3
60.38757	0.6
66.36010	0.6
67.28786	0.8
70.33960	0.8
70.62991	0.6
71.01218	1.4
71.07549	0.7
79.59489	0.6
85.02773	0.8
89.02286	1.6
95.04793	0.7
101.02278	0.8
108.02015	2.5
109.02823	1.5
111.00741	0.9
112.39001	0.7
121.02821	1.2
122.03577	1.7
123.04401	8.6
124.01499	1.9
135.04379	2.9
136.01492	2.0
137.02269	2.1
139.00230	1.1
145.02827	2.2
146.03627	1.0
149.02365	1.4
150.03128	9.8
151.03891	15.6
152.01036	0.9
163.03882	3.5
164.00995	3.9
166.99670	1.1
171.04388	2.6
172.05179	2.7
176.01028	1.7
177.01837	5.4
178.99712	1.8
185.05965	3.3
195.02876	1.7
195.04495	1.0
196.05037	0.8
197.05963	3.3
198.06844	1.0
199.03889	3.9
200.04643	1.3
208.05287	1.0
209.05954	1.2
211.03932	0.9
213.05513	14.0
214.06197	2.1
224.04836	2.5
225.05510	9.2
226.06271	6.8
227.06752	1.0
237.05516	6.7
238.06311	2.5
240.04346	3.6
241.05035	30.4
242.05809	100.0
243.06253	5.9
253.05026	8.2
253.07744	0.9
253.08633	0.9
254.05847	12.8
257.08176	21.8
258.08737	1.0
269.08279	1.1
272.06876	2.4
286.04776	2.0
287.09250	37.4
288.09583	2.6
298.04871	4.6
301.07172	66.2
302.07611	2.8
313.07211	17.2
331.08240	58.6
332.08670	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1036
Annotation	Koaburaside
Peak:m/z	Relative Intensity
54.60061	0.3
57.29878	0.3
59.01242	1.9
59.69268	0.3
61.06224	0.3
65.00187	0.5
71.01237	1.1
83.01225	0.4
87.00744	1.1
89.02312	0.7
93.03310	1.0
93.75500	0.4
96.95879	1.4
101.02278	0.7
105.01855	0.5
108.02016	1.1
109.02814	1.0
111.00761	1.8
115.46084	0.4
120.99506	0.4
121.02810	2.2
123.04386	0.6
127.72794	0.4
131.99255	0.3
135.04384	0.7
136.01537	0.5
137.02313	1.5
138.96211	1.0
139.00247	100.0
139.04858	1.0
140.00581	2.6
153.01819	3.0
154.02608	82.6
155.02911	2.5
161.04417	0.5
169.04964	85.1
170.05264	2.5
171.04408	0.4
226.06361	0.5
242.05580	0.5
243.02992	0.7
243.06664	3.4
287.05667	4.7
316.07980	0.4
331.10828	1.9
331.13669	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	331.1038
Annotation	Koaburaside
Peak:m/z	Relative Intensity
52.70076	0.6
59.01237	4.9
63.96099	4.4
67.40352	0.7
70.40107	0.8
71.01236	7.2
71.90851	0.8
72.99172	2.8
73.02804	3.4
79.93278	0.8
83.01234	1.8
85.02801	2.6
89.02290	16.8
93.03329	1.0
95.01251	0.9
96.69665	0.8
96.95847	1.4
99.00701	0.8
101.02306	4.2
108.02029	1.6
109.02798	1.8
111.00751	10.9
113.02311	3.9
121.19709	0.8
123.04428	1.2
125.02344	1.4
134.03647	2.4
134.57219	0.7
135.04391	16.3
137.02321	2.8
138.95535	1.2
139.00247	92.0
140.00580	2.4
149.05931	1.8
151.03911	1.1
152.98512	20.1
152.99715	1.4
153.01852	4.4
154.02605	100.0
154.41066	0.7
155.02979	1.3
159.02831	0.9
159.04347	0.8
161.04453	2.3
161.05974	3.3
169.04964	81.8
169.10619	1.1
170.05316	2.6
179.03369	4.1
199.00592	1.1
205.05017	1.0
222.34061	0.8
227.03703	1.2
243.06680	1.5
255.02928	1.6
287.02322	1.5
293.12415	2.5
331.04590	0.9
340.53888	0.8
351.87772	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32495	0.3
57.03292	1.3
59.01241	16.7
59.02410	0.5
60.99155	0.7
65.66898	0.3
67.01742	3.7
69.03292	1.2
71.01237	4.1
71.04842	0.3
72.99163	0.4
73.02792	0.5
75.00723	0.5
80.92516	0.4
81.03308	1.0
83.04857	1.9
85.02797	0.9
87.00723	0.7
87.17701	0.3
88.64578	0.4
91.25477	0.4
93.03313	26.6
93.05627	0.4
94.03663	0.9
99.00739	0.6
109.02794	1.0
111.00741	1.2
111.04372	6.0
111.08011	0.6
113.02301	0.8
113.05891	0.5
123.04414	0.6
125.05946	0.5
128.03391	1.3
137.02321	10.1
138.02676	0.4
155.03397	4.7
157.04974	0.7
157.08598	15.7
158.30434	0.3
173.04457	100.0
173.10400	1.3
174.04797	2.8
228.66954	0.4
229.91252	0.3
253.14427	0.3
268.07434	0.8
283.09778	1.3
287.11169	0.4
316.53757	0.3
331.14035	13.1
331.17484	0.7
332.14337	0.7
340.94986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.5
58.00462	1.6
58.99932	1.3
59.01242	100.0
59.02385	2.0
60.01574	1.1
68.91740	0.5
71.01240	49.0
71.02769	0.7
72.01562	0.6
72.99171	2.8
73.02803	1.5
78.29813	0.5
83.01248	2.3
85.02798	9.5
87.00744	2.4
88.99887	1.0
89.02297	69.7
89.04450	1.0
93.03313	1.8
94.34938	0.5
95.01248	2.8
101.01643	1.4
101.02309	29.0
107.08526	91.4
107.11386	1.4
108.08886	1.7
109.06462	0.7
113.02308	21.4
119.03371	29.3
121.78621	0.6
125.02383	0.8
131.03362	2.9
137.02351	1.7
143.03381	4.2
149.04477	2.6
157.04936	0.7
161.04416	3.9
174.97180	0.6
179.03491	0.8
179.05533	6.3
183.01053	0.7
184.28629	0.7
209.08255	0.8
225.05896	0.7
243.06937	2.6
301.16144	0.7
331.14014	21.1
332.14340	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99960	0.3
53.61267	0.3
54.92739	0.5
58.12323	0.4
58.99947	1.4
59.01242	100.0
59.02381	1.7
60.06356	0.4
63.57189	0.6
71.01231	6.1
72.99167	0.7
73.02804	6.3
75.00756	0.4
77.92629	0.4
81.03316	0.6
83.01260	1.5
83.04920	0.5
85.02820	1.4
87.00726	0.5
89.02299	7.5
93.03323	1.5
95.01256	0.5
97.02815	0.4
99.04383	0.6
101.02301	7.1
108.55083	0.4
113.02311	3.2
119.03378	2.5
124.45815	0.5
137.02315	3.9
143.03403	0.6
161.04459	0.7
165.43602	0.4
179.05615	0.5
213.14955	1.3
253.14268	0.8
271.01358	1.4
271.15588	2.2
287.12994	1.1
288.01004	0.6
316.02472	0.7
331.11969	1.8
331.19272	3.9
331.24585	0.7
332.12198	0.5
337.86768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.6
59.00154	1.3
59.01242	100.0
59.02501	1.7
60.01577	1.1
71.01238	7.8
71.04907	0.3
73.02803	3.4
83.01239	1.6
85.02807	4.7
85.03304	0.3
87.00738	0.4
89.02309	0.7
93.03320	0.6
95.01266	0.8
95.40635	0.2
96.74024	0.2
97.02822	0.2
99.00739	1.3
101.02303	6.1
101.02950	0.3
113.02293	3.3
114.02697	0.2
127.11236	0.5
135.98175	0.2
137.02383	0.9
138.05473	0.2
139.78857	0.2
143.03352	0.3
159.02834	1.2
161.04442	3.3
199.44353	0.2
216.50162	0.2
218.66116	0.2
289.16602	2.9
331.19177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1763
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
50.18423	0.4
57.03318	1.4
58.99918	0.8
59.01243	100.0
59.02424	1.9
60.01578	1.0
63.57828	0.5
65.10463	0.3
67.49863	0.4
67.50702	0.4
69.03321	0.9
71.01241	5.4
71.04896	1.4
72.99179	0.5
73.02821	1.9
81.03313	4.1
83.01257	1.5
83.04874	2.5
85.02812	2.4
89.02322	1.5
93.03300	2.5
95.04886	1.5
97.02828	1.8
97.06493	0.9
99.04377	6.4
99.08002	3.9
101.02305	4.4
107.04900	0.5
113.02339	1.7
113.05968	1.5
115.03882	6.0
119.03393	0.5
120.91907	0.4
120.99494	0.6
123.08034	0.5
125.02367	0.8
135.04424	0.5
137.02301	4.5
139.03951	1.2
139.11191	0.4
143.03429	1.4
151.00279	0.7
155.07095	0.6
161.04449	0.8
161.13271	2.5
165.05577	0.6
167.10728	0.7
169.04977	0.6
169.12323	0.7
173.04472	0.7
179.10767	0.7
191.14322	2.8
195.13948	0.8
197.11836	1.8
207.13953	1.4
207.34274	0.7
209.11710	0.5
209.15494	1.6
216.30496	0.5
225.14909	2.8
235.13348	5.2
236.13951	0.5
239.12999	1.0
246.33990	0.4
251.12776	0.4
253.14447	14.9
253.16995	0.8
254.14822	0.6
259.02466	1.1
269.13934	9.9
270.14395	0.7
271.02356	0.6
271.15527	21.5
272.15970	1.4
301.07211	0.5
313.13092	2.0
316.02386	0.6
331.04614	0.8
331.14087	9.1
331.17993	1.8
332.14386	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.2
55.51453	0.5
55.89909	0.5
57.03301	2.7
58.00447	1.1
58.92150	0.6
59.00100	1.3
59.01242	67.3
59.02483	1.2
60.01562	0.7
63.12354	0.6
70.54434	0.5
70.99746	0.9
71.01240	60.0
71.02895	0.8
72.01564	0.9
72.99171	3.1
73.02805	17.6
74.19595	0.5
74.89823	0.5
75.49477	0.5
77.24222	0.6
83.01244	10.1
85.02803	24.9
85.68687	0.5
86.26774	0.5
87.00259	0.7
87.00697	2.9
89.00175	0.7
89.02296	36.6
89.04633	0.6
89.31692	0.5
95.01248	4.5
97.02801	0.8
99.00732	5.7
100.47540	0.6
101.02302	65.3
101.05137	0.7
103.55166	0.6
113.02306	28.5
119.03362	12.9
125.02318	1.6
129.01785	1.1
131.03380	1.3
137.02313	1.3
143.03380	4.4
149.04407	1.0
153.01846	0.7
159.02899	5.5
161.04449	45.3
162.04852	0.9
169.05188	0.8
169.12227	5.5
176.71478	1.3
179.05569	4.6
189.66389	0.7
197.41812	0.6
229.14252	1.0
246.30675	0.7
286.90741	0.6
287.13379	0.7
319.12723	0.6
331.17642	100.0
332.18033	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	331.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.7
57.02333	0.5
57.03313	2.1
58.00460	2.1
59.00093	1.6
59.01242	100.0
59.02532	1.4
59.12762	0.5
60.01567	1.2
71.01239	76.9
71.02920	0.9
71.68168	0.7
72.01581	0.7
72.99164	4.0
73.02802	10.7
75.00739	1.0
81.03294	1.1
83.01233	5.9
85.02807	21.6
87.00740	4.6
89.00174	1.3
89.02296	78.6
89.04648	0.9
90.02620	1.1
91.72790	0.9
93.03322	1.8
95.01250	4.9
96.95894	1.4
97.02811	1.0
99.00738	5.0
101.02301	60.4
102.02668	0.9
104.75595	0.6
108.02040	2.2
109.02821	6.0
112.99378	0.6
113.02306	37.7
113.05707	0.7
119.03368	33.0
120.99529	2.9
121.02828	1.4
123.00752	0.8
123.04411	1.4
125.02322	2.5
129.01790	0.9
131.03339	3.9
135.04417	0.9
137.02318	2.1
143.03389	8.0
143.31767	0.7
149.04443	2.6
151.00272	2.5
152.01079	4.9
153.01863	5.3
159.02879	3.7
161.04448	43.4
162.03200	0.8
162.04805	1.3
163.03877	1.3
164.04649	1.2
167.03348	0.7
169.12254	3.4
175.03947	0.9
176.71524	1.0
178.99785	1.3
179.05519	14.1
187.03859	1.2
199.03917	0.8
205.03488	0.7
209.11751	1.3
214.02875	1.0
215.03311	1.2
243.03040	0.8
243.06552	1.6
243.10609	2.0
259.13257	0.8
287.02374	1.3
287.05588	2.7
287.09082	1.4
287.12784	0.9
299.05634	1.0
301.10724	1.6
331.04712	1.4
331.08362	2.8
331.12170	6.7
331.17639	78.7
332.18030	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	331.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82029	0.5
57.03308	0.9
58.22217	0.4
59.00043	1.6
59.01243	100.0
59.02576	1.2
60.01582	0.5
63.02255	1.1
63.58026	0.8
67.01775	0.7
68.67206	0.6
69.03333	1.0
71.01246	2.2
71.04883	0.6
75.00784	0.6
81.03304	3.4
83.01274	1.4
83.04897	1.2
84.02029	0.6
85.02824	1.7
87.00747	0.8
89.02314	0.8
92.10839	0.5
93.03328	2.1
95.01263	1.3
97.02826	1.3
99.04379	5.9
101.02298	3.2
107.01253	1.1
109.06507	0.7
111.04354	0.8
115.00221	0.6
115.03881	5.4
123.00762	1.4
125.05968	0.7
137.02361	2.4
137.09607	0.8
139.00223	0.8
143.03363	1.0
147.11678	3.5
147.21233	0.6
148.03986	0.8
149.02382	1.0
151.00252	3.1
157.04950	0.6
163.00336	0.6
166.99858	1.2
169.12244	1.0
173.04573	1.3
175.02489	0.8
178.99763	4.5
191.14388	1.2
194.99344	0.9
197.11826	1.3
206.99380	1.2
207.13756	0.8
209.15399	1.3
215.03459	0.8
220.62869	0.9
231.03104	1.0
235.13416	4.5
253.14473	12.0
259.02551	0.9
269.14130	0.6
271.15555	18.6
272.15918	0.8
295.11969	1.3
313.13074	0.7
321.32498	0.7
331.13889	1.8
331.18280	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	331.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.7
59.00034	1.7
59.01243	100.0
59.02608	1.1
60.25658	0.5
63.57578	0.6
63.63978	0.6
65.03807	0.5
69.03313	0.7
71.01235	2.6
71.04886	2.0
73.78910	0.5
75.43155	0.5
80.27445	0.5
81.03313	6.3
83.01238	1.2
83.04889	0.6
84.02029	0.8
85.02834	1.5
87.00751	0.6
93.03302	0.7
97.02816	2.5
99.04375	10.9
101.02301	3.4
107.04886	1.0
113.02277	0.8
114.39681	0.6
115.03867	9.8
119.08537	17.5
134.07275	1.4
135.08023	1.2
137.02325	0.9
137.09607	4.0
143.03378	2.3
145.06529	1.8
163.07539	21.7
164.07770	0.6
165.00662	0.6
180.28677	0.7
181.08624	10.5
185.11737	0.7
191.14279	1.1
191.74095	0.7
199.09683	0.9
207.34303	0.8
219.23033	0.6
235.13347	2.0
253.14432	9.5
271.15518	33.5
272.15866	1.7
299.54199	0.6
300.00589	0.7
310.70282	0.6
331.08035	0.7
331.12888	0.6
331.18768	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	331.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18972	0.2
59.01242	25.8
59.01522	0.9
59.01657	0.7
59.02396	0.5
62.06454	0.2
71.01206	0.3
75.23579	0.2
78.00123	0.2
83.04845	0.5
85.90475	0.2
93.03286	1.1
95.42330	0.2
104.19592	0.2
107.04872	0.6
127.33521	0.3
136.87286	0.3
137.02315	1.9
147.04370	0.5
161.05887	0.4
177.16322	0.3
205.19574	1.2
223.92233	0.4
231.17484	1.0
231.24074	0.2
247.16951	0.5
249.18584	100.0
249.28706	1.0
250.18922	5.0
250.21199	0.2
271.15399	0.3
278.97250	0.3
287.17078	0.4
287.20166	4.8
331.18970	19.9
331.22452	0.8
332.19391	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1916
Annotation	Carnosic acid
Peak:m/z	Relative Intensity
57.03291	1.2
59.01241	2.7
64.23407	0.4
71.01219	0.5
77.00405	0.8
78.18449	0.4
82.16995	0.4
89.27064	0.4
93.03286	1.4
106.04107	3.2
107.04896	5.3
113.09571	1.1
119.04887	10.4
119.05656	0.4
119.08510	0.4
121.02826	3.6
127.11163	1.0
133.06464	6.7
137.02306	1.7
138.18233	0.4
139.11168	0.4
145.06470	0.5
147.08009	2.3
151.10014	0.5
159.08044	1.1
161.09586	1.1
175.11177	1.0
187.07564	0.7
189.09145	13.9
189.12717	0.6
205.12280	27.8
206.12637	1.0
207.10138	1.6
217.12282	7.4
231.13910	0.6
245.19403	0.5
259.20639	0.8
269.19034	1.0
280.85181	0.4
287.20187	69.4
288.20441	3.2
331.19177	100.0
332.19540	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	331.1916
Annotation	Carnosic acid
Peak:m/z	Relative Intensity
54.28735	0.7
56.00105	0.6
57.03305	1.9
59.46799	0.6
65.03819	1.7
65.88098	0.6
67.74858	0.6
79.05406	0.6
83.04868	1.2
93.03324	6.5
95.04865	0.9
99.17862	0.7
106.04149	1.1
107.04890	42.0
108.02052	1.1
108.05242	0.7
109.02847	1.0
119.04900	5.2
121.02838	6.6
156.63094	0.6
159.08026	2.5
161.05986	3.8
177.09142	0.7
189.09140	3.4
202.38031	0.7
220.26593	0.9
259.20667	6.3
269.19104	6.0
287.20200	22.4
288.20444	0.9
330.17834	0.7
331.19177	100.0
332.19553	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	331.1916
Annotation	Gibberellin A53 aldehyde
Peak:m/z	Relative Intensity
50.53122	0.5
53.91069	0.5
57.03302	0.6
59.00974	0.8
59.01243	13.7
67.39572	0.5
74.11559	0.6
75.00735	3.4
79.44588	0.6
83.04878	0.8
86.68480	0.6
91.18659	0.7
93.03331	4.0
96.95845	0.7
97.06467	1.1
105.06920	0.7
111.04314	0.9
111.08066	0.7
123.08014	0.7
125.90419	0.6
128.74655	0.6
129.36140	0.6
137.02336	4.6
151.11195	0.7
173.04549	0.8
176.70763	0.8
213.12837	1.0
215.14435	0.8
227.14290	0.7
235.14879	2.4
241.15907	0.8
243.13965	0.8
251.18036	29.5
252.18434	1.1
253.16092	1.4
265.16019	2.9
267.17578	2.1
269.19104	35.3
270.19379	1.0
271.01401	2.4
271.15723	1.3
280.14630	0.8
283.16956	1.0
287.12759	0.7
287.20053	4.0
313.18127	24.8
314.18353	1.3
330.26709	3.7
331.16052	3.9
331.19156	100.0
331.26773	4.5
332.19525	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2281
Annotation	CHEBI:68863
Peak:m/z	Relative Intensity
61.92294	0.3
63.78136	0.3
65.03799	0.6
66.21437	0.3
67.11504	0.3
77.01293	1.0
77.01759	0.7
79.05375	0.5
82.00433	0.5
89.27885	0.4
89.55842	0.3
90.42330	0.3
92.02547	3.2
93.03340	1.5
95.01186	0.6
106.03403	0.4
106.04108	7.2
107.04892	31.1
107.08089	0.4
108.02001	1.0
108.05193	0.8
119.04113	0.6
119.04900	10.1
120.05680	0.7
121.02043	0.6
121.02827	7.5
138.42943	0.3
158.40324	0.3
161.51695	0.3
171.76328	0.3
194.28909	0.3
197.33209	0.3
287.23822	100.0
288.24167	6.5
308.89105	0.4
331.22821	87.9
332.23181	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	331.2492
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
52.73999	0.1
57.03304	0.2
58.00457	0.5
59.01244	0.1
70.59505	0.1
71.04886	0.1
73.02818	0.1
78.01386	0.1
80.71405	0.1
84.74840	0.1
89.56245	0.1
96.95844	0.1
97.06428	0.1
105.00550	0.1
109.02834	0.1
121.70470	0.1
123.70814	0.1
125.09592	1.2
127.11163	5.8
128.11436	0.1
137.09570	0.1
139.11185	0.3
141.12735	0.2
143.10672	1.1
145.66676	0.1
153.09004	0.2
155.10657	2.0
156.10957	0.1
157.12234	3.9
165.09135	0.2
169.12198	0.2
171.10178	2.2
177.33369	0.1
185.11771	0.4
187.13306	1.1
201.11214	1.4
231.46989	0.1
255.23248	0.3
267.23349	0.2
277.21759	0.2
283.22690	0.2
285.24359	0.2
293.21161	0.2
295.22839	1.3
311.22357	0.7
313.23868	7.9
314.24176	0.5
327.21854	0.2
329.23358	4.2
330.23901	0.3
331.24911	100.0
332.25256	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	332.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97482	0.3
55.95736	0.2
59.39938	0.2
68.95017	0.2
71.01239	2.9
74.69209	0.2
78.95765	0.6
81.89448	0.2
87.00750	0.4
93.03297	0.4
95.91934	0.3
98.98032	1.0
99.00737	83.2
99.03091	0.9
100.01071	1.7
111.00744	0.5
111.04434	0.3
115.00246	0.4
152.99490	0.3
158.97374	1.1
159.02887	100.0
160.03247	3.0
173.04485	0.6
175.02415	0.8
176.02766	0.4
216.05547	0.3
241.01041	0.4
247.16893	0.4
296.27264	0.4
332.06186	5.3
332.10376	1.3
333.05917	1.0
333.10065	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	333.0596
Annotation	GroPIns
Peak:m/z	Relative Intensity
50.17374	0.3
54.35155	0.6
59.01232	0.4
60.54825	0.3
65.99866	0.3
69.03304	0.5
70.36774	0.3
78.93959	1.4
78.95762	85.2
78.97802	0.8
85.02833	0.7
93.03316	0.5
94.40643	0.4
96.96823	18.2
117.00332	0.4
125.00877	0.3
125.02268	0.3
126.98718	0.8
127.02364	0.6
137.02296	0.4
141.00325	1.2
149.00844	0.5
150.97906	1.1
151.02380	0.6
152.94618	0.9
152.99478	72.4
153.99794	0.9
157.03476	0.5
167.01944	0.5
168.99809	1.5
169.03493	1.2
171.00552	8.8
182.41008	0.4
191.02008	0.4
191.05528	3.3
195.01421	5.7
196.01581	0.4
211.00941	0.5
223.00122	0.9
225.02470	0.4
237.02786	0.4
238.29839	0.3
241.01178	37.1
242.01604	0.7
255.03516	0.8
259.02185	1.9
273.04691	28.3
274.04874	2.0
299.89771	0.9
300.95734	0.4
332.90445	0.9
333.05954	100.0
334.06290	3.1
341.69077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01230	1.6
63.39198	0.4
65.03826	1.2
67.01735	0.8
69.03307	1.1
71.01237	1.1
73.02816	0.7
76.61217	0.4
80.02534	0.5
81.03305	1.7
83.04882	0.6
91.01755	1.5
93.03314	16.9
93.03915	0.8
94.02327	0.5
95.04908	0.8
95.12502	0.5
97.02789	0.7
97.06477	0.4
99.08021	0.6
106.04095	4.2
107.04887	24.6
108.02032	14.3
108.02774	0.7
108.99850	0.7
109.02814	43.9
110.03145	0.9
111.00740	0.4
111.04385	0.4
117.03328	2.0
121.02831	2.6
122.03598	2.0
123.00749	0.8
123.04385	11.4
124.01539	0.7
125.02338	0.8
127.03867	3.8
127.38633	0.5
132.01993	0.4
133.02837	5.7
134.03613	22.6
135.00311	1.3
135.04393	100.0
136.04727	2.2
137.02319	16.3
139.03891	0.9
147.04372	0.6
149.02354	4.5
149.05954	1.2
150.03120	15.1
151.03726	0.7
152.01044	27.2
153.01820	25.4
159.10332	0.5
161.02330	15.5
163.00278	0.9
164.04764	0.8
164.07048	1.3
164.99944	0.7
165.01813	1.0
165.05469	40.7
166.05840	0.8
167.03389	44.9
167.04559	3.0
168.03781	0.9
171.02884	16.6
171.04344	0.9
172.03197	0.5
173.04500	1.1
179.03412	12.8
180.04106	1.2
180.05605	0.7
181.06468	1.5
195.06555	5.9
197.05995	2.6
201.05545	0.9
208.05232	4.7
209.06024	10.4
225.05513	0.7
226.06339	1.6
227.03288	0.6
227.07071	1.0
229.05011	1.2
241.08667	3.9
245.08209	0.8
269.08203	0.8
271.06107	1.6
285.07690	34.8
286.08160	1.5
289.07333	1.2
315.05084	2.3
315.09958	0.9
333.06189	5.6
333.09940	1.8
333.15576	3.1
333.19308	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	333.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13073	0.5
59.01243	1.7
71.01228	0.7
81.03325	1.3
82.04294	0.6
86.03703	0.6
91.72687	1.1
93.03308	1.2
104.41319	0.6
108.02003	3.4
108.99595	1.2
109.02814	89.0
109.05710	1.4
110.03164	0.9
121.02807	1.4
123.04375	4.8
133.30099	0.8
135.04376	1.6
137.02315	1.4
152.01042	2.6
153.01823	100.0
154.02173	3.3
171.12805	0.8
179.03450	2.0
211.02309	0.7
230.18445	0.7
245.08153	1.5
245.13853	1.0
256.03754	0.7
258.04407	0.8
289.07080	1.3
289.14551	0.8
333.09174	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	333.0983
Annotation	Mesquitol-4beta-ol 3,8-dimethyl ether
Peak:m/z	Relative Intensity
50.86003	1.4
51.08516	0.7
52.69941	0.6
57.03302	2.1
59.01239	6.8
62.05956	0.7
65.03800	1.2
67.01753	1.2
69.03303	4.5
70.21114	0.8
71.01244	4.3
72.94936	0.8
73.02810	1.8
73.97939	0.7
81.03317	3.1
83.01237	14.1
83.04867	1.2
84.01517	0.8
85.02792	2.5
89.02277	1.0
93.03314	4.2
95.01233	1.5
95.04900	4.7
96.95856	3.1
97.02808	23.8
99.04354	1.0
101.02288	3.6
101.05027	0.8
107.04876	2.0
109.02110	1.3
109.02811	13.8
111.34091	0.8
113.02322	1.7
121.02797	1.4
122.03645	1.3
123.00728	3.0
123.04362	1.0
123.33580	0.9
124.01566	1.8
125.02310	9.1
137.02321	100.0
137.06584	1.6
137.73523	0.8
138.03156	9.4
139.03908	4.6
145.02824	0.8
147.04205	0.9
151.03859	2.8
152.00989	1.0
152.04668	3.2
153.01799	3.0
153.05450	2.8
161.02235	1.5
161.04527	1.1
163.00227	1.1
164.01006	0.9
165.01823	21.8
166.02568	3.9
167.03349	2.4
169.42415	0.9
171.04422	1.0
173.04427	1.7
175.03896	4.2
177.01901	1.4
178.02579	2.3
179.03397	3.3
180.04198	6.8
184.03748	1.0
191.03429	1.5
193.04974	2.4
195.06557	6.6
199.03979	2.4
215.03441	1.8
216.04231	1.5
217.05002	4.8
219.02892	1.7
229.05154	0.9
230.05777	1.5
231.06592	1.6
232.07294	1.6
233.04456	1.0
233.73140	0.8
234.05371	2.7
235.06073	7.5
241.04991	3.0
247.09660	3.0
249.07680	4.5
250.08438	5.5
259.06088	4.9
263.02103	1.1
265.10748	4.3
268.03894	1.2
274.08359	6.1
279.19839	1.2
283.06244	1.1
285.04102	5.2
289.10764	6.9
291.08777	1.0
299.00308	0.8
300.06400	1.5
302.46988	0.9
315.08716	8.3
318.07602	1.7
333.06155	6.5
333.09793	74.8
333.15747	13.0
333.19107	1.8
334.10156	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	333.1337
Annotation	CGS 12066B
Peak:m/z	Relative Intensity
50.77644	0.6
57.03273	0.7
57.62938	0.8
58.02838	3.5
59.01232	3.8
66.48003	0.9
85.67034	0.6
87.00697	2.2
88.38678	0.6
107.04867	0.8
116.04888	2.6
118.06522	0.8
123.09097	1.6
129.10182	2.5
130.04092	1.3
131.04836	1.8
133.06441	3.3
145.06497	1.9
147.04358	0.9
149.02315	1.8
153.18106	0.8
157.06454	1.6
159.04372	3.2
159.08057	8.2
161.05916	1.4
169.06444	2.0
171.11259	1.1
172.05264	1.0
173.05972	2.2
175.03880	1.4
187.07584	5.2
188.08304	2.2
189.12743	2.5
199.14870	1.5
201.12794	1.3
202.06239	1.0
207.10220	28.8
207.12183	1.5
214.06247	1.8
215.14348	20.8
216.14677	1.5
217.15927	100.0
217.24603	1.4
218.16258	5.2
227.14456	1.9
230.13112	2.7
242.11978	3.0
243.13899	4.4
245.15451	68.8
246.15807	4.6
257.16699	1.4
259.14420	1.0
261.14902	1.9
269.19174	1.2
271.13449	2.4
271.20740	1.3
289.14487	20.4
289.17755	1.1
290.14713	1.8
301.15680	2.5
315.19650	4.2
332.27252	3.9
333.13483	64.7
333.20618	14.6
334.13855	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	333.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61760	0.7
55.01739	4.1
57.03301	4.3
59.01240	40.2
67.28002	0.9
69.03310	1.0
70.48059	0.8
70.99668	0.8
71.01238	52.0
72.99162	2.2
73.02803	25.0
83.01241	13.0
85.02805	33.0
85.99945	3.4
87.00745	1.8
87.05463	1.2
89.02290	9.3
90.18956	0.8
95.01228	3.3
99.00745	9.4
100.99680	0.9
101.02299	61.8
101.05180	1.0
102.02648	1.5
113.01551	1.7
113.02299	24.2
119.03342	2.6
125.02330	1.7
140.35854	1.0
143.03403	2.8
148.03987	2.2
159.02896	5.0
161.04446	19.3
166.04961	1.2
184.76654	1.1
204.08548	1.5
225.54179	0.9
245.18465	0.9
289.16611	15.2
303.11761	2.1
333.00043	1.3
333.15585	100.0
333.19168	7.7
334.15976	7.4
358.90405	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.4
58.99969	0.8
59.01242	57.9
59.02376	0.8
60.01567	1.1
61.98693	8.8
65.03786	0.4
71.01232	0.9
71.04865	0.7
72.99152	0.4
73.02780	0.5
75.23629	0.6
78.95770	2.8
83.04880	1.7
85.02793	0.7
89.02316	0.6
91.73347	0.7
93.03349	0.7
95.02778	0.4
95.04881	0.7
97.06467	1.2
99.08015	2.3
109.06451	0.9
111.08022	1.9
113.05923	1.3
115.00218	0.6
123.08019	0.8
123.15958	0.5
125.09614	1.9
127.07506	1.0
129.09082	1.9
141.09056	1.0
143.10640	1.0
152.00990	0.5
155.07021	0.5
155.10683	4.2
157.08603	0.8
164.07043	0.5
165.12802	0.5
171.10118	1.3
175.02393	1.0
175.93449	1.7
177.12781	0.4
188.57147	0.5
191.14314	0.5
195.13812	7.1
199.09659	0.6
201.12697	0.5
210.65065	0.4
211.16994	3.3
217.10748	1.3
225.18829	0.5
253.14362	0.7
253.18079	2.5
255.16069	3.7
269.17532	0.6
271.19150	9.1
273.17084	28.6
274.17508	1.3
291.14456	3.2
297.13467	0.8
297.16882	0.6
305.02084	0.4
315.18155	9.6
333.19208	100.0
334.19669	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	333.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.6
58.99886	0.7
59.00217	1.1
59.01243	100.0
59.02408	1.9
60.01574	0.7
61.98704	0.9
64.84742	0.3
71.01242	5.4
72.99171	0.4
73.02811	2.0
80.06086	0.3
82.82471	0.3
83.01237	1.7
84.03146	0.3
85.02803	2.8
87.00727	0.4
89.02311	1.0
95.01244	0.6
99.00751	1.0
101.02308	5.9
110.53120	0.3
113.02324	2.6
122.69892	0.3
139.03973	0.3
159.02928	0.5
161.04472	3.0
214.06352	0.9
217.15921	1.0
227.14519	0.5
245.15526	0.5
248.88979	0.3
269.19058	0.4
271.13477	0.7
271.20511	0.7
287.20093	0.5
289.14545	0.5
291.18173	6.4
292.18655	0.6
315.19705	3.6
315.33499	0.3
333.09067	0.6
333.13651	0.9
333.20734	10.8
333.24225	0.5
334.21210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2049
Annotation	20-carboxy Arachidonic Acid
Peak:m/z	Relative Intensity
53.69074	0.4
64.79598	0.5
81.14037	0.6
83.83514	0.6
94.67062	0.7
95.55422	0.5
102.99895	0.5
127.07545	0.9
164.82025	0.6
198.71657	0.6
201.02390	0.6
203.10442	0.9
217.15918	0.9
223.13144	2.5
232.02959	0.7
237.11229	0.8
241.56355	0.7
243.13687	0.7
245.15393	0.7
254.67628	0.6
263.20197	1.1
265.21732	10.9
271.13474	1.3
283.16806	1.8
285.18362	6.7
287.19937	2.8
305.21078	1.1
312.85864	0.6
317.17313	3.2
319.18909	2.1
333.20499	100.0
334.20786	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	333.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45592	0.4
59.01186	17.4
59.01511	1.5
71.96700	0.5
83.92626	0.4
91.73342	0.6
93.03253	0.9
93.18412	0.4
107.04891	4.3
119.04876	1.0
121.02746	1.4
122.03577	0.9
148.57794	0.4
161.05829	0.5
204.40421	0.5
222.22609	0.9
233.19086	1.2
236.88611	0.5
251.20152	100.0
252.20518	5.7
271.20721	0.9
289.21732	5.8
323.39853	0.4
333.20605	27.2
333.24271	2.2
334.20956	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	333.2072
Annotation	Hartwrightia acid
Peak:m/z	Relative Intensity
51.93980	0.2
52.94284	0.2
59.01210	0.4
67.60522	0.4
75.95176	0.2
77.50993	0.4
77.51354	0.3
82.00410	0.6
92.02044	0.2
92.02528	2.3
93.03307	2.4
95.01190	1.0
107.04906	1.3
108.02045	2.3
119.04819	0.4
121.02831	2.0
122.03592	1.3
125.70821	0.3
134.03616	1.2
135.04398	2.0
135.19200	0.3
147.04382	2.8
161.05919	0.6
175.07524	0.4
237.99539	0.2
261.22681	0.4
271.20856	0.3
287.20166	0.6
289.21747	100.0
290.22122	6.6
315.19687	1.0
333.20743	33.3
333.24200	1.9
334.21078	2.4
350.92178	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2074
Annotation	15-deoxy-delta-12,14-PGD2
Peak:m/z	Relative Intensity
51.55122	0.7
53.71336	0.8
57.03315	3.1
59.01239	4.5
61.98701	1.4
67.67039	0.8
75.33413	0.8
83.04886	2.6
90.22616	0.8
93.82405	0.9
95.04885	1.2
96.36124	0.9
96.95883	1.4
97.63649	1.0
98.27028	1.0
99.00838	1.0
99.46153	1.0
105.06976	1.6
108.03434	0.9
109.06490	1.8
125.02251	1.0
145.49481	1.0
148.59303	1.0
150.07948	1.1
168.91447	1.1
189.12822	1.0
201.12891	1.2
213.05453	1.1
214.06380	2.1
217.15939	5.1
243.13872	1.5
245.15521	1.2
253.19713	1.1
269.19153	5.1
271.13449	4.6
271.20688	10.1
287.20248	3.4
289.14725	2.0
297.18735	1.8
315.19681	32.7
316.20093	2.5
333.13763	4.4
333.20740	100.0
333.70587	1.1
334.21097	8.5
357.73578	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2073
Annotation	Hartwrightia acid
Peak:m/z	Relative Intensity
50.72493	0.2
62.58925	0.3
65.03808	0.4
77.51009	0.6
77.51395	0.4
79.92512	0.3
82.00439	0.6
92.02534	4.2
93.03316	2.8
95.01242	1.0
97.63312	0.3
107.04877	0.4
108.02028	2.3
113.86574	0.3
114.34560	0.3
120.02017	0.4
121.02813	0.8
134.03583	1.2
135.04393	1.2
143.82365	0.3
147.04407	3.5
161.06001	1.0
164.57164	0.3
189.12639	0.4
253.38809	0.5
287.20306	0.5
289.21744	100.0
289.35019	0.8
290.22067	5.4
315.19571	0.5
333.20724	29.9
334.21042	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	333.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37499	0.6
59.01238	2.1
65.89156	0.6
68.10963	0.6
70.60749	0.7
77.51044	1.4
77.51419	1.4
87.69389	0.7
91.12704	0.7
93.03313	1.7
107.04888	0.9
108.02036	18.5
119.04871	0.9
121.02826	29.0
121.77057	0.9
122.03613	12.8
123.04439	1.0
134.03627	2.3
135.04407	2.7
152.01025	2.4
235.13373	3.5
245.15500	0.8
246.16304	1.1
251.19666	0.8
288.20944	21.5
289.21744	100.0
290.22073	4.3
315.23380	2.7
321.20758	2.2
333.20700	86.2
333.24463	23.4
334.21060	4.9
334.24725	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	0.5
67.60519	0.5
77.50952	0.7
80.74265	0.2
82.65723	0.2
88.49828	0.3
92.02525	1.5
101.87127	0.2
106.04100	8.4
107.04898	1.4
108.02003	0.4
113.09546	1.0
119.04887	4.3
121.02036	0.4
121.02822	6.2
121.58081	0.2
133.06430	0.7
137.02309	0.4
161.09575	0.3
163.11182	0.9
175.11172	1.2
179.30289	0.2
184.38228	0.2
187.59573	0.2
189.12698	1.2
233.15445	2.0
245.15480	0.6
253.38948	0.3
261.18549	0.4
271.20657	0.8
287.20126	1.0
289.08600	0.8
289.21741	100.0
290.22095	7.9
333.20728	70.8
334.21094	6.4
358.36423	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	333.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90813	0.2
57.03315	1.4
63.34798	0.2
67.60527	0.4
71.04839	0.2
77.50955	0.6
77.51432	0.4
79.55091	0.2
92.02507	1.0
93.03281	0.9
93.03867	0.2
94.31102	0.2
95.04838	0.3
106.03399	0.3
106.04101	5.1
107.04903	2.9
108.02008	0.5
109.02768	0.2
110.50648	0.2
119.04886	5.3
121.02816	4.5
121.06322	0.2
125.09615	0.2
133.06461	1.2
135.08000	0.5
137.02284	0.5
141.12729	2.3
147.07994	1.0
153.12744	0.3
161.09602	0.4
189.09172	0.6
199.16371	0.2
205.12340	1.6
209.22527	0.2
217.12253	0.6
219.13930	0.3
223.84389	0.4
253.38965	0.3
257.78674	0.2
259.20654	0.4
261.22244	0.7
271.20694	1.2
287.20209	0.6
289.21741	100.0
290.22073	6.7
291.23187	0.3
333.20731	69.3
334.21021	5.6
334.24860	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2073
Annotation	6beta,7beta-Dihydroxykaurenoic acid
Peak:m/z	Relative Intensity
52.67032	0.4
57.03309	0.7
61.60014	0.4
65.03828	2.4
76.33511	0.5
79.05379	1.4
81.03309	1.0
83.04865	1.0
91.73335	0.7
93.03321	9.6
95.04874	1.5
99.74679	0.5
107.01997	0.8
107.04887	53.5
108.02045	0.9
108.05225	1.5
109.02818	1.3
111.04375	0.9
119.04900	6.1
121.02811	6.2
161.05968	4.8
169.15898	3.8
211.71663	0.5
271.20679	9.1
272.21021	0.8
289.21750	23.9
290.22073	1.1
302.87326	0.6
333.20731	100.0
334.21069	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	333.2072
Annotation	15-deoxy-delta-12,14-PGD2
Peak:m/z	Relative Intensity
50.39965	0.3
53.82479	0.3
57.03318	1.8
57.03548	0.3
79.05381	0.6
80.26031	0.3
81.00257	0.6
81.00658	0.4
83.04888	1.6
88.65285	0.3
99.85610	0.4
105.06976	0.4
109.06426	0.5
113.83080	0.3
121.06451	1.0
133.06458	1.2
135.08035	0.4
153.01843	0.3
159.04472	0.4
161.09575	0.4
183.05527	0.4
183.21840	0.3
185.92543	0.4
211.14899	0.9
211.82050	0.4
214.06335	1.6
217.15921	1.2
227.14272	0.7
237.16440	0.6
245.15511	0.8
251.18103	0.8
253.16031	1.0
253.19536	1.4
255.17580	0.8
267.17612	1.4
267.86124	0.4
269.19104	9.2
270.19507	0.7
271.13400	2.7
271.20688	7.0
272.20978	0.5
275.12878	0.7
285.18616	0.4
297.18631	7.2
298.18958	0.5
299.57101	0.4
312.02548	0.3
315.19693	28.4
316.20041	2.3
333.20737	100.0
334.21069	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2071
Annotation	15-deoxy-delta-12,14-PGD2
Peak:m/z	Relative Intensity
51.27771	0.2
51.87969	0.3
57.03320	1.6
61.74340	0.3
67.54121	0.3
68.43182	0.3
79.05403	0.3
81.00240	0.7
81.00671	0.5
83.04874	1.5
83.24645	0.3
85.69962	0.3
91.72727	0.4
93.27442	0.4
94.51569	0.3
119.08507	0.4
121.02795	0.4
121.06456	1.1
133.06483	0.7
140.29730	0.3
152.83415	0.3
211.14871	1.0
214.06264	0.7
217.15891	0.6
227.17899	0.5
237.16483	0.5
243.17650	0.4
245.15398	0.5
251.18109	1.0
253.15952	1.1
253.19626	1.5
255.17470	0.7
261.05621	0.9
267.17575	0.9
269.19110	8.7
270.19452	0.9
271.13428	0.6
271.20721	6.9
271.23492	0.2
272.21155	0.4
288.04263	1.0
289.05008	2.1
297.18607	6.6
298.19043	0.4
315.19693	27.0
316.19971	1.9
333.04282	3.2
333.20737	100.0
334.04263	0.4
334.21066	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	333.2072
Annotation	15-deoxy-delta-12,14-PGD2
Peak:m/z	Relative Intensity
53.46003	0.1
55.32162	0.1
56.06406	0.1
56.69862	0.1
57.03316	3.7
57.03584	0.2
69.03319	0.1
70.29111	0.1
71.04886	0.4
80.41194	0.2
81.00274	0.3
81.03320	0.2
83.04874	2.3
85.06442	0.4
85.70029	0.4
91.72710	0.2
95.04877	1.7
97.06439	1.4
105.06956	3.3
105.07590	0.2
107.04921	0.4
107.08511	0.9
109.06470	0.6
111.08020	1.2
113.09608	0.3
119.04853	0.2
119.08550	0.3
120.05685	0.2
121.06463	1.0
123.08057	0.6
125.09626	0.7
133.06464	0.4
135.08028	0.3
137.09602	0.8
145.10161	0.5
147.11613	0.2
149.09576	0.3
151.11183	0.5
153.12761	0.8
161.09619	0.3
163.11212	0.3
165.12781	0.2
175.11189	0.2
177.12790	0.3
179.10751	0.6
183.11693	1.3
188.11557	0.1
189.12828	0.6
191.14352	0.4
201.12778	1.8
203.14351	0.5
205.15884	0.3
215.14375	0.4
215.17964	0.2
217.12384	0.2
217.15909	1.7
219.13876	0.4
225.88539	0.2
229.15945	1.2
231.17563	0.5
233.15340	0.1
243.17508	1.7
245.19171	0.3
251.18135	0.3
253.15967	0.5
253.19763	0.5
255.17490	0.5
259.17102	0.6
259.20755	0.2
267.17603	0.3
269.19104	5.6
270.19476	0.5
271.20679	12.3
272.18088	0.3
272.21045	1.1
287.20157	6.8
288.20541	0.6
289.14517	0.2
289.21686	1.0
297.18661	0.7
315.19669	40.1
316.19977	3.4
333.20715	100.0
334.21051	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	333.2074
Annotation	Hartwrightia acid
Peak:m/z	Relative Intensity
77.50990	1.0
82.99023	0.4
89.76711	0.3
91.73429	0.3
92.02551	1.1
106.04096	5.5
107.04895	3.4
119.04891	9.2
121.02829	4.6
133.06485	1.6
161.09590	0.3
182.99332	0.3
189.12772	0.4
203.14374	0.4
221.17302	0.3
231.17509	7.1
231.19664	0.5
243.17586	1.1
257.19186	0.4
259.20679	10.6
260.20984	0.7
269.19165	2.2
271.20706	5.3
285.18665	0.4
287.20178	25.8
288.20557	1.3
289.21753	79.1
290.22110	4.1
333.20743	100.0
334.21063	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	333.2072
Annotation	6beta,7beta-Dihydroxykaurenoic acid
Peak:m/z	Relative Intensity
51.65032	0.2
54.13671	0.2
59.01227	0.5
76.16042	0.2
77.50980	0.6
78.48723	0.2
89.76031	0.2
89.76685	0.3
92.02529	1.3
93.03284	0.3
106.04088	4.1
107.04890	1.5
108.01995	0.6
119.04888	9.3
120.05200	0.4
121.02827	5.9
131.65030	0.2
133.06462	3.7
137.02327	0.5
161.09592	0.7
161.37923	0.2
175.11143	0.6
189.12752	0.4
217.15927	0.9
229.15979	0.3
231.17494	9.6
232.17873	0.4
243.17523	1.7
245.19090	5.5
246.19440	0.3
257.19113	0.4
259.20667	27.8
259.31302	0.4
260.21017	2.5
269.19101	1.2
271.20694	13.6
272.21045	1.1
287.20169	13.7
288.20566	1.0
289.21744	57.6
290.22110	4.8
315.19595	0.4
320.25006	0.3
333.20728	100.0
334.21069	8.6
334.24252	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	333.2072
Annotation	6beta,7beta-Dihydroxykaurenoic acid
Peak:m/z	Relative Intensity
63.57186	0.3
64.05655	0.5
66.81797	0.6
74.95339	1.0
74.95721	0.5
80.09724	0.4
85.06464	1.0
87.75483	0.5
91.23499	0.4
92.02550	1.0
93.03370	0.5
97.06441	0.5
103.19628	0.5
106.04121	3.4
107.04903	2.9
119.04888	7.4
121.02818	4.6
133.06461	1.2
175.11198	0.6
187.59819	0.4
191.14369	1.7
203.14352	20.5
204.14708	1.0
205.41710	0.4
219.13853	21.7
220.14124	0.9
233.15474	1.1
235.13301	0.5
271.20691	48.0
272.21008	3.6
287.20157	4.6
288.20755	0.4
289.21762	18.7
290.22028	1.2
333.20737	100.0
334.21033	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	333.2072
Annotation	Hartwrightia acid
Peak:m/z	Relative Intensity
56.45481	0.5
56.45724	0.3
57.03315	0.7
59.01227	0.3
65.01408	0.3
65.03810	0.8
77.50980	0.9
78.95695	0.3
81.03311	0.4
83.04870	0.7
89.76702	0.3
92.02510	0.3
93.03312	4.3
95.04857	0.5
106.04094	1.3
107.04886	20.3
108.02034	0.5
109.02806	0.7
109.06425	0.4
111.04400	0.5
119.04900	1.9
121.02824	3.9
133.06447	0.5
135.08020	4.1
145.06529	0.5
151.56651	0.3
153.12738	0.8
163.07538	25.9
163.13249	0.4
164.07848	1.0
228.55370	0.3
271.20694	1.1
287.20193	1.4
289.21744	63.5
290.22058	5.2
305.41864	0.4
316.22769	0.4
333.20731	100.0
333.37549	0.8
334.21054	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	333.2436
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.67237	0.2
50.67500	0.2
51.89952	0.2
55.59244	0.2
56.55257	0.2
67.61417	0.5
70.45300	0.2
77.51884	0.5
77.52348	0.3
83.90582	0.2
92.02528	1.9
95.01207	0.3
106.04099	9.3
107.04842	0.9
108.02026	0.8
109.02789	0.3
111.42267	0.2
119.04106	0.2
119.04897	3.7
121.02822	9.6
122.03056	0.3
133.06438	0.8
136.01558	0.2
137.02376	0.3
161.09622	0.3
175.11166	0.6
189.12743	0.3
203.14394	0.3
289.25381	100.0
290.25735	6.6
304.39987	0.3
333.24368	62.6
334.21030	0.3
334.24677	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	333.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11810	0.2
63.35716	0.2
65.49008	0.2
67.61439	0.4
67.71802	0.2
70.53057	0.2
77.51894	0.5
82.00444	0.3
92.02546	2.0
95.01261	0.2
106.04105	9.8
107.04920	1.2
108.02007	0.6
110.37219	0.2
119.04881	2.9
119.73373	0.2
120.99722	0.2
121.02821	10.1
133.06476	0.6
137.02373	0.4
152.28902	0.2
154.29068	0.2
175.11288	0.3
185.27927	0.3
189.12781	0.4
203.14517	0.3
253.42253	0.5
289.25385	100.0
289.38666	0.8
290.25745	4.6
333.24368	57.6
334.24689	2.9
334.40714	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	333.2438
Annotation	Meliavosin
Peak:m/z	Relative Intensity
51.99366	0.8
58.56505	0.7
59.01230	1.3
76.03201	0.9
81.03294	1.1
103.65366	1.0
107.04868	3.2
108.02036	5.6
109.02812	16.1
121.02831	1.2
122.03596	7.9
123.21378	0.9
135.04391	1.2
136.01491	1.8
137.02296	2.8
148.05205	5.0
161.05910	1.3
289.21753	12.7
289.25378	32.9
289.28531	1.9
315.19748	1.8
315.23294	28.4
316.23535	2.0
331.22769	25.2
333.20728	12.6
333.24350	100.0
334.24811	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14342	0.2
55.26899	0.3
59.00059	1.9
59.01243	100.0
59.02563	1.2
60.01580	0.9
71.53478	0.2
77.93546	0.2
96.95882	0.5
103.10533	0.3
127.33171	0.3
137.02383	0.3
176.01311	0.2
217.15964	0.5
245.15555	0.5
271.13382	0.7
274.14761	0.3
289.14502	0.4
315.19827	0.8
333.13574	1.4
333.20724	3.2
333.24292	0.5
334.16818	0.4
334.21109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16388	0.6
58.33402	0.4
58.90150	0.4
59.65401	0.4
59.92574	0.4
61.04877	0.4
71.01234	0.4
73.02808	2.4
74.25543	0.4
81.03310	1.0
83.04883	2.7
85.02805	0.6
88.53276	0.4
93.03314	17.3
97.76685	0.4
99.00726	1.0
99.04386	0.8
103.37165	0.4
105.03349	0.6
107.04868	0.4
111.04375	7.3
116.88197	0.5
117.03331	0.6
127.99615	0.5
128.39417	0.4
130.64955	0.4
132.02052	1.6
133.02832	35.2
133.07098	0.5
134.03571	2.9
135.00475	0.5
135.04399	32.2
135.65985	0.4
136.04764	0.6
137.02321	6.8
143.03334	0.5
155.03387	5.8
160.97273	1.1
161.02338	100.0
161.08018	0.8
162.02699	3.7
167.06744	0.5
173.04492	1.5
178.02600	0.9
179.03409	27.7
180.03741	1.1
199.02335	0.5
210.35355	0.5
234.10466	0.5
247.10101	0.5
291.08759	1.1
335.07761	36.9
336.08084	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	335.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02825	0.6
58.69017	0.4
59.01240	4.0
59.31274	0.5
60.25630	0.5
62.79302	0.5
65.00198	0.6
65.03822	0.7
69.03310	0.6
71.01244	1.2
71.04892	0.7
73.02806	5.5
74.02338	1.2
81.03323	1.6
83.01242	1.4
83.04888	3.3
84.12133	0.5
85.02822	2.3
89.02295	0.6
90.98460	6.2
93.03313	19.8
94.03656	0.7
95.01202	0.6
99.00717	3.2
99.04380	2.1
99.05483	1.2
101.02314	0.8
107.04890	2.1
109.02826	3.0
111.00719	0.6
111.04375	9.0
117.03367	0.6
121.02839	0.9
125.02340	3.4
128.03418	1.9
129.01773	0.6
129.07317	2.0
133.02846	7.0
134.03641	4.8
135.00374	1.3
135.04398	100.0
136.04723	2.8
137.02328	9.8
139.00269	0.8
141.01801	1.0
143.03465	1.0
143.04483	5.7
151.00275	1.9
153.01808	4.5
155.03381	3.5
159.10263	0.6
161.02339	23.2
161.04391	1.1
162.89305	1.0
163.00206	0.8
165.01804	1.5
165.11594	0.5
166.02544	0.6
167.03418	1.4
167.95477	0.5
169.01344	0.6
173.04466	20.4
174.04816	1.1
177.01877	0.9
179.03410	89.1
180.03781	2.3
181.01340	0.9
181.12341	0.6
189.01852	0.8
191.07399	5.4
193.01340	0.7
195.02913	0.8
217.01436	0.5
265.04852	0.9
273.12299	0.8
278.22766	0.5
291.08612	0.7
291.17172	0.9
317.03030	2.0
335.04184	3.0
335.07736	26.9
335.10855	1.2
335.20764	2.0
336.08142	1.5
338.10696	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	335.135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75091	0.6
57.03303	1.0
58.94000	0.6
59.01242	38.3
63.89994	0.6
67.01769	0.7
69.03310	10.8
71.01238	24.5
71.04873	1.3
71.66859	0.7
72.99158	1.5
73.01029	12.8
73.02818	1.8
81.03316	1.1
83.01234	4.8
83.04882	5.6
85.02805	4.5
85.06417	0.8
86.09520	0.7
87.00732	2.5
87.02592	6.3
89.00141	0.8
89.02299	36.7
93.03319	1.5
95.01241	1.5
95.04850	1.0
96.95848	1.0
97.06473	0.8
99.00716	1.9
101.02301	11.3
102.01296	1.5
102.30732	0.7
104.29578	0.7
107.08532	2.7
108.30424	0.9
109.02846	1.9
111.04383	1.8
111.05075	1.3
111.08019	99.5
112.08366	2.1
112.40878	0.8
113.02311	9.6
115.00206	1.9
119.03374	12.2
120.99522	3.2
125.02283	1.6
125.09589	2.3
127.00204	3.8
129.05458	6.3
130.04445	1.9
131.03421	1.7
133.02863	1.9
135.04391	6.5
137.02364	1.0
139.03871	2.2
141.07315	7.5
143.03444	2.2
149.04405	0.9
151.07536	3.2
153.01851	1.5
155.07030	100.0
155.12415	1.2
156.07388	3.2
159.04430	1.1
161.02501	4.0
161.04471	2.9
165.01965	1.1
167.05186	1.1
169.08615	13.2
170.08965	1.1
173.04483	1.7
174.03389	1.8
175.03899	2.1
177.01785	1.2
179.03439	5.1
179.05490	7.2
185.06343	11.8
203.03468	1.3
203.07401	31.6
213.07631	2.1
227.03471	1.9
229.05101	1.4
247.06294	0.8
255.02879	1.3
265.05011	1.5
273.08032	6.0
281.03027	0.8
291.09076	14.8
317.06824	1.1
335.04263	2.0
335.08038	3.6
335.13406	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	335.1867
Annotation	Deisobutyryl bakkenolide H
Peak:m/z	Relative Intensity
51.96266	0.2
52.71446	0.2
55.61593	0.2
57.03298	0.2
59.01243	2.1
62.62492	0.2
73.02269	0.2
73.02772	0.7
75.45155	0.6
78.00712	0.2
83.04875	0.3
86.47533	0.2
88.76329	0.3
92.02522	0.5
93.03306	1.8
93.60522	0.3
99.00739	0.4
99.04353	0.3
106.04103	2.4
107.04894	0.3
108.02036	0.4
111.04350	1.0
119.04881	1.6
121.02813	3.4
123.13607	0.2
133.06482	0.8
137.02303	0.9
141.85107	0.2
155.03423	0.3
165.12746	0.2
173.03087	0.3
173.04485	4.0
174.04852	0.3
177.10445	0.2
192.95746	0.4
217.15961	0.4
224.20091	0.2
231.17480	0.7
245.19106	10.2
246.19357	0.6
247.20659	12.1
248.21030	0.9
265.04813	0.4
271.26169	0.3
273.18622	80.1
274.18954	6.2
275.20139	0.5
291.19681	22.8
292.19949	1.5
317.21271	0.8
335.18671	100.0
335.21927	3.6
336.18973	8.7
358.92374	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	335.2229
Annotation	6alpha-Hydroxy-7-oxo-13,14-dihydrokolavenic acid
Peak:m/z	Relative Intensity
56.16200	0.4
57.03294	0.6
59.01211	1.0
72.01124	0.4
73.02777	0.8
73.55168	0.4
75.80401	0.5
78.01530	1.4
78.02000	1.0
81.03284	0.7
83.04855	0.8
91.73434	0.7
93.03318	9.0
106.04058	1.0
107.04893	13.3
109.02784	0.7
110.29732	0.5
111.04332	1.5
119.04836	1.9
121.02818	5.2
135.08035	5.2
137.02292	1.2
155.03368	1.3
155.14304	2.9
163.07567	4.0
173.04466	7.1
193.70911	0.5
225.13101	0.5
255.35847	0.9
259.86835	0.6
265.04935	1.1
273.22266	1.2
284.09219	0.6
289.21802	4.9
290.22162	1.2
291.23309	91.3
292.23706	5.4
307.26709	0.7
335.22305	100.0
336.22620	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	335.2228
Annotation	6alpha-Hydroxy-7-oxo-13,14-dihydrokolavenic acid
Peak:m/z	Relative Intensity
50.18571	0.3
54.13916	0.3
54.55739	0.2
63.72389	0.3
74.22889	0.2
78.01582	0.8
93.79746	0.3
104.86346	0.4
108.02021	0.5
121.99911	0.6
122.03607	43.6
123.03915	0.5
124.01505	0.9
135.04376	1.8
137.02341	2.3
151.32877	0.4
154.02623	2.2
166.55525	0.4
173.04414	0.6
208.11646	0.3
233.63361	0.3
238.00467	0.3
291.23322	100.0
292.23663	7.4
292.26682	0.5
335.22314	91.6
336.22650	7.0
338.89532	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41642	0.5
63.31538	0.3
67.87602	0.5
70.62843	0.4
77.73550	0.4
78.01541	1.3
78.02029	0.8
78.29941	0.5
83.49421	0.5
92.02517	1.2
106.04103	6.5
107.04958	0.5
111.23005	0.5
119.04914	2.6
121.02810	4.1
131.27385	0.5
140.86609	0.4
155.55478	0.4
197.08035	0.5
200.36374	0.4
223.87862	0.5
261.22226	7.0
271.20648	0.6
273.22217	3.5
287.20102	1.4
289.21741	43.1
290.22119	3.3
291.23306	89.4
292.23648	8.7
335.22293	100.0
336.22647	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	335.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
67.71989	0.3
71.64905	0.3
77.73591	0.5
78.01551	1.1
78.02031	0.6
83.04879	0.4
83.49467	0.4
84.12049	0.5
85.06448	2.5
85.49470	0.3
90.26412	0.4
92.02518	0.6
93.03310	1.1
100.35146	0.3
106.04105	3.7
107.04900	0.9
108.02057	0.7
111.04343	0.6
119.04896	1.5
121.02807	3.3
137.02312	0.5
173.04454	2.9
205.15912	6.3
208.98125	0.4
233.15437	6.6
233.17648	0.5
261.22125	0.5
273.22235	3.3
274.22714	0.4
289.21741	40.0
290.22055	3.2
291.23312	73.2
292.23669	4.5
334.20932	0.4
335.22299	100.0
336.22644	6.4
337.72736	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2228
Annotation	6alpha-Hydroxy-7-oxo-13,14-dihydrokolavenic acid
Peak:m/z	Relative Intensity
58.27773	0.3
59.01226	0.4
61.30634	0.2
63.50018	0.2
72.95284	0.3
73.02793	0.4
78.01550	1.0
83.49467	0.3
84.12013	0.3
91.72739	0.3
92.02529	0.5
93.03294	0.6
97.88884	0.3
99.08022	2.2
100.17125	0.3
106.04104	3.0
107.04900	0.5
108.01992	0.4
111.04376	0.6
115.26597	0.3
119.04156	0.3
119.04868	1.5
121.02815	3.1
123.02807	0.3
123.45411	0.3
137.02335	0.5
173.04471	2.2
173.57848	0.3
182.41544	0.3
191.14334	6.7
192.14664	0.4
219.13872	8.4
233.15578	0.4
261.18958	0.3
261.22202	0.5
263.20126	0.5
265.04834	0.3
273.22223	4.2
287.20227	0.3
289.21750	41.6
289.85602	0.3
290.22104	2.3
291.23315	80.1
292.23651	5.1
307.26602	0.5
335.05276	0.9
335.22296	100.0
336.22665	6.5
344.30771	0.3
354.43170	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.223
Annotation	6alpha-Hydroxy-7-oxo-13,14-dihydrokolavenic acid
Peak:m/z	Relative Intensity
54.11713	0.6
60.63857	0.7
73.77280	0.7
78.01608	1.5
93.03310	1.9
97.36676	0.8
107.72224	0.8
108.02033	25.0
108.02773	1.7
114.41625	1.1
121.02823	23.2
122.03640	8.0
131.51744	0.9
134.03690	0.9
141.26175	0.7
143.18121	0.9
152.01056	2.2
157.18047	0.9
173.04422	2.9
287.46323	1.2
290.22540	34.0
291.23315	100.0
292.23563	4.2
323.22421	2.8
335.22311	77.1
336.22818	4.0
356.38867	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2229
Annotation	6alpha-Hydroxy-7-oxo-13,14-dihydrokolavenic acid
Peak:m/z	Relative Intensity
55.69076	0.4
59.01225	0.9
78.01538	1.3
78.02023	0.8
82.56408	0.3
84.02573	0.4
91.72772	0.7
93.03304	0.8
106.17385	0.4
108.02020	4.1
121.02837	3.1
122.03609	32.1
123.03937	0.5
124.01520	1.2
135.04410	1.7
136.01390	0.5
137.02344	2.7
141.11646	0.4
152.01039	0.8
154.02617	3.0
155.22015	0.4
207.32277	0.5
234.38078	0.4
261.22110	0.5
290.22522	4.2
291.23318	100.0
292.23685	6.0
335.22305	93.2
336.22595	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	335.223
Annotation	11H-14,15-EETA
Peak:m/z	Relative Intensity
56.77453	0.9
57.03310	1.4
58.00467	1.4
59.01239	10.4
69.03291	1.9
71.01237	4.1
72.26571	1.0
73.02802	4.9
81.03331	1.1
83.04885	6.2
83.27429	1.2
89.56312	1.0
93.03312	10.7
96.95839	1.2
98.43217	0.9
99.00684	1.5
99.04387	1.1
106.04106	1.5
109.06464	2.4
111.04370	3.0
111.08017	39.2
112.08394	1.2
119.04882	2.5
121.02829	2.1
121.06441	1.1
127.07514	4.0
137.02325	2.3
137.05869	1.1
141.09117	2.3
143.03329	1.1
151.11177	2.8
167.10628	1.4
173.04448	22.8
177.12718	1.6
179.14360	6.2
189.91310	1.1
192.95755	1.2
193.15858	1.4
195.13863	4.8
203.14377	2.5
205.12241	1.7
207.13838	2.7
209.15419	1.3
215.14453	1.3
223.13361	100.0
224.13734	5.1
225.14954	5.1
231.17525	24.8
237.14951	16.6
253.14468	4.0
259.17007	9.8
261.18887	1.3
265.04871	3.5
273.18567	1.4
273.22253	2.7
289.21759	11.0
291.19745	2.9
291.23203	1.3
299.19916	1.8
303.15897	8.7
317.21277	23.1
317.24789	2.1
335.18588	19.5
335.22302	60.1
335.25650	4.3
336.18976	2.5
336.22607	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	335.2229
Annotation	14(S),15(S)-hepoxilin A3
Peak:m/z	Relative Intensity
57.03302	2.2
58.00462	2.6
58.73378	1.2
59.01245	14.3
62.92579	1.2
69.03310	2.2
71.01236	4.7
73.02807	7.2
74.01244	1.3
78.02091	1.4
81.03338	2.2
83.04887	5.7
85.02831	1.5
93.03311	15.9
95.04887	1.7
97.06441	2.6
99.04406	2.4
99.09619	1.6
101.02248	2.2
106.04126	1.7
109.02848	1.4
109.06448	1.7
111.04369	7.6
111.08015	36.6
111.08778	1.9
112.08409	1.7
121.06455	2.1
124.99409	1.6
127.07526	4.8
131.46440	1.6
137.02344	3.6
141.09071	1.5
143.03342	2.0
155.03404	4.3
165.12843	2.2
173.04446	34.3
174.04897	1.9
179.14333	8.9
193.15912	2.2
195.13930	2.6
207.13768	2.7
223.13344	100.0
224.13708	5.9
225.14984	7.5
231.17534	10.7
237.14915	13.3
253.14461	5.1
256.55649	1.8
259.16861	2.2
265.04880	4.5
289.21732	13.0
291.19629	4.7
317.21201	26.8
318.21564	1.8
335.18729	5.6
335.22278	66.9
336.22449	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	335.2592
Annotation	2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta,17beta-diol
Peak:m/z	Relative Intensity
55.01712	0.9
57.03313	1.5
58.00429	1.5
59.01240	7.0
61.98679	1.6
69.03283	2.9
71.01225	1.4
71.04866	3.0
73.02794	3.4
80.02519	3.7
80.19975	1.6
81.03308	9.6
84.01622	1.0
84.02026	11.1
93.03309	3.1
95.04922	1.1
97.02787	1.8
98.03592	25.9
99.03844	1.3
99.04385	14.0
106.20792	0.8
108.02024	10.0
110.51828	0.9
111.04367	1.7
126.03096	9.2
137.02242	1.2
173.04463	6.4
175.43668	1.0
227.20146	1.5
237.22238	2.1
263.23749	7.0
265.25363	2.5
275.23788	9.0
277.25320	1.1
279.26953	1.4
289.21768	5.4
289.25330	27.3
290.25705	1.7
291.23221	14.9
291.26880	4.2
292.23746	1.7
293.24878	31.2
294.24976	1.6
305.24905	1.3
307.26431	100.0
308.26831	8.3
317.24741	5.0
335.22192	13.1
335.25894	92.3
336.22543	1.2
336.26266	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	336.109
Annotation	Indole-3-acetyl-beta-1-D-glucoside
Peak:m/z	Relative Intensity
51.21714	0.5
52.55629	0.5
55.01742	2.6
55.65340	0.5
57.03327	3.6
58.00458	0.9
59.00115	1.0
59.01242	49.5
59.02490	0.7
64.33008	0.6
69.61366	0.6
70.99754	0.7
71.01240	38.2
72.99168	1.7
73.02811	21.2
81.03310	0.6
83.01239	17.9
85.02805	26.4
87.00729	1.7
89.02296	4.3
95.01231	2.6
97.02813	1.6
99.00739	7.5
99.09889	0.7
101.02303	90.5
101.05135	1.2
102.02645	1.5
111.00747	1.4
112.06789	0.8
113.02308	17.1
113.03094	0.8
125.02309	1.4
125.23487	0.6
128.04942	3.6
129.01840	1.3
130.06500	58.8
130.10561	0.8
131.03346	1.7
131.06841	1.8
142.06517	7.2
143.03442	1.4
144.08102	2.1
154.06506	1.1
159.02901	2.3
161.04462	7.5
163.77757	0.7
170.05984	1.5
172.07571	8.8
174.05531	0.8
179.03477	1.1
188.07057	1.4
192.21718	0.7
200.07120	13.5
202.08693	1.1
214.08665	1.8
234.39760	0.7
261.49353	0.7
276.30508	0.9
292.11929	100.0
293.12170	6.7
315.77054	0.7
336.10919	19.6
337.11447	0.9
342.31693	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31662	1.0
54.58624	1.2
57.03315	1.8
59.01245	6.9
60.29275	1.2
60.76881	1.2
64.39417	1.2
65.00198	3.0
65.03812	1.4
67.01748	7.3
68.99676	2.4
69.03320	4.5
71.01223	4.4
72.99146	1.2
80.27599	1.2
81.03314	14.5
82.28638	1.3
83.01235	11.4
83.04887	1.8
85.02806	24.5
85.41167	1.4
87.00736	4.8
91.73366	1.6
92.01715	1.4
93.03323	8.4
95.01232	8.7
95.04887	1.9
95.70934	1.4
96.95811	1.5
97.02811	12.5
99.00738	6.1
99.04391	2.5
105.03307	2.3
107.04897	5.6
108.02066	2.5
109.02817	49.7
109.99985	2.6
111.00742	54.0
111.04394	4.0
113.02339	4.3
119.04922	3.8
121.02854	8.2
121.06521	1.9
122.38634	1.3
123.00755	14.8
123.04376	3.2
124.01527	5.8
124.57940	1.4
125.02318	64.0
126.02682	1.7
127.00258	4.9
127.03932	1.8
133.02875	2.0
133.06488	1.7
135.00783	1.8
135.04398	18.1
136.01630	1.8
137.02328	49.0
138.03146	7.7
139.00264	24.0
139.03883	14.7
140.01031	5.3
141.01820	24.7
145.02827	4.0
146.03595	1.9
147.04442	2.5
149.02348	9.8
149.05989	1.6
150.03127	3.1
151.00267	4.3
151.03894	11.7
152.01051	2.7
153.01825	100.0
154.02263	2.1
154.99733	14.4
155.03372	2.9
157.04988	1.8
159.04416	6.2
161.02339	6.4
161.05992	5.1
163.03934	5.9
163.11098	1.5
165.01833	60.3
165.05537	2.2
166.02629	20.2
167.03389	20.3
173.02348	3.1
173.05962	2.1
175.03952	5.7
176.01158	2.7
177.01854	31.6
177.05513	5.5
179.03424	19.3
181.01392	6.0
183.02982	8.8
185.06049	2.0
187.03932	5.9
188.04706	4.0
189.01883	5.6
189.05450	4.0
190.02689	5.2
191.03418	15.3
193.01361	8.1
193.05057	1.7
194.02110	4.7
194.51263	1.6
195.02956	4.3
203.03355	2.7
203.07095	3.6
204.04210	3.3
205.04968	7.0
207.02913	4.1
211.04031	2.3
213.05530	2.5
215.03514	4.6
217.01328	9.6
217.04898	2.9
218.02426	1.4
219.02904	5.4
221.04544	5.5
221.08202	6.6
229.05083	5.3
231.02948	2.7
231.06583	7.4
232.03732	4.3
233.04546	16.4
235.02429	2.0
237.03992	1.8
239.03453	3.0
241.81941	1.5
247.02565	3.2
247.06137	2.4
249.04153	3.0
251.05528	2.9
255.05269	2.4
257.04599	7.4
275.05573	11.0
277.03284	2.1
291.05099	3.7
293.06769	6.0
301.03531	2.2
319.04453	11.2
320.05112	2.6
337.05582	24.6
337.15140	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	337.072
Annotation	Antibiotic WS 5995B
Peak:m/z	Relative Intensity
51.48495	0.3
63.15089	0.3
66.28935	0.3
72.17760	0.6
72.18081	0.3
72.64005	0.3
78.61450	0.3
82.35680	0.6
82.36095	0.4
85.80978	0.3
136.01553	0.3
141.37157	0.3
154.04346	0.3
157.02843	0.5
167.04903	0.5
180.05750	0.4
193.06512	5.0
195.04433	0.5
200.04675	0.4
206.07318	1.5
219.08092	2.3
221.06056	13.7
222.06778	2.6
224.04755	1.3
235.07919	0.4
249.05562	17.9
250.06346	45.0
251.06654	2.7
263.07181	0.5
265.08627	0.8
266.05838	1.1
277.05136	1.4
278.05905	1.1
293.04745	0.3
293.07965	0.5
294.05377	35.0
295.05640	2.3
309.07706	10.3
310.08060	0.7
322.04852	35.1
323.05185	2.1
337.07214	100.0
338.07578	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	337.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.3
59.01464	0.4
60.09812	0.3
60.30905	0.4
61.98682	0.4
76.35824	1.0
77.67129	0.4
78.95738	0.4
87.96424	0.4
93.03304	0.7
133.53151	0.6
142.67084	0.4
157.02879	0.6
174.06619	0.4
183.09148	0.5
193.06537	5.5
194.95470	0.5
195.04419	0.4
205.06500	1.6
206.07256	0.7
221.06046	17.6
222.06731	4.2
232.05157	0.5
233.06059	2.4
235.07506	0.6
237.05602	0.5
248.04849	0.6
249.05606	7.2
250.06343	35.2
251.06682	1.8
254.59151	0.4
254.85680	0.5
261.05624	0.7
263.07147	0.7
265.08759	0.8
277.05078	14.2
278.05847	66.1
279.06277	4.1
280.85562	0.4
293.08224	3.4
294.05389	1.2
307.06143	1.5
309.07773	0.7
322.04919	7.0
322.08383	0.8
337.07211	100.0
338.07550	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	337.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78592	0.9
55.01750	0.9
55.97456	0.9
57.03303	1.8
59.00974	1.0
59.01241	12.3
62.18122	1.2
68.99656	1.1
71.00878	1.4
71.01243	24.3
72.99162	1.1
73.02790	4.5
75.00726	1.4
78.95763	9.8
79.21366	1.2
82.78206	1.0
83.01229	2.3
83.04863	1.5
85.02792	12.3
85.17228	1.0
87.00729	24.1
87.04362	1.1
89.02292	4.2
92.27905	1.0
93.03310	9.1
96.95864	1.2
96.96816	25.4
97.02802	1.5
99.00742	7.2
99.04391	2.0
101.02293	4.3
111.00745	3.1
111.01859	3.1
111.04367	4.0
112.28622	1.2
112.98656	1.9
113.02328	6.8
113.99448	9.5
115.00234	39.5
116.00558	1.0
127.00238	2.0
127.03876	1.7
128.03487	1.3
129.01779	1.5
131.03357	1.5
137.02299	1.5
139.00285	2.4
139.01283	1.1
139.29518	0.9
143.03391	6.0
145.01311	85.0
146.01656	1.4
146.04436	1.3
149.04478	1.4
150.20186	1.1
150.34546	0.9
155.03375	2.0
157.01280	3.7
158.57162	1.2
161.04420	1.4
163.06018	2.2
172.01590	1.2
173.04469	14.8
174.01619	10.0
174.04726	1.7
175.02353	2.2
181.06993	1.1
187.58815	0.9
191.05537	100.0
192.05856	2.3
225.65398	1.0
277.05658	9.7
337.07776	85.0
338.08221	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.0
59.00971	0.6
59.01244	6.8
64.70634	0.4
67.01752	3.1
67.65440	0.4
68.50794	0.4
69.03287	0.7
71.01241	3.9
73.02803	0.7
74.02322	0.5
78.98446	1.2
81.03310	0.8
83.04876	1.5
83.18819	0.4
85.02820	3.9
87.00735	1.7
91.73341	0.9
91.94849	0.4
93.03318	24.1
95.01259	0.4
95.49755	0.4
99.04347	0.6
101.02304	0.9
106.53797	0.4
109.02817	1.8
111.00749	1.4
111.04387	4.4
113.02305	0.7
115.00246	2.1
119.04897	20.2
127.03865	1.0
128.03418	0.8
130.08569	0.6
137.02306	3.6
143.07088	0.5
145.02873	0.9
155.03398	3.9
157.05055	0.5
163.03915	14.1
164.04276	0.7
165.02258	0.7
166.51437	0.5
173.04466	100.0
174.04784	1.6
175.02386	2.9
184.86659	0.4
191.05542	18.7
195.33212	0.5
299.15091	1.5
301.16415	0.5
337.09326	6.7
338.06369	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69716	0.5
57.03297	0.9
59.01234	4.2
60.99163	0.8
67.01748	4.9
67.77451	0.6
68.93604	0.6
71.01231	2.0
73.02789	1.3
74.28712	0.6
76.67277	0.7
81.03329	0.7
84.64915	0.6
85.02808	4.8
87.00724	6.5
93.03313	25.1
94.03659	0.8
95.04915	0.9
96.95882	1.0
99.00703	1.3
107.04910	0.9
109.02791	2.7
111.04398	5.3
119.04889	11.1
127.03874	1.2
129.01747	1.1
133.02823	3.6
134.03587	2.2
135.04393	36.9
136.04698	0.8
137.02304	1.9
145.02890	1.4
150.81348	0.7
151.39639	0.7
152.01007	0.9
153.01819	1.5
155.03400	1.5
161.02344	8.4
162.02682	2.2
163.02757	1.1
163.03920	8.7
167.03395	0.7
173.03043	1.4
173.04460	18.3
174.96144	1.0
175.06050	1.9
179.03403	36.3
180.03789	1.0
187.07881	0.8
189.05881	1.2
191.05537	100.0
191.39111	0.7
192.05878	2.2
205.08676	0.9
223.17084	0.8
249.08128	1.0
280.11115	0.7
337.09354	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	337.1084
Annotation	(-)-Glyceollin I
Peak:m/z	Relative Intensity
54.35909	0.4
55.44613	0.5
59.01157	2.1
59.01451	1.0
69.81901	0.5
73.13895	0.6
73.14235	0.7
73.71106	0.6
78.34353	0.6
91.73479	1.0
117.03236	0.6
131.50087	0.6
145.02740	1.6
157.02782	1.1
157.77628	0.7
161.02269	1.0
162.03040	1.3
166.19681	0.6
170.03580	0.9
173.91171	0.6
177.05434	2.9
181.06442	0.6
184.91972	0.6
193.06461	1.7
195.08197	2.9
205.06499	1.0
206.07280	1.9
207.08089	5.1
208.05205	0.9
209.05986	1.2
217.06564	0.8
219.08003	0.7
220.05266	0.9
221.06023	2.9
222.06758	2.8
223.07645	3.9
225.05515	0.7
233.06059	1.9
234.06802	4.1
234.24228	0.7
235.03973	1.3
235.07608	12.1
236.04738	0.6
236.08043	0.6
237.05505	2.3
245.05989	0.8
249.05499	1.7
250.06424	5.8
251.07153	12.5
261.05515	2.0
262.06281	2.6
263.07159	6.4
264.07861	0.8
266.09531	5.9
277.04916	0.9
278.05865	8.8
279.06641	85.5
280.06955	3.9
289.05121	0.7
290.05908	2.2
291.06641	35.4
292.07297	10.1
293.08163	3.4
294.05624	1.0
294.08923	7.6
305.08182	4.8
306.08990	28.0
307.06174	100.0
307.09497	6.5
308.06497	5.9
321.07758	10.8
322.08475	57.1
323.08813	4.0
337.07187	10.4
337.10953	51.3
338.11115	4.4
342.19727	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1659
Annotation	18-Cooh-19,20-ltb4
Peak:m/z	Relative Intensity
50.86374	0.9
57.03309	1.5
59.01240	13.2
62.94902	1.3
70.29720	1.0
71.01221	2.6
71.04867	2.3
71.44581	1.1
72.99167	2.1
73.02806	22.7
75.00717	5.4
81.03285	1.5
83.04837	1.5
85.02791	2.4
87.00710	9.6
93.03320	3.4
95.04861	2.8
97.02818	3.3
97.06425	6.3
99.04376	3.6
101.02333	2.7
107.04888	2.7
109.02786	1.8
109.33253	1.2
111.00739	1.4
111.04385	1.7
113.02310	4.4
113.05920	1.5
115.03925	1.4
119.04932	1.5
123.04407	5.6
124.26311	1.3
125.02307	21.9
128.97035	1.2
129.01820	1.6
133.06464	5.1
135.08037	1.3
139.03870	4.0
151.11165	4.3
153.12767	3.1
157.04982	2.7
163.07555	1.9
165.12741	6.3
173.04443	6.3
173.05849	1.6
177.12729	5.0
181.12225	5.0
183.13748	2.0
189.12759	1.9
191.10635	2.1
191.14328	5.4
193.12285	7.4
193.15897	1.6
195.10167	1.8
200.58324	1.4
207.13872	2.2
207.17976	1.3
213.16418	1.5
217.15863	7.5
219.13811	8.0
229.15976	3.0
231.13895	1.8
231.17506	20.8
233.15439	4.4
235.13416	5.0
235.16971	4.7
237.15036	3.3
247.17070	5.3
257.15457	17.1
263.12878	8.2
275.16516	23.0
276.16797	1.7
277.14401	1.4
281.13895	2.2
293.17624	40.3
294.18042	4.1
319.15558	31.8
320.15762	1.8
337.16577	100.0
338.16891	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	337.1657
Annotation	2'-Hydroxyzearalanol
Peak:m/z	Relative Intensity
55.01751	0.6
57.03316	0.9
59.01246	6.5
60.46556	0.5
61.09132	0.6
65.03851	0.5
71.01241	1.6
71.04879	1.2
72.99153	3.0
73.02819	4.7
75.00732	3.2
77.99474	0.6
79.98375	0.6
81.03322	1.6
81.99243	1.2
81.99644	0.6
83.04861	1.3
85.02791	0.9
86.29520	0.7
87.00714	4.5
95.04908	0.9
97.02815	0.9
99.04356	1.6
101.02341	0.8
107.04887	2.6
108.29013	0.7
109.02814	1.1
113.02312	6.6
119.04876	0.8
121.06433	0.8
123.04369	0.8
125.02309	44.3
133.06438	0.8
135.04388	1.3
151.11153	3.1
153.12752	3.3
157.08585	1.1
161.05942	1.0
163.07552	1.7
165.12701	7.0
173.04474	1.3
175.11153	1.9
177.12689	3.3
179.14325	1.4
181.12268	1.8
183.13797	2.3
189.05418	0.8
191.10677	1.5
191.14294	3.1
193.12254	13.5
205.15923	1.0
207.13893	1.0
207.17392	0.8
211.13225	1.0
217.15958	2.6
219.13817	3.8
219.17407	1.0
229.15990	1.6
231.17543	2.1
233.15413	2.4
235.13333	1.0
235.17030	2.6
245.15536	0.8
247.17133	3.9
249.14920	1.4
254.79935	0.7
257.15454	7.7
263.16635	0.8
273.14929	0.9
275.16556	7.8
276.17065	1.0
277.14484	2.2
291.15936	0.9
293.17526	1.8
301.14352	1.8
319.15500	49.9
320.15839	3.0
337.16580	100.0
338.16989	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	337.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64821	0.8
54.65871	0.8
57.03304	3.2
58.92615	1.0
59.01242	11.5
66.75268	1.0
71.01236	3.6
71.14175	0.9
76.65185	0.9
78.95764	2.4
80.79823	1.0
83.04865	2.2
91.72727	2.9
93.03324	1.8
95.04860	1.3
96.96816	1.3
99.08002	4.6
109.06414	1.2
111.08063	1.2
113.09555	2.5
116.87656	1.0
125.52612	1.1
129.09074	8.8
140.39366	1.2
141.09099	1.5
172.58260	1.4
173.04483	2.3
179.14398	2.0
188.61836	1.2
193.12207	1.2
193.15939	2.2
195.13760	2.3
207.13876	3.1
213.29176	1.4
218.10043	1.2
223.13397	7.8
225.14973	3.4
237.14946	17.2
275.23776	2.0
277.09265	1.5
279.23276	2.5
319.22733	11.8
337.07309	1.5
337.23871	100.0
338.24127	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	337.2387
Annotation	3beta,7alpha-Dihydroxy-8(17)-labden-15-oic acid
Peak:m/z	Relative Intensity
50.51625	0.1
53.66864	0.1
54.53980	0.1
59.01209	0.7
61.50820	0.1
62.61600	0.2
64.14476	0.3
67.11248	0.2
70.57281	0.2
73.02824	0.2
74.00159	0.3
74.00522	0.3
75.96859	0.2
79.05345	0.2
83.04890	1.0
86.49300	0.1
91.72782	0.2
92.02533	1.6
92.89658	0.1
93.03308	0.2
95.01211	0.4
104.39497	0.2
106.03399	0.3
106.04100	6.8
107.04903	1.5
108.01987	0.7
119.04903	2.1
121.02820	8.1
121.44688	0.2
125.05987	0.3
133.06433	0.4
137.02306	0.8
143.03282	0.2
151.03860	0.7
170.81323	0.2
173.04446	0.3
183.01080	0.2
235.95723	0.2
247.24326	2.2
249.22224	1.3
251.23848	1.2
255.04770	0.2
275.10928	0.7
275.23822	100.0
276.24158	7.2
276.27243	0.3
293.24890	1.4
319.22791	44.8
320.23169	3.9
337.23868	31.1
338.24292	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	337.2386
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
52.64821	0.8
54.65871	0.8
57.03304	3.2
58.92615	1.0
59.01242	11.5
66.75268	1.0
71.01236	3.6
71.14175	0.9
76.65185	0.9
78.95764	2.4
80.79823	1.0
83.04865	2.2
91.72727	2.9
93.03324	1.8
95.04860	1.3
96.96816	1.3
99.08002	4.6
109.06414	1.2
111.08063	1.2
113.09555	2.5
116.87656	1.0
125.52612	1.1
129.09074	8.8
140.39366	1.2
141.09099	1.5
172.58260	1.4
173.04483	2.3
179.14398	2.0
188.61836	1.2
193.12207	1.2
193.15939	2.2
195.13760	2.3
207.13876	3.1
213.29176	1.4
218.10043	1.2
223.13397	7.8
225.14973	3.4
237.14946	17.2
275.23776	2.0
277.09265	1.5
279.23276	2.5
319.22733	11.8
337.07309	1.5
337.23871	100.0
338.24127	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	338.989
Annotation	D-Fructose 2,6-bisphosphate
Peak:m/z	Relative Intensity
54.25677	0.3
55.86942	0.3
57.27489	0.3
57.52392	0.3
59.01244	0.7
59.39425	0.3
62.69266	0.3
66.56898	0.3
71.62315	0.3
72.99168	0.7
78.93681	0.7
78.95763	100.0
78.97577	1.6
83.34421	0.3
85.02802	0.5
95.29539	0.4
96.95819	1.1
96.96822	38.6
96.99341	0.5
138.97873	2.0
147.02766	0.4
148.75768	0.3
150.97887	1.0
158.92438	18.3
168.98969	0.5
176.93546	1.8
179.86414	0.4
223.00102	2.2
226.03786	0.4
241.01175	60.6
241.50150	0.4
242.01550	1.6
259.02249	2.9
274.23941	0.4
293.86261	0.3
294.96109	0.6
296.93802	0.3
320.97827	5.5
338.98898	45.8
339.99237	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0511
Annotation	5-Methoxy-6,7:3',4'-bis(methylenedioxy)isoflavone
Peak:m/z	Relative Intensity
55.08781	0.2
59.01247	0.6
63.29620	0.2
72.99168	2.7
78.97633	0.3
93.03293	0.6
96.95860	0.5
109.02826	6.1
115.32813	0.2
121.02809	0.8
133.02873	1.7
134.03629	0.8
135.04404	3.4
137.02330	0.7
139.03949	0.4
145.02805	0.7
147.04414	0.8
149.02293	0.6
157.02805	0.8
158.03610	0.7
159.04419	8.1
160.01767	0.3
161.02336	1.7
173.02365	0.7
174.03136	0.9
175.03900	2.1
177.01865	3.8
179.03416	3.7
183.04405	0.3
185.02391	3.2
186.03122	1.2
187.03952	0.5
193.06519	1.3
195.08017	0.3
196.05275	0.5
197.06042	1.2
203.03430	4.4
209.06006	0.8
210.06920	0.4
211.03888	0.6
211.07576	0.8
217.01237	0.3
219.04475	0.4
220.05273	0.6
221.06041	2.5
222.06717	0.7
223.03967	0.3
223.07559	0.6
224.04745	2.7
225.05565	2.2
232.05275	0.4
233.05980	0.4
237.05540	1.1
238.06364	1.2
239.07053	3.3
247.03935	0.3
248.04787	2.2
249.05559	5.6
250.06276	1.5
251.03464	0.5
251.07124	0.5
252.04395	0.7
253.04964	0.8
260.04825	0.4
261.05563	0.8
263.03659	0.4
264.04288	0.4
265.05127	2.4
266.05832	2.7
267.06674	4.6
268.06760	0.3
276.04245	1.7
277.05063	8.7
278.05844	3.4
280.03903	1.5
280.51675	0.3
293.04559	3.3
294.05276	2.8
295.02750	0.6
295.06134	12.2
296.06427	0.9
297.04123	0.3
314.60989	0.3
339.05121	100.0
340.01718	0.2
340.05429	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	339.0874
Annotation	Caledonixanthone E
Peak:m/z	Relative Intensity
59.01241	3.4
69.49267	0.6
73.63465	0.9
75.35057	1.2
75.35410	0.8
79.10329	0.6
82.86475	0.8
92.92631	1.0
139.92442	0.7
153.98036	0.7
181.06505	1.4
193.06514	1.4
208.05370	1.1
209.06003	2.6
221.05994	0.7
224.04776	0.7
237.05540	22.4
238.05835	1.6
250.06363	1.4
265.05048	1.2
265.08704	4.6
265.11285	0.7
269.66693	0.8
281.04556	90.6
282.04825	5.1
296.06808	0.8
309.04059	57.1
310.04483	4.3
324.06406	100.0
325.06772	7.3
339.08737	66.0
340.09161	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	339.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	3.3
71.58868	1.1
71.59216	0.6
73.38391	0.5
74.81364	1.1
74.81733	0.6
77.62513	0.4
78.71571	0.5
80.88883	0.8
91.72758	0.7
92.92656	0.6
93.03303	0.6
108.02050	0.7
123.04309	0.6
123.42293	0.5
145.02795	1.0
167.04900	2.0
178.22403	0.5
180.29976	0.6
195.04419	3.7
196.05077	0.8
209.06030	3.8
210.06720	1.3
222.06830	0.8
223.04001	2.7
224.04755	3.7
225.05254	0.8
237.05513	5.2
238.06311	14.3
239.03680	0.5
239.06831	0.7
247.04208	0.5
249.05489	0.6
252.07822	0.6
253.05038	0.9
265.04980	1.6
266.05853	97.3
267.06250	5.0
281.04849	1.1
281.08191	15.9
282.08569	1.0
294.05362	35.1
295.05795	3.6
296.06604	0.8
309.07697	100.0
310.08035	5.9
324.06537	4.0
339.08737	81.6
339.17899	2.4
340.09091	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	339.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45690	0.2
59.01246	0.4
59.27144	0.3
60.59483	0.3
68.99692	0.5
74.96410	0.3
80.75413	0.4
80.88926	0.5
88.44572	0.2
88.94073	0.3
91.05404	0.3
91.15003	0.2
91.72683	0.4
93.03311	6.0
103.05411	0.4
107.04896	0.5
108.02048	0.3
109.02808	0.4
115.05499	0.2
117.03359	1.1
119.04887	5.5
121.02818	4.3
123.04392	0.3
130.04163	0.6
131.04912	0.9
132.02084	0.3
133.02855	0.8
134.03632	1.0
135.04417	0.9
143.04916	0.7
145.02859	1.1
146.03639	0.7
147.04407	9.2
158.03574	1.3
159.04401	2.5
160.01620	0.4
161.02341	0.3
162.03238	0.3
163.03908	4.1
167.05005	0.3
169.06525	0.6
171.04391	0.5
173.02335	0.6
174.03113	1.4
175.03911	17.4
176.04698	4.3
180.05833	0.5
181.06532	0.6
183.08055	0.3
187.03923	3.2
193.06572	0.7
195.08058	1.9
196.05168	0.4
197.05966	0.3
204.04213	0.7
205.06537	0.3
206.07338	0.9
207.08037	1.7
208.03714	0.7
208.05370	0.5
208.08842	1.1
209.06042	1.9
209.09526	0.3
210.06856	2.0
211.07564	1.1
217.04887	0.3
217.06822	0.3
221.06160	1.0
222.06828	0.8
223.04144	0.3
223.07642	3.2
224.04820	0.6
224.08307	1.9
225.05562	0.9
225.09125	2.0
233.06088	0.8
234.06802	0.5
235.03995	0.4
235.07611	1.8
236.08354	1.5
237.05565	2.5
237.09198	0.9
238.06311	2.0
239.07129	3.1
248.04837	0.6
249.05626	1.1
250.06406	0.7
251.07095	5.2
252.07898	6.6
253.08662	5.4
254.09113	0.3
261.05768	0.4
262.06345	0.5
263.07202	1.7
265.05093	0.7
265.08691	0.9
266.05811	1.4
267.06641	10.0
268.07312	2.1
277.05157	0.4
278.05792	0.3
279.06592	4.1
280.07410	9.6
280.78336	0.3
281.08188	18.7
282.08572	1.1
283.06155	2.3
291.06702	1.0
293.08279	0.5
294.05206	0.3
295.06100	8.2
296.06934	5.5
297.07562	0.5
307.06088	0.6
308.06912	18.7
309.07690	34.4
310.07990	2.0
321.07523	0.5
339.08740	100.0
340.05228	0.5
340.09106	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	339.0874
Annotation	Paxanthone
Peak:m/z	Relative Intensity
51.30974	0.4
51.39188	0.4
59.01246	5.0
59.14840	0.5
62.39895	0.4
62.62504	0.7
63.27052	0.5
63.61366	0.5
65.03791	0.7
65.34957	0.5
65.69827	0.5
69.99306	0.7
70.15672	0.6
70.31947	0.6
74.66883	0.8
74.67245	0.6
80.08318	0.6
81.63501	0.6
88.22327	0.6
93.03316	40.5
95.04841	0.7
107.04880	0.6
117.03283	1.8
117.65116	0.6
119.04855	1.4
121.02780	1.1
123.04346	0.7
130.04059	1.6
131.04842	1.7
137.19701	0.5
143.04900	13.1
145.06519	0.6
164.06902	0.7
191.08551	1.8
193.06453	2.4
195.08044	2.2
207.08093	3.2
208.08841	0.9
209.06084	0.8
209.09613	2.0
210.06754	1.2
217.06607	0.6
219.04652	1.1
219.08095	15.3
220.05157	0.8
220.08490	1.0
221.05939	1.9
222.06645	1.1
224.04678	0.9
232.05455	0.7
233.06062	2.9
234.06804	2.2
235.07617	53.6
236.08386	75.4
237.09174	91.3
238.09540	4.6
247.07712	1.0
251.07199	4.7
252.04443	0.7
252.07303	1.0
263.07077	1.0
264.07938	3.3
265.08701	86.4
266.09067	5.0
268.07397	0.7
277.18011	0.7
279.06580	1.7
281.04599	0.7
281.08228	0.8
296.06766	1.7
309.07693	29.4
310.08011	1.6
324.02545	0.8
324.06387	16.9
339.08740	100.0
339.17734	2.4
340.09106	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	339.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30974	0.4
51.39188	0.4
59.01246	5.0
59.14840	0.5
62.39895	0.4
62.62504	0.7
63.27052	0.5
63.61366	0.5
65.03791	0.7
65.34957	0.5
65.69827	0.5
69.99306	0.7
70.15672	0.6
70.31947	0.6
74.66883	0.8
74.67245	0.6
80.08318	0.6
81.63501	0.6
88.22327	0.6
93.03316	40.5
95.04841	0.7
107.04880	0.6
117.03283	1.8
117.65116	0.6
119.04855	1.4
121.02780	1.1
123.04346	0.7
130.04059	1.6
131.04842	1.7
137.19701	0.5
143.04900	13.1
145.06519	0.6
164.06902	0.7
191.08551	1.8
193.06453	2.4
195.08044	2.2
207.08093	3.2
208.08841	0.9
209.06084	0.8
209.09613	2.0
210.06754	1.2
217.06607	0.6
219.04652	1.1
219.08095	15.3
220.05157	0.8
220.08490	1.0
221.05939	1.9
222.06645	1.1
224.04678	0.9
232.05455	0.7
233.06062	2.9
234.06804	2.2
235.07617	53.6
236.08386	75.4
237.09174	91.3
238.09540	4.6
247.07712	1.0
251.07199	4.7
252.04443	0.7
252.07303	1.0
263.07077	1.0
264.07938	3.3
265.08701	86.4
266.09067	5.0
268.07397	0.7
277.18011	0.7
279.06580	1.7
281.04599	0.7
281.08228	0.8
296.06766	1.7
309.07693	29.4
310.08011	1.6
324.02545	0.8
324.06387	16.9
339.08740	100.0
339.17734	2.4
340.09106	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	339.0875
Annotation	CHEMBL1801783
Peak:m/z	Relative Intensity
55.28377	0.3
57.11500	0.3
59.01240	2.3
69.81480	0.6
69.81807	0.5
72.99155	1.8
84.93814	0.3
88.75494	0.3
89.85717	0.3
93.00883	0.6
93.03313	54.3
93.05552	0.8
94.03647	1.3
95.04871	1.8
109.02799	0.6
117.03329	0.7
119.04893	1.1
120.63496	0.4
121.02827	0.4
122.51396	0.4
123.04364	0.5
125.09579	0.4
131.04909	0.7
132.05696	0.6
133.02814	0.7
135.04338	0.4
143.04907	3.7
145.02841	0.7
145.52843	0.3
151.11179	0.4
155.07162	0.3
158.03659	0.5
159.04390	4.5
160.27925	0.5
171.04405	10.0
172.04733	0.4
174.03181	1.7
177.12720	0.6
180.05673	0.3
181.06508	0.4
189.12717	0.8
195.08080	2.2
201.05351	0.5
203.03351	1.0
205.06438	0.5
206.07315	1.9
207.08058	1.8
207.13808	1.3
209.05875	0.7
215.03397	1.1
223.07646	4.0
224.08214	1.1
229.01344	0.5
233.05998	1.1
234.06821	2.0
235.07602	6.1
236.08165	0.7
237.05415	0.4
237.09111	1.8
245.04530	18.3
246.04907	0.6
249.05463	0.9
250.06284	1.3
251.07129	15.0
252.07906	100.0
253.08189	5.2
255.06575	0.5
262.06250	0.6
265.08691	0.5
267.10275	27.2
268.10550	1.8
277.05008	0.7
278.05771	2.8
279.06543	1.5
280.07428	2.6
283.31732	0.4
293.08243	3.9
294.08557	0.6
295.06042	1.3
295.09641	4.1
296.06909	11.1
296.09967	0.5
297.07211	0.5
311.09265	65.0
312.09604	4.0
339.01260	0.7
339.04901	1.7
339.08261	21.3
340.09006	1.4
341.38272	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	0.7
57.03320	1.9
59.01245	4.4
64.27215	0.3
68.72024	0.3
71.01237	13.3
72.40684	0.3
73.02789	0.7
75.00719	1.1
76.27109	0.3
78.95757	7.4
78.96203	0.5
81.03343	0.5
83.01241	12.5
83.04882	0.8
85.02787	2.2
87.00739	7.1
87.04372	3.9
89.02299	8.2
96.95866	0.9
96.96818	4.2
97.02821	0.5
99.00741	0.9
99.04383	0.6
101.02293	1.8
112.98660	0.6
113.02269	0.8
115.00262	0.7
115.03902	0.8
117.01778	0.7
119.03359	0.7
119.07787	0.3
121.02788	0.4
123.05580	0.3
124.03865	0.4
124.25498	0.4
127.00257	3.9
128.03365	0.8
129.01813	0.6
131.03442	0.5
133.00778	1.0
133.04941	100.0
134.05263	2.3
142.99759	1.4
143.03413	0.8
144.06569	0.8
144.10168	4.8
145.03868	0.6
145.04958	7.4
145.10550	1.4
146.08098	0.4
147.02846	0.6
147.06485	2.2
158.92413	1.2
159.02887	19.5
159.06514	5.7
160.03253	0.5
160.06038	0.4
161.04437	0.9
165.01949	0.4
173.00793	0.6
173.04340	0.8
175.00565	1.3
175.01973	0.4
189.07607	0.6
191.05544	2.9
195.05057	0.9
204.14767	0.4
205.07045	0.5
210.49927	0.4
236.05588	0.6
241.01187	3.9
320.97824	0.5
321.06464	1.1
338.98901	3.6
339.09308	0.5
339.12949	1.5
340.06848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1239
Annotation	Obovaten
Peak:m/z	Relative Intensity
59.01240	10.1
74.93561	0.9
78.95776	1.1
79.11282	1.1
85.42194	1.1
99.04382	1.3
105.26929	0.9
109.02820	1.0
126.73388	1.0
145.02852	3.8
163.03915	1.4
167.07140	2.0
179.07054	1.7
191.08621	1.2
193.06432	1.4
207.08131	1.9
217.06546	2.9
218.07394	2.1
219.08185	2.3
221.06126	2.5
223.07596	1.3
225.09183	1.7
233.06046	2.0
234.06793	1.8
235.07542	6.0
237.09160	1.8
239.07248	2.1
245.06183	2.4
246.06836	2.0
253.08653	5.5
257.78806	1.0
262.06345	2.0
263.07141	17.2
264.07742	1.7
265.08670	1.5
268.10995	2.8
273.05652	1.6
275.07211	2.3
276.07928	1.3
278.09464	1.0
279.06464	1.1
279.12576	1.4
280.07428	2.3
281.08197	28.5
291.06686	6.3
292.07349	3.0
293.08197	8.3
294.09003	3.0
295.09610	1.7
296.10583	3.6
307.09842	3.1
308.07056	1.9
308.10583	6.5
309.07724	100.0
309.10989	3.8
310.08023	4.0
323.09262	17.5
324.10028	65.1
325.10297	2.3
339.12390	58.8
340.13065	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	339.145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92101	0.2
58.48863	0.2
59.00180	1.3
59.01242	100.0
59.02474	1.8
60.01564	0.5
71.00524	0.2
73.02808	0.5
82.72157	0.2
83.85938	0.3
85.11208	0.2
99.08016	0.3
100.58775	0.3
125.09610	0.4
129.13161	0.2
137.06094	0.2
171.61861	0.3
231.10399	1.2
243.10359	0.3
249.11359	0.8
252.97502	0.3
261.11353	1.0
265.08862	0.3
308.87991	0.3
309.07553	0.4
324.06711	0.4
339.08658	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83546	0.5
58.99939	1.4
59.01244	100.0
59.02394	1.8
61.98701	0.8
65.03838	0.5
73.02805	0.4
78.95773	1.1
81.03340	2.0
83.04877	0.5
87.00745	0.6
91.72724	0.9
96.95866	0.6
96.96853	1.3
108.99600	0.6
109.02818	51.1
110.03162	0.8
110.69180	0.4
111.04417	0.6
121.02842	1.1
125.02329	0.6
134.04755	0.7
159.06548	0.8
161.03433	1.2
165.01862	0.9
173.52025	0.7
177.12776	1.4
187.79129	0.5
191.04636	1.6
192.05394	0.7
193.06247	0.6
195.11415	1.0
205.12282	0.6
219.04166	1.2
241.01309	0.8
249.11395	1.0
250.31215	0.5
251.06818	0.8
279.06305	4.4
279.12366	6.8
339.08289	6.0
339.11789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2177
Annotation	3alpha-Hydroxy-3,5-dihydromonacolin L acid
Peak:m/z	Relative Intensity
50.50985	1.2
51.61224	1.3
59.01237	5.3
73.96091	1.3
80.43386	1.3
91.73337	3.2
97.06441	3.2
101.05930	4.0
112.05114	2.0
116.75929	1.5
130.40627	1.8
139.11189	5.2
155.10655	18.7
178.09898	6.2
183.01102	4.5
193.15947	2.6
219.13937	4.1
235.13394	17.7
237.14934	100.0
238.15317	5.1
253.14445	13.9
264.13818	2.0
295.22787	1.6
303.19696	7.5
321.20718	97.4
322.21045	8.3
339.08386	3.6
339.16397	4.4
339.21893	10.3
339.25351	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0303
Annotation	Irisoid E
Peak:m/z	Relative Intensity
59.00969	0.6
59.01240	7.4
59.80252	1.2
66.02466	0.3
71.01225	1.6
81.03299	1.1
89.02299	2.6
89.03808	3.3
90.41217	0.3
95.01270	0.4
95.04847	0.3
101.02290	1.2
105.03323	4.0
107.01209	0.5
108.02019	1.3
108.12076	0.5
108.99886	0.4
109.02812	17.4
109.06172	0.3
109.46300	0.3
109.99901	0.4
110.03178	0.4
111.00735	0.6
113.02313	0.4
119.01260	0.7
119.03356	1.0
121.02837	0.7
123.00778	0.5
131.01297	0.5
133.02829	13.2
135.04387	0.8
136.01506	1.1
137.02316	0.7
147.00766	7.0
147.96883	0.4
148.01546	33.2
149.02359	3.5
159.04463	0.6
161.02325	1.1
161.05960	1.1
163.00249	0.7
163.03883	1.5
164.01050	1.3
169.06459	0.4
173.05971	0.9
175.00252	2.2
175.03926	0.7
176.01051	5.2
176.95833	1.1
177.01843	100.0
178.02153	3.8
179.05499	1.6
183.04340	0.7
185.05971	0.6
189.01976	0.4
193.12198	0.7
195.04439	0.6
196.05095	0.4
197.05986	1.1
199.03940	0.8
201.05516	0.5
202.99796	2.2
217.05032	0.6
219.29037	0.4
227.03435	1.7
241.05064	1.1
245.04521	9.3
246.04643	0.4
253.05055	0.4
268.03564	0.5
269.04501	2.4
295.02524	0.4
297.04135	1.9
297.07401	0.5
313.03558	2.2
323.01941	1.4
341.03040	72.9
342.03354	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43953	0.8
55.32092	0.4
57.03215	1.6
57.03490	1.1
58.00365	0.7
59.01138	28.0
59.02520	0.6
60.39578	0.5
61.98602	0.5
68.99589	0.7
71.01137	19.6
71.01574	2.8
71.04809	0.6
72.99091	0.9
73.02736	1.2
75.00657	0.8
76.79045	0.5
78.95693	0.9
81.03215	1.8
81.03643	0.6
83.01142	6.0
85.02709	3.1
87.00693	1.0
88.03848	0.5
89.02295	29.0
89.02813	1.6
93.03265	1.2
95.01157	1.5
95.04829	0.8
95.93225	1.4
96.94032	1.1
96.95782	1.2
96.96784	0.7
97.02734	1.6
97.23354	0.5
99.00652	0.8
99.04299	0.8
100.60139	0.5
101.02298	11.4
107.01180	1.9
107.04892	0.5
109.02820	4.9
111.04315	1.9
113.02302	10.1
114.05403	1.1
115.05016	0.5
119.03369	11.9
121.02741	0.7
122.03490	0.6
123.00583	0.8
123.04371	4.8
124.01511	0.6
125.02316	25.6
128.03366	0.7
131.03323	1.5
135.04306	0.7
137.01463	0.7
137.02339	6.6
138.82011	0.6
139.03883	5.3
143.03394	2.6
146.08057	1.8
149.02289	0.7
149.04475	1.0
151.00258	11.3
151.03902	6.5
153.01822	100.0
154.02141	1.2
161.02396	1.1
161.04446	5.2
161.08070	1.7
164.01076	1.9
165.01814	5.4
167.03391	6.3
173.04518	0.7
175.04031	1.0
177.01924	1.1
177.05550	1.2
179.03490	4.6
179.05533	14.2
179.07024	1.1
183.02907	0.7
203.03604	0.6
211.02251	1.0
219.06599	2.7
221.04710	1.9
226.12137	0.6
233.08228	0.6
239.01874	0.7
243.06702	0.6
261.07840	1.1
281.13007	0.6
305.03488	1.6
305.06680	33.0
306.07565	1.1
323.08438	0.5
341.04837	0.6
341.11615	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	341.0434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43862	0.9
53.52359	0.4
54.88035	0.5
57.03398	2.1
58.00272	0.5
58.00539	0.8
58.86328	0.4
59.00077	0.9
59.00827	1.3
59.00991	5.1
59.01321	33.8
59.02396	0.6
59.30791	0.4
65.00243	1.0
67.01814	0.8
68.99744	1.0
70.02582	0.5
70.02908	1.4
71.00893	2.0
71.01324	22.5
71.04613	0.6
71.04966	2.0
72.99222	0.9
73.02869	0.9
75.00761	0.5
78.95840	1.0
80.57987	0.5
81.03394	1.2
83.01326	7.3
83.13053	0.5
85.02811	3.3
87.00822	2.2
87.05565	1.4
87.57563	0.5
89.01777	1.8
89.02293	32.1
92.14671	0.6
93.03378	1.2
95.01283	1.2
95.04932	0.5
95.93310	7.8
96.94093	3.2
96.95934	1.7
96.96854	1.0
97.02842	1.3
99.00815	0.8
99.04424	1.2
101.02301	13.8
107.01323	1.9
108.02077	0.6
109.02809	5.7
111.00787	0.9
111.04443	1.9
113.02305	10.8
114.05541	1.8
115.05061	1.5
116.07027	0.6
119.03363	12.1
119.04137	0.7
121.02863	0.8
122.03648	0.5
122.95711	0.8
123.00806	1.7
123.04404	6.0
124.01558	0.9
125.02312	28.7
128.28551	0.6
129.10335	0.9
130.03169	0.6
131.03391	2.3
135.04425	1.3
137.02335	6.1
139.03874	4.1
139.98360	2.4
143.03406	3.4
146.08080	6.2
147.06633	0.7
149.04457	1.4
149.05919	0.6
150.03078	0.7
151.00253	12.5
151.03889	6.9
153.01822	100.0
154.02176	2.1
161.02304	1.3
161.04474	4.0
161.08073	1.5
164.01031	1.7
165.01860	4.8
167.03406	9.8
175.03883	1.0
177.05441	1.1
179.03455	4.4
179.05536	13.4
179.07001	0.6
183.02847	0.6
191.06999	0.8
203.03406	0.7
203.64438	0.5
204.04105	1.0
211.02020	2.1
219.06595	3.8
221.04329	1.6
226.11726	1.1
239.01433	1.4
261.07413	1.5
287.04858	0.5
305.06683	31.4
306.06583	0.9
321.59668	0.8
341.07809	33.2
341.17014	1.0
363.35605	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0668
Annotation	Dipteryxine
Peak:m/z	Relative Intensity
50.82625	0.4
52.03229	0.5
53.18299	0.4
59.01243	24.2
64.04700	0.5
70.82049	0.7
71.01241	4.4
77.36407	1.0
77.36803	0.9
85.02826	0.6
89.02299	5.9
97.83305	0.5
101.02293	3.0
102.43208	0.5
113.02313	2.2
119.01253	5.3
119.03366	3.2
119.04895	1.1
131.04903	1.7
133.02818	1.6
137.02382	1.0
139.05403	1.0
145.02834	0.8
149.05945	2.6
155.04915	3.7
157.25594	0.5
161.02324	0.6
163.03908	1.2
167.04898	6.5
169.02838	3.0
171.04332	0.7
173.00313	0.8
173.05936	0.7
177.01831	0.7
179.03658	0.4
179.05551	3.6
182.03670	1.7
183.04433	10.2
192.04225	3.1
193.03036	1.0
193.05040	2.8
195.04446	12.7
196.04814	1.1
198.03238	0.6
199.03957	0.6
200.27823	0.5
201.01872	0.9
201.05533	1.9
210.03136	2.1
211.03976	11.2
212.04321	0.8
213.05539	6.2
215.10771	0.7
218.55930	0.5
221.02408	0.9
222.03136	3.8
223.03984	7.8
225.05534	1.9
226.02669	2.8
226.06401	1.0
227.03519	2.1
228.30354	0.5
233.11829	5.6
237.05563	2.3
238.02702	3.2
239.03473	31.2
240.03995	2.0
250.02795	2.9
253.01357	0.7
253.05104	3.9
254.05844	12.1
255.03023	3.5
255.06419	0.5
255.09247	0.6
265.01694	0.6
265.05057	1.2
266.02274	4.0
267.02982	7.6
268.03784	0.7
270.05347	2.1
271.02545	0.8
281.01154	0.7
281.04523	2.8
281.07098	1.0
282.02133	1.9
282.05344	53.8
283.02493	5.7
283.05740	2.5
285.04010	0.9
297.04080	19.8
297.07706	4.7
298.04517	2.1
299.01971	17.2
300.02280	0.7
326.00745	0.4
326.04422	9.3
326.08148	1.4
327.04929	0.7
341.06705	100.0
341.10464	7.7
342.07056	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	341.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42635	0.1
54.67566	0.2
55.59779	0.2
59.01228	1.1
61.98668	0.5
63.54118	0.3
64.80771	0.2
67.46209	0.2
83.35535	0.4
83.35997	0.4
84.81947	0.2
89.02271	0.6
90.43435	0.2
91.73291	0.3
95.62163	0.2
101.02276	0.2
111.17710	0.2
113.02306	0.3
119.03316	0.2
127.05368	0.4
131.01218	0.3
139.05385	0.7
154.04118	0.5
155.04904	3.1
157.02913	0.3
159.04367	0.2
167.04926	6.3
168.05307	0.3
169.02698	0.3
171.04480	0.3
173.05925	0.3
179.05502	0.3
182.03650	1.3
183.04430	9.5
184.04793	0.6
194.03551	0.3
195.04442	7.7
198.03000	0.2
199.03949	0.5
201.05467	1.1
209.05991	0.3
210.03149	0.7
211.03941	58.1
211.11969	0.6
212.04265	2.6
213.05482	0.4
215.03410	0.5
222.03232	0.4
223.03960	4.0
224.04517	0.3
227.03592	0.5
229.05072	0.4
238.02573	1.5
238.06216	0.4
239.03467	27.5
240.03752	1.2
241.04929	0.3
242.02173	0.3
243.02904	0.8
250.02553	0.3
253.04984	1.3
254.02306	0.4
254.05809	1.7
255.02980	13.0
256.03433	0.7
257.04556	0.4
266.02197	0.6
267.02994	6.8
267.06479	0.6
268.03351	0.3
269.08185	4.4
270.05359	5.3
271.02451	0.6
271.05484	0.3
278.03867	0.2
281.04645	0.6
282.01974	0.5
282.05368	2.7
283.02493	23.4
284.02765	1.6
285.04178	0.9
297.04062	0.8
297.07657	5.2
298.04834	13.2
299.02011	1.1
299.05298	0.6
311.01987	21.3
312.02139	1.3
313.07159	0.5
314.04315	3.7
315.04636	0.3
326.04327	100.0
327.04651	5.9
341.06668	95.9
342.07034	6.6
342.10544	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	341.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37673	1.0
53.65768	1.2
59.01245	100.0
59.02422	1.4
67.01743	3.1
71.01243	16.5
72.99171	1.4
73.02779	1.9
83.01224	1.6
85.02825	4.2
89.02306	22.1
89.03836	8.1
93.03316	17.1
95.01258	1.6
101.02331	9.9
101.03831	22.6
105.03225	1.3
108.02036	79.9
108.50314	1.5
109.02873	3.1
113.02317	6.3
114.46822	1.4
116.05661	1.4
117.03326	58.8
119.03384	8.6
119.04874	7.5
121.02835	5.8
123.04399	42.1
123.07989	2.7
130.04103	1.4
133.02829	2.7
133.91815	1.6
134.03595	3.4
134.22205	1.6
135.04391	2.3
145.02841	26.6
146.03543	4.6
147.04384	3.4
159.90967	1.4
161.04544	2.2
161.05936	3.1
162.03117	18.5
163.03929	20.0
165.09163	2.4
167.03395	1.9
171.10197	1.6
173.02370	9.5
173.06018	4.1
178.94398	1.4
179.05571	10.4
189.01846	25.6
191.03427	37.3
191.10620	2.4
193.08665	2.0
209.06122	1.7
210.06892	1.9
215.10709	8.5
217.01389	63.2
218.01947	4.0
219.15863	1.3
233.11885	6.7
237.05583	3.0
245.11806	3.9
253.05110	22.5
254.05879	6.6
269.08270	6.5
281.13995	23.0
283.06110	1.7
292.97971	1.7
296.06897	3.2
297.04153	2.1
297.07715	1.7
297.11234	2.8
298.04980	2.4
311.05600	4.3
311.09216	7.4
313.07214	19.4
323.18625	2.4
326.07840	3.6
341.06613	30.3
341.10501	39.5
341.19696	24.8
342.10623	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0668
Annotation	Iriskashmirianin
Peak:m/z	Relative Intensity
50.73997	0.4
56.65490	0.5
59.00080	2.0
59.01243	94.0
59.02554	1.0
60.01575	0.7
65.03808	0.8
70.97625	0.4
71.01244	4.6
73.02808	0.4
76.48698	0.4
82.80863	0.4
85.02832	0.7
87.00743	0.5
89.02287	6.0
89.03809	1.1
89.67735	0.4
93.01017	1.5
93.03316	100.0
93.05906	0.9
94.03655	2.1
95.01279	0.6
97.02794	0.8
97.06441	1.8
99.02266	6.0
101.01215	0.7
101.02395	2.7
101.03828	40.2
101.06734	0.4
102.04131	0.8
103.05392	2.4
106.04127	0.5
108.02018	0.5
109.02831	2.5
113.02307	1.4
117.03308	5.1
119.03391	1.8
119.04890	3.4
121.02836	2.9
121.06460	12.2
121.07269	0.8
122.06833	0.5
123.04423	1.0
123.23149	0.5
125.02315	0.7
125.09580	1.3
131.04906	17.0
133.02838	1.4
134.03601	7.6
135.08070	1.1
137.02289	2.8
138.27316	0.5
142.06482	0.7
143.03404	0.6
145.02852	1.4
147.04382	2.6
149.02357	0.6
149.06003	1.4
150.03127	1.8
153.01814	2.2
159.00781	0.6
159.04428	3.7
161.02310	2.7
163.03903	2.1
163.11176	1.4
173.02319	3.3
174.02998	0.6
175.03822	0.5
177.01845	1.9
178.02588	2.5
179.05493	2.4
181.06459	0.8
181.12331	1.2
186.05609	0.6
190.96671	0.9
191.03424	57.8
192.03978	2.3
193.01350	2.5
193.05064	1.4
195.08008	0.7
203.03529	1.0
207.10240	4.2
209.06068	1.1
214.05054	3.1
215.10773	0.8
217.01373	2.5
219.02943	26.7
220.03387	0.8
221.04562	2.0
225.05533	2.0
225.11273	2.7
225.78819	0.7
226.06331	4.9
233.11839	1.3
237.05708	1.0
247.02475	57.7
248.02765	3.0
248.05028	0.4
253.05052	7.7
254.05850	8.3
257.04709	0.6
261.18658	1.7
269.04916	0.4
269.08261	1.8
270.05377	1.1
279.19614	1.0
281.04581	1.3
281.13678	0.7
297.04083	7.4
297.07333	1.0
298.04800	5.3
305.17526	3.7
311.09290	1.4
313.07199	8.7
314.07639	0.6
323.05789	0.6
323.18668	2.5
326.04337	1.1
341.03281	1.5
341.06729	27.3
341.10663	3.9
341.19727	18.3
341.23270	0.4
342.06961	1.6
342.19785	0.8
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
53.36888	0.5
59.00976	0.6
59.01241	8.7
60.96626	0.4
63.23171	0.4
64.96834	0.4
70.02844	2.8
71.01238	5.9
71.04871	3.9
73.97839	0.4
75.98629	0.4
85.02795	1.7
87.05498	2.7
89.02296	8.2
95.01224	0.5
95.93311	18.5
96.94098	7.6
97.03919	0.5
99.04361	1.5
101.02296	2.6
113.02264	2.5
114.05441	0.9
115.05002	3.5
116.07007	1.1
119.03352	3.7
122.95671	2.8
130.03154	1.6
139.98318	5.0
143.03346	0.6
146.06969	0.9
146.08113	15.7
148.06148	1.0
152.59421	0.5
161.04477	1.2
179.05542	3.3
211.02121	5.7
217.11868	1.0
220.71439	0.5
239.01607	4.5
268.57434	0.5
275.10733	0.6
341.08398	100.0
342.08737	2.6
363.83600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0878
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
50.41303	0.2
51.05202	0.2
52.39132	0.3
53.40342	0.2
59.01240	3.0
59.01504	0.2
62.15495	0.2
67.15056	0.2
70.29716	0.2
71.01250	1.6
72.99165	3.3
75.00747	0.3
85.02816	0.3
87.00751	0.2
89.02283	2.1
91.73376	0.4
95.47102	0.2
97.71480	0.2
98.95461	0.2
101.02327	0.8
103.00256	0.7
105.47792	0.2
107.04900	0.8
113.02338	0.5
114.46368	0.2
117.03338	0.3
119.03384	0.5
133.02785	0.3
134.03621	2.9
135.00163	0.9
135.04396	85.0
136.04738	2.4
145.67406	0.3
148.70959	0.2
151.00294	0.2
151.93123	0.2
161.00824	1.5
161.02110	0.3
167.35962	0.2
175.22652	0.2
177.93993	0.3
178.96930	1.0
179.03410	100.0
180.02258	0.4
180.03754	3.8
223.91417	0.3
248.61539	0.3
305.12326	0.5
341.08649	8.9
342.08890	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18209	0.5
54.03115	0.4
57.81690	0.5
58.06791	0.4
59.01247	5.3
60.90174	0.7
68.19184	0.5
71.01243	2.7
72.97482	0.5
72.99166	34.6
79.05380	1.2
79.33500	0.5
81.03325	1.3
89.02293	4.1
91.05377	6.1
93.01903	0.5
93.03325	0.7
93.06943	0.9
95.04935	0.5
96.95898	0.6
97.06461	1.2
99.22824	0.5
101.02312	1.1
103.99900	0.5
107.04860	1.3
108.02026	0.8
109.02833	0.7
113.02254	0.8
113.40282	0.5
119.03397	1.1
119.08485	0.7
120.05679	1.2
121.02836	1.2
121.06401	1.0
121.10054	0.7
123.04390	12.6
127.00198	0.6
131.08553	1.6
133.06474	1.2
133.10081	2.5
134.03633	1.6
134.07207	2.9
135.04385	2.0
135.08051	2.6
137.02287	0.9
145.06491	1.5
146.07228	1.0
147.08025	3.5
148.05243	0.7
149.04637	1.1
149.09608	87.1
150.03043	0.7
150.09926	3.4
151.11176	2.5
159.08046	1.1
161.09601	8.0
163.07535	1.1
164.08377	2.9
175.07504	1.2
177.09123	2.9
178.02425	0.7
179.03549	0.7
179.05519	1.5
179.10686	33.1
180.11047	1.2
187.07602	0.7
191.10695	1.1
193.08636	1.6
205.08650	4.4
207.10143	1.2
217.08632	0.9
223.00476	1.2
223.09712	100.0
224.10049	4.2
228.62172	0.5
235.09656	1.6
251.09215	1.3
262.05966	0.5
267.08749	53.8
268.08957	3.0
279.08646	1.9
279.72479	0.5
281.72534	0.6
297.09848	0.6
323.07794	5.1
341.08728	48.4
342.08856	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	341.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56175	0.3
56.05485	0.2
57.03336	0.3
59.00074	1.9
59.01244	100.0
60.01570	0.4
61.98700	0.3
65.00172	0.3
65.37569	0.3
67.01745	0.3
68.30862	0.3
71.01241	4.8
72.99168	5.8
72.99575	0.3
73.02794	0.3
77.52096	0.3
81.03308	1.4
83.01264	0.5
85.02805	1.1
87.00713	0.7
87.81942	0.3
89.02305	7.0
93.03313	0.3
97.02815	0.4
99.00736	0.4
99.08019	5.4
101.02304	2.7
101.72661	0.3
102.98441	0.6
106.04096	1.1
107.04904	1.4
109.02812	2.1
109.06421	0.9
113.02306	2.1
115.00205	0.3
119.03370	2.0
119.04834	0.4
121.02780	0.4
122.03600	2.0
130.08565	0.4
131.08498	0.5
134.03622	2.4
135.64763	0.3
137.09622	0.3
143.03374	0.6
147.10670	0.4
147.11694	5.4
149.09558	0.6
150.03088	0.5
151.00252	1.9
161.04347	0.8
163.11195	5.8
164.11519	0.6
165.12753	11.5
166.13094	0.4
173.09465	0.4
175.02376	0.5
177.01801	0.6
178.02568	0.9
179.05550	3.4
179.07007	0.7
179.10678	2.9
181.08575	0.3
181.12170	0.8
187.07434	0.3
189.96103	0.3
191.10709	8.1
192.10991	0.5
201.12666	0.3
205.08598	1.0
207.10210	1.8
208.13899	0.3
209.09999	0.3
209.11789	5.3
223.09706	3.9
235.09737	26.2
236.10071	1.3
237.00337	0.6
253.10748	0.7
267.08612	1.0
267.96875	0.3
279.08792	1.3
281.13983	0.5
322.32562	0.3
323.07715	2.7
341.08508	13.3
342.08774	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	16.6
63.19035	0.6
71.01235	6.2
71.97823	0.6
83.36445	1.4
83.36881	1.0
87.00683	1.0
89.02292	7.4
101.02331	3.5
109.02783	0.9
111.04361	1.4
113.02266	2.8
119.03311	2.8
133.02840	1.2
134.03584	1.4
149.05884	1.4
161.04349	1.2
167.03429	1.2
169.91885	0.7
171.04396	0.7
179.05536	5.0
183.01158	0.9
184.86250	0.7
192.04144	3.1
201.01782	1.6
209.05956	1.4
210.06755	1.2
211.03918	3.1
211.07550	1.4
215.03363	1.3
221.05850	0.8
222.06888	1.0
223.07477	1.7
224.08421	0.8
225.05457	0.7
226.06293	2.2
227.03366	0.9
233.11801	1.4
237.05522	5.0
238.06261	3.5
239.03471	10.0
239.07111	17.8
240.03798	0.9
240.07521	0.8
241.05168	1.0
241.08592	1.2
243.02879	1.0
252.07863	3.1
253.04962	1.1
254.05774	2.2
255.06528	0.9
266.05844	48.0
267.06573	30.0
267.10220	7.1
268.06845	1.8
269.04614	3.9
271.02478	1.3
281.04977	1.0
281.08163	13.9
282.05380	2.1
282.08676	1.2
283.02570	0.9
283.05914	1.2
299.05469	3.8
311.05640	7.2
323.09015	0.8
326.04703	3.5
326.07956	90.7
327.08350	6.1
341.06882	4.9
341.10330	100.0
342.10733	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	341.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10550	0.2
59.01241	9.2
59.02404	0.2
60.39882	0.2
61.98704	1.0
62.96138	0.2
63.53955	0.2
67.01749	8.0
71.01229	1.0
72.18832	0.2
82.00462	0.3
87.80762	0.2
89.02300	1.1
92.02531	2.8
93.03313	60.6
93.05597	1.0
94.03640	1.2
95.01241	1.4
95.04870	0.8
101.02292	0.6
101.03802	1.1
101.89630	0.2
101.90179	0.2
108.02037	5.4
113.02284	0.3
117.03313	0.6
119.03380	0.6
119.04881	0.6
120.02039	0.9
121.02818	2.5
121.06393	0.3
123.04379	5.4
125.02332	0.2
130.04105	0.5
131.04926	0.9
132.01988	0.2
132.45010	0.2
133.02843	3.1
134.03596	0.6
135.04366	0.3
143.03525	0.2
143.04904	0.9
145.02838	0.6
145.06470	1.2
147.04401	9.6
149.02357	0.2
158.03625	1.1
159.04422	0.9
160.05147	0.3
161.04710	0.2
161.05952	1.3
162.03128	1.0
163.03909	1.1
171.04382	0.7
172.05110	0.4
173.05981	11.5
174.06258	0.3
175.03844	0.4
179.05553	0.6
189.05441	0.3
191.03447	1.5
191.07079	0.5
219.02960	0.5
223.07608	0.2
225.05611	0.3
236.08372	0.4
237.09142	0.5
247.02489	1.1
251.07231	0.2
253.08650	1.4
254.05775	0.4
264.07788	0.2
265.08777	0.4
269.07297	0.2
281.08078	0.4
282.08319	0.2
283.09131	0.2
289.64282	0.5
293.08124	0.7
294.08597	0.3
296.06726	0.2
309.07690	0.3
310.07770	0.4
311.09125	1.5
323.09238	1.5
339.08661	0.4
340.09213	0.5
341.10306	100.0
341.26682	0.8
342.06540	0.3
342.10693	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10550	0.2
59.01241	9.2
59.02404	0.2
60.39882	0.2
61.98704	1.0
62.96138	0.2
63.53955	0.2
67.01749	8.0
71.01229	1.0
72.18832	0.2
82.00462	0.3
87.80762	0.2
89.02300	1.1
92.02531	2.8
93.03313	60.6
93.05597	1.0
94.03640	1.2
95.01241	1.4
95.04870	0.8
101.02292	0.6
101.03802	1.1
101.89630	0.2
101.90179	0.2
108.02037	5.4
113.02284	0.3
117.03313	0.6
119.03380	0.6
119.04881	0.6
120.02039	0.9
121.02818	2.5
121.06393	0.3
123.04379	5.4
125.02332	0.2
130.04105	0.5
131.04926	0.9
132.01988	0.2
132.45010	0.2
133.02843	3.1
134.03596	0.6
135.04366	0.3
143.03525	0.2
143.04904	0.9
145.02838	0.6
145.06470	1.2
147.04401	9.6
149.02357	0.2
158.03625	1.1
159.04422	0.9
160.05147	0.3
161.04710	0.2
161.05952	1.3
162.03128	1.0
163.03909	1.1
171.04382	0.7
172.05110	0.4
173.05981	11.5
174.06258	0.3
175.03844	0.4
179.05553	0.6
189.05441	0.3
191.03447	1.5
191.07079	0.5
219.02960	0.5
223.07608	0.2
225.05611	0.3
236.08372	0.4
237.09142	0.5
247.02489	1.1
251.07231	0.2
253.08650	1.4
254.05775	0.4
264.07788	0.2
265.08777	0.4
269.07297	0.2
281.08078	0.4
282.08319	0.2
283.09131	0.2
289.64282	0.5
293.08124	0.7
294.08597	0.3
296.06726	0.2
309.07690	0.3
310.07770	0.4
311.09125	1.5
323.09238	1.5
339.08661	0.4
340.09213	0.5
341.10306	100.0
341.26682	0.8
342.06540	0.3
342.10693	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1028
Annotation	UWM6
Peak:m/z	Relative Intensity
53.33833	0.3
59.00965	0.5
59.01241	6.8
65.03801	1.4
68.99660	0.8
70.40980	0.4
71.01237	2.0
72.60665	0.5
81.03317	0.6
81.39336	0.9
85.02814	0.4
89.02287	2.8
91.01756	0.6
93.03318	12.5
95.04864	1.1
101.02288	0.8
103.05383	1.7
105.03306	1.3
108.02027	1.2
109.02798	0.9
113.02326	0.9
115.05416	0.5
117.03320	1.5
119.03368	0.9
119.04876	4.5
121.02819	7.6
123.04368	1.5
130.04099	2.8
131.04903	5.8
133.02861	1.1
134.03557	0.5
135.04407	1.6
143.04927	3.0
145.02806	3.7
146.03607	4.5
147.04407	12.5
149.05971	4.6
157.06555	0.7
158.03615	10.0
159.04420	10.6
160.05136	1.1
161.04642	0.5
161.05981	1.1
162.03116	2.1
163.03888	1.7
165.05450	2.0
171.04376	2.8
172.05139	0.6
173.05824	0.6
177.05470	3.5
178.02628	0.7
178.06227	1.8
179.05539	1.4
180.05705	0.5
185.06041	2.1
187.03923	2.9
193.04976	1.4
193.06577	1.2
194.07201	1.1
195.08101	1.6
197.06052	0.6
205.06427	0.9
206.07327	1.1
207.08086	3.1
208.08844	0.8
209.06059	0.6
209.09671	1.9
210.05168	1.0
210.06927	0.6
211.07552	1.6
212.04715	2.0
213.05539	1.1
217.06487	0.5
218.07413	0.8
219.08153	2.7
220.08867	2.0
221.06053	2.1
221.09531	0.8
222.06808	2.3
223.07603	3.4
224.08350	1.5
225.05637	0.9
225.09088	2.1
226.06282	0.6
227.07126	0.7
232.05147	0.8
233.06067	0.7
234.06816	0.8
235.07593	4.3
236.08315	2.1
237.09146	2.8
238.06430	0.6
239.07130	3.5
240.07765	0.6
241.05089	4.9
241.08727	0.7
245.06152	1.1
246.06914	1.0
247.07640	3.1
248.04716	0.7
248.08298	1.0
249.05585	2.4
249.09116	1.5
250.06313	1.5
251.07123	2.2
252.07851	2.6
253.08681	9.0
254.05914	1.0
254.08995	0.7
263.07150	5.4
264.07932	7.7
265.08688	10.3
266.06052	0.7
266.09134	0.9
267.06683	4.7
268.07278	1.4
269.08212	1.6
275.07065	0.7
279.06607	1.7
280.07224	1.0
281.08185	15.4
282.08936	5.6
283.09738	2.3
291.06705	0.6
292.07480	0.8
293.08194	10.8
294.08673	1.0
297.07697	6.0
297.11325	2.7
298.08362	1.6
309.07724	1.8
310.08478	8.1
311.09268	55.0
312.09518	3.7
323.09390	0.7
326.07959	1.4
341.10324	100.0
342.10669	6.2
350.55313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78340	0.5
55.45337	0.5
57.32459	0.4
59.00982	0.5
59.01243	6.9
59.61725	0.5
67.01717	0.4
69.02957	0.9
69.03312	11.1
71.01231	3.7
78.70970	0.4
78.81421	0.4
82.37705	0.4
83.35981	0.6
84.01984	0.5
85.02796	0.6
89.02298	4.3
91.72716	0.8
93.03300	2.6
95.04858	0.9
97.06448	0.6
98.91284	0.5
101.02288	1.3
106.04064	0.7
108.02013	0.9
109.02812	4.0
113.02301	0.8
116.60256	0.5
117.03337	0.6
119.03355	1.2
119.04873	1.7
121.02821	13.7
121.06457	0.6
122.03611	6.9
123.04390	12.9
123.07963	2.1
125.09550	2.9
131.04910	0.7
132.05687	0.8
133.06456	1.0
135.04402	3.3
135.08023	1.3
135.50911	0.5
137.02332	3.9
141.09065	0.9
143.04886	1.9
145.02821	2.0
147.04378	4.0
149.02319	1.5
155.04907	1.1
158.03587	0.7
159.04399	3.6
160.05226	2.3
161.04520	0.5
161.05934	1.8
162.03110	1.0
165.05490	1.0
167.04884	1.8
171.04424	2.2
171.10182	1.2
173.05933	1.9
175.03918	5.4
176.04698	27.6
177.05191	1.1
179.05444	1.6
183.04419	2.5
185.11722	0.6
187.03932	0.7
189.05478	2.1
191.07063	0.6
195.04422	1.6
199.09726	0.9
200.10545	0.7
211.03949	15.8
212.04294	0.9
223.03937	1.3
238.02722	0.5
239.03464	9.4
243.17442	1.7
247.07526	0.6
252.07788	0.6
253.05089	1.1
253.08063	0.7
254.05794	1.1
255.03040	4.1
261.18576	1.9
263.07187	2.4
264.07993	2.8
265.08661	2.5
267.02975	2.1
269.08234	1.4
270.05347	2.2
279.19656	2.0
281.04562	0.9
281.07928	0.7
282.05301	0.6
283.02512	7.7
283.05786	0.5
287.16568	3.8
291.06577	0.7
292.07397	1.7
293.08145	3.4
296.06564	0.6
297.04385	0.6
297.07547	2.6
298.04883	4.7
305.17596	10.6
311.01965	7.6
311.09320	5.4
314.04364	2.0
323.09061	1.4
323.18631	1.9
326.04324	33.1
327.04593	2.0
341.06546	31.4
341.10269	100.0
341.19617	44.2
342.06897	1.8
342.10635	6.0
342.19873	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1088
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
53.32745	0.7
55.01768	1.2
57.03305	0.8
58.00461	1.4
59.00066	1.9
59.01243	99.4
59.02538	1.6
60.01596	1.3
60.65208	0.8
65.82597	1.0
70.99700	1.2
71.01240	60.3
71.02947	1.3
72.01601	1.1
72.99152	1.3
73.02792	1.8
79.16663	0.8
80.47776	0.8
81.92464	0.7
82.21780	0.8
83.01237	2.5
85.02803	9.9
87.00739	3.6
89.00140	1.5
89.02297	100.0
89.04709	1.4
90.02618	0.9
95.01247	2.7
98.90071	0.8
101.02303	35.1
101.11452	0.8
113.02309	30.0
113.03104	1.5
119.03369	34.3
131.03375	4.4
143.03391	7.1
149.04478	4.4
161.04431	12.1
169.25140	1.0
179.03947	1.9
179.05527	39.0
180.05856	1.0
181.23267	0.9
219.68330	1.1
251.16710	1.0
341.10916	54.9
342.11234	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	341.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47110	0.7
55.45786	1.0
57.03312	1.1
57.22403	0.7
58.00457	2.0
59.00130	1.6
59.01242	100.0
59.02457	1.6
71.01239	41.2
71.01636	2.0
71.02832	0.9
72.99166	16.4
73.02782	1.5
73.36543	0.8
83.01238	2.7
85.02813	6.6
86.95409	0.8
87.00738	2.0
87.30154	0.9
89.02297	62.6
89.04594	0.9
90.42884	0.8
95.01248	2.0
101.02308	38.6
101.03819	1.1
107.01233	1.2
109.02831	2.0
113.02299	15.7
118.55905	0.9
119.03379	41.7
119.04870	22.1
127.00256	6.7
131.03381	3.0
133.02803	1.0
133.03731	0.9
133.10112	1.2
135.04327	1.2
141.03345	4.2
143.03404	4.7
147.04401	4.9
149.04416	2.4
149.09604	3.6
151.00275	2.8
159.04262	1.3
161.05974	99.6
161.09654	2.4
162.06361	3.6
163.11131	1.3
169.02841	11.9
175.03935	3.9
177.09108	1.3
178.02606	1.1
179.05557	8.3
179.10701	1.8
181.87871	0.9
185.02313	2.4
187.03903	3.5
197.02376	12.7
213.01891	3.9
223.04030	2.0
223.09732	4.2
225.01920	3.1
235.09735	3.5
241.01408	3.8
251.03499	3.5
265.84363	1.0
267.08652	2.6
268.00259	1.2
268.03055	0.9
269.00946	32.7
269.03958	1.6
270.01181	1.7
279.02991	13.4
279.06516	3.7
279.09238	1.2
295.08118	3.5
297.00449	67.3
297.03903	6.1
297.07657	4.5
298.00754	4.2
323.07828	8.8
340.99487	7.8
341.08426	10.0
341.12482	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	341.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70438	0.1
58.99982	1.7
59.01242	100.0
59.02332	1.6
60.01576	0.6
67.43503	0.2
71.01243	0.8
72.28793	0.2
73.09370	0.2
80.60314	0.2
81.03315	0.5
85.02772	0.2
89.02287	1.2
93.03309	0.2
99.08047	0.3
101.02317	0.4
107.04933	0.2
109.02821	2.2
113.02314	0.3
119.03360	0.5
119.04881	0.4
121.06487	0.9
123.04408	0.3
123.08041	1.3
147.42992	0.2
148.05202	0.2
149.05960	1.7
163.11203	0.9
171.04381	0.3
172.05214	0.6
177.09096	0.3
177.12775	0.5
178.09955	0.3
179.05495	0.3
187.11191	0.4
190.09926	0.4
191.10666	0.5
203.10722	0.5
205.08614	1.5
205.12289	1.7
211.03969	0.3
215.10727	8.0
216.11060	0.3
231.10242	0.6
233.11803	47.4
234.12163	2.0
238.24373	0.2
239.03590	1.0
244.83307	0.2
251.12892	3.0
263.12775	0.3
264.00632	0.2
267.02948	0.4
282.05365	0.8
297.07684	0.8
311.01935	0.2
311.09158	0.4
325.06348	0.5
326.04202	0.4
326.07584	0.3
341.06482	0.4
341.10358	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59391	0.2
58.59784	0.2
58.99959	1.5
59.01242	100.0
59.02349	1.8
60.01578	0.5
61.98689	0.9
65.03815	0.3
66.61628	0.2
67.01745	2.2
71.01244	1.7
73.02782	0.3
77.89748	0.3
89.02300	2.4
91.05372	0.4
92.02536	0.6
93.00829	0.6
93.03315	44.3
93.05536	0.6
94.03658	1.2
95.01231	0.5
95.04871	0.3
97.02821	0.3
97.06449	0.6
99.02259	1.8
101.02335	0.8
101.03829	14.6
102.04158	0.4
103.05400	0.7
108.02028	1.3
109.02810	1.1
113.02301	0.7
117.03329	1.6
119.03331	0.5
119.04871	1.3
121.02817	1.2
121.06460	3.9
123.04387	1.3
125.09582	0.5
130.90582	0.3
131.04900	6.9
133.02812	1.2
134.03627	2.7
135.08054	0.5
137.02299	0.9
145.02837	0.4
145.06442	0.4
146.03632	0.5
147.04366	2.5
149.02301	0.6
149.05969	0.6
150.03064	0.6
153.01822	0.6
159.04419	1.7
161.02310	1.0
161.04445	0.3
163.03896	0.9
163.11163	0.4
171.04445	0.3
172.99028	0.6
173.02307	0.9
173.06004	2.3
177.01947	0.3
178.02577	1.3
179.05486	0.7
181.12236	0.3
186.05586	0.3
191.03426	18.2
192.04012	0.9
193.01364	0.4
193.04906	0.4
207.10255	1.5
209.05898	0.4
214.04987	1.1
215.10742	0.6
217.01247	0.8
219.02927	8.0
221.04539	0.8
225.05528	0.8
225.11203	1.1
225.78598	0.4
226.06320	1.8
233.11761	1.1
247.02473	21.6
248.02835	0.8
253.05096	2.9
254.05785	2.6
269.04623	0.3
269.08115	0.9
281.04422	0.6
281.08139	0.3
281.13809	0.9
296.06866	0.4
297.01111	0.3
297.04108	2.5
298.04849	1.3
305.17480	1.1
311.09103	1.1
313.07224	3.7
323.18546	0.8
341.06476	10.9
341.10205	18.7
341.19583	6.0
342.06900	0.5
342.10394	1.4
342.19778	0.4
357.17908	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.197
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
51.39412	0.3
51.39671	0.3
53.41436	0.3
57.03318	0.7
59.01244	10.7
66.50050	0.3
71.01253	2.8
80.60706	0.7
80.61161	0.7
84.10770	0.4
85.02791	0.5
89.02303	4.8
89.32037	0.3
90.41325	0.4
95.04872	0.4
97.06442	2.4
99.11646	0.3
101.02315	1.7
106.04041	0.5
109.02840	0.5
109.06429	0.4
113.02301	1.1
119.03383	1.5
119.04846	0.4
121.02859	0.5
123.04426	0.3
123.08030	3.6
125.09590	8.4
135.08046	3.4
141.09077	0.5
145.02817	0.7
153.09084	1.7
160.53572	0.4
161.05957	0.6
163.11255	0.5
171.10185	1.6
176.04671	0.6
177.09103	0.7
179.05618	1.7
179.06975	0.6
183.01161	1.5
185.11748	0.8
185.38319	0.3
189.12825	1.7
191.10544	0.5
199.09680	0.6
211.13353	0.6
213.11221	0.8
233.11847	0.7
243.17551	5.2
251.20290	0.6
259.17108	0.9
261.18604	5.4
269.15402	0.6
277.18073	0.4
279.19690	3.9
287.11816	0.4
287.16602	9.8
288.16803	0.7
297.20630	0.7
305.17596	35.1
306.17987	2.2
316.59598	0.4
323.18643	2.1
326.04507	0.5
341.11032	4.8
341.19739	100.0
341.35938	1.0
342.20062	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2123
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
59.01240	0.5
67.27337	0.4
70.64572	0.4
75.35435	0.3
79.51826	1.0
79.52247	0.7
92.02526	2.2
93.03286	0.5
95.01232	0.7
106.04101	8.9
107.04895	5.1
108.02008	0.5
119.04890	27.3
121.02821	8.3
133.06462	6.8
137.02306	0.5
144.18628	0.5
147.08020	1.0
158.79808	0.4
161.09618	1.5
163.11180	0.6
175.11195	1.7
189.12807	1.3
191.14429	0.4
201.12827	0.6
203.14362	1.8
215.14218	0.7
217.15869	0.8
225.12811	0.8
239.14354	0.7
253.15891	0.7
267.17609	0.5
281.19196	2.3
282.33102	0.4
295.20660	6.6
296.20886	0.7
297.22241	49.7
298.22556	3.6
321.58344	0.4
325.92474	0.4
338.81116	0.4
341.21219	100.0
342.21570	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	341.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15249	0.4
54.64308	0.5
57.03302	0.9
59.01244	19.5
71.01239	9.1
72.99155	0.7
73.02795	0.6
74.99911	0.5
76.74382	0.5
77.42502	0.5
79.13663	0.5
82.44739	0.6
85.02805	3.3
87.00723	2.2
89.02296	13.3
91.31781	0.5
95.11389	0.6
97.06478	1.4
101.02318	4.3
113.02308	3.0
113.09559	1.9
115.00239	2.3
115.07512	1.2
119.03374	5.2
126.95004	0.6
128.03336	0.8
131.03363	0.9
141.09050	1.4
143.03366	0.9
149.09650	0.6
157.01317	2.5
161.04422	1.8
165.12737	2.0
167.14349	1.1
175.02432	0.8
179.05553	6.2
181.12257	2.5
183.01237	1.0
183.13815	7.0
186.08495	0.6
193.12225	1.3
195.13879	1.6
199.00616	1.7
211.13380	2.6
220.95572	0.6
221.15323	1.5
229.14438	0.8
240.13644	1.5
247.20639	3.2
260.38486	0.6
273.18600	2.7
275.23590	0.6
281.21213	1.6
291.19672	30.4
292.19910	2.6
300.35117	0.6
309.20731	100.0
310.21042	6.4
341.10898	9.0
341.18060	4.8
341.23248	0.8
342.11087	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62186	0.4
53.00775	0.5
53.96635	0.5
57.03318	0.6
59.01243	18.9
67.76850	0.5
71.01241	9.9
71.60796	0.5
71.79988	0.6
71.80401	0.5
83.04944	0.5
85.02802	4.5
85.03168	0.5
85.79931	0.5
87.00742	3.1
89.02296	13.3
89.09810	0.5
95.01266	0.9
95.04894	0.6
96.95866	0.5
97.02863	0.7
97.06454	1.1
101.02306	5.7
113.02307	4.6
113.09592	2.1
115.00243	2.3
115.07507	1.2
119.03379	4.8
119.04893	0.6
121.87700	0.5
125.05896	0.9
126.03329	0.5
126.06678	0.9
139.11215	0.7
141.09094	1.2
143.03372	0.7
149.04405	0.6
153.02989	0.5
157.01332	3.0
161.04449	1.6
165.12753	2.3
167.14297	1.7
176.98065	0.7
179.05547	6.2
180.87570	0.6
181.12312	2.2
183.01198	0.9
183.13817	6.1
193.12292	1.6
195.13803	0.8
199.00639	1.9
211.13335	2.7
213.14842	0.7
221.15492	1.7
229.14432	0.9
240.13512	1.1
247.20752	3.3
273.18677	2.0
281.21289	1.7
291.19684	29.6
292.19913	1.0
309.20734	100.0
310.21088	3.4
341.10855	8.3
341.18256	4.0
341.23477	0.8
341.27078	0.9
342.10739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2486
Annotation	Nostocyclyne A
Peak:m/z	Relative Intensity
57.73139	0.3
59.00974	0.4
59.01243	6.1
60.14252	0.3
61.61900	0.3
65.03812	0.6
67.19032	0.3
71.01241	2.9
79.95567	0.5
84.37071	0.3
89.02296	5.4
93.03314	30.2
94.03620	0.8
95.04874	2.2
101.02298	2.1
103.04828	0.4
104.20194	0.4
110.67854	0.4
113.02293	1.1
119.03362	1.6
119.04890	1.5
121.02818	29.7
121.06194	0.5
132.05647	0.5
135.04375	1.3
143.03313	0.4
145.06448	0.9
161.04453	1.1
175.11142	1.2
177.09099	0.9
179.05597	1.9
179.06931	0.5
183.01102	0.6
184.01472	0.5
185.00613	4.0
186.01399	0.5
191.10745	2.0
199.00671	4.3
313.88416	0.4
323.23834	0.9
339.23163	0.4
341.11066	3.0
341.17596	7.3
341.20282	6.2
341.24817	100.0
342.25168	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	343.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56483	0.3
53.80031	0.3
58.40117	0.3
59.00139	1.2
59.01243	80.5
59.02525	1.3
59.93201	0.3
60.01580	0.4
61.64569	0.3
70.27216	0.5
72.16728	0.3
73.22261	0.3
84.78741	0.3
93.57349	0.4
95.99821	0.4
115.02412	0.4
116.92782	0.4
121.02866	0.8
136.93907	1.1
140.50708	0.3
157.03467	5.3
159.01401	5.4
178.94948	2.5
178.97670	0.6
184.29474	0.4
201.02489	100.0
202.02643	4.7
260.95468	1.0
281.08673	1.7
343.03885	2.5
344.03717	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.4
59.01242	2.1
60.53732	1.2
65.03816	0.4
71.01221	0.9
72.27168	0.5
72.99156	0.6
81.03292	0.7
83.04874	1.1
85.06441	1.0
87.00730	0.9
87.04346	0.3
89.02285	0.5
93.03314	1.2
95.01244	1.2
97.02810	0.4
101.02302	0.6
107.04861	0.4
108.02029	4.9
108.91982	0.4
109.02814	18.4
110.03162	0.4
111.08023	1.3
119.01235	0.5
121.02834	3.7
122.05974	1.1
123.04420	0.6
125.02303	1.8
135.04384	0.4
136.07545	0.6
137.02321	44.0
137.05873	0.8
137.06796	0.5
138.02675	1.1
139.00246	0.8
139.03896	0.7
149.02237	0.6
150.05482	3.3
151.03906	1.8
152.01019	0.5
153.01785	0.4
161.02318	1.3
163.00279	2.1
163.03888	0.7
163.11198	4.4
165.01842	1.6
167.03395	1.0
176.07103	0.6
178.99805	2.2
179.03407	2.1
180.00551	100.0
181.01323	16.0
181.04890	1.0
181.12273	1.6
182.01585	0.6
193.01329	0.8
193.12273	0.6
223.02437	0.8
305.06686	1.7
312.10989	2.9
343.06705	79.8
344.07092	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	343.0824
Annotation	Agestricin B
Peak:m/z	Relative Intensity
55.46039	0.5
58.99942	1.3
59.01242	100.0
59.02386	1.9
60.01595	0.5
61.05441	0.4
64.22392	0.4
65.03834	0.6
69.03316	0.9
72.99194	0.6
73.02816	0.6
93.03324	3.4
105.03328	1.4
107.01302	0.6
108.02029	11.0
109.02823	4.5
109.99979	0.7
117.03326	1.6
119.04901	2.1
119.05659	0.4
121.02824	7.4
123.00753	1.6
123.04376	5.8
125.02292	0.6
129.03339	2.2
130.04132	2.0
132.02074	2.5
133.02829	9.0
136.01550	0.7
139.03851	0.6
143.04968	1.0
146.03613	1.1
147.04402	13.4
149.02348	2.6
149.73041	0.5
150.05519	0.8
151.00208	0.8
151.03905	4.5
152.01036	2.7
155.04930	0.6
159.04456	1.0
160.01527	3.3
161.02357	1.3
163.03932	0.7
165.01865	2.6
165.05472	14.6
166.02611	0.8
167.03419	4.4
167.04907	1.6
169.06541	2.4
171.04388	1.0
171.07779	0.5
172.28052	2.0
175.03928	0.8
177.01860	6.3
179.03427	10.2
180.04121	1.5
180.05711	1.2
181.06487	0.9
182.07249	0.6
183.04466	1.3
185.06052	0.8
191.03485	1.7
195.04439	1.2
195.10196	0.8
195.50404	0.5
196.05281	1.3
197.06009	6.8
197.07680	0.7
199.03951	1.1
199.07600	0.6
201.02414	0.7
208.05391	0.9
209.06088	1.7
211.03958	1.3
212.03130	0.9
212.04884	1.1
213.05516	1.7
214.06287	0.7
215.03487	0.7
215.07185	1.1
215.10791	1.6
217.12357	1.3
223.04070	0.5
224.04778	2.2
225.05528	6.4
226.06367	3.4
229.04948	1.2
229.12285	0.8
233.11778	6.7
237.05624	0.8
240.07832	2.2
241.05061	1.5
241.08714	1.0
242.05901	0.7
243.03050	1.6
243.06624	1.9
247.13422	1.3
253.05101	4.1
254.05829	4.5
255.06650	1.5
256.07458	1.3
257.04697	0.6
257.08102	1.3
258.05389	2.1
269.04843	0.6
269.08194	1.1
270.05432	1.3
271.06131	11.3
272.06851	1.2
273.07672	5.6
281.04593	2.2
283.06180	2.9
283.15518	11.0
284.06909	12.1
285.07666	8.6
286.07867	0.9
287.05478	1.2
298.04849	0.5
299.05634	5.7
300.06427	3.7
312.06409	14.3
313.07175	31.4
314.07617	1.1
328.06009	1.5
335.04007	0.5
343.08243	84.5
343.21158	4.2
344.08603	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	343.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23071	0.6
57.86262	0.8
59.00965	1.0
59.01241	11.7
61.93172	0.7
65.50502	0.8
71.01218	1.5
71.33630	1.4
72.99155	4.1
73.02784	0.8
74.45487	0.8
81.03296	2.6
82.15818	1.2
83.04861	2.9
93.03347	1.4
95.01188	0.8
97.02812	2.8
99.08014	2.9
101.05943	1.6
107.04836	1.6
108.02029	16.2
108.02754	0.9
109.02843	8.1
111.00749	1.4
111.04360	1.9
119.01266	1.0
121.02813	7.7
123.00715	2.4
123.04375	13.6
125.02279	1.9
129.57146	0.9
133.02769	1.5
134.03659	2.0
135.04369	3.3
141.06950	0.9
146.03639	1.2
147.00740	3.2
147.04395	1.8
148.01559	5.9
149.02304	2.9
150.05540	2.1
151.07516	0.9
153.12602	1.0
155.03358	3.5
157.06390	1.1
160.01527	1.7
161.02328	2.3
163.00320	0.9
163.03903	3.0
163.11188	1.1
165.05481	1.0
167.04935	1.3
169.06541	4.7
171.04456	2.8
174.03159	1.3
175.03885	3.6
175.11197	1.6
181.04947	4.4
181.12256	5.1
183.04419	1.3
183.10118	1.8
184.05177	0.9
185.05994	13.2
187.03958	1.3
193.12294	6.8
195.04459	7.5
196.05162	4.4
197.06007	7.8
198.03212	1.9
199.03990	2.2
205.05183	1.1
207.02905	1.3
211.03935	3.1
212.04797	6.8
213.05522	36.5
214.05850	1.3
219.02942	11.9
222.64268	0.8
223.03972	7.0
224.02707	1.2
224.04758	14.9
225.05513	3.4
226.02629	1.3
227.03476	1.4
227.07034	1.6
229.04996	1.8
231.05090	1.6
239.03502	4.2
239.07175	2.1
240.04266	8.9
241.05037	100.0
242.02342	1.1
242.05421	4.9
243.03058	1.8
251.03441	1.9
253.05148	1.5
255.03110	1.5
255.06532	3.8
256.07413	26.8
257.04535	2.3
259.06116	3.0
266.05942	1.3
267.03015	3.9
267.06696	1.0
268.03732	4.2
269.04568	13.2
270.05087	1.7
271.02527	1.8
271.06290	1.3
271.09821	5.9
273.04089	1.4
282.05417	1.1
283.06161	8.0
284.06897	4.8
285.04086	11.3
299.02148	1.6
299.05594	10.8
299.09018	2.0
300.06390	31.9
301.06927	1.9
310.04810	1.0
313.03589	2.2
315.08762	80.5
316.09000	3.5
328.05856	2.4
339.22086	1.0
343.04672	4.6
343.08212	91.0
343.14523	5.5
344.08490	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	343.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01229	0.9
56.95689	1.1
58.74110	0.9
59.01233	5.1
60.24361	0.8
66.49763	0.9
67.01723	1.3
69.03296	2.2
71.01230	4.3
72.99164	8.1
81.03310	5.4
83.04881	100.0
83.06990	1.4
84.05212	2.1
89.02310	1.2
93.03305	1.8
97.02809	26.2
99.04400	1.5
99.08017	36.1
101.05942	6.2
107.04894	8.4
108.02017	1.3
109.02789	4.1
109.06461	10.7
110.03615	2.3
111.04397	2.5
121.02827	2.7
122.03620	2.4
122.05945	1.3
125.02309	13.2
127.03880	26.0
127.07536	19.8
134.03577	2.2
135.04413	6.2
136.05153	4.9
137.02319	4.5
139.03879	2.8
147.11696	13.0
150.05516	3.2
153.01843	2.6
153.09126	4.7
153.14600	1.2
162.03154	2.2
163.03920	4.9
163.11197	10.0
165.01904	1.3
165.12755	69.1
166.13094	2.6
171.02896	4.3
175.11189	8.0
177.09132	1.7
178.09915	1.2
179.03452	1.6
179.10689	3.3
179.93715	2.7
181.12248	2.8
191.10706	50.4
192.11067	1.9
193.12279	36.8
207.10220	1.3
209.11784	69.6
210.12114	2.5
215.01982	1.5
219.06694	1.7
219.10196	11.3
231.40126	1.1
235.46127	1.2
237.11316	4.5
253.10809	21.9
254.11176	1.5
261.16214	1.1
262.13168	1.2
263.09183	2.3
267.79340	1.1
281.10394	11.0
305.06683	12.1
307.08212	12.5
312.10901	2.8
315.10886	2.6
325.09323	13.0
343.10489	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	343.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.8
57.33241	0.4
59.01234	1.9
62.53381	0.4
67.01745	0.9
68.86221	0.4
69.03306	0.5
71.01249	2.8
72.99157	4.2
81.03308	1.1
83.02769	0.8
83.04879	100.0
83.06761	1.3
84.05218	1.1
86.68110	0.5
97.02808	2.4
99.00745	0.6
99.04367	2.5
99.08013	7.7
101.02286	1.0
101.05935	5.3
107.04887	3.2
109.02800	1.4
109.06440	2.8
111.04375	16.2
119.04880	0.6
127.03882	36.4
127.07531	0.9
128.75371	0.4
130.33005	0.4
135.04413	3.8
136.05196	2.2
141.01767	0.6
153.01799	0.6
153.09102	0.8
163.11176	1.7
165.12781	1.2
170.99097	0.5
171.02902	6.0
173.04514	1.3
175.11171	3.7
177.09023	0.9
181.12300	0.5
193.12271	26.2
197.00835	0.7
209.11703	0.6
215.01945	0.8
219.10292	0.8
237.11241	2.2
255.12390	2.3
269.10349	0.6
299.11404	1.8
307.08145	0.9
343.10358	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	343.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22820	0.3
54.25826	0.2
58.88722	0.3
59.01241	9.0
64.15598	0.3
65.49260	0.3
71.01246	0.3
72.99156	0.9
73.64277	0.3
81.03324	1.5
83.04890	0.9
94.66134	0.3
99.00773	0.4
99.05143	1.0
99.08011	100.0
99.10548	1.5
100.08352	2.3
101.05930	0.5
107.04824	0.4
109.06447	0.4
111.00756	0.4
111.04406	0.3
118.43448	0.3
120.99509	0.7
125.02315	5.2
127.03876	0.7
135.04364	0.4
136.05153	0.9
139.11140	1.7
151.48093	0.3
167.14316	10.5
168.14752	0.4
175.11192	0.9
181.12305	0.7
193.12299	5.9
211.13341	19.5
212.13725	0.8
215.01894	0.6
237.11295	4.4
243.44695	0.3
255.12447	2.3
281.10345	0.4
299.11365	14.7
300.11743	1.0
343.10336	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	343.1034
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
56.57745	0.8
60.53196	0.7
72.97565	1.7
72.99166	100.0
73.00943	1.2
73.99497	1.0
81.03297	1.6
83.04877	5.1
83.50780	0.6
95.04903	1.2
99.08021	11.1
101.05943	20.4
106.04104	1.2
107.04889	13.2
109.02777	1.6
109.06443	1.1
111.04400	1.0
117.50116	0.7
119.04885	1.3
124.05169	15.5
135.04395	17.9
135.11694	1.8
136.05193	9.6
137.01286	0.7
137.02332	0.9
137.09572	1.0
137.38774	0.7
139.11174	1.1
153.12733	8.4
163.11185	6.9
165.12767	1.9
166.09889	6.5
173.09619	1.4
175.11198	15.4
181.12263	81.1
182.12596	4.2
191.10703	0.8
193.05293	1.3
193.12267	94.9
194.12634	5.1
197.00850	1.0
209.11731	1.3
225.11314	1.9
237.11351	7.9
238.11807	1.2
259.04611	0.9
271.51114	1.0
281.10391	1.0
299.11163	1.1
343.10339	16.3
344.10547	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35155	0.5
50.39939	0.4
51.05272	0.4
56.00422	0.5
57.03304	0.5
57.26571	0.5
58.46859	0.5
59.01231	1.0
66.09356	0.5
67.01740	0.9
71.01241	1.9
72.99164	3.5
73.21909	0.5
81.03308	1.6
82.46455	0.5
83.02820	1.9
83.04876	100.0
84.05209	1.4
97.02832	0.6
99.00690	0.7
99.04371	1.3
99.08014	17.0
101.02316	3.2
101.05937	22.4
107.04882	12.6
109.02801	2.9
109.06441	8.4
111.04375	53.1
112.04684	1.4
115.79816	0.6
119.04881	2.0
121.02813	1.0
127.00202	0.8
127.03874	26.7
128.04210	0.7
135.04390	20.1
136.05191	6.1
153.09073	2.2
160.08807	0.7
161.24115	0.5
163.09941	0.8
163.11182	5.6
165.12709	1.4
171.02907	7.7
171.22169	0.6
175.11188	15.8
176.11537	1.3
179.10611	0.8
180.07755	1.0
181.12289	3.1
193.12262	92.1
194.12636	3.2
219.10173	1.0
236.99478	0.6
237.11281	1.8
255.12376	2.2
263.09216	0.9
269.10294	2.3
299.11566	1.5
321.78986	0.6
343.10321	11.3
343.14023	1.1
344.10657	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85345	0.6
58.59768	0.4
59.01233	2.3
60.75791	0.5
63.04168	0.5
63.90715	0.5
69.03306	1.2
70.15157	0.4
71.01221	0.5
72.97319	1.2
72.99164	100.0
73.00798	1.7
73.99511	0.7
78.19510	0.5
81.03316	1.9
83.04887	0.9
91.73350	0.6
93.03314	1.3
95.04876	1.6
99.08015	7.9
101.05943	16.3
106.04116	1.3
107.04886	10.7
115.00214	0.6
119.04914	1.5
121.02816	0.8
124.05164	12.7
125.02304	1.5
125.09591	0.7
135.04388	16.3
135.11656	1.6
136.05185	7.9
139.11174	4.1
153.01828	2.5
153.12740	8.1
155.36488	0.5
160.08788	0.7
163.11194	5.3
166.09860	5.5
173.09666	1.0
175.11174	14.5
176.11598	0.7
177.09062	0.7
178.09903	0.7
181.12253	71.0
182.12573	4.2
189.48593	0.6
193.12259	75.6
194.12646	4.8
194.39128	0.5
209.11847	0.8
219.10248	1.5
225.11302	1.2
237.11293	9.0
238.11768	0.8
251.46149	1.0
281.10367	1.6
299.11334	0.7
310.00467	0.6
326.76190	0.7
343.10358	62.7
344.10666	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	343.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13712	0.5
57.03326	1.0
59.28241	0.5
64.82827	0.6
66.04285	0.5
66.84858	0.6
71.01243	1.6
72.99170	1.3
78.56353	0.4
81.03305	1.0
83.02805	1.4
83.04877	100.0
83.06720	1.1
84.05212	1.3
99.04362	2.0
99.08016	17.2
101.01713	0.6
101.02281	2.9
101.05941	17.4
101.95471	0.5
107.04887	10.1
109.06450	5.4
111.04376	46.6
112.04747	0.8
112.15563	0.7
119.04904	1.3
127.03876	34.4
127.07480	1.1
128.04240	0.7
129.26569	0.6
135.04387	12.8
136.05194	6.2
153.09116	3.2
160.20103	0.7
163.11131	0.6
165.12735	1.4
171.02885	6.7
173.09671	0.9
175.11194	12.0
181.12210	0.6
193.12260	63.2
194.12631	2.6
237.11409	0.7
255.12343	2.0
299.11478	1.9
343.10364	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	343.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58893	0.3
57.86937	0.3
59.01242	4.8
71.01263	0.5
72.99164	10.1
81.03330	0.9
83.04904	0.4
86.85876	0.3
90.26163	0.3
91.72785	0.5
93.03329	1.4
95.01254	0.4
95.04917	1.1
96.95876	0.3
99.08010	8.7
101.05937	16.5
106.04116	1.0
107.04883	11.1
107.05560	0.6
109.02819	0.5
109.06447	0.6
118.41499	0.3
119.04897	1.4
120.05692	0.4
121.02836	1.0
123.04366	0.6
124.01555	0.4
124.05166	17.0
133.06496	0.5
135.04391	19.5
135.11679	2.5
136.05183	12.6
137.09593	0.6
147.04413	0.6
147.11601	0.5
150.05536	0.4
153.12737	8.8
159.09369	0.3
160.08772	0.3
162.03140	0.4
163.03903	0.5
163.11197	5.1
165.12766	1.4
166.09901	7.1
167.10406	0.4
169.81950	0.3
173.09605	1.0
175.11195	15.8
176.11511	0.6
181.12253	73.1
182.12570	2.3
191.10724	0.4
193.05304	1.0
193.12263	100.0
194.12596	4.0
206.35030	0.5
219.10201	0.5
225.11285	0.5
237.11240	2.7
255.06577	0.7
269.10327	4.7
281.10382	1.8
325.09283	2.9
343.04297	0.5
343.10370	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12104	0.7
63.78962	0.7
71.01242	1.1
71.42022	0.8
72.99165	44.2
78.28736	0.9
81.03342	0.9
83.04879	4.2
89.02301	1.0
93.03320	1.3
95.04868	1.0
96.17168	1.0
99.08008	10.6
101.05944	13.5
106.04109	3.0
107.04877	10.7
111.70513	0.9
112.69005	0.8
119.04941	1.0
121.02824	5.0
124.05174	10.5
127.03896	1.2
135.04411	17.7
135.11702	3.2
136.05194	11.9
139.97330	1.0
153.12746	5.3
162.09470	0.9
163.11188	80.3
163.16774	1.0
164.11497	1.5
165.12770	0.9
166.09872	4.3
173.09485	0.9
175.11203	17.5
177.09132	2.0
179.10699	1.8
181.12259	41.1
182.12589	0.9
191.10620	4.4
193.12271	100.0
194.12640	5.2
195.54626	1.0
207.10213	3.2
219.10205	10.2
223.09740	1.0
225.11148	1.1
237.11290	7.2
255.12340	1.6
263.09164	1.3
269.10327	31.3
270.10696	2.3
281.10403	4.5
299.11353	24.3
300.11725	1.5
325.09329	8.6
343.10355	42.0
344.10815	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1399
Annotation	sibiskoside
Peak:m/z	Relative Intensity
54.35531	0.4
57.03306	1.0
58.00458	1.9
59.00098	1.9
59.01242	100.0
59.02546	1.2
60.01585	1.1
70.99718	1.2
71.01239	56.9
71.02953	0.8
72.01624	0.5
72.99163	9.2
73.02805	4.0
81.03316	1.1
83.01248	3.3
83.04882	16.2
85.02807	11.2
87.00732	4.3
89.00176	1.1
89.02298	81.8
89.04699	1.2
90.02636	0.6
93.03328	0.8
95.01257	3.9
95.04863	0.6
95.35178	0.6
97.02799	0.6
99.00744	1.8
99.08018	9.4
101.02303	32.7
101.05947	3.0
102.02667	0.7
103.89465	0.5
107.04882	2.0
109.02837	1.3
109.06459	0.8
110.96723	0.6
111.04377	4.5
113.02307	28.3
119.03368	34.3
121.02869	3.2
125.02309	3.9
127.00249	1.0
127.03873	4.4
131.03392	2.9
134.44919	0.7
135.04401	2.6
135.08078	0.8
136.05180	2.4
137.02342	0.7
137.09608	0.7
141.01933	0.6
143.03365	5.9
145.43140	0.6
149.04462	3.0
150.05521	0.7
151.11217	0.7
153.01822	0.6
161.04443	9.2
163.03903	0.7
163.11185	34.3
164.11525	1.6
165.09109	8.1
172.26120	1.0
173.09576	0.7
175.11211	2.0
179.05534	19.9
179.06952	1.3
179.10698	1.4
180.06006	0.9
181.08597	4.4
181.12350	1.6
182.68324	0.6
183.10220	0.7
193.12277	13.3
194.12646	0.9
202.62889	0.6
207.06656	1.1
207.10249	1.2
223.09708	5.2
225.11316	0.9
237.11357	2.8
253.10893	0.8
253.35526	0.6
269.10327	13.1
270.10779	0.7
283.11917	1.8
299.01068	1.7
299.11414	1.3
299.14807	0.7
312.10999	0.7
343.10449	4.0
343.14008	60.0
344.14352	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	343.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69562	0.1
57.03315	1.4
58.99931	0.2
59.01243	12.7
59.02391	0.3
63.17207	0.2
68.99674	0.2
71.00883	0.2
71.01242	2.9
72.99168	7.5
73.00706	0.2
73.02808	2.3
75.00727	0.8
76.87983	0.2
81.03305	0.3
83.01237	0.5
83.04884	2.3
84.78979	0.2
85.02811	0.3
85.99949	0.2
87.00727	2.2
89.02273	0.2
93.03316	0.3
99.00732	1.1
99.04372	1.6
99.08015	2.3
101.02309	2.4
101.05946	4.0
105.06955	0.2
106.04108	0.2
107.04894	1.7
108.02032	0.2
109.02854	0.3
111.00732	1.3
111.04385	1.3
113.02305	0.8
113.71046	0.2
115.00244	0.9
119.04879	0.4
121.02788	0.5
121.10072	0.8
123.04357	0.2
123.08030	2.0
124.05173	1.4
125.05958	11.3
125.09499	0.3
126.06259	0.2
127.03886	0.6
129.01816	2.1
135.04416	2.5
136.05206	1.8
138.03096	1.5
139.11171	7.7
140.11554	0.3
141.01801	0.2
143.04823	0.4
147.04417	0.2
150.05562	0.2
151.07474	0.3
153.12764	0.9
159.02885	6.0
161.04445	0.5
163.00284	0.2
163.11183	2.4
165.12738	0.2
166.06239	0.4
166.09850	0.5
167.10605	0.2
171.04449	0.5
175.11185	2.8
178.99817	0.5
181.08626	7.2
181.12253	5.0
182.09042	0.3
183.10187	100.0
183.16582	1.1
184.10529	3.3
191.10735	0.7
193.12274	14.4
194.12590	0.7
195.10199	0.2
199.03928	0.6
206.63657	0.2
209.11874	0.2
211.13396	0.3
219.10271	1.2
227.03461	1.9
237.11298	2.1
242.02130	0.3
243.02968	0.3
245.76581	0.2
251.03419	0.2
255.03014	1.2
255.12367	1.1
269.10416	0.2
271.02478	0.6
275.93982	0.2
281.10275	0.6
283.12149	0.4
299.02045	1.5
299.05362	0.3
299.11404	3.3
300.11871	0.2
309.09476	0.3
313.35889	0.2
325.03531	0.4
325.09308	0.8
335.68823	0.2
343.01166	1.5
343.10364	8.0
343.14050	0.8
343.17389	0.3
344.10522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69562	0.1
57.03315	1.4
58.99931	0.2
59.01243	12.7
59.02391	0.3
63.17207	0.2
68.99674	0.2
71.00883	0.2
71.01242	2.9
72.99168	7.5
73.00706	0.2
73.02808	2.3
75.00727	0.8
76.87983	0.2
81.03305	0.3
83.01237	0.5
83.04884	2.3
84.78979	0.2
85.02811	0.3
85.99949	0.2
87.00727	2.2
89.02273	0.2
93.03316	0.3
99.00732	1.1
99.04372	1.6
99.08015	2.3
101.02309	2.4
101.05946	4.0
105.06955	0.2
106.04108	0.2
107.04894	1.7
108.02032	0.2
109.02854	0.3
111.00732	1.3
111.04385	1.3
113.02305	0.8
113.71046	0.2
115.00244	0.9
119.04879	0.4
121.02788	0.5
121.10072	0.8
123.04357	0.2
123.08030	2.0
124.05173	1.4
125.05958	11.3
125.09499	0.3
126.06259	0.2
127.03886	0.6
129.01816	2.1
135.04416	2.5
136.05206	1.8
138.03096	1.5
139.11171	7.7
140.11554	0.3
141.01801	0.2
143.04823	0.4
147.04417	0.2
150.05562	0.2
151.07474	0.3
153.12764	0.9
159.02885	6.0
161.04445	0.5
163.00284	0.2
163.11183	2.4
165.12738	0.2
166.06239	0.4
166.09850	0.5
167.10605	0.2
171.04449	0.5
175.11185	2.8
178.99817	0.5
181.08626	7.2
181.12253	5.0
182.09042	0.3
183.10187	100.0
183.16582	1.1
184.10529	3.3
191.10735	0.7
193.12274	14.4
194.12590	0.7
195.10199	0.2
199.03928	0.6
206.63657	0.2
209.11874	0.2
211.13396	0.3
219.10271	1.2
227.03461	1.9
237.11298	2.1
242.02130	0.3
243.02968	0.3
245.76581	0.2
251.03419	0.2
255.03014	1.2
255.12367	1.1
269.10416	0.2
271.02478	0.6
275.93982	0.2
281.10275	0.6
283.12149	0.4
299.02045	1.5
299.05362	0.3
299.11404	3.3
300.11871	0.2
309.09476	0.3
313.35889	0.2
325.03531	0.4
325.09308	0.8
335.68823	0.2
343.01166	1.5
343.10364	8.0
343.14050	0.8
343.17389	0.3
344.10522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00069	2.0
59.01241	100.0
59.02580	1.0
59.39416	0.1
60.01578	0.7
69.03313	0.6
69.03635	0.1
71.01249	0.2
73.02805	0.4
81.03326	0.1
85.02818	0.5
91.05384	0.2
93.03326	0.6
95.04897	0.1
101.03818	0.3
103.05386	0.1
105.03320	0.4
107.04945	0.1
108.02029	1.8
109.02827	1.1
117.03327	0.4
118.76616	0.1
119.04893	2.2
121.02821	1.3
123.00758	0.2
123.04386	1.6
123.08044	0.5
129.03329	2.4
130.04129	0.7
132.02068	0.5
133.02829	2.0
133.06424	0.1
135.04352	0.1
137.02258	0.1
139.07513	0.1
143.04965	0.1
145.02815	0.2
145.06456	0.2
146.03600	0.7
147.04402	11.9
148.04753	0.3
149.02324	0.7
149.06009	0.1
151.03877	0.6
152.01074	0.5
155.04904	0.1
160.01567	0.7
161.02367	0.3
163.04036	0.1
164.04662	0.2
165.05469	14.7
166.02551	0.1
166.05830	0.4
167.03403	0.7
167.04837	0.2
169.06503	0.3
171.04446	0.4
172.05211	0.4
175.03947	0.1
175.11221	0.1
177.01849	1.5
179.03397	1.3
180.04208	0.2
180.05740	0.1
181.06435	0.1
183.04420	0.3
191.03424	0.3
191.10657	0.1
195.04346	0.2
195.10210	0.2
196.05170	0.2
197.05923	0.6
199.03906	0.2
199.11182	0.2
205.08755	0.1
205.12296	0.4
209.05954	0.1
211.03949	0.2
212.04758	0.2
213.05486	0.2
214.06372	0.1
215.03673	0.1
215.10707	1.0
217.12286	1.6
221.11732	0.2
224.04741	0.4
225.05542	0.9
226.06253	0.3
227.10493	0.1
229.12292	1.1
233.11800	6.7
234.12152	0.2
235.13466	0.1
240.07892	0.2
241.05081	0.2
241.08711	0.1
242.05977	0.2
243.02979	0.3
243.06624	0.3
245.11798	0.2
247.13341	1.0
251.12810	0.3
253.05103	0.7
254.05792	0.6
255.06581	0.2
256.07425	0.4
257.00974	0.2
257.08359	0.1
258.05368	0.4
263.12906	0.4
265.14536	0.5
269.04449	0.1
269.08081	0.2
270.05319	0.1
271.06119	1.5
272.06830	0.3
273.07648	1.4
281.04480	0.2
281.13959	0.2
283.06140	0.3
283.15518	11.7
284.06885	1.9
284.15768	0.6
285.07681	1.1
287.05637	0.2
298.04938	0.2
299.05591	0.8
299.09003	0.2
300.06354	0.3
310.16730	0.1
312.06390	1.7
313.07187	3.1
314.07306	0.2
327.14520	0.3
328.05942	0.3
343.08237	10.6
343.17316	0.4
344.08545	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18651	0.5
59.00101	1.7
59.01242	100.0
59.02533	1.4
60.01582	1.4
69.03323	1.9
71.01255	1.3
74.22204	0.6
83.04881	1.2
93.03332	0.8
99.08035	0.7
109.06499	0.7
121.02820	1.6
123.08052	1.2
136.07552	0.7
141.09152	0.7
150.05563	1.5
164.86659	0.6
165.05496	0.6
172.05144	0.8
172.23366	1.8
180.80644	0.6
181.12167	0.7
199.11125	0.9
199.78954	1.0
201.12874	0.6
205.12245	0.7
207.02861	1.1
215.10674	1.2
217.12306	5.4
221.11783	0.9
229.12276	3.4
233.11813	9.0
234.12033	1.1
245.19099	1.1
247.13422	2.9
251.12798	0.8
263.20200	4.3
265.14551	2.7
281.21289	2.5
283.15515	30.9
284.15765	1.5
289.17987	0.8
299.22119	0.7
307.19077	4.5
312.10831	2.1
325.20193	11.9
343.08218	1.0
343.12219	1.2
343.21246	48.4
344.21689	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	343.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	1.1
59.01241	4.9
69.03326	0.4
71.01245	0.4
71.04887	0.7
77.16650	0.3
78.95773	0.5
83.04886	1.9
83.05291	0.4
86.33766	0.3
91.60809	0.4
95.04848	0.5
96.96810	0.6
97.06460	1.7
102.21475	0.4
102.75019	0.3
107.04901	0.5
108.20791	0.4
109.06436	0.6
111.08013	4.6
113.09587	1.2
116.87194	0.3
119.04874	0.7
125.09554	0.6
135.07994	0.4
137.09618	0.9
149.09631	1.3
151.11160	4.0
157.08592	6.1
163.03934	3.5
167.10710	2.2
169.12309	0.5
171.10199	1.1
185.11729	1.2
195.10149	0.7
207.02852	0.6
213.11317	0.8
234.90109	0.4
245.19118	3.2
263.20178	5.7
264.20602	0.5
271.17130	2.6
281.21155	1.1
289.18106	4.1
299.12808	0.8
299.22357	0.7
306.83585	0.4
307.19168	7.6
308.19485	0.4
312.10895	0.5
325.20230	9.4
326.20648	0.6
328.09518	1.1
343.12677	2.2
343.21255	100.0
344.21597	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	343.2127
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
56.66693	0.1
57.03320	0.8
57.27032	0.1
59.00974	0.2
59.01244	2.4
67.05379	0.2
69.03315	0.3
70.82219	0.1
71.01231	0.3
71.04879	0.3
73.02808	0.3
82.79587	0.1
83.04865	0.5
88.19791	0.1
95.04862	0.2
97.06447	1.5
111.08012	0.6
118.60603	0.1
118.95541	0.2
121.02763	0.2
123.07126	0.3
123.08029	6.1
124.08404	0.2
125.05983	0.2
125.09595	9.4
126.09901	0.2
127.11149	1.0
135.08081	0.2
137.09602	7.8
138.09929	0.2
139.07509	0.4
139.11177	4.8
141.09079	0.2
141.12737	0.2
143.10669	0.4
153.09111	0.4
155.10661	0.7
163.03954	0.2
164.04288	0.2
165.04391	0.2
171.10179	7.5
172.10478	0.2
181.08624	0.4
183.10173	1.4
183.13820	0.3
185.11780	0.5
187.09641	1.1
190.11305	0.2
195.10201	0.3
199.09729	2.9
199.13342	0.7
200.10335	0.3
201.02487	0.2
201.11223	0.6
209.15414	0.3
211.13383	0.2
211.65155	0.1
217.30945	0.2
235.20644	2.7
245.19070	0.8
251.16563	0.4
253.21674	0.8
261.18637	0.2
263.20175	6.6
264.20520	0.3
271.17105	1.0
279.19644	2.2
281.21310	1.5
283.15475	0.7
284.05951	0.3
287.16479	0.2
289.18130	4.1
290.18484	0.3
297.20749	3.6
299.22089	0.8
305.17703	0.5
307.19165	15.0
308.19479	1.0
325.20230	7.2
326.20575	0.5
328.08893	0.2
341.19724	0.3
343.21277	100.0
344.21622	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	343.2127
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
54.57525	0.3
57.03318	2.7
59.00025	1.0
59.01243	58.9
59.02322	0.9
64.27782	0.4
66.27676	0.4
68.05675	0.5
70.57423	0.3
77.75957	0.6
77.76316	0.4
79.94343	0.4
83.04912	0.4
113.09586	1.4
122.34779	0.4
127.11151	0.9
144.81662	0.4
146.54111	0.4
153.12712	0.6
167.06935	0.4
172.23466	0.9
201.02478	0.6
221.19066	46.0
222.19414	2.6
239.20192	2.6
265.18103	27.5
266.18411	1.1
283.19162	52.5
284.19400	3.4
299.23801	0.9
301.20193	6.1
312.21350	0.4
325.20242	4.1
343.21265	100.0
344.21625	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	343.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54798	0.2
57.03309	0.7
57.72947	0.3
58.00453	0.8
59.01239	4.7
64.52139	0.3
71.01233	0.4
73.18568	0.3
83.04883	1.0
93.03360	0.5
97.06441	0.5
105.95913	0.3
111.07992	0.5
120.07975	0.3
121.02808	0.8
123.04384	0.3
123.08042	1.9
125.09585	3.9
127.11168	3.5
135.04388	0.4
135.08025	1.0
137.09583	1.6
139.11147	0.8
141.09096	12.3
150.05499	1.2
151.03789	0.3
153.09125	1.7
155.10655	1.6
157.12254	0.5
158.94545	0.3
163.03932	0.4
165.09129	0.7
169.12183	0.3
171.10172	4.7
179.03348	0.6
183.10162	1.0
183.13676	0.3
193.12318	0.4
193.57619	0.3
199.09761	1.3
201.11255	17.8
202.11560	0.5
209.15337	0.4
245.19101	1.6
254.05994	0.4
261.18607	0.4
263.20160	5.9
264.20572	0.4
266.42261	0.3
271.17078	0.6
281.21237	1.6
283.19199	1.4
287.16653	0.4
289.18118	2.9
299.12625	0.4
307.19156	4.3
307.74161	0.3
308.19495	0.4
312.11093	0.6
313.07193	0.6
325.07339	0.6
325.20230	10.6
326.20602	0.7
343.12692	2.1
343.21265	100.0
344.21619	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	343.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.1
59.01244	7.9
71.01259	1.3
72.99162	1.0
83.04890	1.5
87.00754	0.9
93.03335	0.7
95.04910	0.7
97.06456	3.1
99.08031	0.9
102.76028	0.5
105.01796	0.5
109.02816	0.8
111.08017	2.5
119.04887	1.1
121.02826	1.8
122.06033	0.8
125.09605	1.2
135.04388	0.6
135.08069	0.7
136.07553	0.8
137.09592	1.1
142.30785	0.5
143.07021	0.6
149.09587	0.9
150.05525	2.8
151.11159	3.1
153.09128	1.4
157.08617	4.3
163.03920	2.2
167.10704	1.2
171.10201	3.2
181.12271	1.1
183.54657	0.6
185.11732	0.8
193.12190	1.0
207.02931	0.7
207.06488	0.7
209.11591	0.6
240.04309	0.8
245.19061	2.3
253.08681	0.8
259.63538	0.6
263.20145	6.6
264.20319	0.6
269.08359	0.6
271.17038	2.0
279.05850	0.7
281.21390	1.5
284.10580	2.3
285.07706	1.4
289.18015	4.3
299.12988	2.9
307.19208	5.8
312.10855	2.1
313.07153	2.6
313.10446	0.7
315.12540	0.8
325.20187	8.8
326.20554	0.7
328.09521	3.9
343.12341	5.8
343.21262	100.0
344.12152	0.7
344.21506	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	343.2279
Annotation	11-HDOHE
Peak:m/z	Relative Intensity
50.74376	0.3
54.98946	0.3
56.01103	0.3
61.53426	0.3
76.63076	0.3
80.02386	1.3
80.02895	0.6
92.02522	2.0
106.03398	0.6
106.04099	10.0
107.04896	3.7
108.01994	0.4
119.04893	24.6
119.08268	0.4
120.05204	0.9
121.02822	7.2
133.06467	8.3
137.02327	0.4
147.07997	0.5
161.09648	1.5
175.11186	1.9
189.12793	0.8
263.18500	0.5
299.23816	100.0
299.37253	0.9
300.24164	8.6
343.22803	81.0
344.19281	0.6
344.23108	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	343.249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15760	1.1
51.24092	1.3
52.43504	1.1
59.01244	13.1
83.04874	1.5
84.90224	1.3
97.06477	1.3
99.07994	5.1
109.06390	1.4
118.30853	1.5
121.02798	2.4
121.10090	2.6
121.42633	1.6
121.83955	1.3
125.09568	2.1
127.11205	2.0
132.52353	1.4
137.09592	2.2
149.59450	1.4
171.10181	28.3
182.48343	1.6
193.12213	10.4
200.33446	1.6
201.02399	2.4
225.14969	12.8
243.15961	3.7
289.18079	21.0
293.21399	1.9
307.19312	2.4
343.11810	2.0
343.24893	100.0
344.25214	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	343.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	17.7
69.03278	1.6
89.02282	2.3
99.08018	8.8
119.04920	1.6
121.02870	2.9
126.76814	1.6
163.08826	1.6
171.10197	7.3
172.89616	1.5
173.82089	1.6
179.77556	1.6
193.12251	15.5
201.02528	5.6
211.13458	3.2
225.14944	20.2
232.23421	1.7
243.16019	6.0
299.20221	4.7
299.23560	2.1
343.11700	3.3
343.15710	3.4
343.24973	100.0
344.25253	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	343.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	3.1
63.33121	0.7
72.05709	1.9
72.06113	1.1
92.02530	1.9
106.04090	5.4
107.04895	5.6
119.04897	21.7
121.02821	8.1
133.06471	5.0
203.14375	2.0
220.05418	1.0
231.17606	2.7
243.17474	1.1
257.19116	100.0
258.19489	3.7
263.98300	1.0
280.27094	1.0
299.23920	2.6
323.23816	2.3
325.25381	85.9
326.25705	4.8
343.22580	1.6
343.26422	20.3
344.27066	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2644
Annotation	5-(8Z,11Z-Heptadecadienyl)-1,3-benzenediol
Peak:m/z	Relative Intensity
59.01232	3.1
63.33121	0.7
72.05709	1.9
72.06113	1.1
92.02530	1.9
106.04090	5.4
107.04895	5.6
119.04897	21.7
121.02821	8.1
133.06471	5.0
203.14375	2.0
220.05418	1.0
231.17606	2.7
243.17474	1.1
257.19116	100.0
258.19489	3.7
263.98300	1.0
280.27094	1.0
299.23920	2.6
323.23816	2.3
325.25381	85.9
326.25705	4.8
343.22580	1.6
343.26422	20.3
344.27066	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2854
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
58.00461	0.5
59.01239	0.9
62.29670	0.2
82.32484	0.1
91.72708	0.2
96.05037	0.2
118.32414	0.2
121.02844	0.2
133.29753	0.2
138.68927	0.2
139.11182	0.4
141.12740	3.9
153.12746	0.5
155.14325	2.1
169.12225	0.2
171.13821	1.8
173.80948	0.2
183.13852	0.9
185.15440	0.3
199.13353	2.4
201.02367	0.2
229.14424	1.2
248.52966	0.2
267.27005	0.3
297.28000	0.3
299.23831	0.3
307.26477	1.9
312.10880	0.2
323.25928	1.0
325.27493	10.4
326.27899	0.7
327.51016	0.2
339.25458	0.5
341.27008	4.6
343.12253	1.0
343.28555	100.0
344.24844	0.3
344.28925	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	344.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32833	1.2
54.48985	0.9
59.01242	33.7
59.02390	0.6
60.43137	0.6
65.57968	0.5
68.12999	0.6
68.99696	0.6
71.01233	7.9
72.99160	2.3
72.99550	0.6
73.02814	1.0
75.00698	0.6
83.01247	0.7
83.64568	0.6
83.82853	0.5
85.02818	3.9
85.99957	5.7
87.00731	20.8
89.02296	7.3
93.03325	0.7
94.06475	0.9
94.07269	0.5
95.01230	1.1
95.04855	0.9
96.95248	1.3
96.95869	26.7
97.02790	0.9
99.00740	1.4
99.67313	0.6
101.02307	5.5
103.00216	1.6
103.96441	0.6
107.03630	2.2
108.04409	1.2
108.74413	0.6
111.00732	1.7
113.02284	5.8
117.01837	1.1
118.06525	0.7
119.03373	2.9
121.02821	0.8
121.05199	6.4
122.05981	34.6
123.04382	22.4
124.03912	0.6
129.01776	1.2
134.05992	4.8
135.03142	1.6
136.03954	1.1
136.07561	23.0
137.07869	0.8
139.03900	6.9
141.01894	0.7
146.05977	2.3
148.07587	1.9
149.04660	2.0
150.05492	100.0
151.05870	3.1
152.07051	9.4
158.06024	1.2
159.02930	0.8
161.04561	2.8
162.05508	3.7
164.07104	4.0
165.01804	0.9
174.05545	2.1
175.06277	5.3
176.07083	9.5
179.05438	1.0
183.02948	0.7
191.89116	0.7
192.06616	1.3
194.08156	4.5
204.06633	3.6
222.07663	3.1
241.00276	4.6
244.72772	0.7
248.29091	0.7
248.36565	0.6
252.08727	1.8
265.09241	0.9
312.10901	72.1
313.11218	4.7
344.06281	1.2
344.13541	1.6
345.04959	45.6
345.08224	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	344.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.4
56.72590	0.3
56.87075	0.4
59.01242	16.6
71.01236	14.3
72.00765	10.5
72.99157	0.9
73.02795	0.9
74.02324	0.4
74.77184	0.4
78.95750	1.3
81.99192	0.5
82.67104	0.4
83.01249	1.0
85.02805	1.6
86.80895	0.4
87.00741	0.6
88.03893	1.4
89.02293	21.6
91.05395	0.9
93.03288	0.9
95.01218	1.1
96.95880	2.5
97.02814	0.5
98.48988	0.4
99.00746	0.7
101.02308	5.2
105.46029	0.4
108.02029	0.5
109.02798	1.2
111.00709	0.5
111.01849	0.6
111.04379	1.0
112.43526	0.5
113.02309	4.8
113.03060	0.5
113.03438	0.7
114.05489	2.1
115.00216	1.1
115.08627	0.4
119.03354	3.3
119.04863	0.5
121.02790	0.5
122.02351	1.5
122.05949	0.4
123.00726	0.6
123.04375	1.8
124.01540	1.2
125.02279	0.9
125.05923	0.5
126.01814	1.2
128.03397	1.5
131.03423	0.7
132.12779	0.4
135.02876	0.8
137.02318	3.8
138.02896	0.7
139.03859	3.2
143.03381	1.6
143.79073	0.4
146.99663	0.5
147.04402	37.6
148.04750	1.2
149.04391	0.6
150.05409	0.8
151.03735	0.5
154.99751	0.8
156.06688	0.5
161.04468	1.5
164.07066	100.0
165.01828	1.6
165.07437	3.1
166.99756	1.3
170.04466	0.7
171.02945	0.5
173.04489	1.1
175.02417	1.0
178.99707	0.6
179.05518	4.5
181.01347	2.0
183.02898	2.6
184.10811	1.3
187.05981	0.7
191.05595	0.8
213.05191	0.7
228.17154	1.8
248.19099	0.5
252.50615	0.5
268.77789	0.5
300.11948	1.8
301.25311	3.5
311.63940	0.5
312.11087	0.6
344.07166	0.9
344.18198	1.4
345.08316	2.8
345.12317	0.9
345.24414	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	345.0497
Annotation	4-nitrophenylphosphobutanoyl-glycine
Peak:m/z	Relative Intensity
52.11744	0.2
53.83849	0.3
55.01757	0.3
57.43761	0.2
59.00032	0.6
59.01243	28.5
70.13477	0.3
71.01239	6.6
72.99165	1.0
73.02799	0.8
75.00704	0.3
79.95600	1.6
80.96367	0.9
83.01235	0.5
85.02812	2.3
85.99947	0.8
87.00721	3.4
88.01061	0.4
89.01757	0.5
89.02298	8.5
89.02843	0.6
90.64056	0.3
95.01223	0.5
95.04887	0.6
96.93346	0.7
96.95869	62.0
97.02792	1.5
97.95815	0.4
98.25301	0.3
99.00708	0.4
101.02304	6.2
103.00239	0.6
103.03880	1.2
109.02811	0.9
111.01814	0.4
113.02307	3.6
119.03371	4.3
121.02845	0.7
121.05273	0.3
122.05991	3.5
123.00787	0.4
123.04388	18.9
123.06314	1.2
124.01539	0.5
134.05965	0.5
136.07549	2.0
137.07910	0.7
138.96994	0.6
139.03893	11.4
149.04471	0.4
150.04358	0.6
150.05501	9.1
150.06729	0.5
150.96968	0.5
151.05890	3.3
152.07069	0.9
153.07449	0.5
160.03030	0.4
161.04523	1.5
165.01831	1.3
165.07462	0.4
171.58578	0.3
175.06206	0.5
176.06969	0.8
179.05444	0.5
183.02922	2.1
194.08124	0.4
213.05107	1.0
220.65918	0.3
232.55659	0.3
241.00233	10.7
259.01355	0.6
265.09323	1.1
278.26990	0.3
312.10883	4.3
313.11285	4.1
345.04965	100.0
345.08243	3.9
346.05240	4.8
352.18326	0.3
362.53073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0618
Annotation	Gossypetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
59.00980	1.3
59.01247	17.6
59.89462	0.8
60.55587	0.9
65.00185	2.9
67.01731	1.2
69.03302	1.1
71.01234	2.1
72.99155	3.6
82.67813	0.9
83.01239	3.2
85.02798	1.0
87.00708	1.1
91.01763	3.5
93.03322	9.7
95.01234	6.8
95.93214	1.1
101.02303	1.3
106.00459	3.8
107.99147	1.2
108.02031	88.4
109.02865	7.4
109.99920	1.1
111.00745	15.8
113.02280	1.9
119.01247	5.6
119.04887	1.4
121.02821	39.1
122.06017	1.3
123.00761	4.8
123.04385	57.7
124.01537	3.3
124.04694	1.5
133.06476	1.1
133.99998	9.7
135.00771	1.4
135.02873	3.8
135.49380	1.0
136.01550	1.2
137.02321	2.5
139.00232	6.7
143.04912	2.0
146.06013	3.0
147.00764	1.4
149.02328	57.9
150.02652	1.2
150.05460	1.7
151.00323	1.2
151.05772	1.3
152.01051	12.2
159.04442	2.6
161.04419	1.7
163.00224	2.0
165.01860	8.7
166.02631	5.7
166.99796	6.9
167.03450	6.2
168.04216	1.3
171.04414	26.7
172.04814	1.8
175.03894	3.1
176.01036	1.8
176.04710	3.8
177.01830	24.2
182.02083	2.3
187.03944	11.6
189.05470	2.3
190.04977	4.2
191.07106	4.6
193.01344	15.2
195.02930	41.8
199.03926	3.2
213.01875	1.2
214.02657	4.9
215.03456	31.4
217.75864	1.1
218.04550	12.6
221.00880	75.6
222.01355	3.9
227.03458	1.9
229.05023	2.2
229.08669	2.4
230.01860	1.1
230.05885	5.3
231.03014	1.8
241.05112	1.1
242.02135	11.7
243.02953	7.3
257.04532	2.6
258.05328	10.4
259.02597	1.8
262.04837	2.8
271.02481	2.8
273.07727	2.9
273.15030	2.4
274.04840	14.3
275.05087	1.3
286.01276	1.5
287.01987	2.2
300.06311	1.3
301.03540	13.8
301.25397	11.5
302.04321	30.4
303.04779	3.0
305.66837	1.1
309.20746	1.3
312.10870	1.1
313.11053	1.1
317.03094	2.1
317.06689	43.5
318.06940	2.1
327.21817	1.5
330.03717	3.8
345.06177	100.0
345.13394	7.0
345.22775	14.3
346.06451	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	345.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82650	3.5
59.01239	40.0
62.98130	3.4
71.01225	5.0
81.03310	11.2
93.03291	4.4
95.01263	6.9
106.04092	4.7
107.01253	11.1
108.02028	49.3
109.02850	4.8
116.35577	4.0
119.04916	14.6
121.02852	11.4
121.06483	4.5
122.03622	5.6
123.00742	7.6
123.04388	72.4
125.02333	13.4
130.89648	4.0
133.06476	10.3
135.04488	5.6
142.16490	4.3
149.05927	5.8
150.05562	4.0
151.00169	4.7
152.01042	6.0
157.06367	4.2
160.43242	4.2
161.06015	9.2
166.02614	23.6
167.03403	15.5
167.07124	6.1
175.03931	16.8
175.11214	18.1
176.04709	12.7
177.05476	9.6
179.07098	4.5
191.07085	26.2
193.12247	10.3
221.11925	10.0
247.11621	4.5
274.25955	4.6
281.10324	33.6
290.97131	10.5
301.25369	97.4
309.09854	9.7
334.45184	4.5
344.21481	8.5
345.10123	100.0
345.13596	24.5
345.24527	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27270	0.2
62.69721	0.2
70.58703	0.4
80.52933	0.7
80.53447	0.4
91.73252	0.2
92.02522	2.0
106.04105	8.9
107.04850	0.7
108.02020	0.6
112.67065	0.2
119.04892	14.0
120.05681	0.4
121.02821	6.4
133.05502	0.3
133.06464	5.2
147.08015	0.4
154.28662	0.2
161.09608	1.3
175.11154	1.6
189.12790	0.6
200.70410	0.3
203.14304	0.3
216.73901	0.3
231.17569	0.3
235.19824	0.3
265.13196	0.3
301.25375	100.0
301.39856	0.8
302.25735	0.7
345.24368	72.7
346.24759	1.1
354.50134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27270	0.2
62.69721	0.2
70.58703	0.4
80.52933	0.7
80.53447	0.4
91.73252	0.2
92.02522	2.0
106.04105	8.9
107.04850	0.7
108.02020	0.6
112.67065	0.2
119.04892	14.0
120.05681	0.4
121.02821	6.4
133.05502	0.3
133.06464	5.2
147.08015	0.4
154.28662	0.2
161.09608	1.3
175.11154	1.6
189.12790	0.6
200.70410	0.3
203.14304	0.3
216.73901	0.3
231.17569	0.3
235.19824	0.3
265.13196	0.3
301.25375	100.0
301.39856	0.8
302.25735	0.7
345.24368	72.7
346.24759	1.1
354.50134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68319	0.2
64.62355	0.2
70.58722	0.5
76.07100	0.2
78.26878	0.2
80.52969	0.5
80.53452	0.4
82.00439	0.2
91.73383	0.4
92.02537	1.6
93.03316	0.2
106.04102	7.6
107.04877	0.9
108.02010	0.6
119.04893	11.5
121.02815	5.4
133.05492	0.3
133.06461	4.4
137.02284	0.3
147.08054	0.2
161.09628	1.1
167.21538	0.2
175.11189	1.2
189.12778	0.6
203.14282	0.4
235.19762	0.2
265.15598	0.3
301.25369	100.0
301.38712	0.9
345.24365	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02680	0.7
55.65929	0.2
57.03315	0.3
58.00453	0.3
58.99975	0.5
59.01242	19.8
59.02348	0.3
60.01577	0.4
66.61212	0.2
67.01783	0.3
69.00221	0.2
69.03316	0.9
71.00866	0.6
71.01233	6.2
71.04873	1.3
72.99157	1.2
73.02804	0.8
83.01245	0.7
85.02804	1.1
85.99949	1.2
87.00733	5.9
88.01066	0.3
89.02297	8.9
90.02627	0.3
91.01720	0.3
93.03322	2.0
95.01237	0.8
95.04880	2.8
96.95870	7.3
97.02807	12.2
99.00758	0.5
101.02304	5.6
106.57129	0.3
107.03659	0.5
109.02828	1.6
110.02328	0.3
111.00747	0.6
111.01880	1.5
111.04405	0.7
113.02316	2.2
119.03373	5.8
119.04865	1.0
119.36568	0.2
120.64230	0.3
121.02821	5.6
121.05201	1.0
122.03143	0.3
122.06000	7.2
123.00729	0.7
123.03506	0.5
123.04388	8.7
123.06302	1.7
124.01503	2.5
124.03920	0.4
125.02338	0.6
129.01775	0.5
130.08665	0.4
131.03490	0.5
134.05992	1.2
135.04395	1.2
136.07562	4.3
137.02328	0.9
137.07913	1.6
138.03096	0.6
138.99374	0.9
139.03888	100.0
139.07841	1.0
140.04228	2.9
143.03375	0.6
146.05887	0.4
147.04404	1.0
149.04625	0.8
150.05493	21.1
151.05859	7.0
152.07051	1.9
153.01866	0.3
153.07391	0.7
161.04501	1.2
162.05498	0.7
163.05838	0.4
164.07042	0.5
165.01836	6.2
165.05432	0.3
166.99773	1.4
169.01344	0.4
174.05496	0.5
175.06267	0.9
176.07111	1.7
177.07455	1.4
178.60970	0.3
179.05515	2.7
182.02025	0.4
183.01266	0.5
183.02904	9.7
183.06465	0.3
192.06607	0.3
194.08119	0.8
202.34436	0.3
204.06607	0.7
213.05106	2.5
222.07750	0.7
223.07971	0.6
241.00372	0.5
252.08720	0.4
259.01410	1.8
301.09277	1.8
301.25320	0.6
312.10913	9.2
313.11264	9.6
314.11218	0.4
345.04813	6.6
345.08334	32.2
345.24374	0.6
345.74701	0.3
346.08627	1.7
348.48511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62492	0.1
57.18663	0.2
59.01243	1.3
62.01408	0.2
69.03304	0.3
71.01244	0.6
73.02807	0.6
74.65266	0.2
79.74178	0.2
80.02535	0.3
81.03309	0.7
83.04878	0.2
85.02805	0.4
87.00763	0.4
89.02294	0.4
93.03315	6.0
95.04878	0.9
96.19398	0.2
97.02822	0.5
101.02290	0.4
109.02818	3.9
111.04376	2.1
119.04848	0.2
121.02821	4.4
123.04386	1.4
124.01547	0.5
135.04424	0.2
137.02332	3.0
138.02267	0.2
138.03105	7.4
139.03888	100.0
139.08398	1.1
140.04196	2.1
147.04398	0.6
151.03935	0.4
163.03790	0.3
170.01984	0.2
181.05032	0.3
183.30801	0.2
191.03429	0.7
212.11655	0.2
265.05026	1.0
266.05859	0.2
283.06192	0.3
301.09305	38.8
302.09665	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	345.098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46964	0.2
52.34619	0.2
54.87766	0.3
59.01218	1.0
65.99689	0.9
67.01741	0.5
68.99677	0.2
71.01214	0.3
74.13840	0.2
76.55725	0.3
78.30334	0.2
79.01746	0.2
79.32350	0.2
81.03316	4.7
83.01225	0.4
85.43330	0.2
92.02505	0.4
95.01252	1.8
97.02852	0.3
106.04080	1.1
107.01248	5.7
108.02029	10.3
109.41485	0.3
111.00729	2.8
118.64745	0.2
119.04887	2.4
121.02847	1.8
122.03610	0.6
123.00745	3.2
123.04340	1.4
124.01539	2.2
125.02317	3.8
133.06473	1.0
134.03618	2.9
135.00732	0.5
135.04453	0.4
139.00221	0.6
139.03822	0.3
142.20570	0.3
145.02829	0.5
146.03621	10.3
147.04247	0.5
149.05969	6.4
151.00256	21.9
152.01048	11.1
152.01964	0.2
152.02304	0.3
153.01447	0.3
161.02306	0.4
161.05977	5.4
161.09590	0.5
162.03154	1.3
162.06409	0.5
163.03856	0.4
164.04686	7.7
165.05002	0.3
166.02618	50.6
166.08530	0.7
167.03400	100.0
167.09354	1.0
168.03716	2.9
177.05478	0.4
179.07050	33.8
180.07362	1.2
189.05534	0.3
207.02878	0.3
209.04391	0.4
290.97562	0.3
301.25381	15.6
302.25790	0.6
315.08780	3.4
316.09064	0.3
327.08771	3.3
345.09842	4.8
345.13580	1.3
345.24402	14.3
346.24802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87810	0.7
57.03329	0.7
58.09855	0.6
59.01239	7.9
67.01777	0.6
71.01255	1.2
73.02823	0.9
78.63578	0.6
81.03311	4.1
83.01273	0.8
95.01279	1.5
101.02296	0.7
107.01260	4.3
108.02039	8.7
109.06480	0.8
111.00737	3.8
119.04912	1.1
121.02837	1.9
122.03664	1.4
123.00755	2.8
123.04375	7.0
124.01572	2.1
125.02303	4.5
133.06532	0.9
134.03618	5.7
136.01607	0.8
139.00281	1.5
146.03618	13.0
147.04350	1.1
149.05960	10.0
151.00246	23.0
152.01047	12.4
154.90302	0.7
161.04646	1.2
161.05940	6.7
162.03134	2.4
163.03914	0.8
164.04665	7.2
165.01842	1.1
166.02611	56.7
167.03397	100.0
167.07054	2.9
168.03781	2.7
175.03857	1.9
176.04675	4.0
177.05510	1.7
179.07047	33.8
180.07553	0.9
181.05107	0.8
189.05342	1.0
191.07074	3.9
199.13264	0.9
207.02907	0.8
247.20493	2.7
248.96140	1.0
254.12077	0.8
259.09607	1.3
265.21622	2.1
290.97034	1.5
291.19608	1.0
301.13861	0.8
301.25375	15.6
309.20508	3.1
315.05527	0.7
315.08813	5.1
327.08777	3.4
327.21759	5.9
345.09885	4.5
345.13162	3.9
345.22739	27.4
346.23099	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0982
Annotation	Kushecarpin B
Peak:m/z	Relative Intensity
57.61937	0.4
59.01239	5.9
61.98692	0.5
63.61597	0.4
64.49775	0.4
65.99704	2.3
66.28101	0.4
66.39326	0.4
66.64220	0.4
67.01416	0.6
67.01751	8.4
68.99667	0.9
69.03304	1.0
69.32591	0.4
71.01225	0.8
79.01759	0.9
81.03317	12.2
83.01246	1.1
93.03333	1.5
95.01247	8.2
97.02814	0.7
99.60741	0.5
106.04101	1.0
107.01250	8.2
107.04868	1.0
108.02032	58.4
108.05180	0.7
109.02898	3.9
109.99927	1.0
111.00748	6.2
112.98680	1.1
119.04886	2.9
121.02826	2.9
121.06451	5.3
122.03618	1.7
123.00764	6.5
123.04390	42.3
124.04742	0.9
125.02314	11.9
126.48698	0.4
130.04131	1.2
131.04895	3.6
133.02815	1.5
133.06474	1.9
134.03587	1.2
135.04393	1.2
138.03111	2.4
139.00261	0.9
147.04393	1.7
149.05980	5.4
151.00223	1.5
151.03896	1.6
152.01065	2.1
152.80525	0.5
153.01678	0.5
159.04486	0.6
161.04605	1.0
161.05977	2.5
162.03200	0.5
164.04675	0.7
165.05632	0.6
166.02618	20.1
167.03406	5.6
167.06966	0.8
175.03976	1.5
175.11159	1.0
176.04660	1.7
177.05487	4.8
179.07037	0.5
183.06477	0.5
190.72974	0.5
191.07068	2.8
201.11240	0.8
202.11653	0.8
202.23825	0.4
241.05106	0.5
271.09735	0.7
273.14944	0.7
280.98392	0.5
281.10382	1.0
286.08466	2.2
301.10843	1.5
301.14282	0.5
301.25345	6.1
309.09760	0.8
312.09933	0.6
344.21582	5.5
345.09824	100.0
345.13077	3.6
345.21637	3.1
345.24432	3.1
346.10104	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	345.0981
Annotation	5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone
Peak:m/z	Relative Intensity
58.08310	0.7
59.01230	2.1
65.03796	0.9
69.95020	0.7
70.19204	0.8
82.39412	0.9
85.49998	0.8
87.24963	0.8
88.68195	0.9
91.15295	0.9
93.03313	10.8
97.05905	0.7
103.14956	0.7
108.02026	11.2
109.02802	2.5
121.02817	52.5
122.03609	26.4
123.00753	1.8
123.04404	8.0
124.01518	2.1
134.03618	4.1
135.04419	5.9
136.01547	4.3
136.05136	2.1
137.02313	1.5
137.05971	1.2
139.00247	1.1
145.02814	1.9
146.03572	1.9
149.02321	4.6
150.03119	4.9
151.00217	2.4
153.01825	2.0
158.81459	0.8
159.04347	0.9
162.03122	1.4
163.00253	1.8
163.03908	3.3
164.04695	3.2
165.01833	50.5
165.05475	4.3
166.02608	22.1
167.03432	1.3
167.04979	2.4
168.04233	1.3
169.06480	3.5
171.04453	1.1
175.03909	1.7
176.04634	0.9
177.05449	4.0
178.02634	3.3
179.03473	1.1
180.04205	28.0
180.05708	2.5
181.04988	1.4
181.06502	3.4
182.03680	1.2
183.04420	2.5
185.05995	8.4
187.03940	1.9
190.99783	2.2
191.07002	0.9
194.02138	15.8
195.02899	1.0
195.04425	5.8
195.06042	0.9
196.05194	4.9
197.05981	9.6
198.01607	11.9
199.03854	1.9
206.02133	5.2
207.02899	6.7
208.03687	9.3
208.05363	2.2
209.04466	54.7
210.04773	1.4
211.03979	2.6
212.03169	36.4
213.03560	1.2
213.05510	25.6
214.06174	1.0
215.03503	1.1
221.04510	25.5
223.03978	5.1
224.04709	11.6
225.05527	25.7
226.06114	2.7
229.05048	1.0
235.03940	1.5
236.04807	1.9
237.05576	4.5
239.03557	1.6
239.07124	3.7
240.04251	4.7
240.07985	1.3
241.05034	69.9
242.05724	13.9
243.06569	1.2
245.04593	1.2
252.07945	1.3
253.05069	23.9
254.05380	2.1
255.06683	2.0
256.07401	23.2
257.04581	1.4
257.08142	3.6
259.06100	3.0
260.06842	2.5
267.03046	2.4
268.03751	1.8
268.07416	11.3
269.04602	9.4
271.06256	1.5
271.09805	5.3
281.04474	3.1
282.05246	2.4
283.06152	2.4
283.09863	2.2
284.06870	2.1
285.04062	11.5
285.07220	1.5
286.04794	5.2
295.06061	1.3
296.06830	7.4
297.04077	25.4
297.07364	1.5
298.04349	1.5
299.05554	1.2
300.06387	30.3
301.07147	13.6
311.05649	2.2
312.06406	28.4
313.06696	1.3
315.08765	98.1
316.09131	6.0
317.10312	3.7
322.95386	1.3
327.08740	56.5
328.00366	1.0
328.09058	3.4
330.07446	1.8
345.09802	100.0
346.09955	4.9
368.52332	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1092
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
50.40325	0.5
50.40522	0.3
50.64045	0.5
57.67991	0.3
59.01238	0.7
60.44332	0.2
63.72932	0.3
74.06962	0.3
80.04916	0.3
80.49649	0.4
80.50049	0.3
84.04401	0.3
86.02382	0.4
92.35275	0.3
94.06514	0.5
95.03622	2.1
96.04414	0.5
96.08073	0.7
104.04928	1.6
105.33705	0.3
105.96210	0.3
106.06495	4.4
112.03899	0.6
121.02837	0.5
122.06001	2.2
122.34895	0.4
124.07555	10.6
125.07899	0.4
132.04431	32.4
133.05219	35.7
133.09373	0.5
134.06024	7.1
148.03920	1.4
150.05510	1.7
165.04214	12.9
171.06781	0.4
176.03447	1.0
176.07045	0.8
177.04234	6.0
178.05022	2.0
178.75391	0.4
184.07637	1.0
185.08475	0.8
186.09169	3.9
187.05061	0.5
187.08659	0.9
198.09203	1.0
207.25223	0.3
209.03310	3.1
212.10851	0.5
213.06613	3.6
213.10434	0.3
214.12328	6.7
215.11835	7.0
225.06631	0.6
226.07439	1.1
227.08160	1.0
228.08940	0.5
229.09821	3.6
237.61693	0.4
239.11816	0.4
240.10176	1.3
241.09831	3.2
255.11386	1.0
257.12955	22.1
258.13330	1.2
267.06393	0.3
283.10901	8.0
284.11200	0.6
301.11963	18.0
301.25369	2.6
302.12253	0.8
327.09833	1.7
345.10944	100.0
345.28619	0.8
346.11307	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	345.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40339	0.8
50.64048	0.8
51.70215	0.5
53.37881	0.5
59.01256	0.7
60.21128	0.5
61.81716	0.6
64.07384	0.5
66.52718	0.5
72.99182	1.5
74.06962	0.6
74.99586	0.5
79.96650	0.6
95.03629	3.8
96.04406	0.9
96.08054	1.9
101.05969	0.6
104.04937	1.9
106.06474	7.1
121.76585	0.6
122.06006	4.3
124.07550	16.8
132.04428	48.7
133.05217	48.9
133.09251	1.0
134.06027	10.4
136.03865	0.6
148.03943	1.3
150.05519	1.8
165.04211	18.8
176.03467	1.7
177.04211	9.8
178.04961	3.4
181.12256	0.8
184.07611	1.5
185.08505	1.1
186.09140	6.1
187.08730	1.3
193.12233	1.0
195.12993	1.2
198.09206	1.1
209.03278	5.1
212.05891	0.8
212.10751	0.8
213.06610	4.1
214.12334	9.5
215.11826	11.4
219.61948	0.6
226.07475	1.9
227.08272	1.2
229.09869	5.6
240.10246	2.7
241.09737	5.0
257.12958	41.6
258.13321	2.3
283.10910	11.6
293.74258	0.9
301.11935	31.2
301.25366	1.6
302.12234	1.8
327.09927	2.3
345.10941	100.0
346.11292	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	345.119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03294	0.4
57.35558	0.3
58.67605	0.3
59.01241	19.5
71.01247	0.6
71.04877	1.1
72.99173	1.9
73.02795	0.5
83.04881	12.4
85.02763	0.4
87.04358	0.4
89.02293	0.5
93.03326	0.6
99.05658	1.1
99.08012	100.0
99.10681	1.5
100.08348	2.5
101.02316	0.8
101.05920	2.4
106.04075	0.4
109.02827	0.8
109.06474	1.8
115.03864	0.9
119.03358	0.4
119.04908	0.9
120.05676	0.6
121.02806	1.8
123.04414	1.0
133.06433	0.4
138.06731	2.0
139.11171	1.3
141.01730	0.6
147.04321	0.4
161.04532	0.4
165.12781	0.4
167.14290	0.6
177.12762	24.7
178.13127	1.1
179.06883	0.4
180.11485	1.4
195.13829	14.8
196.14272	0.8
209.11781	2.6
221.11809	1.4
222.22110	0.4
239.12860	10.5
239.15158	0.7
240.13248	1.0
253.10786	1.0
271.11923	6.1
272.11966	0.5
283.11954	2.8
285.17157	3.0
301.25372	10.1
302.25620	0.5
307.87842	0.4
327.10934	2.6
331.09341	0.5
345.06134	0.4
345.15472	1.0
345.24408	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	345.119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00051	1.6
59.01242	98.6
59.02592	0.9
60.01579	1.0
71.01237	4.8
72.99171	2.3
73.02820	1.1
75.00737	0.7
77.46134	0.4
78.71443	0.4
83.97813	0.4
85.02803	2.1
85.99953	0.9
87.00732	3.6
89.02297	3.9
93.03327	1.4
95.01231	0.6
95.04884	2.1
96.95866	16.5
99.00700	0.9
99.96519	0.4
101.02309	4.3
103.00216	2.3
105.03293	0.7
109.02803	1.5
111.01911	0.7
113.02284	2.6
119.03347	2.1
119.04827	0.5
121.02817	2.6
121.05167	0.4
122.06001	4.0
123.00819	2.1
123.04385	100.0
124.01528	4.6
124.04717	2.1
135.03015	0.5
135.04434	0.8
136.07570	2.2
137.02321	0.6
137.07896	1.8
139.03889	21.2
140.04237	0.5
146.05971	0.8
146.99222	1.9
149.02402	0.5
150.05495	12.2
151.05869	6.7
152.07068	1.0
153.07426	0.5
157.64488	0.5
161.04437	5.0
164.06967	0.5
165.01787	0.5
166.99747	2.0
168.00478	1.0
169.01334	0.6
169.11975	0.5
176.06970	0.8
177.07396	0.8
179.05516	0.9
183.02887	2.0
187.97388	0.5
213.05124	1.5
241.00256	1.0
254.04243	1.9
259.01315	13.4
265.09280	1.2
285.09799	1.5
301.09299	0.7
301.25333	0.8
312.11008	3.7
313.11258	7.8
330.05954	0.6
345.04858	12.0
345.08374	4.7
345.12930	0.8
345.24255	1.0
346.04749	0.5
346.08301	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54078	0.6
52.56902	0.6
57.03315	0.8
59.00965	1.1
59.01239	11.7
61.98692	4.5
69.03328	0.6
71.01247	1.4
72.97418	1.6
72.99163	100.0
73.00733	1.5
73.02798	1.3
73.99506	1.1
75.00721	2.2
83.04876	11.9
85.02805	0.9
87.00739	1.1
87.69640	0.6
93.03323	2.4
95.04909	1.4
97.02851	0.8
97.06456	1.6
98.02346	0.9
99.04376	2.1
99.08013	15.0
101.02299	1.0
101.05949	5.6
106.04092	1.4
107.04875	1.6
108.02020	0.8
109.02824	2.0
109.06458	1.7
111.04363	5.0
116.07012	1.5
119.04882	2.7
120.99515	1.0
121.02819	2.6
123.04408	3.6
124.05155	4.6
125.02319	1.0
127.03889	1.5
127.07520	2.3
128.03412	1.4
129.05482	0.8
130.08621	0.7
133.02925	0.7
133.06453	1.0
135.04398	0.9
135.11501	0.8
138.05492	4.7
138.06760	2.7
139.03917	1.3
139.11188	3.0
143.04521	1.5
147.11681	1.4
153.12701	4.5
155.03304	1.0
155.14285	1.5
155.18192	0.8
163.11111	1.2
165.12737	8.3
166.09900	1.6
167.14331	2.0
171.06516	2.2
173.04457	9.6
177.12813	3.1
180.11458	2.3
181.12248	7.7
191.10634	4.0
193.12280	2.1
195.13857	4.4
199.02426	2.9
203.03613	0.8
209.11794	8.2
217.03468	12.6
221.11792	4.1
222.12132	0.9
227.12944	5.4
227.14867	0.9
239.12834	7.5
257.13934	82.9
258.14246	5.2
259.10895	1.3
265.10898	0.9
283.11819	6.7
301.12915	41.2
301.25391	20.8
302.13370	3.2
309.14566	1.1
327.10974	3.1
334.37280	1.8
345.06097	1.0
345.11954	16.3
345.24371	13.0
346.12125	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10893	0.8
54.76369	0.7
57.24158	0.7
58.00457	1.2
59.00032	1.8
59.01242	100.0
59.02556	1.0
60.01567	1.1
61.98685	1.7
64.03962	0.6
64.20229	0.7
71.01240	28.6
72.99161	3.6
73.02803	2.0
73.90833	0.7
77.55225	0.8
78.95749	0.9
79.05383	3.1
81.03313	2.0
83.01218	2.0
83.04873	1.9
85.02808	3.5
87.00717	3.5
89.02296	48.3
93.03326	1.7
95.01257	1.1
96.39606	0.7
99.00728	0.8
99.08018	4.3
101.02303	37.0
102.02671	0.9
106.04117	1.0
111.04405	1.2
113.02293	7.0
119.03366	44.0
119.96753	0.8
120.99525	1.1
121.02845	1.5
121.06458	30.9
122.06789	1.2
123.04391	4.7
125.02337	0.9
127.07532	1.0
128.03403	1.0
133.06508	0.8
135.04362	1.3
137.02284	1.0
143.03369	2.7
149.04457	1.8
161.04475	3.6
165.05470	62.4
166.05840	1.9
166.87195	0.8
171.06628	1.1
171.56305	1.0
173.04456	7.3
177.12717	1.1
179.05531	7.1
217.03503	1.7
257.13913	1.5
301.25415	9.9
327.10995	1.4
345.11945	47.8
345.24274	9.8
346.12259	2.4
365.04840	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22129	0.9
57.03325	1.0
59.00969	0.9
59.01243	12.7
61.98693	5.1
62.51455	0.6
67.01747	1.6
67.08263	0.6
69.03314	1.4
71.01242	3.1
71.04871	1.1
72.97401	1.5
72.99165	100.0
73.00734	1.5
73.02802	0.9
73.99478	0.7
75.00712	1.6
81.03310	2.4
83.04871	11.8
87.00737	1.6
93.03318	17.8
93.54844	0.8
95.04871	2.0
97.02808	1.3
97.06499	1.1
99.00730	1.2
99.04370	2.1
99.08005	14.9
101.02335	0.9
101.05952	5.7
106.04087	1.7
107.04852	1.2
109.02802	1.5
109.06443	3.7
111.00745	2.0
111.04382	6.5
113.02339	0.8
113.05943	1.0
119.04896	2.7
120.99544	1.2
121.02818	2.6
123.04383	4.9
124.05162	3.1
125.02372	0.9
127.03922	0.7
127.06641	1.3
127.07520	15.6
128.03459	1.7
128.07870	0.8
130.08641	1.1
133.06468	1.5
135.04425	1.1
135.11624	1.5
137.02324	2.3
138.06720	1.4
139.03938	1.0
139.11176	3.4
143.04478	1.2
144.41093	0.7
147.11668	1.2
153.12764	2.6
155.03403	3.6
155.14320	0.9
161.04442	1.1
163.11142	1.7
165.12726	8.9
166.09860	1.2
167.14284	2.0
171.06537	10.6
172.09598	0.8
173.04460	62.9
174.04842	2.3
175.11185	1.0
177.12758	3.2
180.11476	1.5
181.12241	7.5
183.13797	0.9
191.10696	2.7
193.12282	1.7
195.13885	5.1
199.02455	4.6
209.11777	8.4
217.03491	15.7
217.50949	0.7
221.11806	4.8
227.12785	5.1
239.12923	6.6
240.13416	0.8
257.13937	78.3
258.14310	4.7
283.11978	5.3
283.20981	0.9
301.12936	39.7
301.25363	27.4
302.13239	2.8
309.14355	0.9
327.10858	2.8
330.04172	0.9
334.37262	1.3
345.05789	1.1
345.11948	23.8
345.24356	11.6
346.12146	1.5
346.24612	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1192
Annotation	Galiridoside
Peak:m/z	Relative Intensity
51.46426	0.5
53.66785	0.6
55.01732	0.7
55.97876	0.6
57.00536	0.5
57.03310	0.9
59.01241	26.0
60.01560	0.6
67.01731	2.5
69.03310	0.7
70.06652	0.6
71.01239	24.3
72.01557	0.9
72.55016	0.6
72.99162	1.2
73.02804	29.4
79.27913	0.6
81.03314	6.8
83.01254	4.0
83.04378	1.3
83.04878	24.6
85.02796	9.9
85.99952	0.8
87.00735	1.6
89.02287	2.2
93.03319	1.2
95.01231	1.6
95.04874	1.5
99.00081	1.2
99.00736	26.0
99.08013	30.4
100.08383	0.6
101.02297	19.4
101.05938	2.9
106.04147	1.3
107.04879	1.6
108.02059	3.4
109.02814	7.9
109.06462	5.7
111.00739	27.5
111.03828	0.9
111.07935	0.6
113.02306	6.3
113.09560	1.9
115.00241	3.6
117.01797	14.6
119.04877	2.8
121.02812	3.1
122.03616	1.8
123.04395	5.4
124.01517	1.5
125.02303	2.2
125.05875	0.8
127.03877	46.0
128.04245	0.8
133.02853	1.1
133.06482	1.3
135.04388	2.8
136.01530	0.9
136.05142	0.9
137.02322	1.7
137.05971	0.6
137.09599	1.4
139.03891	1.8
139.11142	2.9
150.05484	1.3
151.05798	1.1
152.01024	0.8
153.01779	5.0
154.99762	3.0
159.02919	1.2
161.04466	9.3
165.01793	0.8
165.09105	4.9
171.02890	25.4
177.12753	2.2
179.03397	1.3
179.10706	10.0
183.06618	0.8
183.10170	3.7
184.10541	1.1
185.11810	2.0
193.12280	8.9
195.13895	4.5
197.00832	2.4
209.08148	4.8
213.05730	0.7
215.01920	6.2
221.11794	2.9
223.09721	9.5
224.10246	0.8
229.10805	3.0
230.88733	0.6
237.11247	1.4
239.12869	9.1
242.05869	1.0
265.10831	2.4
283.11899	16.4
286.04782	1.1
300.10065	1.2
301.03839	1.4
301.07138	3.6
301.16559	13.7
301.25375	17.0
302.16840	0.9
309.09857	12.1
315.12439	1.4
327.10867	100.0
328.11285	6.1
339.39236	0.8
345.02875	1.0
345.11853	34.1
345.15613	38.8
345.24319	15.6
346.12146	1.6
346.15927	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	345.1192
Annotation	Koaburside
Peak:m/z	Relative Intensity
51.13501	0.3
51.51227	0.2
56.88824	0.2
56.91679	0.2
57.03297	0.2
58.52644	0.2
59.01242	2.5
66.84109	0.2
71.01240	0.6
83.01248	0.3
85.02815	0.3
87.00736	0.2
88.03902	0.6
89.02303	0.5
91.05373	0.3
93.03326	0.7
101.02328	0.3
101.84167	0.2
106.88019	0.2
108.02067	0.6
109.02814	3.5
113.02287	0.4
119.04887	0.5
121.02808	0.7
121.06483	0.4
123.04398	4.3
124.01537	0.5
125.99207	0.3
129.03325	0.3
133.02820	1.3
137.02318	2.1
138.03107	40.9
139.03909	7.7
141.82362	0.2
145.02838	0.3
146.03670	0.3
147.04405	3.9
149.02286	1.2
150.05437	0.4
151.02754	0.2
151.03888	1.0
151.05772	0.3
153.05460	15.0
154.05714	0.4
161.04427	0.4
163.03906	0.6
165.05518	0.3
168.04185	56.7
168.09676	0.7
169.04553	1.6
170.02097	0.3
172.13269	0.2
172.99979	0.2
173.02368	0.4
182.99406	0.7
183.06543	100.0
183.12712	1.0
184.06903	2.8
191.03427	3.0
191.05238	0.3
200.19238	0.3
209.06082	0.5
215.02733	0.2
224.43440	0.2
235.02527	0.7
237.05510	0.8
239.03455	0.2
257.04401	0.3
265.05063	4.1
266.05542	0.4
273.00330	0.3
283.06128	2.5
301.06454	0.4
301.09811	1.4
345.11963	6.3
346.12476	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1192
Annotation	Eranthemoside
Peak:m/z	Relative Intensity
56.37311	0.3
57.03307	0.4
57.17189	0.3
59.01242	9.3
71.01239	7.4
72.01601	0.3
72.99185	0.4
73.02808	4.6
79.05382	4.1
81.03325	3.0
83.01238	1.1
85.02804	2.9
85.54578	0.3
87.00754	0.5
89.02303	0.6
95.01226	0.5
99.00741	0.9
101.02302	5.2
101.26541	0.3
103.38368	0.3
109.02810	0.9
113.02303	3.9
121.02834	0.5
123.00860	1.5
123.04386	100.0
124.04734	2.4
137.02316	1.0
138.03105	32.3
138.07718	0.4
139.03975	2.2
140.24316	0.3
143.03401	0.6
147.04440	0.8
150.05501	0.9
151.05833	0.6
153.05463	11.4
159.02869	1.4
161.04453	21.8
162.04802	0.3
165.01813	0.6
165.05470	1.2
167.98642	0.6
168.04181	40.2
169.04486	1.5
170.02148	0.4
183.06544	77.3
184.06844	2.6
285.09744	4.1
301.09271	1.0
301.25229	1.0
313.11270	0.4
345.08350	0.5
345.11917	3.9
345.24323	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.3
59.00158	1.4
59.01241	100.0
59.02492	1.7
59.58560	0.2
60.01579	0.8
69.02249	0.2
71.01238	9.6
72.99163	0.3
73.02808	2.7
79.38216	0.2
83.01239	0.9
85.02805	4.3
85.03300	0.3
87.00739	0.4
89.01844	0.2
89.02299	1.1
91.68642	0.2
95.01263	0.8
96.95899	0.4
97.02795	0.4
99.00733	1.5
101.02302	5.7
108.02029	5.7
109.02831	0.4
113.02312	4.1
116.75430	0.2
119.03416	0.3
120.99532	0.2
123.04391	4.8
125.02359	0.2
129.01775	0.2
139.03893	0.3
143.03407	0.6
147.04404	0.3
150.05553	0.2
159.02890	1.1
161.04453	12.7
161.10077	0.2
176.04808	0.2
183.06575	0.4
190.99828	0.2
191.07037	0.3
205.03444	0.4
246.63779	0.2
248.85965	0.2
271.12207	0.2
285.10007	0.3
301.25403	0.5
307.13998	2.5
313.11346	0.2
345.12054	0.4
345.15897	0.3
345.24585	0.3
365.20380	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	345.119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01825	0.4
55.64269	0.4
59.01240	7.4
62.16640	0.5
71.01222	1.6
71.04866	1.4
72.99171	2.2
73.02812	0.8
77.08448	0.5
79.75509	0.6
83.04871	10.9
89.02299	1.4
89.41703	0.5
96.37175	0.5
99.05386	1.2
99.08010	100.0
100.08334	3.7
101.02296	1.2
101.05941	1.8
106.04108	0.8
108.02016	0.6
109.02783	1.5
109.06459	1.1
113.02267	0.6
115.03876	1.1
119.03334	1.0
119.04861	1.4
121.02817	2.3
123.04416	1.3
138.06726	1.1
139.11151	1.3
149.09663	0.8
154.42154	0.5
165.09074	0.6
165.12701	0.5
167.07045	0.6
167.14322	0.8
173.04497	0.5
175.07539	0.5
177.12756	25.0
178.13110	1.5
180.11513	1.3
195.13841	14.5
195.15619	1.0
196.14177	1.0
209.11836	3.4
221.11742	1.2
239.12891	10.6
253.10759	1.4
257.12936	2.1
271.11908	7.4
272.12314	0.9
283.11874	2.0
297.11395	0.8
301.25348	18.8
302.25684	1.1
327.10867	3.5
345.11191	1.5
345.15549	2.2
345.24353	15.8
346.24680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03115	1.0
57.03320	12.3
59.00964	1.8
59.01242	17.4
71.01240	1.4
77.29523	1.3
83.04884	4.1
93.03335	2.0
95.04876	3.6
99.08015	60.0
99.63051	1.1
106.04099	1.2
107.04889	11.0
108.02046	1.6
109.06464	2.8
110.40825	1.2
111.08009	1.7
119.04887	9.7
121.02825	2.4
123.04399	17.7
123.08052	1.9
125.09589	82.1
126.09972	2.7
127.07567	2.5
133.06490	3.1
135.04440	2.1
135.08049	11.1
140.63962	1.3
144.05690	5.1
151.00285	1.9
161.04506	2.6
161.06000	3.9
162.06804	2.2
163.07558	2.3
166.02612	3.5
167.03413	6.8
175.03868	1.6
176.04773	1.9
177.12799	2.6
179.07114	3.9
186.95575	2.1
189.05516	2.8
191.07085	4.4
191.10753	1.8
201.12764	13.5
219.05092	1.7
219.13863	100.0
220.14279	4.6
248.96107	2.8
263.12909	59.0
290.97025	4.2
301.14395	2.2
301.25366	31.2
344.94321	1.7
345.13339	11.8
345.24451	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77748	0.5
53.40034	0.6
53.66270	0.6
55.01744	2.0
56.76359	0.6
57.03304	2.8
58.00447	1.3
58.46868	0.6
59.00100	1.4
59.01242	87.4
59.02467	1.3
62.81750	0.6
70.99751	0.8
71.01240	49.4
72.02868	0.6
72.99159	2.1
73.02806	14.3
75.92863	0.6
83.01239	8.1
85.02803	21.1
85.99952	1.0
87.00742	2.1
89.02299	33.4
91.73328	1.0
95.01250	3.4
99.00735	3.9
99.08016	1.8
101.02303	47.8
109.02814	1.1
113.01557	1.4
113.02309	20.9
113.08953	0.7
119.03373	22.0
119.04787	1.5
121.02752	1.2
121.10106	7.1
122.03604	2.8
123.04379	1.3
131.03365	0.8
134.03601	1.3
137.09679	0.8
143.03404	2.2
147.04420	5.6
159.02834	1.2
161.04478	8.1
163.35501	0.7
165.09113	2.3
171.54904	1.7
175.03914	18.6
176.04698	29.2
179.05544	1.3
183.10164	1.0
190.06189	3.8
191.07056	35.1
192.07434	1.4
203.62827	0.7
237.83841	1.2
243.23500	0.8
256.56308	0.8
297.11368	1.0
301.16660	2.1
301.25366	8.6
312.09860	0.8
327.12369	1.8
334.76541	0.8
345.15561	100.0
346.15881	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39415	0.3
55.01753	0.7
57.03316	2.0
58.00465	1.1
59.00103	1.4
59.01243	71.8
59.02547	1.0
60.01579	0.6
63.93187	0.4
66.22904	0.4
69.28471	0.4
70.99720	0.7
71.01239	41.9
71.02940	0.5
72.99183	2.4
73.02803	13.4
73.03196	0.8
75.00753	0.6
81.03316	0.8
83.01239	8.3
85.02806	17.0
85.99982	1.1
86.03159	0.5
87.00742	2.2
89.02296	30.9
91.73288	0.6
94.07517	0.4
95.01243	3.3
97.02794	0.5
99.00739	4.2
99.04379	0.6
99.08012	2.2
100.08349	0.7
101.02303	45.0
102.02696	0.6
105.29829	0.4
105.49731	0.4
108.02044	0.6
111.00770	1.1
111.04420	0.5
113.02309	17.7
119.03365	17.6
121.02843	1.8
121.10087	6.0
122.03636	0.5
123.04408	0.8
125.02357	0.8
131.03372	0.7
134.03648	1.2
135.04434	0.9
139.11186	0.7
143.03387	1.8
146.03619	0.8
147.04413	0.7
149.04486	1.0
149.05969	1.3
150.07854	0.4
159.02907	1.8
161.04451	7.0
161.05812	0.8
165.05482	0.7
165.09126	1.2
166.06349	0.4
167.07057	1.2
167.10585	0.7
171.54826	1.4
175.03918	3.0
176.04713	3.9
179.05524	1.1
179.07011	1.0
183.10231	1.6
190.06358	1.2
191.07072	4.8
226.58401	0.5
237.83939	0.5
242.02434	0.5
244.41492	0.4
264.07785	0.8
267.10342	0.9
297.11298	2.8
301.03433	0.4
301.16769	2.3
301.19611	0.4
301.25531	0.7
345.15555	100.0
346.15942	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2283
Annotation	oscr#20
Peak:m/z	Relative Intensity
57.02850	0.1
57.03106	0.2
57.03408	1.2
58.00279	0.1
58.00537	0.3
59.01069	0.2
59.01318	0.3
61.53401	0.1
69.03401	0.2
71.04632	0.2
71.04985	0.5
78.02621	0.1
83.04966	0.3
95.04410	0.1
95.04979	0.2
95.13546	0.1
97.06573	0.6
106.04224	0.2
106.41917	0.1
111.08167	0.4
119.05051	0.5
122.03769	0.6
123.04495	0.3
123.08174	0.4
125.09583	1.9
127.11147	1.5
132.31554	0.1
133.06477	0.1
137.02406	0.2
137.09752	0.6
139.11162	1.6
141.12859	0.1
143.10748	0.4
153.12933	0.4
155.10664	1.0
167.07043	3.8
169.12428	0.2
171.10173	1.7
177.16505	0.5
183.10349	0.6
183.13870	0.2
201.11282	1.0
224.31943	0.1
225.22444	0.2
247.20660	11.0
248.21217	0.5
253.21825	0.6
263.20300	0.4
265.21732	8.1
266.22250	0.5
273.18588	1.0
278.63821	0.2
281.21280	0.5
283.22772	1.2
289.18167	0.2
291.19669	5.7
292.20038	0.3
299.22336	0.2
301.25684	2.2
307.19202	0.3
309.20728	13.0
310.21225	0.6
327.21793	18.4
328.22046	0.8
345.22824	100.0
346.23172	6.8
364.42377	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	345.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72079	0.3
58.12628	0.4
58.99933	0.5
59.01244	32.6
59.02390	0.5
61.98681	0.5
70.74427	0.4
74.02359	0.5
75.55732	0.6
77.35572	0.4
79.95578	0.6
80.79951	0.8
93.03359	0.4
96.95865	1.3
97.06489	0.8
98.73404	0.3
99.08018	5.6
99.22644	0.4
101.92680	0.4
106.04108	1.5
109.06438	0.9
111.07990	1.1
113.09573	2.5
119.04899	4.6
121.02833	2.9
123.04407	2.0
123.08035	0.5
125.09614	0.9
127.07529	0.5
127.11185	1.5
129.09084	8.7
132.48845	0.4
133.06456	1.7
135.04436	0.5
139.11162	1.2
141.09071	1.0
143.10648	5.9
145.18646	0.5
149.05939	0.5
155.10664	3.1
157.12199	1.1
159.04362	0.4
161.09685	0.6
167.07050	0.7
178.26688	0.5
188.95653	0.7
225.18498	0.6
227.20131	0.9
235.16972	0.5
237.18585	4.1
239.20125	2.6
255.19618	1.8
257.21225	10.2
258.21527	0.5
259.02335	0.9
285.20728	21.0
286.21130	1.2
287.01944	1.0
290.97025	0.7
301.25388	41.4
302.25677	2.9
303.21786	100.0
304.22137	7.4
308.09558	0.5
315.01480	2.4
330.03848	1.7
345.06433	2.4
345.13751	2.8
345.23022	34.8
346.23169	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	345.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03245	0.5
59.01185	6.1
68.05695	0.9
68.06005	0.6
71.01205	0.5
71.04836	0.6
71.68272	1.0
71.68615	1.1
72.99120	0.5
73.02782	0.6
76.52562	0.5
92.02497	0.8
93.03233	0.8
97.06394	1.5
99.08020	8.0
101.02271	0.8
106.04116	3.7
108.01978	1.2
109.06393	1.3
113.09470	0.7
118.83286	0.6
119.04897	7.8
121.02825	4.9
122.03510	0.7
123.04391	3.1
127.07449	0.7
129.09094	5.1
133.06467	4.4
136.62263	0.6
139.11107	0.7
141.12718	3.7
151.00195	0.6
153.05110	0.6
153.25854	0.6
161.05960	1.3
161.09554	0.7
169.12285	3.6
171.13812	11.7
175.11104	2.4
183.13879	3.5
185.15411	5.7
189.05470	1.0
193.12172	1.2
197.15239	0.6
197.56361	0.6
199.16960	0.7
203.03413	0.6
203.14282	0.7
209.15421	0.6
223.20644	1.8
234.54993	0.7
237.22269	0.9
239.20044	2.2
241.21701	2.5
249.18611	1.2
251.20178	11.5
253.21678	2.8
255.23195	0.7
259.02628	1.1
269.21198	4.8
271.22809	50.2
272.23123	2.8
273.24371	100.0
274.24765	6.5
281.10272	1.6
285.20773	0.7
287.01971	1.9
298.91064	0.8
300.25369	0.7
301.25378	80.7
302.25763	5.5
303.21805	0.7
315.01523	4.3
317.23309	3.5
330.03830	2.9
343.83112	0.7
345.06274	4.5
345.13474	6.1
345.24384	50.9
346.24585	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	345.2434
Annotation	Ginkgoic acid
Peak:m/z	Relative Intensity
53.99876	0.3
62.63879	0.3
67.95941	0.4
75.88388	0.3
80.11488	0.3
80.33966	0.3
80.52932	1.0
80.53429	0.8
92.02493	1.5
92.73643	0.4
96.93428	0.3
106.04099	6.5
107.04887	0.6
119.04890	11.0
121.02805	5.5
133.06464	3.9
161.09511	0.8
175.11186	1.1
189.12822	0.5
203.14328	0.6
211.60240	0.3
257.89032	0.3
259.20691	0.5
266.39606	0.4
291.75690	0.4
299.23734	0.4
301.12070	0.9
301.25366	87.5
302.25687	6.3
325.91901	0.3
327.26913	0.4
345.24362	100.0
346.24695	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	345.2436
Annotation	Ginkgoic acid
Peak:m/z	Relative Intensity
51.68137	0.3
52.13242	0.3
53.13891	0.2
71.32810	0.3
79.25676	0.4
79.97482	0.3
80.52940	0.6
92.02541	1.7
95.50166	0.3
106.04103	6.5
107.04874	0.7
108.01981	0.4
111.07059	0.4
119.04899	10.2
121.02819	5.6
133.05638	0.4
133.06465	4.5
134.46886	0.3
161.09560	1.4
175.11153	0.9
192.31573	0.3
217.15933	0.3
233.66039	0.3
252.27853	0.4
265.15753	0.6
291.79324	0.3
301.25378	100.0
302.25723	6.3
345.24371	49.4
345.27734	2.1
346.24725	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2434
Annotation	Ginkgoic acid
Peak:m/z	Relative Intensity
54.53910	0.4
59.01237	2.9
61.39157	0.3
65.59106	0.3
68.70684	0.3
70.58742	0.4
77.99938	0.4
80.52954	1.4
80.53459	0.8
92.02518	1.5
95.74336	0.4
99.00793	0.4
106.04088	4.5
107.04874	1.1
108.02029	1.1
117.27436	0.4
119.04098	0.7
119.04897	11.7
120.05312	0.4
121.02820	7.5
123.04377	0.7
133.06451	4.6
137.02303	0.5
143.92484	0.4
147.07993	0.6
161.09581	0.8
170.06242	0.4
175.11179	1.4
176.04556	0.5
180.94522	0.4
188.82747	0.4
189.12770	0.6
222.76949	0.4
225.26326	0.4
231.17455	0.6
232.42966	0.4
244.65019	0.4
245.19237	0.4
265.15710	0.6
301.25375	100.0
302.25696	6.4
332.63864	0.5
345.24365	82.1
346.24667	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	345.2436
Annotation	Ginkgoic acid
Peak:m/z	Relative Intensity
52.97295	0.5
59.01190	0.7
66.48760	0.5
70.32307	0.6
77.71714	0.5
78.88273	0.6
79.03282	0.5
79.80260	0.5
80.52957	1.2
84.98354	0.5
85.82021	0.5
92.02486	1.4
105.86930	0.6
106.04088	6.2
107.04868	0.6
108.01983	1.2
119.04893	12.3
121.02812	8.0
133.06447	5.9
161.09587	1.2
175.11127	1.7
189.12769	1.2
190.89735	0.6
192.00700	0.7
301.25381	100.0
302.25726	5.8
345.24387	71.5
346.24612	5.1
346.58401	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93219	0.3
54.32130	0.3
58.89462	0.2
63.20948	0.3
70.58717	0.4
78.65808	0.3
80.26240	0.3
80.52941	1.0
92.02549	1.4
94.96331	0.3
98.64851	0.3
101.62105	0.3
106.03406	0.6
106.04104	7.9
107.04866	0.7
119.04900	10.0
121.02013	0.4
121.02829	5.5
133.06473	4.5
147.07962	0.4
161.09647	0.7
175.11168	1.4
177.09592	0.3
189.12755	0.6
203.14421	0.7
225.16048	0.3
235.19678	0.4
265.15643	0.5
301.25381	100.0
302.25729	5.7
305.84094	0.3
345.24374	73.1
346.24722	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	345.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81713	0.5
56.98735	0.5
59.01211	1.3
78.28171	0.6
80.52966	1.3
80.53416	1.4
106.04119	3.4
119.04889	11.4
121.02813	7.5
123.04335	1.4
133.06483	4.3
155.44391	0.7
175.11159	1.2
203.14304	0.8
217.15894	0.8
265.15378	0.9
278.10733	0.8
301.25372	100.0
302.25735	5.5
345.24362	63.6
346.24655	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	345.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74674	0.2
61.33055	0.2
64.46515	0.2
68.61838	0.2
69.49316	0.2
69.68015	0.2
70.58704	0.3
80.52939	0.8
80.53448	0.6
87.98059	0.2
88.87635	0.2
91.73336	0.2
92.02533	1.7
94.68014	0.2
95.01201	0.4
106.03416	0.5
106.04104	7.9
107.04863	0.7
108.01976	0.7
119.04892	12.1
120.05180	0.3
120.84579	0.2
121.02812	5.9
122.03129	0.4
126.69730	0.2
127.00097	0.2
133.06467	5.2
137.02312	0.3
147.08051	0.3
157.38263	0.2
161.09636	1.1
175.11163	1.4
189.12756	0.6
193.36630	0.3
203.14316	0.6
210.02289	0.2
235.19820	0.3
259.77374	0.3
265.15732	0.4
301.25372	100.0
301.39197	0.9
302.22250	0.3
302.25702	7.3
345.24368	77.4
346.24704	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	345.2435
Annotation	Ginkgoic acid
Peak:m/z	Relative Intensity
54.44586	0.2
56.54747	0.2
66.91261	0.2
70.58708	0.4
80.52966	0.4
80.53410	0.4
81.06762	0.2
82.91686	0.2
92.02530	2.8
95.01202	0.3
106.04101	11.3
107.04937	1.3
108.02016	0.9
109.02809	0.3
119.04891	18.8
120.05688	0.3
121.02818	11.2
129.99745	0.2
133.06464	7.3
134.06779	0.2
136.01457	0.2
137.02284	0.8
147.07971	0.5
161.09618	2.0
166.93161	0.2
175.11165	1.8
189.12849	1.1
203.14326	1.0
217.15961	0.3
245.19119	0.2
257.77274	0.2
288.00229	0.2
298.23401	0.2
299.23749	0.2
301.25366	100.0
302.25705	6.6
345.24365	55.6
346.24701	3.9
364.49475	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	345.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37896	0.4
56.80800	0.5
59.01230	0.5
65.30306	0.5
93.03310	1.7
108.02027	12.8
119.04919	1.0
121.02822	19.0
122.03638	6.2
123.04397	1.1
134.03619	0.9
135.04388	1.0
153.20027	0.4
204.20306	0.4
231.17479	1.0
286.99493	0.5
288.48035	0.4
301.25433	4.2
315.01648	0.7
330.03915	0.6
334.79645	0.5
344.27206	9.7
345.28003	100.0
346.28397	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	345.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59900	0.3
59.01235	0.6
66.08376	0.3
74.40685	0.6
84.02192	0.9
84.02624	0.5
85.06469	1.2
89.02888	0.4
92.02524	1.0
93.03333	0.4
106.04087	4.4
107.04905	1.0
108.03734	0.4
117.78786	0.3
119.04889	10.2
119.70432	0.4
121.02004	0.6
121.02821	6.4
122.03590	1.0
133.06453	2.5
161.09584	0.5
173.22292	0.4
175.11201	1.1
189.12773	0.6
203.14363	0.6
217.16055	0.8
219.13951	0.6
231.17532	6.3
233.15334	1.0
243.17784	0.5
245.19154	0.8
247.16989	1.2
247.20753	0.9
259.20679	38.9
260.21021	1.6
261.18591	0.4
275.20203	11.6
276.20679	0.5
287.23975	1.2
301.25397	7.9
315.01523	0.6
327.26956	49.4
328.27289	3.0
330.03912	0.6
343.26361	2.8
345.24481	4.8
345.28009	100.0
346.28329	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	345.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86481	0.6
57.90082	0.5
63.01849	0.6
69.53534	0.6
72.10484	0.6
81.03288	0.8
83.54607	0.6
89.47584	0.6
91.73348	1.2
106.04105	1.3
108.02036	5.4
112.89828	0.6
119.04890	1.7
121.02852	1.8
122.03613	13.1
135.04391	5.5
136.01546	2.2
136.46979	0.7
144.96710	0.6
151.14494	0.8
191.10757	0.6
216.62054	0.6
247.17105	0.9
259.20526	1.0
301.25400	8.1
317.48108	0.7
327.26987	2.6
345.24286	6.4
345.28018	100.0
346.28253	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	345.28
Annotation	5-(Heptadec-12-enyl)resorcinol
Peak:m/z	Relative Intensity
51.59900	0.3
59.01235	0.6
66.08376	0.3
74.40685	0.6
84.02192	0.9
84.02624	0.5
85.06469	1.2
89.02888	0.4
92.02524	1.0
93.03333	0.4
106.04087	4.4
107.04905	1.0
108.03734	0.4
117.78786	0.3
119.04889	10.2
119.70432	0.4
121.02004	0.6
121.02821	6.4
122.03590	1.0
133.06453	2.5
161.09584	0.5
173.22292	0.4
175.11201	1.1
189.12773	0.6
203.14363	0.6
217.16055	0.8
219.13951	0.6
231.17532	6.3
233.15334	1.0
243.17784	0.5
245.19154	0.8
247.16989	1.2
247.20753	0.9
259.20679	38.9
260.21021	1.6
261.18591	0.4
275.20203	11.6
276.20679	0.5
287.23975	1.2
301.25397	7.9
315.01523	0.6
327.26956	49.4
328.27289	3.0
330.03912	0.6
343.26361	2.8
345.24481	4.8
345.28009	100.0
346.28329	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	346.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98342	0.4
53.97979	0.4
55.96165	0.4
58.99984	0.9
59.01241	54.3
59.02361	0.9
60.01580	5.3
61.01661	1.4
61.97323	1.6
61.98693	100.0
61.99871	1.6
62.16194	0.4
67.54601	0.6
81.15858	0.4
92.72178	0.4
93.44080	0.4
125.51684	0.4
157.03496	1.0
158.03674	1.0
159.01422	0.8
159.03229	1.9
160.01581	0.9
161.01172	1.5
201.00629	0.6
201.02492	14.4
202.02650	28.9
203.02222	31.0
203.91953	0.6
203.99934	56.7
204.02596	8.8
205.00023	2.3
223.74461	0.5
307.78677	1.3
311.50293	0.5
346.03961	1.5
364.37744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.1
57.03311	1.9
57.85077	0.4
58.00473	0.4
59.00985	0.5
59.01242	3.4
59.85865	0.4
60.19839	0.5
61.35830	0.4
62.72926	0.3
65.03818	0.8
67.01743	0.5
68.99693	0.5
69.03310	0.8
71.01236	8.8
72.99155	0.7
73.02808	17.1
75.00713	0.5
78.95766	0.9
81.03306	2.2
83.01238	9.9
83.04881	5.4
85.02805	4.6
87.00729	6.1
88.98660	0.8
93.03315	39.5
96.99186	0.6
99.00740	12.0
99.04380	5.7
101.02322	1.6
109.02798	1.0
111.00758	3.1
111.04382	16.9
112.98672	6.0
113.02279	1.2
115.00238	7.3
121.02794	0.5
123.00763	0.7
124.98713	2.1
125.02272	0.6
127.00258	2.7
129.01813	3.5
129.05432	0.6
137.02322	12.7
140.98170	0.7
141.01906	0.6
142.99750	7.7
143.03375	3.1
143.51439	0.4
146.68564	0.4
151.00288	0.7
152.98219	1.3
154.94890	1.1
154.99754	80.2
155.03362	10.4
156.00092	2.2
160.05148	0.4
164.44810	0.5
167.03426	0.5
170.99246	1.8
172.95016	1.0
173.00829	100.0
173.04456	95.3
173.07518	1.4
173.09473	0.6
173.10933	0.7
174.01154	3.3
174.04797	2.0
175.02399	8.0
178.99800	1.1
191.05669	0.4
227.02124	0.7
229.03551	1.4
250.77788	0.5
260.35345	0.5
261.24564	0.4
347.02353	1.0
347.06296	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00969	0.5
59.01243	5.9
69.03297	0.4
70.51811	0.3
71.01237	3.2
72.01586	0.3
72.03329	0.7
72.03699	0.5
72.99165	0.7
73.02805	1.1
76.38214	0.6
76.60824	0.3
83.01255	0.5
83.04889	0.4
85.02798	1.1
89.02311	1.6
93.03317	1.0
95.01271	0.4
96.95911	0.4
99.00740	0.5
99.08033	1.6
99.42837	0.3
100.08354	0.7
101.02302	2.0
102.02606	0.3
107.04883	0.4
108.02036	0.6
109.02864	1.7
113.02306	1.2
115.02771	0.3
119.03349	0.9
120.99550	0.5
121.02837	0.7
123.04380	0.6
135.04408	1.2
137.02304	0.5
143.04903	0.3
143.06953	0.3
149.02330	0.8
151.00323	0.3
152.01004	0.6
153.01811	1.8
161.04453	0.9
162.03156	0.7
162.04648	0.5
167.03427	0.6
171.04390	0.6
173.04454	1.7
177.12738	0.3
178.13242	0.5
179.03465	1.8
180.04153	0.5
181.04999	0.4
186.03143	0.8
187.03908	1.3
188.04735	0.6
193.01279	1.5
199.03943	1.3
200.04723	0.9
209.04510	0.5
213.01814	0.8
214.02643	0.9
215.03450	4.5
216.04210	1.1
227.03506	2.0
228.04106	0.9
229.05069	0.5
242.02165	2.7
243.02974	39.8
244.03645	5.1
255.02928	1.9
256.03860	1.5
257.04584	1.5
258.05423	0.3
259.06046	0.6
270.01700	9.8
271.02502	29.2
272.03186	5.3
273.03992	1.3
284.03275	2.2
285.04053	8.3
285.07086	0.2
286.04456	0.4
287.05600	3.9
296.03406	0.4
297.03995	0.7
299.05719	2.2
301.03458	0.5
329.06793	0.5
329.11105	0.3
329.16064	0.4
332.05408	8.0
333.05698	0.5
346.15936	0.8
347.07745	100.0
348.08081	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	347.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.3
60.47094	0.2
71.01227	0.4
72.03322	0.4
72.03671	0.2
72.97932	0.2
83.88223	0.2
85.02816	0.2
86.89285	0.2
96.95834	0.3
101.02317	0.3
106.53555	0.5
108.02036	0.2
109.02834	0.3
116.26930	0.2
117.72225	0.2
137.02368	0.3
143.04913	0.2
153.01772	0.5
158.03612	0.3
171.04416	0.4
172.05148	0.2
184.05183	0.3
185.02382	0.3
186.03169	0.3
187.03923	1.2
188.04691	0.9
198.03204	0.4
199.03906	1.3
200.04721	1.2
201.01912	0.2
211.04045	0.4
212.04808	0.3
213.01831	0.9
213.05507	0.2
214.02679	0.9
215.03430	3.8
216.04297	1.1
226.02708	0.4
227.03419	2.7
228.04213	1.6
229.01353	0.4
229.04930	0.3
241.01364	0.6
241.04823	0.2
242.02176	3.2
243.02969	37.1
244.03641	5.6
255.02956	1.9
256.03760	3.1
257.04523	1.5
258.05286	0.4
259.06125	0.7
267.03146	0.3
268.03860	0.4
269.04828	0.2
270.01709	11.1
270.04721	0.4
271.02490	26.8
272.03183	6.3
273.03970	1.0
283.02548	0.3
284.03253	5.0
285.04050	9.3
286.04410	0.6
287.05621	3.5
295.02505	0.3
296.03336	0.9
297.04068	0.8
299.05615	5.3
301.03683	0.3
302.04364	0.3
311.05734	0.3
314.04349	0.7
315.05145	0.3
329.06677	0.6
332.05392	7.2
333.05695	0.6
346.90640	0.8
347.07739	100.0
348.08069	7.3
348.12387	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0774
Annotation	3,5,7,3',4',5'-Hexahydroxy-6,8-dimethylflavanone
Peak:m/z	Relative Intensity
55.04450	1.0
57.03316	11.2
59.01239	2.0
63.02259	3.8
65.00181	8.8
65.03191	0.6
80.26426	0.7
81.03305	1.3
83.01247	7.8
93.03297	1.0
95.01234	6.6
96.02026	3.8
96.95879	1.5
107.01252	7.6
108.01332	1.1
108.02037	14.4
109.02837	2.0
111.00733	2.8
123.00715	4.8
123.04405	5.4
124.01530	21.2
125.02316	100.0
126.02664	1.9
135.00717	0.8
135.04416	1.0
137.02339	3.2
139.00229	1.9
150.03058	1.4
151.00258	17.5
151.03928	1.1
152.01041	70.4
153.01682	3.5
161.02365	1.4
163.00262	2.2
165.01852	5.1
165.05312	0.8
166.02576	0.8
167.03403	45.0
168.03766	1.0
169.01363	1.3
172.91866	0.7
173.04517	1.2
178.02644	1.8
178.99773	14.5
179.03354	1.8
180.00523	2.4
180.04175	2.1
187.04002	1.4
189.01926	1.6
201.05553	1.0
203.03416	2.4
205.04999	1.1
207.02954	7.1
213.05554	0.8
214.03102	0.7
217.05080	1.3
222.05302	5.3
227.03500	1.4
229.05049	2.3
231.03011	2.5
233.07939	0.8
237.07634	7.3
243.02914	1.2
244.07402	1.2
245.04498	2.9
246.05249	2.1
255.02977	1.0
259.09668	1.2
259.95270	0.7
260.06790	1.2
261.07706	7.4
271.02429	1.0
273.04053	2.3
275.09219	1.6
279.08685	1.6
285.04114	0.8
288.06567	3.9
289.03516	1.0
289.06650	0.7
299.01962	1.3
303.08783	11.4
304.05908	4.0
304.08997	1.2
314.04697	1.0
317.09326	1.2
319.08234	79.4
320.08636	4.4
329.06723	1.8
347.07721	65.1
347.10986	2.7
348.07974	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	347.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34668	0.3
55.01740	0.6
57.03316	0.9
58.00430	0.4
58.16700	0.3
59.01227	1.1
64.64073	0.3
65.01217	0.3
65.03822	0.6
69.03300	1.1
71.01241	2.9
72.99146	0.6
73.02804	18.3
75.00748	0.3
78.95781	0.4
81.03293	2.2
83.01234	0.9
83.04881	6.6
85.02807	2.9
87.00729	0.5
92.92315	0.4
93.03313	39.5
93.05706	0.5
94.03632	0.8
99.00732	7.4
99.04372	5.5
100.47527	0.4
101.02292	0.8
109.02834	0.5
111.00758	0.6
111.04375	18.0
112.98669	4.3
113.02321	0.4
115.00231	0.9
129.01797	2.4
129.05450	0.8
133.45107	0.4
137.02322	15.4
142.99742	5.8
143.03363	3.7
145.01344	0.4
151.96519	0.3
154.98630	0.4
154.99773	4.4
155.03386	10.7
162.00853	0.4
165.33487	0.4
173.00917	8.4
173.04456	100.0
173.10696	1.0
174.04787	2.3
175.02396	0.8
191.05487	1.0
236.22556	0.4
252.48463	0.4
287.02631	1.1
340.53787	0.4
369.95538	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	4.4
57.97426	0.6
58.00465	0.4
58.03943	0.6
59.01234	2.4
59.12322	0.4
65.68664	0.4
67.02864	0.4
67.86450	0.4
69.03322	0.4
70.57070	0.6
71.01242	1.4
71.60939	0.5
72.99165	0.8
73.02805	8.2
75.13082	0.4
78.95786	0.6
81.03307	2.9
81.04437	2.4
83.01240	11.0
83.04874	2.5
85.02812	2.0
86.02338	0.7
87.00734	2.1
88.03896	0.9
89.02293	0.7
93.03316	18.1
96.00776	0.5
96.95901	0.8
97.02847	0.7
98.95471	2.4
99.00741	3.4
99.04408	2.4
101.02287	1.1
102.08347	0.5
109.01539	0.9
109.02819	0.7
109.03938	1.0
110.02344	27.4
111.00002	0.6
111.00745	9.7
111.02717	0.5
111.04379	8.0
112.03913	2.2
112.08677	5.5
112.98674	1.1
115.00217	0.9
125.02316	100.0
125.05907	1.2
126.02644	2.7
127.05051	0.9
129.01807	1.2
131.08138	3.5
137.02319	5.6
138.02679	0.5
139.03899	1.2
139.88509	0.5
142.99721	1.5
143.03383	1.3
149.02347	4.2
152.99518	0.6
155.03381	4.9
157.09697	6.1
161.04489	1.4
163.08672	3.9
167.03496	0.7
173.00816	1.7
173.04466	47.0
173.10393	1.7
174.04800	1.1
181.09712	15.4
182.97711	0.6
183.94055	0.5
191.01871	0.8
191.05420	1.3
199.11960	1.2
201.99577	0.5
206.09344	2.0
223.11971	22.9
224.12395	0.6
243.10980	2.3
251.29094	0.5
259.05704	0.5
260.14688	0.5
267.11005	33.9
268.11331	1.8
271.68454	0.5
275.27704	0.6
285.03918	0.8
287.07761	3.6
301.09610	0.6
302.25879	0.7
303.26895	0.7
311.09937	2.7
329.11057	4.4
330.09506	0.7
338.42261	0.6
347.04630	3.8
347.11896	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08925	0.3
53.57324	0.3
55.01741	0.5
57.03297	0.7
57.07756	0.3
58.00453	0.3
59.01236	0.9
59.12503	0.3
64.52351	0.3
64.64076	0.3
65.03815	0.6
69.03312	0.9
71.01238	3.2
73.02803	17.0
73.04524	0.4
73.45828	0.3
75.84654	0.3
78.95758	0.3
79.10697	0.3
81.03317	2.2
81.10788	0.3
82.06763	0.3
83.01232	0.8
83.04882	5.5
84.84834	0.3
85.02803	3.1
87.00745	0.5
91.73302	0.4
93.01029	0.6
93.03313	39.6
94.03659	0.8
99.00731	7.1
99.04374	4.6
101.02299	0.7
103.84291	0.3
111.04378	17.6
112.98677	3.2
115.00217	1.3
124.98650	0.4
129.01793	1.9
129.05450	0.6
133.01295	1.0
135.02798	0.5
137.02321	13.5
138.02652	0.4
142.99751	3.5
143.03369	3.4
154.99791	2.1
155.03381	9.6
160.74428	0.4
173.00996	5.3
173.04457	100.0
174.04829	2.5
175.02362	1.1
191.05525	0.4
241.79095	0.4
254.37248	0.4
287.02667	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1136
Annotation	CHEBI:67555
Peak:m/z	Relative Intensity
59.01246	5.2
60.44587	0.5
61.03689	0.5
71.01228	2.0
73.02797	1.9
83.04863	2.1
84.05206	0.9
85.02783	1.2
89.02299	2.0
93.03329	2.6
96.95879	1.0
101.02297	2.2
102.71014	0.6
105.50378	0.6
108.02010	2.5
109.02823	4.2
111.04348	0.7
113.02327	0.5
121.02812	7.3
122.03601	17.3
123.00714	1.2
123.04404	5.3
124.01504	2.9
125.02322	1.1
128.04152	0.6
130.57985	0.5
134.03607	9.4
135.04408	7.0
136.01537	7.8
136.05122	1.6
137.02335	5.6
139.03947	0.5
142.56050	0.5
145.02849	1.0
149.02345	1.1
149.05971	1.7
150.03125	0.7
151.03914	2.9
151.29451	0.6
152.01056	1.8
153.01819	3.1
161.04436	1.1
162.03194	0.8
165.01819	3.2
165.05554	0.8
166.02605	8.9
167.03343	1.8
168.04143	0.7
173.04486	2.1
178.02629	17.9
179.03409	20.8
180.04137	2.6
181.01358	5.9
193.04999	9.2
195.02954	4.6
196.03674	3.8
196.76469	0.6
198.01616	10.0
209.04504	1.9
212.03230	3.3
226.06380	0.6
228.02748	6.2
237.05571	1.2
238.06223	0.7
240.67896	0.6
241.08670	0.7
242.06137	1.1
254.05896	0.9
255.06645	7.4
257.08167	0.8
258.09094	1.9
269.08255	0.9
270.08978	4.2
273.11279	2.5
285.07797	1.1
285.11261	1.3
286.04938	1.4
298.04739	0.6
299.05719	1.4
301.07214	1.7
302.08014	1.3
302.16995	1.3
303.12433	0.8
303.17380	0.9
314.08032	2.5
315.08618	0.8
317.10239	7.8
318.10709	0.9
322.27747	0.6
329.10327	8.7
330.10867	0.8
332.09021	2.2
347.11383	100.0
347.16312	3.0
348.11725	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	347.1136
Annotation	Syringopicrogenin B
Peak:m/z	Relative Intensity
57.03305	0.8
59.01240	16.2
61.00106	0.9
71.01241	10.4
71.06767	0.9
72.99169	1.3
73.02811	5.5
83.01238	3.1
85.02810	5.7
85.99981	1.0
89.02306	4.5
93.03313	3.4
96.95845	1.7
99.00751	2.4
101.02294	13.8
108.02069	1.3
109.02823	11.1
111.04382	1.3
113.02308	3.8
119.03360	1.7
121.02816	6.9
122.03606	26.3
123.04421	9.3
124.01531	4.6
134.03600	7.7
135.04399	7.2
136.01535	10.6
136.05078	1.0
137.02327	6.6
151.03882	3.0
153.01855	8.8
159.02914	1.3
161.04485	3.0
165.01849	3.1
166.02623	11.7
167.03471	1.3
167.07085	1.9
167.10664	1.5
173.04520	5.1
178.02654	14.8
179.03403	19.9
180.04135	1.7
181.01413	5.1
185.11732	1.6
193.05017	6.4
195.02911	4.2
196.03639	1.9
198.01622	13.5
209.04599	2.0
212.03226	2.3
228.02673	6.3
236.21083	1.2
242.05936	2.2
254.05846	1.5
255.06718	7.3
258.08963	2.4
259.06351	1.9
259.09796	5.4
267.17654	1.4
270.08984	4.3
273.11319	1.6
285.07617	2.6
299.05646	1.4
301.07129	1.9
303.08737	7.7
303.12018	1.7
303.18210	3.7
314.08044	2.9
315.08603	1.3
317.10379	8.7
327.79099	1.2
329.10345	9.0
330.10669	1.8
332.08817	1.3
347.11368	100.0
347.17111	42.1
348.11777	6.6
348.17419	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	347.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28362	0.1
52.43470	0.1
56.64445	0.1
57.24035	0.1
73.44993	0.1
78.46288	0.1
80.02525	0.4
81.03317	0.3
82.75582	0.1
90.00357	0.1
94.60458	0.1
107.01260	0.2
108.02028	28.0
108.04977	0.4
109.02338	0.6
123.04385	12.4
123.07935	0.2
124.04722	0.3
125.02309	0.2
141.56018	0.1
143.03381	0.1
143.56334	0.1
151.00298	0.2
151.95395	0.4
152.01036	64.1
152.05841	0.8
153.01369	1.5
166.02550	0.8
167.03395	100.0
167.08911	1.2
168.03725	2.8
173.04424	0.2
181.04953	1.6
253.53781	0.1
274.27310	0.1
302.25418	0.1
329.17432	0.1
347.11371	1.1
360.69110	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	347.1712
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
50.03072	0.7
57.73617	0.8
58.24684	1.1
58.99944	0.8
59.01242	57.8
59.02390	1.2
61.48062	0.7
69.03326	0.9
71.01238	25.5
72.99171	5.0
73.02804	8.1
78.91773	0.8
79.87440	0.7
80.39827	0.8
83.01231	1.7
83.04872	2.3
85.02802	6.3
89.02298	25.7
91.76319	0.9
93.03316	17.3
95.01229	2.1
99.00739	2.4
99.04382	2.2
99.08028	2.0
101.02300	18.0
102.89800	0.8
104.16393	1.0
111.04382	6.1
113.02301	10.9
119.03366	12.6
125.02332	0.9
131.03297	1.1
137.02324	6.1
139.10219	0.8
139.11147	5.8
143.03380	1.7
144.47856	0.9
155.03381	4.1
161.04468	1.1
167.10681	95.0
168.10989	3.2
170.84761	1.0
173.04463	37.8
179.05495	2.2
185.11758	24.8
186.12120	1.3
230.26326	0.9
302.25717	1.7
303.26389	1.5
335.84302	0.9
336.21719	1.0
346.24582	2.0
347.17117	100.0
348.17606	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	347.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49308	0.3
56.99606	0.3
57.03321	0.4
58.00458	0.4
59.00010	1.6
59.01242	100.0
59.02308	1.1
60.01585	0.6
61.98689	0.4
63.03486	0.3
65.03819	0.4
66.02262	0.2
66.69335	0.3
67.01743	0.4
69.03316	0.4
69.04133	0.3
70.46516	0.2
71.01248	1.4
71.63182	0.3
73.02803	6.3
78.95740	0.3
81.03316	0.7
81.97250	0.3
83.04874	2.5
85.02817	1.3
89.02308	0.4
91.40582	0.3
93.03316	17.0
94.03664	0.5
99.00738	2.4
99.04379	2.8
101.02325	1.0
109.02817	0.4
111.04374	6.5
113.02348	0.4
115.03901	0.8
119.04903	0.5
121.02800	0.4
125.02306	0.6
129.01804	1.1
137.02328	5.6
143.03386	1.3
144.19420	0.4
155.03409	3.9
161.04419	0.4
172.98407	0.5
173.04460	38.5
174.04906	0.9
175.14830	0.5
191.14517	0.4
194.74689	0.4
215.55977	0.3
225.62054	0.3
237.14891	2.7
255.16042	1.7
301.25424	0.5
302.25812	1.0
303.26376	2.6
315.19794	1.5
340.94846	1.0
347.14941	0.3
347.21899	0.6
347.25827	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	347.2228
Annotation	CHEBI:68864
Peak:m/z	Relative Intensity
57.03358	0.2
59.01243	1.7
65.03850	0.8
66.68764	0.3
71.01273	0.5
71.04255	0.2
73.02795	2.2
73.24565	0.3
75.87657	0.2
76.45784	0.2
79.05413	0.6
81.02649	1.0
82.00481	0.3
83.04913	1.1
92.02537	1.6
93.03320	6.0
93.22515	0.3
95.01237	0.6
99.00758	0.8
99.04368	0.6
100.05533	0.2
106.04111	4.2
107.02030	0.5
107.04892	20.1
108.02077	0.8
109.02840	0.5
111.04382	2.3
119.04893	20.7
119.08783	0.3
120.05173	0.6
121.02816	6.6
121.03609	0.4
122.03172	0.3
129.01878	0.4
133.06473	0.5
137.02333	2.5
140.84673	0.3
143.03444	0.5
155.03403	1.3
173.04466	11.5
174.04872	0.3
181.15886	2.7
188.49846	0.3
192.38675	0.3
220.34729	0.3
269.49530	0.3
273.22284	1.5
275.84219	0.3
285.22266	1.8
301.21747	20.1
301.24945	0.7
302.22061	1.7
302.25742	1.7
303.23306	76.6
303.26361	4.3
304.23645	6.3
346.24704	1.1
347.05222	0.9
347.22272	100.0
348.22623	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	347.223
Annotation	CHEBI:68864
Peak:m/z	Relative Intensity
50.88581	0.3
54.67424	0.3
57.03277	1.4
59.01245	2.7
64.25562	0.3
64.71633	0.3
65.69520	0.4
69.03261	0.4
71.04828	0.5
73.02764	1.7
81.02611	1.0
81.03099	1.0
83.04863	0.5
92.02534	0.5
93.03316	3.5
97.42387	0.4
99.00704	0.5
99.04340	0.4
106.04112	3.0
107.04895	3.0
111.04333	1.4
117.98833	0.3
119.04124	0.6
119.04888	7.7
121.02821	4.5
121.05597	0.5
121.06463	9.7
133.06430	1.7
137.02345	1.9
147.07964	1.1
149.09586	0.4
169.15898	1.9
173.04465	7.8
175.07549	0.9
181.15833	0.5
191.10712	1.5
191.54616	0.5
203.10736	0.5
223.07573	0.4
226.18651	0.5
251.20107	0.7
285.22345	1.6
303.23309	100.0
304.23657	4.6
304.71658	0.4
347.22305	74.7
348.22601	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2229
Annotation	CHEBI:68864
Peak:m/z	Relative Intensity
57.03321	0.8
59.01245	3.3
61.02890	0.5
65.03814	2.7
73.02805	1.7
79.01754	0.6
79.05389	0.9
81.02669	0.6
81.03325	1.4
81.46385	0.4
83.04895	0.9
91.73349	0.9
93.03316	11.7
95.04900	1.0
107.04891	53.5
108.02049	0.7
108.05251	0.9
109.02803	0.9
111.04368	2.8
111.79694	0.6
119.04903	4.8
121.02837	6.6
137.02370	1.4
143.04965	0.7
151.03873	0.5
155.03375	0.7
161.05974	4.7
173.04466	9.6
183.17468	3.0
198.11720	0.5
281.74564	0.5
285.22256	8.8
293.12497	0.6
303.23300	24.1
303.26791	1.2
304.23969	0.9
347.22308	100.0
348.22604	4.6
363.37512	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2591
Annotation	6-pentadecyl Salicylic Acid
Peak:m/z	Relative Intensity
62.86208	0.2
71.08660	0.4
72.33563	0.1
81.03530	0.4
81.03966	0.3
82.00417	0.2
92.02526	2.4
93.03329	0.2
95.01176	0.2
100.20447	0.1
106.04101	13.0
106.07007	0.2
107.04934	1.1
108.01997	0.6
119.04890	3.2
120.02018	0.2
121.02817	9.8
133.06462	0.9
137.02303	0.8
144.32483	0.2
173.04463	0.2
175.11156	0.4
189.12730	0.3
203.14368	0.3
217.15947	0.2
303.26929	100.0
304.27258	7.6
304.41257	0.2
347.25922	61.8
348.26263	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	347.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27669	0.4
50.84575	0.3
63.84839	0.5
70.56700	0.5
79.24717	0.4
81.03511	1.1
81.04008	0.8
92.02490	1.7
93.03274	0.5
96.96770	0.4
102.60715	0.4
106.03421	0.6
106.04103	8.1
107.04852	0.9
108.02011	0.6
111.40769	0.4
114.83051	0.4
119.04887	2.9
121.02825	11.4
127.19669	0.5
133.06447	0.8
137.02278	0.6
139.29106	0.4
173.04453	0.6
196.78827	0.6
230.30617	0.4
265.14792	0.8
267.12915	0.9
303.26944	100.0
304.27286	6.6
347.25940	58.6
348.26221	4.6
353.73108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65831	0.3
59.60053	0.3
71.08670	0.5
81.03519	0.9
81.04015	0.8
92.02540	1.8
93.03287	0.5
96.95853	0.4
106.04104	7.5
107.04872	1.0
108.01991	1.2
114.34885	0.3
119.04239	0.3
119.04902	3.9
121.02826	11.8
123.20204	0.3
130.56685	0.4
133.06430	1.0
137.02292	0.6
161.09464	0.4
173.04427	1.0
221.34474	0.3
242.43460	0.3
265.14816	0.5
267.13007	0.6
290.13171	0.4
303.26941	100.0
304.27347	6.0
347.25934	53.2
348.26270	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	349.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52920	0.5
59.01233	5.1
67.01733	0.8
68.47789	0.6
68.99678	0.9
69.03304	0.7
71.01231	1.0
71.95203	0.6
72.99163	1.3
73.02818	0.8
78.30679	0.7
78.61927	0.6
78.96361	1.2
81.03320	1.7
85.02873	0.8
87.00735	4.4
95.01279	0.7
97.02806	1.2
99.00739	0.7
99.08025	1.5
105.06997	0.8
107.04874	1.4
109.02802	1.2
113.02279	0.9
118.20952	0.7
118.22063	0.6
119.04857	1.5
121.06452	1.0
121.10105	1.4
122.03594	0.8
123.00755	0.8
123.04417	0.7
125.02299	3.4
125.09590	2.3
127.44231	0.7
130.04085	0.9
131.04869	0.9
132.49696	0.7
132.70020	0.7
135.04393	1.0
137.02336	0.7
137.05902	0.8
137.09621	1.4
139.03886	2.6
139.05556	0.7
139.11157	0.8
141.06984	3.7
143.04901	1.9
145.02823	4.4
146.03656	1.7
147.04388	4.8
149.02344	0.7
149.05980	11.7
149.09569	0.7
151.11224	1.1
156.05687	0.8
157.06465	3.7
158.03601	1.2
158.07262	4.7
159.04422	1.4
159.08044	2.1
160.01582	6.8
161.05920	1.3
162.03154	0.8
162.06734	1.0
166.02580	2.0
167.04945	2.5
169.06424	1.3
171.04431	10.0
172.05217	3.7
173.05972	2.0
174.03148	4.3
174.06749	1.8
175.03915	3.5
175.07538	1.0
175.35022	0.8
177.05490	1.5
184.05234	1.0
185.06012	9.2
186.06787	12.5
187.03891	0.8
187.07199	1.1
187.14847	1.1
189.05379	1.3
190.72926	0.8
191.10536	0.9
197.13310	3.3
199.07607	1.2
199.11185	0.9
201.05511	2.4
202.06274	2.2
203.07037	1.6
203.10710	1.3
203.14398	1.9
204.07869	1.4
204.11438	5.2
205.12219	1.0
205.15945	4.0
207.10265	1.5
213.12787	1.7
214.09988	3.0
215.03542	0.9
215.14375	22.0
216.14763	1.1
217.12289	1.4
217.15984	3.3
218.02167	1.3
223.09724	19.9
225.12852	5.0
229.05109	1.0
230.05745	5.0
231.10243	8.6
231.13806	4.4
232.10999	2.0
233.15443	13.9
234.15834	0.8
241.12296	1.4
243.13895	32.4
244.14218	2.3
247.09746	1.4
259.13354	6.4
261.14954	10.5
277.14447	2.3
287.12912	100.0
288.13165	7.2
303.12375	1.3
305.13971	25.0
305.17587	1.2
306.14349	1.7
331.11813	7.4
349.12943	56.6
350.13272	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	349.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27658	0.4
52.68345	0.4
53.81768	0.4
55.01749	1.1
57.03303	0.8
59.01241	22.5
59.42765	0.4
60.39196	0.4
65.44695	0.5
69.03300	0.6
71.01237	14.5
72.01579	0.7
72.99160	1.0
73.02803	6.2
77.72314	0.4
79.73914	0.4
83.01233	4.2
83.40851	0.6
85.02803	7.6
85.99966	1.2
87.00723	1.1
89.02296	6.9
91.73333	1.1
93.03289	0.6
95.01237	1.3
96.95876	0.4
99.00738	1.8
99.04373	0.9
101.01643	1.1
101.02298	15.8
108.02051	0.6
109.02816	2.2
109.96114	0.5
113.02299	6.3
119.03354	3.4
125.09473	0.5
139.07526	1.1
151.00287	0.9
151.03891	1.0
152.00998	0.7
153.01804	2.1
157.08611	3.8
159.02950	0.7
161.04420	0.9
164.67215	0.5
169.08537	2.3
169.58788	0.5
170.16809	0.7
187.09598	0.6
193.67152	0.5
218.56578	0.5
301.12930	1.1
313.12823	0.7
319.13968	19.0
320.14389	1.3
331.13962	9.8
332.14359	0.6
349.15045	100.0
350.15356	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	349.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.8
57.03321	3.6
58.00454	1.5
58.99992	1.7
59.01241	100.0
59.02309	1.5
60.01569	0.5
60.50165	0.6
66.07032	0.4
69.03303	0.5
70.99606	1.5
71.01238	90.7
71.02658	1.4
71.04874	1.9
72.01567	0.7
72.99168	3.2
73.02805	18.3
73.89041	0.5
75.00732	1.4
75.76939	0.4
81.03314	1.5
83.01238	9.1
84.02010	0.6
85.02805	32.0
87.00724	3.4
89.00041	0.8
89.02296	67.5
90.02637	0.8
95.01241	5.6
97.02808	1.7
99.00735	5.9
100.99562	1.0
101.02302	67.5
102.02656	0.8
108.02045	1.4
109.02812	12.7
113.02305	40.7
114.02657	1.1
115.03880	0.5
119.03366	28.7
125.02337	2.6
129.01802	0.9
131.03358	3.5
136.02750	0.6
143.03378	7.5
149.04414	2.8
151.00256	4.5
152.01065	3.9
153.01819	15.9
157.12251	1.6
159.02904	6.6
161.04449	43.0
162.04817	1.0
162.21811	0.5
170.15668	0.5
179.05515	14.2
187.13309	9.3
235.56882	0.7
301.07153	0.5
306.44901	0.6
307.64444	0.5
349.18683	65.3
350.19031	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12342	0.2
58.99940	1.5
59.01240	100.0
59.02417	1.9
60.01582	0.9
66.99709	0.2
71.01238	2.4
73.02808	0.4
81.28091	0.2
83.01224	0.2
85.02816	0.8
89.02296	3.2
94.03146	0.2
101.02303	1.9
113.02307	1.2
119.03371	2.1
143.03438	0.3
150.86777	0.3
161.04449	0.4
170.18613	0.2
179.05571	0.4
242.01527	0.2
373.55823	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	349.1869
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
53.24933	0.3
54.92345	0.3
55.01751	0.8
57.03315	1.6
58.81442	0.3
59.00115	1.6
59.01242	100.0
59.02535	1.2
60.01579	0.7
61.98693	1.5
63.82980	0.4
69.03328	0.4
71.01239	21.6
72.99179	0.8
73.02808	8.4
75.00727	0.8
81.03317	0.5
83.01243	5.6
85.02802	12.3
87.00734	1.6
89.02299	3.9
95.01265	1.8
96.86535	0.4
97.02820	1.0
99.00742	3.3
101.02300	20.2
111.00747	1.2
111.04390	1.0
113.02310	8.3
117.58871	0.5
119.03396	1.0
125.02331	1.2
129.01822	0.6
132.64339	0.4
137.02318	0.7
141.12764	1.2
143.03406	0.8
143.10670	0.9
145.12227	0.8
159.02879	1.5
161.04443	10.5
169.12268	1.4
170.15665	1.4
173.04504	1.0
187.13313	25.6
188.13721	0.8
205.79982	0.4
215.14468	0.4
289.16644	0.6
297.86221	0.4
306.98148	0.5
307.17639	12.6
308.17758	0.8
331.17612	2.1
349.18677	84.2
350.19104	5.7
350.40353	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96963	1.4
53.75747	1.3
53.76022	1.3
55.01764	2.3
55.31978	1.3
55.95889	1.5
57.03322	4.4
58.00469	2.3
59.01241	100.0
59.02451	1.6
60.04499	1.3
69.72658	1.4
71.01238	86.5
72.99165	3.2
73.02799	21.5
73.03136	1.6
83.01228	12.9
85.02808	35.1
85.03304	2.8
87.00759	5.5
89.02292	60.3
93.06973	3.0
95.01276	5.8
96.95892	9.2
99.00755	9.8
101.02304	74.4
101.02939	3.9
102.02704	1.6
109.02835	3.0
113.02309	43.1
119.03349	27.9
125.02353	3.8
131.03383	3.2
137.02321	2.2
143.03416	6.1
146.68767	1.5
149.04482	2.2
159.02924	7.2
159.25606	1.9
161.04462	38.3
179.05577	6.4
187.13318	9.6
224.91248	1.9
277.01471	3.4
305.01001	7.7
348.99948	3.6
349.05862	8.4
349.14697	2.2
349.18689	48.5
350.18832	3.2
365.99963	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	349.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27505	0.6
57.03126	0.2
57.03318	2.7
58.00462	7.7
59.01250	2.6
62.02565	0.3
63.45469	0.3
66.83502	0.3
69.03299	0.6
71.01223	0.5
71.04867	0.7
73.02808	8.2
78.44158	0.3
79.05351	0.4
83.04874	0.9
84.02032	0.4
85.00330	0.6
85.00774	0.4
85.02795	1.3
92.75132	0.4
93.03401	0.5
95.04919	0.4
107.97289	0.4
109.06461	0.6
121.06470	3.9
123.08002	0.4
133.06450	0.5
133.52843	0.3
137.09483	0.5
139.07530	20.5
140.07892	0.7
157.12422	0.4
165.26070	0.3
175.11018	0.4
203.14384	0.4
213.16457	0.4
219.13924	0.8
231.17511	0.4
235.14922	1.0
241.16035	0.8
246.08348	0.3
251.18030	5.1
255.17595	2.1
257.15543	1.1
257.19174	1.2
259.20535	0.9
265.16107	0.4
267.17480	1.6
269.04660	0.7
269.19070	2.7
271.16998	1.2
273.18674	2.3
277.69852	0.4
283.17117	0.7
285.18600	3.0
286.15701	1.0
287.20163	2.3
295.16931	0.6
301.18076	3.2
303.19702	1.5
313.18158	1.0
331.19174	21.8
332.19635	2.2
349.03656	1.0
349.20227	100.0
350.20587	7.6
368.70364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56525	0.4
56.02325	0.5
57.03324	2.8
59.01242	7.0
69.03304	1.1
70.04914	0.5
71.01233	1.0
73.02795	1.1
81.03283	0.9
83.04875	2.9
85.00312	1.0
85.02795	0.7
93.03313	1.1
97.06439	1.3
105.06977	0.8
109.06421	0.7
111.08019	0.9
113.02325	0.8
121.06453	1.9
125.15253	0.8
139.07530	2.5
149.09584	0.7
161.09692	0.7
167.61911	0.6
170.52138	0.6
175.04993	0.7
183.11697	0.9
189.12740	0.7
201.12773	0.7
201.71820	0.6
215.14200	0.8
219.13847	1.5
220.41667	0.5
230.09470	2.0
239.18091	1.6
241.15886	0.8
251.17934	0.9
255.17552	5.9
256.17825	1.1
257.15378	0.8
257.19128	5.9
267.17563	1.8
269.19122	2.5
281.46286	0.6
283.16959	2.6
284.03296	1.0
285.18610	2.4
287.12897	1.3
287.20264	1.9
301.18054	3.8
307.17468	0.7
308.78177	0.7
331.19156	31.9
332.19485	2.6
349.02774	1.3
349.13065	3.1
349.20221	100.0
350.20575	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	349.2022
Annotation	19(R)-hydroxy-PGA2
Peak:m/z	Relative Intensity
50.66167	0.4
50.74793	0.4
52.27502	0.6
57.03317	2.3
58.00457	7.4
58.62257	0.4
59.01241	2.4
60.90364	0.4
63.22094	0.4
68.13641	0.4
69.03327	0.7
71.01238	0.6
71.04881	0.7
73.02798	8.1
73.27934	0.4
83.04878	1.0
85.00329	0.5
85.00774	0.5
85.02802	1.1
86.38562	0.4
92.07117	0.5
93.03299	0.6
95.04881	0.6
109.06461	0.5
111.08018	0.5
115.46133	0.4
121.06479	3.2
121.17023	0.4
122.03679	0.4
135.55672	0.5
137.05965	0.5
139.07527	20.2
139.08626	1.0
140.07927	0.5
149.60312	0.5
151.07593	0.6
177.60027	0.4
182.92783	0.5
189.12679	0.6
192.41678	0.5
193.01573	0.4
215.14383	0.5
219.13835	0.8
227.14406	0.5
235.14886	1.1
236.31551	0.5
251.18057	3.7
255.17546	2.0
257.15332	0.6
257.19171	1.5
267.17712	1.0
269.15723	0.5
269.19086	2.8
271.16974	0.6
273.18637	2.2
275.20184	0.5
285.18573	3.5
287.20108	3.9
301.18021	2.8
303.19742	2.1
313.18143	0.8
314.56171	0.6
331.19159	22.8
332.19629	2.2
335.20810	0.5
337.64508	0.6
349.20224	100.0
350.20569	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	349.2022
Annotation	Pedunculatic acid
Peak:m/z	Relative Intensity
51.70571	0.4
57.03325	0.5
59.01242	24.6
61.98691	1.8
65.03814	1.1
68.75758	0.6
71.01236	1.1
71.04881	1.5
73.02804	0.9
73.33629	0.5
79.05378	0.8
83.04881	1.1
85.02815	0.7
93.03320	6.1
95.04883	0.5
97.02808	0.5
101.02293	0.5
106.04133	0.7
107.02099	0.6
107.04890	41.5
107.07997	0.6
108.02068	0.5
108.05218	1.1
109.02792	0.6
111.04388	2.1
119.04889	7.7
121.02807	4.8
127.88799	0.4
127.99052	0.5
137.02272	0.9
143.04926	1.1
155.03377	0.7
161.05965	2.1
170.15231	0.8
174.05005	0.5
176.55655	0.5
183.13872	2.2
185.15443	2.9
191.05412	0.9
205.12357	1.2
219.13858	1.1
220.14229	0.7
221.11771	0.6
257.19086	0.9
264.13168	1.0
275.20175	1.3
285.18610	8.7
287.20206	4.7
289.02493	0.8
303.19699	1.1
305.21237	29.7
306.21619	2.7
349.20227	100.0
350.20563	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2385
Annotation	13,14-dihydroxy-11-mulinen-20-oic acid
Peak:m/z	Relative Intensity
52.87351	0.2
53.71040	0.1
57.14645	0.2
59.01243	1.9
59.35495	0.2
59.66348	0.2
60.09313	0.2
81.25301	0.3
81.53171	0.6
81.53686	0.4
81.81483	0.3
87.00126	0.3
87.62077	0.3
92.02528	1.3
92.38093	0.2
93.72247	0.3
103.18251	0.2
106.04109	5.3
106.66062	0.2
107.04872	0.7
108.02013	0.5
119.04892	2.7
121.02817	6.0
121.24139	0.3
133.06458	0.4
170.88242	0.2
175.11214	0.3
189.12836	0.4
203.14346	0.3
273.22256	0.7
275.23834	7.4
276.24091	0.3
280.35480	0.3
285.22388	0.4
287.23776	4.1
301.21774	1.2
303.23300	44.6
304.23648	2.9
305.24869	88.9
306.25208	7.1
349.23859	100.0
350.24176	8.7
350.28464	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68082	2.3
59.01243	36.0
59.01507	3.0
60.01599	3.6
61.98703	3.9
63.92562	2.5
65.29897	2.3
71.04884	3.5
72.99192	9.9
73.02818	5.1
83.01262	3.0
91.72763	4.8
93.03400	2.9
95.04917	3.2
99.04405	3.6
100.40118	2.8
113.02357	11.2
115.92373	2.8
123.08028	4.7
125.02325	7.0
149.06021	8.2
157.05022	5.5
158.86728	3.0
159.04398	13.9
177.05571	4.2
177.12807	8.5
179.10698	3.4
179.14374	7.0
189.12904	4.0
192.95863	6.2
203.03508	6.9
205.16006	3.7
207.09993	3.1
207.13907	4.2
216.11647	9.9
217.15974	11.8
233.11865	6.6
233.15474	5.2
235.17137	12.6
245.15523	23.3
257.60410	3.1
260.10699	11.1
261.15042	3.3
263.16666	6.7
271.13510	5.9
277.14529	4.3
279.16046	7.5
289.14554	6.1
305.14331	3.4
307.15707	12.6
333.13501	25.2
351.14520	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00189	3.6
57.03302	0.3
59.01235	1.3
62.55526	0.3
67.01725	0.4
68.99667	2.3
71.01238	14.3
72.99155	1.8
73.02821	0.3
75.04207	0.3
79.50365	0.4
80.99680	6.4
84.99175	1.4
85.02794	0.5
87.00715	0.9
93.03319	1.2
96.99174	2.0
97.56195	0.3
98.97825	0.8
99.00736	100.0
99.03315	1.4
100.01089	1.6
109.99940	1.3
111.00744	1.5
112.98666	7.9
115.00240	12.9
117.03306	1.0
119.04893	20.5
120.05220	0.4
120.26585	0.3
124.98684	7.6
130.04060	0.6
131.04881	1.0
133.02785	0.4
139.00249	1.7
142.99767	5.2
143.04912	1.6
145.02820	1.1
145.06439	2.4
147.04390	2.2
156.05717	0.9
157.06494	1.6
159.04416	0.8
161.06004	0.8
163.03902	16.5
168.97772	0.4
171.04402	3.2
172.05170	0.6
173.05997	5.8
175.03941	1.7
177.05499	1.6
186.98753	3.6
187.03893	0.4
189.05539	1.5
199.03822	0.5
201.05501	5.1
204.99844	0.8
217.04993	6.2
219.06621	0.5
245.04521	5.8
261.04044	10.2
289.03497	4.0
351.03552	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00183	0.3
56.33847	0.1
56.99681	0.1
59.01236	0.7
61.98694	11.1
61.99979	0.2
63.38189	0.1
68.99672	0.2
71.01237	7.2
72.99155	1.4
80.99671	0.9
87.00737	0.3
91.73330	0.2
93.03352	0.2
96.04246	0.1
96.99119	0.1
97.99952	0.3
99.00735	100.0
99.03378	1.4
100.01077	1.3
101.19503	0.2
101.69633	0.2
112.98668	0.8
115.00237	3.7
117.03338	0.3
119.04891	3.6
124.98679	1.1
131.04930	0.2
138.58423	0.2
139.00122	0.2
142.99744	5.1
143.04903	0.4
145.06436	0.3
147.04402	0.3
156.05711	0.3
157.06519	0.5
163.03885	2.8
165.93770	0.2
171.04413	0.2
173.05937	0.5
175.03925	0.2
177.05399	0.2
179.03482	0.2
186.98770	0.6
189.05537	0.3
201.05548	0.9
214.43689	0.2
217.05009	0.8
230.26022	0.2
245.04512	0.7
261.03961	1.0
287.46030	0.2
289.03604	0.6
345.64545	0.2
351.03418	0.4
351.16516	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89020	0.6
53.00168	1.2
53.42653	0.6
53.90210	0.5
55.01738	0.9
59.01240	7.7
62.63943	0.7
65.47840	0.6
68.99674	4.9
70.78568	0.6
71.01239	30.9
72.99169	3.8
73.02783	0.8
77.66795	0.6
80.99683	1.3
84.99168	3.1
85.02794	1.2
87.00744	4.3
89.02293	2.2
90.09800	0.8
93.03315	2.5
95.20898	0.7
96.99167	1.5
98.98055	1.5
99.00735	100.0
100.01070	1.0
103.00220	2.5
109.99930	1.8
111.00769	3.6
112.98669	23.0
113.99044	0.9
115.00237	22.8
119.04891	53.8
120.05260	1.6
124.98692	1.5
125.02301	1.1
132.47420	0.8
133.01280	1.6
133.02841	1.1
136.98703	1.1
139.00278	6.0
142.99731	11.4
143.04866	1.3
145.02832	3.0
145.06506	1.0
147.04416	2.0
157.06439	1.5
161.00812	34.1
161.05942	1.3
163.03903	56.3
164.04292	1.8
171.04446	1.2
173.05992	2.6
175.03931	1.0
177.05493	2.7
186.98773	15.3
189.05501	2.6
201.05496	3.4
203.03442	1.9
217.05023	5.2
219.06535	0.9
245.04532	16.1
261.04102	6.0
307.04642	1.8
351.03610	11.4
351.16434	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05617	2.7
58.43260	2.5
59.01244	100.0
71.01214	7.2
72.99155	5.2
73.02821	3.9
78.16588	3.1
83.04851	2.7
85.02802	3.8
87.71183	3.1
96.95911	3.4
99.00735	9.6
101.02296	3.9
109.02813	4.5
112.82520	2.9
123.04353	3.7
123.07996	4.3
125.02325	6.3
127.07475	4.4
133.97498	2.9
149.06033	3.4
153.01810	25.4
153.05508	5.6
159.04424	5.8
173.04509	3.8
178.99745	5.9
179.14246	5.1
185.20938	3.2
189.07672	4.3
198.82590	4.3
203.08337	3.6
205.48676	3.4
219.06708	5.6
245.15486	5.7
260.10663	7.0
271.13437	6.8
291.14481	6.7
306.23624	3.5
307.15469	5.2
333.13498	11.5
351.14633	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	351.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26703	1.4
53.00188	2.4
55.57895	1.3
57.03299	1.8
59.01240	16.5
61.31233	1.4
61.46242	1.3
63.84132	1.4
68.99660	2.7
69.03325	1.5
71.01238	19.7
72.99150	3.9
73.02796	2.1
75.37007	1.4
80.99688	5.7
81.70441	1.7
91.73336	1.8
93.03305	2.0
93.81475	2.0
96.99213	1.9
99.00737	100.0
99.57681	1.8
100.01112	2.2
101.02329	2.6
108.02034	1.7
109.02848	2.4
111.00742	2.1
112.98672	6.6
115.00259	13.5
119.04893	18.2
121.01269	1.9
124.98679	7.9
125.02393	2.6
137.02390	2.0
139.00253	2.6
142.99722	7.5
143.04874	2.1
145.02829	1.6
145.06413	2.1
147.04459	2.8
151.46584	1.9
153.01842	3.9
157.06541	2.8
159.04422	3.9
161.04485	1.9
163.03922	15.7
167.03433	5.1
173.06015	5.0
186.98813	3.4
196.62135	1.8
201.05562	7.8
204.99855	9.8
217.05057	6.3
245.04538	7.2
260.10449	2.8
261.03973	8.6
289.03461	4.4
351.14560	7.2
351.20422	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12400	4.8
53.99672	5.5
57.89486	4.7
59.01248	41.8
65.83516	4.7
68.91897	4.9
71.01235	15.3
72.99157	12.6
73.02811	5.6
87.00736	5.6
96.95865	6.0
99.00736	100.0
109.02818	7.8
112.98670	6.6
113.02303	9.1
115.00253	10.2
119.04897	17.6
127.26218	5.6
127.64162	6.1
129.05470	6.4
133.02864	6.4
135.04428	7.9
137.02332	9.7
153.01834	18.0
153.05481	7.1
154.99765	11.0
157.95148	5.9
159.04430	8.5
163.03957	19.1
178.99786	9.7
201.05574	7.8
209.07602	5.9
217.04890	8.7
235.16978	8.2
245.04718	6.2
245.15533	6.7
260.10599	7.1
261.04083	11.8
279.16049	7.6
289.03775	6.7
307.15546	13.6
333.13678	7.1
351.03680	9.5
351.08060	9.3
351.14575	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45330	0.2
50.86893	0.2
58.16960	0.2
60.76644	0.2
66.96574	0.2
72.86124	0.3
72.99151	0.5
74.03579	0.3
74.34938	0.3
75.88593	0.2
81.27074	0.2
85.86143	0.6
85.86587	0.4
90.85745	0.4
91.73306	0.3
113.02262	0.5
122.55605	0.2
144.02020	0.3
159.04324	0.7
165.06970	0.8
167.04909	0.4
178.95032	0.2
179.14261	0.3
180.05690	0.4
181.06483	1.2
185.02330	0.6
193.04915	0.4
193.06514	2.4
195.04436	0.7
205.06548	0.4
208.05251	1.1
209.04037	0.2
209.05984	5.1
217.15947	0.3
219.04428	0.6
220.05206	0.7
221.06073	4.3
223.03920	0.5
235.03931	0.4
235.16994	0.7
236.04736	0.9
237.03091	0.5
237.05537	9.2
238.06007	0.3
245.15453	1.1
247.03964	0.7
248.04642	0.5
249.05544	3.7
250.06215	0.4
251.07208	0.4
252.04254	0.4
260.10550	0.4
263.07181	0.6
264.04303	0.8
265.05060	79.2
266.02917	0.3
266.05432	3.7
271.13531	0.4
276.04367	0.7
277.05032	2.6
278.05548	0.4
279.06784	0.6
279.15982	0.4
280.07401	6.3
280.17938	0.3
292.03561	0.4
293.04565	59.2
294.04913	3.2
297.07742	0.4
307.06107	1.6
307.15591	0.6
308.06909	12.9
309.07281	0.4
321.04056	31.8
322.04471	1.5
323.09183	0.4
333.13507	0.8
335.05511	1.2
336.06412	100.0
336.24060	0.7
337.06747	5.8
351.08752	99.4
352.09085	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	351.145
Annotation	Lambicin
Peak:m/z	Relative Intensity
69.03306	5.0
71.01251	2.0
71.04878	2.9
72.99195	1.4
73.02803	2.7
82.63132	1.3
83.04877	5.8
87.16598	1.3
93.03308	2.4
95.04885	3.1
97.02802	5.2
99.04390	14.0
105.09250	1.5
109.02840	2.4
109.96612	1.2
111.04362	2.1
113.36278	1.4
115.03896	7.0
121.87663	1.5
122.03593	2.2
125.02299	3.2
127.03891	9.9
131.04912	2.9
133.06453	5.2
134.73181	1.5
136.33981	1.3
139.89777	1.3
142.34921	1.3
149.05986	4.4
149.09596	4.5
151.07541	11.6
151.11169	7.4
153.12758	4.1
158.03674	1.2
159.04427	7.2
159.08037	5.7
165.12778	2.0
170.07201	2.4
174.06567	1.7
175.03798	1.4
179.07027	3.3
179.10693	2.2
181.12265	23.7
187.07512	6.9
188.08400	2.0
189.12845	1.5
199.14839	1.7
201.12717	2.0
205.16045	1.6
207.17378	2.0
209.11797	9.9
215.14420	14.5
216.11612	3.2
217.15935	90.2
218.16292	5.0
219.17540	1.9
227.14439	2.8
227.95425	1.4
233.11894	3.0
233.15479	2.1
234.12631	3.9
235.00420	1.5
235.17104	5.1
243.13919	4.5
245.15459	100.0
246.15857	4.5
260.10504	1.9
261.15009	4.3
263.16547	21.0
289.14474	21.4
305.14490	1.6
307.15411	7.9
333.13477	83.0
334.13867	5.3
351.14526	59.3
352.14725	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	351.1448
Annotation	Lambicin
Peak:m/z	Relative Intensity
57.03300	1.9
59.33001	0.7
61.18595	0.8
66.12290	0.7
69.03295	1.2
71.04868	3.6
72.99160	13.4
73.02796	4.2
82.14951	0.8
83.04881	1.6
85.02820	2.4
93.03318	1.7
95.04878	3.7
100.45599	1.0
102.94764	0.8
105.06901	0.9
111.04398	1.1
111.51297	0.8
112.01563	1.0
113.02309	9.9
119.04929	1.5
121.02784	1.1
121.06457	2.0
123.08009	3.7
125.02307	3.9
131.04926	1.6
132.05704	0.9
133.06444	2.0
134.06808	1.0
141.01810	2.7
147.04495	0.9
148.05122	1.0
149.02365	2.7
149.05960	7.9
149.09669	1.6
151.11224	0.9
159.04408	13.6
159.07961	1.6
165.12732	2.6
175.03928	1.1
175.07501	1.0
177.05469	6.6
177.12727	9.7
179.10664	2.7
179.14355	6.5
185.02338	2.1
187.07634	1.2
188.08423	1.1
189.12778	1.9
191.07050	1.5
191.10765	1.3
193.05038	2.8
193.12306	1.2
195.06570	1.2
203.03447	4.3
203.14357	1.5
205.12289	1.7
205.15991	1.2
207.13931	3.0
207.17519	4.5
214.06259	1.4
215.10823	1.1
215.14368	2.2
216.11490	12.2
217.15956	6.1
227.14394	3.4
233.11806	7.4
233.15375	4.2
235.17006	11.2
239.05504	1.4
245.15430	21.6
245.17729	1.7
260.10565	10.1
261.11066	1.3
261.15042	1.0
263.16553	3.7
271.13449	7.9
277.14478	4.4
279.16016	7.2
289.14420	4.7
305.13971	5.3
307.15579	17.0
323.14960	1.2
333.13474	17.2
334.13962	1.5
351.14514	100.0
352.14667	8.8
367.13953	3.4
368.14215	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00464	0.2
58.99927	1.3
59.01242	100.0
59.02420	1.9
60.01584	0.8
61.98700	0.4
67.80221	0.2
71.01238	7.1
72.99184	0.4
73.02812	0.3
85.02825	0.6
87.00752	0.4
89.02298	10.9
89.04462	0.2
91.72726	0.3
99.00737	6.2
99.01357	0.4
101.02303	3.5
101.02869	0.3
112.98767	0.3
113.02305	3.4
113.02989	0.3
115.00246	0.5
119.03367	4.5
119.04897	0.9
122.71040	0.2
131.03349	0.6
141.53166	0.2
142.99742	0.3
143.03409	0.9
149.04462	0.3
161.04501	1.0
163.03946	0.5
179.05511	3.7
230.80135	0.2
259.11954	0.3
261.04034	0.2
271.10071	0.2
351.14569	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2177
Annotation	13,14-Dihydro-15-oxo-lipoxin A4
Peak:m/z	Relative Intensity
51.13179	0.2
58.00443	1.0
59.01241	2.5
64.21066	0.2
70.79405	0.4
70.79717	0.3
71.04876	4.8
71.77741	0.3
72.99167	0.9
73.02811	0.4
73.76436	0.3
81.74986	0.4
83.04874	0.6
84.23254	0.3
85.02806	0.3
93.03316	0.4
95.04890	0.7
99.04365	1.0
100.05145	0.3
101.05948	5.2
104.30416	0.3
106.04099	1.2
107.04884	1.0
109.02814	0.3
111.77089	0.3
113.02312	1.0
119.04906	1.7
121.02812	2.1
125.02387	0.4
133.06477	0.3
137.02338	0.3
149.05997	0.3
157.04956	1.1
159.04414	0.9
173.04559	0.3
177.05510	0.8
177.12761	0.6
179.14316	0.5
179.15900	0.3
189.12704	0.5
192.95808	1.1
203.14345	0.5
205.15927	10.4
206.16136	0.6
207.17557	0.5
215.14336	0.7
216.11485	0.9
217.15945	4.0
231.13821	1.0
233.15437	29.8
234.15723	1.6
235.17021	1.5
245.15477	1.8
260.10590	0.7
261.14944	0.8
262.15744	1.0
263.16537	3.3
271.13330	0.8
271.20697	8.8
272.21155	0.6
275.20169	3.8
277.14529	0.4
277.21698	0.3
279.15939	0.6
285.18622	0.5
287.20175	1.6
289.14584	0.5
289.21741	3.3
303.19684	5.2
304.19873	0.5
305.21225	18.6
306.21478	1.5
307.15509	1.2
307.22800	14.5
308.23141	1.1
333.13464	1.8
333.24326	0.3
333.94208	0.3
351.02774	0.8
351.14569	7.6
351.21777	100.0
352.15140	0.5
352.22076	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	351.2178
Annotation	Sinuflexolide
Peak:m/z	Relative Intensity
57.03326	0.3
59.01234	0.6
60.98801	0.2
71.09211	0.3
72.00823	0.2
72.99164	0.4
73.44908	0.3
82.02824	0.9
87.49645	0.4
87.65120	0.2
87.67922	0.3
92.02522	0.4
93.03304	0.5
94.21171	0.4
95.04868	0.4
106.04081	2.3
107.04914	1.2
108.02074	0.3
111.08007	0.5
113.09579	2.2
119.04906	0.8
121.02827	2.0
123.08060	0.6
135.07965	0.4
141.09111	0.3
143.10674	0.7
151.27655	0.2
158.25244	0.3
158.96786	0.3
159.04402	0.6
163.11192	7.4
164.11575	0.4
177.05420	0.4
177.12823	0.4
189.09126	0.3
191.10703	12.2
191.14394	0.4
192.10982	0.4
192.95790	0.7
205.12299	1.0
216.11475	0.3
217.12386	0.5
217.15909	0.7
233.11795	0.4
235.17050	0.5
238.44945	0.3
245.15442	1.1
257.15442	0.3
260.10468	0.6
270.82013	0.3
271.13278	0.5
275.20166	1.3
285.18607	5.1
286.18814	0.5
287.20175	1.6
289.21793	2.9
291.58746	0.3
303.19653	1.8
305.21231	24.0
306.21564	1.7
307.22803	67.4
308.23163	4.3
317.34119	0.3
333.13525	1.1
351.14609	4.7
351.21790	100.0
351.38419	0.9
352.22095	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	351.2178
Annotation	Manaarenolide D
Peak:m/z	Relative Intensity
51.44251	0.2
57.03293	0.3
59.01245	1.1
69.03304	0.4
71.04874	0.7
72.99155	1.0
81.74994	0.5
82.02840	0.9
82.03330	0.6
83.04891	1.0
85.06445	4.7
87.49709	0.4
92.02518	0.4
95.04888	0.8
97.06420	0.7
100.88842	0.3
106.04099	1.6
107.04910	0.5
113.02313	1.0
115.07527	0.8
119.04906	1.0
121.02817	2.2
121.10223	0.3
123.08054	0.5
139.76128	0.3
139.98859	0.4
141.73312	0.4
149.02400	0.3
149.06013	0.6
157.04913	0.7
159.04405	1.3
161.42334	0.3
163.11176	0.4
177.05460	0.3
177.12688	0.5
179.14424	0.8
191.14328	5.8
192.95743	1.1
200.71001	0.3
202.71614	0.3
207.13802	0.4
207.17358	0.5
214.06337	0.5
216.11502	0.9
217.15964	1.1
219.13863	13.6
220.14241	0.6
231.17435	0.7
233.11827	0.7
233.15414	2.4
235.13435	0.5
235.17038	0.8
245.15459	2.7
245.19183	0.4
257.19144	0.9
259.20627	2.6
260.10492	0.9
261.15067	0.3
261.18768	0.4
271.13480	0.7
271.20700	1.2
275.20041	1.4
277.14554	0.4
277.21747	0.7
279.16077	0.5
285.18637	7.5
286.18875	0.7
287.20193	3.0
289.14410	0.6
289.21732	6.5
305.21240	26.3
306.21561	2.2
307.15662	1.6
307.22803	54.5
308.23230	3.9
333.13495	1.6
351.14529	7.6
351.21783	100.0
352.15311	0.5
352.22159	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	351.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01230	3.1
67.65654	0.7
81.03296	0.8
87.01183	0.7
95.04867	1.2
100.35252	0.7
107.86697	0.9
108.02023	2.9
109.02786	1.4
117.14781	0.8
121.02849	1.4
122.03624	4.3
123.04389	100.0
124.04739	1.8
146.03627	1.1
157.04951	1.0
163.24655	0.9
173.06070	0.8
174.06769	1.8
197.18991	1.8
227.20105	1.2
235.16968	0.8
245.15413	2.2
315.23245	8.1
331.23038	1.7
333.24362	8.4
334.24927	0.9
349.23862	2.1
351.14542	4.1
351.25433	85.8
352.25845	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	352.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67237	0.2
52.81872	0.2
54.49398	0.2
57.03320	1.3
57.03556	0.2
57.65512	0.2
59.01244	2.7
61.97557	1.2
61.98694	100.0
62.00012	1.8
64.20713	0.2
65.03822	0.2
71.01241	0.8
73.02813	2.0
75.00719	0.2
78.95763	3.2
80.63728	0.2
81.03300	0.3
83.01251	2.6
83.04891	0.7
85.02823	0.2
89.02303	0.7
91.55502	0.2
93.03313	2.4
93.95358	0.2
96.96833	2.7
99.00774	1.1
99.04375	0.2
100.38912	0.2
101.02317	0.7
101.13609	0.2
105.20823	0.2
111.00740	2.6
111.04377	1.1
121.02815	0.3
127.00245	5.9
127.03933	0.5
129.01830	0.3
137.02345	0.6
155.03455	0.7
166.06247	1.3
173.04486	5.6
173.05984	0.4
181.08687	0.6
189.00331	3.5
257.03564	0.2
272.09189	0.3
351.12335	0.4
352.12247	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	6.1
59.01247	18.6
61.98713	5.6
62.58870	6.1
68.86346	7.2
71.01252	14.1
72.99176	16.2
73.02833	20.5
75.58916	6.6
83.01276	7.1
83.04927	9.5
89.02290	8.7
93.03312	50.1
99.04392	7.9
111.04436	22.2
127.00304	19.4
127.69367	6.4
137.02374	15.7
149.06143	6.7
155.03381	17.7
173.04453	90.4
179.14377	7.4
217.11871	10.0
218.16353	17.0
225.18501	7.0
236.17372	10.8
246.15883	36.3
272.13910	11.5
296.61481	7.7
308.16022	11.5
313.80121	8.4
334.13763	34.2
352.14853	100.0
352.25436	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	353.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12540	0.3
55.01756	3.0
55.01984	0.6
55.55591	0.3
56.93838	0.3
57.03316	24.3
57.04424	0.4
58.03646	0.6
59.01244	0.6
61.60564	0.3
62.71429	0.3
64.61175	0.3
71.01227	0.9
72.12252	0.4
72.62726	0.4
73.02804	19.6
73.46808	0.4
75.00780	0.5
82.99123	0.5
83.01239	42.7
87.00723	1.7
93.03299	0.6
99.00733	12.0
101.02296	3.1
119.04901	1.6
126.96154	0.8
127.00240	100.0
127.03893	1.0
128.00565	2.3
132.92645	0.4
136.04004	0.4
148.96838	0.4
163.04021	1.0
170.99138	0.5
173.04431	2.0
189.00325	51.7
190.00690	1.4
210.02333	0.6
238.49074	0.4
248.76405	0.4
271.39069	0.5
272.55014	0.5
288.07169	0.5
356.52948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54546	0.4
55.01748	3.0
57.03033	1.0
57.03316	18.7
63.70091	0.4
63.98571	0.5
70.74603	0.4
71.01232	1.2
72.99179	0.7
73.02805	21.9
75.00739	0.7
75.28251	0.5
82.19389	0.5
82.99095	0.6
83.01240	46.0
84.01591	0.9
85.56566	0.5
85.88066	0.4
87.00728	2.1
98.27138	0.5
99.00732	13.0
100.01106	0.7
101.02297	3.8
112.48972	0.5
116.47010	0.6
119.04889	1.1
127.00242	100.0
127.03799	1.5
128.00592	2.2
137.56175	0.6
173.04501	1.5
188.93080	0.9
189.00334	57.6
190.00716	1.2
207.01395	7.9
208.01686	0.6
310.89474	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1031
Annotation	Viridiol
Peak:m/z	Relative Intensity
57.20583	0.7
59.01241	5.7
69.95297	0.8
71.01244	1.3
73.02808	1.5
73.89711	0.8
74.54588	0.8
76.61219	1.0
82.60829	0.8
83.01267	1.9
83.22334	0.7
86.36533	0.9
86.37020	0.8
89.02283	1.3
93.03309	2.2
94.36751	0.7
119.04885	1.0
123.48132	0.9
127.00265	4.1
134.03587	1.5
145.02879	4.4
146.03735	1.0
147.04381	1.0
149.05937	1.8
165.07007	0.9
167.04857	0.9
167.08493	1.1
173.04488	1.4
177.12996	0.8
179.08600	1.1
181.06485	1.5
189.00284	1.9
193.05045	3.1
193.06583	1.2
194.07309	1.5
195.08064	7.0
205.06569	1.9
206.07292	5.5
207.08095	12.8
208.05199	1.8
208.08470	1.7
209.06015	5.6
217.06621	1.2
219.08043	1.2
221.05994	1.8
221.98396	1.1
222.06790	3.6
223.07588	15.1
224.04721	1.8
233.05984	6.8
234.06828	9.5
235.07623	20.0
236.04745	1.1
236.08020	1.8
245.06178	2.0
246.06781	1.1
248.08453	1.0
249.05667	1.3
250.06337	8.0
251.07120	84.0
252.07532	3.4
253.04875	1.3
261.05521	5.2
262.06393	10.2
262.59967	0.9
263.07135	35.5
264.07904	10.6
265.05194	0.8
265.08582	3.7
266.09534	2.0
267.06683	5.2
277.05441	1.3
277.08789	6.2
278.05884	2.8
278.09399	2.9
279.06641	79.0
279.09845	3.4
280.06970	3.9
282.09003	3.9
293.08249	5.5
293.15997	2.0
294.05743	1.7
294.08963	27.3
295.06134	40.8
295.09210	2.2
296.06564	2.7
297.07629	1.3
306.05130	1.9
307.06165	17.8
308.06812	4.9
309.04553	0.9
309.07672	4.0
309.11362	3.0
310.08441	9.3
321.07700	7.4
322.08453	33.7
323.05634	82.6
323.09134	7.7
324.06009	5.7
335.14954	1.3
337.07166	11.8
338.07983	96.7
339.08212	5.0
353.03250	2.8
353.10330	100.0
354.10553	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	353.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.5
59.00975	0.7
59.01242	11.1
65.03834	0.6
69.03292	1.0
71.01237	10.0
72.99154	0.6
73.02805	17.3
81.03309	2.6
83.04881	7.6
85.02805	4.4
87.00732	0.8
89.01758	1.1
89.02294	17.0
89.04770	0.5
93.03313	39.1
94.03659	0.6
99.00737	6.2
99.04376	4.8
101.02320	3.9
111.04381	18.8
113.02308	3.8
119.03332	2.7
129.01802	2.7
137.02313	14.1
143.03349	4.6
155.03365	10.0
161.04445	1.5
173.04460	100.0
174.04745	1.2
179.05533	6.7
191.05499	1.2
193.88504	0.6
361.40787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14963	0.4
54.87667	0.5
55.01734	0.7
55.60208	0.4
57.03316	0.8
58.00459	0.7
59.01243	16.6
60.85901	0.4
63.91351	0.5
65.03161	0.5
65.03848	0.5
69.03297	1.1
71.01239	14.2
71.04899	0.6
72.99197	0.5
73.02805	19.2
79.22154	0.5
81.03318	1.6
83.04877	6.6
85.02810	5.5
85.71191	0.5
87.00739	1.4
89.02296	24.7
89.32327	0.5
89.57111	0.6
93.03314	47.6
94.03633	0.9
95.01260	1.0
99.00733	5.3
99.04379	6.5
101.02306	5.3
109.02776	0.5
110.42498	0.5
110.98409	0.6
111.00762	4.0
111.04379	20.3
112.24236	0.4
112.60641	0.5
113.02299	4.8
119.03337	3.2
119.04823	0.5
129.01797	2.4
129.05440	1.0
131.03421	1.4
131.08124	3.1
137.02324	15.2
138.02702	0.5
143.03406	4.7
149.04416	1.0
153.07796	0.5
155.03389	11.1
161.04474	2.9
173.04460	100.0
173.10364	3.7
174.04846	3.0
179.05527	8.4
191.05534	3.7
287.07971	0.7
353.11026	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	353.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39038	0.7
56.31607	0.8
57.03314	3.6
59.00970	1.5
59.01240	16.1
69.03304	3.9
71.01244	11.2
71.04860	3.2
72.99158	4.3
73.02808	9.2
75.00730	6.5
80.04808	0.9
81.03307	4.7
83.01233	3.9
83.04870	3.3
85.02802	5.9
85.99333	1.7
85.99767	0.9
86.67482	0.9
87.00745	6.0
91.05356	1.9
93.03323	4.1
95.01264	1.9
95.04897	3.8
96.95877	5.5
97.02811	10.4
97.06457	1.7
97.69434	1.0
99.00765	1.2
99.04372	3.8
101.02325	1.3
106.04056	1.5
107.04893	6.8
109.02830	1.8
109.06483	2.6
110.03597	1.2
111.00822	1.0
111.04384	4.9
112.01532	1.9
112.24100	1.1
113.02308	21.0
113.05933	1.8
115.03885	1.7
115.25169	1.0
119.04882	1.8
121.02805	2.9
121.06467	1.3
121.10125	2.4
122.03593	2.3
123.04392	17.3
125.02322	22.5
125.05963	1.9
125.09560	1.7
127.00224	5.3
133.06491	2.5
134.03607	1.4
135.04399	9.9
135.08051	3.3
135.11584	1.3
136.05186	3.5
137.02283	1.4
137.05937	4.0
137.09612	1.1
138.03111	1.6
139.03889	2.3
141.01730	1.2
149.02330	1.1
149.05984	1.6
149.09596	4.6
150.03146	3.1
151.03899	2.9
151.07550	14.8
151.11191	2.2
153.05472	3.2
153.09026	1.4
153.67926	1.2
155.10738	1.3
159.04379	1.5
160.05180	3.3
161.04654	2.0
161.05986	9.5
162.03148	4.3
163.03868	1.6
165.12822	1.7
169.05060	1.6
172.10811	1.1
177.05453	3.4
178.06313	1.7
179.03444	10.3
179.07047	32.8
179.10651	1.8
179.14372	1.2
180.07408	1.2
181.12277	4.7
189.00375	3.7
189.12845	1.3
190.02637	1.3
191.03578	1.6
191.10699	3.5
197.04504	4.5
199.14848	1.1
203.14397	2.3
205.05009	7.7
205.12357	1.5
209.11803	5.9
216.07872	2.4
217.12289	3.3
219.10202	9.3
219.13866	2.6
223.05986	4.9
227.14549	1.5
229.12381	2.1
229.15996	6.0
234.09180	1.5
235.13361	7.9
241.07178	4.7
245.15498	3.0
247.13396	4.4
247.17010	2.8
249.14963	1.5
261.14963	8.5
263.16531	2.0
271.13467	1.8
273.03986	1.6
273.14948	11.5
289.14584	2.7
291.15997	23.8
292.60974	1.1
293.16241	5.6
294.84891	1.2
307.15671	2.1
309.16870	8.1
317.13998	13.3
335.15024	88.3
336.15363	6.9
353.09808	7.1
353.16083	100.0
354.16412	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	353.1606
Annotation	Leptin H
Peak:m/z	Relative Intensity
50.96814	0.5
51.00142	0.5
55.01751	1.0
57.03299	1.7
59.01020	0.6
59.01246	6.4
63.06082	0.5
65.03836	0.5
67.63618	0.5
69.03320	1.2
71.01236	1.2
71.04508	0.9
71.04878	12.5
71.05268	0.7
72.99164	2.1
73.02805	16.7
73.59489	0.5
75.00728	6.5
75.65749	0.5
81.03297	1.9
81.45546	0.5
83.01235	0.7
83.04875	1.8
85.02802	1.7
85.99312	1.1
85.99811	1.0
87.00735	1.8
93.03323	1.7
95.04883	0.9
97.02808	1.3
97.06458	1.3
99.04371	1.9
101.02287	0.8
107.04891	1.5
109.06438	0.7
111.04379	1.8
111.08046	1.3
113.02283	4.5
119.04830	0.8
121.06428	1.2
123.04368	1.5
123.08031	0.7
125.02316	45.1
126.02628	1.2
127.00254	1.7
132.05759	0.7
133.06512	0.7
135.04419	1.4
135.08011	1.1
137.05975	3.2
137.09602	0.8
139.11157	0.9
145.06476	0.8
147.04449	0.9
147.08011	1.6
148.05133	0.9
149.09590	1.2
150.06747	0.6
151.11162	0.9
153.09177	0.6
159.04433	1.2
159.08232	0.5
161.05980	0.7
161.09615	2.0
163.07559	2.2
163.11168	1.3
167.10681	2.0
173.04488	1.6
173.05919	0.7
175.11111	0.7
177.09070	0.7
179.07138	0.6
179.10675	6.3
181.12193	2.1
187.11276	1.2
189.00403	0.8
191.10678	1.1
191.14290	0.9
193.12198	1.8
195.10201	0.7
199.14917	1.2
200.08418	0.7
201.12740	0.9
205.12323	0.9
207.06598	2.8
207.10275	0.8
207.13855	1.4
209.11801	10.6
217.08739	1.4
217.12280	1.6
217.15907	1.5
219.10181	0.8
219.13736	0.6
227.12872	1.1
233.15498	1.9
235.13399	4.8
235.17085	0.7
237.18573	0.8
243.13882	1.7
245.15422	1.4
247.13177	0.7
247.17029	4.3
249.14964	1.7
250.15750	0.6
251.12909	1.6
251.16385	0.8
255.28584	0.6
261.14996	0.7
263.16797	0.9
265.18152	2.1
273.14926	7.4
279.12378	5.6
279.15518	0.8
281.17621	2.1
289.14441	1.2
291.16016	12.3
293.13583	0.8
295.15768	0.7
297.13586	0.7
307.15588	1.4
309.17120	11.2
317.14014	1.9
335.15015	61.1
336.15439	4.5
353.16080	100.0
354.16388	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	353.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	1.5
57.03307	1.2
59.01241	4.2
61.85651	0.9
69.03315	4.3
71.01243	1.7
71.04879	2.8
73.02804	4.1
73.19054	0.9
80.02522	5.8
81.02894	1.7
81.03319	15.3
82.53912	1.0
83.01212	0.9
83.04886	1.6
84.02029	11.4
85.02818	1.8
93.03329	3.7
96.95867	12.8
97.02803	1.7
98.03590	28.1
99.04383	16.7
100.01476	1.1
108.02029	33.7
111.04424	1.8
122.03644	5.3
126.03098	9.1
139.87234	1.1
155.03418	1.4
173.04465	8.6
203.98529	1.6
211.20619	4.1
221.28534	1.1
225.22137	1.6
235.20729	2.0
237.22208	10.7
238.22395	1.9
239.23788	5.6
249.22215	12.0
251.23738	1.3
253.25385	3.0
263.23822	36.2
264.24176	2.3
265.21750	6.4
265.25409	3.2
267.23279	32.0
268.23737	2.4
279.23386	2.1
281.24860	100.0
282.25247	7.6
291.23361	20.2
292.23660	3.5
293.69901	1.2
309.24387	51.9
310.24710	3.9
335.22232	3.4
346.31049	1.4
353.19986	17.7
353.23764	1.3
354.19922	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0823
Annotation	derrusnin
Peak:m/z	Relative Intensity
56.58789	0.7
59.01247	4.7
74.43775	0.7
91.72764	0.9
93.03308	5.2
95.01220	1.1
95.04898	1.2
108.02032	68.8
108.05012	1.0
109.02352	1.4
117.03339	3.9
119.04910	2.9
121.02822	4.9
122.03186	0.8
123.04388	80.5
123.08028	1.2
124.04742	2.2
133.02837	1.6
134.03593	4.4
134.72539	0.8
136.01596	1.9
137.02316	1.7
147.04404	13.1
148.01663	1.0
149.02345	3.2
150.03136	1.3
151.03899	2.1
159.79402	0.8
161.02385	2.1
162.03127	24.4
163.03491	0.9
169.06596	1.4
171.04431	1.2
175.03903	12.3
176.01044	3.9
176.04739	3.0
177.01852	9.0
177.05489	2.5
178.02588	3.2
185.06059	2.6
187.00414	1.0
189.01871	1.2
191.03445	5.1
192.04211	0.9
195.04445	1.0
195.86456	0.8
196.05254	1.0
197.05937	3.7
209.05910	0.8
211.03955	1.3
213.05547	6.8
224.04755	1.8
225.05533	7.7
236.04741	0.9
239.03638	0.9
239.07014	1.0
240.04298	2.2
241.05034	16.6
251.03345	1.1
253.05038	6.0
253.09027	0.9
255.06636	0.9
256.07364	5.7
267.03064	1.4
268.03818	2.7
268.07278	0.7
269.04541	8.1
269.08136	0.9
279.03015	1.0
280.03821	2.1
281.04541	4.0
283.06186	0.9
283.09918	1.0
284.06918	18.1
285.07242	1.4
295.06073	2.3
296.03311	8.9
297.04099	6.5
297.07199	1.1
311.05597	17.4
312.06409	33.3
313.06851	2.2
325.07138	1.0
327.08768	32.3
328.09039	2.1
340.05936	4.0
340.09479	3.1
355.08249	100.0
355.11557	4.7
356.08646	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	355.0825
Annotation	derrusnin
Peak:m/z	Relative Intensity
55.01092	0.5
59.01247	3.7
59.39330	0.4
72.71570	0.4
75.29797	0.4
83.41386	0.4
84.89365	0.5
86.90411	0.4
93.03312	9.1
95.56413	0.5
96.95899	0.5
101.02328	0.5
107.04975	0.6
109.02806	3.1
110.30707	0.5
118.02017	0.4
119.04086	0.7
119.04899	8.2
121.02822	7.6
123.04404	0.7
130.04140	0.9
131.04921	0.8
133.02815	1.4
134.03650	1.2
135.04408	3.8
143.04929	0.9
145.02838	1.7
146.03589	0.9
147.04407	12.3
148.05167	1.3
149.02313	0.8
151.03922	0.7
152.27690	0.5
158.03613	1.4
159.04381	2.5
161.05974	1.0
162.03047	0.6
163.03952	1.3
169.06451	0.5
171.04407	1.0
173.04541	0.5
177.01785	0.6
179.03438	1.8
181.06451	0.7
182.07236	0.8
183.08034	0.8
189.05440	0.5
193.06560	0.9
194.07298	0.6
195.08093	2.6
196.05206	0.8
197.09673	1.1
203.70787	0.5
206.07306	0.7
207.08086	1.6
208.05278	0.6
208.08855	0.8
209.06026	1.7
209.09578	0.6
210.06718	2.2
211.03995	0.6
211.07512	2.0
220.03506	0.7
221.06006	1.9
223.07576	4.0
224.08324	2.3
225.09186	2.1
226.06335	1.3
227.07112	1.3
233.06049	1.1
235.07600	3.6
236.04820	0.7
236.08275	1.4
237.05537	4.7
238.06311	4.4
239.07054	6.0
240.07825	0.7
247.09743	1.1
248.04605	0.6
249.05606	2.2
250.06345	1.7
251.07121	7.5
252.07895	18.5
253.08679	23.5
254.08978	0.8
255.06714	2.5
263.07162	1.6
265.05289	0.7
266.05951	1.4
267.06644	9.1
268.07104	1.2
279.06577	4.4
279.48618	0.5
280.07419	5.3
281.08185	22.8
282.08557	1.7
283.06149	1.4
293.08109	2.4
295.06122	0.8
296.06870	0.9
297.07727	1.0
311.05652	3.1
311.09265	2.0
312.06311	2.2
324.06454	4.6
325.07175	26.3
326.07523	1.9
337.07162	1.5
340.09427	2.0
355.08246	100.0
355.11456	4.1
356.08536	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	355.0826
Annotation	Petalostetin
Peak:m/z	Relative Intensity
56.31324	1.3
58.00451	1.5
59.01241	8.4
59.42324	1.4
61.98699	11.6
73.02799	3.1
74.85024	1.6
83.04872	3.9
92.04476	1.6
99.08006	1.6
109.02843	1.6
127.11124	4.1
131.23390	1.6
139.11154	4.7
145.02814	5.2
153.12698	3.5
174.02504	1.7
183.01105	3.5
197.11725	13.8
210.03203	3.7
225.05620	3.8
227.12856	11.2
241.04865	2.8
253.05222	3.4
269.04587	62.6
269.08069	6.7
270.04871	2.7
281.04666	4.1
284.06866	5.8
297.04108	52.3
297.07697	6.7
312.06378	11.4
319.15408	2.5
323.09036	1.9
325.03482	26.2
325.07199	5.4
337.23740	1.9
340.05920	100.0
340.09570	19.6
341.06323	4.8
346.64392	2.3
355.08188	88.9
355.12018	19.2
355.15579	3.8
355.19766	8.0
355.24893	91.1
356.08365	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	355.1036
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
51.49376	0.3
52.49615	0.3
52.59614	0.3
53.05941	0.3
56.94561	0.3
59.01253	0.5
59.59159	0.3
63.59646	0.2
66.79308	0.3
73.92562	0.3
87.00739	0.3
87.93129	0.3
106.04124	0.4
109.02831	0.3
121.02818	0.9
127.00219	0.5
133.02826	1.7
134.03615	66.0
135.03949	0.7
137.02316	5.2
139.03911	1.9
149.05966	17.9
150.03111	0.8
150.06343	0.4
173.04529	0.4
177.23029	0.3
178.02635	33.8
179.02916	0.8
189.06914	0.4
191.00783	0.3
191.03447	0.4
192.97899	1.0
193.04991	100.0
194.05295	2.3
237.37010	0.3
301.71640	0.4
347.45361	0.4
355.10333	1.0
375.75150	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1036
Annotation	trans-p-Feruloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.12948	0.5
55.75001	0.4
57.03312	1.3
59.00967	0.6
59.01238	7.1
60.21019	1.4
60.21285	0.9
61.98684	0.8
71.01239	2.5
72.99142	1.0
73.02809	3.7
75.00717	2.3
83.01244	3.7
85.02798	3.3
87.00719	3.0
88.09401	0.6
89.02285	1.8
91.73301	0.7
93.03302	2.1
99.00738	1.9
101.02312	1.4
111.04361	0.8
113.02303	0.6
113.99454	1.5
114.05450	0.8
115.00246	5.4
121.02858	0.6
123.04403	0.7
127.00264	3.8
128.00539	1.0
129.00713	1.1
130.08574	0.6
134.03638	0.6
134.04581	1.2
135.04442	0.6
137.05994	0.6
148.05247	1.0
157.08566	0.8
163.03885	1.3
164.04631	1.3
173.04428	5.4
174.01598	60.0
175.02353	3.9
177.05531	0.7
179.07002	3.0
189.00307	1.5
191.00748	1.1
193.01225	0.9
193.05006	0.8
209.08131	2.2
221.08017	1.0
223.09369	0.6
237.07748	3.4
265.07196	9.1
267.66220	0.5
274.66666	0.6
293.29849	0.5
295.08206	11.6
306.07901	0.5
319.13806	0.7
329.47314	0.6
355.10339	100.0
356.10760	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	355.1188
Annotation	Ocophyllal B
Peak:m/z	Relative Intensity
55.57473	0.6
55.74476	0.6
57.34561	0.5
57.40158	0.6
79.37178	0.7
86.86876	1.3
86.87411	1.3
95.51891	0.8
96.83689	0.7
100.28527	0.6
185.59134	0.6
208.05261	1.1
224.04688	2.8
225.09032	0.9
238.06223	1.6
239.07027	2.0
251.07065	0.8
253.08658	2.1
266.05807	2.0
267.06494	1.3
269.08191	40.6
270.08667	1.5
280.03714	1.7
281.04645	1.3
281.08163	4.4
284.10538	2.8
294.05869	0.7
295.06125	1.4
296.06995	1.7
297.07690	36.0
297.50708	0.7
298.07907	1.8
305.41357	0.8
312.10043	6.5
325.07208	27.7
326.07416	1.7
340.09528	100.0
341.09961	4.9
355.11905	97.1
356.12283	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	355.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.5
74.29942	0.4
86.86973	1.3
87.00751	0.8
89.02287	0.5
91.01725	0.5
109.02821	0.5
119.01266	5.7
151.86394	0.4
157.05211	0.4
162.03087	0.5
176.52328	0.4
180.05850	0.5
183.13690	0.6
189.05638	0.4
195.04417	0.6
195.08124	0.8
205.06584	0.7
207.08130	0.5
208.05243	0.8
209.06107	0.7
210.03220	0.9
212.04617	0.5
213.05510	0.6
221.06136	1.0
222.03175	0.7
222.06828	0.7
223.04030	0.5
223.07643	1.3
224.04796	1.3
225.05501	1.0
225.09160	1.3
225.54182	0.5
229.08719	0.9
236.04791	0.5
237.05455	0.7
238.02754	2.7
238.06363	1.0
239.03600	0.5
239.07086	1.3
240.04280	0.6
249.05598	2.4
251.07098	1.1
251.95615	0.6
252.04213	1.5
253.05078	1.3
253.08904	2.8
254.05890	0.7
264.04263	0.6
265.05054	0.5
266.02310	3.7
266.05685	2.4
267.06610	2.4
268.07306	1.5
269.04681	1.3
269.08212	13.8
269.11093	0.9
270.08478	0.6
273.07791	0.6
277.05084	1.1
279.06668	1.2
280.03882	0.5
280.07428	1.2
281.04706	1.5
281.08118	8.4
282.05359	1.6
282.09003	2.1
283.09927	0.8
284.10602	0.7
294.05386	2.7
294.08221	0.5
295.06085	1.1
296.06891	4.1
297.04269	1.0
297.07666	18.6
299.02136	0.6
308.06949	1.0
309.07684	17.8
310.08398	2.8
311.09125	2.1
312.10068	8.3
323.09250	1.0
324.06421	1.2
325.07196	11.1
328.05743	0.9
339.08762	3.0
340.09537	66.0
341.09787	3.8
342.07367	3.1
355.11902	100.0
356.12274	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	355.1189
Annotation	(+)-EI 1507-2
Peak:m/z	Relative Intensity
56.09406	0.9
57.11782	0.6
59.01245	4.2
60.41933	1.3
68.86005	0.7
80.08493	0.8
93.03342	1.3
108.02056	1.1
119.04895	5.6
121.02814	1.7
123.04410	1.5
131.04935	1.4
145.02879	1.1
147.04390	13.6
148.05153	1.5
149.02338	1.6
150.03136	1.0
159.04442	1.0
161.02307	1.1
161.05981	1.1
162.03163	1.9
164.04752	1.3
175.03915	90.4
176.04689	37.8
177.01865	0.9
177.05212	1.6
189.05501	6.7
190.04526	1.1
190.06267	22.8
191.06932	1.2
195.08009	1.3
203.03320	1.3
204.04219	19.9
208.03722	16.5
208.05624	1.6
209.06123	0.9
217.05032	13.0
218.05777	11.6
219.06586	37.4
220.06956	1.5
221.06015	1.2
222.05272	32.5
223.05743	1.4
223.07684	2.5
231.06694	2.0
235.07654	2.7
237.05496	1.8
238.06290	0.9
239.07127	3.5
249.05589	1.7
250.06453	2.2
251.07098	4.3
261.05588	1.1
263.07086	1.4
266.05905	1.9
267.06680	7.9
268.07358	1.5
269.08170	1.1
277.04965	1.1
278.05927	1.2
279.06616	17.8
291.06564	5.6
292.07391	1.4
294.09088	2.8
295.06097	21.4
296.06918	13.7
297.07635	3.2
305.08243	1.2
306.08948	4.9
307.06125	20.7
310.08502	11.2
311.09219	18.4
311.12714	1.3
312.09824	1.9
321.07678	1.5
322.08453	14.9
323.08670	1.1
325.07312	1.8
325.10800	21.0
326.11087	1.9
327.12457	4.0
337.10825	18.0
337.15231	1.1
337.16714	1.6
340.09534	4.1
355.11899	100.0
356.12210	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	355.2281
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
52.78251	0.7
56.53603	0.7
56.68020	0.7
59.01233	2.6
59.26396	0.7
59.80870	0.8
59.91716	0.7
64.54876	0.8
64.72334	0.7
70.21111	0.9
72.49814	0.8
79.99363	0.7
96.72248	0.8
106.04123	5.9
107.04885	3.6
119.04897	24.8
121.02821	8.0
121.55881	0.8
133.06450	6.4
146.65677	0.9
147.07957	1.0
151.67438	0.9
156.04175	0.9
161.09695	1.6
164.94392	0.9
166.31763	0.8
175.05115	1.0
217.15910	1.0
229.16000	1.0
253.15770	0.9
295.20581	1.5
309.22144	5.2
311.23831	46.9
312.24200	2.6
355.22836	100.0
356.22977	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	355.2491
Annotation	13,14-dihydro-PGF2alpha
Peak:m/z	Relative Intensity
52.63105	0.5
55.18298	0.4
57.03327	1.5
59.01238	4.3
59.55913	0.5
61.57816	0.4
61.88087	0.4
61.98705	0.8
63.49786	0.4
65.96146	0.5
68.21806	0.5
69.41426	0.5
71.01242	1.2
71.04862	0.7
83.01273	0.5
83.04885	1.6
98.20944	0.5
99.08007	6.2
109.02853	0.6
119.83552	0.5
121.02836	2.3
121.12994	0.5
125.09651	0.5
127.11160	3.5
135.04494	0.7
137.09619	1.3
139.11172	15.3
141.39938	0.5
142.48167	0.5
150.18442	0.5
153.12700	3.1
155.10591	0.7
157.12344	0.8
169.12222	0.8
175.03986	0.6
179.10779	0.7
183.01137	0.8
187.04237	0.7
192.00755	0.5
193.05045	0.7
193.15929	1.8
197.11769	21.6
203.10654	0.7
209.15480	1.1
237.12727	0.9
237.14948	7.0
255.16060	3.6
269.08267	4.2
292.44827	0.7
295.06128	0.6
297.07660	4.1
311.13181	0.7
311.16547	2.0
325.07138	3.2
340.09534	13.4
341.09818	0.9
355.11948	12.5
355.24924	100.0
356.12274	1.1
356.25208	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	357.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83384	0.4
59.01241	1.0
65.26866	0.4
71.01232	0.5
72.99155	0.4
81.03298	0.8
82.99187	0.3
91.05370	0.4
93.03301	1.2
96.95878	0.3
98.01433	0.3
103.05426	0.3
108.02031	1.8
109.02813	84.1
109.05958	1.0
110.03152	2.3
115.05397	0.8
117.03271	0.5
119.04899	3.3
121.02822	3.0
123.04374	2.5
129.03319	3.9
130.04094	0.6
131.04903	2.3
133.17816	0.3
134.03494	0.4
135.04404	2.5
137.02335	1.5
143.04898	0.4
145.02821	1.3
146.03586	2.9
147.04404	33.4
148.04790	1.1
158.03644	5.3
159.04411	100.0
159.09901	1.2
160.04755	4.1
161.05995	1.5
162.03052	0.5
166.02493	0.3
169.82228	0.3
174.03149	0.4
175.03912	1.4
195.06584	0.5
213.09169	0.4
219.03003	0.3
223.07503	0.3
225.05537	0.4
239.07114	0.6
240.07794	0.5
241.08743	0.4
250.06422	0.5
251.07034	1.7
252.07854	3.5
254.05821	0.7
267.06668	1.0
268.07346	1.9
269.08200	37.7
270.08588	2.4
357.09683	0.6
357.19131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0619
Annotation	Phellinsin A
Peak:m/z	Relative Intensity
55.72900	0.2
59.01241	3.4
63.83416	0.3
68.07908	0.5
69.68919	0.3
75.75954	0.3
76.35402	1.0
84.59985	0.3
86.82439	0.3
88.53686	0.3
88.98647	0.7
93.03337	1.8
95.01267	0.7
108.02058	1.2
109.02845	0.5
115.63796	0.3
121.02846	1.4
122.03673	0.3
123.04430	0.5
133.02777	0.5
134.03639	0.6
135.04425	0.8
136.01546	3.6
137.02325	1.7
139.05440	0.6
146.96295	0.3
147.04433	0.8
149.02339	0.4
151.03917	3.1
155.04930	1.0
158.40111	0.3
159.04477	0.6
162.03123	0.5
165.74440	0.4
167.04951	2.1
169.02884	1.0
172.01622	0.6
177.05618	0.5
178.02618	0.4
179.03392	0.8
180.04239	0.5
180.06580	0.4
182.03758	0.4
183.04440	8.6
184.05058	0.5
187.03899	0.8
192.95819	0.5
193.05026	0.8
195.04723	0.6
195.06584	1.4
209.69675	0.3
210.03104	0.9
211.03958	16.7
212.04285	0.8
220.03723	0.4
222.03291	0.3
225.05557	0.5
226.06427	0.6
231.10347	0.6
239.03477	35.6
240.03842	1.9
243.02841	0.6
253.05107	0.5
254.05833	20.7
255.03244	0.4
255.06334	1.0
257.04602	0.8
258.05389	0.5
269.08282	2.6
283.02484	5.9
297.04208	0.8
298.04837	59.2
299.05161	3.1
312.09949	0.5
313.07202	100.0
314.07492	6.4
327.12479	1.0
339.05130	0.5
339.08789	0.4
357.05942	0.7
357.09808	6.6
357.13528	1.3
358.10400	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32152	0.3
59.01241	2.4
61.06530	0.3
67.01749	0.5
75.00692	0.4
93.03334	0.8
96.95845	0.4
100.27876	0.3
107.04878	1.4
108.02036	0.8
109.02818	3.1
117.03286	0.4
119.04853	1.1
121.02834	3.0
123.04405	0.9
133.02824	2.0
134.03603	3.4
135.04388	8.6
136.01529	0.6
137.02370	0.4
143.92650	0.4
145.02832	1.3
146.03596	0.3
147.04416	0.5
149.02296	0.8
150.03062	0.5
151.03905	0.8
159.04471	0.4
161.02328	0.6
161.06015	0.4
162.01724	0.4
162.03117	10.9
162.98921	1.0
163.03903	100.0
163.09680	1.0
164.04237	2.5
175.03906	0.8
176.04655	0.7
177.01802	0.9
177.05392	0.5
178.02583	0.9
178.76646	0.4
179.03320	1.6
180.04239	0.7
181.12213	0.4
189.05544	0.8
191.07185	0.4
192.95728	0.5
195.06557	1.8
200.81615	0.4
231.10239	0.8
251.07056	0.6
252.07533	0.4
254.08765	0.6
269.08203	0.8
281.08078	0.8
282.08276	0.5
285.04095	0.4
295.09406	0.4
299.09396	0.5
309.07617	0.7
313.10947	0.4
324.09943	1.2
327.08295	0.5
327.12375	1.0
329.13968	1.0
339.12341	1.3
342.04004	0.5
356.08588	0.9
356.59607	0.4
357.09644	10.5
357.13583	1.1
357.19342	0.6
358.10004	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53893	0.6
59.00975	0.8
59.01241	11.3
62.46106	0.5
71.01227	1.5
72.99169	5.0
83.50343	0.6
91.05402	1.0
91.40754	0.6
93.03316	8.1
96.95841	1.1
101.05923	0.9
105.03302	1.5
106.04109	0.9
107.04868	0.8
108.02016	1.5
109.02826	4.4
117.03339	2.1
117.92630	0.6
119.04885	4.7
120.99496	0.8
121.02824	18.9
122.03575	2.3
123.00733	1.0
123.04365	2.2
124.05121	0.9
127.07606	0.8
132.02046	1.3
133.02820	8.6
134.03619	29.8
135.04495	3.4
136.05165	0.9
137.02333	7.0
139.03905	0.9
144.66522	0.7
147.04405	4.8
147.25349	0.6
148.05208	0.9
149.02322	12.8
149.05936	1.3
150.03105	12.6
151.00217	1.4
151.03940	1.2
153.01788	1.8
159.04427	1.1
161.02374	0.9
162.03163	4.1
163.03915	4.2
163.11212	0.9
165.01855	0.9
166.10098	0.8
177.01839	5.5
178.02571	2.0
179.03447	1.1
179.10675	1.3
180.04137	1.0
181.01340	0.8
181.12285	1.1
183.12187	0.7
191.03441	6.0
192.04190	6.0
193.01369	4.4
193.04959	1.0
193.12288	3.8
195.06534	1.8
205.01346	0.7
205.04956	1.1
205.12262	1.6
207.02853	1.1
207.06474	0.8
208.03651	1.1
209.11800	3.3
213.05305	1.0
237.05492	3.3
237.11266	0.8
249.11348	4.0
255.06636	4.1
265.05008	1.4
267.12448	0.8
269.08249	0.9
281.10376	0.9
282.05630	0.9
283.06119	5.4
283.09390	1.2
297.07681	2.0
298.08441	10.7
310.04742	1.4
313.03494	2.8
313.10849	27.8
314.11292	1.5
325.07275	2.3
327.05106	1.7
327.12256	1.9
339.08789	1.3
342.07416	9.9
342.11115	1.3
343.08014	0.7
357.09811	100.0
358.10123	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	357.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38145	0.3
59.01238	1.2
74.51100	0.3
77.03822	0.7
83.27173	0.3
89.03831	0.8
93.03316	1.1
95.04845	2.2
100.91894	0.3
105.03318	6.1
105.47764	0.4
106.04100	0.7
107.04883	2.1
108.02046	1.0
109.02815	1.1
115.70771	0.3
117.03345	0.7
121.02825	1.8
122.03642	0.5
123.04382	1.3
132.98882	0.6
133.02827	42.8
134.03629	23.2
134.04677	0.8
135.00345	1.1
135.04393	100.0
135.08945	0.7
136.04729	2.6
137.02321	6.8
139.03880	2.2
140.04315	0.4
141.31467	0.4
141.49319	0.3
142.72876	0.3
142.90196	0.3
146.03627	4.7
147.02158	0.3
147.04366	1.3
149.02383	0.4
149.05972	5.4
150.03090	1.2
151.03865	0.5
159.04390	0.6
161.02321	0.8
161.05980	2.7
162.03078	1.7
163.03906	0.9
164.04692	3.3
165.05302	0.4
175.03937	1.3
176.95795	0.6
177.01848	34.0
177.05266	1.8
177.08704	0.3
178.02626	24.0
179.03409	60.3
179.06992	13.6
180.03767	1.6
180.07402	0.4
192.04193	1.0
193.04990	2.2
195.06604	0.9
205.05006	1.5
220.03862	0.4
221.77849	0.3
269.08221	0.4
280.07336	0.9
283.09726	1.0
295.09763	1.9
313.10800	1.6
314.11310	0.5
327.08667	1.5
327.12344	0.8
339.08762	2.2
356.08560	0.5
357.09747	3.3
357.13522	1.9
357.17288	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1194
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
57.03297	0.8
59.01243	20.1
61.72287	0.4
63.95042	0.4
64.49745	1.1
64.50021	0.6
71.00883	0.7
71.01240	10.3
71.55177	0.5
73.02799	6.3
83.01228	2.1
85.02809	4.3
87.00705	0.6
89.02294	8.7
89.88373	0.6
91.00745	0.5
93.03314	0.8
95.01236	0.9
95.99271	0.6
99.00703	0.8
101.02302	8.0
105.01803	0.6
108.02026	2.0
109.02808	7.5
113.02322	3.0
117.06767	0.6
119.03383	4.0
119.04869	1.3
121.02798	1.1
121.06486	0.9
123.00746	1.0
124.01539	0.7
125.02338	0.6
133.02812	0.6
133.06456	6.8
135.04366	2.2
136.01617	0.8
137.02322	0.7
137.73796	0.6
139.07553	0.7
149.05969	1.3
151.07507	9.5
153.01869	1.4
159.04382	0.9
161.04474	1.4
163.03935	1.6
165.05460	3.0
167.05243	0.6
177.05481	23.6
178.05818	1.0
193.01387	1.2
194.05809	0.6
195.06552	100.0
196.06876	3.4
226.65721	0.7
230.62575	0.6
239.03233	0.6
241.05081	0.6
269.04581	1.8
269.07977	1.3
298.91751	0.6
313.07190	2.5
357.11929	65.8
358.12204	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	0.8
59.01243	20.1
61.72287	0.4
63.95042	0.4
64.49745	1.1
64.50021	0.6
71.00883	0.7
71.01240	10.3
71.55177	0.5
73.02799	6.3
83.01228	2.1
85.02809	4.3
87.00705	0.6
89.02294	8.7
89.88373	0.6
91.00745	0.5
93.03314	0.8
95.01236	0.9
95.99271	0.6
99.00703	0.8
101.02302	8.0
105.01803	0.6
108.02026	2.0
109.02808	7.5
113.02322	3.0
117.06767	0.6
119.03383	4.0
119.04869	1.3
121.02798	1.1
121.06486	0.9
123.00746	1.0
124.01539	0.7
125.02338	0.6
133.02812	0.6
133.06456	6.8
135.04366	2.2
136.01617	0.8
137.02322	0.7
137.73796	0.6
139.07553	0.7
149.05969	1.3
151.07507	9.5
153.01869	1.4
159.04382	0.9
161.04474	1.4
163.03935	1.6
165.05460	3.0
167.05243	0.6
177.05481	23.6
178.05818	1.0
193.01387	1.2
194.05809	0.6
195.06552	100.0
196.06876	3.4
226.65721	0.7
230.62575	0.6
239.03233	0.6
241.05081	0.6
269.04581	1.8
269.07977	1.3
298.91751	0.6
313.07190	2.5
357.11929	65.8
358.12204	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32546	0.3
56.32117	0.3
69.87058	0.4
70.89241	0.3
72.97349	1.2
72.99165	100.0
73.00780	1.8
73.99523	0.5
83.16932	0.3
91.73384	0.7
105.03352	0.4
106.04132	0.6
119.96474	0.4
121.02824	2.2
128.55212	0.4
134.63130	0.4
145.10112	0.4
145.29735	0.4
149.02350	0.8
150.03094	0.6
151.11198	1.1
161.09641	1.5
163.05269	0.7
163.11182	63.3
164.04683	4.1
164.11525	1.6
164.12938	0.3
165.09148	0.4
173.04605	0.8
173.06006	2.1
179.10725	0.9
181.08777	0.4
189.09129	26.2
190.09464	0.7
193.12338	0.4
197.50732	0.4
207.10190	2.5
221.11790	33.1
222.12090	0.4
237.11182	0.5
251.09236	5.1
283.11890	10.5
327.12796	0.4
329.24271	0.4
357.11914	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	357.1193
Annotation	Veranisatin D
Peak:m/z	Relative Intensity
57.03297	1.2
58.00460	20.9
59.01243	15.3
65.03831	6.7
67.01756	2.2
68.99679	2.9
69.03301	1.3
71.01242	8.8
71.04873	2.0
72.57962	1.1
72.99166	9.5
73.02816	5.6
75.00732	1.6
77.74857	1.0
79.01744	11.0
81.03314	100.0
82.03629	1.7
83.01234	1.6
83.04871	5.4
85.02821	1.5
91.05391	2.6
93.03317	4.9
95.01250	3.2
96.99174	1.9
97.02798	2.3
99.00732	5.2
99.04372	5.8
99.08013	11.4
100.98667	6.9
101.02289	2.0
101.05299	2.5
101.05942	35.2
106.04102	10.8
107.01241	1.7
107.04902	2.7
109.00106	1.6
109.02814	81.5
111.00761	2.6
111.04385	20.8
113.02298	1.4
117.03346	1.8
118.04095	2.3
119.03276	1.3
121.02837	4.1
123.00720	1.9
123.04392	10.7
123.07984	1.9
125.02300	6.7
125.05967	2.1
127.03906	3.6
127.07517	19.0
129.01814	5.6
133.02827	3.3
134.03639	7.3
135.04385	8.7
136.01570	1.1
141.05455	46.4
147.04431	2.0
147.11662	1.6
149.09564	3.3
150.05420	1.5
151.00281	1.7
151.03891	4.9
153.01804	10.5
155.03391	2.3
157.04951	3.2
159.04422	3.7
161.02345	4.3
161.09608	1.5
162.03139	4.2
163.07515	1.8
163.11186	6.2
165.09099	4.8
166.06178	1.4
173.04440	3.2
173.09634	5.5
175.11223	8.1
177.01820	1.7
177.05411	2.2
177.09106	2.1
178.99742	1.6
179.10663	2.7
181.12248	1.5
183.02931	4.6
183.10182	25.6
185.04483	33.1
191.10704	23.9
192.11127	2.2
193.12292	6.0
195.06624	3.5
201.09145	10.6
202.02472	1.2
207.10207	4.1
217.08751	1.8
219.10231	13.2
221.08142	2.3
221.11842	2.4
223.03976	1.3
223.13354	13.1
225.11288	63.4
226.11667	3.0
229.03499	92.4
230.03848	4.1
233.11772	2.7
235.09735	2.7
237.11372	2.4
245.08258	2.0
249.11256	2.6
251.12880	10.7
267.06555	1.6
267.12396	12.7
269.01105	2.1
269.04507	7.1
269.07608	1.7
285.03989	1.3
293.10410	1.6
295.02542	3.4
295.11926	6.2
295.50809	1.6
311.11398	63.8
312.11703	3.3
313.03592	2.9
313.07352	1.9
313.12952	50.8
314.13382	3.2
327.08890	2.4
327.12433	5.8
339.10916	25.3
357.11972	91.8
358.12216	8.2
362.62796	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50463	0.2
56.95593	0.2
58.05789	0.2
61.71253	0.2
63.22905	0.2
66.62502	0.2
66.64923	0.2
70.25690	0.3
72.97379	1.3
72.99165	100.0
73.00713	1.6
73.99502	1.1
75.08694	0.3
77.02196	0.2
82.92435	0.2
91.73441	0.3
98.33409	0.2
104.46781	0.2
105.03328	0.3
106.04109	0.9
108.18764	0.3
121.02825	1.9
123.04374	0.6
135.11652	0.4
140.13626	0.2
143.97368	0.2
145.10129	0.3
149.02325	1.1
150.03133	0.6
151.11171	0.8
161.09572	2.0
163.05363	0.5
163.11183	59.7
164.04669	4.9
164.11525	4.1
173.05988	1.5
178.97774	0.2
179.10686	0.9
189.09129	24.1
190.09508	1.6
193.12311	0.4
197.00847	0.4
207.10217	2.6
221.11786	29.3
222.12160	2.0
237.11308	0.6
251.09250	4.9
283.11880	8.3
284.12247	0.4
325.09332	0.4
357.11874	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	357.1192
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
51.30356	0.2
55.12085	0.2
57.92247	0.3
59.01243	42.4
59.02458	0.9
61.98672	0.5
70.35928	0.3
71.01246	1.1
73.02813	0.5
75.00764	0.3
77.60023	0.3
83.01279	0.4
85.02813	0.7
88.03900	0.6
91.73376	0.6
96.95884	0.3
97.05824	0.3
101.02351	0.4
102.87199	0.3
107.04935	0.4
108.02009	1.9
113.02323	0.8
119.04880	2.5
121.02833	2.1
123.04408	2.9
124.01553	0.5
125.02317	0.5
127.00204	0.3
129.00862	0.4
130.08591	2.1
134.03589	0.6
134.04547	0.4
135.04391	9.8
136.05179	13.3
139.07576	0.4
139.64502	0.3
149.05960	0.4
150.03104	1.1
150.91022	0.3
151.03979	1.8
151.07542	3.5
161.04454	0.5
162.03244	0.4
164.37337	0.3
177.05481	0.7
177.10315	0.3
180.04210	0.4
185.16501	0.7
195.06560	100.0
195.13840	0.9
196.06902	4.2
209.08136	0.6
214.10602	0.3
239.09209	2.2
261.09470	0.4
291.44263	1.0
297.13663	0.7
298.56445	0.4
357.11789	1.6
357.21432	2.3
358.19827	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1343
Annotation	Negundin B
Peak:m/z	Relative Intensity
51.98431	0.5
53.61262	0.7
55.65147	0.6
56.19770	0.5
57.51461	0.6
59.01238	4.0
59.11227	0.6
66.35413	0.6
68.85474	0.7
71.24826	0.6
72.74701	0.6
72.82484	0.5
93.03316	2.1
99.08041	0.8
101.60069	0.6
108.02024	2.1
109.02831	1.1
120.99452	0.6
121.02820	10.2
122.03608	4.8
123.04426	0.7
131.62233	0.6
134.03659	1.1
135.04366	0.9
136.01541	73.8
137.02248	2.2
151.03897	100.0
152.04205	0.9
154.02722	0.9
160.05257	1.2
162.03148	1.4
163.03925	1.8
173.04375	0.7
175.03922	1.3
175.07550	1.4
177.05478	0.9
206.07782	0.7
311.12991	1.8
327.12411	1.3
342.11099	4.5
357.13480	23.6
358.13608	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1345
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
55.45587	0.4
58.20199	0.3
59.01241	7.8
59.25608	0.3
60.53466	0.3
60.97383	0.7
68.04911	0.8
69.03316	0.6
71.01236	0.6
85.02790	0.8
93.03316	1.5
96.04424	1.0
108.02037	2.0
109.02815	0.8
119.04922	0.3
120.99488	0.5
121.02819	8.9
122.03619	3.6
123.00739	0.5
123.04354	0.5
124.01544	0.7
134.03624	1.1
135.04388	0.8
135.97372	1.0
136.01537	74.3
137.02405	3.4
140.03441	1.0
147.04430	0.6
150.99025	1.3
151.03893	100.0
152.04222	3.0
154.02608	0.6
159.04370	0.7
160.05208	1.7
161.02245	0.4
162.03105	1.7
163.03947	1.5
168.69286	0.6
175.03873	0.6
175.07574	1.4
176.04726	0.7
176.10782	1.0
177.05441	0.9
179.03476	0.5
179.14424	0.4
187.04025	0.4
189.05493	0.6
190.06233	0.5
193.04938	0.4
285.21048	0.4
297.13663	0.7
298.07550	6.4
304.68234	0.4
311.12930	1.1
327.12540	0.6
342.11047	5.0
357.10065	1.0
357.13480	23.2
358.09821	0.7
358.13785	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78689	0.3
57.03320	0.6
58.79912	0.3
59.00190	1.1
59.01244	100.0
59.02472	1.8
60.01574	1.2
71.01239	9.5
72.00820	0.3
73.02812	3.2
83.00806	0.4
83.01220	1.5
85.02815	3.6
87.00732	0.5
89.02302	2.4
95.01257	0.7
99.00765	1.1
101.02297	4.4
106.49301	0.3
113.02307	3.1
113.73664	0.3
119.03379	0.7
119.72610	0.3
136.01611	0.9
139.47916	0.3
143.03409	0.7
151.03905	0.9
159.02925	0.6
161.04451	4.9
161.05615	0.4
167.67043	0.3
246.29475	0.4
267.19843	0.5
285.20724	11.3
286.21243	0.9
305.17654	0.3
315.18158	1.7
315.50339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2072
Annotation	Kuhistanol G
Peak:m/z	Relative Intensity
51.45996	0.4
53.08613	0.3
59.00974	0.6
59.01242	8.1
62.04784	0.4
63.63960	0.4
72.49280	0.5
73.94940	0.5
80.99735	0.8
81.00158	0.6
84.04375	0.4
86.38010	0.5
86.70482	0.4
89.23586	0.5
91.73323	0.7
92.02528	1.2
93.03271	0.8
106.04114	4.3
107.04888	9.2
108.02015	1.3
109.02837	0.6
110.46893	0.6
112.98446	0.6
119.04893	16.4
121.02830	10.2
133.06482	2.6
136.01514	1.0
136.05093	0.6
147.08031	0.9
151.03836	1.4
155.79430	0.5
163.48827	0.4
173.04388	0.6
175.11182	1.0
177.00230	0.5
182.98703	0.5
189.12822	1.3
201.12895	0.6
203.14328	2.6
215.14331	0.6
217.15901	0.6
229.15959	7.3
239.14565	0.6
253.15971	0.8
257.19040	1.4
267.17477	1.4
269.18878	0.8
277.60663	0.6
279.17496	1.1
281.19171	2.1
283.20679	21.0
284.20959	1.4
285.22269	1.4
287.63565	0.5
293.19101	1.2
295.20657	21.2
296.20950	1.6
297.18692	1.5
313.18094	3.0
313.21829	1.4
357.17245	4.4
357.20746	100.0
358.21100	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45996	0.4
53.08613	0.3
59.00974	0.6
59.01242	8.1
62.04784	0.4
63.63960	0.4
72.49280	0.5
73.94940	0.5
80.99735	0.8
81.00158	0.6
84.04375	0.4
86.38010	0.5
86.70482	0.4
89.23586	0.5
91.73323	0.7
92.02528	1.2
93.03271	0.8
106.04114	4.3
107.04888	9.2
108.02015	1.3
109.02837	0.6
110.46893	0.6
112.98446	0.6
119.04893	16.4
121.02830	10.2
133.06482	2.6
136.01514	1.0
136.05093	0.6
147.08031	0.9
151.03836	1.4
155.79430	0.5
163.48827	0.4
173.04388	0.6
175.11182	1.0
177.00230	0.5
182.98703	0.5
189.12822	1.3
201.12895	0.6
203.14328	2.6
215.14331	0.6
217.15901	0.6
229.15959	7.3
239.14565	0.6
253.15971	0.8
257.19040	1.4
267.17477	1.4
269.18878	0.8
277.60663	0.6
279.17496	1.1
281.19171	2.1
283.20679	21.0
284.20959	1.4
285.22269	1.4
287.63565	0.5
293.19101	1.2
295.20657	21.2
296.20950	1.6
297.18692	1.5
313.18094	3.0
313.21829	1.4
357.17245	4.4
357.20746	100.0
358.21100	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2073
Annotation	Kuhistanol E
Peak:m/z	Relative Intensity
57.03308	2.2
59.01245	6.0
59.28527	0.3
67.49281	0.4
68.99401	0.3
69.03303	0.5
69.12621	0.4
70.37054	0.3
71.04857	0.4
73.00362	0.8
78.95733	0.5
82.93839	0.4
83.04857	0.4
83.53086	0.6
85.06449	6.7
85.59214	0.4
89.21390	0.4
92.02529	1.1
93.03288	0.9
106.04090	3.4
107.04890	8.6
108.02029	0.6
111.08022	0.6
111.73409	0.6
112.98407	0.8
119.04889	12.0
121.02826	6.5
133.06482	1.5
136.01509	0.8
151.03899	0.6
160.33226	0.4
161.09607	0.5
175.11171	0.6
189.12766	1.3
198.80356	0.5
201.12790	0.8
203.14339	5.6
205.12320	0.6
215.14384	6.1
217.15916	0.9
227.14343	3.0
229.15964	0.8
233.15303	1.0
243.17525	61.8
244.17828	3.5
245.15494	1.1
257.19135	0.6
271.20737	0.6
273.28845	0.4
288.62131	0.4
295.20749	2.3
297.18542	1.0
313.21750	30.9
314.22079	1.4
357.20734	100.0
358.21033	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2436
Annotation	Akaol A
Peak:m/z	Relative Intensity
50.54296	0.3
59.72680	0.3
69.74056	0.3
73.56200	0.6
83.53950	1.1
83.54486	0.7
92.02043	0.3
92.02517	1.6
106.03395	0.5
106.04102	7.7
107.04908	3.2
108.02028	0.7
119.04892	21.8
120.05173	0.4
121.02024	0.5
121.02831	7.7
128.95915	0.3
133.06471	7.8
137.02324	0.4
147.08009	0.6
161.09592	1.5
175.11203	1.7
189.12727	0.9
203.14320	0.4
211.74612	0.4
217.15790	0.5
229.16017	0.5
231.17503	0.4
312.20090	0.4
313.25394	100.0
314.25723	7.6
319.16211	0.4
357.24377	87.0
358.24719	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	358.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98078	0.2
59.01250	0.7
61.98695	0.2
71.99203	0.2
72.00764	9.8
78.95760	0.4
91.05405	0.7
93.03309	0.3
96.95887	0.3
99.00748	0.4
99.38125	0.2
109.02801	0.2
118.06510	0.2
120.01128	0.4
125.06068	0.2
134.04552	0.2
137.02322	0.6
140.07083	0.2
142.82103	0.2
147.04404	32.7
148.04747	1.0
153.01779	0.5
154.02158	0.3
161.77187	0.2
164.01634	1.1
164.07069	100.0
165.07439	2.9
173.04471	0.2
179.03499	0.3
184.06047	1.0
185.01024	0.2
193.04887	0.3
229.28052	0.2
237.04095	0.3
359.12427	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	359.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45832	0.3
52.19559	0.4
58.99922	0.6
59.01241	79.7
59.02414	1.6
60.01576	0.8
72.99158	2.3
73.02803	0.5
76.65350	0.3
91.72689	0.7
114.98732	2.4
116.92749	0.4
117.00313	0.9
132.98085	2.2
133.39691	0.4
156.90720	1.3
156.99826	4.3
157.03416	2.0
159.01396	3.3
174.99161	22.6
175.99477	0.6
189.70641	0.4
198.91806	1.8
198.99416	0.7
200.55510	0.3
201.02478	26.8
201.09886	0.4
202.02602	1.8
215.00458	0.7
215.03983	0.5
217.00258	100.0
217.08516	0.9
218.00667	2.1
231.00500	0.5
232.98463	1.1
257.71399	1.5
259.01514	0.5
273.01736	0.7
274.88898	0.5
274.99619	5.9
275.99744	0.6
276.98035	0.5
299.01257	2.3
315.02817	0.6
316.89706	0.4
317.00623	8.3
318.00778	1.4
340.93073	0.7
341.00565	0.5
359.01663	16.5
360.01831	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01362	0.6
57.03313	0.8
59.01244	3.5
62.80238	0.4
65.00194	0.5
65.03822	0.5
67.01747	0.6
68.99680	0.5
71.01237	1.7
72.99170	0.4
73.02818	0.5
81.03325	0.8
81.73351	0.4
83.01237	3.9
83.04873	0.8
85.02831	0.5
89.02298	1.6
93.03317	0.9
95.01255	0.5
97.02817	0.4
101.02312	0.7
107.01275	0.4
108.02024	3.7
108.99671	0.9
109.02814	73.3
110.03159	1.5
113.02277	0.6
119.03340	0.7
121.02880	0.5
123.00782	0.5
123.04382	3.6
124.03936	1.4
125.02316	9.7
128.62204	0.4
134.03612	1.4
135.00742	0.4
135.04346	0.8
137.02307	1.5
149.02333	0.6
149.05957	1.5
151.00241	4.3
151.03883	1.0
152.01035	2.9
152.96555	1.0
153.01825	100.0
154.02164	2.4
164.03381	0.4
177.01842	1.0
178.99821	1.3
179.03519	0.7
180.06592	0.5
185.04533	0.5
195.03011	0.6
196.03757	0.6
197.00832	1.3
197.04494	2.6
257.07800	1.6
315.03455	0.4
315.07251	10.9
359.06229	36.4
359.10251	3.5
360.06412	2.4
373.07773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.9
59.01245	3.0
65.00175	2.0
67.01740	1.4
68.99678	2.5
71.01238	1.6
72.99165	0.8
73.02776	0.5
73.77903	0.4
81.03314	2.0
83.01244	16.1
83.04874	1.2
85.02311	0.5
85.02807	1.6
89.02318	1.5
91.01749	0.6
93.03297	0.9
96.95870	0.7
101.02298	1.1
102.01743	0.4
103.00233	1.0
107.01250	3.4
109.02808	7.4
111.00748	1.7
113.02318	0.6
114.50631	0.5
119.03344	0.5
121.02807	1.1
123.04391	5.2
125.02318	38.1
126.02674	1.2
127.03862	0.6
135.00774	0.7
137.02325	1.9
139.03859	0.7
149.02332	3.1
151.00269	15.3
152.01039	0.9
153.01828	100.0
153.05426	1.9
153.06766	1.0
154.02184	3.7
161.04506	0.6
167.03448	0.6
169.01303	0.9
177.01889	3.3
178.99756	4.8
179.10664	1.2
195.02907	1.9
196.03754	0.5
197.04434	3.8
236.44569	0.5
257.07748	0.8
287.07559	0.7
290.03970	0.5
315.07236	10.0
316.03748	0.5
316.07462	0.6
341.05154	1.9
359.06155	9.9
359.10089	5.1
360.06329	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01362	0.6
57.03313	0.8
59.01244	3.5
62.80238	0.4
65.00194	0.5
65.03822	0.5
67.01747	0.6
68.99680	0.5
71.01237	1.7
72.99170	0.4
73.02818	0.5
81.03325	0.8
81.73351	0.4
83.01237	3.9
83.04873	0.8
85.02831	0.5
89.02298	1.6
93.03317	0.9
95.01255	0.5
97.02817	0.4
101.02312	0.7
107.01275	0.4
108.02024	3.7
108.99671	0.9
109.02814	73.3
110.03159	1.5
113.02277	0.6
119.03340	0.7
121.02880	0.5
123.00782	0.5
123.04382	3.6
124.03936	1.4
125.02316	9.7
128.62204	0.4
134.03612	1.4
135.00742	0.4
135.04346	0.8
137.02307	1.5
149.02333	0.6
149.05957	1.5
151.00241	4.3
151.03883	1.0
152.01035	2.9
152.96555	1.0
153.01825	100.0
154.02164	2.4
164.03381	0.4
177.01842	1.0
178.99821	1.3
179.03519	0.7
180.06592	0.5
185.04533	0.5
195.03011	0.6
196.03757	0.6
197.00832	1.3
197.04494	2.6
257.07800	1.6
315.03455	0.4
315.07251	10.9
359.06229	36.4
359.10251	3.5
360.06412	2.4
373.07773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0775
Annotation	Irisflavone C
Peak:m/z	Relative Intensity
50.57278	0.2
53.34827	0.2
53.39975	0.2
57.03310	0.2
57.76836	0.3
59.00968	0.4
59.01245	5.6
67.96712	0.2
71.01238	0.8
72.99168	0.3
73.02803	0.6
81.03288	0.3
84.38602	0.2
85.02809	0.7
88.03902	0.3
89.02285	0.4
90.98440	0.4
93.03316	0.5
101.02292	0.4
107.04871	1.6
107.16328	0.2
108.02027	2.0
108.99574	0.3
109.02818	25.7
109.05724	0.4
110.03166	0.4
113.02325	0.4
115.05458	0.3
119.04887	1.7
120.43026	0.2
120.99513	0.2
121.02809	0.7
122.03609	1.5
123.04384	3.6
125.02342	0.5
126.64082	0.2
131.04895	0.6
133.02817	0.4
133.06444	0.3
135.04384	1.2
137.02309	0.4
137.05969	5.5
139.07486	0.3
140.35011	0.3
141.09093	0.3
143.04918	0.8
145.02820	0.4
146.03633	1.5
147.04408	2.1
148.05170	2.2
149.05972	10.3
151.03891	0.2
153.01855	0.3
153.05455	0.7
153.12646	0.3
159.04417	4.1
160.05121	0.7
161.05978	100.0
161.11221	1.4
162.06317	3.1
170.59692	0.2
172.05200	0.3
175.03883	0.3
177.05490	0.4
182.01974	0.3
185.06042	1.0
187.03946	0.6
193.04936	1.0
197.06075	0.3
199.07610	0.8
201.09145	0.3
203.03477	0.3
205.04999	3.8
209.11737	0.3
211.03841	0.3
213.05551	0.3
224.04776	0.4
225.05507	0.9
227.07025	0.3
228.04243	0.3
229.05043	0.9
230.05992	0.3
231.02928	1.3
233.11852	0.3
238.06374	0.3
240.04071	0.4
241.05051	3.0
243.06572	0.8
245.11719	0.4
251.07199	0.3
253.08669	1.6
255.06635	0.3
269.08148	0.8
270.08658	0.2
271.09793	10.0
272.10077	0.5
278.05981	0.3
279.06622	0.3
297.07852	1.2
299.14972	2.3
315.08716	2.4
341.06351	0.6
359.07733	19.1
359.12970	0.6
360.08075	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37909	0.2
59.01242	17.8
65.94278	0.3
68.58921	0.8
71.01241	1.8
72.99136	0.4
73.02783	0.4
85.02763	0.7
89.01451	0.3
98.78917	0.3
99.00686	0.4
101.02273	0.8
109.02776	0.9
109.99932	0.4
113.02273	0.8
121.02830	3.1
122.03619	2.0
123.00729	1.2
133.02818	0.4
134.03572	1.3
135.04364	1.1
137.05952	7.1
137.99467	0.4
141.07010	0.5
143.04890	0.6
145.73965	0.3
146.03593	0.9
147.02856	0.4
149.02274	0.5
151.00232	1.0
157.06430	1.1
161.04446	2.4
165.05385	0.5
167.04980	1.6
169.06483	1.7
171.04375	1.5
174.03062	0.5
180.05731	0.5
183.04517	0.6
183.40773	0.4
184.05232	0.7
185.04404	0.7
185.05984	9.0
189.69925	0.3
193.04916	0.4
195.04466	4.5
195.59718	0.3
196.05209	2.0
197.05978	3.3
198.03143	0.7
199.03899	1.0
211.03989	1.8
212.04724	3.9
213.05513	23.1
213.13498	0.4
214.05865	0.7
223.03920	3.9
224.04755	10.6
225.05391	0.8
226.02856	0.4
227.07057	0.9
229.05057	1.1
238.06335	0.5
239.03459	2.7
239.07097	1.2
240.04234	5.7
240.94528	0.7
241.05032	60.2
242.05319	2.7
255.06627	2.0
255.08867	0.3
256.07401	17.1
257.02115	0.4
257.04620	1.3
257.07651	0.8
259.06204	2.3
260.07318	0.4
266.90982	0.4
267.03003	3.3
268.03708	1.2
271.06241	1.2
271.09778	4.7
273.04080	0.6
283.06079	1.6
285.04056	12.2
286.04343	0.5
299.05527	0.5
300.06396	25.9
301.06848	1.4
315.08759	100.0
316.09058	5.4
327.71567	0.4
359.07684	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	359.0775
Annotation	Rosmarinate
Peak:m/z	Relative Intensity
52.39168	0.4
59.00965	0.7
59.01242	5.7
59.77274	0.4
71.01221	0.6
72.99168	0.6
73.02801	0.4
87.00742	0.6
89.03825	1.0
93.03330	0.7
105.47792	0.7
107.04883	1.7
107.61291	0.4
108.02026	1.0
109.02820	9.4
116.17262	0.4
117.03277	0.5
120.99519	0.9
123.04400	0.7
133.02829	2.2
134.03622	5.0
135.04395	100.0
136.04716	2.3
137.05969	1.5
139.03780	0.6
144.08244	0.5
146.03633	1.0
147.02806	0.5
147.04353	0.6
149.02313	1.0
153.01823	0.7
161.02310	2.1
161.05983	3.9
173.04417	0.6
179.03410	90.5
180.03780	1.7
181.93466	0.4
190.02634	1.4
193.08667	0.5
205.01405	2.5
205.05016	2.1
227.07314	0.5
243.03020	1.0
248.61360	0.6
253.05167	0.7
267.44226	0.5
271.02292	0.5
271.06281	1.3
282.05057	0.7
297.07507	0.5
299.14941	1.7
315.04846	0.5
315.08615	0.6
359.07788	2.0
359.15485	0.5
382.90851	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70213	0.4
52.27302	0.4
54.43748	0.4
59.00969	1.0
59.01245	12.4
59.01546	0.7
63.90660	0.5
71.01237	5.4
71.98151	0.5
72.68881	0.4
72.99179	1.1
73.02807	13.6
77.50435	0.5
83.01227	0.9
83.47326	0.5
84.82455	0.5
85.02810	1.4
86.31533	0.5
87.00722	1.6
89.02292	3.6
93.03327	1.2
101.02298	4.9
101.59830	0.5
109.02809	2.7
113.02311	1.2
119.03354	2.4
121.02825	1.3
121.06457	1.2
122.03612	2.8
129.01802	0.9
137.02332	4.8
137.05978	3.5
138.03105	100.0
138.07811	1.2
139.03896	69.3
140.04236	2.0
151.88757	0.5
152.04660	1.3
153.05463	91.9
154.05783	3.4
157.01070	0.6
161.04453	14.9
161.05804	1.1
193.05000	2.9
195.06586	2.0
197.04529	0.9
283.08246	19.1
284.08606	0.9
315.10858	31.9
316.11249	1.6
359.10004	0.6
360.10699	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45469	0.1
55.86687	0.1
59.00065	0.1
59.01259	0.5
59.14640	0.1
62.62350	0.1
68.39635	0.1
76.39386	0.1
80.02526	0.2
81.03320	0.3
90.43060	0.1
91.72768	0.2
95.58907	0.1
97.02782	0.2
107.99145	1.4
108.02029	100.0
109.02339	1.9
113.25494	0.1
121.02833	0.4
123.00884	1.2
123.04384	88.5
124.04702	1.8
135.04391	0.1
153.05544	0.1
160.05295	0.2
166.06274	0.8
168.44716	0.1
173.42003	0.1
181.04967	0.3
181.08620	0.1
217.00249	0.2
236.06776	0.1
260.38699	0.1
299.09464	0.1
315.08664	0.2
316.06329	0.1
316.09384	0.5
329.14008	0.2
331.11978	0.4
357.34827	0.1
359.06900	0.2
359.11334	2.0
359.15341	0.2
366.85635	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	359.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39348	0.2
57.03317	0.3
59.00133	1.5
59.01243	100.0
59.02522	1.5
60.01588	0.6
64.24042	0.2
71.01243	6.6
72.99171	0.6
73.02813	2.4
81.03342	0.3
83.01258	0.6
85.02794	2.9
85.03217	0.2
89.02342	0.4
89.30160	0.3
90.32153	0.3
93.03338	0.7
95.01241	0.5
97.02809	0.3
99.00765	1.0
99.08035	0.3
101.02312	3.5
105.01813	0.4
109.02783	1.3
110.00143	0.2
113.02311	3.0
121.02854	0.8
122.03610	5.5
123.00774	0.3
125.02340	0.3
137.02336	0.3
137.05956	5.2
137.06895	0.4
138.03130	0.3
143.03372	0.3
147.02850	0.3
149.02325	1.5
151.00304	0.9
153.01964	0.4
159.02919	1.0
161.02455	0.4
161.04457	8.0
161.05814	0.4
165.01880	0.7
173.04581	0.4
185.06036	0.8
185.11765	6.5
185.13359	0.3
203.03436	0.3
212.04950	0.3
213.05507	1.6
224.04880	0.9
225.11382	0.4
239.03581	0.4
240.04271	0.4
241.05046	5.6
241.07445	0.4
253.05164	0.4
255.06870	0.4
256.07498	1.0
271.06351	0.4
271.10034	0.3
285.04114	0.8
300.06363	2.2
315.05225	1.3
315.08917	6.2
316.09164	0.6
359.00351	0.4
359.08264	0.4
359.13303	0.4
359.17395	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37292	1.0
55.01727	0.9
55.07695	0.9
56.32962	0.9
58.00449	2.6
59.00069	1.7
59.01242	100.0
59.02544	1.1
69.03319	1.2
70.99660	0.9
71.01238	49.8
72.99168	5.0
73.02811	1.7
78.28367	0.9
83.01238	2.5
85.02821	9.1
85.03273	1.8
87.00723	2.9
89.02296	76.8
95.01221	2.8
96.93710	1.0
96.95860	2.0
99.00813	1.3
101.02299	32.3
109.02831	2.5
111.08020	2.1
113.02300	19.5
119.03368	29.9
120.99540	3.1
122.03619	3.4
123.04369	1.5
125.02329	1.2
131.03363	2.8
135.04401	1.3
137.02298	1.9
137.06000	4.3
137.09552	1.6
138.03134	1.8
143.03372	3.7
146.03627	20.5
149.04416	1.8
149.09613	30.2
151.03914	1.7
153.01854	1.6
153.05463	2.7
159.04539	1.2
161.04485	3.8
161.05975	6.6
164.04678	15.8
165.09140	5.4
179.03482	3.1
179.05580	4.1
179.07033	48.2
179.10678	3.4
181.08611	1.5
182.02129	2.5
182.05746	2.8
183.10217	5.3
193.08632	2.0
195.10179	1.5
197.04544	3.7
197.08151	5.6
209.08138	4.0
211.09720	3.4
223.09715	6.2
237.07819	1.5
267.08780	4.6
285.09818	19.1
315.07779	1.9
341.08881	3.2
359.09906	10.7
360.10590	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	359.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.8
57.03295	2.3
58.00444	0.8
59.00068	0.9
59.01242	47.4
59.02511	0.7
61.98681	2.3
65.03509	1.1
69.03326	0.7
71.01239	35.4
71.02899	0.5
72.99147	1.6
73.02808	13.0
75.00723	1.0
81.03288	0.8
83.01235	7.4
85.02805	19.0
85.93868	0.5
85.99943	0.8
87.00741	4.0
89.01757	1.0
89.02299	17.1
93.03353	0.8
95.01229	2.9
95.04880	0.8
95.40982	0.5
96.95857	0.8
99.00739	5.2
99.04373	0.9
101.02299	33.3
102.95435	0.6
108.02052	0.8
109.02784	1.7
111.00738	0.7
111.04366	0.7
113.01554	1.1
113.02307	16.8
115.00263	0.8
116.68868	0.5
119.03366	7.5
120.99519	8.0
121.02805	3.2
122.03599	18.9
123.04424	6.9
124.01534	0.6
125.02306	1.3
129.01808	0.7
130.08653	0.8
131.03406	1.3
135.04391	1.5
136.01527	1.7
137.02356	3.4
137.05954	4.2
138.03110	10.1
139.02914	1.0
139.03897	10.3
141.08990	0.6
143.03407	1.5
148.05183	1.7
149.04456	0.7
151.03934	0.8
153.01804	2.2
153.05472	11.8
154.02605	1.4
159.02887	2.5
161.04442	7.9
163.03941	2.6
164.04689	4.3
173.04469	1.4
173.29997	0.6
175.02377	0.9
179.05469	1.6
179.07045	7.4
182.05757	35.0
183.06105	1.0
185.08122	2.9
193.08646	6.1
197.08122	100.0
198.08426	4.2
221.06676	0.9
230.01736	0.6
237.07663	8.5
241.10789	2.1
267.03381	0.7
283.08377	0.6
287.82706	0.6
299.14990	2.1
315.10840	3.7
359.13498	65.9
360.13831	4.8
373.94995	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1503
Annotation	Muricarpone A
Peak:m/z	Relative Intensity
53.84657	0.5
59.01241	3.5
61.00343	0.4
62.13640	0.5
63.02234	0.5
69.77132	0.4
71.01221	0.6
71.80468	0.4
80.50053	0.6
95.04917	0.7
102.91370	0.5
107.04882	1.7
108.02040	2.3
116.04943	0.9
118.45142	0.5
120.98225	0.5
121.02792	4.1
121.06458	2.4
122.03588	1.8
123.04408	4.3
130.08641	3.7
134.03607	0.7
135.04398	29.5
136.04680	1.0
137.02391	0.7
147.04382	1.7
148.05161	0.6
149.02304	1.7
149.05965	8.5
150.02094	0.8
150.03139	8.9
151.03835	1.1
159.04416	3.3
160.05191	7.8
161.05940	2.2
162.03177	0.6
163.03940	3.0
164.04732	1.7
165.05475	3.6
166.06288	0.7
167.06006	2.9
169.07649	3.8
173.05910	0.7
175.07568	5.1
177.05440	1.7
177.06927	0.6
178.06221	2.3
179.07071	23.6
179.08627	1.2
180.07834	66.4
181.08148	1.9
182.05756	1.9
192.07845	1.2
193.07466	0.7
194.05795	4.0
194.09450	3.9
195.10210	8.5
203.07028	0.8
204.07516	0.8
207.06517	1.0
208.07365	15.9
212.06871	4.6
213.06671	4.0
222.08815	2.1
223.09718	100.0
223.18365	1.3
224.10080	4.2
226.08456	6.4
235.09898	0.9
237.06647	1.5
241.06323	0.8
241.08580	0.9
253.08780	0.6
254.05699	0.8
255.07657	1.8
255.10266	1.3
269.08212	7.4
281.08240	1.4
283.09738	4.8
296.10498	1.3
297.18112	1.3
299.06253	3.7
299.09637	5.3
300.09973	2.2
311.09329	8.8
311.12769	0.8
314.11679	7.2
315.12344	1.6
316.13095	2.1
326.11649	7.5
327.12271	0.7
329.13962	24.4
330.14255	1.8
331.15512	4.9
332.06964	0.6
341.13849	7.6
341.17300	1.0
342.14236	0.8
344.12796	0.7
359.14990	13.2
359.21146	1.0
360.15427	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89950	0.2
55.34822	0.3
55.55486	0.4
55.55714	0.4
56.56826	0.3
57.51987	0.2
58.54179	0.4
59.01245	1.8
66.93958	0.2
77.34348	0.3
77.73724	0.2
87.71736	0.3
91.05369	0.6
91.72835	0.5
93.03322	1.1
95.04865	0.3
103.05382	0.3
105.03319	0.3
108.02034	0.9
109.02828	1.5
111.08022	0.7
115.05397	0.4
119.04891	3.2
120.02061	0.3
121.02820	10.4
122.03605	4.0
123.00742	1.5
123.04384	0.8
124.01537	0.8
129.03333	4.0
130.04126	1.3
131.04893	1.0
134.03638	0.5
135.04431	1.6
136.01547	0.4
136.05176	1.8
137.02336	1.0
137.05980	1.2
138.03105	0.5
138.39978	0.3
143.04944	1.5
145.02815	1.5
145.06520	0.4
146.03644	2.2
147.04401	25.8
147.09566	0.3
148.04822	0.6
149.02309	2.0
149.05997	0.7
150.03108	4.0
151.03796	0.5
153.01843	0.8
153.05481	0.9
154.02641	0.4
157.08600	1.8
158.03625	5.7
159.04411	18.9
160.05194	53.1
161.00847	0.3
161.05980	17.9
162.03139	0.5
162.06293	0.7
163.03914	5.7
164.04692	9.5
165.05470	33.7
166.05783	0.8
168.04190	0.3
171.10106	0.8
173.02296	0.3
173.05984	6.4
174.06766	2.3
175.04082	0.8
175.07556	36.5
176.04739	0.9
176.07892	1.0
177.01901	0.8
177.05472	8.2
178.06268	18.5
179.06686	0.6
187.09705	0.8
190.06244	0.5
191.07176	0.7
192.07855	8.8
193.08614	3.7
205.01382	1.8
293.14340	0.3
299.12573	0.4
314.11621	1.5
326.04510	0.3
329.13962	100.0
329.69434	0.3
330.14294	7.6
330.18222	0.4
341.19724	0.9
359.11185	1.4
359.15594	0.5
359.20773	10.8
360.21069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1866
Annotation	7-Methoxyrosmanol
Peak:m/z	Relative Intensity
57.42139	0.5
59.01247	4.6
59.84864	0.4
60.32183	0.4
69.05118	0.4
71.16104	0.5
72.44771	0.5
77.64270	1.5
83.04872	0.8
92.02522	1.1
95.01244	0.6
106.04093	3.0
107.04890	3.6
108.02039	0.9
111.04379	0.8
119.04089	0.8
119.04900	13.2
121.02805	6.3
133.06479	2.9
137.02335	0.7
140.37242	0.6
150.25595	0.6
150.79611	0.5
161.09650	1.2
165.05511	0.7
170.05792	0.8
175.11229	1.0
188.61911	0.5
194.95506	0.9
201.02420	0.6
203.14386	1.2
217.00276	2.1
231.13821	1.1
261.83984	0.5
271.20694	83.6
272.21033	6.0
287.20029	3.1
297.18546	3.2
299.16199	0.7
315.19705	16.8
315.23044	1.0
315.27081	0.7
316.20105	0.9
329.14130	0.6
359.18661	100.0
360.19037	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	359.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91666	0.3
57.03297	0.9
58.00456	0.6
59.01242	4.3
64.43491	0.2
69.03307	0.6
71.01231	0.7
71.04903	0.3
72.48662	0.2
73.02787	0.3
82.74224	0.2
83.04861	1.2
90.56601	0.2
93.03320	0.2
95.04887	0.3
97.02789	0.3
97.06433	0.3
109.02815	0.7
109.06441	1.1
109.53518	0.3
111.08019	5.5
112.08265	0.3
113.09588	3.3
113.14215	0.3
121.02863	1.2
121.10116	0.3
122.03601	0.4
123.04421	0.5
123.08064	1.3
125.09582	1.1
127.07498	0.4
127.11175	1.3
129.73077	0.3
135.04416	0.5
135.08061	0.3
136.05205	0.4
137.02287	0.4
137.09593	1.1
139.07509	0.8
139.11151	0.9
141.09102	1.5
143.10687	0.3
145.02826	0.8
147.04395	1.3
149.09610	1.4
151.07553	1.4
153.09114	1.2
155.10733	1.2
157.08601	17.8
157.52528	0.3
158.08981	0.5
159.04372	0.5
160.05196	1.8
161.05972	0.9
163.03899	1.1
165.09021	0.8
167.10689	0.5
169.08612	2.0
171.10162	9.2
173.06062	0.4
174.03104	1.0
175.03925	4.7
175.07582	1.2
176.04733	2.0
176.06027	0.4
177.01767	0.5
177.05490	0.9
178.06317	0.6
179.03409	0.8
180.04199	0.9
183.10168	5.0
185.08125	0.4
187.09674	9.5
188.04726	0.9
188.09900	0.3
189.05513	1.2
190.06268	4.0
191.07071	4.2
192.04257	0.3
193.04977	0.8
193.08607	0.7
194.05777	0.6
195.06549	0.3
199.09698	0.5
201.11223	3.5
205.01483	0.5
205.08609	2.2
207.06554	0.7
208.07346	3.3
209.11658	0.3
211.09669	0.5
222.08994	0.5
243.17522	0.5
261.18607	2.2
271.10208	0.3
279.19696	1.1
287.16510	0.8
297.20624	0.3
299.09305	0.9
305.17566	1.5
315.21616	0.5
323.18704	2.1
327.08636	0.5
329.14005	2.8
341.19678	8.4
342.19904	0.5
344.12515	0.6
359.15366	6.1
359.20770	100.0
360.15842	0.4
360.21127	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	359.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.9
60.16293	0.3
85.02804	0.3
87.00726	0.3
91.43303	0.3
92.23258	0.2
92.80727	0.3
95.37782	0.3
99.08022	1.4
120.99503	0.3
121.02779	0.3
129.09050	0.7
141.12730	2.0
155.10713	0.4
155.14273	0.5
155.21472	0.3
159.04372	0.4
160.05170	0.9
165.05324	0.3
168.02284	0.3
175.07533	1.0
179.03389	0.8
203.77727	0.3
209.18958	0.5
217.00232	1.2
223.05962	0.3
223.09659	0.4
241.21645	1.1
267.19995	0.3
269.21231	3.2
285.20721	2.1
286.21228	0.5
287.22284	100.0
288.22632	7.4
299.18637	1.1
315.21652	1.9
316.22217	0.4
317.19574	0.6
329.14059	1.8
359.15079	1.1
359.20737	1.0
359.24615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29341	0.3
56.69122	0.3
59.01243	22.3
59.02396	0.6
59.59613	0.3
60.42725	0.3
61.59244	0.4
71.01234	0.5
75.26443	0.3
78.55992	0.5
81.16537	0.4
91.72633	0.7
107.24984	0.4
127.07517	0.4
174.71252	0.4
203.41182	0.7
233.22795	0.7
259.20752	0.5
275.05890	0.4
275.20163	0.5
277.21735	100.0
277.33688	1.0
278.22095	5.5
359.22052	16.5
360.22211	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2231
Annotation	Cannabigerolate
Peak:m/z	Relative Intensity
51.42435	0.2
58.60931	0.2
58.84312	0.2
70.92017	0.2
74.05260	0.5
82.00436	0.5
84.03580	0.4
84.04054	0.5
92.02535	3.8
93.03327	1.3
95.01199	0.8
108.02045	1.8
114.83382	0.2
120.01991	0.5
121.02798	0.3
122.03558	0.3
133.64397	0.3
134.03625	3.0
135.04407	1.2
135.05247	0.2
144.81509	0.2
147.04410	13.1
148.04692	0.2
161.05988	3.8
175.07565	1.2
189.09174	1.7
203.10732	1.0
217.12331	0.6
278.84723	0.3
313.21991	0.5
315.23303	100.0
316.23618	5.0
316.27393	0.2
341.21387	0.6
359.22321	37.2
360.22830	1.7
366.87756	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	359.223
Annotation	Beilschmiedic acid B
Peak:m/z	Relative Intensity
53.74846	0.2
57.03310	1.6
59.01244	0.7
60.44938	0.3
69.03316	0.3
71.04873	0.3
71.17449	0.4
83.04871	0.6
85.05939	0.5
85.06441	6.1
92.02540	1.1
93.03328	0.8
95.58765	0.3
99.08015	0.2
106.04102	5.4
107.04900	4.1
108.02056	0.5
119.04896	15.0
120.05186	0.4
121.02823	7.3
133.06468	4.1
137.02325	0.7
147.08063	0.4
150.03145	0.3
161.09610	0.7
175.11209	0.8
189.12810	0.6
203.14346	2.4
215.14389	0.4
217.15915	7.0
218.16437	0.3
219.13831	1.1
229.15958	4.8
231.17509	23.7
232.17880	1.3
243.17525	18.1
244.17888	1.2
245.19078	5.4
259.16998	0.4
259.20767	0.3
281.19135	0.6
285.19211	0.3
285.22229	0.8
287.23880	1.0
295.20636	1.7
297.22244	17.3
298.22437	1.4
315.20428	0.2
315.23294	17.4
316.23706	1.2
359.22302	100.0
360.22659	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	359.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60805	0.4
55.73458	0.3
57.03305	0.6
84.03594	1.3
84.04128	0.6
84.10154	0.4
85.06458	0.4
90.38204	0.5
92.02506	1.2
98.33537	0.5
104.81371	0.4
106.04086	5.6
107.04914	3.1
108.02029	0.9
111.07989	1.1
119.04895	7.5
121.02830	4.7
127.11146	1.5
128.91998	0.5
133.06445	1.7
134.03601	1.9
142.68283	0.4
147.08072	0.9
161.09596	0.6
175.11194	2.8
187.11168	1.5
189.12784	1.8
203.14351	15.7
204.14685	1.1
205.12268	2.5
217.12288	3.4
217.15915	0.8
219.13914	1.9
231.13892	1.2
231.17622	0.5
233.15427	10.7
235.13335	4.8
243.17441	0.5
245.15450	3.7
247.17039	0.6
261.18539	0.5
266.22513	0.5
279.33929	0.4
287.23926	0.6
291.96893	0.4
297.22275	1.9
315.23294	75.8
316.23602	6.1
359.22305	100.0
360.22641	9.5
372.98547	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16410	0.4
59.37331	0.5
66.46336	0.5
84.03611	1.4
92.02513	1.3
106.04099	4.0
107.04892	1.9
111.19826	0.5
119.04881	5.2
119.05497	0.5
121.02818	3.8
121.47887	0.6
124.46822	0.5
133.06468	1.0
161.09682	0.6
175.11241	1.6
189.12752	3.4
203.14355	1.4
205.12204	0.5
217.12273	2.2
233.15445	24.8
234.15814	1.7
235.13329	7.3
245.15421	7.3
259.20676	1.2
297.22229	1.9
315.10004	0.6
315.23306	66.3
316.23605	5.0
359.22305	100.0
360.22617	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	359.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58137	0.2
57.03322	2.2
58.00461	0.5
59.01240	4.5
66.89650	0.2
69.03329	0.3
71.04887	0.8
76.32935	0.3
81.01981	0.3
83.04883	0.6
83.20327	0.3
85.66599	0.7
85.67074	0.5
94.26342	0.6
95.04865	0.3
97.06442	1.6
108.02030	0.7
111.08027	0.4
121.02885	0.2
123.04403	0.5
123.08028	1.1
125.09589	5.1
127.11163	1.9
135.08043	0.3
135.60027	0.3
137.05971	0.6
137.09607	1.1
139.11157	3.1
140.11449	0.2
141.12691	0.5
143.10654	0.5
153.09108	0.9
153.12726	0.6
155.10657	2.0
165.09113	0.8
169.12328	0.3
171.10202	2.6
174.99112	0.4
175.20683	0.3
177.16473	0.5
183.10196	0.5
193.15892	0.3
194.92757	0.8
194.95525	0.4
201.02431	0.4
201.11185	1.4
206.35326	0.2
217.00243	2.7
217.12411	0.4
235.20555	0.4
245.19456	0.3
247.20647	15.9
248.21074	0.6
253.21748	0.9
263.20200	0.8
265.21738	12.7
266.22101	1.0
273.18579	1.5
281.21176	0.8
283.22754	2.0
291.19687	7.3
292.20026	0.6
307.19217	0.9
309.20709	18.4
310.20999	1.0
327.21783	42.3
328.22150	2.6
328.51108	0.3
357.22836	0.3
359.05618	0.7
359.24411	100.0
360.24750	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	359.244
Annotation	oscr#22
Peak:m/z	Relative Intensity
55.22667	0.2
57.03295	0.7
57.30103	0.3
59.00972	0.4
59.01241	4.9
60.92905	0.3
62.83989	0.8
62.84280	0.5
63.62269	0.2
64.84395	0.4
68.99441	0.4
68.99758	0.3
71.01238	0.3
78.77566	0.3
79.75584	0.3
88.63878	0.2
89.02279	0.6
91.03851	1.2
108.01990	0.3
137.05914	0.6
139.68114	0.2
160.05249	0.4
174.99097	0.5
201.02448	0.6
215.10677	0.4
217.00266	2.5
221.19051	0.7
223.11740	0.8
223.20631	79.5
224.20937	3.6
241.21704	2.0
267.19669	61.7
268.20010	3.1
280.27679	0.3
285.07828	0.8
285.20718	100.0
286.21078	4.8
294.20950	0.3
299.14886	0.4
329.13925	0.6
359.24420	43.3
360.24680	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	359.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60452	1.9
58.65657	2.1
58.70900	2.4
58.99927	2.1
59.00969	3.5
59.01242	43.8
65.75352	2.5
82.43634	2.4
83.60705	2.5
96.28478	2.3
107.20117	2.3
114.28178	2.8
116.88289	2.3
137.06020	4.2
150.03194	3.4
152.91704	3.2
169.51210	2.8
174.99124	8.4
194.95366	3.3
201.02493	3.0
217.00281	31.4
223.20613	70.9
223.22630	4.1
231.06076	2.6
232.58698	2.6
267.19669	53.3
268.19952	4.5
285.20737	100.0
329.13876	7.3
338.46887	3.2
359.24445	50.8
360.25037	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	359.2593
Annotation	Nootkastatin 2
Peak:m/z	Relative Intensity
50.34478	0.2
50.58335	0.3
50.85918	0.2
54.46328	0.2
65.30711	0.3
74.06160	0.3
84.04502	0.9
84.05050	0.6
86.57333	0.3
91.72739	0.4
92.02537	1.8
95.01234	0.4
106.04103	8.5
107.04902	0.6
108.02020	0.8
119.04888	10.9
121.02011	0.5
121.02826	6.3
129.31558	0.2
130.16663	0.3
133.06488	3.8
161.09656	1.4
175.11168	1.0
183.87094	0.3
189.12750	1.3
203.14378	1.1
217.16029	0.5
248.46628	0.3
277.37158	0.3
278.88153	0.5
315.26926	100.0
316.27274	7.2
316.30765	0.5
359.25937	69.0
360.26257	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	361.0204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02265	0.2
52.27680	0.3
53.37122	0.1
59.01243	1.3
69.03310	0.4
71.01223	0.5
72.99170	0.3
73.02816	0.2
79.01743	1.1
81.03334	0.3
85.02789	0.2
87.00748	0.2
89.02283	0.4
91.01745	1.8
91.72769	0.3
93.03312	0.4
95.01240	0.3
96.95860	0.6
97.02818	0.4
101.02286	0.4
106.98086	0.3
107.01247	25.4
107.04089	0.4
108.02029	0.6
109.02811	6.8
109.06420	0.1
109.63913	0.1
111.00739	0.2
113.02306	0.2
119.01261	3.6
119.04926	0.2
121.02840	0.3
123.00749	0.6
123.04389	0.2
124.01549	0.3
125.02322	1.9
125.09602	0.5
135.00758	16.3
135.04462	0.3
136.01424	0.5
137.02335	1.0
137.09624	0.2
138.03105	0.5
139.03876	0.5
147.02907	0.2
147.04404	0.4
153.01823	6.6
154.02135	0.2
161.04457	0.3
162.94200	0.8
163.00266	100.0
163.05606	1.1
164.00613	2.8
165.05470	0.3
171.04462	0.2
175.03893	0.3
178.99776	1.6
179.07072	0.2
181.08617	0.3
186.97514	0.2
187.03799	0.2
187.09679	0.9
189.05464	0.7
201.11279	0.2
206.99298	12.9
207.07039	0.2
207.99724	0.9
227.03439	0.6
240.04240	0.2
241.05026	0.4
243.06567	0.2
255.03015	0.6
257.08118	0.3
267.06717	0.2
268.07275	0.2
271.02505	0.6
273.04199	0.2
273.72992	0.2
283.09778	0.3
295.09848	0.3
298.08289	0.2
299.02292	0.2
313.10666	0.6
315.01459	0.2
331.08087	0.3
343.00897	2.7
343.07870	0.2
344.01239	0.3
360.12473	0.2
361.09091	0.4
361.13080	1.9
361.22366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09634	1.9
54.02119	1.9
55.01748	2.3
59.01243	25.8
59.11263	2.3
61.98707	2.2
63.22660	1.8
64.80491	2.2
67.01736	2.6
69.03278	2.2
71.01230	16.0
72.99163	7.3
73.02798	4.8
74.02330	2.8
81.03315	8.5
85.02803	6.3
87.00250	2.8
87.00715	2.7
89.02276	3.4
91.73363	2.7
93.03326	5.4
93.40738	2.7
95.01244	7.0
101.02298	11.3
105.01795	7.9
107.04890	5.4
108.02052	20.1
109.02826	8.7
109.06458	3.5
111.00704	4.2
113.02315	6.9
121.02839	8.6
123.00751	11.2
123.04374	17.1
124.01530	8.4
125.02297	4.8
134.03635	9.9
135.04398	8.8
136.05164	6.1
137.02328	3.3
138.03111	7.0
139.03902	15.2
140.95815	2.6
147.02884	9.6
147.04503	3.1
150.03127	4.2
151.00244	6.3
152.01054	14.4
153.01807	8.5
153.60620	2.7
161.02347	3.1
161.04414	4.8
162.03114	5.0
163.03958	5.6
163.11182	100.0
164.11552	4.8
165.05464	6.2
165.12692	4.4
166.02605	23.2
166.99803	4.2
167.03403	60.5
168.00548	3.8
168.03802	2.9
182.02144	2.7
183.02800	3.4
184.22060	2.8
191.10764	3.4
193.12315	7.3
195.06531	10.1
197.00784	3.9
207.10260	3.9
209.11838	4.7
219.10236	17.8
237.11311	26.4
251.09204	11.1
273.14734	2.8
281.10410	3.3
297.10028	6.0
317.10229	4.5
317.19586	4.8
325.09268	29.4
360.21118	5.6
361.06812	12.9
361.09299	16.8
361.13431	4.7
361.18512	27.1
361.22003	3.9
372.68155	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	361.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81642	2.1
57.03309	6.5
58.38047	2.2
58.63131	2.2
59.01235	18.8
60.25381	2.6
71.01239	4.2
72.99167	6.6
73.02807	4.9
81.03298	6.1
83.01255	7.4
85.02796	3.0
89.02280	5.2
93.03320	7.3
95.04895	7.4
95.81092	2.7
97.02785	5.0
99.04382	3.0
101.02316	3.3
105.03336	3.4
105.86967	2.8
109.02813	27.8
111.00755	3.7
111.04412	6.9
119.04888	76.6
121.02813	8.8
123.00751	9.4
123.04367	7.1
124.01500	5.6
125.02311	54.4
133.02812	8.4
137.02319	20.0
138.03166	3.2
139.03911	21.0
145.02846	3.0
147.04381	3.0
148.01573	6.5
149.02330	18.3
151.00240	6.6
151.03867	15.9
161.02322	9.2
163.00252	2.6
163.03905	100.0
164.01044	4.4
164.04321	4.0
165.01849	37.6
167.03355	16.0
168.39899	2.9
173.02409	4.8
173.04457	5.3
175.03833	3.8
176.01073	5.1
177.01836	78.7
177.05347	2.8
179.03543	5.4
182.02194	3.1
187.06099	3.7
189.01888	6.1
190.02586	6.2
191.03470	8.6
191.95758	3.0
195.02921	42.3
197.04486	7.6
198.31573	2.9
201.05525	4.2
202.99825	43.3
204.00507	7.9
205.01399	11.7
211.04007	3.8
213.05487	4.5
214.02586	3.1
215.03391	4.9
217.01337	43.5
218.01842	3.8
219.06741	5.1
221.00905	3.2
221.28464	2.5
223.02478	4.1
225.05612	3.5
229.05070	6.2
233.04613	3.4
235.02420	5.5
253.05212	3.7
255.06708	3.7
257.04471	13.2
271.06021	4.8
275.05670	7.6
281.04550	8.2
283.02435	3.6
287.02753	3.3
287.05594	11.9
299.05627	24.7
300.02582	3.8
315.05106	8.0
317.06683	5.0
325.03479	8.9
333.06186	4.1
343.04617	75.5
361.05676	33.4
361.10324	3.7
361.23865	8.8
362.06213	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	361.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	24.6
61.97530	3.7
62.72710	3.4
71.01245	5.2
72.99171	7.5
81.03334	4.5
90.62749	4.0
101.02294	8.1
103.28465	3.8
106.95123	4.4
109.02811	19.0
116.92769	7.5
121.02841	13.8
122.03579	5.3
123.00737	11.5
124.01522	7.1
134.03572	8.1
135.04306	3.6
135.48790	4.0
137.02293	6.0
138.03101	12.3
139.03888	17.3
149.02332	11.0
153.01836	25.6
161.04475	4.4
163.11182	100.0
164.11673	6.6
167.03441	4.2
175.11246	4.1
193.01280	7.0
193.12276	10.7
197.00876	12.6
207.10274	5.8
209.11917	4.2
209.31708	4.1
214.06291	4.2
219.10242	19.4
237.11302	30.9
251.09355	20.3
297.09827	4.7
325.09299	31.8
325.20169	7.8
343.08057	4.4
343.21124	10.3
361.06973	47.7
361.12708	6.7
361.18454	14.3
361.22476	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	361.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01723	0.6
57.03302	2.1
58.32694	1.2
58.32928	0.6
58.99825	0.6
59.00119	0.8
59.01244	41.4
59.02465	0.7
60.01585	0.4
61.98684	1.4
63.27717	0.5
71.00877	1.2
71.01243	15.9
72.99168	5.0
73.02786	1.1
83.01234	1.5
83.04884	18.6
85.02803	4.2
87.00753	1.1
87.04353	0.7
89.02303	15.1
93.03284	0.7
93.06957	6.2
95.01235	1.0
97.02777	0.9
97.06437	0.7
99.00713	0.7
99.08026	1.0
99.50043	0.6
101.02307	11.4
101.05970	1.5
107.04893	0.6
108.67657	0.6
109.02779	0.7
109.06438	1.8
111.00713	0.6
111.04366	5.7
113.02319	5.6
113.05917	0.9
115.03861	0.9
117.03322	0.9
119.03452	5.7
119.04890	26.9
119.08531	19.6
123.04338	1.0
125.02321	1.2
127.03883	8.6
128.03407	1.1
129.05432	1.2
130.08640	0.9
131.03340	0.8
135.04388	1.2
135.08032	3.3
137.02325	1.4
137.09557	0.8
138.01871	4.3
139.02179	2.4
139.03879	1.4
143.03362	0.7
145.02827	3.9
153.09105	1.4
155.06998	2.0
159.02861	1.2
163.03909	55.4
163.07524	9.4
164.04332	1.7
166.25729	0.8
171.02888	1.9
173.04468	1.1
175.11234	0.9
177.01808	0.5
179.05376	0.7
181.08629	19.8
188.70268	0.7
189.11232	4.9
193.12299	5.5
197.02246	1.1
199.09700	22.6
205.04988	0.8
301.16608	5.2
325.09204	2.3
343.04617	0.9
361.07083	7.7
361.15070	100.0
362.15588	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	361.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88660	0.4
57.57168	0.2
59.01244	0.2
61.78468	0.4
63.76943	0.2
65.03839	0.2
69.09617	0.2
71.04219	0.2
71.42741	0.2
72.99157	0.2
85.76060	0.2
91.72775	0.4
93.03311	5.1
101.21300	0.2
107.04894	0.3
108.02045	2.1
109.02806	0.6
121.02818	24.1
122.03605	56.6
122.07133	0.7
123.00737	1.3
123.03830	1.1
124.01527	7.5
135.04381	0.5
136.01540	19.4
136.05136	2.6
137.02379	1.3
137.05948	0.5
138.03078	0.3
139.03889	0.2
149.06013	0.2
149.99490	0.4
152.01015	0.2
153.01810	0.5
154.02565	0.5
163.11203	1.5
165.01834	11.4
165.07333	0.2
166.02614	42.9
166.08211	0.5
167.02951	1.2
168.00525	0.3
168.04141	1.3
179.03421	0.4
180.04190	8.0
181.04791	0.4
193.05008	0.2
198.01627	34.7
199.02046	1.0
212.03215	9.0
219.10210	0.4
226.06361	0.5
237.11290	0.3
242.05963	0.5
251.09334	0.3
257.08136	0.4
258.08966	3.3
273.08228	0.3
273.11325	4.6
273.14240	0.3
285.07681	4.9
286.04941	0.3
286.08011	0.4
301.07132	0.5
302.07980	7.0
303.08011	0.4
304.69073	0.2
317.10306	100.0
318.06805	0.3
318.10657	5.6
325.09344	0.4
361.09375	8.7
362.09729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10466	0.3
59.01236	1.3
61.98679	0.4
62.53282	0.3
67.90913	0.3
71.01242	0.9
72.99162	0.5
80.02536	0.5
81.03307	0.6
89.02291	0.4
91.72712	0.4
93.03268	0.5
98.13195	0.4
99.00704	0.4
101.02290	0.5
107.04920	0.4
108.02030	31.3
109.02829	1.1
117.03248	0.4
121.02824	1.0
123.00690	0.5
123.04388	15.2
123.15752	0.4
134.03610	43.8
135.03874	0.8
137.02361	0.8
138.03119	0.4
139.03894	0.7
147.02893	0.4
147.04442	0.5
149.05968	28.8
150.03107	0.7
150.06282	0.5
152.01038	72.2
152.05901	0.8
153.01535	1.4
163.03963	0.8
163.09846	0.4
163.11182	7.0
165.01855	0.4
165.05421	0.5
166.02727	0.4
166.05899	0.4
167.03397	100.0
167.09035	1.1
167.99081	0.5
168.03752	2.3
178.02602	0.7
181.04922	0.4
189.01816	0.5
190.02737	0.4
193.04985	23.7
193.12187	0.7
194.05289	0.9
207.10219	0.5
219.10185	1.0
237.11255	2.0
246.34677	0.4
251.09253	1.1
299.05603	2.0
308.10971	0.4
325.09372	1.9
360.21005	1.4
361.06760	1.3
361.10150	0.4
361.18625	1.3
361.22385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13308	0.5
56.59769	0.6
59.01243	5.1
65.88858	0.6
71.01231	2.6
72.99165	44.4
73.00848	0.6
73.02793	0.8
75.97071	0.7
83.04887	0.7
84.16299	0.6
89.03806	1.1
93.03322	1.5
99.00768	0.9
101.02279	0.9
103.76140	0.8
105.01807	1.4
105.03316	0.8
108.02032	1.2
109.02825	2.3
117.03336	5.8
119.03468	0.7
119.04894	6.5
120.99528	8.7
121.02831	2.3
122.03596	1.6
123.00729	1.5
123.04395	4.5
124.01466	0.8
133.02805	2.4
134.03641	8.4
134.04640	1.1
135.02911	0.9
135.04399	21.9
136.01602	0.8
137.02325	1.7
138.03073	1.6
139.03908	4.7
147.02859	1.6
147.04402	2.5
148.75787	0.7
149.02341	2.1
150.03114	2.6
151.03903	6.5
151.38919	0.7
153.01854	0.8
161.04396	1.3
162.03111	1.7
163.00298	1.6
163.03889	2.4
177.01866	2.0
177.05566	0.9
178.02594	2.1
179.03426	4.5
195.10066	0.8
201.11183	0.8
203.03490	0.8
225.09190	2.4
237.09175	6.5
239.09308	3.6
240.04237	1.6
240.94154	0.9
253.08757	2.9
255.03181	0.9
269.08319	3.6
269.10858	0.7
281.08185	11.3
287.09341	1.1
297.07764	4.1
298.08582	1.0
299.09326	6.3
313.10764	4.6
315.08704	4.0
317.24924	1.4
325.07181	10.6
343.08179	8.4
343.11871	0.7
361.09320	100.0
361.23581	3.8
362.09668	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	361.0932
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
51.13308	0.5
56.59769	0.6
59.01243	5.1
65.88858	0.6
71.01231	2.6
72.99165	44.4
73.00848	0.6
73.02793	0.8
75.97071	0.7
83.04887	0.7
84.16299	0.6
89.03806	1.1
93.03322	1.5
99.00768	0.9
101.02279	0.9
103.76140	0.8
105.01807	1.4
105.03316	0.8
108.02032	1.2
109.02825	2.3
117.03336	5.8
119.03468	0.7
119.04894	6.5
120.99528	8.7
121.02831	2.3
122.03596	1.6
123.00729	1.5
123.04395	4.5
124.01466	0.8
133.02805	2.4
134.03641	8.4
134.04640	1.1
135.02911	0.9
135.04399	21.9
136.01602	0.8
137.02325	1.7
138.03073	1.6
139.03908	4.7
147.02859	1.6
147.04402	2.5
148.75787	0.7
149.02341	2.1
150.03114	2.6
151.03903	6.5
151.38919	0.7
153.01854	0.8
161.04396	1.3
162.03111	1.7
163.00298	1.6
163.03889	2.4
177.01866	2.0
177.05566	0.9
178.02594	2.1
179.03426	4.5
195.10066	0.8
201.11183	0.8
203.03490	0.8
225.09190	2.4
237.09175	6.5
239.09308	3.6
240.04237	1.6
240.94154	0.9
253.08757	2.9
255.03181	0.9
269.08319	3.6
269.10858	0.7
281.08185	11.3
287.09341	1.1
297.07764	4.1
298.08582	1.0
299.09326	6.3
313.10764	4.6
315.08704	4.0
317.24924	1.4
325.07181	10.6
343.08179	8.4
343.11871	0.7
361.09320	100.0
361.23581	3.8
362.09668	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	361.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68993	0.6
59.01243	16.3
61.98701	1.6
66.46396	0.7
69.55673	0.6
71.01229	1.1
73.02781	2.1
73.55734	1.2
80.04925	4.8
80.59146	0.6
85.02792	0.7
87.00665	0.7
89.02309	1.0
94.06443	0.8
95.03618	0.9
96.08054	0.8
99.04355	1.1
101.02322	1.0
103.04097	1.0
104.04923	15.1
106.06488	1.5
107.04890	2.6
108.04426	0.8
116.08113	0.8
121.05196	5.3
122.05986	11.0
122.09562	0.7
123.03078	1.1
124.03901	1.7
124.07553	6.6
132.04454	3.7
133.05251	0.9
134.03653	3.9
134.05978	1.8
135.04387	3.4
137.09543	0.9
138.05453	1.6
146.04869	0.8
146.06024	1.4
147.04326	0.8
148.03929	85.7
149.04291	2.7
149.05937	1.1
150.05502	2.7
153.04279	0.8
155.10640	4.1
159.05551	0.7
160.03954	1.3
161.04593	1.0
161.07051	0.8
162.05441	1.0
165.05408	1.3
166.08612	0.9
168.06570	2.0
169.08916	0.9
170.09669	1.8
174.01859	2.7
179.03453	5.7
180.03673	0.7
182.06046	6.5
183.06822	3.2
184.06201	1.0
187.05058	1.0
191.95256	0.9
192.02953	66.1
193.03334	2.1
196.07629	2.5
197.08415	1.4
198.07941	1.3
199.08450	1.4
199.09779	2.7
200.07140	1.0
209.04433	1.5
210.09187	1.9
211.08801	2.5
212.10768	52.8
213.10211	9.7
225.06639	8.2
226.07452	12.9
227.08112	1.6
228.10378	0.9
230.11827	2.0
231.11391	5.8
239.08228	4.5
240.08998	9.2
253.09886	1.2
255.11385	100.0
256.11792	4.3
269.11752	1.3
273.12408	7.1
281.09293	2.7
289.20132	2.0
299.10394	18.8
299.17261	0.8
300.10818	1.4
313.10938	2.1
317.11520	3.2
322.20990	0.8
343.09363	86.8
344.09729	4.5
361.10059	27.1
361.22980	1.2
362.10706	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	361.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77758	0.5
53.92570	0.9
55.05550	0.7
58.03043	0.6
59.01244	11.7
61.98708	0.8
62.83728	0.6
69.87868	0.5
71.01258	1.0
73.02832	1.4
73.55774	0.9
75.13542	0.5
80.04911	3.2
83.04882	0.7
84.05276	0.6
87.00730	0.6
89.02335	0.8
93.03350	1.0
94.06501	0.7
95.03642	1.3
95.04927	0.8
101.02319	1.4
104.04922	16.0
106.04126	0.7
106.06484	1.5
107.04887	3.7
108.04436	1.0
113.02316	1.0
120.04445	0.8
121.05232	4.1
122.05986	10.8
123.03185	0.6
124.03933	2.5
124.07536	5.3
132.04437	3.7
134.03604	6.3
134.06004	2.2
135.04440	5.6
137.09654	0.7
138.05499	1.5
142.73389	0.7
146.05989	1.4
147.04414	1.4
148.03928	86.0
148.07571	1.6
148.08615	1.3
149.04341	1.2
150.05464	3.5
153.04199	1.5
155.10678	4.9
160.03896	1.2
161.04659	1.6
165.05467	1.0
165.39928	0.6
166.32785	0.7
168.06564	1.5
169.08859	1.2
170.09685	1.1
174.01979	2.8
178.05051	0.9
179.03415	9.7
182.06058	6.1
183.06876	3.0
184.06242	1.0
184.07695	0.9
187.05029	0.7
187.12288	0.8
192.02951	67.0
193.03262	1.2
193.73759	0.6
195.06827	0.7
196.07597	1.7
197.06944	1.2
197.08449	1.9
198.07861	1.0
199.08408	1.4
199.09807	1.9
200.07182	1.3
209.04518	1.1
210.09126	2.1
211.08702	1.4
212.10776	58.3
213.10208	9.5
225.06628	8.9
226.07428	12.0
227.08179	1.1
228.10193	0.8
229.13535	0.8
230.11790	1.2
231.11377	4.6
237.10278	1.2
239.08299	4.9
240.09013	9.8
245.09195	0.7
253.09816	1.0
255.11391	100.0
256.11728	3.7
257.09338	1.1
269.11942	1.2
273.12497	8.2
281.09210	2.3
289.20142	2.4
299.10379	19.7
300.10703	0.8
301.16498	1.3
313.10892	3.9
317.11295	2.2
343.09372	88.9
343.73566	0.7
344.09570	2.7
361.09882	24.0
361.22253	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	361.1142
Annotation	Procumboside
Peak:m/z	Relative Intensity
58.88126	2.6
59.00970	6.2
59.01244	87.2
59.02594	2.7
61.98697	4.0
63.53489	3.0
68.12061	3.2
70.34306	2.7
71.01241	43.9
72.99152	7.1
73.02807	10.7
74.98989	3.3
75.00723	4.8
83.01241	8.2
85.02808	20.7
87.00738	6.1
89.02297	31.9
93.06937	16.2
94.53149	3.2
95.01235	6.1
98.95501	3.5
99.00762	5.0
101.02298	40.2
109.02811	20.4
113.02291	23.0
119.03358	14.6
121.02824	5.9
123.00745	55.8
124.01534	85.8
125.02267	6.2
127.97029	3.5
137.02391	5.1
137.05948	20.9
138.03094	33.8
139.00256	6.8
139.03888	100.0
140.01045	12.4
143.03400	7.6
153.01822	7.7
153.05457	24.5
155.03384	3.9
161.04433	31.5
163.00279	9.5
167.03468	6.2
181.01355	5.8
181.05058	5.9
182.99278	7.1
198.01588	4.1
199.02307	6.1
199.05896	3.7
299.23697	4.1
301.09229	20.5
317.12421	10.2
317.24875	5.2
361.07312	19.3
361.11505	74.2
361.23715	15.8
361.32312	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	361.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72302	0.1
55.95633	0.1
59.01245	2.7
63.02266	0.3
66.94809	0.1
71.01238	2.9
71.01594	0.2
73.02798	1.0
73.57085	0.1
74.02345	0.1
81.65253	0.2
83.01237	0.3
85.02812	1.5
89.02292	0.3
95.01228	0.2
95.04868	0.2
96.02037	0.6
96.95874	0.2
97.02834	0.4
99.00750	0.3
101.02308	1.9
107.01267	0.2
108.02051	0.2
109.02812	0.3
113.02303	1.5
121.02871	0.2
123.00739	0.9
123.98116	0.4
124.01534	31.6
124.05360	0.4
124.25129	0.1
125.01875	0.4
130.06480	0.7
137.02280	0.2
138.03093	1.0
138.99881	1.0
139.03891	100.0
139.08522	0.9
140.04231	2.4
143.03441	0.3
153.05550	0.2
154.05760	0.2
157.39992	0.1
159.02916	0.6
161.04448	5.3
163.03915	0.5
166.99821	0.2
178.99762	0.5
181.05006	0.2
182.02113	0.5
183.02470	0.3
184.02594	0.3
197.04517	0.8
198.04849	0.5
199.04936	0.8
206.99252	0.5
301.05060	1.5
301.09271	3.3
361.11511	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	361.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92548	0.4
55.86646	0.5
59.01244	2.6
59.62510	0.4
60.11551	0.5
61.98712	0.5
69.03436	0.4
71.01266	0.7
72.84172	0.6
77.24130	0.5
81.63431	0.5
83.14547	0.5
87.00725	0.7
91.05402	1.0
101.03830	1.3
103.05399	1.0
105.03369	0.7
107.04870	0.5
108.02039	1.3
117.03339	1.0
119.04895	13.8
121.02827	1.0
122.03599	0.6
123.04450	0.7
129.03337	14.8
130.04160	4.0
134.03618	16.2
135.04420	4.7
139.89677	0.7
144.02069	0.6
145.02852	5.1
146.03618	27.8
146.99446	1.0
147.04402	89.8
148.04758	2.6
149.05963	31.8
150.03140	3.2
150.06308	1.0
161.05975	12.2
162.06335	0.7
163.03906	15.4
164.04684	42.7
165.05469	100.0
166.05762	3.6
173.04538	0.5
173.06026	1.2
176.71625	0.6
177.05568	0.7
179.07047	67.6
180.07416	3.3
187.09625	0.7
191.07018	0.7
195.06558	1.5
219.06578	12.1
295.10022	0.6
313.10776	6.4
314.11316	0.7
325.10815	6.6
343.12097	0.9
361.23242	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	1.2
58.00448	0.7
58.32670	1.5
58.32918	0.7
58.52810	0.5
59.00111	0.8
59.01244	43.1
59.02493	0.7
61.98682	1.0
65.30048	0.5
68.86526	0.6
70.89641	0.7
71.01237	17.6
72.99168	14.7
73.02795	0.6
75.73055	0.5
78.40359	0.6
79.71509	0.6
83.01263	1.2
83.04878	9.6
85.02802	5.3
87.00747	1.2
89.02299	20.6
93.03284	0.8
95.01231	1.5
99.08014	0.8
101.02298	12.1
111.04376	1.5
113.02295	7.5
119.03525	7.6
119.04892	62.6
119.08525	17.7
120.05182	1.0
121.49990	0.6
127.03897	4.1
135.08017	1.0
137.09607	1.3
148.03894	1.5
149.04411	0.9
159.02885	0.8
163.03906	83.7
163.07539	50.6
164.04228	2.4
164.07829	1.2
171.02824	1.3
173.04480	0.8
174.13144	0.7
181.08620	43.1
192.02950	1.1
193.12285	3.8
193.48544	0.8
199.09685	2.7
233.07007	0.8
280.88754	0.7
325.09283	7.9
361.15073	100.0
362.15457	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	361.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02287	0.5
55.88078	0.4
57.03316	31.4
58.00444	0.5
59.01241	49.2
59.02440	0.8
60.53165	0.4
61.98682	1.2
62.06561	0.6
67.05386	3.9
71.01240	21.1
71.02843	0.4
72.99158	2.9
73.02805	1.4
80.22820	0.4
83.01239	1.8
83.04874	3.3
83.15510	0.5
85.02807	11.9
87.00705	0.8
89.02300	21.9
95.01214	1.2
95.04905	1.5
99.00774	0.6
101.02303	14.9
111.04376	53.8
112.04707	1.3
113.02309	8.2
119.03364	9.4
119.08551	2.9
123.04385	15.2
124.04700	0.6
131.03410	0.8
137.09563	2.4
143.03352	1.1
148.03952	1.2
157.05582	0.7
161.04433	1.5
166.25748	1.1
179.05479	1.2
180.58224	0.6
181.01424	0.7
181.08612	59.0
182.08972	2.2
192.02965	0.8
199.09679	16.7
205.18240	0.6
212.10817	1.0
232.09137	0.5
241.10869	0.8
255.11366	1.9
267.93903	0.5
339.57059	0.6
343.09344	1.5
361.15067	100.0
362.15384	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	361.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20761	0.8
55.01753	1.3
57.03312	3.5
57.89841	0.8
58.00450	2.1
59.01243	100.0
59.02412	2.1
67.01749	0.9
68.99690	0.8
69.03314	1.5
70.99514	1.4
71.01241	89.6
71.02793	1.3
72.99166	5.7
73.02807	40.3
73.04418	1.0
75.00735	1.5
77.43084	0.8
81.03326	1.4
82.06690	0.8
83.01244	11.9
83.04877	50.9
84.05203	1.1
84.14912	0.8
85.02289	1.9
85.02807	37.1
85.04832	1.1
87.00723	4.7
89.02298	52.4
95.01236	5.4
97.02824	3.7
99.00745	9.2
99.04349	1.0
99.08021	2.4
101.02305	87.7
101.04943	1.7
101.05956	2.3
102.02631	1.9
107.04908	1.8
107.31190	0.8
109.02831	2.7
109.06488	1.3
111.04377	8.4
113.02309	41.1
113.63641	1.0
114.02597	0.8
115.03903	3.0
118.08488	1.0
119.03371	22.7
123.00787	0.9
124.01577	1.6
125.02329	2.6
125.05946	1.8
127.03883	22.4
127.04816	1.2
129.01761	1.5
131.03412	1.6
135.04428	3.0
136.01501	1.1
137.09595	1.9
138.03104	1.1
139.03940	1.8
143.03368	7.0
149.04491	1.3
153.01833	1.1
153.05482	1.3
153.09032	1.1
155.10715	2.6
159.02882	10.3
161.04453	63.5
163.03835	0.9
166.25807	0.9
171.02922	4.8
173.04459	1.0
175.11246	2.9
179.05534	4.7
181.08685	2.5
181.12285	1.9
193.04903	0.9
193.12285	15.4
197.04553	3.0
199.09692	1.9
215.01930	1.9
229.23831	1.4
232.06155	0.9
241.12691	1.2
255.12581	1.6
273.04410	1.0
299.11475	1.0
317.16055	42.4
318.16577	2.7
343.10638	1.1
361.15149	82.8
362.15472	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	361.1659
Annotation	Sauriol A
Peak:m/z	Relative Intensity
53.45013	0.2
58.75753	0.5
59.01243	1.4
60.14054	0.2
65.93301	0.2
66.96461	0.2
71.01223	0.4
73.02824	0.2
73.14585	0.2
84.38786	0.2
93.03313	3.4
103.05392	0.2
108.02031	0.9
109.02818	6.7
111.04370	0.4
119.04906	0.9
121.02823	29.2
122.03611	24.4
122.07383	0.3
123.04422	2.8
124.01526	0.7
129.03333	1.4
134.03622	0.9
135.04393	2.2
136.01439	0.3
136.05196	1.9
137.02333	1.7
137.84575	0.2
146.03624	1.6
147.04408	9.9
148.05173	1.0
149.05974	2.1
150.03049	0.4
154.02631	1.2
156.16783	0.3
159.04428	0.8
160.05182	0.5
161.05981	4.6
162.06758	0.7
163.03923	0.4
164.04625	1.1
165.05473	34.1
166.05803	1.0
166.24059	0.2
168.04117	0.3
168.27609	0.2
173.05949	0.5
175.07555	0.6
176.08205	0.3
177.05573	0.4
178.06302	1.6
179.07051	12.7
180.07393	0.5
191.07059	0.8
193.08652	0.4
199.13286	0.3
205.08514	0.3
208.07402	0.4
209.08116	1.5
219.02875	0.2
220.54961	0.3
223.09662	1.6
248.22539	0.2
255.02924	0.3
261.14557	0.2
273.15134	0.3
284.03223	0.4
285.11212	0.4
297.11331	0.3
298.12192	1.2
299.12573	0.3
301.10809	0.7
312.57724	0.3
313.14435	1.6
314.66452	0.2
315.12399	3.6
316.13007	0.6
324.85602	0.2
328.17224	0.2
331.15546	0.5
343.15701	0.3
345.13477	0.4
346.14224	10.7
347.14505	0.7
361.16565	100.0
362.16895	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	361.166
Annotation	Gibberellin A19
Peak:m/z	Relative Intensity
55.01751	2.3
58.63868	1.4
59.01243	9.4
61.98689	1.8
69.03304	2.0
71.04875	13.0
73.02808	2.2
75.52717	1.6
81.03322	2.6
83.04870	4.5
85.15216	1.8
91.72684	3.5
97.02803	2.4
97.06446	6.9
107.04883	7.7
108.02001	2.3
109.02815	2.9
111.04344	4.7
121.02808	6.0
121.06451	2.1
123.00739	4.4
123.04379	11.8
124.01536	3.9
125.02328	20.1
132.05679	2.4
133.06436	2.1
134.03618	2.5
139.03877	7.1
140.59953	2.0
145.06496	3.0
147.08032	5.4
149.05951	4.0
153.09097	2.5
161.13303	2.4
163.11188	11.0
165.09143	6.3
167.07104	2.5
171.08006	2.7
173.06059	2.3
174.06792	2.1
177.05504	2.6
177.12814	2.2
178.00932	1.8
185.05965	2.1
187.07486	2.8
189.09166	2.0
189.12775	14.9
191.07024	7.3
191.10692	6.4
191.14323	3.8
193.12296	2.6
199.07545	2.4
201.05527	2.3
201.12849	4.9
213.09167	2.3
215.07004	2.0
215.10666	4.9
215.14363	3.2
217.00314	3.3
217.12288	10.5
217.15906	6.4
219.75398	2.1
229.15808	2.7
235.13379	2.0
241.08685	3.9
242.09476	2.7
243.17656	4.4
245.15509	9.0
247.16934	2.4
253.16071	2.8
255.17532	24.9
256.17688	2.3
261.14966	4.1
269.15323	1.9
271.13699	4.1
271.17096	15.9
273.15472	3.1
273.18585	27.4
274.18982	2.2
275.16641	3.1
281.15536	6.3
287.16577	3.3
289.18152	18.0
297.15094	7.9
299.13098	4.1
299.16528	72.9
299.23788	2.8
300.16888	3.7
315.16068	32.7
316.16553	2.1
317.17593	43.4
317.24884	5.8
318.17807	4.2
333.16962	4.1
343.15530	86.4
344.15833	7.4
361.12833	5.4
361.16620	100.0
361.23358	10.8
362.16995	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	361.1661
Annotation	Gibberellin A115
Peak:m/z	Relative Intensity
59.01228	10.2
61.98680	1.9
69.03308	2.2
73.02806	3.3
83.04888	3.5
85.18839	2.6
97.69663	2.4
108.02032	46.3
113.02306	7.5
119.04884	2.8
123.00761	4.1
125.02321	9.2
133.06499	3.1
137.09578	2.8
138.03120	3.2
139.03873	7.5
149.05943	2.6
151.00252	5.5
152.01082	4.5
159.18079	2.3
160.51718	2.4
163.11209	6.4
165.09120	21.3
166.02588	3.3
167.03445	5.0
167.07109	3.1
171.07933	2.5
177.05530	3.1
191.10706	8.1
191.14363	5.3
195.06615	7.2
197.09715	3.7
199.11261	2.9
217.00409	2.6
245.15558	4.1
253.16029	3.0
255.17549	45.4
271.13406	2.8
271.17392	3.0
281.15332	4.6
297.11334	15.8
299.16556	36.1
317.17566	11.4
319.15536	3.6
325.14505	8.9
343.15506	38.6
361.12219	5.9
361.16614	100.0
361.23755	5.8
362.16946	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	361.187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89717	0.5
55.01741	2.5
57.03306	2.1
59.01242	42.6
59.02459	0.8
60.01532	0.6
69.03290	0.7
71.01237	33.8
72.99156	2.8
73.02399	0.9
73.02802	17.1
74.75008	0.6
75.00713	0.6
76.84973	0.6
81.03331	0.8
82.87885	0.5
83.01238	12.2
83.01705	1.3
84.52878	0.7
85.02293	1.2
85.02807	23.4
85.99931	1.8
87.00746	2.9
89.02285	7.6
91.73264	1.2
95.01245	2.3
99.00713	7.0
101.02300	46.0
101.05084	0.9
101.22002	0.6
105.01749	0.7
109.02812	1.5
111.00739	1.9
111.01608	0.6
113.02304	18.1
114.02647	0.9
119.03348	2.8
121.02776	1.3
123.00723	1.9
123.04355	1.0
124.01560	1.1
125.02299	0.9
131.03357	0.8
139.03842	1.5
143.03363	1.7
150.03093	0.8
152.01006	1.0
153.01772	1.3
159.02919	3.6
161.04436	14.5
162.04720	0.8
163.11183	11.3
166.24579	0.9
166.99802	1.4
167.03461	0.9
168.00543	1.5
181.01338	1.8
181.12286	1.4
182.02054	1.0
183.02924	1.3
189.51381	0.7
193.12358	0.9
195.06499	1.2
197.00890	0.7
211.53227	0.7
219.10286	2.0
225.14957	1.0
229.21782	0.9
237.11278	2.6
239.42729	0.7
251.09180	1.3
293.05130	0.7
317.19693	14.0
318.20172	1.1
325.09430	3.2
361.06979	3.0
361.18704	100.0
362.19061	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	361.187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89717	0.5
55.01741	2.5
57.03306	2.1
59.01242	42.6
59.02459	0.8
60.01532	0.6
69.03290	0.7
71.01237	33.8
72.99156	2.8
73.02399	0.9
73.02802	17.1
74.75008	0.6
75.00713	0.6
76.84973	0.6
81.03331	0.8
82.87885	0.5
83.01238	12.2
83.01705	1.3
84.52878	0.7
85.02293	1.2
85.02807	23.4
85.99931	1.8
87.00746	2.9
89.02285	7.6
91.73264	1.2
95.01245	2.3
99.00713	7.0
101.02300	46.0
101.05084	0.9
101.22002	0.6
105.01749	0.7
109.02812	1.5
111.00739	1.9
111.01608	0.6
113.02304	18.1
114.02647	0.9
119.03348	2.8
121.02776	1.3
123.00723	1.9
123.04355	1.0
124.01560	1.1
125.02299	0.9
131.03357	0.8
139.03842	1.5
143.03363	1.7
150.03093	0.8
152.01006	1.0
153.01772	1.3
159.02919	3.6
161.04436	14.5
162.04720	0.8
163.11183	11.3
166.24579	0.9
166.99802	1.4
167.03461	0.9
168.00543	1.5
181.01338	1.8
181.12286	1.4
182.02054	1.0
183.02924	1.3
189.51381	0.7
193.12358	0.9
195.06499	1.2
197.00890	0.7
211.53227	0.7
219.10286	2.0
225.14957	1.0
229.21782	0.9
237.11278	2.6
239.42729	0.7
251.09180	1.3
293.05130	0.7
317.19693	14.0
318.20172	1.1
325.09430	3.2
361.06979	3.0
361.18704	100.0
362.19061	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	361.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00979	1.4
59.01243	17.9
63.53137	0.7
71.62952	0.8
74.33162	0.8
78.84722	0.8
79.07490	0.8
80.57410	0.8
96.94338	0.8
122.03614	10.6
135.04388	8.1
137.02327	1.3
149.05898	1.4
154.02548	1.2
163.11172	2.1
174.52689	0.9
183.18689	1.0
216.97604	0.9
279.23297	100.0
280.23773	4.3
303.23264	3.8
317.24863	37.8
318.25189	2.0
361.19254	3.6
361.23730	52.4
362.24097	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	361.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53401	0.2
55.04293	0.2
57.22684	0.2
59.01242	17.3
59.02435	0.3
62.08252	0.4
62.30809	0.2
72.33733	0.2
78.02733	0.2
79.07051	0.4
79.07420	0.3
79.37686	0.2
91.72727	0.3
101.67184	0.3
103.42474	0.3
104.63525	0.2
106.04076	0.9
107.04865	0.7
108.02010	0.5
119.04844	0.9
121.02831	1.7
122.03542	0.7
130.04120	0.6
133.06403	0.5
135.04399	0.5
160.69389	0.3
189.12987	0.3
203.14348	0.9
219.13811	0.7
222.27939	0.4
231.17500	0.6
247.16895	0.5
261.22324	0.3
279.23294	100.0
279.35895	0.8
280.23630	5.9
299.23779	3.9
300.23819	0.3
317.24860	12.8
318.25204	1.1
361.23730	32.4
362.24078	2.2
382.75095	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77029	0.3
51.96409	0.4
57.03319	0.6
57.40054	0.3
65.03831	2.3
65.04102	0.4
67.47116	0.4
69.73660	0.4
79.01752	0.6
81.03310	1.1
83.04860	1.0
84.54192	0.6
85.72993	0.4
91.73369	0.4
93.03319	7.2
93.05399	0.4
94.42250	0.4
95.04886	0.8
106.04112	1.3
107.01863	0.7
107.04887	47.3
108.02026	1.2
108.05190	0.7
109.02792	1.3
111.04359	0.7
119.04897	5.0
121.02826	9.3
122.03678	0.5
127.82912	0.4
133.06306	0.4
134.03604	0.6
135.04385	0.5
138.81783	0.4
143.04906	0.9
161.05998	3.7
167.24460	0.5
183.50383	0.4
197.19011	3.1
203.14442	0.9
219.13811	1.1
231.17412	0.6
247.17123	0.6
265.93243	0.5
280.85974	0.4
299.23828	11.9
300.24106	0.9
315.23285	0.5
317.24863	35.7
318.25180	2.3
343.26495	2.5
361.23874	100.0
362.24197	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	361.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36840	0.3
60.56509	0.3
65.74002	0.3
66.16143	0.3
67.09695	0.3
68.78011	0.3
80.26488	0.4
82.01172	0.5
84.54154	0.8
92.02534	1.1
93.02836	0.3
95.08810	0.3
96.68831	0.4
99.35751	0.3
106.04089	5.5
107.04878	0.8
108.02012	0.5
119.04089	0.5
119.04895	7.6
121.02824	4.8
133.06447	2.3
143.56639	0.4
151.03833	0.3
153.49538	0.4
161.09607	0.8
167.62964	0.4
175.11220	1.0
189.12741	0.8
231.17548	1.1
245.19093	5.0
247.17038	2.0
259.20657	7.5
271.20700	1.0
273.22226	0.4
287.23801	22.4
288.24051	1.1
297.22287	0.7
299.23813	20.7
300.24158	1.4
315.23267	9.4
315.26874	0.4
316.23547	0.5
317.24857	47.0
318.25256	1.5
361.23874	100.0
362.24164	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	361.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40421	0.9
59.00931	0.9
59.01229	4.1
63.08130	0.9
64.45388	0.9
76.08508	0.9
78.57479	1.0
84.70902	0.9
90.37971	0.9
91.73294	1.3
92.02470	0.9
106.04111	3.3
107.04892	1.3
119.04902	8.7
121.02818	5.8
133.06496	2.5
163.11192	2.3
219.17499	1.5
231.17513	25.7
247.17007	17.7
299.23822	47.0
300.24036	2.3
315.23111	5.4
317.24945	15.6
326.24756	1.0
361.23886	100.0
362.24222	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	361.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98254	0.4
59.01238	1.0
61.71412	0.4
62.02555	0.5
66.33929	0.5
67.08338	0.4
69.25110	0.6
82.01213	0.9
82.01599	0.6
92.02552	0.8
104.01086	0.4
106.04111	3.6
107.04893	2.5
108.02016	0.7
113.09572	1.5
119.04889	8.5
121.02811	5.9
133.06480	1.2
137.02287	0.5
139.03865	0.5
147.08098	0.5
161.09637	0.6
163.11220	0.8
175.11189	0.6
181.05026	0.5
191.14320	2.1
203.14354	19.6
219.13857	21.9
231.13911	0.6
233.15515	1.0
245.15295	0.6
269.18747	0.5
299.23810	45.5
300.24121	2.9
315.23248	5.7
317.24841	18.1
318.25565	0.6
361.23874	100.0
362.24124	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96819	0.3
84.54118	1.2
84.54675	0.5
89.60822	0.3
93.03293	1.2
108.02034	17.1
108.05265	0.4
121.02824	25.1
122.03617	8.9
123.04345	0.9
134.03586	2.3
135.04358	1.5
152.01065	2.7
176.51378	0.4
202.85435	0.4
217.14085	0.4
218.12900	0.4
232.14610	0.3
233.89769	0.3
246.16287	1.0
256.01874	0.3
260.17706	0.6
274.19266	0.5
280.81924	0.6
285.28525	0.4
288.21005	0.5
299.23746	0.4
315.23108	0.4
316.24088	15.9
317.10361	0.9
317.24869	100.0
318.25143	1.5
349.23831	0.8
359.34003	0.4
361.23889	83.9
362.24338	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01348	0.2
54.88574	0.2
70.20676	0.2
74.55247	0.4
84.54133	0.8
84.54687	0.4
92.02522	1.5
99.07997	0.9
106.03407	0.4
106.04107	8.1
107.04855	0.9
108.02007	0.8
111.08004	0.3
119.04894	3.8
121.02813	5.6
133.06444	0.7
175.11194	0.5
189.12747	0.8
203.14397	0.7
205.15919	0.5
217.15935	0.7
231.17471	0.8
275.20178	0.9
280.82141	0.3
289.21539	0.2
299.23849	1.3
301.21478	0.3
315.23282	1.2
317.24866	100.0
317.39603	0.9
318.25192	3.8
361.23880	74.7
362.24249	3.3
379.95642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03295	0.5
62.10057	0.3
71.87117	0.2
74.55238	0.3
84.54115	1.0
84.54660	0.5
92.02522	1.7
106.03421	0.4
106.04106	7.3
107.04887	1.4
108.02046	0.6
119.04897	4.6
120.15187	0.3
121.02822	5.2
122.77153	0.2
133.06430	0.8
137.02257	0.3
141.12706	0.8
161.09538	0.4
163.11122	0.8
175.11139	1.1
189.12773	0.5
204.06123	0.2
231.17493	0.8
233.15410	2.1
245.15388	0.7
247.16905	1.3
250.34569	0.3
280.82162	0.4
299.23801	3.5
305.91898	0.3
309.56262	0.3
315.23233	1.4
317.09927	0.9
317.24857	100.0
318.25180	9.1
361.23871	81.3
362.24194	6.5
375.14529	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27143	0.3
79.05408	0.4
81.03317	4.2
84.54154	1.4
84.54694	0.5
96.68761	0.4
106.04124	0.9
107.04942	0.4
108.02071	1.1
113.74145	0.3
119.04906	1.6
120.17116	0.4
121.02831	1.2
122.03603	3.1
135.04381	2.4
147.04424	0.8
149.06006	1.2
203.14368	1.0
219.13893	1.2
230.58159	0.4
247.17233	0.8
275.23816	9.6
276.24124	0.7
299.23849	3.1
315.23288	1.4
316.23489	3.2
317.24841	84.8
318.25208	6.0
340.54333	0.4
360.22699	0.8
361.23865	100.0
362.24216	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	361.2387
Annotation	Aglatomin B
Peak:m/z	Relative Intensity
51.30829	0.3
51.58488	0.3
66.97757	0.4
83.26328	0.5
84.54124	1.2
84.54679	0.9
96.41479	0.4
107.21022	0.5
108.01988	0.5
116.47979	0.3
116.52768	0.4
121.02800	0.7
122.03604	33.9
122.07090	0.5
124.01479	1.0
135.04401	17.5
136.01547	0.5
137.02330	1.3
149.06009	3.2
150.43143	0.5
154.02579	1.0
177.09129	0.8
180.75851	0.4
191.10677	1.5
199.21729	0.4
235.13115	0.4
280.82123	0.5
283.92014	0.4
301.65756	0.4
317.24869	100.0
318.25266	4.0
361.23886	91.0
362.24149	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	361.2386
Annotation	Aglatomin B
Peak:m/z	Relative Intensity
53.93210	0.3
65.03823	2.0
79.05376	0.6
79.15022	0.3
81.03300	0.9
83.04900	0.7
84.54169	1.0
84.54628	0.7
90.63626	0.4
93.03316	10.9
95.04881	0.9
107.02171	0.8
107.04887	48.5
108.02039	1.4
108.05212	0.5
109.02795	1.3
109.95650	0.4
111.04392	1.1
113.63221	0.4
115.31557	0.4
121.02827	7.9
122.03619	0.9
135.04317	0.6
146.01120	0.4
174.02930	0.5
199.56384	0.4
209.19043	2.6
227.20126	0.7
238.73570	0.4
254.56874	0.4
257.35376	0.4
286.37344	0.4
299.23764	0.6
308.15106	0.4
317.24872	42.8
318.25085	2.7
334.41290	0.4
343.22839	2.7
361.23877	100.0
362.24133	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	361.2386
Annotation	Aglatomin B
Peak:m/z	Relative Intensity
51.30824	0.2
54.50711	0.2
62.42763	0.2
65.62102	0.2
65.91778	0.2
77.37725	0.2
84.54128	0.8
84.54678	0.6
96.68676	0.2
108.01999	0.8
121.02811	0.4
122.03602	32.0
122.07033	0.5
123.03858	0.6
124.01502	0.6
135.04391	16.2
136.01488	0.3
136.04688	0.5
137.02333	1.4
149.05969	3.2
154.02646	1.6
177.09128	1.1
182.16441	0.2
188.50964	0.3
191.10680	1.4
199.21767	0.3
199.70279	0.3
205.12273	0.4
219.13770	0.5
246.16428	0.4
315.23569	0.4
317.24854	100.0
318.25217	6.4
361.23868	94.3
362.24225	8.1
381.06583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2751
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
50.63028	0.1
74.56113	0.4
82.00397	0.2
84.55046	0.5
84.55560	0.4
87.57433	0.2
92.02531	2.0
95.01198	0.3
106.04104	8.4
107.04925	1.1
108.01969	0.8
109.02756	0.2
117.59057	0.2
119.04117	0.3
119.04881	3.4
120.01900	0.2
121.02822	9.1
122.03551	0.3
133.06453	1.0
136.01523	0.2
137.02254	0.6
161.09537	0.4
175.11267	0.5
189.12682	0.5
193.81680	0.2
203.14314	0.9
217.15907	0.5
231.17609	0.4
250.37936	0.3
265.19711	0.2
274.20282	0.2
280.85431	0.3
287.23758	0.3
299.23734	0.6
301.25580	0.2
317.28485	100.0
318.25079	0.5
318.28824	7.2
361.24020	2.7
361.27521	63.1
362.24136	0.2
362.27856	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	363.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54611	0.3
59.01237	0.9
61.86975	0.2
62.93346	0.3
69.03336	0.4
71.01237	12.7
72.99165	2.9
73.02790	0.5
78.70770	0.3
78.95760	1.2
81.03308	0.3
85.02806	2.8
87.00735	2.2
89.02293	2.4
93.03317	1.4
99.00706	0.5
108.30672	0.3
109.02802	0.9
111.00752	1.8
111.04360	0.4
115.00233	38.6
115.03786	0.4
116.00571	0.5
127.00179	0.4
127.03870	1.4
132.02930	0.4
132.97397	1.2
133.01300	100.0
133.05730	0.7
134.01631	1.5
153.01753	0.4
171.00517	0.4
171.02876	2.2
173.04475	0.7
189.03986	0.7
191.01906	1.4
191.05537	28.0
192.05853	1.1
231.03555	0.5
265.99081	0.3
338.39850	0.3
344.97421	0.6
345.08063	0.6
363.03226	2.3
363.09503	1.1
383.71127	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01546	0.5
55.01751	5.5
57.03304	2.8
58.02842	0.6
59.01244	13.2
59.01530	0.5
59.07892	0.5
64.79047	0.5
67.01738	2.7
68.47643	0.5
68.99667	2.4
69.03304	5.9
71.01237	21.9
72.99153	3.0
73.02801	2.3
75.00719	3.1
78.95757	5.1
81.03300	2.0
83.01242	16.9
83.04882	5.0
85.02806	11.7
87.00730	15.4
88.03917	0.7
89.02288	3.0
93.03321	3.4
95.01234	2.7
95.04871	0.6
96.95890	4.0
96.96819	8.5
96.99167	2.5
97.02806	1.1
99.00732	3.4
99.04388	1.7
101.02306	4.9
103.03870	2.8
109.02819	2.0
109.06451	8.6
111.00743	9.4
111.04406	3.2
112.98668	0.7
113.02312	5.9
114.01823	1.6
115.00237	48.7
115.03812	0.8
116.00542	0.8
116.07070	0.7
117.01797	1.5
119.03360	2.5
123.00697	1.0
124.98672	2.7
125.02324	2.1
125.05970	2.3
127.00246	10.8
127.01919	1.3
127.03869	1.7
127.05594	0.8
128.03383	1.0
129.01828	5.9
135.02866	3.0
137.02367	1.6
139.00273	4.7
141.01843	1.2
142.99767	3.7
143.03412	0.9
143.04433	0.9
145.01372	1.2
145.04926	1.1
146.47993	0.7
147.02902	2.0
153.01851	0.9
154.99750	100.0
155.03352	2.4
156.00111	2.5
157.01312	2.7
159.02841	1.2
160.06035	6.7
169.01379	1.4
171.02907	6.7
173.00827	1.9
173.04460	6.0
174.03928	1.1
175.02390	60.4
175.08755	0.8
189.07600	65.2
190.08044	1.2
191.05519	4.1
199.02420	1.4
199.04099	1.5
200.02036	1.2
204.38022	0.7
207.03308	0.7
207.04999	4.1
217.05249	6.3
231.06738	1.5
243.01434	3.8
264.29321	0.7
265.09293	16.4
299.70959	0.7
301.07373	1.6
345.10043	0.9
363.07187	1.8
363.11118	29.3
364.11462	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13174	0.4
59.01264	2.1
61.37580	0.5
71.01262	1.5
74.10142	0.5
80.02571	0.5
87.00774	0.7
89.02312	0.6
91.01767	2.4
93.03316	11.3
93.03902	0.7
95.04880	0.9
101.02305	1.4
105.03275	0.6
108.02030	19.6
109.02831	5.2
110.21217	0.6
113.00502	0.5
120.99525	1.5
121.02818	18.4
122.03609	13.3
123.00764	0.7
123.04391	14.3
133.02815	0.9
136.01463	1.2
147.04417	0.7
149.02328	38.4
150.03114	98.1
151.03835	2.9
152.01039	43.6
153.01855	8.2
164.04660	9.4
165.05467	100.0
166.05832	2.2
167.03400	75.2
168.03716	1.6
180.04205	5.8
181.04909	0.9
183.10149	0.8
195.06552	49.5
196.05168	0.8
196.06931	1.7
201.11307	1.2
208.05347	0.9
209.00858	4.6
213.05440	1.0
224.04672	1.3
225.05437	0.6
227.07146	0.6
241.05031	1.3
248.11273	0.6
256.07397	14.5
259.06024	0.8
271.06296	1.0
271.09698	4.3
272.06650	0.7
300.06335	1.2
315.08771	41.2
316.09195	2.5
358.62073	0.5
363.10889	2.3
363.16486	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	363.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44770	1.0
52.94884	0.9
57.03308	3.1
59.00180	1.2
59.01242	69.9
59.02438	1.2
71.01244	20.5
72.99162	1.7
73.02803	5.0
83.01212	2.1
85.02803	5.1
85.06427	2.6
87.00743	1.9
89.02294	15.0
95.08521	3.0
96.95867	5.7
98.19776	1.3
101.02306	17.2
109.02802	1.8
111.04383	2.6
113.02307	8.9
115.07282	1.3
119.03345	6.6
122.16051	1.2
125.02246	1.4
130.48515	1.2
133.61324	1.5
135.04349	2.5
142.26541	1.4
144.77980	1.2
147.33145	1.3
152.01143	1.7
152.98517	1.3
153.01749	2.2
161.04446	3.4
165.12756	10.2
165.63152	1.5
173.04478	4.7
179.03354	2.1
179.05551	2.6
183.10155	10.9
201.11203	1.8
209.11862	3.6
283.11798	1.6
362.96240	1.6
363.07672	22.4
363.12354	5.5
363.16617	100.0
364.17160	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	363.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14965	3.9
55.80721	4.2
56.11973	4.4
59.01242	26.7
62.22593	4.7
71.01233	10.6
72.99182	4.6
77.27651	5.2
89.02283	6.2
96.95877	33.0
100.79008	5.3
101.02326	5.7
106.04794	5.0
108.02052	5.6
123.04388	5.0
135.04430	11.2
150.03145	5.5
151.00302	8.3
151.03914	7.1
152.01013	6.7
159.04410	7.9
166.02536	6.1
179.03401	15.8
195.06499	6.3
197.98021	6.5
203.12814	11.1
315.08447	7.9
345.13644	8.0
363.07498	25.5
363.12042	100.0
363.23773	8.9
364.11981	9.4
383.85458	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	Unknow
Peak:m/z	Relative Intensity
59.00106	0.3
59.01247	4.5
61.98709	1.0
71.01244	2.7
74.66501	0.2
83.01294	0.3
84.34895	0.3
85.02819	0.5
87.00755	0.3
88.98682	0.7
89.02328	1.0
93.03345	1.1
97.70832	0.3
101.02325	1.3
107.04910	1.0
108.02035	2.0
109.02849	0.3
111.04393	0.8
111.08030	0.6
113.02348	0.6
119.03378	0.7
120.99525	1.2
121.02826	11.0
122.03609	15.9
123.04375	1.1
129.73610	0.3
134.03616	18.3
135.04416	7.3
137.02357	1.0
137.05977	1.0
137.09650	0.3
145.02948	0.4
146.03625	20.2
147.04298	1.2
149.01285	0.5
149.05971	33.6
150.03137	2.3
150.06297	0.8
154.02632	0.9
161.05983	10.9
162.03130	0.6
164.04697	12.7
165.05481	17.4
166.06255	18.0
167.01448	1.1
167.07042	100.0
168.07364	2.9
168.90701	0.3
173.04453	0.4
177.05513	0.9
179.07053	47.8
180.07390	1.6
182.68196	0.3
182.88507	0.3
183.10229	0.4
193.08612	1.6
195.06564	0.7
201.11226	1.5
209.08192	0.5
221.08142	9.4
222.08659	0.3
272.78708	0.4
312.10187	0.4
315.09119	0.5
315.12421	6.8
316.12518	0.4
327.12378	6.9
350.90979	0.4
363.16724	7.8
363.23715	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65642	0.2
52.84330	0.2
57.03316	1.5
58.00463	0.5
58.99928	0.4
59.01242	35.3
59.02419	0.7
61.98697	0.5
62.61317	0.7
62.61615	0.4
65.09014	0.2
66.38774	0.2
67.05375	0.4
68.86425	0.2
69.03294	0.3
71.01239	15.9
71.04872	0.4
72.99164	2.4
73.02818	1.0
75.00729	0.4
83.01254	1.2
83.04906	0.4
85.02804	3.7
87.00741	1.0
89.02298	17.3
93.03307	0.3
93.06961	2.6
95.01242	1.0
95.08511	0.9
97.36854	0.3
99.00708	0.3
101.02300	11.5
101.76377	0.3
109.06441	0.4
111.08025	0.4
113.02310	7.0
119.02493	0.5
119.03368	8.6
121.06426	0.6
121.10107	0.4
128.84769	0.3
131.03377	0.6
135.08049	0.2
136.19835	0.2
139.11185	0.4
143.03371	0.4
149.04530	0.4
153.71948	0.3
155.10686	1.2
161.04477	0.8
165.63232	0.4
173.04485	1.1
179.05531	1.1
183.10184	48.9
184.04568	0.2
184.10579	1.7
197.11920	0.3
201.11253	14.8
202.11667	0.6
228.73582	0.3
243.12485	0.4
363.16632	100.0
364.16977	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	363.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49500	0.1
51.66997	0.1
55.01754	0.2
56.21679	0.1
57.03322	0.7
57.22268	0.1
58.00459	0.3
59.01242	14.6
59.02460	0.3
60.01590	0.1
69.03325	0.2
71.01239	9.3
71.02833	0.2
72.01571	0.2
72.99165	13.0
73.00868	0.2
73.02805	3.1
75.00722	0.3
83.00759	0.1
83.01237	2.5
85.02803	4.6
85.06458	0.1
85.99945	0.6
87.00732	0.6
87.04369	0.1
89.02295	5.0
89.04568	0.1
91.67551	0.1
91.76067	0.1
95.01243	0.8
97.02831	0.3
99.00748	1.2
101.02301	10.3
101.05029	0.2
102.02602	0.1
111.00747	0.3
111.04376	0.1
111.08007	0.2
112.82584	0.1
113.02305	4.2
114.02611	0.1
119.03377	1.8
125.02300	0.2
129.01807	0.2
137.09569	0.2
143.03377	0.2
155.10736	0.6
159.02890	0.3
161.04454	0.5
165.09120	0.5
172.03775	0.1
173.04434	0.5
179.05656	0.1
183.10187	2.1
191.05568	0.1
201.11253	2.8
202.11618	0.2
243.12263	0.1
255.12367	0.1
317.16180	0.3
345.15585	1.2
363.16626	100.0
364.16968	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92607	0.3
52.01211	0.3
57.03319	0.5
57.91041	0.3
58.00454	0.6
58.89626	0.4
59.00007	0.5
59.01241	32.0
60.35118	0.3
61.98674	0.3
62.61317	0.3
69.03306	0.4
70.52250	0.3
71.01237	14.9
72.99165	9.1
73.02796	1.1
78.95757	0.3
83.01234	1.1
85.02797	3.8
85.06449	0.6
87.00761	0.4
89.02296	14.1
90.60708	0.3
91.72752	0.5
93.03288	0.8
95.01228	1.4
99.00703	0.5
101.02299	9.6
108.02036	0.5
111.04364	0.6
113.02306	5.5
113.03077	0.5
119.03371	3.8
121.10100	5.9
122.03518	0.5
137.09621	0.4
139.11125	0.7
149.02280	0.5
150.03093	2.2
152.01086	0.9
165.05478	3.0
165.09097	16.0
165.63202	0.9
166.09430	0.5
167.03398	1.6
173.04503	1.0
183.10190	21.3
184.10513	0.7
185.11723	0.5
191.05576	1.3
195.06543	0.9
201.11217	0.6
205.10846	0.3
257.12881	0.7
283.10495	0.5
345.15860	0.4
362.25739	0.5
363.16626	100.0
364.17020	6.1
385.62976	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88617	0.1
56.99668	0.2
57.03318	6.9
57.92789	0.1
58.00454	0.6
59.00155	1.1
59.01243	81.3
59.02491	1.5
60.01582	0.5
69.03306	0.2
69.82010	0.1
70.99760	0.2
71.01239	17.4
71.02862	0.3
72.99166	0.8
73.02805	3.3
81.06952	0.4
83.01242	2.0
83.04877	0.2
84.75117	0.1
85.02808	6.0
87.00739	0.7
89.02296	13.6
89.04589	0.2
89.27990	0.2
91.72757	0.2
93.03335	0.2
95.01231	1.4
97.02812	0.4
97.06448	0.3
99.00730	1.2
101.02305	17.6
109.02839	0.2
111.08048	0.2
113.02309	6.9
119.03371	5.7
119.04810	0.4
120.08937	0.1
121.02833	0.2
121.10065	0.3
123.08033	1.0
125.02317	0.3
127.11356	0.2
129.05473	0.2
131.03381	0.4
134.03563	0.2
135.04402	0.2
141.09103	0.4
143.03398	0.7
149.04424	0.2
159.02904	0.6
161.04453	2.6
163.03899	0.4
165.01836	0.6
165.63135	0.5
179.05513	0.7
183.10190	9.9
184.10597	0.2
184.86935	0.2
185.11774	0.6
191.05507	0.4
201.11229	0.3
206.18182	0.2
218.96730	0.2
303.14474	2.1
345.15302	0.5
363.16638	100.0
364.16956	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	363.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90282	0.3
56.45574	0.3
57.03317	3.1
58.00474	0.4
59.00025	1.4
59.01242	74.0
59.02306	0.8
70.25525	0.3
71.01238	15.1
72.99165	0.7
73.02802	10.8
73.03198	0.6
74.10378	0.3
76.20562	0.4
77.05659	0.3
80.60648	0.3
81.06976	0.5
82.78925	0.3
83.01259	1.5
85.02804	5.0
87.00745	1.0
89.02294	17.4
93.03327	1.0
95.01260	1.2
96.95875	1.2
99.00731	0.4
101.02299	14.5
109.02832	1.5
113.02300	7.0
114.75918	0.3
119.03363	10.0
119.04152	0.6
121.10153	1.0
123.08074	0.7
131.03432	0.5
134.30341	0.4
135.04408	0.5
143.03398	1.3
149.04430	0.5
151.00227	0.4
152.01027	0.4
153.01849	1.4
159.02928	0.5
161.04439	2.5
165.05508	0.3
165.12843	0.4
165.63255	1.8
179.03435	0.9
179.05536	1.9
183.10173	4.3
201.11375	0.8
209.11748	0.4
232.97516	0.4
240.77010	0.3
241.46327	0.3
258.21567	0.4
302.27963	0.3
303.14554	0.9
319.17545	0.7
333.06348	0.5
346.26031	0.4
363.16632	100.0
364.16962	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	363.2543
Annotation	18-Acetoxy-cis-clerodan-3-ene-15-oic acid
Peak:m/z	Relative Intensity
54.53331	0.2
59.07713	0.2
70.36668	0.2
70.55128	0.2
73.97638	0.2
83.04812	0.2
84.76958	0.2
84.77372	0.2
84.92132	0.2
85.04671	0.5
85.05227	0.5
85.06451	2.0
86.19708	0.2
90.50768	0.3
91.12229	0.4
92.02492	0.8
104.25533	0.2
106.04103	4.0
107.04869	0.5
108.02039	0.2
119.04884	1.3
121.02813	2.5
133.06471	0.2
170.30655	0.2
205.48628	0.2
231.17503	0.3
233.19055	6.4
259.17151	0.3
261.18607	6.4
262.18869	0.4
275.20343	0.3
276.49124	0.2
299.23849	0.3
301.25385	3.6
315.23358	0.3
317.24847	39.5
318.25201	2.6
319.26422	68.8
319.41846	0.6
320.26791	4.3
363.25430	100.0
364.25763	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	363.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
65.81156	0.4
84.76958	0.8
85.04679	1.4
89.33202	0.5
92.02528	0.6
97.81909	0.5
106.04096	3.1
113.09581	2.3
119.04888	1.1
121.02846	2.7
124.59520	0.5
175.43604	0.5
191.41519	0.5
205.15916	6.3
233.15437	6.0
282.36194	0.5
301.25323	3.1
307.02869	0.6
317.24872	35.8
318.25186	5.0
319.26398	67.1
320.26767	3.0
362.24271	1.9
363.25406	100.0
364.25836	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	363.2907
Annotation	Isomahubanolide 23
Peak:m/z	Relative Intensity
50.40821	0.6
51.52039	0.6
53.51051	0.5
55.01742	1.2
56.53068	0.6
57.03323	1.3
57.17356	0.6
57.51231	0.7
58.25490	0.6
58.61398	0.6
59.01241	4.5
69.03296	3.0
71.01227	0.8
71.04882	2.2
71.35898	0.6
73.02806	1.1
79.48627	0.7
79.55460	0.7
80.02531	3.0
81.03314	11.2
81.66844	0.7
83.04884	1.5
84.01559	0.9
84.02030	11.2
87.21671	1.6
87.22112	0.7
90.97694	0.8
97.02813	1.6
98.03590	22.9
99.04379	12.3
108.02033	7.6
112.98419	1.2
119.01261	0.7
121.02807	1.5
125.77050	0.7
126.03090	9.4
183.29836	0.8
225.52365	0.8
265.25418	2.3
289.25406	0.9
291.26987	7.5
293.28473	4.3
301.24762	2.4
302.72891	0.8
303.26953	8.3
305.25262	0.9
305.28653	1.4
307.29950	1.8
317.24878	4.3
317.28445	22.7
318.25400	0.8
319.26471	17.8
319.30145	2.8
320.26968	2.5
321.28003	23.3
322.28494	1.6
333.27820	1.7
335.29578	100.0
336.29898	5.6
345.27936	2.2
363.25046	22.7
363.29092	85.2
364.25717	1.3
364.29376	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	364.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05126	0.3
56.53588	0.4
57.25457	0.5
57.25776	0.3
57.26120	0.3
59.01244	1.9
61.15646	0.3
61.97561	1.3
61.98693	100.0
62.00013	1.8
71.01253	0.6
95.74019	0.4
106.17862	0.3
109.02856	0.9
116.04939	0.4
121.02831	0.9
124.01543	0.4
139.03897	1.5
140.04271	0.8
141.04373	0.4
142.04665	0.5
153.01834	1.1
165.01845	4.4
166.02223	1.4
203.08334	0.8
268.00687	0.4
303.89093	0.4
312.44977	0.4
327.07248	2.1
328.07693	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	364.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67158	14.5
57.51152	12.7
59.01243	100.0
66.36072	12.0
73.65112	11.1
77.21967	14.6
80.83574	14.5
89.37508	16.0
90.04047	17.1
108.66867	13.4
132.18004	15.7
173.04495	17.2
185.45486	15.7
364.18433	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25777	0.6
58.64847	0.6
59.01241	6.9
60.00490	0.6
63.47336	0.6
68.09167	0.8
71.01241	3.2
71.17365	0.7
72.99154	1.6
73.02812	0.9
79.95593	3.2
80.96392	3.6
85.02817	2.8
89.02272	1.3
91.73337	0.8
96.93458	1.7
96.95870	100.0
96.98550	1.4
101.02294	1.5
108.02031	2.8
109.02817	22.3
113.02324	4.2
118.34016	0.7
120.99581	0.9
121.02830	0.9
123.04370	3.7
135.04366	2.2
138.96904	1.1
141.09138	0.7
143.07062	0.8
150.96957	1.7
151.00177	1.5
151.03889	2.1
152.01042	1.6
152.97031	0.8
153.01826	35.1
154.02255	0.8
165.01883	1.5
167.03410	9.3
179.03416	0.9
192.98102	1.5
195.02953	1.1
208.31630	0.8
210.99127	46.5
211.99445	1.1
259.05969	0.9
285.06155	7.2
287.05505	0.9
317.06763	1.6
317.10037	1.6
365.01862	78.6
365.18079	2.0
366.02115	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	365.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87473	0.1
59.01232	0.3
64.24359	0.1
68.13960	0.1
68.79998	0.1
73.84084	0.1
74.60653	0.1
75.48601	0.1
79.95589	4.3
87.00746	0.2
89.89286	0.1
93.03323	1.4
96.93298	1.5
96.95869	100.0
97.95800	0.3
102.25122	0.2
107.04907	0.3
117.03359	0.2
119.04887	0.9
121.02819	0.4
146.85997	0.1
147.04442	0.3
147.61501	0.1
156.40199	0.1
179.03391	0.3
181.12144	0.2
191.03450	0.3
197.05998	0.6
210.06921	0.1
211.07571	2.2
215.10992	0.3
217.09015	0.3
223.07619	0.3
239.07550	0.1
241.04913	0.2
255.06624	1.2
267.06668	0.4
277.11118	0.3
365.03381	25.5
365.12564	0.8
366.03696	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	365.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	50.3
65.20843	4.6
67.29292	4.4
71.01233	18.7
73.02811	6.7
83.70796	4.7
84.51807	5.6
85.02805	7.7
89.02294	13.9
89.90147	5.8
93.03309	6.2
96.95853	6.3
109.02813	38.4
113.02321	11.8
125.02390	7.2
129.05479	6.4
152.01059	9.6
153.01831	100.0
153.27072	6.4
157.84334	6.4
165.01794	7.1
167.03416	10.4
167.07002	10.8
243.49580	6.6
311.04071	10.2
329.12424	22.6
345.32721	6.0
365.09921	48.6
365.18329	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	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64488	0.2
53.71084	0.2
55.01748	0.4
57.03304	0.7
58.00464	0.3
59.01240	16.9
69.03310	0.2
71.01235	8.8
71.04883	0.5
72.99155	0.9
73.02800	3.8
75.00723	0.3
83.01242	2.5
85.02804	4.8
85.99958	0.4
87.00732	0.6
89.02299	3.4
91.73320	0.3
93.03349	0.2
95.01247	0.6
95.22115	0.2
99.00733	1.1
101.02296	8.5
102.02616	0.3
111.00710	0.4
113.02297	3.8
115.11698	0.2
119.03353	1.2
121.53831	0.3
127.11156	0.4
129.01778	0.2
134.03593	0.5
139.11145	1.1
143.03331	0.3
149.06000	0.3
155.10674	0.4
157.12215	3.1
161.04434	1.0
163.11087	0.4
165.01552	0.5
173.04431	0.4
178.02687	0.3
181.12303	0.4
185.11726	2.2
191.05429	0.4
193.05005	0.6
203.12816	7.4
203.14626	0.5
245.13947	0.3
331.34677	0.3
343.03027	0.3
347.17212	1.1
365.18161	100.0
366.18524	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	365.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00768	0.2
54.83773	0.2
55.01751	0.4
57.03320	0.6
59.00060	1.2
59.01244	66.0
59.02554	0.8
60.01586	0.5
64.48476	0.2
69.27467	0.2
71.01239	9.4
72.99160	0.3
73.02807	5.1
83.01237	2.7
85.02808	6.1
85.03308	0.4
85.99979	0.5
87.00745	0.4
89.02314	1.4
93.03312	0.3
93.06999	0.2
95.01242	0.6
97.02802	0.3
99.00739	1.4
101.02306	11.4
113.02311	4.5
118.47299	0.2
119.03402	0.3
129.01768	0.4
141.01811	0.2
143.03487	0.3
143.10637	0.4
159.02888	1.0
161.04459	4.1
165.01500	0.9
185.11804	1.0
203.12787	1.4
305.16092	4.2
306.16458	0.3
347.17102	0.8
365.18182	100.0
366.18546	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	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01954	0.3
54.67214	0.3
57.03302	1.2
58.00457	0.3
59.01244	32.9
59.02479	0.5
60.75774	0.4
68.97598	0.3
71.01237	14.1
72.01568	0.3
72.99161	0.7
73.02811	3.6
81.06937	0.5
83.01228	1.5
85.02802	3.9
87.00739	0.6
87.04360	0.5
87.46089	0.3
89.02302	12.3
95.01248	0.8
96.95837	0.7
99.00736	0.4
99.08010	0.6
101.01646	0.6
101.02305	10.5
111.81944	0.3
113.02318	5.4
113.09579	0.7
119.02592	0.5
119.03370	5.5
125.09585	0.7
127.07523	3.5
131.03371	0.3
134.37383	0.3
143.10605	1.7
143.95630	0.4
150.09766	0.4
157.12199	0.7
165.01549	0.9
179.05571	0.5
179.74498	0.4
185.11749	16.3
186.12070	0.6
200.07103	0.3
203.10909	0.7
203.12825	13.6
204.13002	0.4
220.82587	0.4
227.22749	0.4
245.11865	0.4
265.95706	0.3
268.55515	0.4
277.05054	0.4
305.16119	0.5
327.11246	0.5
344.49020	0.4
347.17206	1.1
365.18179	100.0
366.18530	6.1
372.06186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99987	1.6
59.01243	100.0
59.02331	1.4
60.01580	0.8
70.92992	0.1
71.01247	0.2
85.02817	0.2
91.72703	0.5
93.42934	0.2
113.02364	0.2
128.56860	0.2
173.04497	0.2
218.89728	0.2
219.01749	0.2
305.09152	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	365.1944
Annotation	6alpha,9-Difluoro-11beta-hydroxypregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
53.65674	0.2
53.75970	0.2
58.00462	0.2
59.00967	0.2
59.01239	2.3
68.26192	0.2
71.01231	2.2
72.99165	2.5
73.76288	0.2
75.59087	0.2
93.03320	1.0
113.05959	0.5
123.08041	0.4
125.09560	1.8
125.99158	0.2
127.11161	0.4
139.11105	0.5
141.09093	8.9
141.12740	0.5
143.10669	2.2
153.09081	0.4
155.10713	0.3
165.01604	1.5
165.08868	1.0
171.10161	5.1
172.10487	0.2
179.06859	0.3
181.08382	4.1
183.09970	1.8
183.11412	0.3
191.06836	0.7
193.08376	5.9
201.02519	0.4
209.07899	1.0
209.86742	0.2
221.07974	1.2
222.08691	7.5
223.09251	0.3
223.20627	0.6
225.07449	1.2
227.08920	1.0
235.20694	0.3
241.09258	0.3
253.10352	0.2
254.07726	0.4
271.16818	0.3
289.17963	0.2
291.19434	5.4
292.20209	0.3
301.17770	1.1
303.16376	0.3
303.19510	2.2
305.13986	0.6
311.16843	0.3
319.18930	2.8
329.17334	1.2
329.23322	2.1
335.18372	0.4
336.62064	0.3
337.18927	0.6
347.18387	1.8
365.19446	100.0
366.19800	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	366.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	29.1
69.03318	3.4
69.17233	2.6
71.01236	7.7
73.02805	18.4
73.45198	2.2
81.03292	2.6
83.04884	7.2
85.02825	6.0
93.03323	40.6
99.00738	7.1
99.04359	9.2
101.02290	5.2
111.04430	14.0
111.05045	2.4
113.02318	8.3
117.57520	3.1
125.02322	10.2
137.02332	13.5
143.03404	5.2
152.36580	2.3
155.03362	13.5
161.04434	5.2
172.98726	3.0
173.04463	100.0
205.12350	3.6
307.10330	12.3
331.24936	6.7
336.48883	2.9
367.13660	3.8
367.17673	14.6
367.21414	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	367.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22831	0.1
57.27937	0.1
59.01218	0.4
76.88330	0.2
79.94067	0.2
80.16388	0.2
80.75217	0.1
81.29818	0.2
83.19234	0.2
84.04578	0.2
85.77245	0.2
88.40773	0.2
89.86178	0.3
89.86625	0.3
93.03296	0.2
98.42162	0.2
113.02314	0.4
125.02271	0.4
135.00816	0.2
143.04843	0.3
153.06981	0.3
159.04352	0.2
165.07019	1.1
167.04913	0.5
171.08029	0.3
173.04443	0.3
173.05940	0.2
180.05730	0.7
181.06487	1.9
182.03638	0.2
193.06512	4.2
195.04431	0.3
201.01923	0.2
207.04472	0.2
208.05269	1.4
209.06024	6.6
210.06421	0.3
219.04419	0.6
220.05182	0.6
221.06052	4.2
222.06618	0.3
223.03944	0.2
224.04776	0.2
227.06868	0.2
234.06841	4.3
235.04024	0.3
235.07487	0.8
236.04738	0.7
237.05544	20.6
238.05936	0.9
248.04814	0.3
249.05507	1.5
249.08139	0.2
249.09177	0.2
250.06372	0.6
251.03319	0.2
251.07179	0.7
252.04289	0.9
253.05011	0.6
263.07068	0.4
264.04181	0.5
265.05057	3.6
267.06680	0.5
276.04324	0.2
278.05765	0.2
279.06586	2.1
280.07242	0.4
281.04562	53.3
282.04922	3.6
292.03705	0.5
293.04639	3.7
293.08194	0.6
294.04953	0.3
295.06000	0.6
295.09338	0.2
296.06915	5.4
307.06226	1.7
308.06775	1.2
309.04065	51.3
310.04379	3.3
313.07141	0.3
323.05579	1.2
324.06430	11.5
325.06647	0.9
335.05582	0.4
337.03571	28.2
338.03915	2.1
351.05209	1.0
352.05911	89.3
353.06247	6.7
353.10608	0.4
367.08240	100.0
368.08594	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	367.0825
Annotation	Paeciloquinone E
Peak:m/z	Relative Intensity
50.13808	0.3
51.80841	0.2
55.58686	0.2
59.01250	1.6
63.30870	0.2
64.96485	0.2
68.99675	0.8
69.03301	0.3
71.04890	0.4
72.99152	0.4
73.02814	0.4
83.76485	0.6
83.76924	0.3
83.90833	0.5
83.91267	0.4
85.02798	0.5
89.86176	0.3
93.03302	0.5
97.02794	0.6
99.04380	0.4
105.35355	0.3
109.02811	0.4
113.02328	2.3
119.01265	4.4
119.47525	0.2
125.02320	2.6
132.02031	0.4
147.77020	0.3
171.04526	0.3
173.04439	1.0
174.03168	0.3
191.04924	0.4
193.06535	2.6
195.08107	0.6
205.06635	0.3
207.08130	0.5
208.05258	0.7
209.06046	1.9
211.07599	0.8
219.04501	1.1
220.05336	1.2
221.06044	5.1
222.06554	0.5
223.03960	0.4
223.07588	1.3
233.06047	1.7
234.06841	0.6
235.04057	0.5
235.07610	4.0
236.04776	0.8
237.05528	7.8
238.05875	0.4
239.03337	0.4
239.07199	0.8
247.03989	1.0
248.04788	4.0
249.05559	3.1
249.08173	0.3
249.09259	0.5
250.02713	0.7
250.06317	0.7
251.03517	0.7
251.07101	3.9
252.04324	2.1
252.07780	0.5
253.04924	0.7
263.03729	0.6
263.07159	2.3
264.04297	4.0
265.05075	14.6
266.05582	1.6
267.03015	1.7
267.06610	0.3
268.03748	0.4
274.02774	0.6
275.03549	1.7
276.04312	2.1
277.04962	0.3
278.05838	1.2
279.03494	0.6
279.06613	12.1
280.07410	14.0
281.04593	2.9
281.07739	0.8
291.03064	1.4
291.06668	2.2
292.03802	16.6
293.04544	5.6
293.08203	1.3
296.06979	0.4
307.06146	40.7
308.06891	37.1
309.03946	1.0
309.07343	1.7
311.05621	0.7
323.05786	0.7
323.09357	0.5
324.06491	1.8
337.03568	0.5
352.05902	15.8
353.06302	0.9
367.08249	100.0
368.08636	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	367.088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77127	0.4
55.01746	0.5
57.03306	0.5
59.01241	7.7
65.89363	0.4
71.00872	0.9
71.01240	13.9
72.99149	1.1
73.02402	0.6
73.02805	10.2
81.03300	0.9
83.04881	2.7
85.02806	4.2
86.98650	0.4
87.00727	23.5
93.03315	21.3
93.03905	1.0
99.00727	2.6
99.04346	2.5
101.02309	1.1
111.04379	9.9
113.02332	0.9
114.97079	0.8
115.00233	45.1
127.00257	0.6
129.01860	1.0
136.87166	0.5
137.02310	7.8
143.03345	1.8
155.03400	5.1
173.04460	53.0
175.02386	100.0
176.02754	2.0
191.05530	8.3
293.62802	0.5
384.28442	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49045	0.6
57.03310	0.7
57.04543	0.5
59.01240	8.8
60.60918	0.6
65.03802	0.6
69.03306	0.8
71.00873	1.2
71.01238	16.3
71.02724	0.6
72.99157	1.4
73.02804	19.3
81.03305	2.1
83.04875	7.5
85.02795	4.6
87.00731	21.5
93.03313	39.8
93.05585	0.7
99.00731	6.2
99.04375	5.1
101.02290	1.1
109.02872	0.7
111.04381	16.4
112.98717	0.8
113.02334	1.1
115.00235	44.6
116.00622	0.7
129.01782	2.8
129.05437	0.9
137.02328	13.8
137.69926	0.7
143.03363	3.1
155.03392	10.0
164.43935	0.6
173.04459	95.0
174.04803	1.3
175.02388	100.0
176.02701	1.8
191.05516	9.2
193.05769	0.9
259.43542	0.6
261.62262	0.6
288.29745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1397
Annotation	Drosopterin
Peak:m/z	Relative Intensity
53.33979	0.6
54.25290	0.5
57.03323	4.1
66.36996	0.6
69.02956	1.0
69.03312	15.9
71.01234	1.9
71.04871	2.9
71.52313	0.6
72.98785	1.3
72.99167	19.4
73.02807	5.0
85.02811	5.9
87.04366	1.1
90.90948	0.7
93.03343	0.6
95.04903	1.0
97.02809	21.7
99.04385	1.3
108.01938	0.6
109.02798	1.5
112.99144	1.3
113.02306	95.2
114.02657	2.2
120.11234	0.6
121.02828	1.8
121.06405	1.0
125.02313	100.0
126.02647	2.6
128.96187	0.6
141.01791	2.6
143.03360	3.0
146.03687	1.0
147.04436	1.9
149.05965	1.2
151.11130	1.4
165.05528	1.4
173.04434	0.9
174.03137	2.0
175.03889	2.7
177.09135	1.0
179.10661	3.4
179.31703	0.9
181.12274	2.1
185.05922	1.0
186.06764	0.8
191.10719	0.7
193.12352	0.9
204.11493	2.4
209.04538	2.1
215.14453	2.4
217.16078	0.9
231.10225	3.1
232.11053	5.7
233.11823	0.9
233.15462	2.9
243.13911	4.1
247.13464	1.5
249.11281	1.7
261.14914	8.3
262.15170	1.5
275.12930	1.0
277.14545	1.2
287.12912	5.1
305.14008	3.9
307.06607	0.8
349.12961	6.1
350.13287	0.8
351.14374	1.2
361.38995	0.8
367.14001	62.5
368.14322	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	367.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25157	0.7
59.01249	2.3
60.99162	1.0
65.94011	1.3
68.99712	0.9
69.03011	0.9
69.03313	4.8
71.01264	1.5
71.04900	1.7
71.15416	0.7
72.11042	0.7
73.02821	2.8
75.47511	0.7
76.56255	0.7
80.02551	1.4
81.03342	1.4
83.04887	7.0
84.02022	1.2
85.02827	2.1
89.00123	0.9
90.99757	0.7
91.72757	1.2
93.03350	2.9
95.04913	2.1
97.02853	3.1
99.04378	7.8
99.08035	4.2
103.75552	0.8
108.02036	5.7
109.02832	1.9
109.06477	1.1
111.04372	4.9
113.09626	3.2
115.03895	8.4
121.02866	3.6
121.06505	1.2
121.10091	5.9
122.03664	2.3
123.04490	1.1
125.02311	4.3
127.03881	19.3
129.09109	1.2
133.06456	2.0
134.03624	1.1
135.04445	1.7
137.05962	5.8
137.09628	5.3
140.04663	4.2
141.07042	2.9
141.09163	1.9
143.04877	4.4
145.02905	2.6
146.03651	1.5
147.04439	4.6
147.08012	1.0
149.05984	5.7
149.09608	25.6
149.10747	1.8
150.03162	1.7
151.07526	1.8
151.11189	2.3
153.09109	1.0
156.05708	1.3
157.06537	3.0
158.07268	12.8
159.04431	0.9
159.08144	1.7
160.01595	2.8
161.06024	3.5
162.54790	0.9
163.07570	1.7
163.11211	2.9
165.09187	2.6
167.05063	1.2
167.10756	3.8
169.06503	1.0
171.04446	15.1
171.08076	1.1
172.05208	4.1
173.05994	1.7
174.03207	3.8
174.06839	1.1
175.03957	4.3
175.07610	3.8
176.08401	1.7
176.56116	0.9
177.09175	4.7
177.12892	0.9
179.07080	2.2
179.10684	7.0
181.12335	1.2
184.05170	0.9
185.05995	8.2
186.06790	21.6
186.10356	2.0
187.04074	0.9
187.07359	1.7
187.14868	4.8
189.09229	1.1
189.16391	1.8
191.10818	1.4
195.10262	2.0
197.11833	2.5
197.13387	1.7
199.07640	2.7
199.11252	2.3
199.14885	1.6
200.11993	1.0
203.07159	2.6
203.10698	1.4
203.14430	1.1
204.07945	3.4
204.11583	2.5
205.15955	4.8
207.10294	3.6
212.04735	2.0
213.12802	1.1
214.09970	8.6
215.03607	1.1
215.14371	36.0
216.14775	1.8
217.12433	1.7
217.15967	3.4
225.11276	3.7
225.13170	5.5
230.05937	3.0
231.10280	5.3
231.14047	2.9
232.11093	3.6
233.15446	16.1
235.17128	2.2
241.12485	2.8
243.13896	59.7
244.14316	3.4
247.06091	1.4
248.06865	1.9
249.14989	2.3
250.12163	1.6
251.16609	3.6
259.13385	6.0
261.14978	21.6
262.15387	1.1
269.11963	1.5
277.14487	6.3
279.07275	1.0
279.16049	9.3
280.16574	1.1
287.12912	100.0
288.07706	0.8
288.13290	7.6
295.15613	1.9
305.13959	14.7
306.14627	0.9
323.15247	2.9
328.15610	1.0
331.11877	11.1
349.12952	47.7
349.37491	0.9
350.13364	3.4
367.14005	26.0
368.14368	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	3.1
59.01244	8.3
69.03332	2.6
71.01242	2.2
71.04881	29.3
71.05276	1.5
72.99163	13.2
73.02805	13.8
75.00747	1.3
78.95760	1.7
80.11041	1.1
81.03322	2.0
83.01238	1.5
83.04886	4.9
85.02810	4.2
88.28925	1.2
93.03312	19.6
95.04875	2.0
97.02810	3.2
99.00726	2.6
99.04377	10.9
99.08028	4.3
101.02315	1.6
105.06960	1.3
106.04105	2.8
107.04871	2.7
109.02824	4.8
109.06432	2.1
111.04384	7.5
111.08025	3.1
113.02317	18.9
119.04899	8.9
121.02834	3.1
121.06454	9.4
121.10110	6.9
123.04350	1.7
124.01592	1.8
125.02317	10.1
129.09099	4.7
131.04893	2.1
133.06471	1.1
134.03622	3.0
135.04413	3.0
135.08012	1.6
136.05148	1.3
137.02310	6.3
137.05945	7.1
137.09633	1.3
140.81822	1.8
141.01831	5.7
142.85033	1.2
143.04935	1.4
147.04410	5.3
147.11702	4.2
148.05235	1.6
149.06004	3.4
149.09612	31.2
151.03958	1.6
155.03433	2.8
158.07309	3.7
160.01537	2.1
163.03928	2.1
163.11137	1.6
165.05455	8.3
169.04932	2.0
171.04462	4.3
173.04477	38.9
173.05901	2.3
174.03178	5.9
175.03925	21.0
175.05464	1.6
175.07578	3.8
175.11217	3.3
176.08377	5.3
177.12749	3.9
181.12241	1.8
185.05965	3.5
185.13275	1.5
186.06767	16.6
187.11241	3.7
189.05530	1.7
189.09172	1.6
190.06329	2.1
191.10692	2.1
193.05003	3.4
193.12221	1.6
199.11282	2.4
203.07220	1.5
203.14348	4.4
204.07896	4.0
205.12384	4.5
209.04510	14.3
213.12831	2.8
214.09920	7.1
214.13448	1.5
215.14348	10.3
219.03040	4.2
219.14119	1.5
225.12837	3.1
230.05905	7.4
231.10312	4.9
231.13905	5.8
232.11032	16.5
233.11621	1.8
233.15431	17.4
237.07568	1.5
243.13850	27.5
247.13425	7.7
249.11397	4.5
249.15028	1.6
251.16597	2.2
252.37152	1.4
259.13443	3.0
261.14957	41.1
262.15408	2.8
273.63651	1.4
275.12766	1.5
276.10007	6.5
277.14578	3.5
279.15952	3.6
282.65903	1.4
287.12943	22.6
293.13974	3.6
295.15637	1.8
303.12366	1.5
305.13904	22.1
305.17068	1.7
321.13416	2.8
323.14914	16.0
331.11887	3.6
339.14539	4.5
349.12949	40.8
367.14032	100.0
368.14221	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	367.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46912	0.8
51.69363	0.8
51.79641	0.7
59.01237	4.9
60.12767	0.7
64.89438	0.8
67.01739	1.6
69.03327	5.4
71.01243	5.8
72.99165	100.0
73.02789	1.8
73.54875	0.8
75.00696	0.9
75.39557	0.7
83.04871	0.9
87.00748	1.4
90.72652	0.8
91.05379	0.9
93.03310	1.7
96.95831	1.7
99.08008	3.0
100.85423	1.0
101.02271	1.3
107.04901	1.1
108.02027	2.0
108.97115	0.9
109.06389	2.2
112.01540	1.3
119.04871	2.8
121.02799	4.4
121.06474	1.3
122.03603	2.5
123.04376	6.7
125.09581	2.5
127.07507	1.5
129.09068	4.5
135.04430	4.5
137.05954	11.7
142.02637	1.2
144.64664	1.0
146.05983	2.7
149.05974	3.1
151.03917	8.7
153.05431	1.5
153.09068	3.0
163.03912	7.9
164.04614	2.3
165.05481	22.3
167.07014	6.4
169.08658	5.2
173.04440	3.6
175.03937	1.1
176.04573	1.3
177.05437	1.9
179.03429	1.5
181.04924	1.3
190.06239	2.1
199.09653	2.7
202.06262	1.9
205.12291	1.6
219.06560	1.1
219.13655	1.1
227.09196	2.9
230.05847	2.1
231.13921	1.8
233.11887	4.6
233.53822	1.0
235.13353	1.2
236.06920	2.3
247.13364	15.7
248.13724	1.3
259.13397	5.5
261.14905	1.1
265.14471	1.1
271.84549	1.0
275.12848	3.5
287.12900	2.5
293.13953	43.2
294.14267	2.6
295.15366	1.8
307.10272	1.5
323.05780	1.8
349.12921	1.3
367.14096	36.3
368.14365	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66674	1.5
59.01244	55.2
66.38799	1.7
71.01241	7.3
73.02807	15.6
78.22455	1.8
83.04874	5.4
85.02809	4.3
91.72698	2.5
93.02754	4.1
93.03316	44.7
99.00733	6.2
99.04383	5.4
101.02285	3.4
109.02859	2.0
111.04384	18.1
113.02351	2.7
119.04886	6.4
119.37410	1.9
129.01785	1.9
129.26695	1.6
130.10670	2.2
131.07043	3.0
137.02342	15.8
143.84088	1.9
155.02194	1.6
155.03377	10.9
163.03867	4.7
166.11638	2.0
173.04465	100.0
190.04781	2.8
246.87247	1.8
261.29364	2.0
262.41422	2.3
298.66501	2.3
307.10181	2.2
307.17685	4.2
323.10110	3.0
337.51523	2.4
367.08984	4.3
367.15176	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	367.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66674	1.5
59.01244	55.2
66.38799	1.7
71.01241	7.3
73.02807	15.6
78.22455	1.8
83.04874	5.4
85.02809	4.3
91.72698	2.5
93.02754	4.1
93.03316	44.7
99.00733	6.2
99.04383	5.4
101.02285	3.4
109.02859	2.0
111.04384	18.1
113.02351	2.7
119.04886	6.4
119.37410	1.9
129.01785	1.9
129.26695	1.6
130.10670	2.2
131.07043	3.0
137.02342	15.8
143.84088	1.9
155.02194	1.6
155.03377	10.9
163.03867	4.7
166.11638	2.0
173.04465	100.0
190.04781	2.8
246.87247	1.8
261.29364	2.0
262.41422	2.3
298.66501	2.3
307.10181	2.2
307.17685	4.2
323.10110	3.0
337.51523	2.4
367.08984	4.3
367.15176	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	367.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20222	5.8
56.87381	6.3
58.98435	6.9
59.01245	100.0
61.16285	7.6
62.40095	8.0
65.48154	6.8
70.61638	7.5
71.01257	18.0
72.99165	24.4
73.02840	9.2
78.51914	9.8
81.61251	7.2
84.72760	9.1
85.02810	11.3
93.03336	14.3
97.02802	10.5
99.30589	8.0
104.48748	8.7
106.06497	23.2
113.02337	70.3
114.07797	10.6
125.02292	56.5
131.06998	17.8
173.04500	18.1
175.03952	9.7
176.79228	9.2
194.04483	18.4
208.00601	10.3
254.12589	10.1
261.14868	10.2
289.21976	9.7
301.80249	9.5
323.05673	14.3
367.10565	11.6
367.14731	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.153
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86788	4.4
59.01228	17.2
71.04891	5.7
71.31944	4.2
71.59694	5.0
72.99165	100.0
73.55277	4.4
80.05668	4.9
81.08366	4.4
84.67865	5.4
85.02781	6.7
93.03317	7.8
113.02313	15.2
125.02351	11.0
143.14030	5.7
155.73486	5.4
173.04482	14.5
323.18655	13.3
349.12900	9.8
367.08728	8.1
367.13937	38.8
374.81458	6.5
382.28235	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	367.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59830	2.2
57.05884	2.5
59.01247	34.8
66.81931	2.3
70.82182	3.0
71.01239	6.1
71.04887	6.0
72.99154	5.1
73.02806	3.9
78.39088	2.6
79.95591	3.8
85.02813	3.4
93.03316	11.2
96.95847	10.0
101.02328	3.5
108.02017	7.3
109.02793	4.3
109.38239	3.3
113.02327	7.4
119.04856	3.7
123.04432	5.4
124.16076	2.9
125.02335	6.3
130.17798	3.4
132.67642	3.8
137.02304	5.2
149.09621	10.1
150.93492	3.3
152.01015	9.4
154.40031	3.0
158.07236	6.0
161.04460	3.8
167.03383	18.9
171.04559	3.2
173.04501	12.0
175.03891	6.9
186.06711	5.2
204.08066	3.1
215.14333	10.9
221.13182	3.2
233.15431	9.2
240.05315	6.4
241.05353	3.4
243.13884	13.1
247.13516	4.3
251.24150	3.1
261.14990	10.8
277.14371	3.4
280.03159	31.0
280.53433	6.8
287.12903	11.3
295.09821	3.3
305.14017	4.1
307.10342	7.9
307.17609	4.6
313.07181	16.3
323.05939	4.0
331.11786	4.0
349.12912	10.2
367.15152	100.0
368.15256	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	367.153
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86788	4.4
59.01228	17.2
71.04891	5.7
71.31944	4.2
71.59694	5.0
72.99165	100.0
73.55277	4.4
80.05668	4.9
81.08366	4.4
84.67865	5.4
85.02781	6.7
93.03317	7.8
113.02313	15.2
125.02351	11.0
143.14030	5.7
155.73486	5.4
173.04482	14.5
323.18655	13.3
349.12900	9.8
367.08728	8.1
367.13937	38.8
374.81458	6.5
382.28235	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	367.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99967	1.5
59.01242	100.0
59.02343	1.3
60.01579	0.8
60.60690	0.3
61.98701	0.6
64.84234	0.3
66.41559	0.4
71.01241	8.9
73.02808	3.3
78.05428	0.3
81.03314	0.7
83.04883	1.1
85.02818	1.4
85.06455	1.6
89.02323	0.6
93.02753	0.8
93.03315	7.5
99.00748	1.0
99.04389	1.3
101.02344	1.5
111.04362	3.5
113.02324	0.8
119.04900	0.8
131.07019	9.3
137.02304	3.2
143.03345	0.8
144.41989	0.4
155.03363	2.0
161.04550	1.0
173.04460	17.6
174.04852	0.4
180.11765	0.5
185.08075	2.9
187.89569	0.3
194.63870	0.3
242.79997	0.4
258.56738	0.4
275.11362	2.5
294.75742	0.3
307.10431	1.1
307.17529	1.7
337.88516	0.3
340.95007	0.4
350.72980	0.4
351.12250	0.4
367.15192	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2101
Annotation	15(R),19(R)-hydroxy Prostaglandin E2
Peak:m/z	Relative Intensity
57.03293	0.5
59.01236	2.5
63.01537	0.4
64.60580	0.4
66.96887	0.4
67.35933	0.3
69.03294	1.5
71.01225	1.2
72.99165	1.6
73.02787	0.6
78.18014	0.4
85.02808	0.7
91.72642	0.9
93.03297	0.9
97.02798	1.7
113.02299	7.2
113.05937	0.4
120.86596	0.4
121.02786	0.5
125.02311	8.3
125.09604	0.8
127.11144	0.9
135.04376	0.6
139.07321	0.6
141.09094	5.2
143.10629	2.3
155.10707	0.8
165.01547	0.7
165.08900	1.2
168.43796	0.5
171.10162	1.8
172.36482	0.4
173.04459	1.5
175.03967	0.5
179.03394	0.5
181.08412	3.0
183.09953	2.7
193.08385	8.6
209.07817	0.7
222.08684	3.1
223.09544	0.6
223.20691	0.8
225.07437	1.1
227.08969	0.7
231.10277	0.6
232.10922	0.8
261.14877	0.7
287.12903	0.7
291.19525	5.4
303.19489	1.3
307.10492	0.7
323.05621	0.5
349.13065	1.0
349.19955	7.6
350.20410	0.7
365.19131	0.6
367.13663	3.6
367.21021	100.0
368.21310	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	367.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02664	0.2
59.00978	0.3
59.01244	4.2
59.75045	0.2
60.20862	0.2
61.10431	0.2
66.70761	0.2
71.01234	1.6
73.02821	1.4
75.00734	0.3
77.97316	0.2
83.04862	0.9
85.02781	0.2
86.77923	0.2
89.02343	0.3
90.78771	0.2
93.03312	3.1
97.06409	0.2
99.00732	0.5
99.04377	0.4
101.02287	0.4
111.04375	1.2
117.01802	0.6
118.62439	0.2
120.88509	0.2
135.02875	1.0
137.02303	0.6
155.03427	0.7
161.04442	0.4
173.04451	6.5
177.16379	0.2
205.19493	0.6
231.17548	1.2
247.16960	0.3
249.18588	100.0
250.18927	5.9
250.20805	0.2
251.19267	0.5
307.10291	1.4
367.21265	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48402	0.2
56.70654	0.3
58.00449	0.2
59.00975	0.4
59.01242	6.0
65.07816	0.2
69.03307	0.4
70.44635	0.3
71.01235	2.0
73.02808	2.6
75.00728	0.5
81.03323	0.4
83.04878	1.3
85.02797	0.7
89.02299	0.7
93.03316	5.6
99.00729	0.9
99.04366	0.7
100.33802	0.2
101.02283	0.5
111.04372	2.6
117.01776	0.7
129.01834	0.4
135.02853	1.0
137.02327	1.6
143.03381	0.4
153.68323	0.3
155.03397	0.9
161.04498	0.5
173.04460	12.8
174.04704	0.4
177.16370	0.4
193.06982	0.4
205.19504	0.9
206.15878	0.2
231.17570	0.9
247.16956	0.4
249.18591	100.0
250.18953	5.0
307.10468	2.1
317.21133	0.9
335.22308	3.5
367.21198	2.2
367.25015	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2278
Annotation	Neurymenolide A
Peak:m/z	Relative Intensity
52.02671	0.5
59.01241	1.1
63.73759	0.5
65.03818	0.8
65.73403	0.5
73.22905	0.5
75.23167	0.5
76.04545	0.5
76.76418	0.5
83.04893	0.6
86.04388	0.7
92.02547	3.0
93.03316	3.0
94.16705	0.5
95.01263	0.6
106.04106	7.5
107.04889	25.0
108.02030	1.8
111.04366	0.8
119.04887	10.6
121.02815	11.2
126.60138	0.6
133.06506	0.8
135.04346	0.7
137.02303	1.3
141.86572	0.7
147.31477	0.5
173.04486	3.6
173.09619	0.8
175.11192	6.6
187.11246	0.7
189.12747	1.0
201.12798	0.9
223.75684	0.6
229.15962	0.6
255.73210	0.7
321.22150	1.1
323.23816	24.7
323.27625	1.2
367.22791	100.0
368.23154	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	367.249
Annotation	Carboprost
Peak:m/z	Relative Intensity
50.31841	1.0
59.01246	6.4
66.38830	1.2
68.15086	1.2
71.01240	1.5
73.02824	2.0
76.20876	1.3
85.02806	2.0
91.72677	1.6
93.03327	5.2
94.04095	1.6
96.95894	2.5
101.05950	5.9
111.04362	1.8
113.02315	5.9
119.94037	1.3
120.79885	1.3
125.02348	4.5
155.10704	2.5
173.04459	8.1
176.79036	1.3
178.09911	8.1
221.18906	1.8
237.18523	3.8
247.16907	7.7
263.16522	24.5
265.18103	100.0
266.18506	5.6
281.17670	16.2
307.10373	3.2
331.22766	3.7
349.23877	94.3
350.24203	5.8
355.44943	1.7
367.14270	4.0
367.24774	5.3
367.35883	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	368.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19511	0.2
55.83622	0.2
59.01243	1.3
59.77225	0.2
61.97315	1.5
61.98692	100.0
61.99886	1.5
69.03322	0.2
71.01234	2.6
72.99164	3.7
73.02805	3.2
73.99516	0.2
80.99673	0.3
87.00735	0.4
89.02307	0.9
96.95876	0.5
99.00746	1.2
109.02824	0.5
109.03955	0.9
111.89124	0.2
112.98668	0.3
115.00237	1.3
121.02807	0.3
124.98642	0.3
125.02334	2.5
129.09105	0.3
135.04373	0.9
137.02356	0.5
139.03925	0.6
143.03448	0.2
145.02800	0.3
149.46107	0.2
153.25459	0.2
163.03960	0.3
165.01869	0.6
165.05530	0.4
167.03462	0.6
173.04544	0.2
177.05397	0.2
179.03377	1.1
204.99834	5.7
293.14127	0.6
294.14468	0.5
305.06726	3.3
357.28976	0.3
367.13983	0.5
368.14389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69508	15.3
52.57163	22.4
53.50745	17.6
53.52717	16.6
54.24625	20.2
59.01233	69.7
61.98710	21.4
66.12737	21.2
69.88675	22.0
71.01231	33.5
73.02816	36.5
76.83212	18.8
82.65672	18.9
88.07601	21.7
93.03311	53.9
94.03645	45.3
94.25393	19.9
101.34647	19.5
112.04720	25.1
122.35431	23.8
137.02374	26.7
173.04504	99.6
174.04846	100.0
189.60005	23.0
213.28268	25.0
255.03102	23.5
271.70932	26.6
288.41153	26.2
308.10565	26.2
369.09171	45.4
369.63995	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.9802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86105	1.1
51.80625	0.9
53.92413	1.1
57.21365	1.0
59.01247	4.8
59.72636	1.2
68.99681	6.7
71.01248	5.6
72.99168	23.8
74.99239	5.9
81.65466	1.3
82.99762	5.1
84.94402	1.2
84.94959	1.9
96.95856	8.1
96.99126	1.9
98.99262	2.3
99.00790	2.1
101.00821	6.5
101.99861	1.4
102.98772	1.7
110.99261	3.7
112.98656	2.5
117.00314	9.5
125.00819	39.5
126.00967	3.1
126.98749	38.7
127.02368	11.5
127.98835	1.4
129.00313	81.3
130.00424	3.7
132.98326	4.4
138.98770	10.3
141.00320	10.8
143.01907	9.8
152.99161	1.1
153.00322	20.7
154.98260	100.0
155.01831	7.5
155.98416	6.4
156.98497	3.3
156.99834	19.3
158.99902	4.5
159.01329	3.3
167.01949	4.3
168.98419	2.6
168.99829	34.3
170.00002	2.3
171.01398	54.6
172.01556	3.9
174.99396	11.0
180.99850	21.8
182.96304	2.0
182.97794	13.6
182.99873	10.0
183.97896	2.1
184.97928	4.1
185.01570	2.0
186.99437	3.8
194.92746	1.7
196.99347	85.1
197.99503	2.7
198.99409	15.0
199.00990	8.5
199.99512	1.4
200.97363	11.1
201.00984	23.8
201.97423	1.6
202.01158	2.4
202.98936	5.1
207.00018	2.1
210.99388	7.0
213.00966	14.0
214.98769	2.0
217.00473	11.9
218.00536	1.5
224.97096	1.7
224.98906	10.7
225.01064	18.6
226.01363	1.7
226.98949	16.6
227.02588	3.5
229.00531	15.8
237.01196	2.4
238.98941	12.5
241.00494	9.9
242.98483	31.2
243.02133	32.2
243.98483	2.9
244.02286	4.4
245.00003	8.4
252.96931	1.8
252.97882	1.9
253.00555	18.8
254.98578	7.0
255.02112	40.5
256.02319	4.6
257.00049	15.9
259.01697	3.7
269.00104	10.8
271.01608	54.3
272.01782	5.5
273.03174	31.8
274.03238	4.2
281.00027	55.0
282.00269	6.9
282.97971	2.6
284.99615	10.8
294.98007	3.9
296.99564	58.8
297.99792	8.7
298.97513	13.2
299.01038	72.2
300.01236	8.0
308.95831	9.9
314.96960	2.7
315.00626	33.3
316.00778	4.5
324.98923	11.6
326.96951	4.5
340.98526	3.6
347.97220	1.7
368.98010	74.6
369.98151	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	369.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38380	0.2
53.91570	0.2
59.01240	0.5
63.34976	0.3
70.00299	0.3
70.00834	0.2
71.01236	0.3
72.27781	0.2
73.02804	0.4
73.90655	0.2
78.93954	0.2
82.09447	0.3
83.04073	0.2
83.74695	0.4
90.36514	0.9
90.37112	0.4
99.00745	0.3
102.17625	0.4
108.02025	0.7
123.04391	0.4
129.02731	0.3
135.00880	0.3
155.04929	0.6
159.04437	0.6
160.01605	0.4
167.04878	0.4
171.04430	0.6
182.03653	0.5
183.01184	0.3
183.04459	1.1
183.08073	0.9
187.04100	0.3
195.08083	0.7
196.05348	0.4
199.04015	0.8
201.01910	0.4
204.99831	0.9
205.50204	0.3
208.05141	0.3
209.06068	0.8
210.06859	0.6
211.04030	1.5
211.07556	3.0
215.03392	0.6
221.06067	0.8
222.06778	0.6
223.07593	1.5
224.04825	0.7
225.05499	0.3
227.03474	0.6
236.08389	2.3
237.05524	0.7
238.06342	3.9
238.08563	0.4
239.03526	3.3
239.07100	12.7
240.07410	0.6
242.02235	0.4
243.02902	1.4
249.05489	0.5
250.06421	0.8
251.07143	1.1
253.05057	0.6
253.08650	0.9
254.05811	2.7
255.02621	0.3
265.05020	0.5
265.08820	0.4
266.05862	16.1
267.03046	7.4
267.06641	12.4
268.03488	0.4
268.06906	0.5
269.04596	0.4
269.08374	0.5
271.02582	2.1
280.03830	0.4
281.08197	13.0
282.05322	1.2
282.08804	1.2
283.06097	3.6
284.06683	0.5
294.05362	33.4
295.06100	16.5
295.08719	0.4
296.06387	0.5
297.04175	2.4
298.04907	0.4
298.08307	2.9
299.02023	0.8
299.05621	0.5
299.09106	0.6
309.07663	9.4
310.08301	1.3
311.05875	1.3
314.07996	0.4
315.08395	0.4
326.07901	3.5
327.05133	4.7
327.08569	0.5
328.05368	0.4
339.05154	4.2
342.07489	1.2
354.07477	90.1
355.07794	5.5
369.09811	100.0
370.10153	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	369.098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31639	0.6
57.41000	0.5
59.01215	1.9
71.01205	2.7
73.02777	3.0
77.97842	0.9
77.98237	0.7
87.00707	0.6
93.03307	1.1
99.00736	1.0
108.01340	1.4
108.02031	22.1
109.02809	1.6
115.00207	1.5
117.03311	0.9
121.02827	4.1
123.04388	19.5
128.83543	0.6
134.03656	0.8
135.04376	2.0
140.49547	0.8
143.04904	1.3
143.19731	0.6
145.02818	2.0
147.04323	1.3
148.01506	1.0
153.01869	0.8
158.03603	0.8
159.04405	2.6
160.01598	1.1
160.05170	2.1
161.02289	1.8
167.08582	1.4
171.04433	6.0
173.02353	0.7
174.03151	12.7
183.07996	1.1
187.03922	1.3
189.05472	1.2
193.06448	2.2
195.04427	1.8
195.08093	3.7
196.05212	2.7
197.05998	2.0
202.81799	0.7
204.99918	3.9
209.06009	3.3
211.03937	0.7
211.07588	9.7
218.02158	0.7
220.05211	1.3
221.06029	10.5
222.06847	3.9
223.07655	5.7
224.04727	3.7
225.05482	2.2
237.05560	8.9
238.06364	4.0
239.07111	26.5
240.04427	1.1
240.07317	1.4
245.04561	11.7
248.04773	2.7
249.05576	13.0
250.06279	7.0
251.07072	4.7
252.04428	0.8
252.07898	0.9
253.08669	1.2
254.16467	0.7
263.07114	1.2
265.05032	4.3
265.07516	0.6
266.05872	9.3
267.06635	100.0
268.07037	4.8
277.05038	1.6
279.06555	2.0
281.08197	6.0
282.08987	30.8
283.09335	1.5
286.30963	0.8
292.07257	1.8
293.04575	3.9
293.07520	0.7
294.05316	13.6
295.06134	28.0
296.06552	1.8
297.11310	21.3
298.11859	1.3
308.07031	2.3
309.07690	18.7
309.11249	1.5
309.25958	0.9
310.08450	11.0
311.05621	7.3
323.05817	0.8
323.09326	2.5
325.07596	1.8
325.10834	39.6
326.07925	16.4
326.11240	1.6
327.08524	1.1
339.05072	4.9
341.10315	40.2
342.10666	2.7
351.08707	1.5
353.06525	1.3
354.07397	3.8
369.09811	66.4
370.10019	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.098
Annotation	(+)-DCA-CL
Peak:m/z	Relative Intensity
59.01243	2.7
64.61926	0.4
65.29782	0.5
71.01234	4.2
72.99163	0.7
73.02800	3.2
82.86071	0.8
86.36932	1.1
86.37370	0.6
88.03919	0.9
89.02293	1.2
99.00703	1.4
112.98705	0.6
115.00223	2.6
175.03883	2.2
178.02670	1.3
182.03763	0.7
183.04417	0.9
184.30539	0.5
193.05022	0.7
203.03424	1.2
204.99860	6.7
209.06030	1.7
210.03035	0.7
211.04037	1.5
225.05568	2.5
237.05524	2.4
240.04251	0.7
251.07159	1.3
252.19603	0.6
252.94012	0.7
253.05051	48.4
253.17798	0.6
254.05502	2.7
263.53568	0.6
265.05048	2.4
267.02951	0.6
267.06723	1.4
268.07227	3.1
279.06528	0.7
281.04556	44.6
282.04999	2.3
283.06100	2.0
295.06253	1.3
296.06927	12.9
296.09882	0.5
297.07495	0.8
299.09256	1.1
309.04047	21.5
310.04630	1.6
311.05597	4.5
323.05719	1.2
324.06400	100.0
325.06686	4.7
326.07928	1.9
339.05133	4.0
339.08728	54.3
340.09085	2.6
354.07471	35.6
355.07700	1.0
357.84381	0.6
368.20822	1.8
369.09799	86.4
370.10114	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	369.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50431	3.3
51.81291	3.8
59.01245	46.1
68.43821	3.4
69.49203	3.6
71.01241	44.0
72.99171	20.7
73.02806	63.7
75.78384	3.6
80.99648	4.0
87.00739	16.1
89.02316	13.6
93.03294	6.2
96.95889	5.4
99.00746	24.1
101.02271	6.9
109.02794	10.3
112.98695	8.8
115.00256	35.0
125.02324	8.7
134.77451	4.6
142.99736	7.7
153.01884	4.6
204.99825	100.0
207.06689	6.4
295.11832	9.6
313.12936	13.9
325.03491	9.3
333.06192	16.2
351.14664	5.4
369.11795	9.0
369.16403	22.6
388.88095	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	369.2198
Annotation	Aspidocarpine
Peak:m/z	Relative Intensity
52.23303	0.2
59.01249	0.7
61.15911	0.2
61.98722	0.2
65.53571	0.2
76.93832	0.2
77.86700	0.3
78.93708	1.0
78.95760	100.0
78.97585	1.7
79.95582	0.3
95.96048	1.1
96.94070	0.4
96.96820	36.6
96.99254	0.5
116.36276	0.2
119.04861	1.0
121.02773	0.5
133.06497	0.2
173.04395	0.3
178.38434	0.2
203.53400	0.3
245.32344	0.2
251.19893	0.4
259.28162	0.3
311.16446	0.6
325.25381	2.6
326.25278	0.3
369.21545	14.7
370.21997	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2435
Annotation	3-Oxochola-4,6-dien-24-oic Acid
Peak:m/z	Relative Intensity
50.12454	0.4
65.25427	0.4
74.60416	0.5
85.50370	0.4
86.54898	1.0
88.43317	0.4
92.02518	1.3
97.33550	0.4
106.04104	7.4
107.04884	2.6
108.02036	0.6
108.77175	0.4
119.04890	25.7
121.02808	5.6
133.06468	6.7
137.02368	1.2
137.42490	0.4
147.08040	0.5
161.09628	1.7
175.11162	2.2
189.12749	1.2
203.14384	1.3
215.14403	0.5
217.15933	1.5
229.16183	0.6
231.17496	1.2
255.17329	0.5
271.20792	0.7
281.18976	0.6
295.21045	0.5
309.22153	0.6
323.23758	4.5
325.25378	48.5
326.25815	1.3
369.24362	100.0
370.24603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21628	0.3
73.70752	0.4
77.02033	0.4
86.54910	1.1
92.02549	1.1
93.03326	0.6
98.66679	0.4
106.04100	5.9
107.04883	3.1
108.02026	0.8
119.04890	23.5
120.05264	0.5
121.02032	0.5
121.02829	8.1
133.06476	7.0
137.02318	0.9
147.08043	0.6
147.93439	0.5
161.09592	2.0
175.11162	2.6
189.12802	1.2
203.14417	1.0
215.14328	0.9
217.16006	1.1
229.16031	0.6
231.17474	1.6
241.16014	0.5
253.15955	0.6
267.17688	0.5
268.41922	0.4
281.19147	0.8
295.20605	0.5
309.22232	0.9
323.23853	3.4
325.25372	49.9
326.25681	4.5
369.24359	100.0
370.24640	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	369.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30483	0.2
50.41602	0.2
54.92414	0.3
57.03310	0.5
59.00061	1.9
59.01244	100.0
59.02555	1.2
60.01597	0.4
71.01252	0.3
78.95763	11.0
91.73360	0.5
92.24604	0.3
93.03345	0.3
96.83560	0.2
96.96822	3.4
112.59052	0.3
166.73694	0.3
210.26570	0.3
251.20305	1.1
265.21832	0.7
291.23297	2.9
303.25830	0.3
309.24472	0.8
369.21814	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	369.301
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
71.01225	1.8
74.20615	1.9
81.01019	1.4
85.73445	1.7
91.18407	1.5
100.74823	1.5
127.86864	2.7
128.87675	6.3
180.13768	1.8
193.12213	3.9
204.99765	2.6
307.30075	60.6
308.30432	3.4
326.40503	1.9
351.29083	19.8
369.09091	10.0
369.24915	3.3
369.30112	100.0
370.30331	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	371.0539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13949	0.2
53.93214	0.2
57.03317	7.3
59.01239	1.0
61.98687	0.8
63.99119	0.3
69.03324	0.3
71.89292	0.3
81.03307	1.3
83.01244	0.8
91.38327	0.3
92.97587	0.4
93.03329	1.8
95.01268	0.6
97.02818	0.5
105.03332	0.7
108.02024	0.4
109.02813	4.3
111.04366	0.3
120.01992	0.3
121.02808	3.9
125.02312	100.0
125.06111	1.3
126.02646	2.4
133.02829	0.6
137.02319	13.0
137.03381	0.7
139.03854	0.7
149.02330	5.2
149.05939	0.8
155.03371	1.0
156.02690	0.3
163.00240	1.2
164.01057	4.3
165.01833	14.3
166.02197	0.6
167.03394	1.1
175.03981	0.3
177.01842	68.7
177.08109	0.6
178.02203	2.8
178.84485	0.3
191.05544	0.6
197.04472	9.4
217.05035	0.5
231.02834	0.4
259.06076	1.0
303.05099	8.3
335.07773	6.7
336.08038	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0775
Annotation	(+)-Usararotenoid B
Peak:m/z	Relative Intensity
51.70526	0.5
54.08393	0.8
59.01228	1.8
72.30878	0.7
91.05374	1.5
93.03310	8.2
95.04880	0.9
99.02257	4.8
101.03828	35.4
101.04498	1.8
103.05386	1.5
105.03282	1.0
107.14731	0.7
108.02032	68.1
108.05215	0.8
109.02883	4.0
109.60854	0.7
111.00735	1.2
117.03316	5.9
119.04886	8.4
120.05209	0.7
120.09857	0.7
121.02821	11.1
121.06461	8.1
122.03600	0.9
123.00806	2.4
123.04389	44.2
130.51077	0.8
131.04906	18.3
132.02144	0.9
133.02844	7.7
134.03612	14.9
135.04366	2.0
137.02313	4.8
145.02800	1.9
146.03601	2.5
147.04436	7.6
149.02296	7.3
150.03134	4.6
151.03853	2.4
153.01868	0.8
155.04980	1.0
159.04405	5.6
161.02336	6.2
161.05991	0.9
162.03142	1.7
163.03915	7.0
164.04695	2.0
165.01805	1.8
169.06458	2.5
171.04355	1.1
173.02345	5.3
177.00298	1.3
177.01846	22.9
178.02637	25.1
179.03441	11.7
179.07019	7.1
180.72395	0.9
185.05989	2.1
190.96777	1.0
191.03424	54.5
192.04189	25.2
193.01346	3.9
193.04997	15.2
196.05249	1.2
197.05984	2.9
211.03960	1.4
212.04739	1.1
213.05556	8.9
214.05008	1.9
214.69608	0.9
217.01396	0.9
219.02940	22.5
220.03342	1.0
221.04503	1.8
223.04004	1.0
224.04721	2.0
225.05553	5.6
239.03413	1.2
240.04268	4.4
240.07819	1.8
241.05048	20.2
247.02472	57.6
248.02797	2.4
252.04213	1.4
253.05037	2.0
255.06680	3.0
256.07422	10.7
258.03662	1.0
267.03021	1.9
267.06494	1.5
268.03796	7.6
269.04578	15.1
274.91541	0.9
282.36935	1.0
283.06186	11.0
284.06900	22.7
285.06992	1.1
297.04089	3.8
299.05865	1.3
299.09109	5.8
300.06525	4.4
300.09357	0.8
312.02850	7.1
312.06189	1.3
313.03445	2.0
327.05197	11.1
327.08694	1.6
328.05927	17.0
328.09781	1.0
338.07822	1.8
341.10431	1.1
343.08240	36.9
344.08566	1.8
353.10229	2.2
356.05399	4.7
371.07706	100.0
372.08160	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	371.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73132	0.6
59.01239	3.0
62.33540	0.6
71.01241	1.2
71.26250	0.7
72.99181	1.6
73.02813	0.9
75.00739	1.1
78.82352	0.7
85.02789	0.7
87.00735	0.8
89.02326	0.8
93.03319	2.9
96.95865	0.6
100.62999	0.6
101.02267	0.7
102.05251	0.6
109.02809	2.0
119.04884	0.9
120.99520	100.0
121.02963	1.4
121.99892	1.5
125.02351	1.0
135.04382	1.1
147.04379	2.3
153.09103	2.8
159.04404	1.1
161.06007	2.6
165.05513	2.0
171.04453	1.0
172.05205	16.6
173.05884	1.5
179.03426	0.8
187.07573	4.8
189.05475	1.8
190.06277	25.9
191.03407	0.8
191.05432	1.3
197.08128	2.0
205.08633	21.1
209.04503	1.1
209.08183	2.7
249.07677	56.1
250.07996	2.1
371.09348	2.5
371.13547	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	371.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.2
59.01241	2.6
60.99167	0.9
61.98681	1.6
62.11275	0.4
67.01749	5.1
69.03323	2.3
71.01247	4.0
72.99177	2.3
73.02800	1.4
75.00758	0.4
80.91548	2.8
81.03297	1.2
83.01230	2.4
83.04851	0.7
85.02814	0.9
87.00747	0.7
89.00173	0.7
91.01740	0.6
93.03316	26.8
96.95835	0.7
97.02805	2.4
99.00750	0.9
107.04893	0.7
108.02060	0.7
109.02839	2.1
109.06423	0.4
111.00745	2.3
111.04389	4.8
113.02315	0.8
118.04111	0.5
119.04931	0.5
120.05682	0.8
121.02821	13.3
121.06309	0.5
121.67911	0.4
122.03666	0.4
123.04375	1.0
125.02309	1.0
125.09538	0.5
125.51014	0.4
127.00277	1.8
130.99704	0.4
135.04375	0.8
137.02316	5.7
138.03114	0.6
139.00232	0.6
146.03630	2.5
150.03090	0.8
151.03865	0.5
153.01770	0.6
153.05458	8.0
153.09065	0.7
155.03383	4.3
159.11658	0.4
161.02292	0.7
163.03894	0.8
163.07594	0.6
163.11208	0.8
165.01859	0.8
165.09116	10.2
173.04465	100.0
173.10379	1.0
174.03473	0.5
174.04774	2.6
175.11198	1.7
177.12770	3.2
179.03368	0.7
181.08633	0.6
182.02071	0.5
189.00327	0.7
191.05519	0.5
193.12224	1.5
197.04491	13.7
197.06317	0.7
198.04808	0.6
203.10703	3.5
204.99950	0.6
205.04774	0.5
209.04453	0.6
209.08145	3.5
221.08429	0.5
221.11807	5.4
237.11171	0.9
247.09712	0.4
265.10822	1.6
289.07278	2.0
311.05368	0.9
325.09271	0.5
353.08600	1.3
371.05237	0.8
371.09772	12.2
371.13654	1.3
372.10098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61269	0.9
59.01232	1.7
75.44895	0.9
86.23936	0.9
90.43382	0.9
90.69506	0.9
93.03325	1.1
108.02036	4.2
109.02814	2.8
119.04900	19.7
120.65440	1.0
121.02832	3.8
123.04415	3.1
124.04804	0.9
133.06508	1.9
134.03635	2.8
135.04408	1.3
145.02812	2.6
146.03557	1.5
147.04405	50.3
148.03998	2.2
148.05190	44.9
148.43698	1.0
149.02348	2.6
149.05609	1.4
150.03139	6.9
151.03885	4.5
153.01826	1.3
160.05203	2.9
161.05983	13.3
162.03127	8.7
162.06792	6.4
163.03891	2.3
163.07523	2.9
164.04639	2.8
165.05470	1.9
174.03148	4.3
175.03943	3.4
176.04718	13.6
177.01880	1.3
178.02600	1.6
179.03508	1.2
180.04239	9.1
189.05447	6.9
190.06265	3.5
191.03427	96.2
191.07054	79.5
191.08849	2.3
192.04163	11.3
192.07469	1.9
193.04985	1.3
194.05775	10.2
195.06505	1.3
195.08145	3.3
196.05312	1.2
203.07143	1.6
206.05765	19.9
206.07314	1.7
207.06320	1.9
207.08052	5.7
209.06010	3.1
211.07622	3.2
220.03734	15.3
220.05600	1.3
221.06087	3.5
222.06815	2.6
223.07608	4.4
224.03149	11.4
233.04414	9.8
233.06458	1.1
234.05240	7.0
235.06035	29.1
236.06500	1.3
237.05650	3.5
238.04788	36.2
239.07138	9.7
247.06149	2.9
249.05550	4.1
250.06454	3.1
251.07138	18.9
252.07855	2.0
261.05704	1.3
262.06219	1.4
263.07132	6.8
264.07907	3.2
265.05225	2.0
265.08743	1.6
266.05792	3.4
266.09772	1.4
267.06647	38.3
268.07410	18.4
277.04980	1.3
277.08923	1.3
278.05807	2.1
279.06662	22.0
279.09711	0.9
281.08435	1.9
282.08923	9.5
283.09540	5.3
284.10388	1.3
293.08115	1.7
294.05411	5.6
294.09024	9.0
295.06085	10.7
297.11377	4.3
299.12900	4.7
307.06146	3.9
308.06830	1.7
309.07764	12.5
309.11215	2.0
310.08496	2.6
311.05606	3.4
311.08972	1.3
312.06378	5.9
322.08575	6.5
323.05655	20.4
323.09177	2.8
324.06076	1.3
326.08011	8.5
327.08688	14.4
327.12451	14.9
328.12714	1.8
337.07281	1.2
338.03998	1.4
338.07977	25.1
339.08249	2.1
341.10312	37.2
342.10861	1.7
353.10333	55.3
354.10632	2.6
356.08911	1.8
356.41586	1.0
371.11380	100.0
372.11716	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	371.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29357	0.7
59.01228	2.1
67.01743	0.7
68.99667	0.8
73.65961	0.6
76.90375	0.7
79.33139	0.6
86.75482	0.9
90.89731	0.7
93.03293	0.8
94.61034	0.8
95.01205	1.0
95.26427	0.8
106.03275	0.8
108.02026	36.7
109.02234	0.8
109.02827	10.4
120.02017	1.0
121.02802	3.2
123.00743	5.0
123.04387	26.7
124.01524	2.4
131.04881	5.2
133.02831	1.2
135.04387	1.4
136.01515	1.6
145.02802	1.5
146.03600	1.7
147.04385	2.1
149.02313	0.8
151.03922	1.2
158.03607	3.3
159.04401	5.8
160.05183	1.1
161.02344	10.5
163.03871	1.8
167.03412	1.3
172.05269	0.9
173.02356	3.4
173.05928	1.1
174.03096	9.4
175.03914	26.2
176.04555	2.5
177.05405	1.9
179.03386	1.8
185.02312	1.0
187.03925	4.9
188.04691	4.2
189.01845	3.4
189.05414	4.6
190.99854	0.9
201.01840	5.1
202.00754	1.0
202.02650	19.9
203.03423	16.9
203.07024	1.1
204.03975	1.8
205.05016	0.9
206.01938	0.9
208.03815	1.0
215.03436	2.1
217.05022	13.3
218.05479	0.8
218.34818	0.7
221.08122	1.0
232.03833	1.7
239.07111	1.5
242.62318	0.8
247.06070	6.2
249.05554	1.4
251.07086	1.2
252.04161	1.1
256.03806	2.3
265.04929	1.4
266.05832	1.6
267.06613	5.8
277.05148	1.5
278.05771	1.5
279.06650	2.5
281.08051	1.1
283.06039	1.0
293.04514	2.3
294.05344	2.3
295.06152	5.3
305.04581	1.4
306.05457	0.9
307.06104	2.2
308.03369	2.5
309.07837	3.7
310.08331	0.9
311.05615	5.3
321.07593	1.5
321.74008	0.9
322.04919	3.8
323.05612	4.9
325.07214	9.3
326.07938	11.9
327.08350	1.1
337.07156	2.8
338.07910	3.1
341.10312	100.0
342.10733	7.6
343.11996	1.1
353.10321	34.6
354.10709	1.4
371.07651	1.4
371.11444	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	371.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61269	0.9
59.01232	1.7
75.44895	0.9
86.23936	0.9
90.43382	0.9
90.69506	0.9
93.03325	1.1
108.02036	4.2
109.02814	2.8
119.04900	19.7
120.65440	1.0
121.02832	3.8
123.04415	3.1
124.04804	0.9
133.06508	1.9
134.03635	2.8
135.04408	1.3
145.02812	2.6
146.03557	1.5
147.04405	50.3
148.03998	2.2
148.05190	44.9
148.43698	1.0
149.02348	2.6
149.05609	1.4
150.03139	6.9
151.03885	4.5
153.01826	1.3
160.05203	2.9
161.05983	13.3
162.03127	8.7
162.06792	6.4
163.03891	2.3
163.07523	2.9
164.04639	2.8
165.05470	1.9
174.03148	4.3
175.03943	3.4
176.04718	13.6
177.01880	1.3
178.02600	1.6
179.03508	1.2
180.04239	9.1
189.05447	6.9
190.06265	3.5
191.03427	96.2
191.07054	79.5
191.08849	2.3
192.04163	11.3
192.07469	1.9
193.04985	1.3
194.05775	10.2
195.06505	1.3
195.08145	3.3
196.05312	1.2
203.07143	1.6
206.05765	19.9
206.07314	1.7
207.06320	1.9
207.08052	5.7
209.06010	3.1
211.07622	3.2
220.03734	15.3
220.05600	1.3
221.06087	3.5
222.06815	2.6
223.07608	4.4
224.03149	11.4
233.04414	9.8
233.06458	1.1
234.05240	7.0
235.06035	29.1
236.06500	1.3
237.05650	3.5
238.04788	36.2
239.07138	9.7
247.06149	2.9
249.05550	4.1
250.06454	3.1
251.07138	18.9
252.07855	2.0
261.05704	1.3
262.06219	1.4
263.07132	6.8
264.07907	3.2
265.05225	2.0
265.08743	1.6
266.05792	3.4
266.09772	1.4
267.06647	38.3
268.07410	18.4
277.04980	1.3
277.08923	1.3
278.05807	2.1
279.06662	22.0
279.09711	0.9
281.08435	1.9
282.08923	9.5
283.09540	5.3
284.10388	1.3
293.08115	1.7
294.05411	5.6
294.09024	9.0
295.06085	10.7
297.11377	4.3
299.12900	4.7
307.06146	3.9
308.06830	1.7
309.07764	12.5
309.11215	2.0
310.08496	2.6
311.05606	3.4
311.08972	1.3
312.06378	5.9
322.08575	6.5
323.05655	20.4
323.09177	2.8
324.06076	1.3
326.08011	8.5
327.08688	14.4
327.12451	14.9
328.12714	1.8
337.07281	1.2
338.03998	1.4
338.07977	25.1
339.08249	2.1
341.10312	37.2
342.10861	1.7
353.10333	55.3
354.10632	2.6
356.08911	1.8
356.41586	1.0
371.11380	100.0
372.11716	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	371.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37071	0.2
52.29352	0.7
52.29559	0.3
59.01231	1.0
59.37419	0.2
68.48081	0.4
70.03324	0.2
87.00753	0.7
93.03314	0.8
95.78220	0.3
99.09049	0.2
104.84569	0.2
106.04080	0.3
107.04890	1.0
108.02063	0.4
109.02831	0.9
117.03307	0.4
119.04894	4.3
121.02829	1.5
123.00774	0.5
123.04404	0.3
131.04912	0.4
132.02039	0.8
133.02858	1.8
133.52338	0.3
134.03613	100.0
134.07755	1.3
135.04027	1.8
136.01540	3.0
137.02333	2.4
138.03070	0.3
145.06438	0.4
146.03621	0.7
147.04413	5.8
148.05199	0.6
149.02397	0.8
149.05969	42.9
150.06323	1.2
151.03902	1.1
153.05484	1.5
159.04390	0.3
160.05167	0.4
162.03145	1.0
163.03960	0.6
164.04643	0.5
165.05473	0.5
173.05984	1.0
175.07710	0.3
177.01848	0.9
177.05481	3.7
179.03381	3.0
192.04211	8.6
193.04889	0.5
195.06612	0.4
265.08737	0.6
266.09808	0.4
281.11899	0.7
282.09161	0.4
297.11313	0.8
312.10162	0.6
327.12430	0.8
356.09103	1.2
371.11377	42.0
372.11624	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	371.1137
Annotation	8-Hydroxypluviatolide
Peak:m/z	Relative Intensity
59.01234	1.1
59.54512	0.3
61.98687	0.3
62.57732	0.2
66.81829	0.2
71.01267	0.4
72.45797	0.3
93.03301	0.7
94.33599	0.3
95.04865	0.8
101.01147	0.3
101.44402	0.3
105.03320	5.3
106.04153	0.4
108.02033	0.3
109.02799	0.6
109.99944	0.5
117.03341	0.4
121.02834	1.6
122.03511	0.3
123.04407	1.0
125.02275	0.5
132.02048	0.6
133.02831	42.9
134.03624	15.9
135.04369	0.4
137.02325	7.4
139.03900	2.1
145.02890	0.6
146.03619	14.5
147.04274	0.5
149.02347	2.5
149.04807	0.5
149.05974	6.7
150.03032	0.5
151.03891	0.7
152.01115	0.4
153.01833	2.2
160.01630	0.3
161.02344	16.6
161.05968	5.8
161.07193	0.5
162.03047	1.1
163.03899	0.8
164.04692	11.4
165.05260	0.4
175.03911	0.7
177.01849	10.5
177.05447	0.7
178.02565	2.2
179.03545	1.3
179.07053	41.5
180.07420	0.9
186.73346	0.3
191.03572	0.5
192.04210	74.3
192.11331	0.7
193.04988	100.0
193.12209	0.8
194.05321	2.6
195.06500	0.4
202.02539	0.3
217.05058	0.4
233.04518	0.4
234.05392	0.3
285.07767	0.4
295.06042	0.6
297.07751	0.8
311.08466	0.4
311.12698	0.5
313.07199	1.0
323.05658	0.5
338.07996	0.9
341.06750	1.1
341.10388	2.7
353.10394	2.7
356.09030	4.0
371.11426	10.8
371.18826	1.2
371.25656	0.5
372.11871	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01188	1.4
61.98698	2.2
68.99641	0.9
69.03263	0.3
71.01211	0.5
80.02495	0.8
81.03317	1.5
83.01180	0.4
90.86886	0.9
90.87486	0.9
93.03265	0.9
94.74669	0.5
95.01201	0.5
107.01186	0.3
108.02026	10.3
109.02818	5.7
111.00761	2.0
117.03283	0.8
119.04819	1.0
121.02811	1.7
122.03553	1.4
123.00737	3.5
123.04390	3.0
124.01540	3.6
125.02238	0.9
133.02776	0.7
134.03613	4.0
135.00734	0.5
135.04396	2.9
136.01454	1.2
137.02248	1.0
139.00200	0.4
145.02789	1.4
147.04332	1.1
148.01538	1.7
149.02237	1.0
149.05859	0.5
150.03113	1.8
151.00279	0.4
151.03822	1.2
152.00986	1.6
153.05420	0.6
159.04341	1.0
159.73517	0.3
160.05167	0.5
161.02347	1.8
161.05928	0.6
162.01935	0.3
162.03131	6.1
162.98308	0.4
163.03908	14.9
164.04152	0.4
165.01830	3.2
175.03920	2.5
176.04619	0.4
177.01794	1.2
177.05394	0.8
178.02586	1.5
179.03435	2.4
180.04109	0.4
187.03899	1.0
188.04695	2.1
189.05466	0.7
191.03470	1.8
193.04941	0.4
203.06955	1.1
205.04936	1.4
251.07118	0.4
267.06598	0.7
269.04614	0.4
279.06638	0.7
281.08148	0.5
285.07678	0.5
295.06152	0.6
296.06909	2.1
311.09299	1.9
312.09790	0.4
313.07239	1.0
325.07297	2.2
326.07822	0.6
327.27219	0.4
328.09570	0.9
338.08047	0.7
341.06610	0.6
341.10382	1.1
355.08228	1.5
356.09036	63.0
357.09344	4.6
371.11386	100.0
372.11694	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	371.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19011	1.1
52.26548	0.5
53.01697	1.2
59.01241	6.9
65.34206	0.4
90.86948	1.3
90.87456	1.0
93.03293	1.0
96.01482	0.5
96.46319	0.6
107.04894	1.3
108.02016	1.5
109.02813	12.2
116.53951	0.5
119.04930	0.9
121.02820	2.4
123.00700	0.6
123.04378	1.1
124.01490	0.9
125.02282	0.7
133.06450	0.6
134.03624	3.5
135.04362	0.9
136.01515	1.1
136.94096	0.6
137.02322	76.3
138.03127	15.8
145.02856	1.3
146.03654	0.7
147.00768	0.6
147.04414	1.7
148.01558	2.5
149.02298	1.6
149.05998	2.3
150.03116	1.1
151.03897	13.0
151.75510	0.6
153.01819	1.5
153.05489	1.4
160.05121	0.7
161.02359	1.4
162.03180	0.8
163.03952	2.9
170.02103	1.8
173.02370	0.8
175.03925	1.4
176.01013	0.7
176.04695	0.7
177.01904	1.0
177.05449	1.0
178.02606	1.1
178.06262	0.6
179.03429	4.7
180.04164	2.3
188.04726	1.8
189.05516	0.9
190.06445	0.6
191.03409	1.8
192.04187	0.7
193.05037	0.6
195.06572	0.7
206.05785	2.4
219.06667	0.7
239.07161	0.6
252.24756	0.7
279.06396	0.6
281.11942	0.6
295.06168	1.5
296.06882	2.0
296.10352	0.9
311.09247	3.0
311.12912	4.0
326.07767	1.2
327.08585	1.4
327.12103	0.8
327.26923	0.8
328.09445	1.0
338.08035	0.7
341.10208	2.6
353.10431	0.9
355.08249	3.6
356.09036	86.7
357.09399	5.0
371.11383	100.0
372.11649	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	371.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27781	0.7
59.01243	9.4
62.81901	0.6
64.78996	0.6
66.05471	0.6
69.96612	0.7
71.01231	1.0
74.12901	0.8
91.01751	2.8
91.42142	0.7
91.72766	1.3
93.03312	10.7
95.04872	1.1
105.03332	0.7
107.04887	3.2
108.02026	2.4
109.02815	4.2
117.03394	1.0
119.04901	2.0
121.02822	18.4
123.04394	10.8
123.86652	0.8
133.02838	4.9
134.03607	1.5
135.04408	1.7
136.01564	1.5
145.02803	1.0
146.03638	2.4
147.04420	0.9
149.02341	14.3
149.05930	1.2
150.03125	5.3
151.03903	13.7
157.01112	0.9
160.05179	1.0
161.02347	1.9
161.05942	1.1
162.03122	2.0
163.03908	2.1
164.04654	1.1
165.01822	5.3
177.01851	15.7
178.02625	15.5
179.03410	100.0
179.06779	4.1
180.03806	2.4
188.00810	0.8
191.03493	4.2
192.04193	11.6
193.04967	10.4
194.02097	1.1
195.02980	1.3
209.04462	4.5
233.63753	0.8
260.15439	0.9
260.50806	0.9
267.06699	2.7
282.09064	1.0
296.06796	1.1
297.11292	1.6
311.09113	1.4
327.12292	2.2
327.26990	9.4
345.45132	1.0
353.10416	0.9
356.09143	1.0
371.07544	2.1
371.11414	5.1
371.26001	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	371.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94578	0.5
52.63063	0.5
55.41457	0.5
59.01237	4.3
61.98668	0.8
68.60484	0.5
68.60807	0.6
68.99673	0.6
70.64681	0.5
73.24579	0.5
81.28409	0.5
82.74515	0.5
93.03294	2.5
107.04861	0.6
108.02019	3.0
109.02814	59.4
109.05949	0.7
110.03103	1.1
117.03312	0.7
121.02010	0.6
121.02811	6.4
123.00758	0.8
123.04362	2.0
132.71390	0.7
134.03555	0.6
135.04338	0.8
136.01540	23.3
137.02240	0.7
145.02843	6.0
146.03612	2.2
147.04427	2.9
149.02280	3.3
149.09593	5.7
150.03114	0.9
151.03900	30.1
152.04184	1.0
158.03641	2.9
159.03111	0.9
159.04424	11.9
160.05196	48.6
161.02309	0.9
161.04387	2.8
161.05615	1.5
162.03082	2.5
163.03944	3.2
163.05147	0.7
164.04663	2.4
174.03134	1.1
175.03882	1.8
175.07562	29.0
176.04657	1.6
176.07861	0.9
177.01863	5.0
178.02620	1.5
179.03374	1.4
179.07097	0.7
187.04066	0.6
189.05475	1.3
191.07028	1.5
192.04204	3.7
193.04913	2.1
193.06473	0.8
197.06041	1.0
198.03215	0.7
211.07570	5.1
221.06001	2.6
222.06705	1.5
223.07561	1.8
224.04808	0.7
225.05458	0.8
238.06277	1.8
239.07117	17.6
240.07463	0.8
243.50845	0.7
249.05521	3.3
250.06302	8.3
251.06761	0.7
266.05713	3.8
267.06638	100.0
268.07004	5.9
272.33997	0.7
281.08316	0.7
282.08981	72.5
283.06372	1.0
283.09064	3.2
295.06335	1.2
296.06909	4.7
297.11322	70.7
298.11688	4.2
311.05676	1.9
311.09274	6.5
312.10083	10.6
327.12396	82.1
328.12704	5.9
341.10336	2.2
353.10321	0.8
356.08865	2.0
371.11392	17.3
371.25296	1.1
372.11722	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34051	0.1
55.01777	0.1
55.59909	0.1
57.03302	0.1
59.00970	0.1
59.01242	1.6
64.87941	0.1
67.01736	0.2
69.03305	0.5
71.00916	0.1
71.01244	1.0
73.02806	0.6
78.95764	0.2
81.03316	0.5
83.01208	0.1
83.04866	0.5
85.02805	9.0
86.03152	0.2
87.00734	2.3
89.02284	0.2
93.02767	0.2
93.03318	2.8
97.02810	0.4
99.04388	0.3
101.02311	0.2
109.02800	0.8
111.04367	1.1
113.02314	0.1
123.32628	0.1
127.02988	0.2
127.03880	2.1
132.59001	0.1
136.93834	0.3
141.01810	0.1
171.02866	0.6
173.04433	0.8
190.98662	1.0
191.05537	100.0
191.13126	0.7
192.05911	2.5
206.95416	0.6
207.95674	0.1
263.93396	0.1
298.98276	0.1
310.99692	0.5
329.01416	0.7
371.12012	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.6
65.20999	0.1
65.81736	0.1
67.01744	0.4
69.03320	0.4
69.54794	0.2
71.01228	0.7
71.16486	0.2
73.02808	0.5
75.95721	0.2
78.36289	0.2
79.16705	0.2
81.03329	0.3
82.43364	0.2
83.04868	0.4
85.02805	8.4
87.00719	2.0
87.57567	0.2
93.03327	2.7
99.04363	0.4
101.02312	0.2
109.02805	0.6
111.04382	1.1
113.02329	0.3
127.03875	2.0
133.27191	0.2
137.74860	0.2
151.49533	0.2
171.02866	0.6
173.04515	1.0
190.98734	1.0
191.05539	100.0
192.05893	2.6
193.05690	0.2
371.11819	0.4
377.37994	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	371.1348
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
51.26267	0.2
57.03301	0.8
59.01238	2.5
59.41153	0.4
59.41463	0.2
59.78977	0.2
61.98672	0.4
64.95547	0.2
65.86151	0.2
69.03298	0.4
71.01242	4.3
72.99147	0.6
73.02809	1.9
75.39439	0.2
78.95735	0.3
82.95242	0.3
83.01233	1.0
85.02802	2.3
87.00749	0.5
88.03899	0.6
89.02298	0.5
93.03326	2.4
95.04885	0.4
97.02835	0.3
98.02348	0.3
99.00732	0.9
101.02301	2.4
102.05459	0.6
106.04112	0.9
107.04886	3.2
109.02776	0.6
109.06482	0.3
113.02304	2.3
119.04893	1.6
121.02811	2.0
123.04417	0.3
125.02371	0.3
127.00237	0.6
128.03404	1.0
129.10217	0.3
130.08601	1.1
135.08098	0.5
137.02309	0.5
147.04356	0.3
147.08060	0.8
149.02312	1.5
149.05959	0.3
153.05367	0.3
159.02919	0.4
161.04500	2.3
163.07545	4.3
163.68199	0.3
165.09106	100.0
165.15070	1.0
166.09460	2.7
173.04465	4.0
175.02415	0.4
191.05534	1.3
197.04468	0.7
199.18045	0.3
203.10681	0.4
209.08133	35.9
210.08525	1.3
210.16798	0.3
243.17175	0.7
247.33286	0.3
289.38019	0.3
312.11801	0.3
327.26974	0.7
371.13504	19.9
371.26462	0.6
372.13812	1.0
372.21219	1.0
372.88168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65758	0.2
50.99295	0.3
57.03301	0.6
59.01009	0.3
59.01245	2.9
60.99158	0.5
64.11724	0.3
67.01426	0.4
67.01750	4.4
69.03311	1.0
71.01237	2.6
73.02795	0.4
83.04857	1.1
84.70112	0.3
85.02794	0.9
93.03317	24.2
99.00739	0.4
101.02311	0.5
109.02839	0.7
111.00781	0.6
111.04388	5.4
114.25157	0.3
122.54324	0.3
127.03862	0.5
128.95607	0.4
129.01822	0.4
137.02316	4.7
145.06102	0.9
153.09106	9.1
155.03394	4.2
173.04463	100.0
173.10687	1.0
174.04767	1.3
175.83391	0.4
191.05492	2.8
195.46274	0.3
197.08139	4.6
207.10013	0.4
254.91772	0.4
291.16037	0.8
335.17270	0.4
371.13510	7.1
371.18091	1.2
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	Grevilloside C
Peak:m/z	Relative Intensity
51.03346	0.4
56.82663	0.5
58.99928	0.6
59.01242	46.0
59.02411	0.9
61.98679	0.5
67.93481	0.5
68.22613	0.9
71.01240	2.5
72.99160	3.5
73.02797	1.2
74.02322	0.7
75.00723	1.2
78.95742	1.0
81.03294	1.0
83.01248	0.8
85.02801	1.7
87.00735	0.5
87.44346	0.6
88.03867	1.2
93.03303	1.1
96.95866	1.6
99.00722	0.5
99.04381	1.2
101.02307	0.9
106.04084	1.8
107.04893	1.2
111.04358	0.5
111.08034	0.9
114.05466	0.6
115.08646	0.6
119.04955	0.7
120.01115	1.0
123.04361	0.6
125.02311	4.2
128.03415	0.6
135.02802	1.1
136.01503	1.4
137.02318	1.2
139.03889	0.8
146.03590	0.9
147.04387	0.7
147.08057	3.5
149.00737	0.8
149.05968	65.5
149.10680	0.8
150.06311	1.8
151.03874	2.1
162.03119	0.6
163.07544	0.7
165.05370	0.6
167.03407	11.2
173.04462	1.1
176.04736	1.0
177.05617	0.6
179.03365	0.6
191.05525	4.4
191.07016	0.7
197.04457	1.8
209.08133	100.0
210.08495	3.7
210.61038	0.5
219.06665	0.7
221.84529	0.5
237.12456	0.8
243.16922	0.5
251.05637	2.1
268.58890	0.9
281.06592	1.1
287.07632	0.8
363.75366	0.6
371.13528	66.4
371.18631	2.2
372.13766	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	371.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03286	2.3
59.01228	4.9
69.59879	1.1
83.04878	1.4
91.96590	1.1
98.78635	1.3
107.04877	1.3
117.56493	1.2
119.04870	2.2
121.09177	1.2
125.09570	1.8
137.02310	3.4
137.09595	1.8
149.06007	1.5
149.76501	1.2
151.11162	1.4
155.10652	3.0
170.53363	1.2
171.10132	3.1
247.20653	31.3
265.21747	4.6
273.18628	4.1
291.19757	19.7
291.23178	2.8
309.20728	23.1
320.54639	1.5
327.21820	41.2
327.26617	5.6
328.22021	2.5
335.22324	2.0
353.19632	4.1
353.23447	1.7
356.09100	3.9
371.11230	5.4
371.20688	100.0
371.24881	17.6
372.21109	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	371.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91848	1.0
57.24355	0.3
58.97248	0.3
59.60773	0.3
59.90938	0.3
74.85190	0.3
93.03305	0.9
117.03331	34.6
117.06742	0.4
118.04130	9.0
119.04897	39.3
120.05231	0.6
121.02821	8.6
123.04401	2.1
133.02837	2.5
134.03593	0.9
145.02837	66.2
146.03174	1.3
147.04414	0.4
148.41490	0.3
162.03133	2.7
163.03912	13.9
171.16711	0.3
179.90125	0.3
312.00998	0.4
325.96851	0.4
371.22302	100.0
372.22662	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	371.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43648	0.3
54.91843	1.2
55.56534	0.3
56.27758	0.3
56.30374	0.2
65.48666	0.3
67.49448	0.3
68.02557	0.3
78.50009	0.3
79.12937	0.3
81.73671	0.3
91.73401	0.6
93.03297	0.4
93.43104	0.3
93.98794	0.3
103.38472	0.3
108.68281	0.3
110.36250	0.4
117.03325	36.5
118.04138	8.0
119.01666	0.6
119.04893	40.6
120.05214	1.2
121.02818	9.3
123.04374	2.7
131.73007	0.4
133.02803	2.2
134.03592	1.1
144.98415	0.6
145.02832	69.5
146.03180	2.3
162.03146	3.2
163.03912	15.5
164.04205	0.3
189.37166	0.4
288.05402	0.3
327.23444	0.4
327.26962	2.6
339.03082	0.3
371.22275	100.0
372.22641	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	371.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91867	1.3
54.92084	0.8
59.01231	1.6
61.61919	0.7
85.69603	0.6
92.02556	0.7
93.03312	0.8
101.01929	0.7
102.84935	0.7
105.26177	0.8
106.04116	1.3
107.04871	0.9
117.03328	34.3
118.04148	4.8
119.04889	43.2
120.05313	0.9
121.02816	12.2
123.04387	2.7
133.02820	2.2
133.06445	1.6
134.03622	1.7
140.09094	0.7
144.98279	0.9
145.02831	67.5
146.03178	1.6
162.03175	3.7
163.03900	14.3
212.51653	0.7
235.18233	0.7
235.80956	0.7
241.92992	0.7
253.21680	8.4
327.26941	27.6
328.27167	2.1
371.22244	100.0
371.26089	23.6
372.22568	6.7
372.26434	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	371.244
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
56.66162	1.1
58.20925	0.9
59.01250	3.7
79.26330	1.1
79.45334	1.2
94.31633	1.1
97.06445	1.2
105.87930	1.1
119.04890	2.3
121.02810	17.1
121.41991	1.1
123.08051	3.4
125.09605	1.8
125.99538	1.2
128.14641	1.2
137.09610	3.6
139.11220	1.6
153.12761	2.4
160.85097	1.2
165.12810	1.7
167.14287	1.3
171.10187	2.7
179.03523	2.0
185.26031	1.4
199.13310	2.4
206.17342	1.3
215.12753	2.5
263.23807	3.4
291.23343	7.7
307.22769	2.8
317.21094	2.2
325.23874	4.6
327.27118	8.5
335.22308	17.1
353.23309	7.5
356.08856	1.7
371.11206	6.1
371.24402	100.0
372.24658	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	371.2591
Annotation	3-Oxo-chol-4-en-24-oic acid
Peak:m/z	Relative Intensity
52.75229	0.3
55.89273	0.3
62.95710	0.3
71.86308	0.4
76.39617	0.4
76.67596	0.4
87.05413	1.4
87.05977	0.7
92.02509	1.9
106.04102	8.8
107.04930	2.5
108.02037	0.5
119.04890	20.3
120.05225	0.5
121.02827	7.4
127.51972	0.4
133.06483	5.9
137.02376	0.4
147.08025	0.7
161.09598	1.2
162.10013	0.5
175.11201	2.1
189.12779	1.0
203.14354	0.6
217.15878	0.5
229.15926	0.6
232.51360	0.4
290.64825	0.4
327.26953	100.0
328.27286	6.5
371.25934	93.9
372.26227	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	371.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89567	0.2
52.28061	0.2
63.32875	0.2
87.05416	1.0
92.02528	1.8
93.03300	0.4
95.01223	0.3
98.38766	0.2
99.16490	0.3
101.80169	0.3
106.04107	6.7
107.04890	3.0
108.02021	0.5
119.04893	20.1
120.05212	0.5
121.02822	7.8
133.05486	0.4
133.06471	5.8
135.04465	0.3
147.08055	0.5
161.09619	1.8
169.26305	0.2
175.11168	1.9
178.58073	0.3
189.12762	1.1
203.14375	1.0
215.14227	0.4
217.15988	0.8
229.15730	0.3
231.17563	0.5
263.41415	0.3
327.11731	0.9
327.26953	98.7
328.27307	7.7
371.07404	1.0
371.25934	100.0
372.26297	6.9
379.27982	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01933	0.7
53.04170	0.5
59.01244	13.1
62.52728	0.7
67.01704	0.9
71.01215	1.8
75.00713	1.2
82.95258	6.9
83.02344	1.2
87.00743	1.0
92.63551	0.6
93.03285	3.3
96.95840	1.3
100.91994	0.8
101.02297	0.7
107.44395	0.7
109.02779	2.2
110.37675	0.7
111.58174	0.8
121.02781	1.9
121.56848	0.7
125.02359	0.9
131.04903	1.0
136.01537	7.7
137.02315	2.3
139.03886	1.0
141.06993	1.5
148.05190	0.8
149.02412	1.2
151.03908	17.3
151.07527	1.3
155.04997	0.8
159.04375	1.7
165.05644	1.4
165.06912	0.8
167.03365	2.5
167.04814	0.9
167.08539	2.6
169.06497	5.6
170.00266	0.7
172.05148	1.5
173.04468	8.0
174.68532	0.8
178.99759	1.8
183.04451	1.8
183.08066	2.5
184.05177	1.4
185.05997	10.9
185.09659	1.8
187.04033	1.0
187.07526	1.1
189.27530	0.9
193.04936	1.8
193.06520	3.7
195.08086	11.4
196.08440	0.9
197.06004	5.4
198.06787	8.3
209.06099	1.0
210.06822	6.1
211.07594	100.0
212.08055	5.6
213.05623	3.1
213.09158	52.1
213.17178	1.0
214.09503	2.0
215.07077	1.7
221.06021	4.4
222.06807	3.3
223.07607	16.8
225.05501	1.1
229.05063	2.7
230.05847	1.2
231.06531	1.3
237.05597	1.2
238.06331	1.5
239.07130	27.4
240.07552	1.4
241.05035	5.0
241.08731	6.2
242.05516	0.8
249.05586	2.6
255.06630	26.6
255.09174	1.7
257.08188	52.3
258.08524	2.4
265.05060	1.0
267.06650	14.2
283.06122	21.5
284.06381	1.5
285.07681	4.5
293.04761	1.2
299.05664	10.1
301.07156	23.4
302.07736	2.1
311.05713	3.9
325.10941	1.0
329.06760	2.5
329.28543	1.5
355.04562	2.9
373.05716	28.5
373.15375	1.7
374.06012	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63449	0.2
71.94815	0.2
73.15778	0.2
77.53828	0.3
79.03018	0.2
84.33237	0.2
87.55936	0.7
87.56531	0.4
92.02527	1.5
106.01295	0.2
106.03387	0.5
106.04100	7.6
107.04878	0.6
108.02020	0.6
119.04894	10.4
119.05754	0.5
120.05709	0.3
121.02818	5.6
133.06462	2.7
137.02252	0.2
146.06215	0.2
161.09589	1.1
175.11209	1.6
189.12779	2.7
202.20636	0.3
203.14346	1.4
217.15967	0.9
231.17419	0.5
292.62689	0.3
329.28516	100.0
373.27502	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	373.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
73.15803	0.2
73.28091	0.2
77.53827	0.4
79.05033	0.2
87.55959	0.6
87.56539	0.3
92.02532	1.6
95.01244	0.3
106.04103	8.4
107.04881	0.7
107.23013	0.2
108.02016	0.8
108.02765	0.2
119.04893	10.2
120.05682	0.3
121.02817	6.3
131.33177	0.2
133.06464	3.3
137.02325	0.5
159.23615	0.2
161.09636	1.4
175.11201	1.5
189.12770	2.9
203.14354	1.9
217.15915	1.0
231.17465	0.9
261.78683	0.2
292.62766	0.2
293.36072	0.2
327.26886	0.2
329.28506	100.0
372.85562	0.2
373.27490	66.1
373.47464	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36053	0.5
59.01241	25.5
61.15009	0.4
68.80936	0.5
71.01241	0.9
73.02804	0.5
85.29274	0.5
87.42107	0.5
93.03342	0.9
94.83607	0.6
102.24691	0.6
103.05394	41.8
105.07027	0.8
107.04892	2.2
107.98803	1.2
108.02029	100.0
108.04875	1.5
109.02896	4.8
119.04883	2.7
121.02837	2.2
121.06464	0.9
123.04385	55.1
123.07840	1.2
124.04745	1.6
133.02838	3.6
133.06462	2.3
134.03603	3.9
135.00761	1.0
135.04413	3.5
136.01585	2.7
144.08066	0.7
147.04381	1.6
149.02303	1.4
149.05949	3.5
150.03152	1.8
151.03902	6.9
153.01836	1.3
161.02324	0.8
161.05981	1.3
163.00256	14.7
165.05490	1.4
175.03923	5.9
177.01929	0.9
177.05495	13.2
179.03435	2.9
179.07014	0.8
188.07115	1.5
190.02621	4.4
193.04988	49.3
194.05434	1.9
195.06607	1.2
205.05008	28.0
206.05432	1.1
216.06607	2.7
219.02983	1.6
239.05600	9.6
249.04031	79.5
250.04376	2.7
254.96965	0.5
270.05292	0.6
285.07690	1.9
298.08463	0.8
313.10782	1.5
313.16528	1.0
329.10626	0.6
329.28540	2.6
332.63467	0.6
343.11877	2.5
345.09979	0.8
358.10397	2.5
373.08975	4.4
373.13321	4.5
373.27396	1.9
374.09552	0.9
375.82761	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0934
Annotation	Homotrichione
Peak:m/z	Relative Intensity
50.21655	0.5
56.16891	0.5
57.15008	0.5
59.01246	6.0
71.01215	2.2
85.02784	0.7
91.01743	1.0
93.03261	0.7
96.95851	0.7
98.35744	0.6
102.64977	0.6
105.01785	1.2
108.02043	5.4
109.02814	33.0
109.35988	0.6
110.03248	0.7
120.99519	45.8
121.02787	2.0
121.99834	0.7
122.03595	5.5
123.04383	7.1
125.02333	1.3
135.04376	5.7
136.01540	5.8
137.02298	1.7
139.97632	0.7
143.04927	0.7
145.02863	0.8
147.02888	2.4
147.04391	6.4
148.05194	15.9
149.05959	1.6
151.03899	11.5
153.01765	0.7
154.02533	1.0
159.04413	16.4
160.05061	1.0
161.05977	26.5
162.06313	0.8
173.04433	0.8
174.03117	0.8
185.06044	0.8
187.03929	6.9
192.07849	13.3
197.06097	0.7
199.07596	1.0
201.05453	0.9
203.07014	1.3
205.04941	1.0
206.05298	0.8
207.10196	6.8
210.06636	0.7
211.04077	1.0
212.04720	1.9
213.05479	3.2
215.03473	0.8
224.04704	3.3
225.05501	2.1
229.05011	7.0
231.03096	0.9
237.05420	1.0
239.03328	1.1
240.04250	10.2
241.05031	38.5
242.02275	0.7
242.05682	5.7
243.02930	1.7
244.07402	2.1
251.07210	1.4
251.09265	20.2
252.07870	2.0
252.99005	0.9
253.04944	1.0
253.08713	2.2
254.05820	1.4
255.06631	4.1
257.08292	1.9
267.06702	2.6
267.10266	2.0
268.07376	3.1
269.08203	16.9
270.08997	7.9
271.02493	12.0
272.02945	0.9
283.02884	1.1
283.09735	2.4
285.11337	22.3
286.11731	1.7
289.07114	2.0
290.07516	4.6
295.06076	3.1
296.06836	5.1
305.73450	0.9
311.02039	1.1
311.05673	1.8
311.09277	4.5
329.10312	36.6
329.28439	1.6
330.10522	2.7
335.07431	0.8
355.08212	6.8
356.08652	0.8
373.09293	100.0
374.09592	6.6
385.37622	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	4.8
65.37967	0.3
70.95674	0.4
71.01254	0.8
72.99160	0.5
73.02761	0.4
75.00721	0.5
75.07235	0.3
85.02782	0.4
87.00744	0.9
93.03310	1.8
109.06460	0.5
111.04353	0.7
119.04910	0.7
120.95661	0.8
120.99517	100.0
121.02875	1.7
121.99884	1.0
125.02209	0.4
136.01549	1.4
137.02371	0.6
147.04416	3.9
151.03891	3.6
151.32506	0.4
161.05974	0.7
173.04469	5.7
178.86687	0.4
192.07838	29.8
193.08199	1.4
199.09702	1.4
207.10197	13.7
208.10417	0.5
211.16837	0.5
241.09070	0.6
247.43481	0.5
251.09236	41.1
251.19524	0.5
252.09608	2.6
323.88324	0.5
329.10587	1.0
329.28470	5.4
373.09436	3.0
373.27444	4.1
374.21906	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1292
Annotation	Vladinol D
Peak:m/z	Relative Intensity
56.72105	0.5
57.18499	0.5
59.01239	6.5
62.52340	0.5
69.96527	0.6
71.01231	0.9
75.68258	0.7
91.72701	1.3
93.03320	1.2
96.00751	1.1
101.02280	0.6
106.04111	0.6
108.02040	3.9
109.02811	5.9
110.65563	0.6
119.04884	1.2
121.02804	3.5
122.03622	1.1
123.00802	0.6
123.04407	2.3
124.01514	0.8
133.02878	1.0
134.03625	10.2
135.04391	1.4
136.01540	4.3
137.02330	2.2
145.02841	6.9
146.03636	9.1
147.04373	2.4
148.01550	3.4
148.05174	0.7
149.02367	3.1
149.05968	6.9
150.03081	3.2
151.03888	6.0
153.05458	2.6
160.01476	0.9
161.02336	5.8
161.05983	2.5
162.03117	5.8
163.03905	4.6
164.04691	7.6
165.05447	3.4
166.02596	0.9
168.02916	0.9
173.02319	0.9
173.04483	0.8
174.03114	2.5
175.02374	1.1
175.03781	1.2
176.04733	0.8
176.33458	0.7
177.01840	6.3
177.05463	2.2
178.02623	1.5
179.07043	10.0
180.04179	1.5
181.04938	2.3
188.04765	1.7
189.05472	1.2
191.03415	1.7
191.07161	0.9
192.04175	5.0
193.04956	1.6
194.02240	0.8
198.06783	0.9
205.04970	0.7
207.06566	6.2
219.06590	1.0
225.05544	2.2
226.06294	2.7
237.05432	1.6
238.06303	1.7
251.07056	0.8
253.05121	1.8
254.05833	24.4
255.06552	7.1
256.07431	0.8
257.43460	0.7
266.05869	1.3
267.06665	2.6
268.07477	3.3
269.08188	40.3
270.08917	11.1
281.08240	2.3
282.08966	1.7
283.06412	1.5
283.09763	3.7
284.10498	8.8
285.11261	6.2
295.06116	1.9
297.07672	1.2
298.08524	7.3
299.08945	0.8
309.08014	1.3
310.08545	3.8
313.10815	24.0
314.11145	1.3
325.10870	2.2
328.09610	7.0
329.28461	8.0
340.09479	1.5
343.11877	100.0
344.12219	7.0
355.12006	1.7
358.10510	1.2
373.12927	11.9
373.27350	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	373.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58763	0.5
58.92087	0.4
59.01242	19.5
59.35808	0.5
60.65926	0.4
61.90919	0.7
65.42976	0.3
71.01237	0.9
81.82333	0.4
91.73286	0.5
93.03305	1.0
108.02002	0.6
109.02818	1.4
111.00684	0.5
115.17561	0.4
119.04939	0.6
121.02820	10.5
133.02826	1.2
133.99588	0.9
134.03615	49.2
135.04282	1.3
136.01500	0.7
137.02319	5.7
139.03889	1.3
145.02873	0.6
146.03624	11.5
147.04433	5.3
149.05965	16.9
151.03883	1.4
159.04385	1.1
161.05962	3.6
163.03914	0.8
163.12131	0.4
164.04700	9.0
175.03882	6.4
177.96422	0.7
178.02632	34.2
179.03017	2.0
179.07050	19.4
179.08618	1.0
180.04143	0.8
190.06291	6.1
191.06859	0.5
193.04991	100.0
194.05309	3.2
196.05330	0.5
211.04141	0.9
212.04723	1.9
223.07712	0.5
225.05457	0.5
226.06314	1.5
238.06033	0.5
239.03459	0.7
240.04196	1.6
241.08720	0.8
243.10263	0.8
250.06386	0.7
251.07060	0.9
253.05096	0.7
253.08737	0.9
254.05859	3.6
255.10161	1.0
263.07169	0.7
268.07190	0.5
269.08206	32.9
270.08655	1.3
271.09799	3.8
281.08148	5.8
282.08615	0.7
283.09793	1.0
298.08478	0.7
299.09259	28.0
300.09552	1.6
313.10916	0.8
313.16577	1.4
314.11618	29.3
315.11975	1.3
325.10852	1.7
329.13965	53.2
330.14267	3.3
343.11722	0.5
373.08868	0.9
373.12964	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	373.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	27.2
59.02365	0.6
59.65065	0.4
61.98683	1.2
63.83698	0.4
65.83610	0.4
66.62733	0.5
71.01225	0.8
75.00738	5.8
75.40559	0.5
76.36320	1.3
76.36722	0.6
79.85190	0.6
91.73339	1.0
93.03316	4.4
96.95885	0.6
101.02316	1.0
101.11077	0.5
108.02023	3.9
109.02834	2.9
120.99180	1.1
121.02818	88.4
122.03623	24.6
123.04415	1.7
124.01549	1.4
124.86137	0.7
134.03606	0.7
135.04387	3.6
136.01523	6.9
137.02319	3.2
137.06012	0.9
138.03131	0.7
140.36613	0.5
145.02893	0.8
146.03644	0.9
147.04398	1.9
149.02318	3.1
150.03119	1.0
151.03902	5.4
153.01744	0.6
154.02618	2.9
157.02806	0.6
159.04373	0.6
160.05104	0.8
161.02361	0.5
161.04460	0.7
162.03185	1.0
163.03889	1.4
164.04659	2.5
165.05458	0.9
167.03291	0.6
174.03119	0.6
175.03935	4.3
177.01855	0.7
177.05255	0.7
179.03419	2.7
179.07094	1.5
180.04103	0.9
190.06328	2.2
191.07034	1.1
193.05020	1.1
194.05750	1.5
202.00659	0.6
208.01578	0.6
222.38553	0.6
269.07846	1.3
270.08951	1.0
283.09106	0.8
291.09308	0.7
297.07669	1.6
298.08469	86.2
299.08875	4.7
313.10828	100.0
314.11166	4.5
325.10706	0.7
328.09451	4.1
329.28445	1.2
343.11877	45.7
344.12070	2.1
358.10489	1.7
373.12958	6.8
373.27609	1.0
374.12686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74866	0.6
59.00161	1.1
59.01242	100.0
59.02464	1.9
62.43694	0.6
65.00190	2.3
67.01752	1.0
71.01237	3.3
72.99175	0.8
73.02810	0.7
81.03334	1.0
85.02821	0.9
88.76811	0.6
89.02304	5.3
91.72684	1.0
93.02816	0.5
93.03343	2.6
95.01256	1.7
95.04919	0.9
96.95903	0.7
99.00782	0.6
101.02324	2.2
107.01289	0.8
108.02039	3.3
109.02818	13.8
113.02319	1.7
115.05413	0.7
116.83691	0.5
119.01281	1.2
119.03403	1.6
121.02847	1.8
121.05524	0.5
122.03622	1.0
123.00755	5.1
123.04360	0.9
125.02383	1.7
133.02844	3.8
134.03661	2.2
135.04419	0.8
136.01523	4.8
137.02396	1.2
139.03830	0.6
147.04526	0.6
148.79834	0.6
149.02376	1.7
150.03098	1.4
151.00363	1.8
151.03914	6.7
152.01135	1.7
153.01811	0.9
155.10666	8.8
159.04379	3.9
160.05247	1.7
161.04433	0.6
162.03178	1.8
163.00368	0.8
163.03932	0.9
165.05530	0.6
167.04900	1.2
169.06538	1.8
173.04543	1.5
173.05952	1.1
173.28239	0.6
175.07608	0.8
177.01897	0.9
177.05551	1.6
177.52757	0.7
178.02589	0.8
179.07094	0.8
185.06064	1.1
187.90129	0.6
191.05589	1.6
193.05052	1.8
198.03282	0.6
199.09662	4.6
204.47749	0.7
211.06219	2.0
213.05589	2.5
226.02692	0.7
241.05099	5.5
269.08270	1.6
270.08951	0.7
285.04083	17.4
285.07062	1.2
293.04575	3.1
329.03214	1.7
329.10278	10.7
329.13739	0.8
329.28583	1.0
330.10867	0.9
343.11926	0.8
373.02084	0.9
373.09460	5.5
373.14426	1.7
373.19250	1.1
373.27756	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99962	1.5
59.01241	100.0
59.02353	1.6
59.14386	0.4
60.01582	0.8
61.85962	0.4
63.58064	0.8
65.00194	2.4
67.01752	0.6
69.11311	0.4
71.01247	3.3
72.99178	1.3
73.02808	0.8
81.03333	0.9
83.01260	0.7
85.02803	0.6
89.02291	5.1
93.03299	2.4
95.01273	2.0
101.02328	1.6
108.02052	3.0
108.02701	0.5
109.02817	12.1
113.02325	1.3
115.84100	0.4
117.03360	0.5
119.01286	0.6
119.03392	1.7
121.02865	0.8
121.06492	0.6
123.00751	4.4
123.04382	0.6
125.02318	1.6
133.02806	2.5
134.03648	2.2
135.04460	0.6
136.01559	4.5
137.02327	1.2
147.00861	0.7
149.02336	2.2
150.03163	1.4
151.00331	1.5
151.03908	6.3
152.01031	0.8
153.01868	0.8
155.10661	10.1
156.11023	0.7
159.04414	3.2
160.05173	2.3
161.05862	0.4
162.03050	1.0
163.00302	0.8
163.03984	0.5
165.05518	1.4
167.04926	0.9
169.06522	1.0
171.04420	0.4
173.04483	1.6
173.05966	0.8
174.03220	0.5
175.07547	1.0
177.05527	0.8
179.05569	0.8
179.07042	0.7
181.84096	0.4
182.03757	0.6
185.05933	0.9
191.05533	1.1
193.04936	2.3
195.04480	0.6
197.06049	1.1
199.09642	4.1
211.04305	0.5
211.06015	2.5
212.04970	0.5
213.05579	1.4
219.06696	0.9
223.04135	0.5
225.09006	0.5
226.02786	1.8
240.04297	0.9
241.05028	4.2
254.05753	0.7
267.06714	0.9
269.08212	1.6
285.04028	12.9
285.07062	0.8
285.11203	0.7
293.04532	2.3
299.09332	0.8
311.05878	0.6
329.03302	1.1
329.10303	11.1
329.28696	1.3
330.10605	0.7
345.56213	0.5
373.01913	0.7
373.09341	4.8
373.13446	1.0
373.27426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47659	1.3
55.13866	1.5
57.03307	3.2
58.00460	2.0
59.00113	1.8
59.01241	99.3
59.02496	1.7
61.00467	1.3
71.01238	100.0
72.01556	1.6
72.99155	6.5
73.02807	27.6
73.68640	1.2
75.00733	2.5
79.95551	2.9
81.03320	8.4
83.01241	15.9
83.04845	1.6
85.02802	52.9
85.05011	1.4
86.41891	1.4
87.00726	13.0
89.02298	50.8
90.02650	1.3
93.03316	4.0
95.01237	7.3
96.95866	63.7
97.02834	2.7
99.00729	13.9
99.04374	22.2
101.02302	84.9
102.02660	2.1
107.01228	1.7
107.04872	1.9
108.02030	11.6
109.02815	89.8
109.06444	4.7
110.03152	2.0
111.00718	4.6
111.04379	2.1
113.02307	49.7
113.05895	2.3
119.03372	21.3
119.08535	30.4
121.02829	7.1
121.06437	2.6
122.03589	5.5
123.00742	3.7
123.04417	2.1
124.01546	7.8
125.02323	5.9
129.01794	5.1
131.03380	3.4
131.04933	3.2
134.03687	2.3
135.04385	6.7
135.08084	1.8
136.01543	21.7
137.02370	8.3
137.09621	18.3
139.03870	3.5
143.03358	6.5
147.04419	12.4
147.08124	1.6
149.02318	4.0
149.04691	2.8
149.05954	20.1
149.09605	4.1
150.03146	8.1
151.03897	48.0
152.04410	2.5
155.03377	4.2
159.02887	9.0
161.02412	2.0
161.04448	45.2
161.05789	2.2
163.00270	2.5
163.03841	3.8
163.07541	3.4
165.01825	2.5
166.02588	6.3
167.03360	9.6
167.07123	2.8
173.04474	9.0
174.03209	4.5
175.03917	96.4
175.07359	8.0
175.10291	2.0
176.04443	3.5
177.05421	2.6
177.62071	1.5
178.99799	12.7
179.03403	4.7
179.05522	4.3
181.08620	34.6
193.08569	3.6
199.07907	2.5
199.09695	40.5
211.02156	1.5
211.06175	2.4
211.09682	22.9
211.11482	2.1
212.09962	2.4
213.05548	2.0
241.00125	9.8
267.06436	3.6
285.07697	46.5
286.08041	3.7
293.12460	4.8
305.06738	3.7
329.08838	11.1
329.28494	3.6
373.08063	95.0
373.15082	56.6
373.27780	1.7
374.08606	7.4
374.15485	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	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16305	0.3
53.46885	0.4
57.03302	1.8
59.00101	0.5
59.01242	26.2
59.02473	0.5
61.98683	0.5
64.14496	0.6
65.31500	0.3
70.56580	0.3
71.01229	0.8
71.04869	0.6
72.99617	0.5
74.74335	0.4
75.00723	0.9
78.69231	0.6
97.06459	0.8
99.07999	0.5
101.02261	0.7
104.99007	0.4
106.04079	1.2
109.02831	0.6
111.08015	0.5
113.09552	1.3
119.04906	2.1
120.01344	0.4
120.99573	0.5
121.02834	2.8
125.09626	0.5
130.08563	0.8
134.75238	0.4
136.01570	0.6
139.11082	0.5
145.75818	0.4
151.03839	1.1
164.04715	0.5
175.02409	0.5
175.11165	0.6
189.95615	0.8
211.13492	0.5
211.20674	0.9
221.19058	30.2
222.19417	1.3
237.18616	0.9
239.20128	3.0
255.06146	0.4
257.21201	1.3
265.18085	17.6
266.18546	0.9
269.08328	0.9
283.19162	23.6
284.19446	1.6
301.20209	100.0
302.20602	5.9
313.18146	2.0
329.19864	5.9
329.28513	22.9
330.28900	1.4
335.21240	0.5
343.11996	1.2
373.12833	1.5
373.20114	8.9
373.27423	20.7
374.20657	0.6
374.27652	1.1
393.04111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86596	0.4
57.03302	1.7
59.00980	0.4
59.01243	6.0
64.14479	0.7
64.14764	0.4
69.92484	0.4
73.02811	0.5
73.22189	0.4
73.61456	0.4
75.61788	0.5
78.39148	0.5
97.06450	0.8
99.08000	0.8
99.48812	0.4
102.15372	0.5
104.15171	0.4
113.09579	1.1
119.04879	0.6
121.02816	0.7
135.29784	0.4
137.09506	0.4
139.11159	0.7
146.14011	0.6
151.03972	0.5
155.11938	0.5
202.28711	0.5
211.20538	0.5
221.19066	29.6
222.19337	0.9
237.18608	1.1
239.20097	3.5
243.64000	0.6
257.21216	1.5
265.18097	19.3
283.19159	21.5
284.19601	1.3
301.20218	100.0
302.20615	4.9
313.18027	0.9
329.19745	6.4
329.28482	7.3
343.12033	0.7
345.86270	0.5
359.39581	0.4
373.19861	1.5
373.27432	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	373.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05324	0.2
53.95687	0.2
56.59159	0.2
57.21514	0.5
59.01223	0.4
60.37643	0.2
66.96167	0.9
66.96537	0.5
69.68017	0.2
69.98931	0.3
70.06808	0.2
80.39767	0.2
92.02516	1.1
106.03400	0.3
106.04101	5.3
107.04864	1.0
108.01986	0.4
119.04878	1.1
121.02827	8.0
121.28059	0.2
137.02274	0.6
154.87552	0.3
184.59102	0.4
212.47501	0.5
213.18823	0.4
231.06091	0.3
242.46655	0.4
247.09802	0.9
247.20660	100.0
248.21031	3.9
255.23294	1.0
291.19681	77.3
292.20087	3.6
329.24774	1.1
329.28525	2.3
373.19812	0.5
373.23734	0.6
373.27554	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2386
Annotation	CHEBI:69384
Peak:m/z	Relative Intensity
57.03305	0.8
59.01240	2.5
59.39692	0.8
65.03809	1.0
65.84528	0.9
66.34792	0.8
80.46600	0.7
87.55110	1.8
87.55573	1.4
91.73338	1.9
92.02534	1.2
106.04128	3.4
107.04885	23.8
108.01984	1.1
119.04892	14.3
121.02833	10.2
137.02307	1.1
151.03922	1.1
189.92500	0.9
196.99080	0.9
208.93048	1.1
209.04419	1.0
223.56873	1.0
248.28088	1.0
255.23273	13.2
329.24908	93.4
329.28506	9.3
330.25232	4.2
373.23813	100.0
374.24234	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	373.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54311	0.2
58.70770	0.2
59.01239	0.3
60.52700	0.4
67.36451	0.5
68.24426	0.3
70.71496	0.2
71.01222	0.4
72.18163	0.5
72.18505	0.3
76.47106	0.5
87.56010	0.2
87.56470	0.2
89.02277	0.2
92.02515	0.7
95.01247	0.4
101.25064	0.3
106.04097	3.9
107.04879	0.3
108.01992	0.5
108.43527	0.3
117.01793	0.4
119.04885	6.6
121.02817	4.8
125.24866	0.2
133.06465	2.1
135.02847	0.7
137.02283	0.4
148.90671	0.3
161.09651	1.2
161.10689	0.2
175.11214	1.1
189.12761	1.8
203.14340	1.0
217.15833	0.6
231.17665	0.5
255.12473	1.0
255.23286	100.0
256.23630	4.2
328.27173	0.5
329.28503	77.0
330.28867	4.6
372.26184	0.5
373.27493	83.5
374.27893	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	373.2597
Annotation	oscr#24
Peak:m/z	Relative Intensity
57.03314	1.1
59.00983	1.6
59.01246	23.0
63.55268	0.7
68.31419	1.1
77.31731	0.8
81.76682	1.1
97.06483	1.0
109.17423	0.9
117.26621	1.0
119.04956	1.0
121.02824	1.0
130.87454	0.9
132.82069	0.9
136.01555	10.0
137.02299	2.2
151.03889	10.4
154.03337	1.1
161.04514	1.2
163.04103	1.0
164.04848	1.0
182.27040	1.0
210.01999	1.0
241.19339	1.0
275.23898	8.9
293.24908	10.0
301.80563	1.1
319.22803	4.6
329.28580	7.3
337.23828	11.0
347.30841	1.2
355.24911	15.1
356.58948	1.1
358.10507	1.9
373.12982	7.5
373.25977	100.0
374.26270	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	373.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75858	0.2
52.93932	0.3
59.01231	0.3
87.55956	0.9
87.56509	0.5
92.02526	1.4
93.03255	0.3
95.01227	0.3
99.66325	0.6
106.04110	5.7
107.04884	0.7
108.02019	0.6
119.04893	9.1
120.05472	0.2
121.02023	0.5
121.02823	6.1
133.06439	2.1
136.01567	0.6
137.02274	0.4
157.15347	0.3
161.09612	1.1
175.11221	1.4
189.12746	2.7
203.14342	1.2
217.15875	0.8
231.17560	0.7
241.06136	0.3
245.18996	0.3
255.23279	10.7
256.15396	0.3
256.23700	0.7
269.49417	0.3
311.23865	0.3
329.28506	74.6
330.28870	6.6
373.27493	100.0
374.27853	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	373.275
Annotation	Irisquinone A
Peak:m/z	Relative Intensity
56.38707	0.1
56.90615	0.1
59.88427	0.1
61.59655	0.1
71.90815	0.2
73.15814	0.2
77.53821	0.3
77.93675	0.1
79.73595	0.2
80.38882	0.2
87.55970	0.5
87.56546	0.3
92.02530	2.1
95.01248	0.2
98.33162	0.2
106.04105	7.7
107.04922	0.8
108.02051	0.7
109.02843	0.1
119.04893	10.6
120.05679	0.2
121.02821	7.4
133.06468	3.6
133.46724	0.2
137.02307	0.6
147.08034	0.4
161.09633	1.3
175.11208	1.7
189.12770	2.7
196.99471	0.2
203.14371	1.9
217.15874	0.8
231.17435	0.8
245.19104	0.4
257.94962	0.2
261.78516	0.2
292.62732	0.2
329.28516	100.0
330.28857	7.2
348.50299	0.2
373.09479	0.7
373.27499	73.1
374.27881	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2747
Annotation	3-Oxo-5beta-cholanate
Peak:m/z	Relative Intensity
54.15627	0.3
60.44270	0.3
66.16518	0.3
69.62911	0.3
71.79337	0.3
71.96938	0.3
77.53826	0.3
83.77328	0.3
84.86382	0.3
87.55931	1.1
87.56518	0.6
92.02523	1.4
106.04091	5.2
107.04916	0.6
108.02000	0.8
119.04883	10.5
121.02815	8.1
133.06465	3.1
135.94818	0.3
137.02309	0.5
161.09566	1.5
175.11159	1.9
189.12726	3.1
203.14305	1.5
217.15855	0.5
231.17471	1.2
287.23492	0.3
292.62677	0.5
327.27420	0.3
329.28500	100.0
330.28827	8.6
334.83527	0.3
373.27478	79.7
374.27814	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	373.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64748	0.9
68.33669	0.9
72.41519	0.9
81.71035	0.9
87.56004	1.6
87.56496	1.1
92.02576	1.4
106.04082	5.1
119.04891	8.3
121.02831	6.7
133.06467	3.0
161.09592	1.0
162.27155	1.1
175.11185	2.7
189.12779	2.7
203.14400	1.4
225.00737	1.1
263.21854	1.1
327.27039	1.2
329.28500	100.0
330.28903	6.1
357.01382	1.6
373.27460	74.1
374.27969	5.7
382.77969	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2751
Annotation	3-Oxo-5beta-cholanate
Peak:m/z	Relative Intensity
59.01262	1.9
74.93248	2.4
87.67170	2.4
91.73432	5.0
106.04134	4.6
119.04910	11.3
121.02831	8.2
175.11220	3.0
188.17265	2.9
189.12842	5.0
197.67392	2.9
263.47052	3.2
285.82819	3.9
329.28528	100.0
330.29077	4.4
373.27515	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2749
Annotation	3-Oxo-5beta-cholanate
Peak:m/z	Relative Intensity
51.00606	0.3
59.01239	2.3
75.83824	0.3
87.55932	1.1
87.56507	0.6
92.02512	1.5
106.04101	6.3
107.04877	0.4
108.02039	0.4
119.04086	0.6
119.04880	8.0
121.02818	5.2
133.06490	2.3
153.09851	0.4
161.09621	1.0
175.11235	1.6
189.12729	2.8
201.02484	1.4
201.70293	0.4
203.14328	1.6
208.93063	0.7
217.16068	0.7
231.17569	0.6
292.62756	0.5
327.26917	0.5
329.28513	100.0
330.28879	5.4
373.27493	64.2
374.27811	3.8
384.74130	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.5
77.53828	0.4
80.87917	0.2
87.55943	0.6
87.56527	0.3
92.02517	1.1
106.04107	3.7
107.04869	0.6
108.02037	0.5
119.04888	7.0
121.02823	6.0
121.03711	0.2
133.06464	1.8
136.01570	0.3
137.02310	0.4
151.04022	0.2
157.97293	0.2
159.97078	0.2
161.09616	0.9
173.42053	0.2
175.11172	1.3
189.12750	2.0
203.14331	0.9
217.15921	0.6
231.17470	0.5
260.47073	0.2
328.27393	0.2
329.13263	0.9
329.28513	100.0
330.28848	7.9
373.08362	0.6
373.27490	77.5
374.27835	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	373.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21963	0.2
52.84930	0.2
61.02794	0.2
61.77312	0.2
75.03804	0.2
77.53825	0.2
87.55967	0.7
87.56544	0.5
92.02520	1.6
93.47050	0.2
95.01247	0.3
99.89631	0.2
106.04102	9.7
106.06900	0.3
107.04884	0.9
108.02030	0.5
119.04893	11.7
120.05643	0.3
121.02824	6.9
133.06467	3.2
137.02312	0.3
142.94905	0.2
161.09572	1.1
175.11227	1.8
178.29648	0.2
189.12790	2.8
203.14359	1.8
217.15932	1.0
231.17540	1.1
245.19096	0.5
254.51003	0.3
261.78778	0.3
272.20413	0.2
287.23947	0.3
292.62650	0.3
295.08746	0.3
329.11377	0.7
329.28516	100.0
330.28854	7.0
373.27502	76.2
374.27841	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	373.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.4
60.59768	0.3
62.10923	0.3
77.53836	0.6
82.44537	0.3
87.55939	1.0
87.56551	0.7
92.02518	1.2
106.04112	5.0
107.04868	1.1
108.02030	1.1
112.08984	0.3
119.04892	10.8
120.05177	0.4
121.02821	8.9
133.06471	3.2
135.04248	0.3
137.02342	0.5
147.07945	0.3
151.03900	0.4
161.09575	1.4
175.11182	1.8
189.12778	3.0
203.14326	1.5
217.15932	0.9
231.17560	1.1
292.62659	0.6
327.26849	0.4
329.12961	1.0
329.28513	100.0
330.28848	7.0
373.27490	72.4
374.27835	6.0
396.10089	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29562	1.1
59.01224	4.2
76.48922	1.0
87.56047	1.4
87.95102	1.0
95.81599	1.1
106.04146	5.8
119.04881	10.8
121.02812	8.7
133.06442	2.8
146.91237	1.4
163.14725	1.2
175.11205	2.5
189.12782	2.1
203.14343	2.2
231.17358	1.5
329.28513	100.0
330.28815	7.0
346.14578	1.7
373.27502	87.3
374.27838	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	373.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97669	0.1
58.04950	0.2
59.01229	0.1
63.82014	0.1
77.53822	0.3
78.56973	0.2
84.08820	0.2
87.56009	0.3
87.56473	0.2
89.14523	0.2
92.02527	1.6
95.01222	0.3
106.03399	0.4
106.04101	6.5
107.04920	0.9
108.02025	0.9
116.44274	0.2
119.04890	10.4
120.05197	0.2
121.02820	7.7
133.06465	2.9
137.02278	0.7
147.08073	0.3
161.09599	1.5
175.11215	1.9
189.12766	3.0
203.14351	1.7
217.15875	0.9
231.17455	1.1
245.19272	0.4
247.20662	6.6
248.20996	0.3
255.23235	0.3
291.19690	3.9
292.19800	0.2
327.27008	0.3
329.28506	100.0
330.28857	8.6
373.27490	36.9
374.27905	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	373.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10655	0.3
59.00076	1.9
59.01242	100.0
59.56234	0.3
59.92995	0.3
60.01580	0.6
60.11576	0.3
74.90742	0.3
81.77209	0.3
92.02518	0.6
93.03317	0.4
103.50040	0.3
106.04109	2.4
107.04884	0.5
108.02091	0.4
119.04881	5.6
121.02817	3.9
133.06448	1.0
151.03998	0.6
161.09587	0.6
162.36691	0.4
162.62427	0.7
175.11221	0.5
177.45732	1.1
189.12807	1.5
192.95750	0.4
203.14406	1.1
223.50928	0.4
231.17529	0.6
247.17061	1.6
253.58362	0.4
291.16098	1.2
313.27536	1.0
329.28506	40.8
330.28812	3.3
361.54156	0.5
373.20685	2.3
373.27502	28.7
374.27982	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	374.245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20707	0.1
59.01240	2.6
65.99677	0.1
69.13626	0.1
74.57066	0.1
97.45185	0.1
100.07529	0.2
101.05952	1.0
106.04085	0.1
119.04869	0.2
124.07536	0.5
148.05038	0.2
149.07101	0.2
165.10225	0.2
173.45250	0.1
189.10275	0.7
205.12167	0.3
206.12846	0.2
217.00320	0.6
224.55737	0.1
232.10876	10.3
233.11224	0.4
260.10403	0.2
272.17712	0.3
274.15387	0.2
276.09787	0.2
282.00726	0.1
289.17923	1.8
290.15680	0.2
290.18735	3.0
291.19162	0.1
316.16660	1.6
318.18176	0.3
329.28571	0.6
330.28842	2.2
358.21378	1.1
373.27570	0.4
374.24478	100.0
374.42853	0.9
375.24982	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	374.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92324	0.2
56.89409	0.2
58.99966	1.7
59.01242	100.0
59.02344	1.5
60.01580	0.5
70.81560	0.2
71.58888	0.2
75.19260	0.2
75.37502	0.2
81.03244	0.2
86.45241	0.2
141.04698	0.2
143.40459	0.3
162.50079	0.2
175.24603	0.2
178.33514	0.2
189.73367	0.3
211.32785	0.2
221.19189	0.5
241.18164	0.3
242.59169	0.2
278.24939	0.6
314.27087	1.8
317.52765	0.2
330.29099	0.5
374.28024	0.5
375.21860	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83397	0.5
59.01241	36.2
59.02446	0.7
65.03812	0.4
67.01737	0.7
69.77530	0.4
71.01238	3.5
73.02802	1.3
81.03319	0.6
85.02798	1.1
87.00740	0.9
89.02293	1.1
91.05357	0.5
93.03310	3.5
95.04862	0.4
96.95883	0.5
99.00745	1.0
99.04366	0.4
101.02305	1.4
101.03786	0.4
108.02044	3.0
109.02812	65.9
109.05859	1.1
110.03132	1.1
113.02312	1.5
115.05405	0.8
119.04910	3.0
121.02819	4.8
122.03596	1.7
123.00743	1.4
123.04406	3.5
129.03336	3.1
130.04150	0.6
131.04878	1.7
133.02786	1.0
134.03587	0.9
134.94624	0.4
135.04405	4.4
136.01541	1.9
136.04800	0.6
137.02319	66.5
137.06577	0.8
138.03165	3.8
145.02863	1.4
146.03590	3.8
147.04401	31.2
148.05103	1.7
149.05957	8.1
151.05702	0.6
153.01892	1.0
153.05470	14.2
158.03642	2.4
159.04410	42.0
160.04790	1.5
161.04453	2.9
161.05989	1.6
162.03360	0.4
163.00243	0.5
173.02420	0.5
173.03134	0.4
173.04471	4.0
175.03905	1.1
177.05473	11.0
179.03372	0.7
179.07011	2.9
180.04218	0.6
191.05507	0.7
191.07121	1.1
193.04898	0.7
195.06589	1.5
199.07497	0.5
201.11215	0.5
208.74420	0.6
213.09242	0.8
215.03365	0.5
223.07579	0.7
239.07108	0.7
241.05037	0.6
251.07184	1.5
252.07881	3.0
254.05646	0.7
267.06592	0.7
268.07440	1.9
269.08200	100.0
270.08505	5.8
287.09286	6.8
304.23306	0.4
315.10837	1.4
315.14252	0.5
331.13965	0.7
375.07028	1.3
375.13959	1.9
375.20251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	4.3
59.01244	41.1
61.80886	1.3
61.98714	3.7
67.84180	1.4
69.03310	1.5
71.01246	11.9
72.99168	68.2
73.02795	4.7
74.02324	2.6
77.74973	1.4
78.95790	1.6
81.03298	4.1
83.01237	2.3
83.04863	2.3
85.02808	5.8
87.00716	4.6
89.02280	8.0
91.05376	11.3
93.03320	57.1
95.01259	2.0
95.04894	7.9
96.00784	1.8
97.02811	6.1
97.99959	2.7
99.00763	3.3
101.00468	1.4
101.02299	8.0
105.03329	5.6
107.04892	10.3
108.02035	5.7
109.01562	4.0
109.02808	4.9
111.00726	1.4
111.04330	2.4
113.02292	6.5
115.00222	2.0
115.08679	3.3
116.08953	1.7
117.43704	1.4
119.03406	1.7
119.04896	4.2
120.99412	1.9
121.02824	100.0
122.03674	2.4
123.00845	2.2
123.04396	63.7
125.02296	1.8
125.09520	1.5
127.07555	1.8
128.03421	2.3
133.02832	51.1
135.04398	88.3
136.01546	3.1
136.04761	3.7
137.02315	4.4
138.92023	1.4
139.00122	1.5
146.05989	2.1
149.02341	22.5
150.03145	7.3
151.03902	98.6
151.07510	3.4
152.04269	2.7
152.07054	3.5
153.05440	2.5
153.07437	3.1
161.04532	1.8
163.03923	3.5
165.01770	2.5
169.08664	7.3
173.04469	16.0
173.05965	3.9
177.01854	6.5
178.02588	1.8
179.03441	2.2
179.07019	2.0
191.07153	4.1
201.11296	8.6
210.15367	1.7
213.07698	11.0
218.86386	1.6
231.10262	3.5
247.09695	1.7
257.10315	2.3
315.14462	15.6
341.08792	7.1
345.20502	2.3
374.21286	2.9
375.09247	9.1
375.12656	2.7
375.16583	10.0
375.21255	3.1
376.29858	1.8
396.49008	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	375.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66814	0.3
55.96679	0.3
56.77738	0.2
58.99895	0.9
59.01241	100.0
59.02407	2.0
60.01585	0.9
65.37163	0.2
71.01246	1.8
73.02796	0.9
85.02814	0.8
95.01251	0.4
101.02306	1.3
102.67170	0.4
107.04878	0.9
109.97955	0.2
113.02314	1.1
120.02020	2.5
123.04362	0.9
135.04382	0.4
137.99413	0.4
138.03108	6.4
139.00214	0.4
152.99896	0.5
153.05460	69.0
153.10391	0.9
154.05827	2.3
159.02930	0.5
161.04445	3.6
176.07097	0.6
197.00684	0.4
230.95409	0.3
255.04993	0.3
277.48859	0.3
281.42853	0.3
315.10760	0.6
360.06985	0.5
375.08765	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.5
58.99905	1.1
59.01243	100.0
59.02417	2.1
60.01578	0.7
63.57703	0.3
64.06246	0.3
71.01238	8.8
73.02803	2.7
74.43790	0.3
79.88245	0.3
83.01254	0.9
85.02806	4.2
89.02306	1.3
95.01266	1.0
99.00760	1.1
101.02307	6.4
104.47105	0.3
113.02304	5.7
118.44776	0.4
122.03643	0.3
123.00743	7.4
136.50496	0.3
137.02397	0.6
138.03110	14.7
139.03555	0.5
143.03403	0.6
153.05464	14.1
153.06700	0.7
154.02641	0.5
154.05757	0.5
159.02901	1.7
161.04451	14.2
175.96878	0.4
201.11389	0.5
203.58211	0.4
315.10886	4.2
330.34537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.5
58.00456	1.1
59.00065	1.8
59.01241	100.0
59.02562	0.9
60.01582	0.9
60.99113	0.4
63.95509	0.4
66.92310	0.4
68.99670	1.3
70.99681	0.5
71.01238	39.0
71.02988	0.6
72.99171	1.8
73.02812	0.7
73.49731	0.4
75.27911	0.4
80.85782	0.5
83.01227	1.1
85.02800	7.7
85.27976	0.4
87.00729	2.1
89.00126	1.3
89.02296	74.1
90.02646	0.9
93.39816	0.4
95.01208	2.5
96.95881	0.6
101.02303	20.6
107.04868	0.5
108.02036	1.0
108.38776	0.4
109.02814	23.2
113.01559	1.1
113.02308	17.0
113.03098	1.0
119.03366	29.8
119.04755	1.1
120.02052	1.1
121.02805	1.5
123.04367	1.5
125.02309	1.0
129.03328	1.5
131.03378	2.8
131.04857	0.9
135.04381	1.0
136.01515	0.8
137.02322	42.5
138.03140	1.1
139.03853	0.5
143.03389	5.6
146.03571	1.5
147.04391	10.6
148.05200	1.4
149.04440	2.3
149.05934	8.9
150.06218	0.7
153.04276	0.8
153.05464	16.1
154.05782	0.7
158.03470	0.7
159.03101	0.8
159.04414	13.0
161.04468	10.0
161.05801	1.1
175.03857	0.5
177.05479	4.0
179.05525	44.8
180.05821	0.9
194.73560	0.5
208.74370	0.5
235.18568	0.5
239.94745	0.5
251.07011	0.9
252.07788	0.6
258.20068	0.5
268.96619	0.5
269.08203	30.0
270.08325	1.6
285.13293	2.0
287.09225	4.9
332.29391	0.5
375.07071	6.7
375.12790	1.9
388.11676	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1448
Annotation	GGBCE
Peak:m/z	Relative Intensity
59.01241	48.6
59.02502	0.9
63.67854	0.7
67.28529	0.8
71.01230	3.5
71.36763	0.7
85.02795	1.5
89.02284	1.7
93.03313	1.7
95.01231	0.8
101.02307	2.3
108.02035	2.7
109.02819	4.2
113.02283	1.2
121.02804	9.7
122.03601	60.5
123.00804	1.5
124.01502	1.9
135.04407	1.6
136.01537	6.6
137.02310	8.0
137.05975	1.1
138.03101	5.3
140.53806	0.8
141.05405	0.9
146.03607	19.8
147.04385	2.0
148.05128	0.8
149.05966	0.9
151.03865	1.4
153.01929	0.9
153.04257	1.7
153.05457	21.5
154.02609	3.9
161.04445	4.3
161.05975	9.3
162.03076	1.7
164.04692	17.4
165.05392	2.9
166.69188	1.0
173.04385	1.3
175.03918	3.0
175.09035	0.9
176.04710	7.4
179.07043	100.0
180.04172	9.3
180.07410	2.7
190.06310	1.0
191.07054	29.2
192.04152	5.0
193.04906	1.5
195.06555	35.5
196.06839	1.5
207.06560	12.7
283.09644	1.8
315.10846	2.1
327.12369	6.6
345.13541	2.6
353.43390	0.9
360.12155	13.7
375.14523	39.7
376.14789	3.1
381.74652	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1449
Annotation	GGBCE
Peak:m/z	Relative Intensity
57.03296	1.3
58.00399	0.8
59.00062	0.7
59.01241	23.3
59.01511	0.9
59.02517	0.7
61.20585	0.6
62.53647	0.6
66.05901	0.7
71.01237	24.1
72.99165	5.5
73.02801	7.1
75.00695	2.1
81.03297	1.5
85.02805	3.7
87.00709	1.3
87.62174	0.6
87.72508	0.6
89.02270	1.6
91.72776	1.0
93.03284	1.8
99.00735	1.5
99.07982	0.9
101.02277	1.6
105.01108	1.2
105.01793	23.3
106.97016	0.7
108.01991	1.3
109.01656	0.7
109.02821	11.7
115.03838	2.8
115.80054	0.6
117.01775	2.4
119.04841	1.0
121.02814	8.8
122.03605	53.0
123.00704	1.3
123.04008	0.8
124.01515	2.4
133.02721	0.9
134.03586	0.9
135.02878	0.9
135.04364	2.5
136.01538	4.1
137.02330	7.3
138.03143	1.6
141.05426	4.0
145.02809	1.4
146.03619	25.1
146.98344	0.8
147.02879	51.1
147.04253	3.4
148.03163	0.8
149.02324	1.8
150.03047	1.2
151.03914	1.1
153.01804	1.0
153.05452	7.7
154.02614	4.7
159.02922	3.4
161.02245	1.0
161.04543	1.7
161.05940	9.7
163.03899	1.9
164.04683	19.6
165.05461	2.5
167.03430	1.2
169.04965	1.0
175.03918	4.8
176.04707	6.9
177.01804	2.3
179.07047	100.0
179.54179	0.7
180.04173	8.3
180.07344	3.8
181.12248	1.2
183.10292	1.0
187.04004	0.8
191.07051	26.9
192.04228	4.2
192.07436	1.2
193.04961	0.9
195.06560	36.8
196.07036	0.7
205.01410	1.1
207.06561	11.2
241.12358	0.9
247.04614	1.8
269.11902	1.9
278.71609	0.7
283.09830	0.9
299.05374	0.9
313.11066	0.7
315.11169	0.9
327.08740	1.2
327.12311	6.6
345.13562	2.8
357.12051	1.4
360.12143	10.7
360.16428	0.9
375.14529	35.5
376.14719	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77880	0.2
55.67838	0.3
57.03259	0.3
59.01242	18.6
59.68138	0.3
61.98673	0.3
64.63451	0.3
65.41121	0.3
67.26213	0.4
69.23848	0.3
70.37132	0.4
70.65385	0.3
71.01208	1.2
72.36257	0.5
72.36598	0.3
72.39162	0.3
72.99149	0.6
73.02777	1.0
74.02304	0.5
77.89303	0.5
78.32596	0.4
81.03292	0.6
82.93046	0.4
83.04869	0.6
83.17944	0.3
85.02793	0.8
89.41704	0.3
93.03292	1.1
95.01228	0.4
96.95841	0.4
99.05489	0.4
100.05830	0.4
101.02302	0.9
108.02027	2.8
108.99694	0.5
109.02813	34.7
109.64217	0.3
110.03110	0.8
111.00743	0.3
113.02269	0.6
115.03824	0.4
119.04905	0.3
121.02797	3.6
122.03636	1.7
123.00699	1.1
123.04373	1.2
124.01557	0.5
128.03372	1.1
131.04871	0.6
131.15102	0.3
134.03551	0.4
135.04382	0.9
136.01535	14.5
137.02235	1.3
138.03123	2.1
141.05434	0.7
143.04475	2.0
145.02856	2.5
146.03581	3.2
147.04395	1.9
149.02350	0.5
150.03162	0.4
151.02654	0.7
151.03893	11.8
152.00957	0.8
152.04189	0.4
153.04266	0.7
153.05457	8.3
153.91501	0.3
158.03613	1.6
159.02890	1.0
159.04375	2.1
160.05185	2.0
161.02312	0.5
161.04430	1.5
161.05962	3.5
162.06715	0.7
163.03961	0.5
165.05414	0.4
165.86440	0.4
166.92308	0.3
171.04420	1.6
172.05206	3.5
173.05878	1.1
174.01625	0.5
174.03111	0.7
175.02377	1.1
175.03897	6.4
175.07565	0.9
176.04681	4.2
177.05391	0.5
179.04587	0.5
187.03915	0.8
188.04698	1.3
189.05479	8.8
190.06290	4.8
191.07048	4.0
193.12271	0.8
197.05925	0.6
203.07086	2.4
209.06039	0.6
211.07555	1.4
221.05928	0.7
222.06664	0.7
223.07581	1.2
224.04752	0.5
225.05545	1.0
237.05597	0.5
238.06424	0.8
239.07077	7.1
240.07599	0.5
241.05031	2.9
242.05766	1.4
249.05547	1.9
250.06337	3.7
251.07132	3.5
252.07422	0.5
254.07828	0.4
255.06458	0.6
256.07355	2.5
257.08191	2.9
257.17868	0.6
261.05566	1.1
262.06174	1.3
263.07037	1.2
265.08545	0.5
266.05817	3.2
266.08826	0.6
267.06635	48.5
268.07047	3.7
269.08136	0.4
272.08878	0.4
278.05847	1.5
279.06610	8.2
280.07104	0.5
281.08234	0.7
282.08981	48.0
283.09341	4.0
293.08255	1.7
294.08960	3.9
295.09488	0.6
296.06833	0.5
297.11304	100.0
298.11630	6.2
300.09930	0.5
309.11362	1.1
311.09372	2.1
312.10062	9.6
313.10367	0.9
315.12119	2.2
327.12390	47.2
328.12701	4.4
329.19656	0.4
341.19821	0.7
345.09744	1.0
345.13440	10.3
346.13828	0.6
357.13174	1.3
360.12213	4.2
374.27750	0.5
375.14478	22.6
376.14886	1.6
376.23193	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	375.145
Annotation	(7R)-7-Hydroxylariciresinol
Peak:m/z	Relative Intensity
52.16661	0.2
59.01241	14.0
59.02497	0.3
62.81614	0.2
71.01252	1.1
72.99166	0.3
73.02811	0.5
75.00718	0.4
85.02817	0.3
85.24446	0.2
89.02310	0.3
93.03347	0.4
96.58774	0.3
101.02296	0.4
105.03455	0.3
107.99259	0.3
108.02031	18.3
109.02827	2.1
113.02325	0.3
121.02826	5.5
122.03606	8.3
122.61291	0.2
123.00790	0.5
123.04394	14.3
124.01540	0.2
133.02829	0.3
134.03610	3.1
135.04395	4.0
136.01559	1.4
136.05104	0.3
137.02356	0.8
137.05968	0.8
138.03098	1.2
142.67648	0.3
146.03615	3.4
147.04402	2.2
148.05209	0.5
149.02283	0.3
149.06058	0.4
151.03888	0.8
153.05472	6.4
154.02605	1.0
157.51154	0.3
159.04486	0.4
161.02341	0.9
161.04477	0.6
161.05980	1.2
163.03889	0.5
164.04680	3.1
165.05463	0.7
167.03377	0.4
174.03139	2.9
175.03932	6.3
175.99005	0.6
176.04698	59.0
176.11133	0.6
177.05142	2.1
179.03436	1.0
179.07045	14.7
180.04178	1.5
180.07393	0.5
181.04968	0.4
187.53479	0.2
189.05527	1.3
190.06259	0.9
191.07060	100.0
191.14407	0.8
192.07423	3.3
194.05820	0.5
195.06543	4.0
203.07077	0.4
205.08621	0.9
207.06577	1.3
209.08130	13.3
210.08478	0.5
223.09712	0.3
225.05461	0.4
240.04085	0.3
241.05116	0.6
253.05049	0.6
256.07547	0.3
257.08041	0.4
267.06534	0.3
297.07715	0.4
304.95099	0.3
315.12421	1.6
327.12326	1.2
338.88275	0.3
345.13434	10.3
346.13577	0.5
360.12161	1.8
375.09158	0.3
375.14539	5.8
375.19534	0.3
376.14972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84862	0.3
52.67686	0.4
54.56962	0.3
54.65006	0.4
59.01244	8.0
62.63054	0.6
71.01245	1.6
73.02830	1.3
83.01260	1.1
85.02815	1.1
89.00539	1.2
93.03307	1.1
94.44742	0.4
95.04894	0.5
101.02302	2.2
108.02037	1.6
109.02821	1.2
113.02357	0.7
121.02811	9.0
122.03605	51.7
122.07216	0.7
123.04419	0.8
124.01534	1.9
124.81956	0.6
128.03410	3.2
129.03261	0.4
134.03609	0.6
135.04428	0.9
136.01541	4.2
137.02327	4.1
137.05975	0.9
145.02838	0.9
146.03624	22.9
147.04419	2.9
148.05206	0.5
149.02347	2.1
149.05946	0.8
150.03113	2.5
151.03917	0.7
153.01804	0.6
154.02623	3.6
159.08412	1.0
161.04584	1.0
161.05974	10.6
162.03131	1.0
163.03888	1.3
164.04694	18.5
165.05463	4.7
171.07689	1.5
175.03966	4.2
176.04684	9.4
177.05327	0.5
179.07051	100.0
180.04196	9.9
180.07353	1.7
187.03847	0.5
190.06255	1.3
191.07066	29.2
192.04205	4.3
193.05020	1.0
195.06558	33.2
207.06580	11.0
234.99190	0.5
269.79083	0.5
281.08740	0.5
283.09720	0.6
289.16632	2.8
311.09128	1.0
312.09891	1.3
327.12390	9.2
328.12491	0.6
333.15701	0.5
345.13492	3.4
360.12164	9.5
365.23581	0.5
375.14438	35.1
376.14728	1.4
389.97638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27642	0.4
59.00127	0.9
59.01242	45.3
59.01528	1.7
59.02433	0.9
60.01555	0.4
60.54508	0.3
64.94756	0.4
71.01208	1.6
72.99164	47.3
73.00812	0.7
73.02786	0.8
73.99449	0.4
83.04858	0.6
85.02776	0.8
95.04838	0.4
101.02287	1.1
107.04893	0.7
108.02003	0.9
109.02781	1.1
111.04404	2.2
113.02270	1.1
119.04869	0.6
120.01998	0.4
121.02773	1.4
121.10069	1.8
122.03613	7.8
123.00727	0.8
123.04332	1.9
125.09602	1.2
127.41016	0.5
132.05669	1.0
135.04338	0.8
136.01511	0.7
137.02274	1.6
138.03117	3.5
146.03615	4.6
147.04407	0.8
147.11594	0.5
149.08603	0.5
149.09619	6.3
150.03079	0.8
151.03780	0.5
153.05457	18.5
154.02602	1.2
161.04430	2.2
161.05922	1.9
164.04678	3.9
165.05417	0.8
171.07967	0.5
174.99139	1.3
175.03868	1.6
176.04683	2.8
177.05363	0.9
179.03589	0.6
179.07053	16.4
180.04152	1.9
180.07318	0.6
188.04710	0.7
189.05431	0.5
189.12762	1.3
189.98499	1.1
191.07042	5.8
195.06557	5.9
199.07605	0.8
207.06561	1.5
213.05406	0.8
217.00253	5.8
229.15919	1.7
239.14386	0.8
241.05034	1.2
242.05635	0.6
255.13974	0.5
256.07388	0.6
257.08148	1.3
257.15527	2.9
271.13385	2.5
273.11642	0.8
273.14978	6.5
283.19635	1.1
285.14908	0.5
301.14456	100.0
302.14774	6.7
303.15997	2.0
311.13046	0.9
315.10941	1.2
319.15436	3.5
327.12445	1.2
329.13931	1.6
330.28809	0.7
331.11942	1.1
345.13199	1.0
347.15079	2.0
357.13431	4.9
360.12274	2.6
362.68661	0.5
374.27774	0.6
375.14532	21.6
376.14807	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1815
Annotation	Glaucogenin A
Peak:m/z	Relative Intensity
50.37639	0.5
51.45578	0.5
54.61056	0.5
57.03293	0.8
59.00103	0.8
59.01245	28.6
66.45462	0.5
71.01232	0.7
71.04884	0.5
81.69772	1.3
106.04086	3.3
107.04883	2.7
107.08716	0.7
108.02036	0.9
119.04900	8.7
121.02822	7.0
122.03603	1.6
126.03091	0.8
133.06445	2.2
133.98347	0.6
135.04404	0.8
136.05217	0.9
137.02385	0.8
147.08057	1.1
149.46088	0.6
161.09599	1.1
168.04271	0.7
174.99118	3.2
175.11201	2.0
179.07115	1.5
187.11223	0.9
191.10663	1.7
195.06573	0.9
203.10896	0.7
203.14372	9.7
205.12279	6.9
217.00253	11.4
217.12282	2.0
231.13878	15.1
231.17529	1.9
233.15482	1.6
237.14890	0.9
245.15469	0.8
249.14996	3.0
259.20587	1.0
267.17627	0.9
269.19208	4.2
273.74353	0.6
285.18686	1.7
287.20175	99.7
288.20526	3.7
297.18820	1.4
301.21707	2.7
311.20276	1.0
313.18124	33.4
313.21359	1.4
314.18463	1.0
315.19681	0.7
321.20697	2.5
322.55392	0.8
331.19128	11.3
331.22839	9.5
357.17038	5.5
375.18079	100.0
375.21973	27.3
376.18375	3.0
376.22424	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37639	0.2
53.19564	0.2
55.26974	0.2
59.00008	1.8
59.01242	100.0
59.02628	0.6
60.01578	0.8
66.56890	0.2
69.96397	0.2
71.01241	2.2
71.20997	0.1
72.99174	0.2
73.02807	0.8
83.01245	0.4
85.02801	1.1
89.02314	0.8
99.00764	0.4
101.02305	2.0
106.36597	0.2
113.02287	1.0
119.03382	0.3
122.03629	0.2
161.04472	2.0
179.07156	0.4
191.07085	0.3
217.00380	0.3
315.18195	2.6
330.28778	0.2
375.14883	0.3
375.21014	0.2
375.27206	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	375.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.1
58.99950	1.5
59.01243	100.0
59.02367	1.8
60.01307	0.1
60.01574	0.4
66.23269	0.1
71.01242	2.9
72.99182	0.1
73.02803	0.9
75.00723	0.1
82.66094	0.1
83.01234	0.3
85.02805	1.3
87.00755	0.1
89.02304	0.7
91.73365	0.1
95.01268	0.1
99.00752	0.3
101.02303	1.8
113.02317	1.3
119.03398	0.3
122.03654	0.1
124.84835	0.1
125.02250	0.1
129.01743	0.1
136.78102	0.1
143.03395	0.1
159.02951	0.4
161.04465	2.5
164.04686	0.1
174.99171	0.1
175.03909	0.1
176.04601	0.1
179.07097	0.2
191.07050	0.1
205.03427	0.1
217.00264	0.6
289.16644	0.1
315.18167	1.1
374.99384	0.1
375.14706	0.1
375.21454	0.2
375.27020	0.1
386.18631	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	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92046	0.3
58.99897	1.1
59.01240	100.0
59.02415	1.8
60.01580	0.8
62.53978	0.2
71.01239	2.5
73.02807	0.8
85.02803	0.8
89.02292	2.0
91.73318	0.2
99.00690	0.2
101.02302	1.6
113.02302	1.0
119.03354	0.6
136.60945	0.2
143.03462	0.2
149.54050	0.2
161.04456	2.2
176.04642	0.3
179.07137	0.2
195.06627	0.2
217.00188	0.5
285.20743	1.2
315.18219	0.9
331.29416	0.3
375.21918	0.3
375.28232	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	375.2178
Annotation	Epoxyphomalin E
Peak:m/z	Relative Intensity
50.14015	0.3
54.09626	0.2
56.40757	0.3
59.01244	4.1
80.02538	0.4
81.54482	0.3
83.04864	0.4
85.52828	1.0
85.53377	0.6
91.03687	0.3
92.02522	0.4
95.04917	0.4
97.06461	0.6
103.34100	0.3
106.04115	1.4
107.04871	1.2
108.02044	0.3
116.29478	0.3
119.04899	4.8
121.02841	2.4
123.97009	0.3
133.06451	1.4
142.47047	0.4
153.05238	0.3
161.09520	0.3
175.11227	0.3
189.12762	0.4
203.14357	1.1
215.14398	0.6
217.00317	0.8
217.16080	1.5
219.13812	0.6
229.15773	0.5
231.17479	0.6
245.15512	0.5
257.19125	1.3
269.19180	0.3
271.20737	1.8
285.22229	4.8
287.23813	11.4
288.24109	0.7
295.20859	2.0
311.20242	1.1
313.21753	59.8
314.22055	3.1
331.22830	23.5
332.23050	1.0
375.21790	100.0
376.22153	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	375.2179
Annotation	Eriocatisin A
Peak:m/z	Relative Intensity
51.41195	0.2
51.73169	0.3
54.52752	0.3
57.03309	0.5
59.00060	1.8
59.01242	100.0
59.02555	1.3
60.01572	0.5
61.98701	0.4
71.01244	1.5
73.02820	0.4
85.02821	0.3
91.73345	0.6
96.00953	0.3
99.08028	0.3
101.02301	0.8
107.04885	0.5
108.02054	0.5
109.02838	0.3
111.04393	1.0
113.02321	1.0
120.02044	0.4
121.02811	1.0
122.03602	4.5
123.00728	0.8
123.04432	0.5
124.01501	0.4
135.04407	0.4
136.01518	0.6
137.02338	0.5
138.03073	2.1
146.03632	2.5
147.04387	0.7
153.05458	12.0
154.02634	0.4
154.05844	0.5
161.04463	1.9
161.05960	1.4
162.06853	1.3
163.07484	0.5
164.04706	2.1
165.05437	0.7
174.99136	1.8
175.03915	0.7
176.04736	2.0
179.03555	0.4
179.07040	9.2
180.04250	2.0
181.08609	0.4
183.63390	0.3
189.05531	0.7
191.07037	4.1
192.04181	0.7
194.05728	0.4
195.06554	4.6
207.06586	2.6
207.10077	0.4
217.00262	7.0
221.19061	1.1
237.16588	0.4
241.05023	0.6
251.18147	0.3
253.15991	1.2
255.17499	0.6
256.07407	0.6
257.04477	0.4
257.08142	1.0
265.18048	0.9
267.17523	0.5
269.19092	3.9
271.20621	3.7
283.19324	1.6
287.10785	0.5
297.18582	11.9
298.19034	0.8
301.14490	1.1
301.20172	2.6
315.10803	0.5
315.19684	3.4
319.15591	3.6
320.15726	0.4
327.12372	1.3
345.13312	0.8
347.14902	1.1
357.20956	1.7
360.12106	1.7
375.14801	7.4
375.21744	53.3
376.14835	0.6
376.22220	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	375.2179
Annotation	Macrolactin H
Peak:m/z	Relative Intensity
57.03323	1.7
58.99955	1.2
59.01244	84.1
59.02369	1.6
60.01579	0.8
71.01253	0.7
73.02814	0.4
79.05399	0.8
85.02780	0.4
105.06990	0.5
109.02827	0.7
109.06448	0.8
109.74997	0.4
113.33894	0.4
118.15866	0.3
119.08498	0.4
121.02795	1.1
121.06441	0.5
122.03589	4.0
137.02351	0.8
138.03123	1.1
146.03632	2.8
147.04341	0.3
153.05447	4.7
154.02579	0.4
159.66403	0.3
161.04568	0.8
161.05965	1.1
162.06993	1.9
164.04683	1.6
165.05473	0.5
166.02525	0.5
169.93315	0.4
174.99222	0.9
175.03952	0.9
176.04778	1.8
179.07051	9.2
180.04199	1.0
191.07048	3.8
194.05856	0.4
195.06577	3.6
201.12820	0.6
207.06563	0.7
217.00287	2.7
236.91551	0.4
237.16391	0.5
241.05022	0.8
251.18095	0.5
253.15974	1.4
253.19594	0.9
255.17555	1.0
257.08102	0.5
267.17578	0.7
269.19113	8.0
271.20712	6.1
287.20084	0.5
297.07669	0.6
297.18616	18.5
298.18970	1.3
315.19690	9.4
316.19852	0.5
327.12326	1.1
345.13419	2.3
356.26239	0.4
357.20749	21.9
358.21036	1.3
360.12103	1.5
365.34912	0.4
375.15027	5.4
375.21790	100.0
376.22107	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	375.2177
Annotation	AT-Resolvin D1
Peak:m/z	Relative Intensity
55.35535	0.5
55.66971	0.6
57.03315	1.3
59.01239	15.0
61.16483	0.6
69.79575	0.5
83.04874	1.5
85.06427	1.7
88.43022	0.7
92.02517	0.8
94.77851	0.6
96.95843	0.7
97.06453	1.1
99.08059	1.2
106.04104	2.2
107.04908	1.1
108.02046	1.0
112.12177	0.6
119.04883	4.5
121.02823	5.7
133.06464	1.7
162.06874	0.8
174.99202	1.2
175.11139	0.8
179.07092	1.2
186.04216	0.8
189.12796	1.2
198.77277	0.6
200.47472	0.7
203.14368	0.7
217.00237	1.4
217.15910	6.0
219.17502	1.0
220.21780	0.7
229.15927	2.1
231.13962	1.3
231.17540	9.1
232.17931	1.2
233.15437	18.2
234.15755	1.3
245.15416	3.6
247.17012	10.1
259.17044	2.5
261.18591	2.3
271.20615	1.0
277.14627	1.1
285.22253	5.0
287.23837	1.9
293.17841	1.0
303.23254	3.0
313.21664	4.7
329.28055	0.9
330.28796	5.0
331.22897	6.3
331.29092	6.5
357.20798	0.8
374.27896	4.5
375.21777	100.0
375.28305	3.2
376.22037	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	375.2179
Annotation	Epoxyphomalin E
Peak:m/z	Relative Intensity
55.57676	1.1
58.39354	1.2
59.01244	8.5
62.66240	1.2
78.95755	31.2
93.03317	29.1
96.96836	10.6
108.02032	2.4
121.02808	6.6
134.76253	1.3
135.04390	2.7
137.02299	1.4
162.22542	1.5
176.04597	1.3
227.20247	3.0
247.20612	4.6
249.21568	1.8
277.43350	1.5
279.23334	5.8
291.09036	2.1
291.19687	4.0
301.21976	2.3
303.23318	100.0
304.23642	6.2
313.21985	2.2
331.22818	31.0
331.26474	2.9
357.20786	4.4
359.15421	1.7
375.21783	76.6
375.26233	11.0
376.22116	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2906
Annotation	Isolithocholate
Peak:m/z	Relative Intensity
53.88852	0.2
61.76108	0.2
67.23338	0.1
68.35120	0.2
76.68925	0.2
78.03825	0.4
82.00423	0.2
88.06500	0.3
88.07045	0.4
91.73325	0.3
92.02531	2.6
106.04102	10.9
107.04942	1.1
108.01990	0.8
109.02801	0.2
119.04889	3.4
121.02818	9.3
133.06453	1.1
136.01453	0.3
137.02295	0.6
161.09680	0.3
175.11177	0.5
189.12723	0.5
203.14317	0.5
217.15846	0.4
231.17441	0.3
245.19070	0.2
250.42787	0.2
294.60510	0.3
309.80374	0.2
330.28857	0.6
331.30066	100.0
332.30423	6.2
374.28052	0.3
375.29053	60.1
376.29370	3.8
381.08597	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	375.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81824	0.2
67.19901	0.2
69.87480	0.2
73.24082	0.2
78.03837	0.5
80.64291	0.2
84.06326	0.3
88.06486	0.7
88.07071	0.4
92.02528	2.6
95.01211	0.3
95.76540	0.2
106.04102	9.8
107.04960	1.1
108.02018	0.8
109.02827	0.3
119.04893	3.7
120.91141	0.2
121.02818	10.0
133.06456	0.9
137.02313	0.9
142.33023	0.2
175.11189	0.5
189.12692	0.5
206.56377	0.2
217.15868	0.3
231.17433	0.3
263.70667	0.3
294.60312	0.3
294.63324	0.2
330.28793	0.8
331.30066	100.0
332.30411	6.4
374.27734	0.6
375.29041	70.1
376.29437	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	376.1767
Annotation	Stephasunoline
Peak:m/z	Relative Intensity
51.09504	0.3
53.21576	0.3
57.08089	0.4
59.01244	21.0
60.01571	1.6
65.62967	0.4
68.51443	0.4
68.98234	0.8
68.99676	50.8
69.01262	0.8
69.43160	0.4
71.54694	0.4
72.46110	0.5
72.99160	1.2
76.33279	0.5
96.95873	3.9
96.99171	51.0
97.01830	0.6
99.06172	0.5
118.95221	0.5
128.32909	0.5
141.86584	0.4
211.07722	1.1
218.00549	1.1
227.39348	0.5
229.90581	0.4
230.15474	41.9
231.09033	2.0
231.15947	2.5
232.17044	3.8
247.12164	0.5
259.08463	2.9
272.21188	0.5
277.93701	0.6
288.16144	1.2
298.19354	0.7
312.97757	0.6
316.15567	15.9
317.16016	1.1
321.31708	0.6
341.11124	0.5
375.21716	0.9
375.28409	0.5
376.17703	100.0
376.21735	4.8
377.18002	6.4
388.17770	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85235	0.2
56.10693	0.2
59.00072	1.8
59.01242	100.0
59.02280	1.1
59.02613	0.7
60.01578	1.0
69.19003	0.2
72.99169	0.4
83.68342	0.2
97.52732	0.2
98.66544	0.2
108.53902	0.2
126.99184	0.2
131.59886	0.2
197.04506	0.2
251.35475	0.2
284.25995	0.2
298.19034	0.3
316.28476	1.1
376.22125	3.1
377.22522	0.3
397.09702	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	377.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02726	1.9
59.01245	24.4
65.78450	1.9
71.01239	18.1
74.40385	1.7
75.00762	3.0
75.34389	1.9
85.02850	4.2
87.00751	2.3
89.02298	35.2
89.02818	2.2
101.02295	13.0
101.37392	2.2
103.23327	1.9
113.02345	6.0
119.03316	10.5
131.03415	2.5
135.02884	7.6
142.31233	1.9
143.03429	3.0
161.04538	5.7
179.05501	14.4
191.05531	4.9
197.02124	2.5
215.03188	20.2
341.10886	100.0
342.11389	4.3
377.08582	66.4
378.09106	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71476	0.8
58.00449	1.6
59.00976	1.6
59.01244	22.5
60.01573	1.5
62.71146	0.9
71.01237	2.9
72.99167	46.8
73.02803	1.6
85.02820	1.3
85.99944	1.0
87.00716	2.8
88.66334	1.0
93.03326	1.5
96.95842	2.3
99.00750	2.2
101.02294	2.3
108.04467	1.9
109.02833	1.8
120.08973	1.0
123.04350	1.4
135.04419	3.4
141.98918	1.0
153.05461	1.1
154.05775	1.1
161.04411	1.7
173.04489	1.1
177.01915	1.4
178.02484	1.1
179.03372	3.4
195.76442	1.2
200.04692	12.6
201.05446	1.1
202.37700	0.9
209.04573	1.9
212.04701	3.4
213.05553	4.5
214.06364	6.2
215.07132	14.2
227.07130	9.0
229.08600	7.3
231.06628	1.3
238.06372	2.8
240.04164	2.9
242.05835	2.6
243.06783	1.9
245.13913	3.6
253.08684	1.7
255.06668	8.0
256.07333	3.8
257.08151	4.9
271.09708	2.9
272.06885	3.9
285.07733	3.6
287.09265	46.2
288.09720	1.6
297.07745	1.7
301.07172	12.6
315.08759	17.8
316.09659	1.2
329.10202	1.2
331.08322	2.9
333.09787	2.2
333.15491	3.8
377.08780	100.0
377.17880	6.6
378.09274	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	377.101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	55.2
59.98823	3.9
61.98403	7.6
61.98692	100.0
67.81434	4.0
71.01226	15.8
75.00727	4.7
75.96810	3.8
85.02821	8.3
87.00734	8.3
89.02316	10.4
93.03339	13.8
96.95895	6.2
101.02312	6.0
107.04906	6.2
107.08556	5.0
113.02297	6.9
113.61592	4.7
123.04364	5.5
125.02293	8.9
133.04951	6.7
135.04393	59.7
137.02319	10.3
152.01083	7.9
153.01767	8.4
161.02261	8.0
165.01762	5.8
165.05460	12.7
167.03423	17.4
173.04459	24.7
179.03416	47.1
179.06999	7.1
183.10170	9.6
215.09198	5.9
233.04614	33.1
233.15640	7.0
299.41006	4.8
341.08875	16.7
377.08972	21.4
377.14474	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1455
Annotation	Abafungin
Peak:m/z	Relative Intensity
51.82015	0.4
51.97044	0.4
57.03309	0.5
59.01244	14.8
59.09530	0.4
61.98677	0.4
69.03307	1.2
71.01237	7.9
72.99168	16.5
73.00732	0.4
73.02813	2.8
73.21875	0.5
83.01234	1.4
83.04884	0.7
85.02807	3.0
87.00739	1.4
89.02293	6.5
91.05382	0.7
93.03291	0.9
93.06960	4.2
95.01288	0.7
95.04871	2.2
99.00725	1.5
101.02300	6.2
109.06427	2.1
113.02287	3.0
115.00141	0.6
119.03358	1.2
123.08007	0.6
124.46585	0.5
125.02312	0.6
127.03881	0.6
133.06465	1.1
135.08020	5.8
137.02390	0.7
137.05936	3.1
146.08121	0.5
155.03391	0.6
155.07002	2.6
160.78177	0.4
161.04442	1.1
161.52505	0.5
168.01961	0.5
173.04466	1.2
179.07083	1.4
197.08144	1.8
215.09224	2.4
226.06390	0.8
249.42021	0.5
262.15558	0.9
341.10828	1.2
359.13446	0.8
377.14554	100.0
378.14819	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1609
Annotation	15-Hydroxyeremantholide B
Peak:m/z	Relative Intensity
59.01246	15.7
61.98704	3.4
62.84408	1.9
72.99162	9.4
73.02807	1.9
75.00724	7.1
82.85144	2.6
83.04890	3.0
85.76428	2.2
107.53241	2.0
109.02775	2.4
111.04366	25.6
113.02310	3.8
121.06422	3.3
123.04365	3.7
123.08051	3.4
137.02316	4.0
137.05945	4.0
141.01834	4.8
144.59198	2.1
147.04434	2.7
149.05954	17.2
150.03201	4.1
153.05453	2.0
153.09102	22.9
164.04700	22.7
165.05383	4.8
178.02676	6.4
182.13655	2.3
191.03416	4.7
192.04224	8.1
193.04974	10.8
194.56117	2.7
202.06375	2.6
203.03535	2.8
211.06044	24.2
217.00333	3.5
217.05092	2.3
223.06151	3.3
233.11859	3.4
259.13464	8.7
261.14844	3.4
271.17197	2.8
273.14987	3.4
289.14523	2.6
289.18170	2.7
305.14020	5.9
315.15964	14.9
319.15488	2.7
331.11908	17.1
359.15012	100.0
360.15182	3.4
377.11853	10.4
377.16565	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	377.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33760	0.5
54.89746	0.4
58.02829	0.8
59.01241	6.0
71.01233	2.3
72.00784	0.6
73.02805	1.1
74.02316	1.5
78.95770	0.9
82.02834	2.2
82.83075	0.5
84.04408	3.4
85.02811	0.9
86.02325	14.8
87.00722	1.0
88.68533	0.5
89.02296	1.3
96.04410	0.7
96.95877	1.3
96.96831	0.7
99.00659	0.7
101.02299	1.1
106.06710	0.5
107.06009	0.5
107.76997	0.5
109.02836	1.2
109.07553	0.9
110.02358	0.5
112.30463	0.5
113.02348	0.9
113.09593	2.0
114.93315	0.5
115.79327	0.6
117.03344	1.0
119.03331	0.5
121.02840	1.5
127.05008	1.8
127.08640	11.9
127.99214	1.1
128.03406	100.0
128.07187	1.2
129.03755	0.6
132.02005	0.5
133.02866	1.7
134.03638	2.0
135.04375	2.9
137.02310	1.3
139.03830	0.6
145.02827	1.3
153.06598	7.7
159.08394	2.3
161.02309	3.3
161.09952	57.6
161.15224	0.8
162.03000	1.0
162.10327	1.0
163.03960	1.1
171.07657	41.9
178.02655	0.6
179.03307	1.3
179.04584	2.0
181.04932	1.3
197.05696	1.2
204.04289	0.6
209.96248	0.5
211.03862	0.7
215.06673	5.4
227.03462	7.0
228.03900	0.6
248.13255	11.7
249.13245	0.5
255.02954	10.4
256.03452	1.8
261.94809	0.6
271.02539	2.6
284.03293	11.3
285.03683	2.1
300.02777	4.3
301.03519	0.9
303.21826	1.4
341.10825	1.3
359.16562	3.5
377.08926	9.4
377.17432	14.9
377.58926	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08503	0.7
55.01754	2.2
56.20405	0.7
56.44576	0.6
57.03313	4.9
58.00439	0.6
59.01244	46.4
59.02394	0.9
60.01576	0.8
68.99680	0.8
69.03307	1.2
70.99530	0.9
71.01240	60.9
71.02763	0.9
72.99166	6.5
73.02805	25.5
73.04391	0.7
75.00745	2.0
81.03295	0.7
83.01245	15.7
83.49185	0.6
85.02808	34.1
85.04799	0.7
85.84430	0.6
85.99948	1.7
87.00748	3.3
89.02306	6.4
92.21386	0.7
93.03326	2.8
94.94328	0.6
95.01235	4.3
95.04906	0.7
96.95876	1.4
97.02816	2.1
98.99368	0.8
99.00745	11.6
100.99419	0.8
101.02305	62.3
101.04871	1.2
107.04890	1.9
109.02837	2.1
109.06440	6.7
111.00782	1.8
111.04401	0.9
113.02311	29.0
119.03358	1.3
121.02801	1.0
123.04425	0.8
123.11672	1.0
125.02355	1.8
129.01819	1.8
131.03448	1.0
133.02831	1.2
134.03624	1.2
135.04417	2.0
143.03389	2.1
149.02304	1.0
149.09610	33.9
150.03116	2.4
150.09947	2.0
151.03912	5.8
151.11203	0.7
153.01817	1.0
153.05510	1.1
159.02884	9.7
161.04456	35.9
161.09602	2.2
161.51564	1.1
164.08229	0.8
165.09213	1.3
171.13835	3.6
173.04482	3.9
177.01892	3.5
177.09084	0.8
179.03525	1.5
179.10681	11.5
180.04198	1.3
181.04971	2.8
193.08650	2.3
203.07130	2.1
203.12888	1.1
205.03474	1.3
205.08844	1.1
209.11832	2.5
215.12781	0.9
217.08688	0.9
221.00941	2.0
235.09778	2.8
237.07759	5.1
241.14394	0.8
253.10825	0.8
261.07617	6.4
267.08746	5.0
279.08768	2.3
324.80942	0.7
329.10025	0.8
333.19254	14.9
334.19205	0.7
341.08740	18.1
342.09082	0.8
377.18210	100.0
378.18390	5.6
393.47388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.5
59.01232	0.2
71.04874	0.8
75.49561	0.2
81.45491	0.2
83.04870	0.2
84.02028	0.5
85.06440	2.9
85.74751	0.2
86.03564	0.3
88.55278	0.2
88.55750	0.3
92.02534	0.7
99.08016	1.5
103.83272	0.3
106.04103	3.0
107.04882	1.0
108.02016	2.7
111.08002	0.7
113.09563	0.7
116.48457	0.2
119.04886	3.2
121.02818	3.9
123.08040	0.4
129.09074	0.4
133.06480	1.1
141.09149	0.3
161.09549	0.3
175.11211	0.4
177.09027	0.3
189.12744	1.0
191.14362	2.2
203.14330	4.0
205.12262	0.2
215.14339	1.1
217.12073	0.2
217.15833	0.4
219.13860	13.3
220.14148	0.4
229.15955	0.7
231.13980	0.4
231.17531	2.5
233.15471	3.0
235.13387	1.0
243.17532	2.7
245.15443	2.1
247.17023	9.9
247.19595	0.5
248.17314	0.3
257.15494	0.8
260.17725	0.3
261.18509	1.3
275.20126	0.5
285.22211	0.4
287.23923	1.4
295.20499	0.3
297.22192	1.0
303.23343	0.5
313.21768	11.1
314.22067	0.3
315.23303	15.4
316.23856	0.5
331.22549	0.4
333.24374	14.9
334.24612	0.6
338.00809	0.2
341.10739	0.2
377.23349	100.0
378.23682	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22760	0.3
57.03308	0.7
63.11621	0.3
71.04876	0.8
78.74688	0.3
85.74768	0.5
88.55238	0.9
88.55804	0.7
91.22874	0.4
92.02519	1.0
97.06460	0.4
106.04104	3.5
107.04939	1.8
108.02037	0.6
119.04892	2.4
121.02823	2.9
126.82761	0.4
133.06444	0.6
175.11218	0.4
177.09134	2.4
177.12798	0.5
188.72949	0.4
189.12750	1.2
203.14348	1.6
205.15913	0.5
219.13904	0.5
231.13937	2.5
233.15387	1.8
235.13286	1.8
247.17023	6.9
259.17126	2.3
261.18564	0.6
275.20087	0.5
285.22260	2.7
295.20627	1.1
297.22366	0.6
303.23376	3.1
313.07291	0.4
313.21750	28.5
314.22134	1.3
315.23254	2.7
333.24368	69.5
334.24689	4.5
377.23352	100.0
378.23660	8.1
393.31213	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92777	0.3
57.03318	1.1
59.01243	4.2
72.99142	0.4
83.11646	0.5
85.06433	0.5
86.31696	0.4
88.55287	1.0
88.55741	0.6
95.04888	1.5
106.04113	0.8
108.02033	27.5
113.09602	0.7
119.04889	0.9
121.02823	2.7
122.03605	16.7
123.03924	0.5
124.01528	0.4
127.11206	0.5
135.04396	8.4
135.05441	0.5
137.02307	1.0
149.05983	0.9
152.01047	0.8
154.02579	0.8
191.10667	0.6
195.13828	4.8
203.46375	0.5
205.12306	3.7
217.12029	0.9
219.13878	1.8
233.15396	1.3
243.17436	0.6
246.12344	0.5
247.17032	5.5
261.18597	1.5
263.16534	11.5
277.21658	4.8
278.11328	1.7
295.22787	26.8
296.23126	2.0
297.22195	0.5
315.23264	11.4
316.23425	1.1
317.20984	13.7
318.21292	0.8
331.22769	2.6
332.23239	0.8
333.24380	36.6
334.24655	3.2
336.67676	0.5
361.20178	0.7
377.23352	100.0
378.23651	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
66.64931	0.5
69.44259	0.5
71.22438	0.5
77.28573	0.5
80.64230	0.5
88.55236	1.1
88.55721	0.8
98.91908	0.6
102.37007	0.6
108.02016	2.7
109.69445	0.6
111.31293	0.5
122.03601	19.6
124.01433	0.5
135.04401	8.8
149.06209	0.6
154.02557	1.2
175.55054	0.7
177.09216	0.6
205.12283	1.7
215.03304	0.6
219.13876	8.0
235.13263	3.3
247.13255	0.8
247.17067	1.4
305.24915	1.5
315.23288	11.7
315.26907	0.8
331.22791	5.4
333.24365	52.5
334.24603	2.1
377.23346	100.0
378.23715	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	377.2333
Annotation	17-Acetoxygrindelic acid
Peak:m/z	Relative Intensity
52.21141	0.2
52.33762	0.1
59.01237	0.2
60.00568	0.2
70.56898	0.4
72.70584	0.2
77.45670	0.2
89.02251	0.2
92.02524	0.4
97.97352	0.2
106.04107	2.8
107.04890	0.5
108.02014	0.3
113.09573	2.3
119.04886	0.7
121.02814	2.0
129.08986	0.3
132.39969	0.5
141.09042	0.3
142.09843	0.4
143.10582	0.2
189.12701	0.9
191.14333	9.9
192.14684	0.5
201.12799	0.2
217.12292	0.3
219.13857	44.3
220.14240	2.3
226.89317	0.2
233.15463	0.7
235.13388	1.0
240.15147	0.2
248.14157	0.9
249.14734	0.3
287.23685	0.4
303.23294	5.9
304.23520	0.5
305.24725	0.9
313.21753	0.6
315.23346	1.2
331.22815	4.3
332.23187	0.4
333.24365	12.2
334.24811	1.3
341.10754	0.4
347.75778	0.2
377.23346	100.0
378.23706	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	377.2335
Annotation	F4-Neuroprostane (7-series)
Peak:m/z	Relative Intensity
59.01228	0.6
70.50323	0.3
70.56919	0.3
71.35543	0.3
72.99149	0.5
75.47181	0.3
81.60371	0.3
92.02534	0.8
99.08012	1.0
106.04092	3.0
107.04898	1.9
108.02055	0.3
109.06460	0.3
111.07986	0.6
119.04897	6.7
119.05730	0.3
121.02815	3.0
129.09076	0.7
133.06464	1.8
137.02353	0.4
147.23293	0.3
160.88962	0.3
161.09637	0.5
163.63060	0.3
175.11095	0.6
189.12732	0.4
191.14310	1.3
203.14355	9.2
204.14735	0.4
205.15918	0.4
217.15932	1.2
219.13857	20.4
220.14296	1.3
231.13792	0.5
233.15445	6.7
234.15753	0.3
235.13327	0.4
243.17722	0.4
257.19125	0.9
259.20496	0.3
271.20691	1.0
281.19138	0.4
285.22263	18.2
286.22665	1.5
287.23792	1.0
295.20639	1.4
297.22253	13.6
298.22595	1.4
303.23218	0.7
313.21667	2.0
315.23300	7.8
316.23651	0.5
331.22910	1.7
333.24380	7.0
334.24667	0.4
377.23355	100.0
378.23676	9.0
396.90118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64179	0.8
56.21082	0.9
59.01241	1.9
59.46674	1.0
65.87921	1.0
68.60216	0.8
69.80016	0.8
70.89648	0.8
77.27585	1.4
78.75751	0.8
84.28999	1.2
88.25265	1.0
92.02552	2.3
99.08039	5.7
106.04095	8.9
107.04876	1.4
108.02026	2.5
115.47683	1.1
119.04894	24.5
121.02815	8.8
133.06451	5.9
150.03122	9.1
152.01057	2.0
161.09572	3.2
163.03917	16.4
175.11157	5.7
177.05457	4.8
182.02139	4.1
189.12756	3.5
203.14333	23.1
205.08694	2.1
215.14339	4.8
217.15840	2.5
219.10211	3.9
231.17513	93.1
232.17880	2.9
233.11681	2.4
233.15607	1.8
241.15985	2.3
245.15431	1.7
247.17061	2.1
259.17026	32.2
260.17459	1.6
261.18652	3.8
273.18503	1.6
275.12900	6.4
275.16528	3.1
294.14664	2.8
299.23874	2.0
303.16049	85.7
304.16409	3.1
311.73718	1.4
315.23306	100.0
316.23691	4.4
333.24323	4.9
351.19583	1.3
359.22321	47.4
360.22806	2.8
377.23215	22.1
377.27423	1.7
378.23593	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2335
Annotation	F4-Neuroprostane (4-series)
Peak:m/z	Relative Intensity
52.53683	1.0
52.53897	0.6
52.60511	0.4
60.47457	0.5
62.17089	0.5
62.50591	1.0
73.53840	0.6
77.32482	0.6
92.02518	2.6
106.04099	12.7
107.04903	4.7
108.02012	2.6
111.08016	0.6
119.04887	17.3
119.05746	1.0
121.02021	0.9
121.02824	11.6
122.03562	0.9
127.11121	0.6
133.06500	4.4
147.08047	2.0
150.03116	54.1
150.07957	0.7
151.03433	1.6
152.01021	2.7
154.44540	0.6
161.09605	2.5
163.03905	14.6
165.01807	1.1
175.11218	4.1
177.05461	3.9
182.02116	23.2
187.11198	1.3
189.12721	4.3
191.07060	1.3
192.59233	0.6
203.14346	71.2
204.14685	4.5
205.08649	2.4
205.12271	1.5
219.10103	0.9
219.13895	1.8
231.13863	18.6
231.17375	1.2
232.14130	1.1
233.11761	2.3
233.15446	9.4
234.12572	0.9
235.13344	2.7
245.15401	2.9
247.13409	2.7
259.17047	0.7
266.11624	2.1
275.12906	49.7
276.13245	2.4
297.22229	1.3
303.15945	1.8
315.23285	100.0
316.23639	8.7
333.24393	2.2
343.22949	1.1
359.22302	43.6
360.22586	4.3
377.23309	16.1
378.23495	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2334
Annotation	17-Acetoxygrindelic acid
Peak:m/z	Relative Intensity
53.22104	0.2
55.82783	0.2
59.01226	0.3
60.44281	0.2
61.57092	0.2
70.56903	0.4
70.57235	0.3
71.01247	0.2
88.36459	0.2
89.02296	0.2
92.02525	0.6
103.83372	0.2
106.04107	2.6
107.04888	0.6
113.09583	2.7
119.04865	1.1
121.02837	2.4
122.03584	0.3
124.73084	0.2
132.39964	0.5
132.90508	0.2
141.09035	0.2
142.09892	0.4
179.05501	0.3
189.12708	1.1
191.14345	11.4
192.14734	0.8
217.12154	0.5
219.13863	47.8
220.14185	2.0
222.19043	0.2
233.15472	0.5
233.21112	0.2
234.37347	0.2
235.13428	1.5
247.13319	0.3
248.14177	1.3
249.14999	0.3
271.02481	0.3
287.23914	0.3
300.02933	0.6
303.23291	6.2
304.23712	0.5
305.24829	1.1
313.21729	0.8
315.23441	1.5
331.22836	5.0
332.23254	0.4
333.24371	13.0
334.24631	0.7
334.28369	0.3
341.10938	0.9
368.83762	0.3
374.87729	0.2
377.23352	100.0
378.23672	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	377.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82302	0.7
58.81786	0.6
59.01229	2.6
59.99913	0.7
61.00626	0.7
61.98685	1.0
69.57274	0.6
78.87682	0.7
85.06456	0.8
88.56206	1.2
88.56664	0.8
92.02571	1.0
95.78952	0.7
99.07999	0.8
99.92420	2.2
106.04108	3.3
108.02108	0.9
116.92743	2.4
117.03261	0.8
119.04913	3.6
121.02840	4.5
149.02341	1.0
150.03162	1.5
163.03934	2.3
182.02135	1.9
203.14305	3.8
222.93629	0.8
231.13936	1.2
231.17503	1.1
233.19150	1.8
247.16843	1.2
247.20676	1.6
261.18637	4.6
261.21997	0.7
275.12988	2.1
275.20242	1.1
275.23874	1.8
277.21716	6.1
279.22360	1.1
303.16025	1.0
315.23318	7.0
315.27011	4.0
331.22421	1.8
331.26440	36.6
332.26746	3.1
333.24536	2.4
333.27988	66.5
334.28333	5.7
341.10776	1.1
359.22290	1.7
377.27042	100.0
378.27457	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	377.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80790	1.1
59.01237	4.6
79.32418	1.0
80.02522	1.5
80.88867	1.1
93.03322	2.7
95.02499	1.3
95.04879	100.0
96.05232	1.9
119.04901	2.0
121.02821	2.8
131.40167	1.3
139.03877	4.1
150.03133	3.7
163.03952	3.2
175.11235	1.2
182.02122	3.2
203.14369	5.7
231.13943	2.0
231.17628	3.0
275.12955	5.5
275.23874	2.7
290.21393	1.5
303.16223	3.1
315.23129	10.8
317.24820	1.8
333.24252	2.5
333.28009	4.8
341.10995	2.0
359.22354	5.4
377.08817	2.6
377.23172	6.0
377.27084	61.0
378.27325	4.7
392.88403	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62530	0.6
58.99965	0.5
59.01242	17.9
60.01581	2.0
61.01661	2.7
61.97335	1.5
61.98693	100.0
61.99886	1.2
65.13669	0.4
67.56430	0.4
71.01229	3.1
72.04419	0.4
72.99167	0.5
73.02807	1.0
73.34151	0.4
73.80914	0.5
79.95605	0.6
80.96386	0.7
82.21050	0.4
85.02812	1.3
87.02593	0.4
89.02312	1.1
93.03328	1.3
96.95866	23.9
98.62785	0.4
101.02308	2.3
106.04336	0.5
109.02836	0.6
111.00716	0.6
113.02317	1.1
119.03432	0.5
120.99534	1.7
123.00797	0.8
124.01089	0.5
125.02332	0.6
131.14616	0.4
132.83678	0.4
135.04488	0.5
137.02347	1.9
138.03151	0.8
139.03458	0.8
140.03639	0.5
153.05446	0.7
154.05806	0.7
161.04422	1.0
215.09227	1.0
216.09604	1.1
241.00212	33.3
241.09665	0.4
255.19493	1.1
299.07809	0.6
334.15039	0.6
377.14682	1.9
378.14783	2.8
379.03427	3.7
379.11115	0.5
379.16144	1.6
379.63162	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0341
Annotation	CHEBI:70616
Peak:m/z	Relative Intensity
51.09476	0.2
59.00976	0.3
59.01243	3.2
71.01239	4.3
71.04875	0.8
72.99149	0.4
73.02797	0.7
76.32864	0.2
79.95592	2.1
80.96377	2.4
83.01241	0.8
85.02814	1.0
87.00722	1.5
88.03901	0.7
89.02306	1.3
91.72724	0.3
93.03333	2.4
96.93410	1.6
96.95867	100.0
96.98695	0.8
97.95805	0.4
99.00757	0.3
101.02299	2.8
107.04863	1.2
113.02279	1.5
119.03365	0.6
122.97365	0.3
129.32785	0.3
131.11623	0.3
135.04384	0.4
137.02324	1.5
138.96927	0.6
146.08112	6.9
148.76494	0.3
150.96948	0.4
163.03932	0.3
166.96428	0.9
179.03403	1.6
180.98018	0.3
190.26073	0.2
199.09628	0.4
222.99033	0.5
235.75768	0.3
241.00211	49.2
242.00511	1.4
251.64705	0.2
299.07755	2.1
308.13461	0.5
379.03415	56.3
380.03769	3.4
380.15607	12.3
396.92947	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90944	0.7
55.01757	0.8
57.03308	2.0
59.01234	0.8
69.03309	1.0
71.01236	0.8
71.04879	2.5
71.96880	0.6
72.67567	0.7
72.98784	1.2
72.99168	14.6
73.02800	3.0
83.04875	1.0
85.02788	1.1
93.03342	1.0
95.04880	2.6
97.06519	0.8
105.06974	1.3
106.40771	0.7
107.41624	0.6
111.04343	0.9
113.02299	7.3
119.04866	1.3
121.02827	1.1
121.06428	1.0
121.10106	1.6
123.08009	3.6
125.02328	4.4
130.04126	0.8
131.04895	2.0
133.06454	1.7
139.03952	0.7
141.01834	1.9
149.02386	1.3
149.05954	6.2
149.09598	1.8
151.07545	1.2
151.11250	1.2
158.03624	0.8
159.04393	8.9
165.12799	1.6
167.03345	1.0
170.07352	1.0
176.04694	0.9
177.05428	3.5
177.12764	8.1
179.10710	2.3
179.14343	6.2
180.14629	0.9
185.02391	0.9
187.07510	1.0
189.12729	1.6
191.07135	1.2
191.14369	0.9
193.05006	2.0
193.08644	1.1
193.12265	1.5
203.03381	3.7
203.14340	1.1
205.15984	1.8
207.10226	0.9
207.13850	2.9
207.17470	4.8
214.06366	1.4
215.10742	1.1
215.14380	1.6
216.11488	8.9
217.15948	4.8
227.14415	2.3
233.11826	5.7
233.15417	4.4
235.17010	11.3
245.15454	16.1
249.14934	0.9
260.10547	8.2
261.14899	1.3
263.16611	4.3
271.13394	7.5
277.11096	1.0
277.14377	3.9
279.16019	6.0
289.14560	4.6
305.13971	3.7
307.15558	12.1
323.15152	1.1
333.13467	13.5
334.13763	1.0
351.14502	100.0
352.14853	9.0
367.13727	1.2
379.13925	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	379.1399
Annotation	Polyandrol
Peak:m/z	Relative Intensity
55.01762	2.8
57.03310	3.5
59.01238	11.7
71.04865	5.3
72.99168	18.4
73.02783	3.5
73.32129	1.8
78.08591	2.0
81.03309	1.9
83.04904	2.3
91.72800	2.6
93.03322	4.7
99.89038	2.1
107.04913	2.9
109.02779	2.3
112.01521	2.4
113.02309	13.1
119.04903	3.2
121.06483	2.7
123.08062	4.6
125.02338	7.3
149.05992	6.7
159.04416	8.7
163.03891	14.7
165.12767	3.8
165.61116	2.2
177.05478	3.8
177.12773	17.4
179.14297	5.6
188.08331	3.5
189.12871	4.1
203.03639	3.0
205.12427	2.6
207.13910	8.0
207.17453	8.0
215.14391	3.6
216.11540	9.3
217.12338	4.7
217.15901	12.0
227.14392	2.6
233.11809	5.1
233.15373	12.6
235.13380	4.9
235.16953	16.7
245.15485	24.5
249.15115	5.1
260.10556	8.2
261.14948	22.5
262.85812	2.6
263.16458	11.4
271.13428	5.4
273.15152	2.9
277.11493	3.6
277.14383	16.6
279.16132	7.1
289.14496	8.9
291.16074	10.0
305.14139	12.5
307.15518	12.2
333.13467	20.5
341.10492	6.2
343.21353	12.1
351.14505	100.0
352.14877	6.7
379.13867	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1611
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.78057	0.3
55.01745	0.7
57.03311	0.7
58.02837	0.4
59.00121	0.4
59.01241	16.7
61.98687	0.8
69.03329	0.3
71.01235	11.5
71.36977	0.3
72.98788	0.6
72.99165	9.0
73.02801	4.5
73.03886	0.4
73.69910	0.3
83.01256	1.9
83.04879	0.4
85.02802	4.9
87.00729	2.0
87.04331	0.5
89.02290	4.7
93.03297	0.6
95.01220	1.2
96.96844	0.4
97.02750	0.5
97.06438	1.5
99.00716	0.9
99.04340	0.7
101.02302	8.4
104.67181	0.3
107.04836	0.4
108.07038	0.3
111.04362	0.4
113.02291	3.9
119.03395	1.8
123.08077	0.4
125.02313	0.5
125.05943	0.7
129.01794	0.4
135.08022	0.5
138.27405	0.4
143.07010	1.0
153.09129	0.5
159.02896	0.6
160.96385	0.6
161.04445	0.8
173.04474	0.5
181.08586	1.2
194.04413	0.7
199.09682	4.5
217.10744	4.1
319.13904	1.3
361.15070	2.2
379.16101	100.0
379.36292	0.9
380.16464	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	379.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36675	0.3
57.02026	0.8
57.02287	1.1
57.03316	81.3
57.04502	1.5
58.03648	0.9
58.99873	1.0
59.00151	1.0
59.01242	92.9
59.02488	1.5
60.01587	0.6
61.40725	0.4
71.01239	9.0
72.99194	0.7
73.02805	4.5
80.72060	0.4
81.03314	2.3
83.01247	3.2
85.02798	6.3
87.00724	0.5
87.59219	0.4
88.03919	0.9
89.02308	0.7
96.95873	0.8
97.02802	0.8
99.00728	1.1
99.02016	1.1
99.04375	100.0
99.07056	1.2
100.04707	0.9
101.02302	28.4
107.24045	0.4
109.02839	0.4
113.02312	4.7
115.00250	0.7
125.02313	33.1
126.02625	0.5
142.18689	0.4
143.03375	1.9
159.02840	1.1
161.04428	4.4
216.08928	0.5
227.03754	0.5
235.11839	26.4
236.12143	1.2
253.21805	0.5
277.12811	2.0
292.92694	0.4
317.16031	1.0
319.10687	0.5
351.14441	1.0
379.04678	0.5
379.10474	0.7
379.17108	2.4
380.17004	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	379.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12943	0.5
57.03317	94.8
57.04486	1.5
59.00144	1.7
59.01243	100.0
59.02465	1.9
59.78698	0.7
71.01244	7.9
73.02792	4.4
79.14477	0.8
81.03325	2.0
82.29437	0.6
83.01253	2.5
85.02822	7.5
88.29936	0.7
89.02309	1.1
96.96840	1.9
99.00782	2.2
99.04377	98.5
99.07059	1.2
100.04715	1.7
101.02299	33.0
101.02948	1.7
113.02320	5.2
125.02319	35.7
126.02637	0.9
139.02254	0.8
143.03430	3.5
161.04436	4.5
173.04459	0.9
235.11844	27.8
277.12927	6.7
317.16162	1.4
379.16211	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	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01732	0.9
55.92257	0.7
57.02255	1.3
57.03315	86.6
57.04472	1.7
58.03648	1.3
59.00135	1.0
59.01241	66.6
59.02460	1.0
61.98683	1.5
71.01231	11.5
73.02802	13.4
78.81469	0.8
78.95747	0.7
81.03310	2.3
83.01235	5.1
85.02806	9.9
87.00738	0.8
89.02277	2.3
99.00747	3.2
99.04373	65.5
100.04706	1.4
101.02297	45.8
101.05037	1.1
105.01780	1.4
113.02313	6.7
125.02311	24.0
135.00859	0.9
143.03378	3.3
159.02809	1.4
161.04434	11.9
173.04454	1.5
181.95558	0.8
199.28410	0.9
200.69835	0.9
221.45100	1.3
235.11838	100.0
236.12152	4.1
236.98248	1.2
277.12973	8.6
303.88974	1.0
317.16074	2.2
339.68286	0.9
379.15723	8.7
379.19891	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41201	0.4
58.29188	0.4
59.00116	1.8
59.01243	100.0
59.02533	1.5
60.01575	0.9
63.58076	0.5
67.55331	0.4
70.08705	0.4
71.01241	6.9
72.99167	0.7
73.02807	0.9
83.01253	1.2
85.02793	2.4
87.00760	0.6
89.02300	9.6
96.95874	5.1
101.02294	5.4
102.32509	0.4
104.40627	0.5
109.02855	0.6
113.02329	3.0
119.03387	2.9
120.99551	1.4
121.37161	0.4
125.02344	0.5
128.35661	0.5
139.07585	2.1
146.49763	0.5
161.04477	0.7
171.04604	0.5
177.93988	1.0
179.05702	0.7
179.93739	0.7
181.63924	1.4
219.19847	0.5
241.00302	2.5
292.90527	0.5
301.12820	0.5
319.13980	35.3
320.14307	2.3
340.99741	0.7
351.14578	0.6
379.07275	2.1
379.16022	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1612
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01753	0.9
57.03318	9.8
59.01242	36.8
59.55754	0.7
70.35122	0.8
71.01239	14.3
72.97375	2.4
72.99181	1.7
73.02786	2.3
75.00682	0.7
80.98982	0.8
81.40810	0.6
83.01221	1.2
85.02803	4.0
87.00699	2.1
89.02293	12.5
95.01228	1.2
96.95853	2.8
99.04379	10.0
99.62302	0.7
101.02305	11.7
113.02314	5.5
119.03401	4.9
125.02296	4.3
127.11128	1.8
137.09587	2.5
139.11082	1.0
142.78722	0.7
143.03328	1.1
155.10675	26.8
156.11012	0.8
157.08636	0.9
158.03656	0.7
160.96358	1.3
161.04425	2.1
163.07578	1.6
171.10173	18.8
172.10535	0.8
173.11732	1.7
179.05502	1.3
199.07849	1.0
199.09709	8.8
199.13338	1.0
201.11255	2.5
213.11301	6.6
217.10765	46.7
218.11150	1.7
231.12367	1.0
235.11861	7.2
259.11856	6.6
278.06958	0.8
293.51712	0.8
308.95804	0.7
320.03107	1.1
335.05667	1.1
343.14035	2.4
361.14676	1.3
379.16049	100.0
380.16504	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	379.249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09602	0.5
54.54857	0.5
55.01751	1.1
57.03317	1.2
58.00464	0.6
58.32055	0.5
59.01240	4.9
69.03318	3.8
70.10303	0.6
71.01244	1.0
71.04883	2.5
71.10173	0.6
73.02814	2.8
75.03193	0.7
80.02530	4.4
80.19965	1.2
81.03313	15.0
83.04894	0.7
84.02029	10.8
92.97605	0.7
93.18752	0.6
95.65682	0.6
97.02834	1.8
98.03592	27.3
99.04379	14.8
104.21000	0.7
108.02033	28.6
111.08161	0.6
122.03625	2.4
122.95192	0.6
126.03102	9.2
135.04416	0.9
141.77158	0.7
169.52310	0.6
237.22214	2.0
249.96321	0.7
261.22281	1.5
263.23782	7.8
265.25369	2.9
275.23822	6.5
279.26987	1.5
289.22171	1.4
289.25406	29.9
290.25681	2.2
291.23300	5.8
291.26962	3.7
292.24048	1.5
293.24890	27.7
294.25259	2.4
305.24756	2.1
307.26443	100.0
308.26788	7.4
317.24872	18.9
318.25067	1.4
335.25943	53.0
336.26324	4.9
361.23877	2.7
379.24988	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14148	0.2
56.09903	0.2
56.15093	0.2
58.00445	0.9
59.01220	0.5
73.25030	0.3
75.34502	0.2
88.78162	0.3
92.02556	0.3
99.08014	5.8
104.00121	0.2
106.04101	1.5
107.04875	0.5
119.04896	1.4
121.02809	1.7
122.04762	0.2
127.07516	0.9
127.50935	0.3
129.09070	3.0
133.06425	0.3
149.86037	0.2
197.78230	0.2
203.14330	0.4
205.15918	10.0
206.16237	0.4
215.14333	0.6
217.15938	3.7
218.16183	0.2
231.13838	1.0
233.15439	31.4
234.15738	1.4
235.16989	0.7
259.20691	0.6
261.15021	0.7
261.18393	0.3
262.15720	0.8
263.16492	4.3
275.19977	0.3
277.21848	0.3
287.23944	0.3
297.15503	0.3
297.81927	0.3
299.23807	8.7
300.24048	0.7
303.23285	3.4
305.24982	0.4
315.23453	1.4
317.24850	2.6
321.20807	0.3
331.22809	4.4
333.24377	17.8
334.24753	1.2
335.25931	13.8
335.30063	0.5
336.26358	1.1
351.14618	0.4
379.24915	100.0
380.25226	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	379.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10808	0.4
58.00451	1.7
65.61659	0.5
75.67085	0.7
81.20659	0.5
85.06454	6.7
89.06282	0.5
91.72779	0.7
92.02514	0.5
99.93816	0.5
106.04099	2.1
113.05907	1.7
115.07508	4.8
119.04897	1.1
121.02822	1.1
124.89883	0.4
204.68257	0.5
219.17484	11.4
220.17862	0.9
231.17476	3.5
244.18629	0.6
247.17021	28.8
248.17377	1.4
275.16409	0.9
276.17227	0.9
277.18057	4.5
299.23782	6.6
300.23996	0.6
303.23227	2.1
315.23392	1.3
317.24872	1.5
331.22964	3.4
333.24353	14.4
334.24545	0.8
335.25931	21.1
336.26254	2.1
379.24911	100.0
380.25223	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	379.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76495	0.2
58.00216	0.2
58.00462	1.9
59.01229	0.2
59.29560	0.2
59.73738	0.1
68.98717	0.2
70.73191	0.2
76.04076	0.2
82.75350	0.2
83.23234	0.2
92.02539	0.3
106.04089	1.6
107.04868	0.5
111.08010	0.5
113.09583	7.9
119.04878	1.0
121.02828	1.7
133.66014	0.3
141.09123	1.0
142.09872	0.2
143.10666	3.6
184.82213	0.2
189.12770	0.7
191.14331	13.8
191.21696	0.2
192.14622	0.7
203.14368	2.7
217.12279	0.3
219.13860	31.4
220.14243	1.3
221.15454	0.8
233.15451	0.3
235.13345	0.7
238.47348	0.2
242.80334	0.2
247.13432	1.3
247.16969	0.3
248.14081	0.6
249.14952	6.6
250.15375	0.4
289.98694	0.2
299.23795	6.3
300.24191	0.6
303.23328	2.3
304.52362	0.2
305.24905	0.5
313.21710	0.2
315.23230	1.1
317.24814	2.3
331.22803	3.0
333.24368	13.4
334.24771	1.3
335.25931	19.6
336.26254	1.5
351.80295	0.2
361.23740	0.2
371.93570	0.2
379.24911	100.0
380.25284	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	379.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23518	1.5
56.70325	1.4
59.01252	8.8
59.25327	1.6
69.03310	3.5
71.01226	2.2
71.04892	2.4
72.99142	1.9
73.02790	1.7
80.02538	2.5
81.03310	9.7
84.02013	9.4
97.02778	2.3
98.03588	25.6
99.04359	14.0
108.02043	13.0
126.03111	9.2
128.38773	1.8
263.23828	7.6
265.25375	3.4
275.23773	6.3
289.25409	24.8
290.25604	2.3
291.23422	3.3
292.23999	2.1
293.24930	22.4
297.24295	4.7
307.26443	100.0
308.26770	5.0
317.24844	10.6
335.25949	56.4
351.14566	4.9
379.24814	25.1
379.29095	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	379.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12838	0.3
53.43101	0.2
58.00459	0.7
59.01237	0.6
69.03297	0.3
71.04881	4.1
78.00102	0.4
88.78121	0.3
89.05817	0.2
92.02562	0.4
94.93517	0.2
99.04373	0.5
100.05157	0.5
101.05940	4.4
101.14283	0.3
101.84548	0.3
103.91628	0.2
106.04111	1.2
107.04898	0.5
112.30176	0.3
114.11423	0.3
119.04893	1.5
120.69082	0.3
121.02831	1.6
133.06471	0.3
137.02325	0.3
137.17892	0.3
166.66808	0.3
208.61618	0.3
217.16031	0.3
231.17520	0.8
233.19080	9.9
245.19096	4.5
246.19435	0.4
259.16965	0.7
261.18607	26.2
262.18964	1.1
269.11221	0.3
289.18030	0.4
290.19058	0.4
291.19659	3.2
297.15393	0.6
299.23807	8.1
300.24261	0.3
303.23285	2.9
313.21692	0.8
315.23260	1.6
317.24915	2.4
331.22775	4.4
333.24380	17.9
334.24631	0.8
335.25955	14.1
336.26340	0.8
351.14575	0.3
379.24918	100.0
380.25299	4.6
403.19305	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	0.9
59.01231	0.8
61.25639	0.3
66.04895	0.3
71.01229	0.3
71.12307	0.3
75.67097	0.6
75.67484	0.4
77.18822	0.3
85.06441	6.1
88.78137	0.5
106.04124	1.2
108.02034	2.3
113.05942	1.1
115.07511	3.5
119.04902	1.5
121.02818	2.8
124.11350	0.3
175.11163	0.4
214.64993	0.3
217.15927	0.7
219.17488	9.0
220.17816	0.4
231.17538	3.9
245.15402	1.2
247.17024	27.1
248.17422	1.5
249.18608	0.6
261.18658	0.6
273.22134	0.7
274.84186	0.4
275.16528	0.6
275.20264	0.8
276.17389	0.8
277.18094	3.5
278.18381	0.5
299.23828	7.8
300.24265	0.7
303.23276	3.1
305.24933	0.4
313.21695	0.4
315.23322	1.5
317.24939	2.4
331.22864	4.1
332.23026	0.4
333.24368	16.9
334.24649	1.1
335.25940	14.9
336.26401	0.7
351.14410	0.9
361.13174	0.6
379.24918	100.0
380.25272	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	379.2491
Annotation	Cordobic acid 18-acetate
Peak:m/z	Relative Intensity
51.36437	0.3
57.03306	0.7
58.25043	0.2
58.96375	0.2
59.01236	0.7
64.56295	0.2
65.82265	0.2
67.45062	0.2
81.09846	0.3
83.04863	0.4
85.06447	1.2
88.78138	0.5
89.05753	0.8
89.06336	0.6
92.02531	0.4
95.11861	0.4
99.08025	0.8
101.14205	0.6
106.04097	1.7
107.04868	0.6
109.06451	0.3
119.04899	1.1
121.02810	2.1
122.74412	0.3
139.44812	0.3
163.11177	2.3
169.12187	0.5
177.12817	0.3
191.10680	3.4
191.14391	1.2
205.15915	2.0
219.13858	1.4
231.13971	0.4
233.15422	5.2
234.15887	0.4
245.19099	0.9
247.17058	0.7
249.18452	0.3
259.17007	0.6
273.22314	1.3
289.21716	2.6
291.23398	0.9
299.20416	1.3
299.23438	0.4
303.23224	0.3
313.21710	3.8
315.23270	2.2
317.24878	4.1
319.22845	1.0
331.22751	2.8
332.23083	0.3
333.24380	25.0
334.24744	2.4
335.25937	56.7
336.26318	4.7
346.48767	0.3
351.14539	0.6
378.24097	0.4
379.24911	100.0
380.25275	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24645	0.2
52.81884	0.3
57.03316	2.6
57.44180	0.2
58.01640	0.3
58.02840	19.3
59.01241	5.2
60.99170	1.3
61.98684	0.8
64.64030	0.3
67.01747	6.5
68.99673	0.3
69.03313	1.2
71.01237	3.1
72.17566	0.3
73.02811	0.5
81.03326	0.9
83.04861	1.0
85.02814	3.0
87.00730	4.4
92.77689	0.2
93.03314	35.5
94.03652	0.9
99.00749	0.8
99.04380	1.8
100.04729	0.4
101.02293	0.8
109.02827	1.0
110.76201	0.3
111.00745	0.8
111.04382	6.2
113.02303	1.0
125.02280	0.4
125.85383	0.3
127.00259	1.5
127.03861	0.7
129.01804	0.5
134.03606	1.1
137.02324	3.7
149.22983	0.3
155.03392	4.3
164.07063	8.5
167.97795	0.3
172.98123	0.9
173.04459	100.0
174.04788	2.5
178.02570	0.4
182.04506	0.4
187.02477	0.3
191.05534	27.4
192.05908	0.8
193.05037	0.6
206.08163	31.0
207.08476	1.4
236.12086	0.4
264.90591	0.3
300.98871	0.3
380.13464	11.8
381.13693	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02841	52.0
58.04010	1.0
59.01243	3.5
59.01693	0.2
67.01764	0.6
69.03302	0.3
69.63567	0.2
71.01220	1.7
72.99152	1.5
73.02806	0.4
75.00748	0.3
75.55078	0.2
81.03297	0.6
83.04882	1.0
85.02811	0.8
87.00738	0.5
88.98664	0.9
93.03317	5.3
96.95875	1.1
99.00738	7.6
101.02292	0.4
109.02840	0.4
111.04364	3.4
112.98672	0.8
115.00261	1.3
118.57337	0.3
124.98682	0.6
129.01820	0.6
134.03615	2.5
135.02922	0.4
135.04427	0.5
136.04761	0.4
137.02330	0.9
142.99731	0.9
147.04405	0.4
155.03395	3.6
160.07585	0.4
161.02327	0.6
164.07071	24.6
165.07416	0.8
165.61989	0.3
173.04462	27.5
179.03282	0.3
188.04735	0.4
191.05544	1.6
193.05005	1.1
206.08170	100.0
206.15930	1.2
207.08472	3.7
247.05974	0.4
263.40274	1.1
263.42865	0.3
275.05713	0.4
293.10703	0.4
320.08746	0.4
380.13663	1.3
381.12411	1.4
381.16794	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1564
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
55.01764	0.4
55.10448	0.3
55.66933	1.3
55.67203	0.7
57.03296	0.3
57.18410	0.3
59.01243	16.3
59.64912	0.3
60.05297	0.3
61.98693	0.5
70.99706	0.4
71.01240	27.4
71.02967	0.4
71.04877	5.8
72.00756	0.5
73.02809	1.2
83.01249	0.9
85.02788	2.3
87.00733	0.7
88.03899	4.3
89.02293	8.5
89.46543	0.4
89.82728	0.4
93.03352	0.4
95.01232	0.8
96.95856	0.5
99.00748	1.0
99.04363	1.9
101.02301	7.2
102.38092	0.3
113.02311	4.1
116.03429	0.9
116.07037	1.2
119.03358	3.1
121.06409	0.6
122.94704	0.3
128.07057	2.4
129.05437	0.8
131.01601	0.4
146.08116	52.5
147.08466	1.0
156.92287	0.4
159.02924	0.5
161.04448	1.4
165.05530	0.5
173.04678	0.4
174.11276	0.5
186.07622	0.9
191.05757	0.5
197.66446	0.6
200.09274	1.2
218.10220	0.6
220.26028	0.6
263.11224	0.5
300.52319	0.4
308.13510	6.5
362.14719	1.3
380.15646	100.0
381.15994	6.3
385.20819	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00171	0.7
57.65802	0.5
59.01234	3.2
59.52765	0.5
67.60334	0.5
70.23745	0.6
71.01249	1.9
79.95591	17.3
80.96377	2.7
85.02781	0.7
87.00726	0.6
93.03315	28.4
94.03622	0.8
95.01268	0.9
95.95108	0.9
96.95869	94.4
99.04465	0.6
107.04885	2.7
108.99171	1.8
109.02834	1.1
110.07389	0.7
117.03334	1.4
121.02814	3.6
123.04428	1.1
125.02280	0.9
133.02835	3.3
135.04382	4.5
137.02332	1.8
151.03902	1.1
161.02348	0.7
163.03989	1.1
164.98204	12.2
173.06006	0.7
175.07545	2.1
177.01825	1.7
179.03392	4.0
182.99257	4.8
183.10175	1.3
189.01863	1.0
193.06384	0.8
197.05972	1.1
199.07611	7.1
203.00183	2.8
207.03012	1.8
209.06027	5.1
211.07581	3.7
227.07030	3.7
227.16978	0.6
229.01312	1.2
239.07170	2.4
243.06593	9.3
253.05054	2.3
255.06610	2.2
265.05087	0.9
271.06110	9.2
283.06134	8.4
301.07196	7.0
309.09842	4.5
381.02902	100.0
381.07913	5.6
382.02933	4.5
394.80954	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64222	0.2
57.03318	0.6
59.01245	4.7
61.98686	0.5
70.63407	0.3
71.01241	1.9
73.02798	0.7
73.03202	0.2
75.05087	0.2
79.74177	0.4
80.02526	0.5
81.03307	0.4
83.04892	0.3
85.02811	0.8
87.00717	0.6
89.02288	1.0
93.03314	4.7
95.01244	0.3
95.04892	0.8
96.95838	0.6
97.02805	0.3
99.00760	0.4
99.04389	0.4
101.02313	2.1
109.02818	3.6
111.04383	1.3
113.02310	0.6
117.52527	0.3
119.03354	0.5
121.02838	3.7
123.04382	1.4
124.01508	0.3
125.02305	0.4
135.04451	0.4
137.02356	2.9
138.03105	11.8
138.99521	1.3
139.03891	100.0
140.04260	2.5
143.03352	0.3
151.03938	0.4
151.22685	0.3
153.01852	0.8
153.05472	2.3
161.04533	0.3
165.05557	0.4
168.04189	7.4
181.04880	0.5
181.74579	0.3
183.06548	18.0
193.01320	0.9
201.11243	0.7
219.12386	0.4
301.09305	57.8
302.09659	2.7
338.49539	0.5
345.08237	4.0
345.12000	5.6
363.16684	0.7
381.17657	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20676	0.9
52.93299	0.8
53.00186	3.2
55.02624	0.7
55.08681	1.1
59.01250	3.3
59.84966	0.7
59.97665	0.7
61.15778	0.8
63.30582	0.7
65.00188	3.0
65.22860	0.9
67.01735	1.6
68.99676	1.2
69.03320	0.8
70.58729	0.9
71.01238	2.8
80.99690	1.8
83.01246	2.2
85.00564	1.0
85.02803	1.1
89.02264	1.0
91.72636	1.2
95.01243	2.5
97.02818	1.1
99.00724	1.1
108.99176	19.8
109.02808	2.6
109.99951	1.9
111.00749	2.3
113.02328	1.4
115.00268	1.1
121.02814	1.8
123.00748	2.4
134.03598	1.3
137.02325	1.4
139.00273	3.5
142.74333	0.9
145.02870	3.5
146.03622	2.9
147.04395	2.0
149.09636	1.6
153.01819	1.1
161.02339	1.2
162.03166	2.2
163.11139	1.9
164.98195	100.0
165.98813	4.1
166.02620	2.9
166.99780	3.8
173.09625	3.6
174.03120	2.9
175.11229	3.2
177.01883	1.3
181.04933	1.5
182.29544	1.0
182.99266	37.4
185.09557	1.4
186.06793	2.8
190.02715	1.3
191.10658	2.2
192.97742	3.0
193.96513	0.8
193.98508	5.1
201.09111	5.4
203.10742	2.6
217.08743	1.1
218.02187	1.2
219.10187	2.0
223.09608	1.6
229.08687	2.5
245.08337	1.7
247.09744	3.6
263.09225	2.0
275.09546	1.6
291.08792	1.6
293.08151	1.5
307.08295	2.9
309.09808	43.2
310.10211	2.7
337.07120	2.0
345.06067	1.7
352.74136	1.2
363.07162	2.6
381.03235	1.3
381.08264	41.1
382.08548	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	381.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06196	0.4
59.01012	0.4
59.01242	5.3
61.98686	1.3
71.01237	2.3
75.44524	0.5
85.02795	0.9
89.02284	2.0
93.03297	0.9
96.95861	2.1
99.00712	0.6
101.02298	1.5
109.02808	1.2
113.02287	0.8
119.03398	0.6
123.04396	5.5
125.02289	1.5
137.02324	1.3
138.03099	21.2
139.03918	6.3
153.01813	1.1
153.05472	12.0
161.04399	0.8
168.04182	42.2
168.33130	0.5
169.04541	1.1
183.06543	100.0
184.06927	4.0
193.01329	2.1
201.11258	1.1
219.12347	0.8
275.81226	0.5
276.83551	0.6
301.09164	3.3
302.09564	0.6
345.11920	33.6
346.12375	2.1
380.15802	0.6
381.17715	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	381.1344
Annotation	Alisiaquinone B
Peak:m/z	Relative Intensity
55.36390	0.5
59.01247	4.1
63.45322	0.5
63.91514	0.5
65.16603	0.5
67.01703	0.7
69.03291	0.8
79.43217	0.5
85.91430	0.6
91.15073	0.5
93.03329	0.9
96.95869	9.5
107.04891	2.8
108.02028	3.7
109.02813	8.7
121.02827	0.9
121.06504	1.2
123.04440	0.8
124.01531	1.0
125.33333	0.6
133.06461	1.4
135.04347	0.7
145.02740	0.7
145.06494	1.6
147.04408	1.7
147.08028	1.6
149.05956	2.3
151.07539	0.6
152.01021	2.3
157.06400	1.0
157.70700	0.6
158.03625	0.9
159.04382	1.7
161.02405	0.8
161.05922	1.3
162.03191	0.6
162.66644	0.6
172.05214	2.8
173.05963	6.7
174.03242	0.8
174.99200	1.0
175.03889	0.9
175.07591	6.2
176.01076	1.1
177.09161	0.8
185.05989	3.4
186.06799	4.3
187.04041	1.0
187.07497	1.5
188.04753	3.1
189.01904	4.3
191.03552	0.9
199.07555	1.6
200.08374	0.8
201.09167	1.6
202.02745	0.7
203.03465	2.9
204.04269	3.1
205.05032	1.7
211.03992	0.6
211.07619	1.1
213.05487	1.4
214.06300	0.9
215.03531	1.3
217.00215	4.9
217.12267	2.2
225.09248	0.7
226.06317	0.7
227.07173	4.4
227.10703	1.4
228.07874	1.2
229.08621	4.5
237.09192	1.6
239.07159	1.0
240.07979	0.7
241.04921	0.9
251.07072	0.7
255.10265	2.8
265.08676	11.5
265.11221	1.0
266.09442	1.2
269.04523	0.9
270.57556	0.6
273.07626	1.1
281.08170	0.9
291.06641	2.1
293.08209	2.6
294.09039	7.0
295.13153	1.0
309.07712	4.1
309.15009	0.8
310.07916	0.9
337.07108	0.8
337.14438	8.2
338.07913	2.7
338.14746	1.1
381.13461	100.0
382.13873	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	381.1346
Annotation	Glycyrin
Peak:m/z	Relative Intensity
53.80170	0.3
54.12734	0.3
58.70339	0.6
59.01244	2.9
60.42279	0.3
65.00158	0.4
67.46421	0.8
67.46741	0.5
75.70133	0.3
89.53040	0.3
91.01760	2.7
92.02529	0.4
93.03315	5.1
95.01237	0.8
97.64014	0.3
98.82326	0.3
99.08009	0.5
100.77789	0.3
107.04844	0.5
108.02030	12.9
109.02816	32.7
110.03136	0.8
111.00750	0.8
119.04884	0.9
123.00748	0.5
124.01534	0.8
131.04900	1.6
132.05664	0.8
133.06435	0.9
135.00685	0.5
135.04388	2.1
136.01549	1.3
137.02312	1.3
144.05659	1.4
145.02705	0.4
146.07220	1.3
151.99916	0.5
152.01048	6.6
153.01854	1.7
157.06479	8.8
157.07771	0.5
159.04413	34.1
160.04915	1.3
161.05975	3.0
171.04398	1.5
172.05258	0.9
174.99174	0.8
185.05986	3.3
186.06735	1.5
192.04239	0.4
193.06497	0.7
194.07303	2.1
197.06017	0.8
199.11205	0.6
200.04720	0.9
201.05508	58.9
201.09122	3.6
202.05832	1.8
207.08142	3.2
209.06033	2.2
210.06790	2.9
215.10735	1.2
216.11499	0.7
217.00273	3.4
217.12296	10.2
222.06815	0.4
223.07588	1.2
225.09181	1.2
229.12297	12.9
235.07542	0.6
236.08389	0.9
237.05557	1.2
238.06358	4.3
241.05069	0.5
243.10255	3.8
244.11035	16.2
245.11783	9.7
246.12021	0.4
249.09073	0.4
251.07179	1.2
252.07858	0.7
253.08591	0.6
279.06631	1.0
293.15491	0.8
307.57642	0.4
309.14981	1.5
337.14481	31.1
338.14911	2.1
353.14322	0.6
363.12390	3.6
381.13452	100.0
382.13779	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00441	0.9
59.01239	13.7
61.98676	1.2
71.01260	1.1
72.99158	4.4
73.02802	3.3
75.00713	0.9
78.95773	0.9
84.68085	1.0
85.02814	1.2
87.04366	7.8
90.86450	0.9
93.03329	1.6
96.96796	1.0
97.02804	1.6
99.04383	3.7
101.02275	0.9
104.39570	0.9
107.04866	0.9
110.55943	1.0
111.04349	1.9
113.02280	1.1
113.05972	1.2
115.03860	3.1
118.04099	1.3
118.79361	1.0
121.02790	1.4
125.02306	3.9
127.23458	1.0
136.05153	2.1
137.02234	1.4
145.08521	1.0
149.05957	1.0
149.09630	1.1
151.07489	1.3
153.01747	1.0
159.04437	1.6
163.11183	19.4
165.12743	34.5
165.14133	1.8
166.13071	1.2
173.00603	0.8
173.04482	1.8
174.06717	1.7
175.11159	12.8
177.12770	3.1
179.10724	1.3
181.12251	3.8
191.10706	1.1
193.12256	9.7
203.10709	1.4
203.14317	1.1
207.10159	2.2
209.11777	13.1
217.15938	3.0
219.10240	4.7
221.11842	8.0
221.15396	8.2
231.13867	3.5
233.15485	4.9
237.11331	5.4
245.15512	3.1
257.15460	1.4
261.14816	1.6
263.16504	1.8
265.10815	26.8
265.14243	1.8
283.24194	1.0
289.14459	2.1
307.15491	2.7
319.15442	3.3
323.14975	1.1
325.16559	100.0
326.16998	7.3
335.14987	1.6
335.18710	3.4
343.11835	1.2
353.16058	74.1
354.16290	3.9
363.18130	2.2
381.15298	5.0
381.19495	12.6
382.18744	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	381.2439
Annotation	Precyclocitrinol B
Peak:m/z	Relative Intensity
84.34597	1.2
89.42455	1.1
92.02551	1.3
93.03294	3.2
96.95875	2.9
106.04084	5.9
107.04887	20.2
108.02009	1.8
119.04881	7.6
121.02815	15.7
138.79971	1.2
157.39236	1.1
175.11223	4.8
184.06821	1.0
322.57993	1.3
335.23712	1.6
337.25406	27.5
337.36597	1.9
338.25702	2.5
358.46796	1.3
381.24362	100.0
382.24515	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	381.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98907	2.0
59.01247	6.0
69.03332	2.1
70.67223	2.2
71.01247	2.8
71.04890	3.0
71.11033	2.1
73.02812	3.3
76.08810	2.1
79.95605	3.3
80.02541	3.7
81.02921	2.7
81.03300	12.0
81.57356	2.5
84.02061	9.5
91.73347	3.1
96.95868	35.9
96.96396	3.0
98.03590	18.0
99.04383	14.8
101.12144	2.4
108.02045	25.5
121.42908	2.6
122.03630	2.7
126.03148	6.9
161.59622	2.7
194.68771	2.7
265.25433	9.7
284.39948	3.2
291.26974	23.9
293.25027	4.8
295.26398	21.5
309.28027	100.0
310.28738	4.0
319.26480	20.2
337.27460	50.3
338.28131	4.5
363.25757	3.3
381.23193	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.1
57.03316	25.2
57.04437	0.4
59.01234	1.3
64.90515	0.3
71.01253	1.9
72.99159	0.9
73.02803	20.0
73.04433	0.3
75.00733	0.5
78.05891	0.3
78.07998	0.3
79.95578	1.5
80.96377	0.6
83.01239	42.5
83.03225	0.7
83.97500	0.3
84.01580	0.3
85.06083	0.3
87.00726	2.5
88.99293	0.4
93.03314	54.5
93.05675	0.8
94.03651	1.2
94.97990	0.4
96.95868	64.3
96.98373	0.9
99.00732	11.7
101.02296	3.8
112.98723	0.4
113.53129	0.3
117.01800	0.3
117.48918	0.3
122.97463	1.2
125.99454	0.5
127.00240	100.0
127.04002	1.3
128.00606	1.2
133.29509	0.3
134.03613	1.5
135.04378	0.7
137.02319	47.5
138.02684	1.2
144.35222	0.3
147.04408	1.1
151.00244	2.3
151.03906	0.4
151.93877	0.3
153.05542	0.4
159.04417	0.3
163.88486	0.3
165.05463	0.9
170.99159	0.5
179.03409	0.6
180.04196	3.8
181.04982	0.6
189.00328	55.7
190.00710	1.0
193.01431	0.7
193.05020	0.9
203.03511	1.0
245.01248	3.9
263.41666	0.4
279.05023	0.4
283.85742	0.3
293.14197	0.5
309.13531	3.7
383.04456	19.0
383.13458	5.7
384.04761	1.1
384.12863	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00179	2.0
54.18090	0.9
55.01749	1.1
57.03311	3.3
59.00997	1.0
59.01252	8.4
67.32832	1.1
68.99677	2.7
71.01241	56.0
72.99177	7.4
73.02801	7.7
76.98495	1.0
78.95763	12.6
79.75537	0.9
80.99688	2.4
81.03325	1.3
81.56914	0.9
83.01244	8.5
85.02805	1.3
87.00727	3.8
93.03315	3.7
94.21902	1.1
96.95862	3.2
96.96815	10.3
96.99168	2.0
97.99960	2.1
98.98184	1.7
99.00742	100.0
100.01101	1.5
101.02319	2.4
103.00219	4.3
107.28652	1.1
109.02801	3.1
111.00749	1.4
111.02599	1.7
111.04401	1.0
112.98661	7.6
113.02306	3.1
114.99436	1.9
115.00241	25.7
117.03374	1.5
117.09635	1.4
119.04894	19.0
121.02829	1.4
124.98669	9.6
127.00247	21.3
129.01828	3.6
131.03369	23.6
135.04398	4.4
137.02350	2.5
139.00325	1.6
142.99765	9.3
143.04988	1.6
147.02834	1.6
149.02370	1.4
153.01849	2.7
157.01375	1.3
161.09186	1.9
163.03922	16.1
168.97726	1.8
171.04468	2.0
173.05991	4.1
175.03900	1.8
179.03448	5.5
186.98799	5.0
189.00363	10.2
189.05473	1.5
201.05540	7.4
204.99809	2.1
217.05038	4.6
219.01358	5.4
219.06560	1.6
219.61490	1.1
245.04558	6.2
250.10789	1.3
261.04095	12.4
289.03537	6.0
309.05966	1.7
311.01947	1.4
323.09964	3.4
351.03781	6.3
383.10931	2.3
406.24359	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25434	0.8
53.00180	2.5
53.01458	0.8
59.01253	5.7
68.99689	1.5
70.70996	0.8
71.01240	47.2
72.99178	5.4
73.02792	4.2
73.36586	0.9
78.95758	3.4
80.99667	3.4
82.25748	0.9
83.01260	1.7
87.00740	2.1
89.02284	1.5
93.03323	2.4
96.96817	4.5
96.99150	1.6
97.99948	3.8
98.98333	1.6
99.00738	100.0
99.03419	1.2
100.01068	2.2
101.02295	1.1
103.00222	6.2
109.02856	1.6
110.74086	1.0
111.00764	2.1
112.98666	6.1
113.02309	3.2
114.99439	1.5
115.00236	23.0
119.04886	17.3
124.98703	7.5
127.00242	4.2
129.01781	1.9
131.03371	32.0
132.03659	1.3
135.04358	1.3
135.69139	1.1
138.98685	1.6
142.99718	8.4
143.04898	2.3
145.06519	1.3
147.02872	1.3
147.04424	1.3
157.01385	1.8
163.03912	16.5
171.04384	1.8
173.00766	2.4
173.04579	1.8
173.06001	4.3
179.03467	2.0
186.98750	5.2
189.00330	2.9
193.05936	1.1
201.05484	6.6
217.05052	4.7
219.01395	7.3
221.08224	1.0
245.04584	7.5
261.03992	10.9
266.74866	1.2
289.03525	6.7
351.03610	5.6
387.28683	1.2
394.33871	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0774
Annotation	Nidurufin
Peak:m/z	Relative Intensity
59.01236	2.9
69.03333	0.6
71.01235	1.2
72.99157	0.9
73.02815	0.6
83.01215	0.5
85.02783	0.7
87.00730	1.3
89.02277	1.0
91.72765	0.6
93.86151	0.8
93.86662	0.7
97.02807	0.8
97.73482	0.3
101.02279	0.7
113.02272	2.1
119.03325	0.3
120.99463	0.5
125.02315	3.2
130.98866	0.4
131.90915	0.3
139.36603	0.4
155.47932	0.3
161.04398	0.5
185.02386	0.5
186.03116	0.5
199.03917	0.9
199.07648	0.4
200.04733	1.0
211.03972	0.9
213.01872	3.3
214.02599	0.5
215.03387	0.6
222.13953	0.4
223.04123	0.5
224.04848	0.9
225.05496	0.5
227.03455	4.5
228.04333	2.0
229.01396	0.5
237.05547	0.6
239.03462	0.5
239.07187	0.8
240.04196	0.5
240.08160	0.4
241.01416	2.4
241.05089	0.5
241.12456	0.4
242.02191	1.1
243.02954	0.9
251.03487	1.6
251.07079	0.5
252.04231	0.5
253.05161	1.0
255.02951	0.6
256.03763	11.0
257.04263	0.6
265.05008	2.1
266.05649	0.5
267.02979	0.9
267.06686	1.8
268.03635	0.5
268.07596	0.4
269.04565	2.7
270.05182	0.6
271.02530	3.4
279.03137	0.4
280.03864	1.3
281.04459	0.9
285.04080	1.0
288.02820	2.5
291.02963	0.6
294.05392	0.5
295.06067	2.3
296.03375	0.4
296.06781	0.6
297.03848	2.5
298.04843	8.0
299.04980	0.5
311.05737	0.7
323.05667	1.2
323.09842	2.0
324.06131	0.5
339.05014	0.7
340.05957	3.1
368.05386	29.3
369.05603	1.6
383.07739	100.0
384.08075	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	383.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73180	0.1
52.57504	0.1
57.03314	0.1
59.01241	1.9
66.77234	0.1
67.01749	0.3
68.68357	0.1
69.04198	0.1
71.01243	0.8
73.02798	0.4
74.70978	0.1
75.89099	0.1
81.03298	0.3
83.04861	0.3
85.00797	0.2
85.02803	7.7
87.00730	1.5
89.02278	0.4
93.03320	3.0
94.94411	0.1
96.95828	0.2
97.02850	0.2
99.00739	0.2
99.04354	0.4
101.02288	0.4
109.02827	0.7
111.00733	0.3
111.04374	1.1
113.02303	0.4
116.65788	0.2
119.03349	0.6
127.03882	1.8
134.95222	0.1
137.02313	0.2
171.02855	0.6
173.04471	1.3
185.80547	0.1
190.98778	1.1
191.05533	100.0
191.13292	0.7
192.05876	2.9
208.93350	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	383.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43142	0.2
59.00067	1.7
59.01242	100.0
59.02543	1.4
60.01576	0.7
61.98690	0.6
63.14955	0.3
71.01250	0.4
75.36443	0.2
89.02319	0.5
97.02818	0.3
101.02319	0.6
108.02119	0.3
113.02328	0.8
125.02320	0.7
147.04460	0.3
161.04466	0.3
175.94264	2.2
183.15881	0.3
190.96669	0.6
205.05177	0.3
228.00725	0.3
251.07277	0.4
265.05148	0.6
277.05182	0.4
279.06567	0.3
280.07498	0.5
293.04709	0.4
323.10001	1.0
325.07419	0.5
341.10962	0.4
353.06415	0.4
365.13876	2.5
368.08957	1.6
381.41202	0.3
383.07684	0.6
383.11392	1.6
383.15503	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64092	0.7
50.90708	0.3
51.61356	0.4
53.69181	0.4
57.03307	1.3
59.01236	2.0
62.17314	0.4
66.84165	0.4
67.01787	0.4
69.03315	18.7
71.01241	1.6
71.01614	0.4
72.10151	0.4
72.99169	12.9
73.02814	3.5
75.00719	0.8
81.03313	0.8
83.04904	0.8
85.02809	3.7
87.00705	0.6
87.04373	1.4
91.73418	1.3
93.03316	0.5
95.70760	0.4
97.02811	22.9
98.03130	0.4
99.04380	1.5
101.02288	1.2
108.02026	0.5
109.02814	0.8
113.02311	34.0
114.02644	0.6
114.40337	0.5
121.02895	0.9
121.10078	0.6
124.98550	1.3
125.02316	100.0
126.02666	2.0
129.01811	2.0
130.45551	0.5
134.03622	0.6
135.04391	0.6
137.06029	0.8
138.03110	0.6
138.88641	0.5
141.01817	1.8
143.03378	3.8
145.02820	0.8
147.04413	1.8
149.06004	0.6
149.09615	1.6
156.05765	0.7
159.04457	0.7
160.05223	0.9
163.03915	1.2
163.11243	0.6
164.04649	0.5
167.10678	0.7
173.02312	0.8
173.05989	1.5
174.06726	0.9
175.07599	0.9
177.05495	0.9
177.09113	6.3
179.10817	0.8
184.05305	1.0
187.03951	1.5
188.04729	1.9
189.12703	0.7
190.02637	0.9
191.03473	1.5
191.10698	4.0
193.08643	0.9
195.10184	3.0
201.05504	1.0
202.06277	2.4
203.10672	0.8
203.14407	1.0
213.12872	1.7
215.14417	1.6
217.12285	0.7
219.10233	1.5
220.03795	0.6
220.07388	0.8
229.12292	1.0
230.09509	2.3
231.13898	3.8
235.02457	0.7
241.12329	5.5
247.09799	1.8
247.13503	0.6
248.10568	1.5
249.14949	1.1
257.11816	0.8
259.13403	11.4
260.13843	0.7
263.12958	0.7
275.12906	1.1
277.14426	6.6
278.14999	0.6
279.12479	0.7
281.13907	2.0
292.09796	0.7
302.60629	0.6
303.12485	4.8
303.15820	0.9
321.13437	5.2
323.09885	1.3
339.14642	0.6
340.47812	0.6
365.12424	9.1
366.12604	0.9
383.13544	26.1
384.13922	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	383.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	6.8
59.01233	6.1
61.04454	1.4
67.01724	2.0
69.03311	11.9
71.01246	4.3
71.04858	4.8
72.99163	28.5
73.02802	28.7
75.00724	3.4
78.67143	1.6
81.03329	2.7
83.04885	4.0
85.02816	22.6
87.00735	12.0
87.04368	21.0
93.03333	4.8
95.17802	1.9
97.02816	20.0
97.95321	2.1
99.04377	13.4
99.08018	8.3
101.02291	6.6
106.04110	7.9
107.04913	2.5
108.02068	4.2
109.02821	5.6
111.04337	2.2
113.02309	49.7
115.03863	4.9
119.04871	2.8
121.02822	8.1
121.06457	3.4
121.10085	4.5
122.03577	2.2
125.02309	37.2
125.09715	2.4
131.03320	2.3
134.03609	15.2
135.04422	9.4
136.01553	4.5
137.02338	4.0
137.05978	7.9
137.09584	3.4
138.03139	3.8
139.03885	6.9
140.04680	4.2
141.01830	8.6
143.03384	62.6
145.02844	2.6
146.03627	2.2
147.04422	7.0
148.05193	2.9
149.02310	2.3
149.05942	11.7
149.09581	10.4
150.03130	2.5
151.11180	3.5
154.85408	2.4
158.07240	3.1
161.02328	2.5
162.03177	3.8
163.03906	5.6
163.11157	11.9
165.01912	2.1
165.05463	9.1
165.09085	4.7
167.10709	4.6
172.05267	3.9
173.02332	5.7
173.06023	5.8
173.09723	2.0
174.06786	7.6
175.03957	2.2
175.07568	2.1
177.05487	8.8
177.09114	36.3
178.99571	1.8
179.03496	5.6
179.10713	10.6
180.04169	2.4
184.05321	3.2
185.06100	2.2
187.03957	4.8
188.04720	3.0
189.12756	4.8
190.02716	5.2
190.06372	2.1
191.03481	10.3
191.10701	45.4
193.05084	3.0
193.08656	3.0
193.12256	2.1
195.10196	7.2
197.11829	3.7
198.52692	2.4
201.05559	3.4
201.12801	2.6
202.06279	10.6
203.10690	3.2
203.14354	6.1
207.10170	3.2
209.04424	4.8
209.12018	2.7
213.12753	10.7
215.10777	2.4
215.14415	6.3
217.12360	4.2
219.10233	8.0
219.14040	2.4
220.10884	3.6
223.09703	5.1
229.12245	3.5
230.09468	8.3
231.13857	24.7
233.15466	2.9
241.12271	14.0
247.09740	13.9
247.13496	6.1
248.10623	8.8
248.68159	2.0
249.15021	6.5
251.12871	3.6
259.13367	52.1
263.12723	2.6
267.06534	2.6
275.12936	8.1
277.14471	22.0
279.12479	7.8
281.13940	4.6
293.13989	6.2
295.15552	3.7
303.12399	11.4
321.13452	100.0
322.13763	5.7
323.10553	2.4
332.93701	2.3
337.13071	4.5
339.05194	5.7
365.12338	20.4
383.13531	82.8
384.13699	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	383.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57853	0.3
57.03312	1.1
57.14491	0.2
59.01245	2.9
59.33944	0.3
60.66044	0.2
60.99173	0.7
67.01743	3.4
69.03311	4.8
71.01242	3.2
72.99195	0.3
73.02812	1.0
79.78794	0.3
79.95580	0.4
80.96397	0.3
81.03326	0.9
83.01238	0.4
83.04888	1.1
85.02808	1.5
87.00758	0.8
89.02304	0.7
91.73322	0.7
93.03317	23.9
94.03671	0.7
95.39669	0.3
96.95879	6.4
97.02811	30.8
99.00754	0.7
99.04383	0.3
101.02323	0.6
108.02039	1.2
109.02817	35.6
109.05920	0.5
110.03161	0.8
111.00748	0.7
111.04377	4.2
113.02301	0.8
124.96129	0.3
125.02346	0.5
127.03883	0.5
129.01842	0.4
135.04405	0.4
137.02335	4.0
149.02380	0.4
152.01118	0.4
153.01826	45.3
154.02180	1.0
155.03386	3.9
159.02888	0.3
165.09135	2.0
173.04463	100.0
173.10748	1.0
174.04846	2.4
174.66078	0.3
187.27977	0.3
191.05527	5.4
208.95259	0.3
209.08112	4.3
229.01701	0.9
323.09869	0.8
339.01358	0.7
339.05072	0.6
383.00104	0.6
383.04428	3.5
383.13339	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	383.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	3.0
67.01743	0.4
69.02951	0.7
69.03314	11.1
69.03688	0.7
71.01257	2.0
73.02797	2.7
75.16321	0.4
82.04861	0.3
83.04889	1.1
85.02808	2.9
87.00699	0.7
88.75362	0.4
89.02286	0.7
91.73278	0.6
93.03300	2.5
96.95894	0.4
97.00359	1.4
97.02809	100.0
97.05574	0.7
98.03132	1.4
99.00753	2.0
101.02317	0.8
109.02819	0.5
109.45519	0.4
111.04365	3.1
113.02291	1.0
119.04851	0.5
127.00268	0.7
127.03887	0.7
137.02335	0.7
155.03455	1.9
163.07536	1.0
165.09109	9.6
167.03552	0.5
173.04460	7.8
191.05534	20.5
203.94441	0.5
209.08133	20.2
210.08514	0.8
323.09918	1.3
383.13687	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	383.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04063	8.2
59.01238	92.9
71.01234	66.0
73.02819	26.5
75.13084	10.1
76.10947	9.3
83.01267	14.9
85.02835	32.5
86.19007	10.0
89.02312	15.1
96.95889	100.0
97.22986	8.3
99.00754	27.4
101.02341	43.6
108.02078	25.0
109.02816	16.5
113.02381	20.1
123.04479	18.1
125.76246	13.0
126.72352	12.5
152.01050	54.9
158.06033	19.2
159.06444	14.2
167.03436	58.8
177.01874	13.0
177.05640	18.2
203.40759	11.5
204.99855	15.5
221.85094	13.0
258.11050	10.6
276.42682	12.1
280.76166	11.2
302.05734	31.5
323.10132	34.4
383.07092	40.7
383.14944	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1502
Annotation	Taxusabietane C
Peak:m/z	Relative Intensity
52.40244	1.2
57.03314	1.6
59.01240	21.7
59.47461	1.2
60.56910	1.2
61.98666	1.7
71.01237	3.4
85.02825	2.4
89.02287	2.0
97.02813	1.7
99.07996	1.6
101.02254	1.7
107.68237	1.5
108.02045	7.3
109.02848	5.4
111.00771	2.6
113.02323	4.3
121.02825	4.2
122.03613	2.5
123.04385	9.5
124.01618	1.8
125.02319	3.1
125.47952	1.3
131.04922	3.2
133.06506	3.1
136.01547	5.7
145.02797	2.1
146.03609	1.9
148.05249	2.0
149.05922	2.5
151.00308	2.1
152.01085	5.8
159.04408	5.2
160.05165	8.8
161.04460	1.8
161.05940	3.0
163.00275	3.9
171.04489	1.8
173.06026	2.0
178.99786	6.0
187.03955	1.7
189.05551	2.9
199.11208	2.5
214.06294	3.4
216.04358	1.8
217.12311	10.4
227.07126	8.6
237.09442	2.1
239.07092	2.3
253.08664	3.3
255.10120	1.9
257.11758	8.6
265.05084	4.1
267.10220	4.3
293.04715	2.0
295.09723	1.8
296.10474	8.9
321.14987	14.0
323.09958	5.7
325.07330	4.1
339.16061	21.0
353.06616	2.9
359.36267	1.8
368.09131	11.0
383.11615	6.1
383.15109	100.0
384.15433	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	383.1503
Annotation	Taxusabietane C
Peak:m/z	Relative Intensity
57.03292	0.8
59.00020	0.5
59.00972	1.0
59.01244	11.4
61.41446	0.4
67.01417	0.8
67.01749	9.2
69.03340	0.6
71.01237	1.0
73.02809	0.6
77.35550	0.6
81.03300	0.7
87.00719	0.6
87.52359	1.2
87.52852	0.8
87.59078	0.6
89.02312	1.2
90.03620	0.6
93.03309	3.0
95.02486	0.5
97.02795	0.8
99.08015	1.1
101.02333	0.6
107.04920	1.4
107.99090	0.5
108.02031	21.8
109.02818	17.5
113.02326	1.1
119.04898	2.5
121.02820	9.7
122.03604	1.6
123.00748	0.9
124.01603	0.7
125.02303	1.7
131.04895	1.0
132.05742	1.3
133.02818	1.3
133.06467	17.0
134.06937	0.6
135.04390	2.3
136.01512	3.1
144.05711	1.4
145.06488	1.0
147.04446	0.9
147.08047	5.3
149.02319	0.6
151.00230	1.5
152.01057	1.2
153.01773	1.0
157.08540	0.6
159.04439	1.0
160.05215	1.1
161.02306	0.9
161.05946	0.9
164.00974	0.6
165.01817	3.6
170.07310	0.8
173.02356	0.6
173.05977	19.9
174.06380	0.8
176.01030	1.1
177.01880	0.8
178.99707	2.6
184.08907	0.9
188.04736	0.5
189.01846	1.9
193.06612	0.6
199.11238	3.1
209.09755	0.9
211.07623	1.4
212.08376	0.7
213.12788	1.0
217.12305	8.6
219.10162	1.4
222.06763	3.1
223.07668	1.0
224.04788	0.9
225.05713	0.8
227.10718	1.2
229.12358	1.2
231.10275	0.9
231.13860	6.8
237.09285	3.7
238.06288	1.0
239.07117	10.1
240.07764	1.9
241.04987	0.7
251.07132	0.9
253.08667	4.4
255.10254	20.8
256.10843	0.8
263.07251	1.2
264.07840	1.3
265.05017	1.6
266.09515	2.4
267.06808	1.0
278.09445	4.8
279.10156	0.7
281.08240	1.1
283.06223	2.3
284.06888	1.3
292.07361	0.6
293.04691	1.2
293.08038	0.6
296.10553	0.6
297.07779	0.8
298.08679	1.1
299.09354	1.4
303.14081	0.7
306.12881	1.2
310.08524	0.6
321.14972	40.2
322.15250	2.2
323.09750	2.4
325.07303	1.1
337.14465	1.0
339.16013	28.2
340.16348	1.5
341.10654	0.7
353.06644	0.9
365.13901	0.9
368.09161	2.9
383.15073	100.0
384.15411	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	383.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11965	1.0
57.03311	1.4
59.01243	15.1
62.46204	1.0
65.00169	1.2
67.01752	1.6
69.03294	2.0
69.58261	1.1
71.01218	2.5
71.98856	1.3
72.99142	1.9
73.02811	1.6
75.14165	1.2
75.20066	1.4
79.01746	1.9
81.03305	5.5
85.02801	1.3
89.02325	3.2
93.03314	3.5
95.01259	8.0
97.02820	2.9
101.02309	2.5
107.01249	3.2
107.04877	6.2
108.02032	20.5
109.02817	48.5
113.02311	3.1
123.00740	3.8
125.02305	9.4
127.07623	1.5
134.21745	1.5
137.02318	4.3
139.07527	2.3
147.08119	2.3
149.09616	1.3
151.00256	3.0
175.07617	1.8
182.50636	1.4
200.02293	4.8
201.02583	2.0
229.12289	3.6
255.16060	5.0
257.02521	1.5
301.10825	2.1
323.09900	7.0
338.15634	1.5
339.16080	30.4
341.11185	1.6
347.22507	2.3
383.15021	100.0
384.15186	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	383.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62204	1.1
59.00981	1.1
59.01245	17.3
62.59182	1.0
67.01746	2.5
69.03300	2.2
71.01237	4.4
80.02539	1.7
81.03313	11.8
81.38789	1.0
82.00411	1.1
85.02813	2.0
89.02283	3.4
91.01743	1.6
93.03305	4.4
95.01246	4.3
97.08896	1.2
99.32482	1.1
101.02307	3.3
107.01248	3.6
108.02034	36.5
109.02816	57.3
113.02312	5.0
121.02832	1.6
123.00731	4.3
123.07977	1.3
125.02308	14.5
136.01523	2.1
137.02303	1.6
137.09615	2.2
139.07552	2.2
141.09114	2.1
151.00266	22.1
152.01041	100.0
153.01828	47.0
154.02174	1.3
161.04434	3.4
165.09108	19.5
179.05470	1.4
191.05605	1.4
197.05963	5.9
233.06656	1.5
241.05038	16.8
301.10684	2.3
323.09824	12.1
355.15436	2.6
383.15009	75.9
384.15427	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	383.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02066	0.1
51.02272	0.5
54.05671	0.1
54.28469	0.1
56.49361	0.1
56.98855	0.1
59.01241	1.0
61.98665	0.1
65.00183	0.3
65.99709	6.4
67.00068	0.2
67.01749	5.1
68.99667	1.7
69.00000	0.2
69.03312	2.6
71.01228	0.6
71.14445	0.1
72.99168	0.2
79.01748	3.3
80.02527	0.2
81.01521	0.3
81.03313	27.1
81.05343	0.4
82.03608	0.1
83.01221	0.2
89.02287	0.2
93.03284	0.2
95.01242	11.7
95.03799	0.2
96.01559	0.2
97.02804	2.5
99.45037	0.1
107.01244	14.2
107.04277	0.2
108.02039	4.6
109.02818	2.9
113.02275	0.2
121.02822	2.3
123.00748	13.9
123.04436	0.2
125.02313	35.3
125.06216	0.5
126.02646	0.6
151.00256	100.0
151.05441	1.0
152.00746	2.5
153.01833	0.9
229.12289	0.2
323.09851	0.6
339.16000	1.0
348.76752	0.1
383.15039	13.5
384.15259	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02258	0.5
55.35139	0.3
56.49398	0.3
63.70227	0.3
65.00176	0.6
65.99709	5.8
67.01742	2.9
68.32436	0.3
68.99673	0.6
69.03317	2.4
69.03621	0.5
72.46418	0.3
79.01746	2.9
81.03311	31.7
81.05150	0.5
82.03592	0.3
83.01236	0.4
95.00652	0.7
95.01237	9.7
97.02805	2.1
102.10154	0.3
106.98172	0.4
107.01244	31.1
107.04027	0.5
108.02084	2.8
109.02798	1.7
121.02818	1.5
123.00741	12.6
125.02309	28.5
141.23059	0.4
148.76886	0.4
150.95018	0.7
151.00253	100.0
151.04869	1.2
151.21919	0.4
152.00868	2.9
153.01808	2.5
186.00513	0.4
383.15042	9.4
384.15353	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02248	1.2
59.01241	6.9
65.99706	6.2
67.01746	5.8
68.99670	0.9
69.03310	3.2
71.01221	1.0
79.01736	3.7
80.02538	1.5
81.03311	32.6
85.02803	0.8
91.01749	1.2
93.03316	1.1
95.01237	17.0
97.02779	3.6
101.02316	1.6
107.01247	18.2
108.02033	23.5
108.99419	0.9
109.02811	79.2
110.03141	1.4
113.02264	2.3
119.03413	0.9
121.02814	3.3
123.00742	17.4
125.02309	46.2
136.01538	0.9
139.07521	1.8
151.00255	100.0
151.05402	1.6
152.01045	47.0
153.01822	89.1
161.04396	1.3
165.09085	1.9
165.28787	1.0
205.12331	1.2
231.13791	1.0
243.06500	1.6
247.13374	2.1
307.49487	1.0
311.16586	1.4
323.09796	3.5
339.15967	2.1
355.15506	2.7
362.56506	1.0
383.15015	57.2
384.15256	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	383.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09735	0.4
52.28782	0.3
54.24788	0.3
57.03299	0.5
58.69490	0.3
59.01238	1.5
67.73524	0.4
69.03308	0.8
71.01239	0.9
71.04872	0.5
72.97363	1.4
72.99165	100.0
73.00747	1.7
73.02781	0.8
73.99502	0.7
97.02807	1.9
99.04382	1.6
101.05949	1.5
103.03875	1.9
109.02810	1.0
111.04417	0.9
113.02298	1.1
123.04366	1.0
125.02284	2.2
125.09599	0.7
133.06519	0.8
135.04417	0.6
149.02321	0.5
153.09067	0.5
161.13254	2.3
163.11218	0.6
167.07022	0.6
173.13293	1.4
179.14296	2.9
189.12837	1.0
191.10721	0.9
191.14333	12.3
192.14690	0.5
202.02649	0.5
202.09972	2.0
205.12282	1.2
207.10207	9.7
208.10477	0.5
217.12357	2.3
223.13377	2.8
228.07866	0.6
235.13364	5.6
259.13538	0.7
259.17084	2.5
260.96039	0.5
277.18115	2.4
279.12451	2.7
285.15027	1.6
291.15988	4.0
297.13593	1.0
303.16016	5.1
309.17078	9.7
310.17322	1.0
321.17084	6.4
323.09882	0.7
347.15070	7.2
348.15497	0.6
365.16077	9.0
367.14026	0.9
383.04114	1.0
383.17245	2.6
383.64178	0.6
407.90274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.223
Annotation	Gerronemin B
Peak:m/z	Relative Intensity
59.01244	4.9
65.03807	0.5
71.01232	1.1
71.04877	13.7
73.02773	0.4
79.34675	0.5
85.02821	0.7
89.02296	0.9
92.02539	0.7
93.03321	2.0
93.22853	0.3
95.01228	0.6
97.06443	3.7
101.02297	0.8
106.04105	3.0
107.04892	6.0
108.02031	1.7
113.02319	1.2
113.89230	0.3
119.04887	11.7
121.02822	12.9
121.06428	0.8
122.03606	0.6
123.04353	0.4
133.06474	2.8
134.03624	1.0
135.04378	0.7
135.11667	0.5
147.08008	0.6
161.04468	0.8
161.09631	0.7
170.65858	0.4
175.11269	0.4
177.12715	0.4
189.12790	1.1
191.10652	2.1
201.12837	0.4
203.14430	1.1
204.61305	0.4
205.15871	0.5
215.14383	0.6
217.15935	0.8
219.13817	0.8
229.15976	6.5
231.17563	0.6
239.14493	0.9
241.15923	0.7
243.17532	12.8
244.17867	0.9
253.15921	0.9
255.17567	3.3
257.19116	0.5
267.17538	6.3
281.19095	3.9
283.20685	18.2
284.21075	0.8
321.22153	1.9
323.09723	3.2
325.18460	1.0
339.23306	11.7
340.23654	1.0
383.22302	100.0
384.22635	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	384.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34039	0.2
57.25103	0.2
59.01239	1.0
61.97520	1.4
61.98693	100.0
62.00051	1.6
63.27227	0.3
78.60179	0.2
80.71081	0.2
84.74477	0.3
84.95444	0.2
105.17455	0.3
113.09145	0.3
120.82611	0.3
125.99575	0.3
173.70760	0.3
189.90547	0.3
197.22714	0.3
202.39413	0.3
221.06068	1.2
242.87648	0.4
248.39958	0.3
249.05609	0.8
250.06351	7.1
251.06793	0.4
265.04919	0.4
266.05408	0.6
278.05835	5.4
283.06107	0.3
293.08209	2.4
294.05139	0.3
294.17227	0.3
298.08060	0.3
306.05331	3.9
321.07693	17.9
322.07965	1.3
325.07040	0.3
326.07394	0.8
354.06909	0.5
368.08902	0.6
369.09384	1.9
383.11411	0.9
384.11600	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42905	0.6
53.39287	0.6
55.01748	1.8
56.11852	1.5
57.03315	1.1
58.02823	0.9
59.00974	1.2
59.01243	15.3
60.01544	0.6
60.76380	0.7
71.01241	27.1
72.99183	0.8
73.02809	10.2
74.02328	18.5
75.00719	2.0
83.01224	5.7
85.02804	15.1
87.00737	1.2
89.02292	2.3
93.03294	4.1
94.03635	1.8
95.01231	2.2
96.95868	9.4
98.95412	1.0
99.00725	5.7
101.02304	24.2
109.02867	0.9
113.02306	12.0
124.19878	0.9
125.02282	1.5
128.89249	0.8
136.03897	1.6
137.02309	3.5
138.02654	2.0
139.50426	0.8
144.41563	0.8
147.04401	49.1
159.02901	3.0
161.04451	13.5
161.05777	1.0
164.07091	6.5
177.03947	1.4
178.08580	1.8
179.07147	1.1
206.08127	1.7
221.39487	0.9
222.07681	1.4
236.07686	13.0
242.02513	0.9
293.14111	1.2
294.14127	1.9
297.04166	2.1
341.02679	1.1
384.04840	2.6
384.13028	100.0
385.08679	1.4
385.13300	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	385.0204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25647	1.1
50.25851	0.3
53.89334	0.3
59.01255	0.4
59.85191	0.3
61.82045	0.3
67.01747	0.7
68.43039	0.7
68.43372	0.3
69.63203	0.3
71.01234	0.5
76.14057	0.3
99.00711	0.3
101.03834	1.0
104.02528	0.6
108.80278	0.5
109.02817	1.0
117.03345	0.6
120.02036	3.7
120.68347	0.3
129.48759	0.3
132.02049	0.5
144.02036	5.2
145.02834	67.4
145.07782	0.7
146.03163	2.1
147.00746	3.0
147.04419	0.9
151.05458	0.5
152.06183	1.1
153.01813	0.5
153.07002	2.1
160.01471	0.4
161.02338	0.5
165.07001	2.0
167.04941	1.5
169.06528	1.5
171.08151	0.6
174.04752	0.4
175.03940	0.9
177.01843	0.4
179.04970	0.7
180.05727	4.5
181.06537	4.5
182.03680	0.5
183.04350	0.4
185.02400	1.3
189.01793	2.2
191.04964	0.4
195.04416	3.3
196.05246	1.0
197.06015	17.3
198.06355	0.5
199.03842	0.4
207.04451	1.4
208.05228	4.9
209.06024	12.1
210.03198	0.9
211.03940	2.1
211.09784	0.3
212.04822	0.5
214.02780	0.4
215.07056	0.6
223.03918	2.2
224.04767	4.3
225.05530	9.9
227.03535	1.0
227.07130	0.5
235.04034	0.9
236.04756	3.1
239.03474	0.5
241.05080	0.9
251.03430	0.5
252.04367	2.7
253.05057	52.5
254.05394	2.2
255.03113	0.6
269.04648	0.9
271.06134	6.6
297.04047	100.0
297.18500	0.8
298.04398	4.4
298.96390	0.3
313.03592	0.5
341.03067	7.9
341.06934	0.7
342.03525	0.7
385.02023	3.2
385.15405	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27089	0.8
51.14696	0.8
54.88703	0.9
57.08376	0.8
59.01240	12.8
65.03835	1.1
72.99193	0.9
75.00731	1.6
75.10522	0.9
75.22625	0.9
87.04353	1.0
90.78042	1.0
91.01751	5.5
93.03316	14.9
95.04918	1.6
96.95926	1.3
105.03383	1.4
107.04935	3.3
108.02037	2.2
109.02814	6.6
117.03372	1.0
119.04920	1.7
121.02819	21.2
121.03604	1.4
122.03671	1.0
123.00812	1.3
123.04386	8.3
124.01586	2.1
129.02441	0.9
133.02856	4.6
134.03624	8.1
135.04424	3.8
136.01604	1.5
136.72720	0.9
137.09703	1.2
139.03880	2.2
143.04958	3.8
145.02878	4.8
147.04475	2.9
149.02327	18.9
149.05986	1.9
150.03119	23.4
151.03915	15.9
151.05078	1.9
159.04405	4.8
161.02405	3.3
161.06020	2.9
162.03127	2.8
163.03935	4.9
164.04700	1.4
165.01820	13.5
165.05502	7.4
173.02321	7.8
174.03203	4.3
175.03987	3.3
177.01857	13.5
177.05426	1.0
178.02641	20.8
179.03413	100.0
179.10159	1.4
180.03818	2.0
187.03966	4.4
188.04744	1.4
189.05550	1.7
191.03458	6.2
191.07144	1.3
192.04269	3.0
193.05011	24.9
194.05495	1.2
194.59698	1.0
202.02666	10.4
207.02962	1.7
209.04477	2.0
217.04996	14.0
269.04520	2.5
278.05746	1.6
281.04605	1.8
293.00345	1.0
293.04636	1.4
297.04034	7.0
309.04251	1.7
318.79834	1.1
323.05765	1.8
325.03604	8.3
327.08990	2.2
339.05020	1.7
340.05832	8.8
355.08221	9.6
361.92923	1.1
367.08368	1.2
385.09161	12.9
385.22449	3.2
386.09821	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	14.7
59.82794	1.0
61.74435	1.1
63.60061	1.1
68.99651	1.5
80.83212	1.1
91.01759	5.5
91.73376	1.4
92.02524	1.1
93.03307	11.6
105.03286	1.5
107.04879	5.1
108.02005	2.8
109.02816	5.3
115.55517	1.2
117.03329	2.5
119.04896	2.5
121.02824	21.3
123.04412	7.9
124.01549	2.3
125.02391	1.7
133.02855	5.4
133.06419	1.6
134.03607	11.3
135.04422	5.7
136.01563	3.1
137.02304	1.7
143.04912	2.7
145.02861	5.3
146.85136	1.4
147.04466	2.2
149.02348	19.8
149.06000	2.4
150.03119	37.7
151.03894	14.5
159.04443	4.2
161.02347	3.8
161.05952	2.4
161.18073	1.3
163.03923	5.3
164.04663	1.6
165.01813	12.0
165.05452	8.5
173.02321	6.3
174.03122	3.7
175.03914	3.1
177.01833	14.1
178.02632	26.1
179.03409	100.0
180.03773	1.5
187.03963	4.1
191.03464	4.9
192.04257	3.1
193.04997	29.1
202.02634	12.0
202.45673	1.5
207.02948	4.0
209.04526	4.0
217.05054	12.3
241.05154	2.5
244.67241	1.4
253.24860	1.5
269.04669	4.1
281.04578	2.7
287.32083	1.5
293.04727	1.6
297.04025	8.2
303.53635	1.4
309.04111	1.8
312.76822	1.8
323.05637	2.4
325.03598	10.8
327.08777	1.7
339.04962	2.8
340.05844	12.1
344.51999	1.4
354.07553	1.9
355.08212	12.9
385.09134	18.4
385.12598	2.2
385.22510	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	385.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	23.7
59.69751	2.0
63.32447	2.4
93.03313	5.0
95.01202	2.7
95.04840	3.6
101.02285	2.8
108.02060	8.8
109.02811	7.9
118.45688	2.9
121.02844	6.5
123.00770	3.1
123.04422	13.6
124.01560	17.7
134.03644	5.6
135.79027	2.7
136.01558	8.7
139.03867	12.7
147.04469	3.8
148.01555	4.2
149.02332	17.1
151.03889	38.2
159.04396	3.2
160.01614	7.3
161.02377	8.1
163.03912	5.8
172.75163	3.2
175.03912	22.9
176.04767	4.6
177.01852	65.2
177.05519	7.9
178.02629	88.4
179.03078	3.0
187.03918	2.6
191.07031	7.4
192.04175	18.3
193.04982	57.8
199.03833	4.1
202.02647	9.1
203.03329	4.0
205.01331	4.6
213.05403	3.5
217.05005	4.7
217.72711	3.1
219.06552	3.8
225.05547	6.1
227.03529	4.2
237.05614	7.4
241.04991	7.5
253.05000	12.8
265.05038	8.8
269.04541	31.1
279.06561	3.8
280.03696	3.1
281.04517	18.0
285.44708	2.9
293.04654	13.1
295.06085	3.7
296.03259	8.1
296.06415	3.9
297.04044	56.6
298.04749	2.7
308.07019	3.7
309.04041	12.3
311.05746	5.8
311.09137	5.9
312.06427	5.4
323.05597	11.5
324.02579	4.6
324.06268	8.1
325.03561	100.0
325.20370	5.8
326.04056	6.4
327.08734	11.6
339.05124	16.2
340.05872	94.2
341.06436	5.6
341.10349	8.5
352.05966	8.0
354.07449	6.7
355.08221	82.2
356.08768	4.7
367.08191	8.9
370.06818	7.3
385.09302	52.4
385.22366	12.1
393.69833	3.3
409.04810	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	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71755	0.2
57.86395	0.2
59.00970	0.4
59.01242	4.2
59.48891	0.2
60.69724	0.2
61.98680	0.3
65.69924	0.2
67.24568	0.2
68.99678	0.2
71.01229	0.5
73.02783	0.3
83.01278	0.2
85.02793	0.3
88.27709	0.2
90.72753	0.3
93.03333	0.3
99.00741	0.3
115.00247	0.3
115.23775	0.2
117.03318	0.5
119.01543	1.2
119.04890	94.5
120.05222	2.1
121.02771	0.2
127.00239	0.4
130.08638	1.0
136.46019	0.3
137.02354	0.3
162.98561	1.2
163.03903	100.0
164.04272	2.4
169.51299	0.3
173.04448	0.3
175.02338	0.5
175.06026	0.6
185.16513	0.3
192.34119	0.2
205.05061	0.8
227.10504	0.5
230.55827	0.3
236.80788	0.3
242.34111	0.2
299.24530	0.3
325.09479	1.1
351.51892	0.3
385.12341	0.5
385.25742	1.3
391.82172	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01244	100.0
62.83144	2.3
65.18752	2.2
71.01244	53.9
72.99171	4.2
73.02805	5.1
78.91734	8.6
85.02807	10.5
87.51076	3.2
89.02293	52.2
91.73337	6.1
93.03352	3.3
95.01239	3.4
96.95862	33.4
99.00769	3.0
101.02312	28.3
113.02325	23.0
119.03382	28.7
120.86855	3.0
125.02332	3.1
137.02322	3.1
143.03395	3.8
145.02869	3.0
161.05978	12.1
163.03908	4.9
174.28915	2.8
179.05582	3.3
204.99710	6.0
205.05003	45.8
297.04141	5.5
307.08374	3.5
385.07846	24.1
385.12119	56.3
395.10236	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	385.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09762	0.2
56.26216	0.2
57.03296	0.3
57.23332	0.1
59.01232	0.8
59.20308	0.2
71.01239	0.3
71.20602	0.2
73.02805	0.3
83.01236	0.8
89.02298	0.3
91.05376	0.4
99.00749	0.3
106.04124	0.2
117.03411	0.2
119.01487	0.5
119.04893	41.4
120.05241	0.5
123.04350	0.3
127.00240	1.6
161.04425	0.3
162.98622	1.2
163.03906	100.0
164.04205	2.0
174.01625	1.9
175.02393	0.3
178.02499	0.2
189.00291	1.3
193.35486	0.2
205.04990	0.9
207.01347	0.4
235.06033	0.2
236.80858	0.2
290.11526	0.6
295.08234	0.2
325.09134	1.1
385.11392	2.9
385.16110	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1506
Annotation	Macrosphelide K
Peak:m/z	Relative Intensity
53.13971	0.6
55.01766	0.7
55.25813	0.7
57.03305	0.8
58.00452	0.7
59.01242	7.1
62.19526	0.7
68.32330	0.7
68.99657	1.2
70.16375	0.6
71.01228	4.0
71.01885	0.7
72.99152	1.7
73.02815	0.8
83.01232	2.9
85.02783	1.9
87.00714	0.8
89.47729	0.9
90.08249	0.8
91.73339	1.6
92.42048	1.0
92.42529	1.0
99.00741	3.9
109.06438	2.2
124.98679	3.2
129.01750	0.8
138.03105	2.3
142.99734	13.5
147.04372	0.9
154.99724	8.4
155.67787	0.9
165.12657	1.2
173.00815	13.0
173.87271	0.8
175.03894	1.0
183.13872	3.2
187.02429	0.7
193.05121	0.9
197.15286	1.0
205.16019	1.1
211.13339	15.0
211.16956	2.8
220.08743	0.9
221.11748	1.9
221.15422	3.1
223.13411	1.2
225.14813	1.3
227.03491	3.2
227.16420	1.1
228.03923	2.4
231.13907	1.3
237.14937	9.3
239.12828	2.3
239.16519	11.1
247.13422	2.5
249.11281	2.0
249.14943	9.3
251.16541	1.9
253.14380	1.3
255.02980	4.8
255.16026	7.8
256.03366	3.6
259.13361	1.4
265.14481	2.8
267.12402	8.3
267.15918	2.9
277.14383	1.6
283.15390	1.2
284.03259	6.4
285.03610	4.8
286.03973	1.5
311.11380	4.5
311.14874	2.3
323.15033	1.4
349.20206	3.5
355.14005	62.9
356.14313	2.2
384.59891	4.6
385.15051	100.0
386.15427	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	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99925	1.0
59.01242	100.0
59.02426	1.9
59.97325	0.3
60.01577	0.9
63.57756	0.7
70.69801	0.3
71.01257	0.7
73.02820	0.8
75.01258	0.3
80.68819	0.4
91.73373	0.4
101.02287	1.0
103.84844	0.4
105.62257	0.4
134.03636	0.4
161.02406	0.6
164.03474	0.5
178.99809	0.4
216.79054	0.4
243.02925	0.4
255.02992	0.5
271.02637	1.6
300.02814	2.0
301.03531	0.5
325.60074	0.5
385.08774	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1507
Annotation	Icariside H1
Peak:m/z	Relative Intensity
52.17921	0.1
55.43934	0.1
57.03297	0.3
59.01246	0.9
71.00880	0.2
71.01242	4.0
71.41552	0.2
72.55796	0.2
73.02802	1.1
83.01210	0.8
83.01661	0.2
85.02809	2.5
92.02538	0.2
93.03315	0.3
95.01231	0.3
97.02803	0.2
99.00732	0.8
101.02303	2.9
106.04079	1.2
107.04875	0.5
113.02304	2.0
118.63376	0.2
119.04898	0.6
121.02833	1.0
121.06435	0.3
137.00545	0.2
149.09612	1.2
159.02885	0.6
159.08026	0.6
161.04469	2.1
161.09637	0.6
175.07562	0.2
177.09125	12.9
177.15189	0.2
178.09456	0.4
179.03636	0.7
179.10687	100.0
179.16913	1.1
180.10997	2.2
218.81693	0.2
223.09717	37.4
223.18297	0.4
224.10027	1.3
306.74982	0.2
384.93491	0.2
385.15079	17.8
386.15216	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52182	0.7
55.01761	1.1
56.20468	0.7
57.03337	0.8
59.01242	6.0
60.00740	0.7
61.70906	0.4
63.01813	0.5
69.03316	0.5
71.01247	4.2
72.99181	1.8
73.02829	1.4
78.61256	0.4
81.66627	0.5
83.01228	4.8
85.02831	1.1
87.00754	0.8
92.42120	0.9
93.03327	1.1
95.04910	1.5
96.99184	0.8
97.06461	0.7
99.00740	4.1
108.02042	1.0
109.06466	0.8
111.00792	0.8
113.02361	0.6
115.00289	0.8
118.97990	0.6
119.04923	0.8
120.99566	1.5
122.03632	0.8
123.08064	0.6
124.01541	0.5
124.98672	8.4
125.75220	0.5
125.86685	0.5
126.70849	0.6
127.00298	0.7
127.56675	0.6
138.03143	2.2
142.99745	24.0
149.61986	0.6
151.00284	1.2
152.46335	0.6
154.99756	30.0
156.00153	0.7
165.12787	0.6
166.02679	1.4
173.00824	27.9
173.04498	2.2
174.01199	0.6
175.02469	0.9
177.12759	0.6
179.10677	0.7
183.13832	3.3
193.12473	0.8
195.13934	1.0
199.13382	1.0
200.36253	0.6
205.12222	0.6
211.13327	10.4
211.16779	1.0
219.13982	1.0
221.11827	2.3
221.15436	1.9
223.13428	0.9
227.16553	0.9
235.13477	1.5
237.14934	9.7
239.12897	2.3
239.16553	2.4
247.13422	2.1
249.11404	2.6
249.14951	4.0
251.16473	0.6
253.14493	1.3
255.16034	8.5
261.14877	0.6
265.14447	2.8
267.12427	7.4
267.16037	1.6
277.14386	1.1
283.11960	1.2
283.15576	1.1
293.13977	1.0
295.15421	1.3
309.13364	0.7
311.11389	6.5
311.15005	1.7
312.11813	0.8
323.14963	2.1
323.18600	0.7
325.11212	0.8
337.13141	0.7
355.14008	100.0
356.14340	4.5
361.65610	0.6
385.15057	37.0
386.15430	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02277	0.5
56.30612	0.1
56.49367	0.1
58.64669	0.1
59.01235	0.4
60.49993	0.1
65.99708	5.7
67.00042	0.3
67.01747	4.5
68.99677	0.8
69.03311	2.2
69.03651	0.2
71.01247	0.4
78.55327	0.1
79.01747	2.8
80.02520	0.3
81.01210	0.3
81.03315	25.9
81.05188	0.4
82.03645	0.4
83.64402	0.1
95.01243	9.6
97.02811	2.2
107.01248	14.3
108.00950	0.2
108.02036	9.6
109.02824	3.0
121.02830	1.6
123.00748	12.6
123.04306	0.2
124.01078	0.3
124.98236	0.3
125.02314	31.6
125.05914	0.5
126.02618	0.7
149.09668	0.2
151.00256	100.0
151.05042	1.2
152.00656	2.6
156.32800	0.1
177.91467	0.2
178.02673	0.3
179.06805	0.2
193.05019	0.3
236.18146	0.1
349.19894	0.2
362.59430	0.2
370.09805	0.2
385.16605	11.5
386.16806	0.9
395.01038	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	385.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52066	0.6
53.00183	0.7
54.98815	0.7
55.34938	0.6
57.10402	0.8
58.86205	0.6
59.01238	3.1
61.44693	0.6
61.98670	0.7
65.99715	5.6
67.01756	4.8
67.97449	0.7
68.99679	1.5
69.03305	2.3
79.01752	2.5
81.02843	1.4
81.03316	25.5
93.03290	0.9
95.01257	9.8
97.02770	1.3
107.01250	10.9
108.02042	19.2
109.02825	11.9
113.09642	0.8
121.02799	2.6
123.00745	11.9
125.02322	30.7
139.32037	0.7
150.95476	1.5
151.00261	100.0
152.00848	2.6
153.01842	1.1
157.39955	0.8
178.02576	1.7
179.03357	1.3
340.05835	1.1
385.16595	40.6
386.16763	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	3.3
65.99714	5.4
67.01750	4.5
68.99679	1.0
69.03320	2.4
72.73590	0.7
73.02782	0.9
79.01763	2.7
81.03317	23.0
92.22993	0.9
95.01245	8.5
96.95873	2.6
97.02831	1.6
107.01246	11.1
108.02069	2.4
109.02869	1.1
109.48098	0.9
120.29362	0.8
121.02841	1.5
123.00745	12.1
125.02316	29.4
130.42072	1.0
146.92390	0.8
151.00259	100.0
151.04913	1.4
152.00871	3.0
153.01836	1.2
223.20671	2.3
253.21777	3.1
254.34526	1.0
265.14914	1.2
282.24542	1.5
314.26968	1.7
385.16650	12.8
386.16559	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02271	0.6
52.60248	0.3
56.19949	0.3
56.56361	0.3
59.01229	1.2
60.20509	0.3
61.79697	0.3
65.99705	5.9
67.01745	5.1
68.99673	0.9
69.03313	2.3
72.29194	0.3
79.01746	2.8
81.03310	23.6
81.05299	0.3
82.03652	0.3
83.42011	0.3
93.03326	0.4
95.01241	10.2
97.02817	1.9
107.01245	12.6
108.02040	2.7
109.02821	0.8
110.33816	0.3
121.02787	2.1
123.00744	12.9
123.04427	0.4
124.98918	0.5
125.02310	31.1
126.02715	0.5
151.00252	100.0
151.05383	1.3
152.00819	2.4
153.01781	0.7
186.00450	0.4
192.14357	0.3
223.20700	0.4
253.21742	0.5
314.27365	0.4
381.16528	0.4
385.16574	13.4
386.16791	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2236
Annotation	Oleandolide
Peak:m/z	Relative Intensity
59.01243	5.7
66.38879	0.5
68.28175	0.4
69.93233	1.2
69.93583	0.7
70.11942	0.5
71.01227	0.7
79.53815	0.9
79.54258	1.0
83.62808	0.5
85.02794	0.5
89.02309	1.3
91.03854	2.0
120.16234	0.5
121.02815	0.7
122.03571	0.8
136.05196	0.8
167.14352	3.2
193.15935	1.4
196.15367	0.5
199.00664	0.7
207.17509	1.1
212.30818	0.7
223.20630	2.2
233.15672	0.8
249.18639	6.4
267.19672	100.0
268.20035	1.9
275.16537	11.2
293.17599	63.8
294.17899	2.0
311.18643	12.6
325.10938	0.6
367.21280	6.9
385.22342	67.7
386.22696	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	385.2385
Annotation	Gerronemin A
Peak:m/z	Relative Intensity
59.01242	0.3
67.05412	0.3
77.79453	0.3
88.04894	0.4
88.05348	0.3
92.02528	1.5
106.04105	6.7
107.04899	3.4
108.02008	0.5
119.04891	17.1
120.05207	0.4
121.02818	6.0
133.06456	5.0
147.08044	0.6
161.09575	1.0
163.11110	0.5
175.11209	1.2
177.12848	0.4
186.66858	0.4
189.12781	1.2
192.40892	0.3
203.14371	1.4
205.12256	0.7
215.14362	0.5
217.15941	1.2
229.15958	1.3
231.17493	1.0
243.17590	0.8
245.19148	0.6
253.16194	0.5
257.19077	6.2
258.19638	0.8
267.17645	0.4
269.19055	0.4
271.20694	0.6
281.19101	0.7
283.20700	0.6
285.22302	1.1
295.20578	0.5
309.22244	2.1
311.23825	21.1
312.24176	2.0
313.25323	1.4
321.22168	0.9
323.23813	21.0
324.24097	1.8
341.24966	1.0
385.23868	100.0
386.24237	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	385.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78700	0.2
59.68462	0.3
62.86866	0.3
71.04865	1.6
76.49969	0.3
88.04870	0.6
88.05333	0.4
91.73341	0.4
92.02541	1.3
93.03289	0.4
106.04102	6.0
107.04908	4.1
108.02023	0.5
119.04895	18.1
121.02818	5.4
123.74636	0.3
133.06462	4.0
143.14063	0.3
147.08051	0.6
161.09660	0.7
175.11218	1.3
189.12808	1.0
203.14378	1.9
211.11244	0.4
215.14302	0.4
217.15968	1.2
229.15956	1.3
231.17528	0.9
235.36971	0.3
239.14468	0.4
241.16019	0.8
243.17560	1.0
253.15941	0.7
255.17607	0.4
257.19086	1.7
262.90686	0.3
265.16248	0.4
267.02747	0.4
267.17535	1.2
269.18991	0.7
271.20703	6.4
281.19070	3.2
283.20697	19.2
284.20972	0.8
285.22220	0.7
307.20673	0.8
321.22202	1.2
323.23819	26.5
324.24274	0.9
341.24896	1.0
367.22711	0.6
385.23883	100.0
386.24207	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	385.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62198	0.3
53.64557	0.3
54.95515	0.3
55.69754	0.3
56.86036	0.3
64.98682	0.3
92.02531	0.6
106.04098	3.0
106.50296	0.4
107.04851	2.2
111.08025	0.5
113.09599	0.4
119.04897	4.7
121.02824	2.3
133.06464	2.0
144.30280	0.4
150.03114	2.8
163.03917	2.2
175.11198	0.6
177.05478	0.8
182.02119	0.6
189.12828	0.4
203.14343	7.7
217.15976	0.9
219.10326	0.8
219.13884	0.6
220.80357	0.5
229.15959	1.0
231.13890	4.0
231.17480	6.1
243.17516	14.9
244.17900	0.5
245.19180	0.5
247.13454	0.9
253.16022	1.1
271.17084	1.2
273.15088	0.8
287.16669	2.5
287.19534	0.4
313.25623	0.6
315.16257	0.5
316.16605	1.9
323.23825	5.8
341.24826	2.5
385.23862	100.0
386.24194	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04893	0.7
75.51371	0.5
76.51476	0.4
83.41881	0.3
92.02533	1.2
93.03310	0.5
95.89014	0.3
106.04102	5.7
107.04892	5.9
108.01978	0.4
113.09589	1.8
119.04893	13.3
119.17654	0.3
121.02826	6.2
121.10118	2.1
131.80247	0.4
133.06476	2.6
137.02365	0.5
139.11180	0.4
147.08092	0.4
161.09616	0.9
175.11186	0.8
189.12798	1.2
191.14330	0.6
201.12827	0.9
203.14354	4.9
215.14363	2.4
217.15921	1.0
219.13846	5.0
222.65022	0.4
227.14418	1.1
229.15988	0.8
233.15445	3.2
235.13326	0.6
243.17525	25.5
244.17865	1.4
245.15460	1.5
245.19035	0.5
279.23456	0.4
283.20700	1.3
299.23688	0.4
321.22202	0.7
323.23813	11.4
324.24219	0.7
341.24838	12.0
342.25284	0.8
368.93872	0.4
385.23865	100.0
386.24203	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26736	0.2
70.92824	0.2
90.55964	0.5
90.56441	0.4
91.05367	0.3
93.03310	3.7
106.04111	0.4
107.04874	0.4
107.98742	0.3
108.02029	21.9
109.02847	0.8
119.04869	0.6
121.02820	53.7
122.03623	13.0
123.04404	7.2
134.03606	9.7
135.04413	6.1
147.04440	0.5
147.91132	0.3
148.05183	1.2
149.05975	1.2
152.01048	2.5
160.54222	0.3
161.06001	1.2
162.06813	0.4
163.07547	0.6
169.07477	0.3
175.26770	0.3
176.08290	0.5
177.09113	0.6
190.09917	0.9
191.10713	0.9
192.11415	0.4
204.11516	0.8
205.12187	0.6
216.11473	0.7
218.13095	1.5
219.13812	0.6
219.21242	0.4
227.20216	0.4
230.13130	0.7
232.14685	1.8
233.15424	0.7
235.72269	0.4
244.14680	0.9
245.15390	0.6
246.16251	3.3
247.16968	0.5
258.16272	1.6
259.17035	0.3
260.17819	1.1
272.17841	2.6
273.18719	0.4
274.19525	0.4
286.19290	1.7
297.18237	0.3
298.19366	0.4
300.21069	0.6
312.21088	0.8
313.25519	0.4
319.69147	0.4
323.23947	1.0
339.23251	2.0
340.23889	1.9
341.24857	41.7
342.25226	3.0
385.23859	100.0
386.24216	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	385.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29001	0.5
56.30082	0.5
57.03315	0.9
58.87224	0.5
59.01244	1.7
59.98035	0.5
67.08643	0.6
67.93557	0.5
70.21175	0.5
71.01210	0.5
77.54848	0.5
80.18218	0.6
87.40617	0.7
92.02496	0.6
93.03320	3.9
106.04131	1.5
107.04892	14.6
108.02034	1.2
119.04917	6.1
121.02826	15.9
122.03622	1.1
132.19762	0.7
133.06471	2.0
134.03615	3.1
141.30173	0.6
144.87759	0.7
161.05984	1.4
175.07535	0.6
177.09071	0.9
189.09103	1.9
190.98399	0.7
191.10684	2.7
203.14389	1.0
219.13850	2.8
221.11812	1.1
231.13908	1.2
231.17474	6.3
233.15440	8.2
235.13353	1.6
243.17557	5.1
245.15471	1.0
247.17169	0.9
271.20712	0.9
283.20676	1.2
313.25406	2.5
323.23831	4.2
341.24847	18.4
342.25256	1.2
385.23871	100.0
386.24310	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	385.2597
Annotation	oscr#25
Peak:m/z	Relative Intensity
50.78763	0.8
59.01241	5.3
61.00013	0.8
75.08315	0.9
75.50295	1.0
84.39922	0.9
86.31931	1.0
86.32404	0.9
89.63554	0.8
91.03864	0.9
105.09179	1.0
109.02813	1.6
151.00243	2.6
161.88567	0.9
249.22234	83.3
250.22464	3.8
267.23273	2.5
289.65421	1.1
293.21246	54.5
294.21536	1.9
303.58606	1.1
311.22302	100.0
312.22650	4.5
344.27676	1.1
349.23105	1.1
385.16248	3.3
385.25983	48.1
386.26233	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	385.2751
Annotation	Scalarolide
Peak:m/z	Relative Intensity
54.55040	0.4
59.01229	0.4
62.40178	0.4
77.84068	0.4
80.28557	0.4
90.56788	1.6
92.02518	1.2
93.03303	0.7
95.01244	0.7
96.73093	0.5
106.04092	4.6
107.04890	5.9
108.01995	0.8
119.04891	17.8
121.02827	8.3
121.89352	0.5
122.38015	0.5
133.06459	4.2
147.08115	0.6
161.09601	1.0
175.11162	2.5
181.62099	0.5
189.12704	1.0
203.14261	0.9
211.17595	0.5
231.17470	0.7
245.19170	0.7
257.19250	0.7
341.28497	92.0
342.28845	7.4
385.27512	100.0
386.27841	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	386.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66815	1.6
52.92959	1.8
58.00477	2.6
59.01247	15.1
60.04409	1.9
61.98721	1.6
64.64865	1.7
70.02853	2.2
71.01260	7.6
72.00785	4.7
73.02808	16.2
83.04921	2.0
86.02356	6.7
88.03892	15.8
96.95876	2.4
100.03908	14.2
145.64604	2.3
221.19052	9.8
223.20645	71.2
224.21036	3.6
225.22255	12.7
230.20399	2.6
235.20772	4.8
251.20232	5.0
253.21722	100.0
254.22173	4.6
264.23425	4.9
265.21948	3.2
282.24405	56.3
306.24579	2.9
314.27036	62.2
315.27460	5.0
342.26492	10.1
386.25485	33.4
387.26013	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	387.039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31839	0.2
57.03299	0.4
59.01242	6.1
59.82093	0.2
59.91684	0.2
61.77066	0.2
71.01241	2.7
72.20928	0.2
72.99184	0.3
73.02802	0.6
73.29571	0.2
78.95763	7.1
79.95593	2.4
81.03291	0.3
83.01244	0.9
85.02817	0.8
89.02291	2.2
93.03316	0.5
96.93423	1.7
96.95872	100.0
96.96790	14.5
96.98651	1.0
97.02847	0.3
97.95773	0.3
98.95476	0.5
99.00756	0.4
101.02293	1.7
109.02814	2.4
111.04375	0.5
113.02278	1.1
117.06998	0.3
119.03391	0.8
120.99537	0.7
123.00737	0.5
123.04403	0.4
124.01536	0.2
125.02310	3.2
127.00247	0.9
132.42641	0.2
133.02902	0.3
137.02325	1.4
137.09567	0.3
137.13965	0.2
138.03091	0.3
139.03879	1.1
145.06526	0.3
149.02301	0.4
150.03062	0.3
150.47079	0.2
150.48387	0.3
153.01849	1.2
159.02881	0.2
161.02356	0.6
161.04497	0.9
163.03941	0.3
163.07553	0.5
164.01120	0.4
165.01820	1.2
165.05473	0.8
167.03403	0.9
169.08646	0.3
173.04492	0.5
176.04767	0.4
177.05450	0.4
179.03398	1.1
189.00357	0.6
189.01904	1.1
189.05539	1.8
191.03403	0.5
191.05400	0.3
191.07053	0.3
203.07245	0.2
205.05011	0.3
207.06711	0.3
211.34854	0.2
219.06676	0.6
221.04543	0.6
250.26376	0.3
255.06392	0.3
261.07599	0.3
265.07187	0.5
289.07248	1.9
305.06671	5.7
341.10825	0.3
343.04639	0.5
343.13977	0.4
387.03412	0.2
387.08081	1.1
387.12949	5.3
387.17688	0.4
388.10355	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70926	0.3
57.63086	0.3
59.01244	9.6
71.01241	4.8
73.02791	0.4
79.95594	1.3
80.96374	0.4
81.61195	0.4
83.01197	0.4
85.02804	1.5
89.02302	6.0
91.72768	0.7
93.03313	0.8
95.01261	0.3
96.93229	0.7
96.95868	56.8
97.14055	0.4
99.08016	1.3
101.02302	4.8
101.97031	0.3
113.02317	2.6
117.78145	0.4
119.03352	2.1
127.07522	3.8
145.08582	4.1
151.05103	0.4
164.74718	0.4
165.05490	0.8
166.06227	0.5
173.04514	1.5
181.08545	0.4
185.29266	0.5
238.68971	0.4
241.00168	3.9
307.14026	10.5
387.09641	100.0
388.09891	4.5
388.55991	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70265	0.2
55.48364	0.2
56.22830	0.3
59.01242	3.5
61.98698	2.8
62.43943	0.3
65.68834	0.3
67.97130	0.3
71.01249	0.7
77.03812	0.3
81.03324	0.4
85.02797	0.4
86.57270	0.3
93.03333	2.2
95.01235	0.4
95.04885	1.1
101.02311	0.4
103.39562	0.3
105.03334	0.3
107.04861	0.3
108.02013	0.9
109.02811	0.4
114.64159	0.3
121.02825	3.1
122.03638	0.6
123.00733	0.7
123.04390	2.8
135.04407	0.5
136.01579	0.3
137.02332	0.4
147.04413	0.4
149.02332	7.6
150.03140	3.2
151.00302	0.3
151.03905	1.0
160.01520	0.4
161.02344	1.4
161.04462	0.8
162.03125	2.3
162.43257	0.4
163.03899	0.7
164.08337	1.9
165.01843	1.2
165.05458	1.0
165.09096	0.6
171.77370	0.3
175.03906	0.4
176.95717	0.6
177.01849	34.1
177.05214	1.6
177.96545	0.9
178.02626	80.7
179.03314	4.1
180.04184	3.1
191.03423	1.1
192.04210	17.2
192.98109	1.1
193.04990	100.0
194.05338	3.0
195.06546	4.0
207.06572	0.3
241.05045	0.3
273.48679	0.3
286.12067	0.4
287.12955	0.8
327.14526	0.4
387.10812	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1089
Annotation	Cimiracemate D
Peak:m/z	Relative Intensity
59.01239	9.2
61.98684	4.6
62.64869	1.0
71.01221	1.2
73.51154	0.9
77.03794	1.5
80.81851	1.1
84.74308	1.2
93.03316	4.6
95.04878	3.9
101.02286	1.3
105.03294	1.5
108.02029	1.3
109.02789	1.5
113.02377	1.7
120.07953	1.1
121.02810	8.8
123.00758	1.3
123.04393	11.2
124.01508	2.1
131.48631	1.1
133.02759	1.4
137.02327	3.2
138.90424	1.4
139.03947	2.0
141.01573	1.2
148.33752	1.1
149.02332	24.4
150.03120	11.0
151.03886	6.9
152.01027	3.0
153.01749	1.3
157.06480	1.5
161.02330	3.2
161.04494	2.9
162.03119	25.5
163.03920	5.1
164.08328	3.0
165.05501	7.2
167.03313	1.8
176.01123	2.2
177.01846	98.5
177.05409	3.9
178.02625	80.7
179.03409	9.2
180.04192	61.2
181.04590	1.6
191.03374	4.5
192.04213	84.0
193.04996	100.0
194.05426	3.5
195.06561	87.0
196.06850	2.9
249.69289	1.3
290.56464	1.2
387.10712	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	387.1088
Annotation	Cimiracemate D
Peak:m/z	Relative Intensity
55.01750	1.2
57.03318	9.2
59.00979	1.6
59.01247	20.8
61.65622	0.9
61.98400	1.9
61.98692	20.3
64.73509	0.9
67.01766	0.9
70.61246	1.1
71.01239	3.3
72.99155	1.1
78.16697	0.9
80.24730	0.9
85.02805	100.0
86.03142	1.8
91.01755	4.8
91.72779	1.5
93.03313	10.9
105.03317	1.3
107.04903	4.5
108.02041	3.7
109.02815	7.6
113.02312	2.2
117.03350	2.0
119.01234	1.7
119.04882	1.8
121.02815	25.7
123.04383	10.4
125.72437	1.2
130.04085	2.5
131.04826	1.2
133.02838	10.2
134.03610	4.2
135.04355	7.3
136.01550	1.3
143.04927	8.9
145.02875	2.4
145.06470	2.5
147.04387	3.3
149.02353	11.7
149.05891	2.3
150.03127	9.8
151.03909	10.4
152.01065	2.0
157.06488	1.1
158.03622	4.7
159.04375	2.9
161.02339	4.1
161.04472	4.3
162.03142	9.9
163.03870	5.7
164.08318	6.7
165.01851	4.9
165.05490	2.8
165.09128	3.9
167.03430	2.5
171.04411	18.2
172.05157	2.1
173.05981	7.7
175.03943	3.2
177.01878	6.3
177.05522	2.0
178.02661	5.5
179.03407	68.9
180.04160	5.4
183.04446	3.2
186.03171	3.1
189.05528	3.1
190.02669	1.1
191.03421	28.9
192.04143	2.3
193.04999	10.5
195.06523	13.8
199.03935	4.4
200.04587	1.6
201.05498	23.0
205.05045	2.9
208.03650	8.5
209.04422	1.3
213.05591	1.3
219.06548	5.3
243.13875	2.6
272.10562	1.8
286.12259	1.8
287.12991	6.6
315.12469	2.0
327.14569	1.5
387.10806	28.0
387.15372	1.8
388.11420	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	387.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13250	1.3
57.03294	2.4
59.00972	2.5
59.01244	29.7
61.98693	25.0
67.01736	2.6
71.01235	4.2
72.99151	2.0
73.02808	2.4
73.44894	1.7
78.48975	1.5
79.74265	1.6
85.02807	37.0
91.01742	2.7
93.03320	8.8
94.29821	1.8
101.02296	2.3
107.04835	3.4
108.02045	3.6
109.02807	7.9
115.05348	2.4
119.04888	3.2
121.02851	10.4
121.26652	1.6
123.00745	5.8
123.04406	4.0
124.01526	9.1
125.02275	2.6
130.04114	2.4
132.02042	2.3
133.02806	4.7
134.03598	2.7
135.04382	2.4
136.01530	9.8
137.02330	4.2
139.03911	3.0
140.01051	2.9
143.04916	13.3
145.06511	2.7
147.04401	8.3
148.01526	6.5
149.02298	8.3
149.06027	2.8
150.03094	5.9
151.03900	21.5
152.01016	5.9
153.01805	3.2
155.04852	2.2
158.03625	7.3
159.04413	6.5
161.02318	5.3
161.04431	7.7
162.03117	17.4
163.03879	6.9
164.08360	9.7
165.05472	3.0
165.09085	10.6
166.02615	4.9
167.03389	5.7
168.00618	2.0
171.04417	31.5
172.05141	5.0
173.05998	13.1
174.03087	2.4
175.03912	13.6
176.01036	7.2
176.04491	2.4
177.01851	10.5
177.05499	13.9
178.02626	29.4
179.03419	38.8
180.04134	4.2
181.01402	2.1
181.04974	6.5
183.04419	4.4
186.03151	5.2
186.06755	2.1
187.03934	2.0
189.05489	5.7
191.03407	13.3
192.04198	5.4
193.05000	13.1
195.06607	9.7
199.03975	6.4
201.05504	34.6
203.03308	3.9
204.04164	3.3
205.05031	13.9
209.04413	2.8
213.05511	1.8
219.06596	12.5
226.02686	7.0
227.03490	3.3
233.00879	2.9
241.05125	4.7
243.13831	5.8
254.02299	3.5
255.02974	4.9
269.04532	6.3
271.13446	2.1
272.10477	2.6
283.06146	2.1
287.12878	13.0
297.04184	13.0
299.05685	2.4
312.06326	4.3
315.12372	4.8
327.05029	4.9
327.08563	2.2
327.14398	2.0
329.10193	2.5
341.06491	2.3
342.07159	4.0
354.07379	3.0
355.11938	2.7
357.06042	3.5
357.09811	10.5
361.38062	2.3
369.09802	2.5
372.08527	47.5
387.10809	100.0
388.11194	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	387.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.8
60.23941	0.6
65.00179	0.9
71.23370	0.6
71.59494	0.6
73.08244	0.5
77.03793	0.7
91.73342	1.2
93.03313	5.2
95.04884	3.6
99.74689	0.6
101.07107	0.6
105.03334	1.9
108.02064	1.1
121.02807	7.3
123.04400	8.7
124.01532	1.0
126.29123	0.6
132.81783	0.7
133.02811	0.7
137.02275	1.2
148.55154	0.6
149.02319	20.6
150.03127	9.1
151.03896	6.2
161.02345	2.5
162.03104	20.8
163.03902	4.7
165.05461	7.2
165.70702	0.6
177.01845	99.4
177.05214	4.0
178.02623	69.0
179.03314	5.6
180.04190	51.6
181.04567	1.9
191.03487	2.8
192.04205	80.3
193.04985	100.0
194.05334	4.2
194.98723	1.0
195.06555	86.5
196.06894	2.6
207.56253	0.8
328.38263	0.7
357.09869	0.7
369.09283	0.7
387.10773	3.2
394.09607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60762	0.2
54.53287	0.2
59.01241	1.7
61.98692	2.8
71.01253	0.2
74.83303	0.2
78.15181	0.2
78.47402	0.2
81.03321	0.2
85.27612	0.2
85.28939	0.3
91.73306	0.2
94.86935	0.8
94.87600	0.3
98.74195	0.3
109.02808	0.3
112.71811	0.3
119.36323	0.3
121.02823	0.3
133.02815	1.7
137.02380	0.5
143.05013	0.3
145.02924	0.3
147.00766	0.3
149.02400	0.4
153.01863	0.3
157.06500	0.5
161.02315	2.0
161.04471	0.6
164.08369	1.0
165.09175	0.5
169.06480	1.5
171.04489	0.3
175.03934	0.4
181.06590	0.6
182.03658	0.4
183.04453	0.3
185.05954	1.6
189.01993	0.2
195.04428	1.6
196.05252	1.8
197.06004	4.1
198.03250	0.8
208.05284	0.3
209.06032	0.3
210.03232	0.6
211.03976	1.3
212.04733	2.1
213.05527	5.2
214.05879	0.3
223.04005	1.9
224.04750	2.1
225.05522	5.9
226.02606	1.1
226.06042	0.3
227.03453	0.8
236.04712	0.4
237.05528	0.3
239.03477	1.6
240.04234	7.7
240.06599	0.5
241.05042	10.8
241.96889	0.2
242.05568	0.4
251.03510	0.8
252.04214	1.2
253.05052	11.9
254.05492	0.8
255.03072	0.4
265.04962	0.6
267.03113	1.1
267.06726	0.4
268.03842	12.5
268.07449	4.4
269.04550	15.8
270.04935	0.6
279.03046	0.3
281.04553	3.1
283.06082	3.0
284.06851	0.6
295.02582	0.4
295.06091	0.3
296.03284	3.4
296.06927	1.4
297.04034	21.5
298.04471	0.9
299.09271	1.0
309.04037	1.0
310.04794	0.7
311.05646	2.7
312.06503	0.9
316.09607	0.6
324.06387	2.3
325.07120	0.5
327.08737	0.9
329.06717	1.0
339.05234	0.3
339.08905	1.0
343.08212	0.5
344.09018	5.9
345.09305	0.5
354.07401	0.3
357.06192	4.0
357.10071	0.4
359.11493	1.1
369.09705	0.5
372.08527	78.1
373.08890	4.3
387.10880	100.0
388.11249	7.3
388.15491	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	387.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34429	0.3
59.01241	2.8
61.98679	2.5
63.59822	0.3
68.99678	4.5
69.40242	0.4
70.39290	0.4
77.02440	0.4
95.01236	0.4
108.02029	13.3
109.02815	1.9
117.03274	0.4
119.04895	1.0
120.12736	0.4
121.02826	1.2
122.03625	2.2
123.00719	1.4
123.04390	10.3
132.02066	2.2
133.02824	1.5
134.03609	38.6
135.04034	0.8
136.01540	1.2
137.02321	4.6
138.03108	0.8
139.03880	1.2
147.04407	4.4
148.01552	0.9
148.05193	9.9
149.02234	0.5
149.05968	12.2
150.03107	8.5
150.06270	0.4
151.03854	0.5
153.05437	0.9
160.01518	0.7
161.02330	1.3
162.03122	4.4
163.03867	1.5
164.08324	1.4
165.05472	1.3
165.09067	0.7
174.03116	2.1
175.03862	0.6
177.05482	2.8
177.96188	0.5
178.02625	43.4
179.02997	1.3
180.04208	3.0
189.05440	2.4
191.03419	1.8
192.04173	2.2
193.04985	100.0
194.05374	4.2
201.38388	0.4
206.05927	0.5
217.04903	0.8
218.02109	0.7
224.03235	1.9
233.04472	2.5
238.04756	0.6
263.05573	3.3
284.10529	1.3
298.08572	0.9
299.12891	12.3
300.12991	0.6
313.10675	2.8
325.10715	0.8
343.08307	0.6
343.12000	3.1
349.20300	1.0
357.09726	1.8
357.13510	1.0
372.08868	0.5
387.10883	13.0
388.11227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02785	0.8
59.01243	20.6
60.41075	0.8
61.98692	16.9
71.01236	3.2
73.02789	0.9
84.46338	0.9
85.02785	1.4
86.18097	1.0
93.03342	1.7
96.95852	1.1
101.02328	2.3
108.02027	4.8
109.02816	5.3
121.02811	3.5
122.03616	2.2
123.00784	2.2
123.04402	3.2
124.01534	3.7
132.02022	1.7
134.03598	5.4
135.04362	4.3
136.01559	9.8
136.05223	1.0
136.98970	1.3
137.02315	2.4
137.05960	23.2
147.04410	2.6
148.01579	2.4
149.05956	2.2
150.03096	3.2
151.03891	12.4
153.01799	2.0
160.01559	1.2
161.02347	12.9
161.04459	4.3
161.05727	1.3
162.03123	100.0
163.03728	3.2
164.08296	7.8
165.05458	2.8
165.09155	6.0
166.02621	1.2
167.49144	1.0
175.03929	7.5
176.04752	1.9
177.01863	4.9
177.05482	77.8
177.79761	1.2
178.02620	16.5
178.05882	2.2
179.03410	5.5
180.04178	5.1
181.05165	1.4
185.06038	1.8
191.03418	2.0
192.04205	3.9
193.04961	15.0
194.05746	1.6
195.06580	3.8
209.04503	93.8
210.04836	3.1
229.05083	2.8
241.05141	3.0
248.59665	1.4
271.06113	1.4
283.06210	2.7
295.06067	2.3
297.03946	1.2
298.08426	1.7
299.05777	2.0
311.05542	2.6
313.03427	1.3
313.10831	9.0
327.05014	1.8
327.14478	1.5
342.07434	1.6
343.11798	3.0
354.07355	1.3
357.09790	2.1
369.09879	2.1
372.08371	1.4
387.10822	34.0
387.15402	2.1
387.24155	2.4
388.11346	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	387.1299
Annotation	Swertiajaposide A
Peak:m/z	Relative Intensity
59.01242	19.6
60.74117	0.3
61.00201	0.3
71.01242	4.5
73.02797	1.7
75.00703	0.4
83.01273	0.5
83.50571	0.3
85.02795	1.8
87.00700	0.5
88.19810	0.4
89.02305	1.2
93.03336	1.0
95.01233	0.5
96.95863	0.9
97.02775	0.5
99.00711	0.4
99.19924	0.4
101.02313	3.7
103.93933	0.4
107.04908	0.5
108.02021	1.3
109.02798	1.1
113.02305	2.7
113.25959	0.4
121.02804	0.5
122.03596	0.9
122.99167	0.6
123.04381	2.9
134.03587	3.2
136.05165	3.2
137.02306	1.3
137.05984	0.5
139.00244	3.1
149.02249	0.5
149.05966	21.7
150.03117	2.1
151.03889	18.6
151.07512	0.8
152.01033	1.8
153.01825	0.9
153.32869	0.5
154.02580	2.1
155.03387	0.4
159.02846	1.4
160.05142	0.6
161.04449	8.8
164.02567	0.5
164.04691	10.8
164.08325	27.2
165.01886	3.2
165.05475	20.1
165.09109	12.0
166.02458	0.4
166.06241	9.3
167.03424	4.3
179.07043	1.4
180.04149	1.7
181.05005	2.6
181.08595	2.4
191.05536	2.4
198.05217	1.1
207.10083	1.0
219.06613	0.4
225.07642	100.0
226.07927	2.7
247.84242	0.5
249.01968	0.4
263.05722	0.6
265.09186	0.4
327.14496	4.1
387.12970	11.8
387.20407	0.9
388.13400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53372	0.3
55.01742	0.3
55.64599	0.3
56.09888	0.4
57.03303	0.5
59.00963	0.7
59.01240	7.3
68.08736	0.4
71.01237	10.6
72.99165	1.2
73.02811	1.0
73.30884	0.3
75.00723	0.6
77.51299	0.3
78.02042	0.4
79.65588	0.4
81.29121	0.3
83.01233	2.2
84.02020	0.7
85.02812	1.4
87.00729	17.5
99.00730	2.3
111.00740	3.9
113.02310	1.2
115.00230	60.7
115.03543	0.9
116.00552	1.0
122.03602	0.8
136.05234	0.6
139.00243	6.0
157.01312	9.2
173.04468	0.5
175.02383	100.0
175.08646	1.1
176.02718	3.1
183.13802	1.0
211.13348	2.6
223.13409	0.8
225.14902	2.2
235.13373	1.1
237.14969	1.1
241.14427	4.1
247.13217	0.7
253.14537	1.3
253.18121	0.7
259.13382	0.5
261.14941	3.5
265.14432	1.1
269.13959	6.6
270.14258	0.6
279.16171	0.6
281.14020	0.6
283.15527	0.8
287.15161	5.2
289.14395	1.4
298.01221	0.7
307.12003	0.6
307.15494	7.0
308.15823	0.7
325.16687	0.9
327.14478	7.5
328.14688	0.6
351.14536	2.7
367.14038	3.1
368.14807	0.7
387.10840	0.7
387.16275	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	387.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.2
57.03317	0.7
58.90268	0.2
59.00074	1.9
59.01241	100.0
59.02272	1.1
59.02608	0.6
60.01578	0.6
60.18557	0.2
65.09354	0.2
69.32556	0.2
71.01238	4.9
72.99171	0.2
73.02810	1.9
76.68223	0.1
80.03197	0.2
80.10524	0.2
83.01228	1.1
85.02804	3.3
89.02296	0.5
95.01251	0.4
97.02845	0.2
99.00742	0.8
101.02302	4.9
113.02312	2.5
115.87672	0.2
118.65461	0.2
125.02314	10.0
126.02678	0.3
133.96327	0.2
137.06015	0.2
143.03374	0.4
149.02332	0.9
159.02927	1.0
161.04460	6.2
161.05814	0.3
165.09064	0.5
206.51300	0.2
225.04010	0.6
272.11053	0.2
287.07721	0.3
327.14517	6.9
328.14828	0.4
362.18994	0.2
376.10675	0.2
387.09543	0.8
387.16708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09874	0.5
57.03304	0.5
59.00975	0.6
59.01242	8.4
59.98288	0.4
61.98684	1.5
71.01237	12.8
72.06083	0.4
72.99173	1.0
73.02798	1.7
80.83222	0.4
83.01228	2.4
84.02021	0.6
85.02798	1.7
87.00203	0.8
87.00729	16.5
87.02728	0.5
99.00744	2.0
101.02306	0.8
108.01992	0.6
111.00734	3.9
112.98632	0.6
113.02316	1.2
115.00236	56.4
115.03320	0.9
120.99509	0.6
122.03609	1.4
129.01852	0.6
134.03604	1.6
135.04364	0.6
136.05156	1.5
137.02296	0.6
139.00250	7.0
149.05959	0.6
150.03142	0.5
157.01315	9.6
175.02386	100.0
176.01282	0.5
176.02676	2.4
185.06230	0.5
191.14310	0.5
193.05017	2.0
211.13347	1.8
219.13824	0.6
223.13269	0.9
225.14943	2.5
227.16406	0.6
235.13406	1.2
237.14928	1.7
239.16513	0.6
241.14377	3.9
247.13387	2.1
250.62999	0.5
253.14435	1.7
253.18169	0.9
255.16035	1.1
261.14966	6.2
262.15240	0.6
263.13004	0.9
265.14417	0.9
269.13925	6.0
271.15848	0.5
279.16043	1.2
283.15247	0.7
284.03372	0.7
287.14972	4.5
288.15506	0.6
289.14493	2.5
298.01257	0.6
302.27322	0.6
307.12164	0.5
307.15527	10.3
308.15906	0.8
325.16623	1.3
327.14511	8.3
328.14871	0.9
351.14398	2.4
369.15616	0.8
387.16528	2.8
387.23846	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	387.1662
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01759	0.5
57.03314	1.0
58.99891	0.7
59.01242	100.0
59.02417	2.0
60.01577	0.8
66.52283	0.3
69.77144	0.3
70.99507	0.3
71.01240	26.6
71.02825	0.5
71.04872	0.4
72.99173	0.5
73.02805	8.4
75.00731	0.5
79.08073	0.3
83.01234	3.4
85.02805	11.2
87.00732	1.1
89.02307	2.3
91.72685	0.3
95.01251	2.2
96.02036	0.5
96.95885	0.3
97.02788	0.7
99.00748	3.3
101.02303	16.9
101.51436	0.4
109.02810	1.0
113.02306	14.6
115.03855	0.4
120.99503	0.9
121.02815	0.4
121.06518	0.5
122.03616	0.4
123.08036	1.7
124.05166	2.1
125.02323	0.6
135.04489	0.4
137.99591	0.3
143.03333	2.1
143.34547	0.3
147.08034	0.7
149.05981	1.3
150.03116	0.3
150.06671	0.5
153.01826	0.9
158.42896	0.3
159.02927	4.7
161.04449	45.8
162.04788	1.0
162.06726	0.7
164.08357	3.6
165.09119	9.8
165.10497	0.7
166.09393	0.5
179.05470	0.3
184.47450	0.3
189.01863	0.8
191.03397	0.4
205.03572	0.6
225.07741	0.5
232.74557	0.3
282.25293	0.3
290.93863	0.3
327.14383	1.2
343.04309	0.5
366.54355	0.4
378.86243	0.8
387.16379	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2178
Annotation	Tanghinigenin
Peak:m/z	Relative Intensity
59.01237	2.7
80.17244	0.4
83.04895	0.7
83.22121	0.5
84.74522	1.9
92.02546	1.2
95.01218	0.6
106.04106	3.6
107.04910	1.9
108.02058	0.7
111.04421	0.8
119.04896	13.1
121.02806	7.0
123.04428	0.7
127.45825	0.6
132.25624	0.5
133.02885	0.6
133.06483	4.5
134.03668	1.0
135.04437	2.3
135.46228	0.5
141.01613	1.4
145.02856	0.5
161.02350	1.3
161.09604	1.9
167.32550	0.5
175.11284	1.2
189.12761	1.2
203.14391	1.5
231.17474	1.7
259.17001	0.8
275.71283	0.5
285.76874	0.6
299.23807	82.7
300.24124	6.9
315.23218	3.0
325.22031	2.7
325.25208	0.9
343.22815	12.7
343.26520	1.7
344.23013	0.8
344.29282	0.7
378.69894	0.6
387.21750	100.0
388.22208	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00023	0.4
59.01243	17.7
59.02264	0.4
59.43759	0.3
61.98691	0.7
66.74677	0.3
71.01228	0.6
83.04879	0.6
85.64864	0.6
122.03593	0.4
124.62847	0.4
142.45387	0.3
143.72459	0.4
152.88438	0.3
165.68137	0.4
187.96562	0.6
305.24872	100.0
306.25186	4.5
361.95773	0.4
363.87881	0.4
387.25208	16.8
388.25620	1.0
391.80194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2543
Annotation	Plakortolide I
Peak:m/z	Relative Intensity
53.99556	0.7
54.69258	0.7
58.72730	0.7
65.03791	1.3
79.01781	0.9
79.05408	0.7
81.07273	0.8
82.07472	0.8
83.04866	0.8
90.85168	0.8
91.06455	1.1
93.03305	8.2
95.04854	1.4
104.57726	0.8
107.04888	48.2
109.02840	1.0
111.04401	0.9
119.04892	0.9
121.02840	6.8
122.03652	1.1
134.03639	1.0
147.04405	1.3
231.17351	1.0
343.26431	49.5
344.26721	2.8
369.24298	2.6
387.25446	100.0
388.25739	5.7
402.11377	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
80.37859	1.5
80.38353	0.6
85.06455	0.5
92.02519	2.1
106.04113	7.1
107.04916	4.7
108.01978	0.7
113.93732	0.5
119.04893	20.3
121.02819	6.0
133.06468	5.9
161.09651	1.1
175.11130	1.2
189.12730	0.9
217.16023	0.5
221.31094	0.5
229.16005	0.7
243.17590	0.8
245.19070	1.2
249.97307	0.5
257.19049	1.6
263.46906	0.5
271.20697	83.5
272.21014	3.8
285.22168	0.6
323.23740	1.0
325.25391	17.3
326.25693	1.2
343.26236	2.6
365.37076	0.5
387.25449	100.0
388.25818	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	387.2544
Annotation	7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
Peak:m/z	Relative Intensity
52.37503	0.4
52.63764	0.4
55.21606	0.4
55.76514	0.4
58.32260	0.4
59.01221	0.4
60.12383	0.5
61.27236	0.4
66.25592	0.4
74.11011	0.4
75.17734	0.4
75.98374	0.4
78.07648	0.6
82.53786	0.4
88.55572	0.7
88.56084	0.5
92.02525	1.1
106.04099	4.9
107.04918	3.1
119.04898	13.2
119.05752	0.8
121.02831	5.3
133.06473	4.3
147.10767	0.5
156.70258	0.6
161.09650	0.9
175.11247	0.8
189.12767	0.9
203.14337	0.9
217.15891	0.5
231.17513	20.2
231.67830	0.5
232.17860	0.9
243.17416	0.8
245.19003	1.3
252.42870	0.6
257.19113	24.2
258.19397	1.0
259.20822	0.6
271.20541	0.7
281.16006	0.5
281.18970	0.6
316.10736	0.5
316.20221	0.5
323.23779	1.2
325.25378	25.9
326.25729	1.7
331.02277	0.5
343.26364	2.3
387.25443	100.0
388.25790	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	387.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63681	0.3
52.16603	0.2
53.98066	0.3
57.03295	1.1
60.67429	0.3
73.56916	0.9
74.00238	0.4
91.07001	0.3
92.02523	1.4
106.04098	6.5
107.04919	2.4
108.02059	0.4
109.02785	0.4
111.08015	0.6
113.09588	3.5
119.04892	13.0
121.02817	4.8
125.36980	0.3
133.06461	4.0
133.10144	0.4
161.09587	0.5
163.03917	0.6
167.07484	0.3
175.11230	0.9
189.12650	0.4
202.44284	0.4
203.14359	1.4
217.15895	3.8
229.15936	3.0
231.17508	45.2
232.17856	1.8
243.17535	10.9
244.17824	0.8
245.19128	3.0
259.17072	0.6
276.81024	0.3
315.27002	0.8
323.23792	0.8
325.25388	14.4
326.25696	0.9
343.26431	12.4
344.26733	1.3
387.25430	100.0
388.25787	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	387.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61782	0.3
55.82778	0.3
57.03315	1.4
83.04856	0.8
85.06461	0.8
86.69836	0.4
87.42371	0.3
91.06420	1.2
91.07025	0.5
92.02528	1.6
93.65612	0.3
99.08017	5.2
103.12311	0.4
106.04106	6.5
107.04898	0.8
108.02034	0.7
113.09586	2.5
119.04884	8.7
121.02817	4.9
133.06471	2.9
133.07289	0.4
149.21893	0.4
161.09650	1.0
175.11249	1.0
189.12843	0.7
203.14413	2.0
217.15959	4.3
229.16008	1.6
231.17480	7.9
243.17575	4.5
245.19098	5.4
247.16972	0.9
257.19092	0.9
259.20679	7.9
273.18628	3.5
273.21921	0.8
289.21725	10.5
289.24768	0.7
290.22040	0.6
301.21774	2.9
325.25323	1.6
343.26428	61.0
344.26746	5.4
384.34879	0.5
387.25430	100.0
388.25742	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	387.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99891	0.8
59.01242	100.0
59.02407	2.1
60.01593	0.4
61.98698	0.8
63.14758	0.3
63.15408	0.4
67.00173	0.3
77.51033	0.3
79.76640	0.4
116.08862	0.4
119.04945	0.5
122.03369	0.3
125.02338	0.3
141.01624	0.9
141.41344	0.4
171.60748	0.3
231.17651	0.4
257.19281	0.9
387.25436	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	387.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	11.6
61.98716	5.4
104.52287	1.9
121.02844	1.9
141.01596	3.7
142.86139	1.8
151.03937	4.1
161.04541	3.2
162.03157	2.8
164.08365	2.6
167.03476	3.4
177.01956	6.1
178.02641	6.1
179.03415	2.5
180.04291	1.9
188.80038	1.8
192.04253	3.2
193.05086	7.1
251.23798	89.4
252.24255	5.2
271.41318	1.9
295.22778	48.2
296.23062	3.6
313.23859	100.0
314.24310	6.4
338.79443	2.2
344.49515	2.1
387.10837	3.3
387.22296	4.3
387.27432	46.7
388.27652	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	387.2906
Annotation	(2E,6S)- 6-[(1R,3aS,5Z,9R,10Z,12aR)-1,2,3,3a,4,7,8,9,12,12a-Decahydro-9-hydroxy-3a,6,10-trimethyl-1-cyclopentacycloundecenyl]-2-methyl-2-heptenoic acid
Peak:m/z	Relative Intensity
50.53741	0.3
59.01170	0.3
60.61028	0.3
72.75832	0.4
74.09489	0.3
81.01603	0.4
91.07254	0.6
91.07871	1.3
92.02421	1.3
93.03202	0.6
106.04105	4.3
107.04773	1.1
108.01936	0.8
119.04894	11.5
119.05671	0.5
121.02816	9.3
121.03619	0.5
133.06479	3.8
134.03442	0.5
155.45177	0.4
161.09511	1.2
161.61806	0.4
175.11073	1.6
189.12735	2.2
189.59251	0.4
191.05469	0.4
203.14214	1.1
217.15866	1.0
218.54651	0.4
231.17464	1.8
309.54626	0.3
325.25479	0.5
329.78088	0.4
343.26926	4.1
343.30063	100.0
344.26633	0.7
344.30383	7.6
387.29135	82.2
388.25119	0.6
388.29535	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	387.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27169	0.3
55.59279	0.3
59.00140	1.6
59.01241	100.0
59.02519	1.8
60.01582	0.6
61.98693	5.2
64.58613	0.4
77.69303	0.3
79.95589	0.4
83.04879	0.3
85.02817	0.7
89.02335	0.4
93.03332	0.5
101.02289	0.4
102.64591	0.4
107.04882	1.5
117.03317	2.5
119.04890	3.3
121.02851	1.0
123.04409	0.3
145.02832	13.2
146.03098	0.3
163.03918	2.6
173.04460	0.4
175.02510	0.4
191.05554	5.0
241.18172	0.7
243.17613	0.4
255.02904	0.4
261.18616	0.6
268.56042	0.3
297.28027	0.4
305.17627	2.4
327.29016	0.4
343.26566	1.2
375.68185	0.4
387.08411	0.5
387.12823	0.7
387.21649	4.7
387.25708	1.2
388.22501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70884	0.1
54.22449	0.1
57.16734	0.1
59.01244	0.3
61.97227	0.8
61.98693	100.0
61.99961	1.8
62.98396	0.2
62.99121	0.1
69.33994	0.1
71.01249	0.2
163.11234	0.4
244.08107	0.1
266.04858	0.1
329.60403	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	388.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	1.1
61.08597	0.2
61.97223	0.7
61.98692	100.0
61.99958	1.9
71.01246	0.6
72.99158	0.2
73.02811	0.2
75.00739	0.2
78.95772	0.4
83.01262	0.3
88.03900	0.4
89.02304	0.5
93.03323	0.4
95.16631	0.2
96.95866	1.7
96.96844	0.5
98.95460	0.2
101.02322	0.5
113.02332	0.3
113.07116	0.2
115.00263	0.3
120.99531	0.4
121.02881	0.2
127.00353	0.2
128.03423	0.5
137.02313	0.4
138.56358	0.2
138.98486	0.5
163.03896	0.3
171.10199	0.3
173.04466	1.5
174.04805	0.4
181.08694	0.3
189.05525	0.3
193.05042	0.2
288.71127	0.2
311.61298	0.2
387.13065	0.3
388.13181	0.7
389.14951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72850	0.2
59.01235	1.5
60.60826	0.2
61.97417	1.8
61.98693	100.0
62.00121	1.1
65.41241	0.2
71.01239	0.8
73.02800	0.3
74.02330	0.2
77.07876	0.2
83.04834	0.2
88.03878	0.4
89.02316	0.7
93.03294	0.5
96.95876	1.8
96.96853	0.6
101.02345	0.3
113.02324	0.2
115.00246	0.3
115.08543	0.2
119.03430	0.2
120.01065	0.2
120.99502	0.3
125.02264	0.3
127.00216	0.2
127.04966	0.2
128.03389	0.5
138.98486	0.4
149.42447	0.2
173.04480	1.4
174.04843	0.3
189.05519	0.2
191.05602	0.3
192.07443	0.2
213.07707	0.3
248.79301	0.2
344.73926	0.2
387.12793	0.4
388.13004	0.7
389.14468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19102	0.2
51.64890	0.2
57.26004	0.2
59.01243	2.6
60.80281	0.2
61.97253	1.1
61.98692	100.0
61.99961	1.9
64.32665	0.2
71.01276	0.3
77.44419	0.2
82.73022	0.2
83.41155	0.2
89.98402	0.2
102.90678	0.2
103.85032	0.2
109.02818	0.5
126.61768	0.2
134.03696	0.2
153.01886	0.4
161.04425	0.3
162.03160	0.2
162.04607	0.2
163.11136	0.2
164.08347	0.6
165.09032	0.2
175.07718	0.2
179.64276	0.2
191.15314	0.3
311.03516	0.2
346.01672	0.2
359.15302	0.5
389.12445	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.8
59.01243	8.3
61.98687	0.9
69.03332	0.6
71.01241	1.4
78.95772	2.5
79.95591	1.3
81.03321	3.0
83.01225	2.9
85.02831	0.9
89.02316	0.9
92.97543	0.4
93.03316	1.9
95.01243	1.6
95.04884	1.8
96.95869	41.7
96.96787	6.0
97.02804	4.6
97.95814	1.7
98.02311	1.0
98.95454	4.7
98.96268	0.7
99.00716	0.8
101.02320	1.4
107.04902	0.6
109.02809	9.4
111.04370	4.7
111.66592	0.5
113.02306	0.5
120.39366	0.4
121.02824	2.3
121.06505	0.9
121.66670	0.4
123.00764	3.7
123.04396	1.7
124.01510	2.7
124.98627	0.7
125.02312	59.6
126.02650	2.0
131.04936	0.5
133.02850	0.5
133.06488	1.0
135.04387	1.7
137.02322	19.5
138.03067	1.6
139.03893	15.9
140.04187	0.8
145.02779	0.5
147.04451	0.8
149.02333	1.0
149.06000	2.1
151.03873	2.1
155.03384	0.5
159.04404	1.9
161.02362	2.5
162.03082	0.8
163.03928	1.1
163.07603	0.5
164.01051	4.7
165.01834	16.5
165.05464	1.1
165.09163	0.7
166.02472	0.7
167.03397	15.2
167.07086	0.9
171.10078	0.8
173.04491	0.5
173.06000	1.5
175.03915	2.8
175.07556	1.1
176.04668	0.6
177.01907	3.4
177.05476	5.8
178.02621	1.3
179.03409	13.8
180.04039	0.4
181.04947	1.0
189.01967	0.6
189.05492	0.9
190.02385	0.5
190.06152	0.5
191.03421	0.6
191.05498	0.5
191.07053	1.5
201.05507	1.7
203.03383	3.8
204.04237	2.8
205.04997	2.2
208.06099	2.2
209.08301	0.9
218.05734	0.8
219.06586	14.3
220.06119	2.1
221.04515	8.5
221.06558	0.6
233.08171	0.8
237.07799	0.5
243.06628	1.3
245.04498	0.7
245.08156	0.5
247.02441	1.2
248.05692	1.3
261.07727	5.0
262.07324	1.4
263.05551	0.9
287.05511	1.0
289.07275	2.8
290.07556	0.9
304.92856	1.0
305.06680	100.0
306.07077	6.3
329.16229	0.4
344.11505	1.4
388.10321	24.7
389.10345	1.1
389.14545	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	388.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79893	0.2
54.30402	0.2
54.92843	0.2
58.00463	0.8
58.99897	0.8
59.01242	100.0
59.02410	1.8
61.98700	1.0
64.83322	0.2
72.99191	0.3
74.79518	0.3
75.59211	0.2
91.18656	0.3
96.26157	0.2
98.82211	0.3
99.00778	0.5
117.48999	0.2
173.83411	0.3
191.46184	0.4
194.89345	0.3
209.19075	0.3
211.20628	1.8
233.19180	0.5
237.18668	0.3
239.20131	4.1
241.21696	1.9
251.20164	3.0
267.19617	0.3
269.21237	16.0
270.21606	0.6
280.22836	1.5
281.21014	1.3
298.23883	19.3
299.24292	0.9
389.27386	0.3
408.94556	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88455	0.7
59.00968	1.1
59.01242	15.8
61.98691	2.9
66.86263	0.7
68.89352	0.7
71.01233	1.8
72.99167	0.9
73.02778	0.9
85.80015	0.7
107.04924	0.8
108.02083	0.7
109.02796	1.3
110.72391	0.7
111.00719	1.2
124.01514	2.6
125.02351	0.8
129.98419	0.9
133.02887	1.6
137.02318	4.2
138.03174	1.1
138.92114	1.0
150.03116	22.5
151.03905	9.7
152.01039	21.5
153.01768	2.7
161.02242	1.6
162.03120	26.1
163.03935	5.3
165.05455	16.0
167.03397	13.4
167.07074	1.3
175.03870	1.9
177.01793	1.6
177.05476	6.0
178.02617	2.4
179.03413	20.7
180.04198	62.4
181.04747	1.5
193.04984	3.2
194.05762	4.9
195.06555	100.0
196.06908	2.3
213.95676	0.9
217.16034	0.9
271.13605	1.1
289.91116	0.9
301.14609	1.2
329.10132	1.0
374.10330	4.5
389.12354	19.6
389.17099	1.5
390.12534	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12727	0.7
57.40720	0.9
59.01241	33.3
71.01242	4.5
72.99176	0.8
73.02823	1.2
79.71261	0.9
83.01276	0.9
85.02811	1.0
89.02292	3.1
91.73331	1.8
93.03321	6.0
95.01271	1.0
101.02312	3.8
102.66747	0.9
105.01810	1.6
107.04918	1.1
108.02053	4.7
109.02827	3.6
111.00799	1.1
113.02298	2.1
117.03355	1.5
119.03423	0.9
119.04877	1.8
121.02826	24.6
122.02912	1.0
122.03622	11.9
123.04372	2.9
124.01550	1.8
133.02823	3.2
134.03610	70.5
135.04370	4.1
136.01537	2.0
137.02316	8.7
138.46480	1.0
139.03905	3.0
146.03616	1.1
147.04405	2.0
149.02333	37.4
149.03516	2.2
149.05984	14.7
149.98460	1.3
150.03117	92.9
150.08311	1.1
151.03654	4.0
152.01083	1.4
153.01830	2.5
161.02318	2.7
161.04440	1.7
162.03139	2.6
163.03845	1.0
164.01013	1.3
164.04691	6.4
165.05470	100.0
166.05792	4.4
167.03355	1.2
177.05447	2.0
178.02626	29.1
179.03323	3.5
179.07130	1.6
180.04213	8.2
191.03391	1.0
193.04993	88.0
194.05383	4.1
195.06557	50.7
196.06898	2.9
216.61551	1.1
221.06050	1.8
223.07759	1.1
231.55524	1.1
233.06133	1.6
238.06418	1.9
239.07144	4.7
239.40230	0.9
244.16985	1.0
248.53674	1.0
250.06377	4.0
254.09256	1.3
254.86360	1.1
267.06671	4.9
282.08987	11.2
285.07693	1.0
294.05316	1.1
297.07980	1.7
297.11282	2.3
300.10013	1.2
326.08029	1.5
329.16205	1.5
341.10312	50.6
342.10782	5.2
359.11264	3.2
371.11847	1.4
389.12460	6.8
389.18173	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	389.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69378	0.6
57.03297	0.6
57.56417	1.4
57.56662	0.6
59.01241	30.2
60.96938	0.8
61.97335	0.7
61.98693	48.5
61.99889	0.9
62.98407	0.8
68.17358	0.5
71.01235	3.4
73.02806	1.7
85.02797	1.5
86.06987	0.7
87.00728	1.6
89.02313	1.6
93.03281	1.0
94.09531	0.6
95.01239	0.7
97.41556	0.6
99.00739	1.5
101.02299	3.0
107.01249	3.5
109.02801	3.8
111.00753	5.5
113.02291	2.4
119.01260	0.9
119.03353	0.7
119.34901	0.6
121.02796	1.0
123.00737	0.8
124.01524	7.1
125.02313	4.8
127.00253	1.1
129.01727	0.7
134.03624	1.8
135.00768	2.1
137.02339	5.3
138.03111	6.0
139.00256	2.7
139.03915	5.2
140.01041	2.5
141.01897	3.0
147.00633	0.6
147.04381	0.7
150.03185	1.6
151.03891	3.0
152.01039	100.0
152.09639	0.6
153.01836	12.3
159.02895	3.3
159.04332	1.1
161.02315	1.2
161.04462	1.6
162.03111	3.2
163.00262	14.9
163.03909	1.3
164.25606	0.6
166.02640	2.3
166.97488	1.1
167.03401	78.8
168.03752	2.1
174.03151	1.0
175.03937	2.3
176.04727	2.0
177.01880	3.2
177.05467	4.5
178.02631	7.0
179.03412	12.2
180.04155	1.1
181.04910	2.2
189.05518	2.1
189.82527	0.7
191.03392	2.0
192.04221	1.1
193.04999	9.3
195.02927	2.2
195.06584	1.2
203.03450	0.9
204.04205	1.1
205.05083	1.5
205.08479	1.0
209.00870	9.5
209.04454	1.4
213.05547	0.7
219.06523	1.0
225.05470	1.0
229.14482	0.8
241.05072	0.8
253.05020	1.3
281.04648	0.7
297.04163	1.3
314.08005	1.5
319.39230	0.7
329.10233	1.9
329.16141	1.8
341.10345	1.1
344.09265	1.0
359.07648	2.0
359.11401	2.4
371.07498	1.0
371.11703	0.9
374.10010	17.9
375.10498	1.7
389.12418	83.1
389.16183	3.6
390.12738	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	389.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82157	0.2
50.82381	0.3
59.01241	4.6
61.98695	1.1
65.07289	0.2
71.01255	0.5
89.02264	0.2
89.84915	0.2
93.03328	0.5
95.04948	0.3
97.02842	0.2
101.02332	0.3
107.04897	0.5
109.02816	0.5
111.00768	0.2
116.77142	0.2
117.03287	0.4
119.04951	0.4
121.02832	0.7
123.04395	0.4
124.01548	1.0
125.02342	0.3
133.02888	0.3
135.04414	0.4
137.02319	2.4
142.12823	0.2
145.02824	1.0
147.04028	0.2
150.03113	19.7
151.03909	11.2
151.05188	0.3
152.01065	0.4
152.04202	0.2
160.01453	0.2
161.02351	1.6
161.04419	0.3
162.03123	23.5
163.03906	3.7
165.05469	15.5
166.05823	0.3
167.03418	0.2
175.03952	0.9
177.01961	0.3
177.05501	5.1
178.02583	0.9
179.03409	17.4
179.97356	0.6
180.04192	61.7
180.10118	0.6
181.04497	1.7
193.04994	0.7
194.05774	5.1
194.98836	0.9
195.06554	100.0
195.13254	0.9
196.06900	3.8
329.16165	0.4
389.12479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14488	0.6
58.63551	0.4
59.00977	0.8
59.01244	10.9
61.98692	2.6
69.61506	1.0
69.61836	0.5
71.01241	14.0
73.02801	0.5
74.82051	0.4
85.02780	0.6
88.98642	0.6
91.53318	1.0
91.53870	0.9
91.73329	0.9
92.37582	0.4
93.03342	0.5
94.53041	0.4
99.00745	0.5
101.02285	1.0
108.02049	2.9
109.02824	3.2
111.00745	0.7
121.02822	5.6
122.03606	39.1
122.07274	0.6
123.04461	4.2
124.01514	1.6
133.06480	3.4
134.03641	2.1
135.04407	12.3
136.05217	2.1
137.02328	2.8
137.05937	0.7
147.04440	3.0
148.05186	5.6
149.05974	13.6
150.03111	1.5
150.06763	5.7
151.03918	1.0
152.01120	0.5
154.02621	2.8
155.96416	0.5
161.04463	0.5
161.05936	0.6
162.03113	1.8
162.06757	0.4
163.07536	1.1
165.05457	1.1
165.09076	1.2
167.03352	0.5
167.06990	0.9
174.03134	1.1
175.03941	4.5
176.04689	1.9
177.05473	0.8
177.09035	0.5
179.03418	1.8
180.04184	3.8
189.05470	1.2
191.07028	0.7
194.05791	4.1
195.06561	6.6
209.08136	46.9
210.08466	1.7
219.02902	2.4
223.09782	0.6
227.07130	3.3
232.03864	1.3
233.04507	5.5
234.05243	1.3
248.03284	1.0
253.07333	2.2
286.12177	4.7
301.14313	1.6
312.09784	0.8
327.12436	1.8
329.16156	1.0
345.13461	57.1
346.13828	3.1
371.11484	2.4
374.10074	0.8
389.12454	100.0
390.12793	6.4
405.16718	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1456
Annotation	Reptoside
Peak:m/z	Relative Intensity
55.01733	1.3
56.68543	0.6
56.96993	1.5
56.97220	0.6
57.03312	1.9
58.00443	0.9
58.42587	0.5
59.01243	52.6
59.02491	1.1
61.04051	0.5
71.01239	25.2
72.99163	1.5
73.02521	0.5
73.02807	5.9
74.98960	5.4
83.01249	4.9
85.02802	11.6
87.00734	2.2
89.02296	28.5
93.03317	2.8
95.01241	2.2
97.02795	0.9
99.00736	1.9
101.01648	1.4
101.02304	27.2
106.04115	0.9
107.04901	5.3
110.85896	0.6
111.00751	0.7
113.02308	13.3
119.03370	9.3
125.02343	0.6
131.03374	1.4
136.98994	4.9
143.03377	1.8
143.50990	0.6
147.08049	1.3
149.04410	0.8
149.05959	4.9
152.00981	0.8
159.02896	0.7
161.04489	4.3
167.07034	91.3
168.07378	2.6
177.52109	1.4
179.05527	3.8
191.07063	2.6
329.12442	100.0
330.12894	5.1
371.13504	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	389.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.3
58.63167	0.1
58.72429	0.1
58.99994	1.7
59.01242	100.0
59.02322	1.4
60.01571	1.2
61.01656	0.6
61.98696	0.4
62.68876	0.1
66.63538	0.1
71.01240	5.3
71.02686	0.1
72.99177	0.2
73.02807	2.2
75.00726	0.2
83.01234	1.0
85.02804	2.7
87.00744	0.2
89.02303	1.1
90.98451	1.2
93.03345	0.4
95.01276	0.3
96.95925	0.1
99.00734	0.8
101.02306	4.8
104.96709	0.1
109.02842	0.4
111.00777	0.1
113.02307	2.5
119.03383	0.4
121.02851	0.2
122.03595	0.3
125.02328	1.1
126.02688	0.4
127.02795	0.3
129.01784	0.1
135.04420	0.2
137.02339	0.3
137.05988	0.2
140.77528	0.1
143.03438	0.3
148.75475	0.1
149.02342	0.3
150.07883	0.1
153.01859	0.1
159.02904	0.7
161.04462	4.0
165.09123	0.7
167.07034	0.3
173.04468	0.9
178.99899	0.2
179.03482	0.2
183.04692	0.3
191.05530	0.2
191.07047	1.0
205.03491	0.1
215.09303	0.3
227.03940	0.1
271.98776	0.1
329.12543	2.6
329.16171	1.7
345.15674	0.5
389.09412	0.3
389.14453	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	389.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62100	0.3
53.12970	0.3
53.14370	0.2
55.89481	0.3
59.01243	9.3
59.89095	0.3
60.70065	0.6
61.98699	2.0
63.69058	0.5
63.88525	0.4
66.53458	0.4
67.08367	0.3
70.77230	0.3
71.01237	1.2
73.02817	0.8
76.62563	0.4
79.92852	0.3
85.02773	0.3
87.00720	0.3
91.73367	0.8
93.03300	0.8
97.91927	0.3
99.00736	0.5
101.02282	0.5
104.51959	0.3
104.88856	0.3
108.02029	0.4
109.02802	0.6
111.00767	0.6
113.02304	0.6
117.03318	0.6
119.04871	0.9
121.02814	5.9
122.03634	0.8
123.04392	0.5
130.04155	0.5
131.04898	0.4
135.04340	0.8
136.05159	0.6
137.02318	2.4
138.03119	0.5
139.00238	0.9
139.03944	0.4
145.02835	4.7
147.04413	5.5
150.03142	0.7
151.03877	1.6
152.01056	0.4
152.04660	0.5
153.01804	1.0
153.05421	0.6
158.03616	0.8
159.02904	0.4
159.04445	0.8
161.02353	0.6
161.05894	0.8
161.42529	0.3
162.03113	1.3
163.03900	10.2
165.01851	0.4
165.05467	1.0
167.07033	0.6
168.04115	0.5
173.02354	2.0
173.05896	0.9
174.03119	6.2
175.03915	29.0
176.04681	8.5
177.05507	3.4
179.02042	0.3
179.03378	1.8
179.07066	0.4
180.04192	8.1
181.04878	1.0
188.04706	5.2
189.05493	11.2
190.06276	31.4
191.03415	1.0
191.07056	23.8
192.04236	1.8
192.07378	0.8
193.04977	9.0
194.05746	4.3
195.06503	1.8
200.61354	0.3
203.07106	3.2
204.07675	0.7
205.08641	22.2
206.05782	0.6
206.08893	0.7
207.06564	6.9
208.07350	27.0
209.07764	0.7
222.08940	4.1
223.09705	2.1
227.11108	0.3
273.14969	1.1
301.14603	0.4
329.10275	0.7
344.12628	3.5
345.13394	1.5
359.15039	100.0
360.15390	6.4
389.12106	1.7
389.16626	0.5
389.25681	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38037	0.4
59.00037	1.8
59.01242	100.0
59.02604	1.1
60.01581	0.5
68.91949	0.5
71.01237	8.5
71.01591	0.7
73.02795	2.8
83.01250	1.0
85.02808	3.7
88.18990	0.4
89.02295	3.8
93.03323	1.2
95.01287	1.0
99.00762	0.8
101.02308	7.5
108.02077	0.8
109.02837	1.1
111.00738	0.5
113.02297	3.7
113.36945	0.4
116.34879	0.4
119.03403	2.0
121.02836	2.0
122.03622	1.1
125.02322	0.7
134.03625	4.7
135.04428	0.6
143.03236	0.5
143.04926	0.5
149.02309	3.2
149.06015	1.2
150.03116	8.2
153.01822	1.0
159.02931	1.1
161.04456	6.7
164.04704	0.6
165.05470	6.9
178.02634	3.0
179.07045	0.5
185.06056	1.3
193.05028	5.6
195.06512	3.0
223.07796	0.5
227.07094	8.6
227.09117	0.7
227.12950	1.0
228.07494	0.7
231.03032	0.9
239.07210	0.7
252.27652	0.5
282.08969	0.9
329.16046	14.5
341.10376	3.9
389.13068	0.9
389.18164	9.2
389.25772	0.6
394.25317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01981	0.1
57.03303	0.4
59.00114	1.8
59.01242	100.0
59.02544	1.5
60.01574	0.4
61.98706	0.2
67.06099	0.2
70.34579	0.2
71.01241	3.5
71.01593	0.3
72.99170	0.2
73.02802	1.5
75.00722	0.2
83.01250	0.5
85.02803	1.4
85.06457	0.3
89.02299	1.1
91.73431	0.3
93.03329	0.4
95.01259	0.3
98.81435	0.2
99.00761	0.6
99.04424	0.2
101.02296	3.6
108.02024	0.2
109.02828	1.7
113.02303	1.9
135.04408	0.3
137.02318	1.4
147.04387	0.2
158.03606	0.2
159.02948	0.4
161.04457	3.4
171.10268	0.6
173.04494	0.9
183.10182	0.4
191.05525	0.4
215.09201	0.4
217.05081	0.6
227.09334	0.6
243.86592	0.2
257.08310	0.3
267.06738	0.3
327.08768	1.6
329.16074	7.7
330.16684	0.6
331.60385	0.2
342.47159	0.2
389.14203	2.3
389.18539	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00072	2.1
59.01242	100.0
59.02596	0.8
60.01584	0.9
63.57735	0.4
73.02789	0.4
77.79042	0.3
86.19337	0.3
101.02305	1.0
102.50120	0.3
105.51159	0.3
113.02319	0.5
114.01889	0.4
128.61922	0.3
141.87514	0.3
151.67079	0.3
183.13803	0.4
196.41763	0.3
220.34598	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89790	0.2
56.48516	0.2
58.00466	0.5
59.00171	1.4
59.01242	100.0
59.02486	1.8
60.01580	0.9
71.01240	15.7
72.99171	0.7
73.02802	0.9
77.09254	0.2
81.03342	0.3
83.01253	0.7
83.08632	0.2
83.25499	0.2
85.02809	2.8
87.00754	1.0
89.02297	28.4
89.04594	0.4
90.02654	0.3
90.88236	0.2
94.54357	0.2
95.01264	0.8
99.00705	0.3
99.18867	0.2
101.02305	8.6
101.02946	0.5
106.29313	0.2
109.02825	0.9
111.00819	0.2
113.02308	7.3
119.03367	10.1
121.00107	0.2
131.03403	1.5
137.02310	1.5
142.85948	0.2
143.03381	1.8
149.04460	0.9
149.09659	0.4
159.03030	0.2
159.04393	0.3
161.02388	0.3
161.04456	3.5
167.10611	0.3
179.05524	7.3
179.07013	0.4
327.08749	0.4
329.16049	1.9
389.02020	0.3
389.18384	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2336
Annotation	Methyl ent-16-acetoxy-6-oxo-7,13E-labdadien-15-oate
Peak:m/z	Relative Intensity
59.00044	1.7
59.01242	100.0
59.02276	1.3
59.86721	0.3
60.01595	0.4
63.57151	0.5
66.37662	0.3
68.81685	0.4
69.82545	0.3
73.02811	0.5
79.95609	0.5
92.94848	0.4
96.95897	0.8
119.04942	0.4
158.26680	0.9
166.38495	0.4
192.00548	1.0
215.56859	0.4
237.16499	0.8
251.18135	1.0
253.19678	0.7
254.62669	0.5
297.18585	24.6
298.18893	0.9
315.19757	1.1
315.25290	0.9
315.78687	0.5
317.18707	0.5
329.21201	5.3
357.20819	5.1
389.23373	27.8
390.23773	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25161	9.3
59.01008	10.3
59.01250	100.0
61.98680	22.8
71.01228	11.7
78.36130	10.0
84.79925	11.7
122.31223	12.5
135.93466	12.9
137.02350	12.8
140.17725	16.2
152.00993	17.9
167.03354	19.3
206.73618	12.9
275.20261	12.1
310.71704	12.2
343.02686	12.4
345.28165	25.5
389.12564	25.5
389.27002	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2699
Annotation	4651-67-6
Peak:m/z	Relative Intensity
50.15167	0.3
51.72009	0.2
65.18044	0.2
71.69406	0.2
89.11491	0.3
91.56965	1.2
91.57578	0.5
108.02039	0.6
121.02834	0.4
122.00117	0.4
122.03601	30.0
123.03902	0.4
124.01546	0.9
135.04395	14.8
137.02345	1.2
149.05975	1.9
154.02571	1.3
177.09138	1.0
190.98180	0.3
191.10727	0.9
195.16653	0.3
200.26707	0.3
205.12285	2.1
219.13939	1.3
224.06114	0.3
231.17625	0.4
233.15442	0.4
247.17151	0.8
259.20609	0.4
275.20099	0.3
277.04031	0.3
301.70636	0.4
302.22604	0.3
308.36578	0.3
327.26862	0.6
345.28006	95.6
346.28305	6.8
364.47961	0.4
389.06912	0.8
389.27005	100.0
390.27310	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	389.2701
Annotation	4651-67-6
Peak:m/z	Relative Intensity
51.24123	1.2
54.06647	1.4
56.69320	1.7
59.01237	3.6
59.70237	1.4
61.98690	3.4
68.33868	1.6
122.03598	29.8
135.04411	12.3
137.02383	2.0
139.17015	1.9
149.05928	2.5
154.02629	2.3
179.76881	1.8
321.74435	2.0
345.27991	97.3
346.28366	7.4
386.88889	1.7
389.26999	100.0
390.27322	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	389.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	0.5
59.76706	0.4
73.78217	0.4
76.43365	0.3
76.62744	0.4
78.63454	0.4
82.98348	0.4
87.78600	0.4
91.37663	0.3
91.56927	1.2
91.57532	0.6
92.02531	1.4
93.03309	0.4
106.04118	6.4
107.04884	1.2
108.02036	2.3
119.04890	5.8
119.91782	0.4
121.02831	5.5
133.06461	1.3
146.81190	0.4
161.09608	0.7
163.11179	0.5
175.11229	1.2
189.12718	0.8
203.14403	0.7
231.17572	4.5
233.15422	1.3
247.17001	5.3
259.20627	6.0
275.20230	4.2
327.26959	20.3
328.27225	1.6
343.26578	2.0
345.28009	62.9
346.28265	3.0
389.27020	100.0
390.27417	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01004	1.8
59.01243	17.7
61.98693	2.6
80.38425	1.8
92.02531	3.0
106.04099	4.1
119.04906	6.8
121.02799	7.0
122.03695	2.1
144.11844	1.9
167.07138	2.0
175.11273	1.9
175.48645	1.9
189.12616	2.0
231.17503	7.7
234.75710	2.5
259.20639	8.5
261.18671	5.3
273.22278	2.9
275.20123	3.5
287.23761	3.1
315.26907	4.8
327.26974	32.0
328.26816	2.1
343.26346	5.7
345.28021	46.9
346.28326	4.0
389.26990	100.0
390.27103	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	389.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68896	0.6
59.01243	6.7
61.98687	1.4
65.82958	0.7
85.06451	1.4
92.02536	1.3
106.04097	3.5
107.04873	1.2
119.04893	8.0
121.02825	5.5
133.06464	1.9
175.11205	0.9
189.19705	0.8
203.14310	1.5
214.07887	0.9
231.17551	1.3
247.20694	1.6
259.20688	35.5
260.21188	2.2
273.22351	1.2
275.20175	11.4
276.20422	0.9
327.26965	45.3
328.27396	3.5
343.26501	3.2
345.28000	15.6
373.09247	0.9
389.27017	100.0
390.27338	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	389.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48528	6.5
55.40821	7.3
57.51152	7.4
59.01245	71.3
91.73405	10.7
110.96095	8.4
152.01091	10.6
163.66139	9.1
167.03391	9.3
203.14288	16.0
327.26990	42.3
345.27841	21.3
389.26910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02695	0.2
73.30698	0.2
91.56950	0.9
91.57566	0.5
91.71117	0.3
93.03301	2.0
108.02033	22.5
108.05025	0.3
109.02302	0.2
121.02822	34.6
121.06336	0.4
122.03626	9.7
123.04380	0.8
134.03624	2.1
135.04385	1.4
152.01041	2.8
160.35139	0.3
161.16650	0.3
163.07526	0.3
177.09145	0.3
191.10669	0.4
192.11360	0.3
205.12256	0.3
206.13051	0.4
219.13913	0.7
220.14641	0.7
233.15433	0.4
246.16322	0.4
247.16998	0.5
248.17807	0.8
266.00165	0.3
275.20081	0.4
277.04242	0.2
288.21002	0.5
301.21814	0.4
302.22592	0.9
316.23999	0.4
343.26587	0.5
344.27222	18.6
345.28000	100.0
346.28308	7.3
377.26956	0.4
389.27011	82.5
390.27292	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	389.2701
Annotation	4651-67-6
Peak:m/z	Relative Intensity
50.15179	0.4
51.77855	0.3
51.89584	0.3
62.08399	0.4
72.16613	0.4
79.52223	0.4
91.56966	1.5
91.57580	0.8
93.03333	0.5
108.02048	1.3
121.02825	5.5
121.99677	0.4
122.03618	27.8
122.07056	0.6
124.01517	1.0
135.04410	12.8
135.05473	0.6
137.02357	1.5
149.06000	1.8
152.01076	0.6
154.02580	2.0
177.09100	1.1
191.10770	0.7
205.12291	2.2
219.13959	1.0
231.17520	1.2
247.17195	1.5
259.20724	0.9
261.18707	0.5
275.20245	0.9
327.26950	1.6
344.27200	1.3
345.28015	92.9
346.28363	4.8
389.27011	100.0
390.27371	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	389.2703
Annotation	4651-67-6
Peak:m/z	Relative Intensity
52.05243	1.7
52.85683	1.3
55.53769	1.5
56.16722	1.4
58.16789	1.4
58.22567	1.4
59.01238	26.7
61.98689	2.6
62.69631	1.4
63.11890	1.5
83.55412	1.9
92.02518	2.0
101.99326	2.0
103.21367	1.7
106.04091	6.1
112.52723	1.7
119.04893	7.3
121.02819	8.7
121.90534	1.9
122.03563	2.1
133.06425	2.5
141.01550	5.6
143.02065	2.8
166.00835	1.9
231.17549	16.2
247.16971	2.3
259.20679	10.5
275.20190	7.2
286.91714	2.2
327.26984	26.7
344.26907	2.5
345.28003	38.5
346.28357	4.1
389.26959	100.0
390.27277	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	390.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41346	0.5
58.90999	0.3
59.01235	0.9
61.97322	1.4
61.98693	100.0
61.99877	1.4
75.00708	0.4
75.45069	0.3
77.03842	0.5
89.02312	0.4
91.63929	0.5
91.73290	0.4
92.27886	0.4
93.03326	1.3
95.04883	0.4
100.16959	0.4
100.30849	0.4
104.05708	0.4
107.04914	0.6
121.02818	7.7
122.03185	0.5
134.69530	0.4
134.99117	0.4
135.04404	0.6
137.02330	1.0
141.49260	0.4
164.01076	0.9
165.01830	81.2
166.02138	1.9
179.03523	0.6
179.29449	0.4
179.89450	0.4
194.41068	1.1
196.23152	0.4
201.21130	0.4
207.02902	2.8
327.07233	60.7
328.07620	2.8
413.63654	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46328	1.4
50.98080	0.7
57.00499	0.8
58.02835	12.6
58.98011	0.9
59.01233	2.8
66.03343	1.0
72.00755	1.1
72.87613	0.8
74.02325	21.8
74.02716	1.6
74.98933	1.1
81.04401	1.3
82.02841	3.1
84.04398	1.5
85.06395	0.8
86.02320	9.8
86.05965	1.4
87.05485	7.0
88.05516	1.0
90.00043	1.7
91.38992	0.8
93.59777	1.0
97.03920	2.2
98.05949	1.1
99.05501	21.9
101.07066	3.8
102.05460	3.1
107.05997	1.1
109.03954	3.3
111.05457	1.5
112.03900	3.8
115.03873	1.3
116.01624	0.9
116.28936	0.9
120.01132	2.9
123.04453	2.2
123.05518	2.9
125.03426	3.1
127.04993	5.5
128.03404	56.3
128.07100	1.2
129.99583	1.4
131.04472	1.2
135.05481	5.1
137.07068	2.3
141.06554	6.4
143.04503	89.3
144.04834	1.4
145.06082	3.9
146.04510	8.4
153.06549	5.7
160.00635	19.0
165.05507	1.2
166.09784	3.8
167.04533	4.1
167.08147	4.4
170.03212	1.6
175.06044	3.8
176.06360	2.6
177.03291	9.2
179.04523	18.8
181.06036	2.8
185.05580	2.9
189.00783	1.6
192.07753	1.7
197.05557	2.6
198.08842	1.4
210.08777	17.5
228.09933	1.3
242.07799	1.7
251.85126	1.1
254.07809	28.3
255.08035	1.3
264.57443	1.1
272.08905	40.5
273.09296	1.4
288.06711	14.9
306.07669	100.0
307.07877	3.0
390.13556	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	390.1926
Annotation	Roquefortine D
Peak:m/z	Relative Intensity
55.08751	0.3
59.01241	4.6
61.98688	0.8
62.62337	0.2
68.01268	0.4
68.99314	0.5
68.99677	8.4
70.02811	0.4
71.01255	1.8
72.00779	0.5
73.25015	0.5
73.25349	0.3
74.02330	0.4
80.04929	0.5
80.73763	0.3
81.02051	1.3
82.02823	0.4
82.99976	3.7
83.04870	0.3
84.00753	0.4
85.01571	0.5
85.02789	0.4
92.04914	0.5
94.06481	3.9
94.80136	0.3
96.00743	0.4
96.99168	4.5
97.99942	0.3
99.00161	0.6
99.00741	5.5
101.02287	0.3
104.56210	0.3
106.06484	0.3
108.04425	0.6
108.98464	0.4
109.01556	24.9
110.02335	0.4
111.03084	0.4
112.00209	0.4
112.03873	0.3
113.01058	2.6
114.01832	0.3
120.04430	0.4
121.05176	0.9
122.06006	1.7
123.07994	0.3
124.00276	1.8
125.01102	0.5
126.01828	0.3
128.03394	0.4
134.05975	0.7
136.03958	0.3
137.01096	2.3
137.09579	0.6
139.02643	0.7
140.03401	3.8
143.04918	1.5
144.05214	1.2
146.06006	0.4
147.11638	0.3
149.04683	0.9
150.05499	0.6
160.08432	0.5
173.03143	0.6
177.04219	0.5
182.07127	0.4
183.08060	0.8
184.08388	0.9
185.05974	2.7
186.06374	3.1
190.04999	1.6
199.04839	0.7
200.05608	1.1
201.16617	0.5
217.15919	0.5
227.07092	15.8
228.07437	29.5
229.07724	1.1
230.15590	0.6
237.65038	0.4
244.17064	0.8
245.15463	0.6
246.18639	0.4
250.07195	4.4
256.17081	0.5
257.15530	1.0
258.15210	0.8
258.18585	0.8
272.16669	0.5
274.18097	2.8
284.16608	0.9
286.14822	0.4
286.18069	0.8
287.15335	0.8
302.17694	4.2
314.14136	0.6
315.14648	0.7
330.17130	21.2
331.17621	1.3
374.16422	0.5
390.19250	100.0
391.19580	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	391.1039
Annotation	Garcimangosone D
Peak:m/z	Relative Intensity
55.16902	0.3
57.03322	0.5
58.99891	0.9
59.00221	1.2
59.01243	100.0
59.02408	1.9
60.01579	0.8
61.98694	1.1
65.00184	0.5
71.01243	5.4
72.02031	0.8
72.99168	15.7
73.02806	1.7
74.67435	0.4
74.98932	0.9
75.00733	0.5
83.01257	0.8
85.02795	2.2
87.00726	1.3
89.02308	5.2
93.03294	0.5
93.94461	0.4
95.01231	0.5
99.00737	1.4
101.02293	4.0
107.01264	0.7
107.04890	0.8
108.02032	16.4
109.02835	7.1
113.02303	2.6
117.03366	0.5
119.03369	2.6
119.04873	2.7
121.02784	1.8
122.03616	1.1
123.04390	17.8
124.94800	0.4
125.02296	0.5
133.06502	0.4
134.03610	1.6
135.04375	0.6
136.01543	21.6
136.99011	0.4
137.02298	1.4
137.05945	0.7
138.03050	1.5
143.04906	0.7
145.02850	2.3
146.03604	1.1
147.04404	0.5
149.02394	0.4
149.05962	1.3
150.03125	3.5
151.00330	2.6
151.03896	24.3
157.78426	0.9
159.04407	1.9
161.02325	1.1
161.04454	3.3
161.05977	3.1
162.03123	17.8
163.03738	0.6
164.04692	0.8
165.05479	2.0
175.03882	0.6
177.05484	32.1
178.02637	0.8
178.05820	1.1
179.05498	1.3
179.07060	1.1
180.04216	1.0
185.05995	1.0
192.04292	0.5
193.05043	2.4
195.06557	4.3
204.99870	0.6
205.04970	0.6
207.06566	0.9
209.08162	7.1
211.06134	2.3
219.06557	0.6
229.05042	13.6
229.08459	2.0
230.05344	0.6
241.08647	0.5
243.10220	1.3
269.08249	0.5
271.09680	0.6
301.10846	8.7
302.11401	0.5
315.08768	4.0
329.10226	3.4
330.30301	0.7
331.17642	10.6
343.11905	2.1
350.16284	0.4
361.12854	0.9
376.11734	0.6
391.10306	34.4
391.19217	7.2
392.10434	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	391.1039
Annotation	Chemomicin A
Peak:m/z	Relative Intensity
51.12891	0.5
57.03309	1.0
58.99923	0.8
59.01243	69.1
59.02421	1.3
61.19093	0.6
68.99677	7.8
71.01245	4.8
71.92588	0.6
72.99167	42.5
73.00802	0.7
73.02805	1.0
75.00729	3.5
78.45931	0.5
83.27000	0.6
85.02797	1.7
85.42536	0.8
87.00729	2.4
89.02312	3.3
91.73275	1.0
99.00761	0.9
99.04401	0.8
101.02299	3.7
103.20435	0.6
108.02032	62.9
109.02844	12.4
113.02311	2.0
119.03387	1.4
119.04917	0.7
121.02827	3.5
123.00754	1.9
123.04369	1.8
123.95886	0.6
124.01534	1.2
125.02332	0.8
134.03600	1.8
134.98796	0.7
136.01556	0.7
137.02327	2.8
138.03107	9.9
140.14133	0.7
140.96114	0.7
143.03459	0.6
146.03596	2.4
147.04395	1.7
149.02347	0.7
149.05965	0.8
150.03075	2.2
151.03822	1.6
153.01833	1.3
153.05492	3.3
157.78429	1.1
161.04419	2.0
162.03114	2.0
163.03864	1.0
164.04741	0.9
165.05476	2.5
166.05904	0.8
166.99869	1.0
168.00581	1.0
171.00668	0.9
174.03047	0.8
177.05478	2.7
179.05498	1.1
180.04213	5.1
187.04030	1.1
192.04254	1.6
193.05052	0.8
195.06613	6.1
196.06892	0.9
207.06606	3.3
211.04089	1.0
211.05925	1.0
211.07689	0.8
213.05574	2.3
214.06300	6.4
223.07816	0.7
226.06310	19.4
226.24608	0.7
227.07091	9.8
228.07889	25.4
229.05022	2.7
229.08656	14.2
230.08939	1.3
241.08665	24.0
242.09055	1.3
243.06631	6.1
243.10249	15.0
244.10609	1.0
256.07343	1.6
258.05353	1.0
269.08173	3.2
270.08893	1.0
271.06418	1.2
271.09805	3.7
285.07938	1.2
285.11331	3.8
286.08459	2.1
301.10822	54.1
302.11185	4.4
311.09183	1.6
315.08743	11.7
317.10260	1.7
329.10220	3.1
331.17761	5.6
343.11032	1.4
344.60403	0.7
347.11127	1.2
376.11676	0.8
391.10327	100.0
392.10657	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37505	0.4
57.03320	0.9
59.00093	1.8
59.01243	100.0
59.02551	1.2
60.01576	0.5
61.98696	4.0
71.01239	4.0
72.65304	0.4
72.88831	0.5
72.99187	1.0
73.02802	0.8
74.98959	0.6
85.02832	1.7
87.00724	0.6
89.02303	4.5
90.78395	0.4
93.03324	0.9
101.02317	3.9
107.04832	0.8
108.02029	3.8
109.02830	2.0
113.02341	1.6
119.03417	2.1
121.02860	1.5
122.03625	1.1
123.04407	2.4
134.03641	0.8
135.04407	7.2
135.98268	0.8
136.01540	2.3
136.05159	1.5
137.02354	0.6
138.03130	2.4
143.03357	0.9
145.02824	0.6
146.03683	0.9
149.02396	1.7
150.03111	5.1
151.03883	2.8
153.01848	0.6
153.05482	1.1
161.04520	1.9
162.03061	1.1
163.03905	13.5
164.04689	11.7
164.05959	0.9
165.05496	3.0
169.10883	0.5
172.26802	0.7
173.04723	0.4
175.04063	0.7
176.04674	2.3
177.05542	1.2
178.02721	2.0
178.06367	1.8
179.03407	0.9
179.05556	1.9
179.07112	2.4
180.07860	0.7
191.03430	3.6
191.07083	0.8
192.04214	6.5
193.05099	1.5
193.11963	0.6
195.06628	1.3
196.03769	1.0
201.06564	0.7
204.04301	1.3
206.05833	1.6
207.06564	23.1
209.08174	0.5
210.03448	0.6
210.05142	2.2
211.04112	0.7
211.06099	1.2
212.04851	0.6
216.08908	1.6
219.06641	3.9
223.07632	0.7
224.04662	0.9
225.05566	0.6
226.06570	0.4
237.05641	1.1
238.06403	0.9
239.07222	2.2
240.04282	9.1
244.08501	1.0
249.05640	0.6
250.06464	0.8
251.07106	0.8
251.88855	0.5
252.04417	0.6
253.05077	0.6
254.05914	0.6
255.06555	2.7
265.05148	1.7
266.06012	1.6
267.06595	5.5
268.07181	0.5
269.08112	0.9
269.62936	0.6
270.09055	0.9
279.06720	1.2
283.06158	4.9
284.07037	0.6
295.06119	14.4
296.06647	0.8
298.08469	9.7
299.09351	0.8
300.09909	1.2
304.84241	0.6
305.12573	0.5
309.07791	0.7
310.08487	9.6
313.10834	14.6
314.11441	1.0
325.07333	1.0
325.10834	17.6
326.11249	1.3
331.14270	0.6
331.17542	2.8
340.09586	0.6
343.11880	26.0
344.12360	1.6
355.11972	0.9
361.12946	6.9
373.13043	5.2
391.14114	2.6
391.19659	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	391.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58065	0.2
57.03304	1.0
59.00094	0.4
59.01242	20.5
61.98672	1.0
62.41096	0.5
67.01749	4.3
69.03303	1.0
71.00912	0.4
71.01244	3.8
72.99171	0.4
73.02789	0.8
75.59072	0.3
81.03299	0.9
83.04889	2.1
84.00867	0.3
85.02789	1.0
87.00688	0.5
89.02287	0.6
93.03316	24.1
94.03625	0.5
96.02042	0.5
101.02306	0.8
109.02810	1.0
111.00735	0.8
111.04395	5.1
113.02291	0.9
118.97941	0.4
119.04914	0.5
127.03834	0.4
127.11155	1.1
137.02327	5.9
137.09625	3.5
153.09264	0.4
155.03380	4.9
155.10672	6.8
161.04460	0.4
169.08606	0.9
172.98788	1.0
173.04462	100.0
173.11746	1.5
174.04825	2.8
181.08636	1.5
191.05537	1.2
199.09689	7.0
217.10764	26.5
218.11070	1.1
275.18692	0.4
331.17603	0.8
332.11743	0.4
340.95123	0.4
379.83884	0.4
391.16135	28.0
392.16385	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	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52911	0.2
54.15050	0.2
57.03326	0.4
59.00011	1.8
59.01241	100.0
59.02303	1.1
60.01580	0.7
61.98697	1.0
62.53475	0.2
63.15532	0.2
66.36955	0.2
71.01238	3.9
72.99167	0.4
73.02816	1.4
73.95631	0.3
74.23008	0.2
75.00736	0.8
83.01258	0.8
85.02814	2.0
89.02298	0.7
93.03336	0.3
94.99615	0.3
95.01273	0.3
96.95870	1.4
99.00768	0.8
100.10960	0.3
101.02302	4.3
109.02843	0.4
113.02305	2.0
115.00262	0.4
125.02383	0.3
135.04401	0.4
137.02298	0.3
147.02951	0.4
149.02292	0.3
153.01749	0.5
159.02913	0.5
161.04453	3.4
165.01820	0.4
173.23552	0.2
176.71556	0.5
179.03488	0.5
193.01382	0.4
193.05148	0.3
204.99817	0.4
241.00281	0.4
294.99146	0.3
331.17636	14.2
332.17963	0.6
347.17664	0.3
391.07010	0.4
391.15237	0.5
391.19965	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	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04875	0.3
58.00503	0.3
58.99951	1.3
59.01242	100.0
59.02368	1.7
60.01590	0.6
67.01752	0.7
68.07132	0.3
69.22626	0.3
71.01240	5.2
72.99181	0.4
73.02804	2.4
74.75581	0.4
81.03321	0.9
82.62921	0.4
85.02818	2.3
87.00718	0.6
89.02332	0.7
93.03318	8.9
95.01263	0.5
96.95870	0.8
99.00768	0.7
100.72227	0.4
101.02311	3.3
108.02047	1.6
108.99645	0.5
109.02813	36.8
110.03174	0.7
113.02325	2.0
117.03333	0.6
121.02841	1.2
123.00780	0.4
125.02316	0.8
134.03574	0.6
135.04398	1.8
137.02324	1.2
141.05449	0.5
142.61105	0.4
143.03415	0.6
145.02902	0.5
147.04402	0.4
149.02312	1.0
151.00235	0.5
151.03938	0.9
153.01822	44.8
154.02179	0.9
159.02936	0.7
161.04434	6.7
165.01888	1.0
173.04462	1.9
175.03831	0.5
178.02557	0.5
179.03432	1.8
185.04518	0.8
191.03622	0.4
191.05482	1.0
193.01364	0.5
193.05000	1.2
204.99820	0.6
205.04982	0.6
206.32269	0.4
209.00880	1.9
217.57620	0.5
236.49455	0.4
237.00397	1.8
256.03714	0.5
257.29147	0.5
274.08350	0.7
285.07745	0.7
331.14020	0.6
331.17596	6.0
347.16821	1.2
391.02878	1.0
391.14481	3.2
391.19846	3.7
410.84784	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97283	0.3
57.94759	0.3
58.99977	1.6
59.01242	100.0
59.02332	1.5
60.01569	0.7
61.98689	0.3
64.29681	0.3
69.71353	0.3
70.99559	0.3
71.01241	4.3
71.80029	0.3
72.70781	0.3
73.02816	0.8
74.72191	0.3
76.16673	0.3
85.02821	1.3
89.02302	4.4
101.02303	3.5
113.02286	2.5
119.03369	3.1
136.01534	2.3
143.03391	1.1
150.03091	0.4
151.03902	3.3
159.02832	0.4
161.04402	1.7
179.05579	1.1
188.54318	0.3
193.04997	0.4
209.08192	0.7
211.06223	0.4
265.71320	0.3
331.17664	3.5
391.19858	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99888	0.8
59.00218	1.1
59.01243	100.0
59.02406	2.0
60.01589	0.8
61.57052	0.2
61.98692	0.4
68.24909	0.3
71.01235	5.5
72.58736	0.4
72.59678	0.3
73.02801	2.1
83.01248	0.7
84.54433	0.3
85.02813	2.2
85.14631	0.3
87.00741	0.7
89.02289	2.3
95.01269	0.3
99.00751	0.7
101.02308	5.5
101.02951	0.4
110.55698	0.3
113.02301	2.6
119.03381	0.9
121.06519	0.4
124.22511	0.3
136.85315	0.4
142.66994	0.4
143.03429	0.7
152.01190	0.4
159.02943	0.9
161.04436	5.4
167.03439	0.4
177.05496	0.4
178.27145	0.3
180.04141	0.3
191.07051	2.6
205.03378	0.4
211.81529	0.3
302.59164	0.4
303.12628	0.7
303.16125	0.5
331.17642	14.0
332.18286	0.9
391.14380	1.0
391.19452	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50940	0.1
54.28084	0.1
57.03313	0.5
58.00456	0.3
59.00165	1.4
59.01242	100.0
59.02483	1.7
59.64538	0.1
60.01572	0.5
60.41963	0.1
69.62413	0.2
70.99435	0.2
71.01239	18.7
71.02867	0.4
72.99170	0.6
73.02801	3.4
73.72002	0.2
75.00726	0.3
83.01247	1.5
85.02802	5.5
87.00741	0.8
89.02296	22.7
89.04568	0.3
90.02663	0.3
95.01237	1.2
96.13274	0.2
97.02788	0.2
99.00743	1.3
100.99249	0.2
101.02302	17.5
101.05046	0.3
102.02601	0.2
113.02305	10.8
114.02661	0.2
119.03365	9.9
120.03719	0.2
125.02298	0.6
129.01881	0.2
131.03381	0.8
143.03398	2.1
149.04474	0.9
159.02878	1.4
161.04453	14.0
161.10144	0.2
169.12210	0.9
176.71465	0.6
179.05522	5.7
201.79689	0.2
331.17639	72.1
332.17999	4.1
391.19553	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01784	0.3
57.03315	0.9
58.00460	0.4
58.99926	1.4
59.01242	100.0
59.02415	1.8
59.16389	0.2
60.01585	0.7
69.03312	0.5
70.99558	0.3
71.01239	24.3
71.02750	0.4
71.04883	0.6
72.01567	0.2
72.99173	0.8
73.02804	6.8
73.03205	0.5
75.00724	0.4
81.03291	0.2
82.49626	0.2
83.01243	3.0
85.02807	9.2
86.03169	0.2
87.00719	1.4
89.02298	14.4
89.04440	0.2
91.73285	0.2
92.05732	0.2
94.98082	0.2
95.01247	1.3
97.02805	0.5
99.00748	2.8
101.02303	22.2
101.04890	0.3
113.02306	12.0
119.03365	5.9
119.04162	0.4
121.10207	0.2
125.02312	0.6
129.01808	0.3
131.03368	0.6
143.03383	2.5
145.06023	0.3
149.04443	0.3
159.02898	2.1
160.98665	0.3
161.04449	19.9
161.09680	0.3
169.12291	0.6
176.58745	0.2
176.71416	0.5
179.05534	2.0
180.04124	0.3
205.03566	0.4
206.18872	0.3
248.74817	0.2
285.04480	0.2
312.64767	0.2
313.17960	0.3
331.17639	32.4
332.18082	1.7
333.91443	0.3
391.21579	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83420	0.3
59.00099	1.8
59.01242	100.0
59.02546	1.3
60.01565	0.9
63.57619	0.6
71.01241	5.3
73.02811	1.4
85.02811	2.2
85.38470	0.4
87.71305	0.4
89.02283	3.8
94.96789	0.4
101.02316	4.7
113.02328	2.6
119.03357	2.4
143.03375	0.8
159.02809	0.6
161.04468	3.7
169.09192	0.4
179.05498	1.3
194.51575	0.5
278.51447	0.5
331.17642	9.4
391.19864	0.8
392.39835	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10278	0.2
57.03318	1.3
57.72031	0.3
59.00082	1.9
59.01242	100.0
59.02279	1.1
60.01582	0.4
64.22243	0.3
69.03312	1.2
70.99653	0.5
71.01239	22.7
71.04879	0.4
72.99170	1.0
73.02805	16.1
75.00678	0.4
81.06954	1.1
83.01238	3.7
85.02806	6.9
85.03302	0.5
87.00744	0.9
87.04369	2.1
89.00076	0.3
89.02297	14.3
95.01252	1.3
97.02843	0.6
99.00738	2.1
101.02300	19.3
101.05975	0.6
113.02308	15.3
113.05959	0.3
114.02727	0.3
116.49776	0.4
119.03375	5.0
125.02331	1.3
128.03523	0.4
130.95882	0.4
131.03442	1.1
139.39342	0.3
143.03400	1.9
149.04434	0.5
153.09120	0.5
159.02975	0.8
160.01588	0.5
161.04439	7.4
170.15819	0.5
179.05551	0.9
185.11763	0.8
187.13318	13.9
188.13744	0.5
271.15555	0.4
303.10486	0.3
331.17627	10.8
332.18073	0.5
339.68100	0.4
349.18680	20.8
350.19141	1.0
391.15048	0.3
391.19855	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	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83051	0.2
58.24336	0.2
59.00074	1.9
59.01242	100.0
59.02592	0.9
60.01578	0.6
71.01237	4.8
72.99180	0.6
73.02807	0.6
74.98964	0.4
79.82643	0.2
83.01237	0.5
85.02811	1.5
87.00732	0.3
89.02297	6.8
89.02837	0.3
95.01248	0.2
99.00756	0.4
99.98632	0.2
101.02304	3.3
107.97994	0.2
108.02035	0.5
109.02812	0.4
113.02308	2.6
119.03378	3.4
122.03627	0.2
123.04405	0.7
130.09401	0.2
131.03410	0.4
134.03632	0.5
136.01535	5.6
136.98981	0.4
143.03424	0.8
149.04472	0.4
150.03096	1.0
151.03886	5.7
151.05014	0.3
159.02849	0.3
161.02402	0.4
161.04469	2.5
162.03123	9.3
163.03749	0.3
165.05484	0.8
172.43610	0.2
177.05482	10.6
178.05876	0.4
179.05536	2.2
179.07013	0.3
180.04274	0.6
193.05103	0.5
195.06564	2.2
209.08136	1.6
211.06163	0.7
217.18893	0.2
229.05185	0.2
271.10016	0.2
331.17639	3.9
343.11932	0.9
389.05908	0.3
391.10394	0.7
391.14462	0.7
391.19977	1.8
392.20291	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	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70787	0.1
56.80950	0.1
57.00447	0.1
57.03326	0.2
59.00117	1.9
59.01241	100.0
59.02533	1.5
60.01566	0.9
66.47820	0.1
71.01252	0.5
73.02810	0.4
75.00739	0.4
85.02814	0.2
89.02299	0.4
101.02322	0.6
110.65317	0.2
139.94145	0.2
153.45789	0.1
161.04518	0.2
180.59883	0.2
182.94627	0.2
260.50137	0.2
269.19098	0.2
285.15042	0.2
373.20319	1.2
391.21442	2.6
392.21329	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2128
Annotation	(-)-12,12'-Methylenedicytisine
Peak:m/z	Relative Intensity
57.03314	1.4
59.00041	1.8
59.01243	100.0
59.02574	1.3
60.01579	0.6
61.98691	1.1
68.99675	2.0
69.03306	4.7
71.01246	4.4
72.99119	0.6
73.02811	2.7
83.04887	1.5
85.02808	1.9
87.00758	0.9
89.02322	3.4
91.72686	1.2
94.52032	0.7
96.99200	1.1
99.00762	1.5
101.02287	4.3
108.04449	0.8
109.01595	3.8
110.01923	2.1
113.02329	1.5
117.75729	0.7
119.03394	1.6
142.59807	0.7
143.03433	1.2
157.75714	2.2
161.04463	2.4
190.05075	0.9
191.05411	1.0
192.04311	0.7
235.15050	1.3
243.17752	0.9
250.07309	2.5
251.07654	3.1
251.14503	1.0
251.18217	1.9
252.15302	1.0
253.15910	1.3
265.16031	1.3
267.17438	4.4
269.19122	5.0
285.18680	1.9
287.20316	1.1
295.17224	0.8
313.18134	14.0
330.17343	1.3
331.18796	6.7
346.56210	0.7
349.18607	0.8
373.20450	2.0
390.19202	3.6
391.21280	78.7
392.21594	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	391.2127
Annotation	Albopilosin A
Peak:m/z	Relative Intensity
57.03316	0.6
58.99869	1.1
59.01239	100.0
59.02496	1.8
60.01578	1.9
61.01664	0.7
61.98687	1.4
67.91599	0.5
71.01237	2.0
72.99194	0.5
73.02819	2.1
85.30908	0.5
89.02312	1.3
91.23830	0.5
95.10671	0.5
101.02338	0.9
110.06124	0.6
113.02303	0.9
139.07555	1.4
157.75645	2.2
175.60612	0.6
219.13998	1.5
259.20737	1.0
267.17657	0.9
269.19104	2.8
285.18448	0.9
287.20291	2.5
295.16876	1.1
306.02356	0.7
313.18176	5.8
331.19400	3.3
345.20798	0.8
373.20203	23.8
374.20639	2.0
391.21289	73.0
391.42175	0.9
392.21597	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	391.2127
Annotation	Albopilosin A
Peak:m/z	Relative Intensity
50.18886	0.3
57.03317	0.8
58.00460	0.8
58.99886	0.7
59.00212	1.1
59.01241	100.0
59.02402	1.9
60.01580	0.6
66.26847	0.2
68.36682	0.2
71.01243	0.9
73.02812	1.7
83.04882	0.4
85.02808	0.5
85.52084	0.3
86.76184	0.3
89.02289	0.5
91.73386	0.4
95.86311	0.3
99.92916	0.3
101.02290	1.0
119.03375	0.4
121.06450	0.9
121.55053	0.3
123.08045	0.4
133.06500	0.4
133.72740	0.3
139.07549	1.6
157.75728	1.3
161.04454	0.6
162.64478	0.4
219.13835	1.4
239.18138	0.4
242.13921	0.3
245.08151	0.4
251.18019	1.8
253.16003	0.5
255.17606	0.4
257.15015	0.3
257.19070	0.7
259.20633	1.4
267.17538	1.4
269.19135	2.8
273.18555	0.4
285.18674	1.0
287.20190	3.8
295.16870	0.6
301.18134	0.7
313.18118	6.7
314.18436	0.5
331.19150	3.1
345.21100	0.5
373.20209	31.5
374.20544	2.1
391.21292	75.5
392.21625	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	391.2492
Annotation	Xenimanadin A
Peak:m/z	Relative Intensity
53.31274	0.6
53.59124	0.6
58.04304	0.6
59.00984	1.3
59.01243	17.4
87.54011	2.0
87.54562	1.4
92.02560	0.8
96.95855	0.9
106.04092	2.6
107.04870	2.3
113.09605	0.7
119.04877	5.3
121.02841	4.9
125.54346	0.7
127.11127	1.8
133.06445	1.4
153.70404	0.8
175.11171	1.7
187.11125	0.9
189.12762	1.9
203.14336	14.4
217.00194	0.8
233.15446	17.5
234.15860	1.0
234.94359	0.7
235.13350	7.1
245.15427	5.0
293.17776	1.0
297.21890	0.9
315.23288	97.1
316.23624	8.4
359.22284	14.9
391.24933	100.0
392.25323	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	391.2495
Annotation	3beta-Malonyloxy-15-hydroxy-ent-labda-7,13E-dien
Peak:m/z	Relative Intensity
51.75292	0.4
57.03318	20.3
59.00974	0.5
59.01243	8.7
61.77403	0.4
72.33389	0.4
74.36060	0.4
83.61746	0.9
83.62134	0.6
92.02521	0.9
93.03327	0.8
98.24003	0.5
104.74792	0.5
106.04083	3.1
107.04851	0.9
108.02029	0.8
119.04876	2.8
121.02814	4.5
133.06465	0.6
173.47667	0.6
186.36754	0.6
189.12766	0.7
203.14325	1.3
219.13864	1.4
225.35089	0.6
231.17479	1.9
259.20688	4.2
261.19189	1.0
261.22211	8.3
262.22690	0.8
267.49820	0.6
271.20667	2.1
287.20267	2.0
287.23795	4.7
289.21744	68.1
290.22049	5.1
295.36765	0.5
297.22369	0.7
308.29434	0.5
315.23245	3.9
329.24863	17.8
330.25208	1.8
333.20743	18.6
333.34875	0.6
334.21082	1.4
347.25854	1.6
373.19177	1.0
373.23840	13.5
374.24142	1.4
391.10901	5.2
391.24939	100.0
392.25311	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	100.0
71.01250	3.2
73.64269	2.4
89.02288	13.3
93.92316	2.7
112.28092	3.1
186.27872	3.2
208.45844	2.8
279.23148	3.5
315.87009	3.4
331.17816	4.7
391.28345	3.8
402.38928	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	391.2856
Annotation	6alpha-Isobutyryloxy-7-oxo-13,14-dihydrokolavenic acid
Peak:m/z	Relative Intensity
58.83276	0.3
59.01248	2.1
60.89048	0.3
64.81965	0.3
81.25021	0.3
91.71480	0.3
91.79974	0.5
92.02545	0.4
92.07505	1.1
97.52029	0.4
98.12569	0.4
104.12159	0.3
106.04129	2.0
107.04908	0.4
113.43977	0.4
113.79629	0.3
119.04916	1.0
121.02808	2.3
133.06450	0.5
141.12749	1.8
163.70166	0.3
205.15913	6.8
233.15445	7.2
247.17207	0.7
247.45844	0.3
273.22156	0.8
277.21622	0.5
329.28482	2.8
338.53421	0.3
345.28018	32.5
346.28348	2.6
347.29572	59.8
348.29916	4.5
391.28577	100.0
392.28918	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	391.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72002	0.3
56.17481	0.3
59.01244	7.3
60.01542	0.5
60.76470	0.3
61.01638	0.5
64.04562	0.3
66.58628	0.3
67.42986	0.3
82.21152	0.3
85.06454	1.0
91.60497	0.3
91.79948	0.6
91.80413	0.4
92.02517	0.9
92.07446	1.0
92.08064	0.8
98.12518	0.5
99.07980	0.7
106.04109	3.7
107.04922	0.6
108.02010	0.8
119.04916	2.3
121.02814	4.0
125.32777	0.3
134.03587	0.7
247.20660	1.4
261.22296	2.5
261.27731	0.4
275.20212	1.3
289.21805	2.8
315.23492	0.6
315.33276	0.4
317.28546	1.5
329.28537	4.0
345.28009	38.3
346.28250	2.2
347.29565	75.7
348.29874	4.4
359.21957	0.4
391.28577	100.0
392.28955	5.6
393.69894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74223	0.1
56.87509	0.2
59.01244	0.8
68.56542	0.1
77.53835	0.2
79.05359	0.4
80.55063	0.3
83.04849	0.7
84.15245	0.3
87.55994	0.3
87.56508	0.3
87.91177	0.1
89.56873	0.3
89.57341	0.2
92.02543	1.2
95.01239	0.2
96.96677	0.2
104.10982	0.2
106.03402	0.3
106.04099	4.9
107.04934	1.3
108.02026	0.3
119.01624	0.1
119.04884	7.5
121.02817	5.8
133.05629	0.2
133.06480	2.0
137.02287	0.5
147.07993	0.3
151.03876	0.5
161.09592	1.0
175.11194	1.4
189.12793	2.5
203.14297	1.4
211.66917	0.2
217.15894	0.7
227.20189	0.4
231.17401	1.0
232.17877	0.2
245.19098	0.2
251.86700	0.2
255.23361	0.3
259.20764	0.3
287.23401	0.2
292.62421	0.2
301.29016	3.0
302.29446	0.2
303.26974	1.0
305.28537	1.0
309.20227	0.2
327.27161	0.2
329.28503	100.0
330.28854	9.5
345.27420	0.2
347.29398	1.6
348.29718	0.2
373.27490	51.4
374.27814	4.8
391.28540	42.0
392.28836	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	392.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66927	0.3
53.86118	0.3
59.01238	2.6
61.01664	0.6
92.02528	0.6
92.05106	0.8
92.32655	0.8
92.33253	0.7
97.94418	0.4
98.37585	0.5
106.04115	1.5
119.04935	1.3
121.02833	2.7
122.03165	0.9
141.12727	1.9
142.13078	1.0
153.71585	0.4
203.14345	0.4
205.15880	3.8
206.16275	4.5
233.15457	3.7
234.15784	4.2
235.16132	0.5
248.17393	0.4
262.81427	0.4
273.22403	0.7
274.22650	1.0
317.21268	0.8
318.21707	1.1
329.28445	0.8
330.28860	3.7
345.28009	9.5
346.28342	37.9
347.29507	15.4
348.29916	65.2
349.30182	2.8
391.28561	17.6
392.28922	100.0
393.29190	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	393.05
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07676	0.3
59.01243	4.1
61.57586	0.3
61.98696	0.7
62.31594	0.3
68.33202	0.3
69.82265	0.3
71.01237	1.2
72.99172	1.2
73.02816	0.6
79.95589	2.4
80.96364	2.8
83.01254	0.5
85.02776	0.8
87.00725	1.6
89.02292	0.8
96.93546	1.3
96.95872	100.0
96.98560	1.3
97.02797	0.4
99.00709	0.4
99.02605	0.4
101.02306	1.0
103.86708	0.4
107.04918	0.7
113.02299	1.0
119.03373	0.5
121.02769	0.4
121.06460	0.8
125.02302	0.7
135.04366	0.8
138.96931	0.9
143.01633	1.4
149.02339	0.7
149.05956	0.7
150.03151	0.4
150.96976	0.6
151.03903	0.8
166.96521	0.6
171.05513	0.4
179.03464	1.2
191.53125	0.4
213.07654	0.6
222.99269	0.7
241.00224	26.1
286.08289	0.4
301.10739	0.9
382.70819	1.7
393.05020	65.7
394.05273	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	393.1193
Annotation	Jasmolactone B
Peak:m/z	Relative Intensity
59.01242	20.2
60.01568	2.0
61.01660	0.8
61.98687	1.6
62.20713	0.8
63.39275	0.9
65.00191	2.2
67.01748	3.7
67.97596	0.8
68.99693	1.5
69.03291	0.9
71.01240	3.0
72.99168	14.3
77.03829	1.1
83.04868	1.2
85.02819	1.2
89.02287	0.9
91.72700	1.2
92.08657	0.9
92.25950	1.5
92.26448	0.9
93.03315	3.4
93.44347	1.0
95.04863	1.3
96.95878	3.7
97.02808	1.1
99.08002	1.2
101.02296	3.6
105.03347	1.1
107.04908	1.3
109.02802	3.0
111.04379	3.0
112.98645	1.2
113.02280	2.5
119.04892	1.2
121.02817	11.9
121.06479	1.4
121.10098	2.3
122.03658	1.3
123.04378	2.2
124.52783	1.1
125.02325	1.8
135.04424	3.9
136.01559	1.4
137.02315	1.3
137.05962	1.2
139.00223	3.6
139.07533	1.3
145.02831	1.6
146.90645	1.0
147.04416	3.5
149.02318	24.8
149.06006	1.6
150.03145	2.7
151.03864	2.2
156.05745	1.9
159.04416	5.4
160.05148	1.3
160.08852	2.8
161.02370	3.0
161.04456	1.3
161.05981	1.2
161.09572	2.2
162.03206	0.9
163.03847	4.9
165.05486	1.0
167.03421	4.2
171.04456	1.5
172.05167	4.6
173.02357	1.3
173.05956	1.9
173.13275	6.1
174.03107	1.7
174.06795	2.1
175.03899	3.3
176.01132	1.8
176.04643	1.2
177.01840	62.5
178.02451	2.6
179.03409	2.9
183.04401	1.1
184.05280	2.3
185.02362	1.5
185.13297	2.3
186.03200	1.1
187.03917	4.0
187.07462	1.9
188.04591	1.7
189.01877	6.5
189.05507	2.8
189.09157	4.4
190.02652	7.2
191.03401	6.4
199.03938	3.0
200.04697	11.2
201.05453	3.4
201.12767	6.7
202.02667	2.2
202.06255	1.6
203.03458	7.3
203.14339	1.7
204.04179	4.2
205.01360	3.8
205.08566	1.0
207.06622	2.2
207.10204	6.8
213.12823	4.2
214.09975	1.8
215.03476	1.5
215.10818	1.3
215.14305	1.3
218.02185	1.6
218.05731	2.4
219.02980	1.7
220.10884	2.3
222.05371	1.6
223.14520	1.1
227.03561	2.1
228.04204	7.0
229.04874	1.4
229.12346	10.7
230.05902	1.6
231.03064	1.5
231.13835	5.3
232.03610	1.5
233.11807	1.2
235.09634	1.4
236.10524	1.2
241.12354	3.3
242.09494	1.7
243.10164	1.5
243.13884	1.5
245.11754	1.3
247.13396	3.5
257.11832	19.2
258.12204	1.5
259.09958	2.2
259.13412	4.1
261.11276	3.0
262.04865	6.7
267.10260	1.5
268.06955	1.1
269.11813	3.8
273.11234	2.7
275.09918	1.4
275.12909	24.1
277.14365	1.2
285.11386	10.1
286.01099	1.6
287.12952	3.9
289.10831	1.8
291.12253	1.2
293.13882	2.1
303.12387	8.5
305.13910	3.2
313.07120	2.8
313.10715	2.3
319.11816	9.1
319.15472	6.9
321.13467	2.5
329.10342	10.7
332.18155	1.5
333.18201	1.6
347.11380	100.0
348.11774	6.7
349.03696	1.7
349.12747	3.8
365.12375	15.3
375.10828	8.0
393.11871	84.1
394.12326	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	393.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62682	1.7
59.00973	2.4
59.01241	26.8
60.37557	1.8
61.98665	1.8
65.00171	5.2
69.03259	1.8
71.01221	6.0
71.04575	1.9
71.04880	22.7
72.99158	20.5
73.02807	17.7
80.95424	1.8
81.03301	4.9
83.04841	3.0
85.02803	3.2
93.03298	11.0
97.02787	3.7
99.04361	1.9
102.05487	3.1
109.02791	6.5
109.06449	2.4
113.02287	9.6
119.04840	2.2
121.02827	13.2
121.06447	4.9
123.00790	2.2
123.04361	8.3
124.01507	2.4
125.02326	12.3
128.03401	3.4
128.35773	2.2
130.04114	11.7
135.04401	16.0
135.08060	2.4
137.02307	3.6
138.09096	5.1
139.00201	2.6
141.01788	4.0
141.06976	4.6
143.04912	3.6
145.02863	3.8
147.04410	21.3
149.02321	19.8
149.05943	2.9
149.09644	2.5
150.03085	3.8
151.03914	3.3
151.07332	2.3
153.01823	2.8
153.09117	2.6
156.05646	2.6
158.03606	6.3
158.07254	3.7
159.04398	15.9
159.08046	22.9
161.02292	4.4
161.05901	5.1
162.03084	6.5
163.03879	9.4
163.07535	3.3
163.11185	11.9
165.05461	31.2
165.09106	2.7
167.03421	3.9
171.04428	2.1
172.05171	4.2
173.02461	2.9
173.13219	4.0
174.03116	7.0
175.03963	4.9
175.07584	3.0
177.01839	66.8
177.05457	3.9
177.09074	8.8
178.02635	13.6
179.03421	5.2
185.09460	2.3
187.07530	9.4
187.11073	3.7
189.01836	3.4
189.05614	4.5
189.09062	2.9
190.02557	6.0
191.03418	6.8
192.04259	18.7
193.04988	33.0
193.12279	22.3
200.04713	8.8
201.05330	2.3
201.09065	2.5
201.12762	7.2
203.03497	4.9
203.06998	4.6
203.10687	3.9
204.04204	3.0
205.01462	3.1
207.10168	5.7
211.03961	2.1
213.12779	3.1
214.09952	6.4
215.14362	4.6
219.06648	2.5
219.10199	6.5
219.13754	3.0
221.11732	3.8
224.12830	2.6
228.04254	5.1
229.08708	16.5
229.12228	7.3
230.09471	15.5
231.10121	5.9
231.13866	7.2
233.15349	2.2
241.12286	8.2
243.13834	5.7
245.11879	2.4
247.09702	5.5
247.13347	8.0
249.14961	10.1
251.12794	2.8
257.11880	16.5
258.08932	4.5
259.10675	3.0
259.13412	29.4
262.04865	4.8
269.11874	5.0
275.09460	3.8
275.12839	16.8
277.14450	20.4
285.11307	21.8
287.12854	17.3
287.16446	8.7
291.12396	2.7
293.10294	5.0
297.07721	11.9
301.10931	4.1
302.07855	2.9
303.12476	14.0
313.10675	4.7
319.11707	9.7
319.15100	2.8
321.13223	4.6
327.08691	2.6
329.10217	7.4
331.11853	3.7
331.15601	6.5
333.18051	2.6
337.12805	6.4
347.11392	98.8
348.11722	4.7
349.12665	5.1
357.09753	31.6
365.12411	100.0
366.12637	5.6
375.10840	26.5
393.06332	5.0
393.11777	78.9
393.15805	6.5
394.11938	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	393.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94618	0.4
59.01249	2.7
61.98669	0.8
65.00190	5.7
67.01742	1.7
68.99673	1.9
69.03310	1.4
72.58436	0.5
72.99166	24.3
77.03819	1.7
81.03295	1.9
92.99674	2.3
93.03344	3.2
95.04874	1.1
99.00681	0.7
99.08004	0.8
105.03332	1.9
119.04896	0.7
119.20187	0.5
121.02815	14.5
122.03571	0.8
123.04385	1.8
133.02864	0.6
135.04407	3.6
136.01569	0.5
137.05975	1.1
140.64743	0.6
143.04892	0.6
147.04390	0.7
149.02332	35.4
150.03046	0.9
151.03882	1.3
153.09163	0.9
156.05771	2.4
157.06462	0.5
158.07239	1.4
159.04427	0.8
159.07986	0.6
161.62982	0.5
163.03912	2.2
164.04678	0.6
165.05472	1.6
167.03398	5.1
167.07027	0.8
171.04408	0.7
172.05194	1.2
173.02333	0.7
173.05968	1.4
173.13313	0.6
174.03093	0.9
174.06783	0.8
175.03891	1.4
176.04671	0.9
177.01846	100.0
178.02368	2.9
179.03331	1.0
184.05180	2.2
185.05995	0.7
185.13255	0.6
186.03101	0.5
186.06798	1.1
187.03944	1.6
188.04741	0.5
189.01897	0.8
189.05515	1.0
189.09326	0.6
190.02672	1.0
191.03401	0.7
193.01305	0.7
197.08037	1.0
197.13280	0.8
199.03906	0.8
200.04732	3.4
201.05510	1.7
201.12784	1.7
202.02577	0.5
202.06380	0.9
203.03477	1.2
203.14273	0.7
204.07510	0.5
205.01334	5.0
206.02132	1.7
207.10272	0.7
211.03854	0.6
212.04744	1.9
213.12779	3.0
215.03455	0.8
215.10744	2.3
215.14388	1.2
218.05745	1.0
219.13727	0.7
225.09227	0.6
228.04295	1.5
229.04944	0.9
229.12329	2.8
230.05829	2.2
231.13858	2.4
233.15495	0.7
241.12376	5.4
242.09505	1.3
243.13742	1.3
247.13332	0.8
256.03778	1.0
257.11795	5.7
259.13382	2.5
261.14935	0.6
262.04886	1.0
267.10406	0.6
269.11871	10.2
275.12891	3.7
285.11331	2.4
287.12906	4.3
303.12338	1.7
305.04321	0.9
313.10864	3.8
319.11868	6.1
329.10419	0.8
331.11884	1.7
345.13501	2.8
347.11386	13.0
348.11795	1.1
349.13104	1.5
357.09784	1.2
365.12460	2.2
375.10809	2.0
393.11969	10.3
393.21255	1.6
394.12131	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42574	0.1
59.00969	0.3
59.01241	4.3
60.01570	0.4
61.01654	0.2
65.00185	4.5
65.03824	0.3
67.01750	2.6
68.99669	2.9
69.03320	1.1
71.01238	0.7
72.99165	19.1
73.00801	0.3
73.99509	0.2
77.03824	1.7
78.13314	0.2
81.03316	1.4
83.04876	0.5
85.04949	0.2
91.01756	0.2
91.05397	0.3
92.99669	1.8
93.03316	3.8
95.04868	1.4
97.02847	0.2
99.08011	0.9
105.03336	1.8
106.04090	0.2
107.04890	0.6
108.02020	0.4
109.02807	0.3
109.06494	0.3
112.01538	0.2
117.03316	0.3
119.04894	0.8
119.72124	0.2
120.98981	0.2
121.02820	15.0
121.06355	0.2
122.03642	0.4
123.04401	1.9
123.07986	0.2
125.09573	0.5
128.06071	0.2
129.06995	0.2
131.04910	0.2
133.02806	0.6
133.06522	0.3
134.03629	0.2
135.04401	2.3
136.01524	0.2
137.02238	0.2
137.05969	0.9
138.31181	0.2
139.00250	0.3
143.04893	0.6
144.05717	0.4
145.02826	0.5
145.56595	0.2
147.04405	0.9
148.01549	0.2
149.02327	38.5
149.09648	0.3
150.02737	0.9
151.03888	0.5
151.11256	0.2
153.09129	0.6
156.05719	2.2
157.06483	0.6
158.03607	0.4
158.07257	0.6
159.04393	0.8
159.08083	0.2
160.01508	0.2
160.05164	0.3
161.02357	0.5
161.05937	0.3
162.06703	0.2
163.03911	1.6
165.05431	0.8
167.03395	3.8
167.07039	0.6
167.10651	0.3
171.04439	0.9
172.05202	1.2
173.02341	0.5
173.05975	1.3
173.13251	0.2
174.03130	0.5
174.06770	0.7
175.03908	0.9
176.04669	0.4
177.01845	100.0
177.07838	1.1
178.02287	3.7
179.03378	0.6
181.08765	0.2
183.04427	0.6
184.05214	2.1
185.05978	0.8
185.07532	0.2
185.13243	0.3
186.03198	0.2
186.06819	0.4
187.03876	1.2
187.14804	0.3
189.01840	0.7
189.05482	0.9
189.09138	0.4
190.02625	0.5
190.06326	0.4
191.03403	0.5
193.01357	0.4
195.02876	0.5
197.08136	0.9
197.09711	0.3
197.13269	0.4
199.03909	0.5
199.07523	0.3
199.11189	0.3
200.04692	2.5
201.05530	1.7
201.09248	0.3
201.12766	0.9
202.02696	0.7
202.06276	1.8
203.03453	0.5
203.07050	0.2
203.14349	0.4
205.01369	5.8
205.04977	0.3
206.02141	1.6
207.10085	0.4
211.03909	0.5
212.04770	1.9
213.01805	0.3
213.05447	0.5
213.12788	2.2
213.70723	0.3
214.09972	0.5
215.03427	0.4
215.10791	1.2
215.14282	1.3
217.05011	0.3
217.12260	0.4
218.05820	0.7
219.02840	0.2
219.13815	0.3
225.09111	0.3
225.12862	0.2
226.09953	0.3
227.03493	0.3
228.04230	1.0
229.05035	0.4
229.12320	1.6
230.05833	1.8
231.03041	0.3
231.13829	1.4
233.11906	0.2
233.15347	0.4
239.07114	0.3
241.12335	3.3
242.09477	0.8
243.13921	1.0
245.11839	0.4
247.13412	0.4
253.08800	0.5
254.09428	0.7
256.03754	0.8
257.11829	4.4
258.12326	0.3
259.09900	0.5
259.13397	3.1
261.15021	0.4
262.04803	0.3
269.08807	0.4
269.11841	8.6
270.12204	0.3
273.11737	0.2
275.12885	2.9
277.14481	0.3
283.43024	0.2
285.11343	1.4
287.12924	4.6
303.12354	0.4
313.10812	4.1
319.11893	5.0
320.12360	0.3
321.13251	0.3
329.10303	0.8
331.11966	0.9
333.18698	0.3
347.11380	4.5
348.11896	0.2
349.12930	1.0
357.09787	1.5
365.12354	0.6
375.10861	2.2
376.10895	0.3
393.11877	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	393.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39039	0.4
59.01239	11.6
61.98682	0.6
63.52139	0.8
71.01228	1.1
72.87621	0.5
72.97502	1.0
72.99165	55.6
73.00656	0.9
73.99504	0.5
80.01015	0.4
83.04874	3.1
88.31531	0.8
90.38784	0.4
100.60648	0.5
111.01237	0.6
111.04378	25.4
116.35960	0.5
119.04889	0.7
119.19379	0.4
123.04398	2.7
133.06514	1.1
135.04411	0.6
135.08014	3.0
139.03831	0.6
145.06519	0.9
148.05165	0.6
150.03119	2.6
161.05984	0.6
163.07541	4.9
163.11209	0.6
167.10765	0.6
175.07590	0.6
176.77620	0.5
179.07108	1.0
187.14885	0.6
195.10231	1.6
206.05820	0.7
207.06578	37.9
207.10168	14.8
208.06989	1.3
209.11845	1.3
231.13887	1.1
247.13339	1.2
257.11823	0.5
257.15485	1.1
268.10443	1.4
273.15015	2.2
275.09973	0.6
275.12927	8.0
275.16479	1.5
301.14450	2.5
314.82504	0.5
319.15515	100.0
320.15863	5.1
380.18228	0.6
393.15573	33.6
394.15802	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	393.1558
Annotation	gibberellin 28
Peak:m/z	Relative Intensity
52.65620	1.1
57.03301	1.8
59.01015	0.7
59.01244	7.5
67.01763	1.1
69.03294	1.8
71.01236	2.0
71.04882	1.3
72.99170	7.1
73.02802	10.3
75.37637	0.7
76.99527	0.9
83.04887	4.7
85.02819	1.2
85.33836	0.7
93.03297	0.8
97.02807	1.1
97.99949	3.5
99.00724	1.7
99.04387	1.4
101.02316	7.3
107.04891	1.9
109.02807	1.0
109.06461	1.3
111.00727	0.6
111.04361	0.8
113.02292	1.5
119.04906	1.3
123.04374	4.3
124.01516	2.2
125.02315	3.6
125.09602	1.8
127.04048	0.6
131.04903	0.8
133.06445	0.8
134.03520	1.1
135.04405	3.7
135.08057	1.6
137.02309	1.9
137.05960	2.3
138.03098	2.5
139.11192	8.8
147.04359	4.1
148.05203	9.6
149.05930	2.5
149.09637	1.8
150.03117	1.2
151.03903	9.6
151.11162	1.0
153.12650	0.7
159.04382	1.2
160.05168	1.3
161.05978	61.3
162.03091	2.0
162.06335	1.6
165.12723	2.9
167.10580	1.2
173.05952	2.4
174.06749	2.3
175.07533	2.3
177.12761	1.8
180.04161	1.0
181.08643	3.1
185.05986	1.1
187.03883	0.7
187.07555	2.1
187.14862	1.1
191.07104	1.3
191.14326	1.7
193.12218	1.2
193.15871	1.1
201.05490	2.4
201.09129	8.2
202.09756	1.5
203.14279	1.9
205.15894	1.9
211.07626	5.6
212.08382	19.9
213.09007	2.5
215.07060	4.5
215.10701	2.6
218.05763	1.6
219.06561	9.7
219.10109	1.1
219.13818	2.6
221.11760	1.8
228.07877	2.0
229.08684	5.9
229.12311	2.5
230.09471	14.8
230.13014	2.0
231.10045	1.1
231.13841	6.9
241.15839	1.0
243.13860	1.3
243.17589	5.0
247.13443	1.9
249.14948	5.7
254.13284	0.9
256.07489	1.7
257.11768	1.6
257.15613	0.9
259.13220	1.1
259.14581	0.8
259.17004	5.4
261.18622	6.1
269.15497	21.0
275.12967	4.6
276.13599	2.0
276.50043	0.8
277.14389	3.9
277.17770	1.6
285.15063	2.1
287.16541	100.0
288.16870	6.4
293.13907	1.8
303.15939	1.0
305.17590	10.5
313.14426	11.0
318.11362	0.9
319.11835	1.5
320.12372	3.7
321.13330	2.1
331.15536	62.3
332.15836	4.9
333.13486	0.8
349.16605	8.6
375.14639	4.2
393.15619	7.0
393.19983	1.2
394.16132	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1556
Annotation	Gibberellin A39
Peak:m/z	Relative Intensity
55.01747	2.4
56.30372	1.4
57.03300	6.0
59.01240	16.3
61.26888	1.5
68.99666	3.7
69.03305	4.2
70.21896	1.4
71.01230	4.5
71.04877	5.3
72.99160	31.5
73.02800	14.3
81.03307	2.9
83.04864	5.1
83.11626	1.6
85.02810	9.9
93.03299	2.3
95.04871	4.3
97.02818	7.5
97.06446	5.2
99.00742	6.0
99.04345	4.1
101.02304	4.2
107.04859	9.8
108.01998	3.1
109.02817	6.4
109.06449	2.1
110.03595	2.2
111.04372	6.9
113.02303	20.5
119.04916	1.8
121.06432	3.5
123.00674	2.2
123.04394	5.2
123.08065	2.3
124.01488	2.5
125.02320	27.6
125.05951	9.7
133.06543	2.5
134.03624	2.6
135.04384	6.6
135.08093	4.2
137.02240	2.3
137.05963	6.0
137.09668	2.0
138.03102	2.1
139.03827	1.9
139.07504	2.7
139.11183	9.3
144.46861	1.8
145.06454	3.9
147.04385	2.6
147.08023	7.2
148.01579	4.9
149.05991	3.3
149.09621	3.7
151.03984	2.3
151.07603	2.1
151.11183	5.4
153.05446	4.2
153.09113	6.9
154.56927	1.7
159.04463	6.5
160.05176	2.3
161.05965	4.8
163.07542	7.8
165.05463	5.2
165.09169	2.6
165.12729	3.3
167.07039	2.1
167.10623	3.0
175.07533	12.2
175.11220	2.0
177.05496	3.0
177.61169	1.8
179.03378	2.8
179.07068	4.4
181.08646	30.0
183.06517	6.3
183.08054	2.1
190.06252	2.6
191.03409	2.3
191.06920	2.4
191.10683	1.7
192.04434	1.9
192.37891	1.8
193.12206	2.3
197.04416	3.0
197.56897	1.7
201.05348	2.4
203.10855	2.7
205.05040	2.9
205.12280	4.8
209.08136	14.0
211.07622	3.9
212.08369	7.0
213.12796	3.5
215.14305	4.2
219.06598	6.1
219.10393	1.9
219.13683	1.9
221.11765	6.6
225.07617	24.7
228.07773	2.3
230.09372	9.4
231.13937	5.4
239.12874	2.7
241.16068	4.3
243.17572	5.4
245.15196	2.2
247.13310	4.4
249.14877	2.3
251.14702	1.8
256.07471	3.2
257.11966	2.7
259.13348	3.1
259.17062	5.8
261.18588	2.6
269.15503	21.0
275.12985	3.7
275.16556	7.2
285.15051	6.0
287.16550	23.3
291.16238	2.1
303.15924	6.3
305.17462	11.9
313.14554	11.7
319.15628	4.2
321.17096	3.7
331.15466	27.4
347.14954	5.5
349.16565	27.1
350.16937	2.8
357.13446	5.1
365.16098	4.8
375.14590	16.4
393.15601	100.0
394.15894	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	393.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77050	0.1
57.03321	0.3
59.00070	1.9
59.01242	100.0
60.01583	0.8
71.01239	3.6
72.99172	0.9
73.02802	1.3
76.72103	0.1
81.69158	0.1
83.01255	0.4
85.02806	1.8
85.99970	0.1
87.00756	0.3
89.02303	1.2
93.12544	0.1
95.01244	0.3
95.04888	0.5
96.95877	0.2
97.02818	0.2
99.00754	0.6
101.02296	2.6
106.21222	0.2
108.01942	0.1
111.00775	0.2
112.90910	0.1
113.02309	1.9
119.03403	0.5
121.02918	0.2
125.02313	0.2
134.45604	0.1
135.04408	0.2
143.03384	0.3
147.04384	0.2
149.02338	0.2
153.09041	0.7
159.02870	0.7
161.04451	4.8
161.05811	0.2
171.10199	0.2
177.01868	0.7
179.05589	0.3
180.82492	0.1
197.08223	0.4
251.87779	0.1
277.14392	0.2
321.13641	0.2
333.19193	6.4
334.19608	0.4
347.11646	0.5
360.20425	0.1
377.18347	0.6
393.11929	0.6
393.21249	1.4
394.15240	0.3
394.21768	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	393.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.0
58.51842	0.3
59.00071	1.8
59.01241	100.0
60.01572	0.9
61.01670	0.5
67.01758	0.5
68.99666	0.4
69.03329	0.5
71.01237	4.2
72.99168	7.0
73.02808	2.1
75.60532	0.3
77.03915	0.3
83.01237	0.5
83.04918	0.3
85.02810	1.3
87.00790	0.4
89.02305	0.6
93.03331	1.3
95.00007	0.3
97.02821	0.4
99.00781	0.4
99.04383	1.2
101.02312	3.4
108.02037	1.7
109.02879	0.7
109.06533	0.3
111.04381	0.5
113.02306	1.6
119.03422	0.5
119.04942	0.6
121.02820	2.1
123.04428	0.9
125.02306	3.7
135.08012	1.5
137.02379	1.0
139.03914	0.9
144.05826	0.4
149.02333	4.5
151.07600	0.6
157.06538	0.5
158.07336	0.5
159.04364	0.3
161.02362	0.6
161.04453	2.6
165.01915	0.4
167.03424	1.1
172.05290	0.4
173.13167	0.3
174.06804	0.4
177.01843	11.7
177.03305	0.6
178.02245	0.5
179.03407	0.6
189.05594	0.3
189.09242	0.4
190.02704	0.6
200.04721	0.6
202.06319	0.4
203.03453	0.4
204.99849	1.0
205.01498	0.7
205.12305	0.4
207.10289	0.4
213.12892	1.0
215.10706	0.4
215.14481	0.6
227.03595	0.4
228.04349	0.5
229.12312	0.6
231.13893	0.7
241.12209	0.5
243.10086	0.4
257.11969	1.4
259.09854	0.5
259.13602	0.9
269.08667	0.4
269.11969	0.8
269.15640	1.0
275.12943	1.9
285.11407	0.9
287.13113	1.0
287.16666	2.8
295.06119	0.4
301.10794	0.4
303.08865	0.5
303.11966	0.7
305.06915	0.9
305.17474	0.4
319.11908	1.2
329.10272	0.6
331.11920	0.6
331.15463	3.1
332.15988	0.6
333.19193	11.6
333.23132	0.6
334.19699	0.7
347.11359	5.2
349.12848	0.4
365.12604	0.9
375.10672	0.4
375.14896	0.5
377.18234	1.5
393.11661	6.0
393.15829	7.0
393.21497	1.9
394.15955	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77050	0.1
57.03321	0.3
59.00070	1.9
59.01242	100.0
60.01583	0.8
71.01239	3.6
72.99172	0.9
73.02802	1.3
76.72103	0.1
81.69158	0.1
83.01255	0.4
85.02806	1.8
85.99970	0.1
87.00756	0.3
89.02303	1.2
93.12544	0.1
95.01244	0.3
95.04888	0.5
96.95877	0.2
97.02818	0.2
99.00754	0.6
101.02296	2.6
106.21222	0.2
108.01942	0.1
111.00775	0.2
112.90910	0.1
113.02309	1.9
119.03403	0.5
121.02918	0.2
125.02313	0.2
134.45604	0.1
135.04408	0.2
143.03384	0.3
147.04384	0.2
149.02338	0.2
153.09041	0.7
159.02870	0.7
161.04451	4.8
161.05811	0.2
171.10199	0.2
177.01868	0.7
179.05589	0.3
180.82492	0.1
197.08223	0.4
251.87779	0.1
277.14392	0.2
321.13641	0.2
333.19193	6.4
334.19608	0.4
347.11646	0.5
360.20425	0.1
377.18347	0.6
393.11929	0.6
393.21249	1.4
394.15240	0.3
394.21768	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	393.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80505	0.5
53.95313	0.5
59.01247	4.2
70.99632	1.4
71.01239	90.9
71.03036	0.9
72.01583	0.9
72.99171	0.7
89.42207	0.7
115.00239	22.2
116.24405	0.6
133.01311	1.4
141.86694	1.4
143.86375	1.0
161.87451	1.2
183.01175	0.7
199.16962	17.1
220.61502	0.8
249.18578	2.6
259.20734	0.9
277.21735	100.0
278.22058	4.5
291.13071	2.6
318.63132	0.7
391.99786	0.8
393.19632	1.6
399.49252	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73489	0.3
51.00777	0.3
52.22081	0.3
59.01239	3.6
60.36996	0.3
66.34366	0.4
71.04874	5.1
83.79440	0.4
85.02796	3.3
88.27183	0.4
91.72775	0.7
97.02806	0.7
115.03874	13.9
133.04939	1.6
148.51254	0.4
205.19458	0.4
277.21732	100.0
278.22058	4.8
374.51749	0.4
393.26489	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2649
Annotation	Tylactone
Peak:m/z	Relative Intensity
54.35795	0.2
54.68941	0.2
57.03318	1.7
59.01023	0.2
59.01245	3.1
69.03297	0.3
70.18385	0.3
83.50651	0.5
83.81602	0.4
92.02532	0.5
92.57153	0.5
93.91018	0.4
106.04093	2.3
107.04887	0.6
119.04884	3.1
121.02821	3.2
124.01574	0.4
125.05252	0.3
129.02202	0.3
133.06451	0.7
140.88367	0.3
150.03218	0.4
161.09526	0.3
168.00566	0.4
183.01152	1.8
189.12886	0.7
203.14342	0.5
224.97379	0.4
249.11565	0.4
259.20657	0.6
261.22238	4.3
287.20419	1.2
287.23804	26.8
288.24310	2.0
289.21750	29.6
290.22095	2.7
291.22589	0.4
303.23312	15.1
304.23627	1.2
305.24863	0.5
311.16879	5.6
313.25378	2.5
329.24850	5.5
330.25342	0.4
331.26456	1.7
335.22195	0.4
349.27499	25.8
350.27844	1.7
393.26508	100.0
394.26840	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	395.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01218	0.3
59.39198	0.3
71.01231	1.1
71.69116	0.3
72.35265	0.3
73.02802	0.5
74.75578	0.4
75.97105	0.6
79.95582	1.4
80.75211	0.3
80.96375	2.7
83.01260	0.5
84.54660	0.4
85.02784	0.6
87.00730	0.9
96.93327	1.3
96.95868	100.0
99.00810	0.4
101.02308	1.3
109.02813	13.6
113.02303	0.8
123.04387	1.5
127.21288	0.3
130.74663	0.5
138.96927	0.7
151.03894	1.2
153.01822	22.1
166.96501	1.0
195.02975	2.1
222.99149	0.8
225.04002	0.5
241.00212	77.4
242.00478	2.7
315.07227	5.8
377.01578	0.7
380.82349	1.1
395.02899	76.5
396.03192	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.3
59.01248	1.5
59.32223	0.8
61.98702	0.7
63.15455	0.3
65.00191	0.8
67.01759	1.1
68.99695	0.7
71.01242	1.0
72.99164	3.5
72.99491	0.3
73.99525	0.6
77.99131	0.4
81.03325	0.4
84.15324	0.7
84.15765	0.6
87.97874	0.4
92.99657	0.5
93.03352	0.5
96.95863	0.9
101.02314	1.2
103.59036	0.3
112.67514	0.4
121.02781	2.0
121.24513	0.4
122.03157	0.9
126.43408	0.4
127.00245	0.5
127.05448	0.7
130.06512	0.6
135.04457	0.5
143.04973	0.4
145.02895	0.5
149.02353	3.9
150.02635	2.2
151.02963	0.5
151.05417	0.5
157.06100	0.4
161.33946	0.4
168.03688	0.5
169.02850	1.1
170.03607	0.5
171.04422	39.6
171.10271	0.5
172.04755	1.3
173.02330	0.4
173.05885	0.6
177.01845	8.7
177.03336	0.6
178.02185	6.9
179.02266	2.7
179.08597	1.0
184.05037	0.5
187.04018	0.5
189.00351	0.5
191.08585	4.5
193.06563	1.4
195.04477	2.0
195.08127	0.5
197.04373	0.4
199.04002	0.6
201.05608	0.5
202.02792	0.4
204.05811	0.9
205.06467	1.0
206.01735	0.5
206.07370	1.7
207.08078	3.2
209.05948	0.6
210.03256	0.5
211.04053	1.1
215.03458	8.5
216.14603	0.5
217.06529	0.7
219.08127	1.0
221.06029	2.3
222.06865	0.5
223.07614	11.4
232.05260	0.4
233.06117	2.7
234.06851	3.7
235.07597	7.4
236.04869	0.7
236.08015	0.6
237.05542	1.0
243.02989	0.9
249.05606	1.1
250.06358	1.2
251.07144	5.3
255.64262	0.4
258.12259	0.7
260.04822	0.5
261.05542	2.3
262.06375	3.9
263.07098	3.9
265.05063	0.8
267.06586	2.0
270.12177	0.6
277.05096	0.6
278.05875	1.2
279.06641	21.9
280.06946	1.2
288.04272	5.1
289.05099	4.6
292.12085	1.1
295.06058	1.8
306.05566	0.5
307.06180	3.7
314.11069	0.4
321.12347	0.5
323.05618	57.0
324.06009	3.1
326.42770	0.5
333.04047	2.2
334.04858	0.9
336.10913	0.9
348.11737	1.4
349.11963	0.4
351.05118	100.0
352.05460	5.4
394.12372	1.2
395.04089	1.3
395.12643	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49096	0.2
59.01227	0.2
60.19051	0.1
71.04872	0.3
72.99158	0.4
79.95590	4.8
93.03311	0.5
96.93135	1.1
96.95869	100.0
96.98356	1.4
97.95804	0.4
112.92981	0.2
113.02303	0.3
121.02825	0.6
125.02271	0.2
134.03598	0.3
135.04381	0.5
149.09619	0.4
167.03474	0.2
171.04526	0.2
175.03885	0.2
178.02644	0.5
181.04846	0.2
185.42653	0.2
186.06837	0.2
191.94936	0.2
209.04491	0.2
215.00285	0.3
225.05615	0.3
226.06349	1.6
227.06964	0.3
232.10959	0.3
234.13239	0.2
238.06415	0.3
243.13844	0.3
261.15125	0.3
270.05280	0.9
271.06180	0.7
285.07748	1.0
287.12866	0.4
297.07721	0.3
305.14038	0.2
315.08884	0.4
349.13013	0.3
367.13992	1.3
395.04440	24.2
395.13309	0.9
396.04938	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.9
61.98680	0.6
63.70706	0.3
64.83706	0.3
68.30632	0.3
69.03302	0.5
71.01238	3.2
72.99155	1.0
74.82626	0.3
79.95587	4.6
80.02544	0.6
83.39231	0.3
91.05415	0.3
96.93389	1.7
96.95868	100.0
96.98659	0.9
97.02792	0.7
107.04871	1.4
108.02051	0.3
109.02794	0.6
109.06451	0.7
112.01550	0.3
113.02314	0.7
119.04873	0.7
120.99546	0.5
123.04347	0.5
125.02285	0.4
125.05923	0.3
135.04399	1.3
137.02319	0.8
143.04926	0.3
151.03983	0.3
153.05418	2.0
167.07040	1.2
169.08632	1.1
171.06516	2.2
177.01883	0.4
181.04976	6.5
193.05080	0.5
222.94603	0.3
225.05524	1.6
226.06355	1.4
270.05426	1.0
282.05655	0.3
285.07782	1.2
305.14200	0.4
307.06012	0.5
329.23517	0.3
349.12280	0.4
367.13770	0.3
380.72391	0.4
380.80701	0.8
395.04474	34.0
395.13254	15.5
396.04785	1.9
396.13934	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61853	0.2
52.48042	0.2
57.09667	0.2
57.18037	0.3
59.01241	0.5
62.09750	0.2
71.01214	0.4
79.95589	5.0
96.93407	1.5
96.95869	100.0
96.98684	0.7
97.95790	0.3
102.38161	0.3
110.50894	0.3
119.04909	0.5
123.04381	0.4
129.47610	0.2
137.02274	0.4
139.35158	0.3
165.05550	0.4
167.07181	0.3
181.04913	0.8
191.03464	0.3
225.05487	1.2
226.06271	1.5
241.08781	0.4
270.05316	1.1
285.07739	0.9
315.08755	0.4
370.17822	0.3
377.63348	0.3
380.81107	0.6
389.78378	0.3
395.04440	33.3
395.13232	1.4
396.04742	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	395.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97475	0.3
57.03321	0.8
58.75325	0.3
59.01246	3.0
60.99170	13.2
65.38710	0.3
69.26302	0.3
71.01240	0.9
71.33027	0.3
72.99162	0.4
73.02823	0.5
84.83282	0.3
88.96194	0.9
88.98661	100.0
89.00815	1.6
89.99009	0.5
91.73461	0.6
93.03310	0.6
95.04868	0.5
95.43049	0.3
97.06453	1.9
99.04394	1.6
101.02302	1.1
109.02844	0.4
111.79493	0.3
112.07432	0.3
115.07523	0.5
125.02306	2.5
127.04994	0.4
128.03412	0.5
137.02306	0.8
138.03108	0.5
139.03894	0.6
157.01280	0.4
159.06540	1.6
161.04401	0.5
165.01901	0.4
167.03343	0.5
173.04453	1.5
179.03426	0.3
219.06583	0.4
224.59492	0.4
225.76289	0.3
249.08771	0.3
251.11255	0.4
305.06711	2.6
394.17230	0.4
394.96365	0.4
395.10251	0.5
395.14972	1.7
399.29642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37584	7.2
58.89924	7.1
59.01233	41.0
60.99167	9.1
61.20286	7.8
67.52010	7.3
71.01234	11.6
73.02797	14.7
87.00710	12.6
88.98659	100.0
89.51179	8.1
93.03329	31.4
96.95871	28.2
123.00785	9.4
128.03413	14.7
135.32286	10.2
137.02341	26.8
138.03110	11.5
153.01810	16.6
155.03246	10.1
165.93855	8.9
173.04488	45.3
173.75166	9.0
182.02142	10.1
183.06577	9.7
197.04515	22.9
197.08145	19.8
209.52734	9.0
217.67015	9.4
218.10345	16.6
221.06305	10.2
358.52087	11.8
395.11151	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	13.2
59.01242	100.0
61.98689	10.1
71.01234	20.1
72.99162	6.4
73.02795	6.8
78.95742	5.1
81.21326	3.0
83.01247	5.7
85.02810	10.2
87.00735	7.4
89.01814	3.4
89.02309	13.2
92.82082	3.3
93.03312	12.4
96.95866	28.6
96.96832	4.4
99.00746	5.3
99.04356	16.3
101.02282	20.1
101.04159	7.7
111.04392	3.8
113.02316	11.3
124.54198	3.6
125.02323	9.8
137.02312	7.9
138.03148	6.0
138.79486	3.9
141.05460	14.7
153.05379	6.1
155.03319	4.5
157.01266	3.3
161.04459	13.5
168.65935	3.3
173.04433	21.4
175.02406	5.7
181.04918	4.1
197.08150	9.1
215.09212	5.7
251.11227	7.9
276.09952	3.9
293.12546	7.3
303.10883	20.9
307.19855	4.8
315.10883	5.7
335.13446	7.4
335.17215	9.7
359.13400	9.4
360.13940	4.4
395.02164	7.0
395.10803	17.7
395.15735	15.9
396.16913	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	395.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49355	1.2
53.37082	1.1
59.01241	2.7
61.30494	1.3
61.98701	2.5
65.99702	3.8
67.01737	3.9
68.99668	1.9
69.03313	2.2
78.95788	1.6
79.01750	1.8
79.91496	1.3
81.03313	20.1
95.01234	8.1
105.09859	1.3
107.01245	10.5
108.02039	13.0
109.02859	2.7
111.00725	1.6
113.02310	3.1
113.64951	1.3
121.02810	2.1
123.00732	9.9
125.02306	25.4
133.02831	2.6
134.03563	2.4
135.31847	1.4
137.02394	2.8
143.04947	3.7
147.04398	1.5
151.00256	100.0
152.01050	39.0
153.01802	1.7
171.04446	6.3
172.05170	6.6
173.02562	1.6
174.03107	3.0
178.02618	6.7
187.03975	5.8
203.10643	4.6
215.03418	11.8
215.10704	27.9
216.04202	2.2
231.10229	7.3
243.10239	41.7
258.09091	1.9
259.09741	13.4
270.53912	1.7
277.11575	1.6
351.12137	10.1
377.10202	2.3
395.11237	29.8
396.11676	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	395.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11708	0.4
55.01756	0.8
56.62978	0.3
57.03320	4.4
69.02953	0.5
69.03313	7.2
71.01230	1.2
71.04877	0.8
72.99168	20.4
73.02803	2.3
81.03308	0.7
85.02805	7.6
87.04401	0.4
88.77636	0.4
91.72685	0.5
93.03302	0.4
97.02816	7.2
100.98651	0.8
102.66994	0.5
112.99348	1.3
113.02308	100.0
113.05713	1.1
114.02635	1.6
115.74584	0.4
121.02840	0.9
121.06470	0.8
125.02316	33.3
126.02647	1.1
137.06012	0.5
141.01814	4.8
143.03355	1.2
146.48537	0.3
147.04416	0.5
149.05956	0.9
149.09563	0.8
151.11192	1.0
157.01335	0.4
163.11151	0.7
165.05478	0.8
171.04437	0.4
174.03169	0.7
175.03915	1.0
177.12756	0.7
179.10686	1.6
181.12225	1.0
185.06065	0.4
186.06764	0.8
191.10803	0.5
193.04921	0.4
193.12245	0.8
204.11449	0.9
205.12253	0.5
215.14365	1.6
230.85141	0.4
231.10300	1.6
231.13899	1.0
232.11055	1.4
233.15457	1.0
243.13872	1.9
247.13390	0.5
249.11284	0.8
249.14899	0.6
253.10818	0.9
259.13394	0.9
261.14990	2.7
275.12912	1.6
277.14392	1.1
280.86850	0.4
287.12946	2.0
288.13181	0.5
293.13922	1.2
305.14056	2.5
307.11981	0.7
321.13150	0.4
323.15179	0.7
346.04758	0.4
349.12967	6.0
350.13025	0.5
351.14493	3.3
367.14008	36.0
368.14499	2.8
395.13470	19.9
396.13763	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1348
Annotation	Hirsutolide
Peak:m/z	Relative Intensity
57.03316	0.6
59.01233	2.3
67.95954	0.4
71.01225	0.6
71.04870	3.1
72.97330	0.7
72.99166	100.0
73.00803	1.9
73.02792	0.7
73.99503	0.8
75.00730	0.6
76.07253	0.5
78.14344	0.5
79.95567	0.5
83.04852	0.6
85.02814	1.0
87.00756	0.9
93.03313	0.7
96.95861	1.2
109.02819	0.9
113.02301	3.3
120.14442	0.5
125.02283	2.5
133.02859	0.9
134.03598	1.0
134.25357	0.5
135.04381	0.7
143.03409	0.6
149.05980	1.1
149.09665	1.1
157.86185	0.5
161.09654	0.7
165.05573	0.5
193.04948	0.7
200.00800	1.2
205.12323	1.0
221.08188	0.6
221.11931	0.6
224.49564	2.1
231.13750	1.1
233.15430	1.1
243.13884	1.3
249.14943	1.0
261.15027	1.9
271.13300	0.6
277.14407	6.5
279.16025	0.8
295.15540	6.2
305.14005	3.0
307.15475	0.6
321.13486	1.7
323.14868	1.4
349.12866	3.2
351.14505	6.0
351.18329	0.8
367.13834	1.9
380.09143	0.7
395.13486	76.1
396.13727	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	395.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82220	0.1
54.41764	0.1
55.47779	0.1
57.03304	0.3
59.01241	1.5
60.01572	0.1
61.98407	0.1
61.98688	0.9
67.01749	0.2
69.03326	0.2
69.82993	0.1
71.01232	0.5
71.04874	0.6
72.99171	1.0
73.02787	1.2
79.95591	5.3
81.03339	0.2
83.04870	0.3
83.78577	0.1
87.00722	0.5
93.03313	0.7
95.04893	0.2
96.93026	0.8
96.95869	100.0
96.98321	1.5
97.02802	0.2
97.95787	0.3
99.04369	0.5
101.02297	1.8
105.32094	0.2
107.04887	0.3
108.02030	0.4
109.02815	1.1
110.97412	0.4
111.04371	0.6
111.08044	0.2
113.02287	0.6
113.05946	0.1
118.99009	0.1
119.04888	0.8
121.02825	0.3
121.06480	0.8
122.03658	0.2
123.04407	0.7
123.07983	0.2
125.02333	0.6
133.06436	0.4
136.01572	0.2
137.02333	1.1
139.03883	0.4
139.07468	0.3
139.11105	0.3
143.03308	0.1
145.02840	0.2
145.62375	0.2
147.04424	0.3
149.02275	0.3
149.06001	1.0
150.03096	0.4
151.03914	0.4
151.07530	0.4
151.11186	0.5
159.04361	0.2
160.05174	0.2
163.03902	0.3
165.05421	0.2
165.12741	0.6
173.04520	0.2
174.03107	0.2
176.08379	0.4
177.01765	0.2
177.05504	0.5
177.12814	0.7
179.03419	0.4
179.14291	0.3
185.06061	0.2
186.03131	0.4
187.03961	0.2
188.04776	0.2
189.12877	0.2
191.03406	0.3
191.10760	0.2
195.06551	1.4
195.13838	0.4
199.14899	0.5
203.07056	0.3
205.12213	0.4
205.15895	0.6
207.17477	1.3
209.05951	0.2
211.04095	0.2
211.06044	0.5
213.01877	0.8
214.02579	0.2
215.03510	0.2
215.14322	0.6
217.12335	1.0
217.15904	1.0
219.13878	0.5
221.08374	0.2
221.11794	0.5
225.05522	1.3
226.06247	1.5
227.07072	0.2
233.15411	1.7
235.17065	0.4
240.11996	0.1
241.01404	0.3
242.02177	2.8
243.02878	0.6
243.13904	1.0
245.08192	0.4
245.15524	0.2
249.15024	0.3
251.16576	0.8
254.47450	0.2
257.01132	0.2
257.04517	0.2
258.01700	0.4
259.13403	0.2
260.10660	0.2
261.15018	1.2
270.05356	1.2
271.06055	0.3
271.13449	0.3
277.14304	0.3
279.16061	0.4
285.07776	0.9
289.07214	2.3
295.15628	1.1
301.07260	0.3
315.08835	0.3
323.15155	0.9
333.04309	0.2
351.04993	1.1
351.14505	0.5
357.33591	0.2
367.13846	0.3
377.12320	0.7
383.76559	0.2
395.04462	33.1
395.13312	19.2
396.04727	2.3
396.13507	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75614	0.3
57.03309	1.2
59.01243	1.6
61.98681	0.7
69.03300	0.8
72.99165	100.0
73.00765	1.8
73.02783	0.4
73.99474	0.3
85.02806	1.2
93.03317	3.3
96.95881	0.5
97.02798	1.8
99.04471	0.3
105.42633	0.3
109.02824	0.5
113.02303	16.0
121.02887	0.3
123.04376	0.9
125.02308	6.2
134.03545	0.3
137.02321	4.5
141.01816	0.6
147.08034	1.2
149.02457	0.3
151.11220	0.4
162.03107	0.6
163.03893	1.3
165.01849	0.5
175.03839	0.5
177.12773	0.4
190.10922	0.3
191.14323	0.4
215.14368	0.5
231.17577	0.9
232.11125	0.3
233.11890	0.3
233.15517	0.4
241.15985	0.6
252.26822	0.3
259.17062	4.4
261.15213	0.4
275.16568	0.9
277.14539	0.5
278.64499	0.4
281.37839	0.6
303.16028	18.9
304.16364	1.4
305.04559	0.4
305.14023	0.4
321.17068	1.0
349.12814	1.0
351.14694	0.9
357.10046	0.4
367.14038	5.4
368.14337	0.5
377.03323	0.5
395.04395	1.0
395.13287	2.6
395.17648	6.9
396.17838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75614	0.3
57.03309	1.2
59.01243	1.6
61.98681	0.7
69.03300	0.8
72.99165	100.0
73.00765	1.8
73.02783	0.4
73.99474	0.3
85.02806	1.2
93.03317	3.3
96.95881	0.5
97.02798	1.8
99.04471	0.3
105.42633	0.3
109.02824	0.5
113.02303	16.0
121.02887	0.3
123.04376	0.9
125.02308	6.2
134.03545	0.3
137.02321	4.5
141.01816	0.6
147.08034	1.2
149.02457	0.3
151.11220	0.4
162.03107	0.6
163.03893	1.3
165.01849	0.5
175.03839	0.5
177.12773	0.4
190.10922	0.3
191.14323	0.4
215.14368	0.5
231.17577	0.9
232.11125	0.3
233.11890	0.3
233.15517	0.4
241.15985	0.6
252.26822	0.3
259.17062	4.4
261.15213	0.4
275.16568	0.9
277.14539	0.5
278.64499	0.4
281.37839	0.6
303.16028	18.9
304.16364	1.4
305.04559	0.4
305.14023	0.4
321.17068	1.0
349.12814	1.0
351.14694	0.9
357.10046	0.4
367.14038	5.4
368.14337	0.5
377.03323	0.5
395.04395	1.0
395.13287	2.6
395.17648	6.9
396.17838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2438
Annotation	Rollicosin
Peak:m/z	Relative Intensity
50.51618	0.6
57.03305	1.1
59.01229	2.6
61.98695	7.3
71.04879	3.5
78.95746	1.2
83.04874	0.8
85.06454	1.1
93.03318	0.8
101.02316	0.6
106.04082	0.8
113.02276	1.1
119.04861	0.8
121.02811	1.8
125.02239	0.7
135.08180	0.6
163.11177	4.2
171.36896	0.5
191.10721	13.1
203.14134	0.6
205.12239	2.3
216.95380	0.5
217.12326	0.6
219.09726	0.5
231.17535	0.9
235.16949	0.7
247.17088	1.4
249.18523	2.1
257.15463	2.5
257.41238	0.6
259.16913	0.8
277.18118	5.1
287.19925	0.9
289.21753	3.5
291.19650	2.2
301.21506	0.7
303.23511	1.0
311.19885	0.9
315.23010	0.7
329.21176	2.0
331.22778	2.8
333.24274	4.6
349.19580	1.0
349.23849	18.0
351.25424	31.3
352.25769	1.9
361.48700	0.6
374.89771	0.6
377.23273	0.7
394.04068	0.7
395.24341	100.0
396.24402	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25558	0.3
59.00058	0.5
59.01242	22.8
59.02286	0.4
59.02551	0.5
59.61581	0.3
70.24791	0.4
71.01248	0.6
75.87198	0.4
79.39497	0.4
107.51473	0.4
109.46606	0.3
117.01810	0.9
135.02850	0.9
143.23888	0.4
160.14954	0.4
203.41255	0.8
233.22650	0.8
259.20602	0.5
275.20325	0.7
277.21729	100.0
278.22043	7.9
278.24844	0.7
317.24896	0.8
378.61307	0.4
395.24380	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	395.2439
Annotation	ent-13R,15-Dihydroxy-14S-acetoxy-1(10)-halimen-18-oic acid
Peak:m/z	Relative Intensity
57.03303	0.3
58.00465	1.1
59.01223	0.5
60.54405	0.2
70.23799	0.2
71.04886	1.2
73.02805	4.1
77.07199	0.4
77.07618	0.2
77.16096	0.2
83.04873	0.4
85.06445	0.8
89.08362	0.2
92.02547	0.4
101.73189	0.2
104.93938	0.3
106.04124	1.4
107.04916	0.3
108.02044	0.2
116.93298	0.2
119.04884	1.1
121.02837	1.7
131.23253	0.4
173.04359	0.3
189.12802	0.3
217.15982	1.4
219.17502	6.6
220.17796	0.4
229.15950	0.4
231.17444	2.9
243.17619	0.3
245.15414	1.0
245.19188	0.3
247.17018	28.5
247.27475	0.4
248.17381	2.3
249.18620	1.1
257.19119	2.3
258.19266	0.3
259.17123	0.3
259.20764	0.3
261.18649	1.6
273.18561	2.9
275.16699	1.4
275.20157	13.3
276.17398	0.2
276.20471	1.0
277.18088	13.1
278.18427	1.0
287.23798	0.3
289.18127	2.3
291.19659	8.8
292.19727	0.5
293.21213	0.9
297.22305	1.0
313.21637	3.1
315.23294	2.5
331.22797	1.3
333.24411	3.5
340.94983	0.3
351.25433	6.7
352.26044	0.6
395.24402	100.0
395.45895	0.8
396.24731	8.5
396.78146	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	395.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60277	0.3
59.01231	1.2
71.01218	0.9
72.45664	0.2
73.02792	0.4
78.95747	0.5
117.01795	0.6
129.86298	0.3
135.02861	0.9
152.99451	1.0
165.39139	0.3
190.89978	0.3
219.13600	0.3
259.20663	0.6
277.21738	100.0
278.22061	4.6
289.21765	0.5
291.23297	1.3
335.22284	1.3
395.24286	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	395.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72878	0.2
56.70480	0.2
57.03312	1.6
58.00442	0.5
59.01236	1.1
61.97286	0.2
61.98692	17.1
61.99927	0.3
66.31084	0.2
69.03306	0.3
71.04876	0.4
71.99751	0.3
72.00085	0.2
73.02798	0.3
74.44443	0.2
78.95735	0.3
79.39375	0.2
83.04864	0.9
85.06448	1.6
87.04353	0.3
92.02560	0.2
93.03298	0.5
95.04839	0.5
97.06413	0.2
99.08005	2.6
106.04082	1.2
107.04857	0.8
109.06416	0.8
111.08007	0.8
119.04891	1.9
121.02794	1.8
121.06450	0.6
123.07951	0.3
124.05060	0.2
127.07491	0.7
129.09079	2.0
132.44836	0.3
133.06429	0.4
137.02255	0.3
139.07507	2.0
143.95209	0.3
158.09366	0.3
159.10144	0.7
163.11192	0.2
173.04477	0.5
189.12737	0.6
191.10661	0.6
191.12546	0.4
191.14322	8.6
203.14314	2.6
219.13852	31.3
219.90518	0.2
220.14163	2.0
221.15373	0.5
233.15439	1.0
235.13341	0.7
243.17480	0.3
247.13373	0.9
248.14114	0.8
249.14903	4.7
250.15288	0.3
271.17676	0.5
271.20663	8.0
272.20874	0.5
275.19931	0.3
287.20139	0.6
289.21649	0.6
291.19717	0.6
297.22214	1.9
299.20096	0.4
301.21759	0.3
305.21124	0.6
311.20178	1.1
313.21741	0.8
315.23343	1.8
319.22751	1.6
329.21176	0.8
331.22678	1.2
333.24255	1.9
341.26514	0.3
347.22260	1.7
349.23840	14.2
350.24304	1.3
351.25409	10.4
352.25775	0.8
395.24384	100.0
396.24728	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72785	0.2
51.56870	0.2
57.03310	1.5
58.00448	0.9
58.71188	0.2
59.01232	0.5
61.98681	0.8
65.28593	0.2
69.03311	0.2
71.04864	0.7
73.02802	1.8
77.25316	0.2
83.04867	0.9
85.02808	0.3
85.06442	2.6
93.03327	0.3
95.04888	0.5
97.06434	0.5
99.07978	1.0
106.04096	1.6
107.04881	0.8
109.06430	0.5
110.50896	0.2
113.02354	0.2
115.07507	1.2
119.04903	1.6
121.02840	1.4
121.06458	0.5
122.05943	0.2
123.08031	0.3
124.05143	0.3
125.05950	0.2
127.07490	0.2
129.09076	0.8
133.06474	0.5
137.08543	0.2
139.07498	1.4
144.07794	0.3
145.08557	0.4
145.42302	0.2
189.12791	0.4
191.14339	4.0
202.37782	0.2
203.14348	1.3
205.15923	3.9
217.15901	1.9
219.13858	13.6
220.14221	0.8
221.15498	0.5
231.13918	0.7
233.15446	16.7
234.15785	0.8
235.13420	0.4
235.17111	0.4
243.17635	0.3
247.13463	0.6
247.17107	0.6
249.14948	3.0
259.17282	0.3
261.14929	0.4
261.18979	0.3
262.15805	0.3
263.16541	3.1
271.17706	0.5
271.20679	9.0
272.21112	0.7
277.18137	1.6
287.20132	1.3
289.18176	0.7
289.21637	0.2
297.22311	1.9
298.22598	0.3
311.20142	0.9
313.21741	0.9
315.23260	0.9
319.22717	1.0
329.21283	0.7
331.22781	0.9
333.24307	1.6
347.22183	0.9
349.23883	12.9
350.24268	1.0
351.25427	13.5
352.25861	1.1
395.24399	100.0
396.24725	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	395.244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	0.9
59.01234	0.8
69.03308	0.5
71.04521	0.3
71.04882	5.6
73.02795	2.5
73.06434	0.4
77.07188	0.7
81.03303	0.5
82.27956	0.3
83.04865	2.0
85.06464	0.4
92.02625	0.3
93.06735	0.4
93.07273	0.6
95.04873	1.0
96.22124	0.3
99.04359	0.5
101.05964	1.9
106.04120	1.3
107.04864	0.6
113.05939	0.5
119.04893	2.0
121.02810	4.4
123.63101	0.3
131.06985	1.1
133.06494	0.4
135.57886	0.3
139.78131	0.3
152.98625	0.4
203.14323	0.5
207.46265	0.3
217.15851	0.8
219.17493	8.5
219.19527	0.7
225.05843	0.3
229.15886	0.5
230.73262	0.4
231.17526	2.5
245.15411	0.9
247.17021	26.2
248.17317	1.6
249.18600	0.6
249.63530	0.4
271.20734	4.3
275.16531	1.1
275.19916	0.4
277.18100	7.1
285.22244	4.6
287.20056	0.4
291.19675	1.1
295.20758	0.6
297.22171	3.0
301.21698	0.5
311.20105	0.7
313.07181	1.6
313.21686	1.1
315.23337	0.8
333.24518	2.1
349.23892	10.0
350.24237	0.9
351.25427	14.6
352.25662	0.6
395.24414	100.0
396.24789	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	395.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86199	0.5
56.75065	0.4
59.01241	6.7
59.94624	0.4
66.41212	0.5
70.99778	1.2
71.01237	80.6
71.02896	1.2
72.01566	1.0
72.99154	0.7
106.96870	0.5
115.00239	17.6
121.02871	0.7
126.91840	0.6
133.01317	1.4
147.25337	0.4
158.72096	0.5
163.23656	0.5
248.05972	0.6
277.21722	1.8
279.23294	100.0
280.23624	6.2
288.98419	1.8
395.25256	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2591
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
65.03825	0.6
66.65974	0.4
66.90940	0.5
67.84763	0.4
69.52695	0.4
70.47747	0.4
83.04926	0.4
92.02517	3.2
93.03330	3.2
93.07140	0.7
95.01268	0.5
106.04101	9.9
107.04890	24.5
108.02055	1.4
108.05270	0.5
119.04892	10.4
121.02808	10.7
125.29433	0.4
161.09683	0.8
170.54955	0.5
173.09613	0.6
175.11209	5.5
187.11205	1.2
188.20169	0.5
201.12793	1.3
211.11191	0.5
243.17599	0.5
349.25528	1.5
351.26944	29.2
352.27286	3.0
395.25934	100.0
396.26276	10.4
406.10709	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99971	1.5
59.01242	100.0
59.02339	1.5
59.49987	0.3
60.01566	0.6
63.12799	0.3
71.29369	0.3
72.37128	0.3
72.58743	0.3
85.31367	0.3
91.72783	0.4
95.46314	0.3
121.02836	0.6
121.51019	0.3
263.17090	0.4
277.21756	1.3
291.23322	1.0
317.24796	3.4
335.25958	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2523
Annotation	phytosphingosine 1-phosphate
Peak:m/z	Relative Intensity
50.28651	0.2
54.84433	0.2
54.94584	0.3
59.01239	0.8
61.98690	0.7
69.89906	0.2
70.55309	0.2
71.75862	0.2
75.61006	0.2
77.11910	0.2
78.93852	1.6
78.95762	100.0
78.97401	1.0
90.22440	0.2
96.96793	1.3
103.66608	0.3
126.43792	0.2
173.04245	0.3
209.55078	0.2
257.61551	0.9
260.44232	0.2
271.08542	0.3
299.98734	0.3
337.17969	0.5
338.65796	0.3
373.20062	0.9
378.23724	0.4
396.25223	39.5
397.25519	2.1
417.18747	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54316	0.4
53.36016	0.3
55.50233	0.3
55.92686	0.3
58.68515	0.3
59.02130	0.3
59.68567	0.3
68.82542	0.4
79.95592	1.5
80.02556	0.4
80.96353	0.4
87.38807	0.4
91.73264	0.7
95.95093	0.9
96.95867	12.2
100.10000	0.5
107.99052	0.4
108.02032	29.2
109.02360	0.5
122.97453	3.1
123.00735	0.4
123.04392	13.8
124.04753	0.6
133.02831	1.5
133.69980	0.4
149.06013	0.4
151.96074	0.9
152.01041	68.6
153.01402	1.5
166.97670	1.0
167.03400	100.0
168.03777	2.8
175.00200	0.5
177.01874	1.1
184.39577	0.5
204.46994	0.4
229.01727	7.0
271.24298	0.5
281.04663	0.4
309.03937	0.9
353.03043	1.1
374.66412	0.4
387.42407	0.4
397.06039	7.4
398.06134	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.06
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40586	0.1
59.01228	0.3
65.03799	0.4
65.82860	0.1
71.01239	0.2
73.02801	0.3
79.95596	1.5
79.96001	0.2
80.96370	0.6
81.59351	0.2
93.03316	92.7
93.05624	1.4
94.03646	1.7
95.95074	0.3
96.95874	15.2
96.98396	0.2
122.97443	3.1
123.01047	0.2
123.04339	0.2
125.02328	0.2
127.17439	0.2
137.02324	100.0
137.06444	1.3
138.02663	2.3
152.00992	0.2
163.03885	0.7
164.04677	0.3
167.03386	0.4
173.04430	0.6
179.06990	0.2
179.10730	0.2
198.44919	0.2
244.00459	0.3
255.02925	1.0
259.02823	6.8
259.05576	0.3
309.04025	0.3
328.81253	0.2
334.17651	0.3
335.14560	0.2
396.17651	0.2
397.06027	16.0
397.14355	0.4
398.06326	0.9
398.18228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88168	0.5
55.47021	0.5
55.70434	0.5
59.01237	1.6
60.00629	0.4
61.98698	0.9
65.99693	1.2
67.01772	0.7
68.99680	0.9
69.03330	0.5
73.49117	0.5
80.02534	1.4
81.03311	5.5
91.01796	0.8
92.98220	0.5
93.03276	1.2
95.01254	2.2
96.99574	0.5
103.31152	0.7
107.01270	2.0
108.02032	24.8
109.02815	84.4
109.63908	0.7
110.03164	1.3
111.00750	1.7
123.00748	3.0
123.04351	0.7
124.01546	1.5
125.02323	7.0
130.93225	0.6
139.00194	1.0
143.97934	0.5
151.00256	43.3
152.01041	76.3
153.01823	100.0
154.02119	2.9
165.09116	0.9
175.73825	0.6
195.65941	0.6
217.00258	0.8
228.32712	1.0
233.11995	0.9
245.11841	0.9
269.08249	1.0
289.17859	0.8
335.12781	0.7
347.57968	0.6
353.14035	3.5
371.06409	0.6
397.07788	0.8
397.12784	10.9
397.17014	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	5.6
59.47292	1.0
61.98679	1.2
65.99701	7.1
67.01746	3.8
69.03322	1.8
73.07900	1.3
79.01744	2.4
81.03313	25.6
93.96364	1.3
95.01234	12.4
96.92681	1.2
97.02854	2.6
107.01247	16.5
108.02035	21.0
109.02814	15.5
121.02850	2.4
122.37964	1.4
123.00742	13.1
125.02319	39.2
126.71514	1.4
151.00259	100.0
152.01044	14.6
153.01825	4.8
164.83635	1.2
324.10162	1.5
353.13879	2.7
397.12949	42.9
398.13815	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	397.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52892	0.2
58.77890	0.2
59.01244	1.3
62.18997	0.2
66.61372	0.2
67.01727	0.3
69.48209	0.2
71.01241	2.7
71.04887	0.5
72.97569	1.8
72.99165	100.0
73.01018	0.8
73.02796	0.2
73.99496	0.9
77.09324	0.2
83.04848	0.3
88.03890	1.1
91.73047	1.6
109.06468	0.3
111.04379	0.4
111.08018	0.7
115.00257	0.7
121.06506	0.3
123.04480	0.5
125.09587	0.8
132.02922	0.9
134.03572	0.3
139.07530	6.7
147.04439	0.3
149.05957	3.2
151.11154	0.9
152.12720	0.2
153.12767	0.5
164.04716	0.4
167.07031	13.0
168.07344	0.5
175.03870	0.3
177.12697	0.3
196.13382	0.6
201.45438	0.2
203.11052	0.2
204.11563	0.8
205.12206	0.7
207.10263	0.8
207.13867	0.3
207.17485	1.9
232.10999	0.2
233.15475	0.8
237.11462	0.3
251.16476	2.2
261.14880	1.1
279.16016	4.7
279.18820	0.4
305.13947	6.9
306.14294	0.5
323.14987	4.8
324.15396	0.4
325.16504	0.3
397.15036	7.6
398.18811	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1505
Annotation	(3alpha,4beta,7alpha,8alpha)-12,13-Epoxytrichothec-9-ene-3,4,7,8,15-pentol 4,15-diacetate
Peak:m/z	Relative Intensity
57.03311	0.9
57.41537	0.7
59.00977	1.1
59.01241	15.6
59.78913	0.8
61.98684	1.3
62.63807	0.7
69.83444	0.8
71.01220	2.7
72.99155	3.6
73.02795	2.4
78.95766	2.0
81.03332	0.9
82.95243	1.0
83.01234	2.3
83.04861	1.9
85.02784	2.3
87.00712	1.0
89.02294	1.2
91.72717	1.1
93.03318	1.2
95.04848	3.4
95.42406	1.0
99.00734	2.0
99.38161	1.0
107.04889	1.6
108.02023	1.0
109.06445	3.4
111.04398	1.9
113.02312	1.2
120.99522	2.2
122.03515	1.3
124.98664	3.6
125.05959	1.1
133.06448	2.3
135.08038	1.1
136.01477	1.2
136.05219	1.2
137.02243	0.9
138.03065	1.3
141.98897	1.3
142.99721	15.7
152.99464	1.6
153.09123	1.4
154.99741	7.9
159.04402	0.9
160.05052	1.3
164.04694	1.9
172.00089	1.2
173.00851	12.8
179.14281	1.3
195.13756	1.8
205.12157	1.6
205.15811	1.8
209.15479	1.1
217.15961	2.1
219.13687	0.9
223.13315	6.9
223.16962	4.0
233.15436	3.9
237.14891	1.5
243.13875	1.9
245.15477	1.2
249.14923	6.8
251.16547	4.7
259.13397	4.7
259.34668	1.3
261.11319	0.9
261.14999	5.2
263.16479	1.2
267.16046	3.6
271.13190	1.9
277.14432	2.9
279.12317	5.3
279.15967	2.8
283.92825	1.0
305.13934	1.3
307.15402	1.3
323.11310	6.4
323.15161	2.3
351.14670	2.4
367.13995	63.3
368.14261	2.4
369.15463	2.2
397.14990	100.0
398.15189	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	397.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.6
59.01240	2.5
61.98707	0.5
69.03322	0.7
71.01232	2.3
71.04877	2.4
72.99168	25.1
73.00782	0.5
73.02806	8.8
81.03299	0.5
83.04888	0.9
85.02790	0.9
86.14223	0.4
87.00730	0.9
87.04365	3.0
89.02306	1.0
93.03347	1.3
95.01233	0.5
95.04921	0.5
96.95892	0.6
97.02807	1.7
97.06474	0.5
99.00782	0.5
99.04382	1.8
101.02325	1.9
107.04921	0.5
108.02046	0.5
109.02811	2.4
111.04400	3.8
113.02322	0.7
115.03870	5.5
121.02843	1.3
123.04444	0.9
123.08028	0.5
125.02313	0.7
133.02850	0.8
135.04417	0.6
137.02303	1.2
137.05960	1.1
139.03848	1.1
139.07559	0.8
145.02872	1.0
147.04424	0.9
149.02318	2.5
149.05995	2.0
150.03070	0.8
151.03993	0.6
151.11174	0.8
153.01834	0.8
161.02336	1.2
161.04433	0.6
162.06706	0.8
163.00249	0.5
163.11211	1.3
165.05505	0.8
165.12770	2.3
167.07031	3.1
172.01570	1.2
175.03886	0.8
177.01863	2.7
177.12782	1.7
179.03418	0.6
179.10773	3.0
179.14307	0.5
183.10146	0.6
186.06816	0.8
187.04034	0.6
189.01869	0.7
191.10762	0.8
193.12276	1.5
195.04434	0.9
197.06059	0.7
201.13033	0.7
204.07921	0.7
204.11626	0.6
205.12274	3.9
207.10208	12.8
208.10571	0.7
209.06088	0.9
216.00487	0.7
217.01297	0.6
217.15942	1.1
225.05551	1.7
225.11348	0.8
233.15468	2.5
235.04062	0.9
235.13393	3.6
235.17050	1.5
237.05595	1.3
242.99391	3.5
243.14108	0.5
244.00127	4.0
245.00851	0.9
249.11308	7.9
249.14946	1.8
251.03447	0.7
253.05032	4.9
261.15097	2.6
263.03577	1.5
263.12766	2.8
264.04388	0.8
264.15417	0.9
265.05054	1.6
265.08249	0.8
265.15503	0.8
269.04532	1.4
277.14630	0.6
279.03058	0.9
279.15872	0.6
280.03812	0.8
281.04636	3.1
291.02966	0.6
293.14041	1.6
297.04086	1.0
305.13962	6.8
308.03183	0.6
309.04031	2.8
323.15018	100.0
324.15387	5.0
325.03580	1.9
335.01926	1.6
336.02490	0.5
345.36938	0.5
353.03046	14.7
353.12387	5.9
354.03284	1.3
379.00790	0.6
396.19748	0.9
397.01889	6.2
397.10983	1.2
397.15063	3.8
397.19861	1.9
398.02206	0.6
398.18259	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	397.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69919	0.6
55.01725	1.8
55.86539	0.6
57.03315	0.7
58.00452	0.7
59.01249	5.9
59.44537	0.7
61.98683	1.5
64.04414	0.7
69.03300	1.8
71.01236	5.6
71.04852	0.9
72.99165	6.8
73.02782	3.2
81.03314	1.0
83.01238	5.9
83.04876	1.3
85.02791	2.0
87.00711	1.5
95.04858	2.5
95.42404	1.1
96.99142	0.9
99.00710	2.2
101.02238	1.2
106.04073	0.8
109.06419	1.8
109.99984	1.0
111.04380	1.6
112.98636	1.0
113.02284	1.7
116.00992	0.8
122.03559	1.1
124.01485	1.8
124.98680	9.3
125.02373	1.1
138.03072	2.2
141.99010	1.4
142.98683	1.7
142.99747	32.0
150.03122	0.9
151.73845	0.8
152.98190	1.2
154.99753	37.2
156.43552	1.0
163.03778	1.0
164.04681	1.3
169.12134	1.1
171.99982	2.0
172.99405	1.5
173.00821	31.1
177.12698	1.1
177.73083	0.8
179.14247	1.3
189.12718	2.0
189.18704	0.9
195.13869	4.2
202.73027	0.8
205.12201	1.0
206.69420	0.8
207.13863	1.3
217.15739	0.9
221.11736	1.1
223.13377	5.4
233.11731	1.6
233.15378	2.6
235.13219	1.6
239.16496	1.7
245.15286	1.1
249.14981	7.0
251.12871	1.0
251.16267	1.1
259.13431	5.6
261.14880	3.5
263.16190	1.4
267.16064	4.7
273.15176	0.8
273.18481	1.7
277.14334	3.7
279.12280	5.4
279.15622	1.2
289.14316	1.1
291.19577	4.2
295.11877	1.8
295.15308	1.2
305.13882	2.4
323.11481	11.5
323.14868	1.6
353.19485	3.5
361.16681	1.1
367.13995	100.0
368.14417	4.7
397.14795	50.9
397.18484	4.3
398.15115	3.3
405.50677	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1506
Annotation	(3alpha,4beta,7alpha,8alpha)-12,13-Epoxytrichothec-9-ene-3,4,7,8,15-pentol 4,15-diacetate
Peak:m/z	Relative Intensity
59.01233	5.9
59.94591	1.3
72.99166	34.7
72.99575	1.8
83.06094	1.6
87.04358	6.2
107.04916	3.9
117.11083	1.9
128.24530	1.8
142.02420	1.7
147.53690	1.7
148.97060	1.8
165.12747	100.0
166.13045	3.5
175.11200	3.4
177.12747	1.8
191.10649	2.7
193.12318	3.2
207.10258	3.9
217.00307	5.0
235.16928	2.0
237.11403	2.0
250.06403	2.7
294.05347	2.9
322.04620	8.2
337.07092	18.0
353.14005	2.5
397.15094	94.5
398.15463	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	397.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	0.8
59.01238	3.5
71.01226	1.6
72.99166	49.2
73.00858	0.9
73.02806	18.0
76.90562	0.8
87.04356	8.4
93.03334	5.7
96.95863	15.4
98.95444	13.9
98.96075	1.5
98.96311	1.1
99.04397	2.6
101.02313	1.2
106.04116	1.4
109.02824	3.4
111.04407	1.3
115.03874	7.2
115.19193	1.0
121.02838	2.0
125.02312	1.1
137.02339	2.3
147.04501	2.2
149.02339	1.1
151.00168	1.1
153.01865	1.5
154.86354	1.0
161.13287	1.2
163.11169	3.4
165.12770	8.7
167.07088	1.5
175.11279	1.4
177.09154	1.0
177.12769	8.7
179.10762	1.6
191.10713	5.4
193.12263	2.4
202.09834	2.6
203.10684	3.5
205.12280	19.1
206.12679	1.7
207.08386	1.9
207.10222	22.7
207.12027	1.1
207.14082	1.0
208.10522	1.2
217.15942	2.0
233.15436	6.7
235.09834	1.5
235.13297	1.3
235.17052	3.3
249.11305	86.6
250.11728	3.5
253.10881	1.6
261.15002	5.3
305.13947	33.6
306.14255	1.5
323.15005	100.0
324.15277	5.2
346.89932	1.2
353.02991	2.8
372.51379	1.0
397.04965	1.2
397.14917	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	397.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27094	0.2
54.24478	0.2
59.01232	0.9
61.84056	0.3
61.98680	0.8
71.01236	0.4
72.00765	6.2
72.99148	0.4
73.02784	0.5
74.02329	12.0
87.00702	0.4
91.16089	0.3
93.03276	0.3
96.95881	1.6
96.96835	0.3
115.00217	0.5
116.04923	30.8
117.05239	0.5
130.06480	1.1
142.06505	8.5
142.10846	0.3
157.07613	0.4
159.09178	8.3
161.04633	0.3
173.04417	0.7
175.02362	0.7
186.05539	1.8
193.01457	0.3
196.54243	0.3
197.04506	0.4
203.08194	100.0
203.15672	1.1
204.08507	2.6
221.00883	0.4
251.01836	0.3
266.40308	0.3
300.49338	0.3
386.47330	0.3
388.39993	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76420	20.0
59.01232	97.5
61.98706	31.0
66.13864	21.3
66.20754	22.0
71.01236	25.4
72.99146	24.9
87.00724	45.1
87.16679	23.6
93.03310	72.6
101.02326	25.2
104.94999	22.2
106.14661	21.6
173.04349	56.4
174.01509	22.8
188.86591	30.1
292.31799	29.3
355.19000	49.1
361.34937	28.7
388.08014	32.1
397.18198	100.0
397.23444	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	397.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16093	18.0
54.00771	16.2
54.91988	17.7
56.74617	19.3
59.01239	100.0
60.41126	20.9
72.17951	24.6
72.99155	33.6
74.54530	23.6
75.00761	21.2
76.29756	20.3
93.03290	27.0
97.42779	22.7
113.44161	22.0
121.02809	28.2
173.04431	47.0
217.00174	37.5
250.38629	23.5
355.18710	31.1
397.18024	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91872	0.3
56.35287	0.7
56.45132	0.2
58.91941	0.2
60.51452	0.3
60.56971	0.3
61.42315	0.3
61.43212	0.3
62.92389	0.2
74.34109	0.3
82.69297	0.2
86.96041	0.3
91.25981	0.3
93.03317	0.4
96.95892	0.4
105.03339	0.3
105.66277	0.3
117.03326	25.0
117.06540	0.4
118.04129	6.3
118.83598	0.4
119.04891	40.8
120.05209	1.0
121.02818	7.4
123.04388	2.0
133.02815	1.7
134.03595	0.8
145.02834	47.8
146.03162	0.8
156.08182	0.3
162.03116	3.0
163.03905	22.6
164.04120	0.4
279.23282	1.8
288.07153	0.3
353.24655	0.3
369.24414	1.2
397.23853	100.0
398.24188	6.4
416.66025	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34206	0.1
56.35283	0.3
57.59435	0.1
59.01233	0.4
60.56961	0.2
65.42471	0.1
79.95585	0.9
84.22967	0.2
88.03491	0.2
93.03310	0.4
95.95106	0.2
96.95867	7.1
106.55649	0.1
116.99767	0.3
117.03326	25.8
118.04142	5.7
118.83676	0.2
119.01144	0.4
119.04891	44.6
119.08190	0.5
120.05228	1.1
121.02820	9.5
122.03210	0.2
122.97439	0.6
123.04396	2.6
133.02829	2.2
134.03613	0.7
144.97838	0.4
145.02834	48.8
145.07263	0.6
146.03156	1.2
147.04417	0.2
149.02377	0.2
162.03122	3.5
163.03903	21.8
164.04243	0.6
219.58865	0.2
233.19057	0.2
274.33322	0.2
279.23300	1.2
346.26550	0.2
353.24835	0.4
369.24475	1.0
397.23804	100.0
398.24176	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	397.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24765	0.2
50.94714	0.2
51.03202	0.2
55.24849	0.2
56.11412	0.2
56.35287	0.5
56.35518	0.2
60.56971	0.3
75.37186	0.2
76.30209	0.2
83.02827	0.2
84.22974	0.2
90.58700	0.3
93.03323	0.3
103.73222	0.2
115.08290	0.2
116.99876	0.3
117.03326	22.5
118.04131	7.3
118.83599	0.3
119.01328	0.6
119.04890	45.0
120.05231	1.2
121.02817	7.3
122.03144	0.3
123.04359	2.0
127.89082	0.3
133.02823	1.7
134.03619	0.8
144.98140	0.4
145.02834	48.1
146.03159	1.2
147.04417	0.3
162.03123	3.4
163.03905	27.8
164.04225	1.2
180.94690	0.3
192.25188	0.2
233.19121	0.4
279.23447	0.6
331.80731	0.3
344.39984	0.3
369.24167	1.1
397.23843	100.0
398.18939	0.5
398.24176	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	397.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88892	0.4
59.01242	3.0
72.66649	0.4
89.02287	0.5
91.27485	0.5
91.72692	0.7
96.95863	1.8
102.51314	0.6
103.38660	0.5
108.19421	0.5
117.03307	1.7
119.04887	4.2
120.53445	0.6
121.02814	1.1
129.88695	0.5
135.02841	0.8
145.02866	3.4
163.03920	2.1
183.01114	1.0
200.55457	0.6
229.97183	0.5
232.97575	0.7
272.45496	0.6
279.23300	100.0
280.23694	7.6
339.20102	2.7
339.23785	0.7
361.23770	0.8
397.23425	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.275
Annotation	Phyllofolactone D
Peak:m/z	Relative Intensity
59.01226	4.3
59.55767	4.3
79.95609	6.7
96.95881	21.4
106.04096	4.3
107.04897	33.3
119.04924	12.2
121.02805	16.6
130.08665	9.9
176.38766	4.7
184.51964	5.7
199.46567	5.5
212.99010	4.5
299.69141	5.6
319.60486	5.2
348.45432	5.5
353.28400	62.0
397.22693	29.7
397.27567	100.0
398.27866	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42967	0.8
59.00102	2.0
59.01241	100.0
59.02485	2.1
85.79861	0.9
96.95878	2.2
99.54192	0.9
107.04859	0.8
117.03307	3.1
119.04900	6.7
121.02838	3.5
145.02831	5.0
163.03891	3.1
175.81868	1.0
183.01178	1.6
197.83235	0.9
232.97455	1.5
279.23248	2.9
317.24939	1.2
319.26483	2.9
339.19894	3.1
353.24829	20.3
353.28836	1.7
354.25351	3.1
361.27554	1.2
397.23679	28.5
398.24356	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	398.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71851	0.4
55.43896	0.4
57.07442	0.4
59.01236	1.0
71.01249	0.6
71.54125	0.4
72.99151	0.7
74.65103	0.4
78.95769	0.4
83.18423	0.5
84.04393	2.7
86.02318	0.7
88.03837	0.5
91.72646	0.4
93.03270	0.6
96.95868	1.1
109.02836	0.6
121.02814	0.8
128.03406	5.4
137.02353	0.5
138.01326	1.0
142.99760	0.4
149.02353	3.8
151.02066	0.9
154.98024	0.8
163.99289	2.6
165.00060	40.1
166.00839	57.0
167.01187	1.7
177.05492	0.6
178.06232	0.7
179.98776	0.7
180.99591	5.0
181.03203	15.9
186.68512	0.5
193.01360	1.6
193.08661	1.5
225.02234	100.0
226.02521	3.9
381.02554	1.7
398.18558	0.9
399.03650	2.1
399.16638	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34309	0.3
57.03313	1.5
58.02837	1.0
59.01237	1.4
69.03336	0.3
70.02822	0.4
70.99536	0.3
71.01241	19.6
73.50256	0.3
81.03329	0.7
83.04898	0.5
88.01595	0.9
88.03898	76.2
88.05932	1.0
89.04269	0.4
91.73360	0.7
92.11493	0.4
95.04859	0.4
96.04414	1.0
109.02809	0.5
109.06467	0.5
111.08078	0.5
114.01804	0.8
115.00238	20.3
119.08533	7.6
119.09338	0.6
121.06478	1.4
122.05986	14.2
130.38348	0.3
132.02908	13.3
136.07544	0.4
137.09604	8.2
138.09181	1.2
148.07550	0.7
151.06357	0.9
162.09253	0.8
163.07530	0.6
163.11189	1.6
165.07834	0.9
166.08662	1.1
172.60352	0.3
179.10689	0.6
180.10219	7.1
181.12225	1.9
190.35231	0.4
206.11856	1.4
211.03951	0.4
224.12894	6.1
267.03098	0.4
282.17154	1.2
283.15518	15.8
284.16028	0.7
296.15015	0.6
313.66272	1.4
354.19263	12.1
355.19510	0.6
380.17151	1.8
398.18237	100.0
399.18546	4.1
419.36740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	1.8
59.01249	2.1
59.73259	0.4
63.88200	0.3
71.01241	16.8
71.04873	1.4
73.02802	1.2
74.30758	0.4
81.03319	5.4
83.04876	1.9
84.02022	0.8
88.01750	0.8
88.03898	46.6
89.02249	0.5
95.04874	0.6
96.95863	1.7
96.99171	0.6
97.02818	1.2
97.06452	1.5
98.03593	0.6
99.00698	0.7
99.04376	12.1
109.02818	0.8
109.06454	8.0
114.01834	0.6
115.00242	18.9
115.07544	2.4
120.47239	0.4
123.04382	0.4
123.08022	1.2
124.07553	3.3
125.05957	2.1
132.02902	1.8
138.96243	0.4
163.11192	1.6
166.08647	1.0
167.07016	0.9
177.05396	0.6
178.08641	0.5
181.12219	1.0
196.09741	4.6
199.23375	0.5
204.99863	1.2
238.10890	0.6
261.23843	0.5
282.17087	1.8
283.15521	8.0
313.66147	1.3
336.18448	0.6
354.19247	4.2
380.17279	1.2
398.18240	100.0
399.09668	0.6
399.18491	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	399.0359
Annotation	Kynapcin 28
Peak:m/z	Relative Intensity
53.82111	0.7
54.87885	1.2
55.76484	1.0
56.90265	0.7
57.18760	0.8
57.66957	0.7
59.01241	4.3
60.13850	0.8
60.40828	0.8
64.18031	0.8
65.03807	1.1
70.21339	0.8
70.82237	0.8
71.01234	4.8
73.02814	2.5
81.03297	2.0
88.03894	6.5
89.02301	1.6
93.03311	4.2
94.13879	1.0
95.04881	2.0
95.98338	1.0
96.95868	5.7
99.04373	2.3
105.03279	1.0
107.63279	0.9
108.02019	2.0
108.99698	1.4
109.02815	100.0
109.06396	1.5
109.58794	0.8
110.03149	1.7
110.06584	0.8
115.00217	3.3
117.03333	2.3
119.04865	1.0
121.02818	10.2
129.03340	2.8
133.02841	2.1
135.04382	3.9
145.02826	5.6
147.04387	1.6
148.01582	1.8
148.97333	1.3
149.02328	95.3
150.02686	2.5
151.04027	1.0
153.01825	95.2
154.02112	2.1
157.02837	3.1
159.04347	1.3
161.02348	6.7
162.03116	3.1
173.02309	4.7
177.01851	1.3
177.05487	2.4
179.03450	5.6
189.01944	0.9
190.02580	1.1
191.05595	3.5
193.01424	2.0
201.01863	21.1
203.03424	3.4
204.99861	3.1
205.01570	5.0
218.02225	1.9
226.99834	0.9
245.00931	9.4
283.15479	1.0
311.05557	0.9
355.04617	100.0
356.04938	6.3
361.13120	1.1
381.02570	5.2
398.18326	7.9
399.03610	34.8
399.08575	1.2
399.18362	5.7
400.03909	2.1
400.19934	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	6.7
61.32664	1.5
61.98689	2.4
71.01240	14.6
72.99157	3.7
73.02805	21.3
73.16662	1.4
78.95768	4.0
81.47993	1.4
82.95259	2.6
85.02830	3.4
87.00737	20.3
89.02316	5.4
93.03326	3.4
96.95883	5.2
99.00745	7.4
108.02043	3.4
109.02813	100.0
110.03143	3.2
115.00217	13.4
115.33403	1.6
117.03294	1.9
119.04858	1.8
120.85711	1.7
121.02806	7.8
130.04100	3.0
131.04907	3.1
133.02809	2.9
133.71219	1.7
135.04425	5.8
137.02304	1.7
142.99727	3.2
145.02863	7.6
149.02335	81.4
151.00298	2.7
153.01826	77.6
154.02187	1.8
159.04413	20.7
161.00999	2.0
161.02339	5.8
173.02345	13.4
173.04559	4.1
174.03113	6.4
175.03912	2.5
177.05464	2.4
179.03415	4.8
183.55548	1.6
201.01852	15.7
203.03427	29.5
204.99818	38.7
205.01332	3.7
211.17693	1.7
225.07649	4.1
245.00964	4.6
255.06726	2.5
283.06100	14.7
311.05615	9.8
326.74976	2.3
327.04846	2.8
355.04630	82.4
355.09061	4.0
356.04999	4.7
381.02948	2.1
399.03683	29.8
399.09012	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	399.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66904	0.8
54.67499	1.0
55.13023	0.8
59.01001	1.0
59.01241	9.3
61.98677	3.2
67.01709	0.9
71.00882	1.0
71.01241	14.1
72.99157	2.5
73.02803	2.8
75.00726	1.2
77.75491	0.8
78.95753	3.7
81.03342	1.0
83.01248	2.2
85.02793	3.1
87.00732	18.9
89.02290	1.1
90.98463	1.4
93.03330	2.1
95.04913	1.1
96.95887	5.6
96.96838	3.4
98.02347	0.9
99.00771	1.3
101.02319	1.0
107.04872	1.4
109.02786	2.0
113.02294	1.2
113.03484	1.1
114.05457	1.2
115.00233	44.6
116.92617	1.2
119.04873	1.9
119.17542	1.0
120.04733	0.9
121.02799	2.2
123.04368	5.8
125.02311	4.7
127.00254	3.1
130.08568	1.2
134.48251	0.9
135.04376	3.7
137.02298	4.7
139.03862	8.9
141.93918	1.0
149.02333	2.8
149.05975	1.4
151.03897	14.0
157.01294	2.8
161.02319	1.8
163.03870	5.2
165.01833	6.2
167.03413	11.3
173.04443	2.1
175.02383	100.0
176.02724	1.4
177.01837	8.3
179.03438	3.3
190.02614	1.5
191.03391	11.6
193.08650	1.4
195.02914	13.1
197.04485	1.1
204.99812	2.2
209.04517	6.9
211.02364	4.9
211.58369	1.0
221.00856	2.3
223.02429	40.6
224.02827	2.1
234.01596	2.9
235.02431	3.7
236.03236	3.0
237.04016	2.5
253.03552	6.4
267.09845	1.3
281.03033	42.4
282.03430	1.9
303.05130	1.6
339.03464	1.7
351.03683	3.3
355.06888	1.6
363.16599	2.5
371.05997	1.1
381.04672	5.5
399.05692	21.7
399.14136	2.2
399.19006	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58970	0.4
53.00187	0.5
55.01749	1.0
58.02849	0.4
59.01245	7.4
64.76971	0.4
70.99567	0.5
71.01238	34.5
72.99169	5.8
73.01031	0.9
73.02803	61.1
74.03148	0.6
75.00732	1.5
77.16698	0.4
80.99687	1.2
82.95266	1.1
85.02816	1.6
87.00728	6.4
89.02296	14.9
90.92844	0.4
96.95873	1.7
96.99162	0.7
97.99943	1.0
99.00736	19.3
103.00233	1.6
112.98672	3.9
115.00235	27.8
117.01834	0.4
121.02843	1.0
124.98700	2.1
133.01324	2.8
134.03633	1.8
142.99733	4.1
149.02365	1.3
161.00839	3.2
162.03098	0.5
168.97685	0.6
175.07532	0.5
177.05516	0.8
179.03395	0.4
180.63535	0.4
186.98741	1.1
188.13768	0.4
191.01874	0.6
193.01286	1.4
193.05070	1.0
204.91519	0.8
204.99835	100.0
206.00117	2.0
340.02283	0.5
381.02863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51376	0.5
54.22554	0.4
54.67494	1.0
57.03311	0.6
59.01244	11.6
61.98700	1.6
67.01755	0.7
69.03316	0.6
71.01239	12.2
71.01590	0.9
72.99171	1.6
73.02818	2.0
75.00759	1.0
78.95772	0.7
81.03308	0.8
82.02824	0.5
82.95285	1.1
83.01245	1.2
85.02808	1.5
87.00732	18.1
87.01250	1.1
87.05503	0.8
89.02289	1.1
91.73376	0.8
93.03330	1.3
95.01248	0.8
96.04402	0.7
96.95879	2.0
96.99229	0.5
98.02321	0.6
99.00735	1.9
101.02319	1.3
105.03373	0.7
107.04893	1.0
109.02847	0.9
111.00761	0.6
112.03900	1.0
112.98679	0.6
113.02283	1.3
114.01847	0.9
115.00237	44.7
119.04910	0.7
121.02834	2.2
122.02226	0.6
123.04379	5.7
125.02330	3.0
127.00266	3.1
128.03427	0.7
130.08604	16.1
132.02007	0.8
133.02809	1.1
134.03581	1.3
135.04379	3.6
137.02313	2.7
137.05986	0.6
137.07274	0.5
138.03148	0.7
139.03883	9.0
140.10742	0.7
147.04410	0.6
149.02299	2.7
150.41518	0.6
151.03885	11.8
151.05029	0.9
153.05437	0.8
154.04984	0.7
156.06577	0.6
157.01337	1.6
160.01534	7.2
161.02313	0.7
162.03143	1.8
163.03870	4.9
164.00990	0.8
165.01816	5.8
165.05336	0.7
167.03377	8.8
167.04591	1.1
173.02296	0.6
173.04483	0.8
175.02393	100.0
176.02757	1.7
177.01830	6.9
177.05473	1.5
178.02518	0.6
179.03389	2.4
180.02910	4.3
181.04948	0.8
183.02881	1.9
190.02702	1.3
191.03424	11.6
192.00447	0.6
193.01370	1.0
193.08618	1.9
195.02904	12.4
207.02895	1.1
208.02452	2.0
209.04503	4.8
211.02443	4.9
213.12439	0.7
218.02237	0.6
219.02988	5.3
221.00900	2.4
223.02438	38.6
224.02597	0.8
227.13890	0.8
234.01625	2.2
235.02536	2.9
236.03206	2.3
237.03987	2.9
237.12469	0.9
243.01938	0.5
253.03522	6.3
279.60504	0.6
281.03040	39.8
282.03439	1.2
284.16217	1.5
295.12869	1.8
298.55972	0.7
339.03564	1.6
339.12186	2.7
351.03522	3.2
355.06610	1.6
355.19684	1.0
361.15152	0.9
381.04758	5.8
398.17999	0.6
399.05441	19.8
399.10092	1.7
399.13965	22.1
399.18661	1.3
399.22485	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0725
Annotation	Theaflagallin
Peak:m/z	Relative Intensity
51.79312	0.3
52.03649	0.7
52.03855	0.4
57.03280	1.0
57.86059	0.3
61.61084	0.4
65.67316	0.4
69.03313	0.4
74.87720	0.5
74.88061	0.5
77.03808	0.3
83.01191	1.1
91.52109	0.3
93.03310	2.7
97.02769	1.1
107.04833	0.3
109.02827	1.9
114.49867	0.3
115.42931	0.3
116.12756	0.3
117.03315	0.9
119.04861	0.8
121.02775	1.6
121.06442	0.8
125.02325	5.9
131.04901	3.5
133.06477	1.8
135.04361	0.4
137.02318	7.2
138.02911	0.6
139.03879	0.8
143.04897	0.8
145.02846	0.6
147.04355	0.5
149.02336	0.5
149.05894	1.1
153.01776	0.5
157.01683	0.4
158.03600	0.7
159.03108	0.6
159.04410	10.3
160.04782	0.6
161.02324	1.1
161.05945	1.9
162.03101	0.5
163.03874	0.8
164.01030	0.7
165.01820	9.8
167.03372	0.9
171.04366	0.6
174.03221	0.4
175.03940	2.2
177.01868	0.6
177.05518	1.7
179.03322	0.6
187.03932	42.9
188.04665	3.4
189.01791	1.1
189.05481	3.5
190.02608	1.7
191.03365	1.2
192.00519	0.6
193.01443	1.8
197.05995	0.5
199.03925	1.2
201.01842	0.6
203.03444	5.9
204.04192	3.9
205.05008	18.9
206.05397	0.7
207.02916	5.2
213.01863	0.8
215.03444	14.1
216.04053	0.6
217.04968	0.8
218.02055	0.8
219.02867	2.5
225.05499	0.4
227.03424	2.3
228.04080	0.6
231.02977	4.6
232.03711	2.2
232.95186	1.1
233.04523	100.0
234.04884	3.7
239.07019	0.4
243.02896	1.3
245.04459	2.4
255.02960	2.1
256.03821	0.7
257.08157	0.4
259.02438	1.5
260.03201	1.8
261.04044	19.7
262.04337	1.2
267.06561	0.8
269.04453	0.7
271.06210	0.8
273.04083	5.2
285.07745	0.8
291.06720	0.6
293.04568	0.4
294.05386	0.8
295.06186	1.8
309.07611	0.8
313.07230	3.2
315.05341	0.6
319.06110	0.5
327.08911	0.7
331.08173	0.5
337.07361	2.0
339.04861	0.4
355.08118	2.4
363.05273	0.6
371.07913	0.4
381.06174	4.9
399.07306	27.7
400.07608	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	399.1298
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid methyl ester
Peak:m/z	Relative Intensity
51.81110	0.3
53.34669	0.7
53.34911	0.8
55.80632	0.3
59.01173	0.8
60.76242	0.3
61.98611	1.2
67.16593	0.3
71.01166	1.0
71.01517	0.3
73.02711	1.0
73.03082	0.3
85.02736	0.7
91.72668	0.8
96.78284	0.4
96.95872	4.8
99.00681	0.5
101.02218	1.1
106.04028	1.1
109.02831	1.6
113.02243	0.5
119.04816	0.8
121.02831	1.5
131.04837	0.7
133.06383	0.9
147.04359	0.7
147.07954	0.9
148.05110	0.7
149.02267	0.7
149.05971	18.2
149.09602	8.2
150.06265	0.8
151.44089	0.4
153.01762	0.9
157.06422	1.2
162.03033	1.4
175.07564	26.0
176.07854	0.5
177.05458	1.2
193.01591	1.1
193.05020	13.3
193.08629	100.0
194.05382	0.4
194.08960	2.8
201.01784	0.4
219.02948	1.1
223.35088	0.4
237.07660	45.8
238.08017	2.0
245.00946	1.2
319.13898	0.5
355.04938	0.5
355.10449	0.7
355.14456	1.6
399.13388	25.4
400.13513	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02263	0.7
57.88900	0.4
59.01236	0.9
65.99708	6.6
67.01749	4.4
68.99667	1.0
69.03309	2.4
69.54019	0.4
71.01242	0.5
77.36914	0.6
78.74249	0.4
79.01756	2.8
80.02518	0.6
81.01208	0.5
81.03316	34.7
81.05161	0.6
93.03334	1.1
95.01246	11.0
97.02818	1.9
101.91412	0.5
107.01247	20.8
108.02038	21.5
109.02819	24.9
119.73442	0.4
121.02824	2.4
123.00746	14.5
125.02316	37.3
126.02550	0.6
151.00259	100.0
151.04953	1.3
152.01048	39.7
153.01830	29.6
165.09109	1.5
205.12282	0.5
219.13893	0.8
226.22202	0.5
247.13391	10.5
311.16568	7.3
320.70126	0.5
337.14423	0.6
355.15546	13.6
356.15729	0.7
399.14478	20.8
400.14822	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02272	0.6
54.12206	0.1
56.49356	0.2
59.01237	0.5
62.92151	0.1
65.00187	0.2
65.99368	0.3
65.99710	6.1
66.00060	0.3
67.00071	0.2
67.01751	4.3
68.99672	1.0
69.03320	2.4
71.01241	0.3
79.01751	3.1
81.03315	26.6
81.05208	0.5
82.03666	0.3
83.01223	0.2
95.01244	11.2
95.03687	0.3
96.01614	0.2
97.02803	2.6
104.66976	0.2
107.01247	14.1
107.04113	0.2
107.04880	0.2
108.02052	4.0
109.02816	4.5
112.55875	0.1
121.02821	2.0
121.06454	0.3
123.00751	13.0
124.01077	0.3
125.02316	32.5
125.05904	0.5
126.02666	0.7
148.03990	0.2
151.00258	100.0
151.05023	1.2
152.00996	2.9
153.01828	1.5
162.03076	0.2
165.09149	0.5
177.05452	0.2
178.99812	0.2
196.59821	0.2
218.57292	0.2
275.09213	0.2
361.16513	0.2
399.14478	5.2
400.14819	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02270	0.7
52.99076	0.2
56.49379	0.2
57.90531	0.2
61.64374	0.1
65.00187	0.3
65.99710	6.1
66.01080	0.2
66.80030	0.2
67.00063	0.1
67.01747	2.9
68.99671	0.8
69.03312	2.2
71.01234	0.2
79.01746	2.8
79.02184	0.2
80.02505	0.2
81.01180	0.3
81.03313	30.7
81.05202	0.5
82.03661	0.4
85.01910	0.2
94.03969	0.1
95.01242	8.8
97.02814	2.5
100.42554	0.2
107.01246	24.9
107.04110	0.4
108.02049	3.9
109.02814	2.6
117.59551	0.2
121.02820	1.6
121.06438	0.2
123.00747	12.0
123.04323	0.3
125.02313	30.5
125.05917	0.4
126.02651	0.3
150.94794	0.7
151.00256	100.0
151.05023	1.3
152.01003	2.7
153.01813	1.5
165.09102	0.4
247.13548	0.2
349.02521	0.2
399.14514	3.0
400.15057	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	399.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11345	1.6
57.08189	1.9
57.14277	1.6
57.59666	1.9
59.01234	8.6
64.16184	2.1
65.99705	5.9
67.01752	5.4
69.03323	2.0
69.09919	2.0
70.08420	1.8
71.01252	1.9
74.63499	1.9
79.01765	3.5
81.03304	22.0
95.01242	11.3
97.02821	2.4
107.01259	13.2
108.02034	24.6
109.02808	40.8
113.54679	2.2
123.00722	12.1
125.02317	33.8
151.00261	100.0
152.01044	76.2
153.01819	51.5
165.54692	2.0
177.05466	3.0
185.73878	2.5
194.29153	2.4
205.33852	2.5
245.12051	3.2
285.11127	2.9
342.84534	2.3
399.13824	11.6
399.18359	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	399.145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	2.1
65.99714	5.6
67.01753	6.1
68.99671	1.1
69.03292	1.8
69.24867	0.6
72.90121	0.6
79.01742	1.7
81.03313	22.2
83.78854	0.6
95.01238	9.6
96.12628	0.7
96.24568	0.6
97.02826	1.3
101.31339	0.6
102.19204	0.6
107.01257	12.3
108.02033	5.8
109.02825	9.7
121.02789	2.0
123.00751	12.7
125.02316	31.7
151.00256	100.0
151.11203	0.7
152.00743	2.6
153.01822	3.6
177.05470	0.9
178.99776	1.5
184.62146	0.6
205.01424	1.2
246.03989	0.7
355.15295	0.7
399.14459	16.2
399.22897	0.8
400.14764	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57110	0.3
68.43608	0.3
69.26689	0.3
73.49509	1.3
73.49939	0.8
76.42738	0.3
83.23215	0.3
85.66956	0.3
87.70406	0.3
91.52697	0.3
92.02503	0.8
97.36547	0.3
104.83655	0.3
106.04084	2.7
107.04869	0.6
119.04089	0.5
119.04889	7.5
121.02829	5.0
133.06462	3.2
161.09471	0.5
166.59256	0.3
175.11137	0.8
180.87801	0.3
206.53166	0.4
237.77847	0.5
273.22263	100.0
274.22641	4.4
317.21240	94.7
318.21588	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	399.2906
Annotation	CHEBI:68420
Peak:m/z	Relative Intensity
59.02161	0.3
61.04849	0.3
62.03453	0.3
81.76567	0.3
92.02533	1.6
94.08099	1.3
94.08749	0.8
106.04111	4.6
107.04879	2.1
108.01991	0.6
119.04887	15.4
121.02822	6.1
124.13813	0.3
127.35553	0.4
133.06473	5.4
137.02307	0.4
147.08073	0.4
161.09601	1.2
175.11136	2.1
189.12779	1.5
203.14368	1.0
217.15927	1.1
229.15919	0.6
231.17505	0.7
245.19089	0.5
257.19183	0.4
259.20648	0.4
262.76141	0.4
355.30081	96.4
356.30444	4.0
399.29056	100.0
399.49741	0.9
400.29395	5.1
409.99973	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03294	0.9
59.01242	7.1
61.98690	0.9
63.90627	0.6
67.01746	1.0
71.01231	4.5
75.91154	0.6
89.02292	5.3
91.01719	0.8
91.72762	1.1
93.03310	2.7
95.00658	1.1
95.01243	17.8
97.02795	1.1
98.37418	0.9
98.37999	0.7
99.07995	0.7
101.02295	2.3
107.04868	2.1
108.02039	1.0
109.02818	4.1
111.00733	0.7
113.02335	1.2
117.22662	0.8
119.03346	1.3
119.04885	1.0
121.02808	5.5
123.00739	13.4
123.04349	2.5
124.01516	2.8
125.02340	1.8
131.04851	1.4
133.02861	1.2
133.06424	2.0
134.03590	1.0
135.04385	2.1
136.01414	0.8
137.02307	1.8
138.03084	1.3
139.00208	1.8
139.11147	2.3
147.04416	1.4
149.02368	4.8
149.04391	0.8
149.05991	1.9
150.03098	0.9
151.03880	2.1
152.01013	1.2
153.01866	0.9
153.05507	0.7
161.02341	1.4
161.04445	0.8
162.03131	0.9
163.03886	4.9
165.01790	0.9
171.10129	4.3
175.03888	1.3
177.01854	17.1
177.05478	2.9
178.02625	21.0
178.06146	1.3
179.03419	8.4
179.05569	1.2
190.06192	0.7
191.03419	3.6
192.04198	11.8
193.04997	21.8
194.05713	2.7
197.02264	0.8
203.03400	0.8
204.04330	0.9
207.06583	1.4
208.03755	1.0
209.08136	3.1
211.13319	0.8
225.05606	0.9
234.04997	0.8
267.06644	1.9
281.08176	1.0
295.05890	0.8
313.07184	1.5
324.13773	1.0
327.08575	3.5
329.06631	2.3
329.23364	10.4
339.15924	1.0
341.06976	1.2
341.10785	7.8
343.08261	1.1
371.07700	36.2
372.07806	1.4
385.09143	1.7
386.10092	43.2
387.10278	1.6
401.12396	100.0
402.12766	5.8
403.16443	0.8
413.88382	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03294	0.9
59.01242	7.1
61.98690	0.9
63.90627	0.6
67.01746	1.0
71.01231	4.5
75.91154	0.6
89.02292	5.3
91.01719	0.8
91.72762	1.1
93.03310	2.7
95.00658	1.1
95.01243	17.8
97.02795	1.1
98.37418	0.9
98.37999	0.7
99.07995	0.7
101.02295	2.3
107.04868	2.1
108.02039	1.0
109.02818	4.1
111.00733	0.7
113.02335	1.2
117.22662	0.8
119.03346	1.3
119.04885	1.0
121.02808	5.5
123.00739	13.4
123.04349	2.5
124.01516	2.8
125.02340	1.8
131.04851	1.4
133.02861	1.2
133.06424	2.0
134.03590	1.0
135.04385	2.1
136.01414	0.8
137.02307	1.8
138.03084	1.3
139.00208	1.8
139.11147	2.3
147.04416	1.4
149.02368	4.8
149.04391	0.8
149.05991	1.9
150.03098	0.9
151.03880	2.1
152.01013	1.2
153.01866	0.9
153.05507	0.7
161.02341	1.4
161.04445	0.8
162.03131	0.9
163.03886	4.9
165.01790	0.9
171.10129	4.3
175.03888	1.3
177.01854	17.1
177.05478	2.9
178.02625	21.0
178.06146	1.3
179.03419	8.4
179.05569	1.2
190.06192	0.7
191.03419	3.6
192.04198	11.8
193.04997	21.8
194.05713	2.7
197.02264	0.8
203.03400	0.8
204.04330	0.9
207.06583	1.4
208.03755	1.0
209.08136	3.1
211.13319	0.8
225.05606	0.9
234.04997	0.8
267.06644	1.9
281.08176	1.0
295.05890	0.8
313.07184	1.5
324.13773	1.0
327.08575	3.5
329.06631	2.3
329.23364	10.4
339.15924	1.0
341.06976	1.2
341.10785	7.8
343.08261	1.1
371.07700	36.2
372.07806	1.4
385.09143	1.7
386.10092	43.2
387.10278	1.6
401.12396	100.0
402.12766	5.8
403.16443	0.8
413.88382	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52788	0.3
53.47557	0.3
58.77689	0.3
59.01241	2.3
71.01237	0.7
77.03835	0.4
79.44894	0.4
89.02304	1.4
91.73393	0.3
93.03308	4.8
95.01266	0.5
95.04893	3.3
101.02287	0.4
105.03317	1.3
107.01257	0.4
107.04916	0.6
108.02036	1.4
109.02825	0.6
113.02274	0.5
119.03360	0.5
121.02821	7.2
122.03672	0.6
123.00826	0.5
123.04379	7.4
133.02786	0.6
134.03636	0.5
135.04384	0.7
137.02393	0.4
149.02325	22.2
150.03114	3.7
151.03899	1.0
158.51625	0.3
161.02353	4.4
162.03015	0.4
163.03908	2.1
164.04703	0.4
169.78467	0.3
175.03934	0.6
176.04660	2.0
177.01843	98.7
177.08447	1.0
178.02623	98.6
179.03386	14.5
179.05560	0.5
179.06969	0.6
180.03616	0.4
191.03430	5.1
191.07094	1.0
191.97603	1.0
192.04202	100.0
193.04979	68.1
194.05687	7.5
195.06126	0.4
201.01817	0.5
201.22183	0.3
203.03377	0.6
207.06531	0.5
209.08130	20.0
210.08612	0.7
215.03406	0.5
235.06064	0.8
300.79440	0.4
329.23505	0.5
341.10867	2.0
342.07538	0.4
343.12134	0.4
371.11133	0.8
383.11249	1.3
386.10309	0.4
401.12366	14.0
402.12732	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87360	0.6
57.03299	0.9
58.00465	0.9
58.99982	0.9
59.01242	60.2
59.02387	0.9
71.01241	35.6
73.02808	1.3
75.83147	0.6
83.01242	1.7
85.02808	5.7
87.00739	3.1
88.99930	0.9
89.02299	57.5
89.04401	0.9
90.02643	1.1
92.09873	0.7
94.97579	0.7
95.01257	1.7
98.13659	0.6
101.02306	20.9
113.02306	15.7
119.03368	19.9
119.04001	0.4
119.31659	0.7
121.43016	0.8
131.03363	3.6
143.03372	2.8
149.04381	1.2
161.04427	8.2
172.98846	1.4
179.05519	30.5
188.54990	0.7
191.05527	5.5
209.06624	0.8
225.01814	0.7
244.73317	0.8
319.63086	0.8
341.10904	100.0
342.11279	5.9
372.07321	1.5
411.67886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00116	1.7
59.01240	100.0
59.02535	1.3
60.01576	0.6
61.98691	0.6
63.14744	0.3
67.57288	0.3
68.85851	0.3
71.01233	1.9
71.30405	0.3
72.16725	0.3
72.62307	0.3
72.99169	0.6
73.02808	0.4
85.02803	0.4
89.02292	3.7
91.73357	0.4
96.95868	1.0
98.82171	0.3
101.02299	1.5
113.02307	1.2
119.03375	1.1
120.01108	0.3
122.62672	0.3
134.03639	0.5
135.04362	0.5
138.53444	0.3
146.03618	22.0
146.08502	0.4
147.04283	0.8
149.06004	0.5
151.03902	0.4
161.04510	1.0
161.05954	8.1
163.03912	0.6
164.03267	0.7
164.04683	15.8
165.05055	0.4
177.05363	0.3
178.02614	0.4
179.05670	2.2
179.07037	62.9
180.07396	1.2
182.36595	0.4
193.04968	0.9
313.03421	0.4
325.26697	1.2
325.30219	0.6
341.10947	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	401.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00017	1.7
59.01244	100.0
60.01585	0.6
61.98706	0.8
63.15268	0.4
63.26103	0.4
71.01242	6.2
73.02811	1.0
74.02332	5.4
75.00735	3.7
83.01250	1.4
83.02374	1.1
84.00738	1.1
85.02794	1.1
87.00727	0.5
88.03899	1.0
89.02297	7.4
96.00785	2.8
96.95863	1.7
98.02338	2.3
99.00751	0.8
101.02313	4.1
103.38953	0.4
109.02886	0.5
110.02368	0.7
112.03871	0.8
113.02321	2.3
113.03437	1.0
115.00277	0.5
115.08638	4.9
119.03390	3.2
119.04896	0.8
125.02300	0.7
127.00260	0.9
127.05035	0.9
128.03442	1.4
129.10225	1.8
130.08611	4.5
131.04482	0.6
135.04338	0.5
138.09119	1.8
143.03377	0.8
143.11778	0.7
146.03625	21.2
147.04393	0.9
155.08136	0.8
161.04489	1.6
161.05972	7.0
163.03862	0.8
164.03323	0.8
164.04694	16.4
165.05084	0.5
166.08621	1.0
169.09747	0.9
173.04411	0.7
173.09253	1.4
179.05649	3.5
179.07043	66.1
180.07388	1.9
189.00365	1.1
189.05467	1.0
211.14476	1.2
223.10840	0.9
224.12151	0.4
267.09882	11.2
322.17548	0.7
325.26501	1.4
329.54736	0.5
341.10934	13.1
342.11133	0.6
357.21323	0.7
366.16693	10.9
383.19464	9.1
401.12967	1.0
401.20087	3.0
402.13498	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47262	1.2
55.01735	3.9
57.03308	5.5
58.00457	1.6
59.01242	93.5
59.02527	1.5
61.93761	1.2
67.94984	1.2
68.41730	1.3
69.03304	3.7
71.01238	100.0
71.02915	1.3
71.04888	1.1
72.99155	5.2
73.02805	27.9
75.00745	2.7
75.54401	1.3
78.03155	1.1
81.03320	1.8
83.01243	15.6
84.02039	1.1
85.02805	39.9
85.89865	1.2
85.99950	1.6
87.00737	7.3
88.03896	1.8
89.02297	61.5
90.64564	1.3
90.98457	1.6
91.72791	3.1
93.03320	1.9
95.01221	3.9
96.95863	2.2
97.02799	6.6
99.00748	13.2
100.99725	1.4
101.02301	82.7
107.01223	1.7
107.04862	1.3
109.02831	2.5
111.00726	10.6
113.02307	31.9
115.03865	2.6
119.03384	2.7
121.02843	3.6
125.01498	1.9
125.02296	8.8
129.01825	2.8
130.07339	1.3
131.03362	28.4
133.06490	1.3
134.01288	1.5
135.04408	1.7
136.05222	1.4
137.02296	2.0
142.35110	1.3
143.03328	6.5
143.70230	1.3
146.03606	1.7
149.02458	1.7
149.04460	16.4
149.05667	2.0
150.06767	3.4
151.07530	5.4
159.02844	7.6
161.04453	46.0
161.05811	2.5
165.01744	1.8
167.04997	2.1
167.30907	1.6
173.04495	3.6
177.05489	6.6
178.99879	6.8
179.05583	3.0
179.07115	3.6
182.05780	1.8
191.05515	5.1
192.97800	1.4
195.04494	2.4
195.06554	3.0
195.10191	43.8
197.06009	3.1
203.12872	4.0
208.73024	1.5
223.04044	2.0
223.50323	1.5
227.09077	1.8
233.06586	10.9
239.09125	1.7
245.11591	1.5
250.06404	2.9
263.95340	1.5
269.04507	3.8
269.10324	71.3
270.10748	3.6
285.04175	4.6
293.08911	1.9
304.21738	1.5
313.03763	5.1
313.72156	1.6
341.10858	8.0
357.02502	2.1
401.14603	78.2
401.18890	3.0
402.14990	4.3
419.79294	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	401.1454
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01738	3.1
56.69260	0.8
57.03304	4.4
58.00466	1.2
59.00122	0.9
59.01240	43.8
69.03305	2.2
71.01238	81.4
71.02859	1.5
72.37761	1.0
72.99165	1.6
73.02802	42.8
75.00732	2.8
77.16508	0.9
81.03310	1.5
81.32937	1.0
83.00796	1.1
83.01243	14.4
85.02806	44.3
87.00745	4.8
89.02296	19.9
95.01263	4.9
97.02824	4.8
99.00735	18.5
99.04371	0.9
101.02302	72.7
101.04992	1.0
110.99788	1.0
111.00725	2.2
113.01553	2.3
113.02309	33.4
113.03107	1.8
115.03881	3.2
125.02323	7.6
129.01802	2.3
131.03389	3.7
133.82280	1.3
143.03368	5.1
149.04439	3.2
155.29010	1.1
158.04771	1.0
159.02896	7.9
161.04446	51.5
179.05426	1.5
191.05579	1.6
195.10197	3.8
227.72308	1.1
233.06624	9.2
269.10309	91.8
270.10620	3.8
274.40994	1.0
293.08911	4.1
341.10925	1.5
357.02573	1.9
365.18143	2.6
401.14557	100.0
402.14932	4.3
407.05524	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43780	0.5
56.60786	0.5
57.03303	0.7
58.00462	1.5
59.00117	1.2
59.01243	67.3
59.02500	1.2
67.01739	0.7
68.99667	0.6
69.03310	8.1
70.99740	1.2
71.01240	74.8
71.02888	1.0
72.99159	2.7
73.02808	11.0
75.00749	3.3
81.03312	4.4
83.01235	4.7
85.02805	10.9
87.00742	2.4
88.03908	0.7
89.00198	1.3
89.02299	100.0
89.04644	1.5
90.02641	1.2
91.72719	0.9
93.03311	3.1
95.01244	2.9
95.42229	0.6
96.95882	7.5
97.02805	14.0
99.00745	14.7
99.04382	1.8
101.02306	19.7
101.02962	1.1
107.01279	6.0
107.01958	1.0
107.04889	50.4
108.02044	0.7
108.05235	1.3
109.02818	1.9
111.00753	2.5
111.31064	0.6
112.66649	0.6
113.02306	11.3
114.58651	0.7
115.03873	8.5
115.56390	0.7
119.03365	3.1
121.02825	11.0
123.04392	1.0
125.02319	45.1
125.14572	0.7
126.02686	0.7
127.03876	1.3
127.05449	0.8
130.01317	0.7
131.03371	10.2
133.02829	1.2
134.03355	0.6
135.00757	2.8
136.01527	1.6
137.02365	1.0
143.03363	4.7
146.56105	0.6
147.00758	2.0
149.02403	4.2
149.04440	16.4
161.04451	6.9
163.03920	0.9
165.01808	6.0
169.06529	1.9
173.04474	3.8
177.01839	3.1
178.99774	28.7
179.05513	1.3
179.07080	1.0
188.03413	1.1
190.99794	3.8
191.05536	10.8
192.00653	0.9
195.04474	1.9
197.06036	6.0
208.05235	2.4
215.05566	0.8
221.00861	7.3
223.04065	2.8
224.04755	4.2
225.05486	4.5
227.12880	1.5
233.06645	40.3
234.06891	1.0
241.05035	2.4
243.02873	0.9
267.02933	1.5
268.03696	0.8
269.04645	3.3
293.08798	39.1
294.09216	2.4
313.03531	16.3
314.03931	1.0
314.11288	0.8
321.15271	1.4
326.62717	0.7
341.10797	6.0
342.59708	0.7
357.02399	1.1
401.10690	6.2
401.18869	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35453	0.8
57.03309	1.2
59.01240	6.3
69.03307	0.8
71.01236	2.9
81.03297	1.4
83.39654	0.6
89.02299	3.4
90.34063	0.9
91.01754	2.2
93.03282	0.7
93.21737	0.6
95.01228	0.8
97.06435	0.8
99.07983	1.0
101.02322	1.2
107.01270	0.7
108.02029	12.1
109.02823	14.1
109.23598	0.6
113.02325	0.9
119.03313	0.8
121.02829	12.9
123.00751	5.4
124.01531	1.7
125.02348	0.8
135.00748	1.2
136.01547	3.5
137.02319	2.0
139.11131	0.7
145.02873	1.3
147.04425	1.0
151.00235	3.3
151.03873	3.3
152.01070	1.6
153.01819	7.5
157.08632	1.1
161.02333	6.3
161.06061	0.9
162.03136	1.5
163.03946	0.9
164.04643	1.6
165.05469	11.6
169.10139	0.9
173.02359	1.5
174.03119	11.3
175.03873	1.0
177.09148	0.7
178.99773	2.2
179.05641	1.3
181.08530	0.7
185.66818	0.7
189.01883	2.3
189.05446	0.8
190.02750	1.3
191.03433	1.9
193.08609	0.8
203.03442	1.4
203.07132	1.6
205.01341	4.7
218.02164	7.6
225.05551	1.5
229.08751	2.3
229.12209	1.2
231.10211	4.0
237.09106	1.6
239.40808	0.6
246.09056	1.6
247.09697	1.8
247.20671	12.1
249.11272	3.5
255.10248	4.9
257.08105	1.2
265.21609	1.2
271.09689	1.4
273.08316	1.5
273.11304	14.8
273.18604	1.8
274.11774	0.8
285.18402	0.9
291.19614	10.6
300.10092	2.7
302.07999	2.2
309.20731	18.8
313.07257	4.5
313.18225	1.6
321.14792	0.9
327.21790	34.7
328.21933	1.7
339.15994	5.3
341.10873	5.3
357.17053	11.5
365.18384	2.2
383.15036	3.6
401.16122	100.0
401.25134	28.6
402.16367	7.4
402.25708	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71822	0.6
57.78465	0.7
59.00051	1.5
59.01242	100.0
60.01603	0.6
69.03320	1.7
71.01247	1.0
71.84363	0.7
81.20577	0.7
89.02328	1.4
93.03348	1.8
95.14594	0.7
108.02045	5.7
109.02814	3.9
121.02821	47.7
122.03660	3.7
123.04385	5.9
134.03609	12.2
135.04407	1.3
136.01547	11.6
136.05226	1.6
137.02348	1.8
146.03671	1.7
147.04419	4.1
149.05966	7.0
150.03094	1.0
151.03917	9.6
153.01836	2.1
158.03711	1.2
159.04393	7.8
160.05196	9.1
161.05972	5.4
162.03163	1.7
163.03960	1.6
164.04829	1.4
171.04492	1.8
172.05211	6.1
172.97810	1.6
173.05992	5.4
174.06810	0.9
175.03961	0.8
175.07573	8.5
177.05574	2.5
178.06253	1.0
179.05542	0.9
181.06548	2.2
187.07539	1.2
188.04745	1.8
189.05504	8.7
189.06856	0.8
190.06282	22.2
202.06445	1.4
203.07191	2.5
204.07892	1.0
205.08635	25.8
206.09100	1.1
225.05609	2.9
269.08362	1.2
281.08334	2.1
293.08328	1.0
295.09879	1.5
296.10641	4.9
301.75443	0.9
311.09357	1.6
311.12842	14.8
312.13351	1.2
313.07233	7.3
326.11642	21.3
329.13916	7.9
341.13986	68.1
342.14252	3.8
357.06259	3.9
386.13864	3.1
401.08978	8.8
401.16254	15.7
401.21033	1.1
402.09210	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02257	0.6
54.04116	0.3
59.01241	4.0
65.99709	5.9
67.01744	4.1
68.99664	1.0
69.03315	2.2
71.01228	1.1
79.01740	3.0
80.02533	1.4
81.01418	0.4
81.03314	27.3
81.05435	0.3
82.03630	0.4
89.02293	1.6
95.01246	9.1
95.01851	0.5
96.01540	0.4
97.02794	2.1
101.02296	0.8
107.01247	13.1
108.02030	31.0
108.99783	0.4
109.02819	23.3
110.03158	0.5
111.00753	0.3
113.02322	0.5
119.03387	0.5
121.02814	4.0
123.00750	12.1
124.98660	0.6
125.02315	32.9
126.02686	0.4
135.59288	0.4
136.01566	0.4
137.02336	0.4
150.95341	1.1
151.00259	95.6
151.96082	1.1
152.01042	100.0
152.96805	0.4
153.01828	30.1
154.02089	0.5
172.05292	0.3
177.01903	0.6
179.05496	0.7
181.06555	0.4
189.10522	0.3
193.04936	0.4
202.51871	0.3
205.08778	0.3
299.12930	1.2
309.20804	0.4
313.07159	0.8
341.10522	2.3
341.14090	1.1
343.11914	4.1
365.16522	0.6
368.09177	0.4
401.16043	14.3
401.20981	0.8
402.16275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02069	0.2
51.02276	0.6
52.40947	0.2
52.50962	0.1
56.49382	0.2
57.03296	0.2
59.01242	1.8
65.99710	6.1
67.01750	4.8
68.99672	1.2
69.03318	2.3
71.01239	0.6
71.04890	0.3
79.01746	2.8
81.01431	0.4
81.03315	24.2
82.03654	0.4
89.02306	0.9
95.01244	9.5
97.02808	2.0
101.02312	0.4
107.01248	12.0
107.04458	0.2
108.01449	0.2
108.02055	3.7
109.02830	1.4
119.03342	0.4
121.02825	3.4
123.00748	12.8
124.98688	0.5
125.02315	31.7
126.02688	0.5
126.72878	0.2
150.95494	1.1
151.00259	100.0
152.00996	3.8
153.01866	1.1
154.02077	0.3
179.05501	0.3
189.05519	0.2
190.47037	0.2
207.13794	0.3
211.54082	0.2
220.66116	0.2
247.13324	0.2
275.09290	0.2
313.07507	0.2
334.92685	0.2
341.10797	1.2
341.14215	0.2
346.14041	0.2
401.16089	6.1
402.16534	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	8.2
65.99702	3.8
67.01742	4.0
68.99677	1.1
69.03307	1.7
71.01236	3.2
75.32523	1.0
79.01749	1.6
81.03315	21.8
88.41576	1.0
89.02318	3.8
95.01253	9.0
97.02812	1.7
101.02335	1.9
107.01238	12.8
107.72211	1.0
108.02032	3.7
109.02818	1.7
121.02813	8.8
123.00744	11.9
123.59930	1.0
125.02319	31.5
125.53025	1.0
145.33745	1.0
147.83704	1.1
151.00255	100.0
152.00912	3.6
153.01781	2.0
165.93320	0.9
179.05598	1.3
193.04976	1.4
268.73541	1.1
270.82187	1.2
313.07208	2.7
341.10913	7.1
350.98389	1.2
401.08527	2.0
401.15939	6.7
401.24286	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2334
Annotation	Dehydrocholic acid
Peak:m/z	Relative Intensity
56.99885	0.3
59.01245	2.7
63.92317	0.4
67.36288	0.5
71.01236	0.9
80.32610	0.5
85.70337	0.4
85.70792	0.4
89.02286	1.2
90.64220	1.3
91.46127	0.4
91.86205	0.5
92.02564	1.2
93.00981	0.6
93.03314	25.3
93.88255	0.4
95.01245	0.6
101.02319	0.6
106.04124	1.4
108.02022	2.3
113.02326	0.7
117.85673	0.5
119.03381	0.7
119.04866	0.6
121.02817	6.4
127.07003	0.4
135.04410	2.3
137.02371	0.6
138.03047	0.6
144.92386	0.5
146.03554	0.9
147.04416	1.3
159.04427	1.2
161.02275	0.7
161.05962	0.9
172.05292	0.9
179.05574	0.9
179.07054	0.8
189.09166	1.0
203.10709	0.8
231.13983	0.6
253.21771	1.9
262.30859	0.5
273.22357	3.5
303.23239	0.7
311.23679	0.7
317.21185	2.9
319.22055	0.9
327.23297	1.3
329.24881	100.0
330.25217	7.3
339.23322	1.8
341.10968	3.1
354.90851	0.4
357.24356	33.4
358.24774	1.9
358.42215	0.4
383.22324	3.5
401.23346	73.0
402.23694	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	401.2335
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
50.17365	0.2
50.96556	0.3
59.01245	2.7
67.01707	0.3
71.01237	1.0
79.49321	0.3
80.02540	1.5
89.02330	1.8
91.72768	0.6
92.02555	0.5
93.03301	0.4
95.01270	0.3
95.04886	0.5
97.06451	2.0
99.08006	0.9
100.40562	0.3
106.04118	1.6
107.04871	1.7
108.02003	0.4
109.02819	1.0
113.02270	0.6
113.09560	0.4
119.03463	0.4
119.04897	5.2
121.02837	4.3
123.04406	3.0
126.02677	0.4
127.07424	0.3
133.06453	1.3
136.08821	0.4
137.08611	0.6
137.09604	7.9
139.11180	4.0
145.02843	0.4
153.09109	1.4
155.10724	0.5
165.09097	0.6
175.11273	0.6
179.05528	1.1
179.07079	0.8
189.12770	1.9
191.14342	0.9
203.14380	3.1
207.13780	0.4
207.54227	0.3
217.16023	0.4
219.13881	13.1
223.21657	0.4
229.15884	0.4
231.17502	3.5
233.15530	0.5
235.13292	1.7
241.15979	1.6
243.17615	1.2
257.15393	0.7
259.17056	5.8
268.75259	0.3
271.17035	0.6
285.18600	0.9
287.16608	0.8
311.23749	2.0
313.25467	2.5
321.22260	0.5
329.25012	1.6
339.23334	7.0
341.10809	2.9
357.24362	5.0
364.67215	0.4
401.23364	100.0
402.23761	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	401.2332
Annotation	Dehydrocholic acid
Peak:m/z	Relative Intensity
50.40897	0.4
51.13559	0.4
52.16743	0.4
52.27403	0.4
59.01241	8.1
61.86899	0.5
63.40820	0.5
69.30171	0.4
71.01232	2.5
80.02536	0.9
81.03310	0.6
83.04884	0.7
85.02789	0.9
85.06424	0.5
86.12290	0.5
89.02301	3.4
91.65238	0.5
91.73386	0.5
93.03301	0.9
97.06451	1.2
99.07982	0.6
101.02285	1.6
106.04105	3.6
107.04887	5.2
108.02074	0.8
113.02291	1.4
113.09576	1.0
119.03383	0.9
119.04885	6.4
121.02836	5.5
123.04404	1.8
133.06451	1.3
135.04358	0.9
137.09714	0.7
139.11160	6.4
145.02875	0.9
146.03543	0.7
159.82516	0.6
175.11180	1.3
179.05637	1.0
179.07059	2.0
179.10638	0.8
189.12759	2.5
207.13742	0.6
211.90921	0.5
214.83231	0.6
215.14365	0.9
216.74471	0.5
217.10193	0.5
217.12198	0.9
219.13902	1.0
229.15990	5.8
231.17601	0.6
233.15398	0.5
234.22789	0.6
235.13287	3.3
243.13783	0.6
243.17496	0.9
245.15408	0.7
246.73431	0.6
257.15457	4.0
257.19244	0.6
259.17026	2.5
273.14865	3.4
285.22284	0.8
301.14325	1.2
311.23828	0.9
313.25397	8.6
319.22849	1.3
321.22186	1.7
329.24854	1.3
339.23285	15.7
340.23599	1.2
341.10901	5.2
357.24368	11.7
358.24524	0.9
401.23337	100.0
402.23648	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	401.2334
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
51.72464	0.2
54.59544	0.3
57.03324	0.3
59.01239	2.2
61.42591	0.3
69.03289	0.3
71.01249	0.9
71.04875	0.4
76.13553	0.3
80.02533	0.5
83.04881	1.1
85.06449	0.3
89.02299	1.3
91.72727	0.8
92.02522	0.7
92.47089	0.2
93.03322	0.6
95.01256	0.4
95.04939	0.3
97.06459	1.0
99.08053	0.4
101.02319	0.6
104.00571	0.2
106.04108	2.9
107.04893	5.3
108.02026	0.8
109.02845	0.6
111.07972	0.3
113.09601	0.4
119.03514	0.4
119.04896	6.5
121.02823	5.6
121.10123	0.5
123.04385	2.3
133.02837	0.4
133.06474	1.7
137.02341	0.5
137.09633	0.4
139.11169	8.9
147.08049	0.4
150.03131	0.8
150.10464	0.4
161.09644	0.7
163.03889	1.7
165.09093	0.4
167.10693	0.4
175.11194	1.4
177.05534	0.4
179.05602	0.6
182.02147	0.9
189.12776	4.3
191.14325	0.3
203.14319	0.6
205.08725	0.5
207.13884	0.8
215.14377	1.2
217.12300	1.1
217.15948	0.3
219.10287	0.5
219.13811	1.8
221.11826	0.6
226.12321	0.3
229.15932	13.4
231.17580	0.8
233.11758	0.7
233.15445	1.5
235.13390	4.2
239.14516	0.7
243.13832	0.3
243.17517	1.0
245.15483	1.0
255.17465	0.6
257.15466	8.1
259.17044	4.1
261.14886	0.3
269.15549	0.4
269.19070	0.3
271.17294	0.5
271.20691	1.5
271.23608	0.3
273.14984	5.1
273.17944	0.2
274.15295	0.4
293.19473	0.3
311.23990	1.5
313.25452	2.4
314.19104	0.3
321.22137	0.7
329.24713	1.4
339.23300	8.1
341.10806	2.7
355.19281	0.3
357.24384	4.3
383.22421	2.5
401.23346	100.0
402.23703	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	401.3062
Annotation	CHEBI:68040
Peak:m/z	Relative Intensity
66.97250	0.2
75.10548	0.2
84.49705	0.3
92.02537	1.8
94.58633	0.6
94.59253	0.4
98.71899	0.2
106.03389	0.4
106.04104	6.8
107.04874	0.6
108.02032	0.5
119.04892	10.4
121.02820	6.7
133.06467	2.9
137.02328	0.5
142.43140	0.2
155.55646	0.2
161.09608	1.0
175.11176	2.1
189.12752	2.4
203.14317	1.7
217.15913	1.1
231.17474	1.5
245.19171	0.3
273.22110	0.3
275.23843	0.3
287.23880	0.2
288.55530	0.2
357.31641	100.0
358.27509	0.4
358.31982	6.7
401.30621	77.7
402.30966	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92387	0.2
57.03300	0.4
59.00015	1.7
59.01244	100.0
59.02303	1.1
60.01584	0.4
68.36022	0.3
71.01251	0.8
81.29271	0.3
85.06489	0.3
89.02311	0.9
92.30040	0.3
96.05481	0.3
96.59235	0.3
99.40917	0.3
119.03405	0.4
121.02808	0.3
124.01574	0.3
141.40079	0.3
179.05664	0.4
179.07071	0.3
209.40933	0.3
227.20203	2.1
233.15352	0.3
237.22232	1.1
279.27042	0.6
288.09546	0.4
339.23288	0.3
339.27301	0.3
341.10806	1.9
341.30637	6.5
401.16397	0.9
401.27295	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58195	0.5
58.95466	0.5
59.01217	0.8
61.98696	7.0
73.49535	1.4
73.49928	1.1
77.85518	0.6
91.68465	0.6
92.02503	1.0
93.03321	5.1
94.03625	1.0
95.01209	0.6
106.04115	4.2
108.02001	1.0
118.63318	0.6
119.04887	8.6
121.02798	6.6
122.03056	0.6
133.06459	3.6
137.02278	0.8
175.11151	0.9
187.63454	0.7
225.75099	0.6
243.32886	0.6
273.22250	100.0
274.22607	6.1
301.25406	0.9
317.21225	80.5
318.21573	5.0
329.24893	9.0
330.25198	18.8
357.24457	2.2
358.24640	5.5
384.22693	0.8
401.23102	4.8
402.18951	11.2
402.23764	13.1
403.24634	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98505	0.1
58.57624	0.1
59.01238	0.4
61.78894	0.1
67.16565	0.1
67.21327	0.1
71.01233	0.3
78.95763	2.1
79.95596	2.3
81.03354	0.1
83.01250	0.2
87.00741	0.1
89.02293	0.3
91.72787	0.2
96.93169	1.1
96.95870	100.0
96.96862	3.7
96.98213	1.3
97.95807	0.2
102.31310	0.2
109.02826	0.2
119.03343	0.1
125.02293	1.7
135.04382	0.2
137.02322	0.7
137.10672	0.2
139.03882	0.6
165.01862	0.4
167.03448	0.3
179.03455	0.4
204.99878	0.6
219.06676	0.4
221.04491	0.2
249.39061	0.2
305.06665	3.4
306.07004	0.2
343.07281	0.2
403.08936	0.9
406.43787	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	403.0332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.1
59.01245	0.3
67.63720	0.1
78.95759	6.3
79.95587	2.2
83.01236	0.2
89.42296	0.1
89.62920	0.1
92.19416	0.1
93.03301	0.2
96.93409	1.3
96.95869	100.0
96.96783	12.2
97.64694	0.1
97.95798	0.3
104.35242	0.1
109.02793	0.4
111.04370	0.3
123.00745	0.3
125.02313	3.5
134.44539	0.1
137.02304	1.3
139.03871	0.9
161.02307	0.2
164.01056	0.4
165.01813	0.9
166.02542	0.2
167.03448	1.1
177.05498	0.3
179.03381	1.0
204.04333	0.1
219.06569	0.8
220.16266	0.1
221.04422	0.4
282.76981	0.1
305.06668	7.0
306.07120	0.5
344.89502	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	403.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08227	0.4
59.01246	5.6
60.99165	0.5
61.98689	1.2
71.01240	1.8
72.99174	0.9
73.02793	0.7
74.98943	1.7
78.95757	0.7
81.03329	0.7
87.00734	10.0
89.02295	1.3
93.03294	0.7
93.22706	0.5
96.95869	2.6
101.02306	1.0
103.66611	0.7
105.07955	0.6
108.02027	26.0
112.04092	0.6
113.02317	0.7
120.99516	1.1
123.04385	12.7
127.93080	0.6
136.99030	1.3
139.03871	2.2
152.01042	59.9
152.06287	0.8
153.01411	1.8
153.05444	1.9
153.18770	0.6
167.03401	100.0
168.03732	2.0
181.04944	1.4
193.04967	0.7
204.99832	0.7
241.07140	2.0
241.10823	0.8
283.69730	0.6
301.09308	1.2
403.12500	15.7
404.13074	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.14
Annotation	Flustramine H
Peak:m/z	Relative Intensity
59.01234	1.5
61.59708	0.9
61.60005	0.5
63.34462	0.3
63.91162	0.4
64.90565	0.8
64.90859	0.5
65.00187	0.4
67.01752	0.7
68.97551	0.3
68.99657	0.4
71.01233	0.7
75.00734	1.1
81.03349	0.6
83.01251	0.4
84.02029	0.4
85.02825	0.5
89.44876	0.4
93.03306	0.6
93.61896	0.3
95.01247	4.5
97.48778	0.3
98.87851	0.4
99.00733	0.4
105.03313	0.4
107.04919	0.9
107.78743	0.4
108.02034	1.1
109.02816	6.4
111.00728	1.7
112.98671	0.5
116.18797	0.3
119.03419	0.3
119.04886	0.5
121.02840	1.5
123.00755	6.4
123.04383	1.5
124.01540	3.5
125.02324	3.1
127.00241	1.2
135.04401	0.4
136.01552	1.8
136.98676	0.9
137.02324	19.7
138.03114	14.0
138.04196	0.6
139.00266	5.1
139.03891	2.9
140.01038	1.1
141.01848	0.6
145.02821	0.6
147.04398	2.9
149.02328	1.9
149.05939	0.4
150.03067	2.0
151.00262	24.5
151.03906	5.9
152.01048	17.4
153.01843	5.7
153.05473	1.4
154.02530	0.6
159.04408	1.5
161.02322	1.0
162.03130	1.8
163.03912	2.5
164.04739	0.6
165.01845	1.0
165.05501	1.6
166.02625	58.4
167.03412	16.4
170.02115	1.6
173.02354	1.2
174.03096	0.7
175.03929	3.8
176.01080	1.1
176.04706	1.3
177.01874	4.5
177.05487	3.0
177.32814	0.4
178.02643	5.7
179.03424	5.2
179.44608	0.4
180.04213	0.7
181.04988	55.3
182.05312	1.1
183.56793	0.4
187.03909	0.4
188.04694	2.5
189.01898	0.7
189.05463	1.1
190.02609	0.9
190.06322	1.6
191.03461	3.4
192.04208	3.3
193.04993	7.7
195.02934	1.9
202.02632	0.5
203.03432	2.0
204.04233	1.3
205.05011	1.3
205.08687	1.1
206.05775	1.7
207.06567	3.6
209.04529	0.8
217.04987	0.9
218.05792	0.5
219.06584	1.1
221.08153	1.9
225.05716	0.7
233.04599	0.5
241.04979	0.5
242.05826	0.5
254.05739	0.5
285.07660	0.5
295.06149	0.5
297.04108	0.6
298.04678	0.5
309.07562	0.5
312.06439	0.7
313.07297	2.0
315.08713	1.6
325.07339	0.6
327.08743	2.7
328.09509	5.8
329.10040	1.0
340.09506	0.6
342.10950	0.6
343.08273	1.2
343.11884	16.8
344.12143	0.6
345.09824	0.7
355.08197	0.8
355.11969	0.8
357.13422	0.5
370.10721	0.6
373.09262	5.9
373.13086	5.9
374.09433	0.4
374.13388	0.5
385.09442	0.7
387.11169	0.8
388.11685	32.5
389.11902	1.7
403.14035	100.0
404.14371	6.8
404.19208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47249	0.5
55.67731	0.4
59.01245	1.6
81.03331	0.5
89.02286	0.6
89.03839	0.5
93.03339	2.7
95.01235	0.5
95.04911	0.6
105.03336	1.6
107.04881	1.7
109.02816	1.3
111.00763	0.5
117.03336	1.3
119.04903	0.7
120.05582	0.5
121.02804	5.2
121.74457	0.5
122.03649	0.7
123.00739	0.5
123.04375	1.3
124.01509	1.4
133.02826	1.8
134.03534	0.7
135.04404	1.5
137.02324	5.9
138.03110	1.5
145.02823	2.2
146.03578	0.4
147.04381	1.1
149.02345	6.4
149.05980	0.4
150.03101	4.0
151.03894	33.6
152.04448	0.5
153.05508	0.9
155.10283	0.4
160.01524	0.6
161.02339	19.4
162.03114	35.7
163.03909	10.4
163.54648	0.6
164.04700	7.5
165.05408	2.3
166.02635	0.6
167.07098	0.8
175.03908	5.5
176.04701	12.6
177.01846	8.1
177.05466	8.6
178.02620	9.0
178.06175	1.7
179.03409	95.6
179.06932	10.8
180.04192	86.2
181.04547	2.4
191.07047	9.3
192.04213	6.1
193.04994	7.5
194.05771	57.1
195.06551	66.5
196.06921	2.2
205.04956	0.6
207.06583	8.2
209.08131	100.0
210.08502	3.1
249.00346	1.1
373.12845	1.8
385.13110	3.5
403.04453	1.6
403.14206	3.0
414.91864	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63375	0.3
53.33459	0.3
57.03322	1.9
59.00136	1.5
59.01244	100.0
59.02521	1.6
60.01596	0.5
60.19590	0.3
61.98688	0.4
63.10971	0.3
68.43924	0.3
71.01241	5.8
73.02800	3.4
83.01243	4.3
85.02796	2.1
87.00735	0.7
88.03458	0.3
89.02291	0.9
91.73347	0.4
93.03342	0.4
96.07399	0.3
96.95867	3.1
99.00733	2.1
101.02306	4.0
107.01366	0.3
107.04904	0.6
109.02840	1.2
113.02312	2.6
115.00279	0.4
115.02116	0.3
119.35928	0.3
120.99493	0.3
121.02817	2.9
123.04449	0.4
125.02363	0.6
127.00247	8.1
127.01153	0.5
135.04410	0.6
143.03423	0.5
143.84622	0.3
145.02959	0.4
153.01805	0.6
159.02895	0.6
161.04454	6.9
166.06261	15.9
167.06952	0.7
178.99802	1.2
181.08624	16.9
182.08939	0.4
189.00327	7.5
189.01862	0.5
197.01112	0.7
205.01483	0.7
207.01381	1.8
223.09756	0.5
235.11917	0.6
241.93634	0.4
264.99481	0.6
289.07138	0.7
297.04190	0.6
303.20959	0.4
315.05557	0.4
320.43240	0.4
367.16098	2.7
403.13522	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	403.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09158	0.4
51.02262	0.6
51.94941	0.3
57.03306	0.3
59.01235	1.7
61.98681	0.9
65.99709	5.6
67.01745	4.2
68.99665	1.3
69.03306	1.9
79.01745	2.4
80.61494	0.4
81.03313	21.1
83.90240	0.4
93.50650	0.5
95.01244	10.1
97.02820	2.7
107.01241	11.4
108.02028	4.3
109.02792	1.6
109.84961	0.4
121.02817	1.4
123.00747	10.0
123.08000	1.3
124.98559	0.5
125.02310	27.9
126.02612	0.8
137.02347	0.5
150.95370	0.9
151.00253	100.0
152.00954	2.6
153.01813	0.7
166.02621	1.1
167.03337	0.6
181.04990	0.8
186.00403	0.5
275.09235	4.1
367.02319	0.5
388.11475	0.8
403.17807	8.7
404.17859	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1976
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
57.03302	2.8
59.00137	1.8
59.01241	86.5
59.02445	1.8
71.01239	56.9
71.02831	1.7
71.68965	1.5
72.99152	2.5
73.02807	11.2
75.00748	1.8
77.05230	1.3
83.01220	3.1
85.02809	16.2
85.03271	3.1
85.75464	1.6
87.00742	2.8
89.01757	3.5
89.02296	55.6
92.50012	1.7
93.03326	2.5
94.94163	1.5
95.01219	4.1
96.95879	2.9
99.00729	5.3
101.02296	40.4
107.94697	1.7
113.02298	26.4
113.24914	1.6
119.03377	23.5
120.18790	1.7
120.99545	10.3
125.02299	2.2
134.03616	18.1
136.01517	2.6
137.02319	4.7
138.18410	1.8
138.80782	1.8
143.03368	4.5
149.04414	3.1
149.05940	6.0
150.03049	4.5
151.03868	5.0
151.54459	1.9
153.01860	2.5
161.04440	19.0
161.09589	4.7
163.11166	3.4
165.05496	3.9
177.29811	1.8
178.02618	16.5
179.05518	6.9
181.04927	2.6
183.13647	1.7
192.90396	1.7
193.04994	44.2
205.03601	2.1
223.13347	72.8
224.13783	2.7
241.14436	18.2
243.02988	2.0
246.89752	1.9
286.01266	2.5
403.14697	5.9
403.19705	100.0
404.20062	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	403.2128
Annotation	CHEBI:67678
Peak:m/z	Relative Intensity
57.03324	0.9
59.01240	14.2
60.08350	0.4
61.98680	0.8
62.52676	0.4
62.58994	0.5
62.71787	0.5
71.04871	1.2
76.90083	0.6
78.95727	0.7
83.87385	0.5
88.79115	1.6
92.02519	1.1
93.03318	0.6
96.20785	0.5
96.80619	0.6
97.06433	0.6
99.07998	2.3
106.04082	3.4
107.04887	1.5
108.01997	1.5
119.04887	10.9
121.02820	9.6
132.05656	0.6
133.06441	2.9
136.05220	0.8
145.02812	1.7
158.40401	0.6
161.09648	0.9
175.11174	1.2
189.12752	4.2
191.10548	0.6
203.14272	3.5
205.12312	1.2
215.14352	2.9
217.15869	0.7
219.13887	2.0
222.15887	0.5
229.15994	0.9
231.13887	0.9
231.17517	11.5
233.15430	7.5
235.13228	0.6
243.17369	0.8
245.15434	1.8
247.17068	3.6
257.19067	0.7
259.17047	16.3
259.20609	2.6
261.18661	1.0
269.21243	1.3
285.22122	0.7
297.22260	9.2
301.21848	0.8
313.21826	1.3
315.23288	99.6
316.23624	6.2
329.24823	1.9
341.21237	23.9
341.24911	2.2
342.21707	1.0
359.22195	8.4
359.26010	10.0
360.26172	0.7
385.20065	4.6
402.23709	0.9
403.21204	100.0
403.25201	29.4
404.21161	6.2
404.26083	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19969	1.1
59.01253	12.3
61.98689	2.4
64.59219	1.3
66.36838	1.2
75.87832	1.4
78.95757	12.0
81.93248	1.3
82.97495	1.4
96.96857	1.9
111.04388	4.5
117.03336	23.3
118.04092	2.7
119.04894	28.9
121.02801	9.6
123.04403	2.6
127.89503	1.4
145.02831	48.0
152.99474	21.3
162.03156	4.3
163.03894	9.1
170.32745	1.7
191.10680	3.2
211.81778	1.6
247.17152	1.6
345.24268	1.9
385.17377	1.9
403.24951	100.0
404.25098	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	403.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19969	1.1
59.01253	12.3
61.98689	2.4
64.59219	1.3
66.36838	1.2
75.87832	1.4
78.95757	12.0
81.93248	1.3
82.97495	1.4
96.96857	1.9
111.04388	4.5
117.03336	23.3
118.04092	2.7
119.04894	28.9
121.02801	9.6
123.04403	2.6
127.89503	1.4
145.02831	48.0
152.99474	21.3
162.03156	4.3
163.03894	9.1
170.32745	1.7
191.10680	3.2
211.81778	1.6
247.17152	1.6
345.24268	1.9
385.17377	1.9
403.24951	100.0
404.25098	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	403.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.0
58.00464	1.9
59.01244	0.4
63.10144	0.4
64.87504	0.3
68.62595	0.3
71.04884	1.0
72.61475	0.5
78.10387	0.4
81.03315	0.4
85.06474	0.4
91.73345	0.5
92.02518	0.5
106.04092	2.1
107.04927	1.3
108.02063	2.2
119.04909	2.6
121.02816	2.6
121.10127	0.6
127.12598	0.4
131.55782	0.5
133.06477	0.5
139.11191	1.9
140.35522	0.4
167.25343	0.4
189.12787	1.1
191.14314	4.4
203.14307	1.9
217.15991	1.3
219.13866	28.2
220.14311	0.9
221.15460	1.6
229.16008	0.7
231.17447	2.8
233.15479	0.6
235.13362	0.6
243.17566	3.7
245.19077	3.6
246.16283	0.5
247.13339	3.1
247.17015	1.1
249.14961	19.7
250.15210	0.8
256.56790	0.5
257.19217	0.4
259.20599	4.7
261.18445	0.5
271.20724	1.3
273.18689	0.5
283.20782	0.8
299.23816	1.0
301.21985	0.6
313.25470	0.6
323.23785	3.8
339.23114	1.1
341.24899	5.5
342.25308	0.7
359.26019	3.3
385.23856	1.6
403.24927	100.0
404.25296	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	403.2492
Annotation	plakortolide S
Peak:m/z	Relative Intensity
51.39461	0.3
54.25011	0.3
56.34703	0.3
57.03300	0.9
58.00446	0.4
58.24994	0.3
59.01258	0.3
65.80170	0.3
70.99721	0.3
92.02524	1.2
93.03360	0.4
99.08006	1.5
106.04108	5.6
107.04226	0.6
107.04890	5.3
108.02031	0.9
113.09576	1.1
119.04097	0.5
119.04897	7.1
121.02808	5.3
123.08033	0.5
129.09085	1.2
133.06494	1.8
139.11156	1.3
161.09682	0.4
164.90758	0.4
168.51169	0.3
175.11269	0.4
189.12756	1.6
191.14404	0.5
195.55832	0.4
201.12810	0.8
203.14354	3.1
215.14348	2.5
217.15919	13.5
218.16302	1.0
219.13850	7.1
219.17459	0.4
227.14510	0.4
229.15919	3.5
231.17509	14.9
232.17848	0.8
233.15369	0.9
239.14426	0.4
241.15889	1.0
243.17487	1.5
245.15460	2.6
245.75397	0.4
247.13350	0.4
247.17009	2.4
249.14896	0.6
259.17047	8.4
289.14462	0.6
313.25479	1.2
315.22995	0.4
318.41006	0.4
323.23703	1.2
331.26318	0.7
341.24869	4.5
359.25925	1.3
393.71036	0.4
403.24915	100.0
404.25241	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	403.2492
Annotation	plakortolide S
Peak:m/z	Relative Intensity
56.05429	0.3
57.03302	0.7
58.22141	0.3
59.01235	0.3
61.98692	2.0
68.66273	0.3
69.37563	0.3
77.24667	0.4
92.02562	0.6
99.08015	1.0
99.88945	0.3
104.07703	0.3
106.04113	3.2
106.04754	0.6
107.04884	2.7
108.02035	0.5
113.09573	0.6
119.04915	3.9
121.02801	3.0
121.10098	0.5
122.03568	1.0
129.09065	0.9
133.06476	1.0
135.04427	1.0
139.11182	2.2
153.12695	2.6
177.12735	1.1
177.30855	0.4
189.12788	1.0
191.05478	0.4
191.14365	1.3
203.14377	1.2
205.12277	14.4
206.12579	0.7
215.14365	1.3
217.15924	4.7
218.16153	0.4
219.13864	12.2
220.14291	0.7
229.15984	1.9
231.17487	5.0
233.15370	2.8
235.13345	1.8
241.16025	0.6
243.17526	0.9
245.15417	1.3
247.13374	1.3
247.17059	1.0
249.14946	1.0
259.16998	2.9
271.76553	0.4
273.18759	0.4
313.25439	1.3
321.24176	0.8
323.23810	1.4
341.24847	3.6
359.25760	1.9
383.18304	0.4
403.24918	100.0
404.25241	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	404.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46328	1.5
51.94295	0.6
55.65608	0.5
57.32137	0.5
58.02840	11.6
58.56584	0.5
59.01253	0.7
66.03329	0.8
70.02808	0.6
71.55882	0.7
72.00742	0.9
72.24066	0.6
74.01944	1.3
74.02326	16.9
82.02831	1.9
84.04408	0.9
85.03910	1.0
86.02333	6.4
86.05926	0.9
86.98937	1.4
87.05489	6.8
87.40986	0.8
89.44746	0.6
89.48512	0.7
90.00038	2.6
97.03933	1.8
99.05494	18.1
101.07064	2.5
102.05471	2.5
107.05984	1.4
109.03944	2.6
109.07574	1.1
111.05481	1.6
112.03886	2.7
113.03445	1.1
116.01627	1.3
123.05509	2.2
124.03875	1.4
125.03414	1.6
127.04994	2.8
128.03400	44.9
131.04497	1.5
135.05522	4.3
137.07074	1.7
141.06580	5.3
143.04500	66.6
143.08929	0.9
144.04898	1.3
145.06021	3.6
146.04457	5.3
149.07127	1.3
153.06598	4.8
155.08147	1.1
157.16216	0.6
160.00624	18.3
163.04860	0.7
164.07043	2.3
166.09738	3.2
167.04524	5.1
167.08150	1.8
170.03212	0.9
171.03967	0.9
171.07639	1.0
177.03307	7.4
179.04533	13.8
181.06105	1.5
184.10829	0.9
184.43085	0.8
185.05577	2.2
191.76614	0.7
192.07687	1.6
197.05672	1.8
198.08740	1.5
206.08168	21.0
210.08806	12.9
228.09853	1.4
242.07820	1.4
254.07803	19.0
272.08902	31.9
273.09128	1.6
274.87576	0.8
288.06635	9.6
306.07654	100.0
307.07993	5.9
350.33615	0.7
404.15131	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42292	0.4
57.03321	3.6
58.13345	0.5
59.01243	52.2
59.02449	1.1
60.01596	0.5
62.20953	0.4
69.03329	1.1
69.56960	0.5
71.01225	2.7
72.99166	1.0
73.02815	0.6
75.00747	0.7
75.45380	0.4
81.03333	2.2
83.01252	3.2
83.04897	0.9
85.02843	1.0
89.02288	3.1
93.03309	2.5
95.01263	1.7
95.04882	2.7
96.95903	0.6
97.02814	8.5
99.00736	0.8
99.04411	0.6
101.02309	2.0
109.02812	9.8
109.03474	0.7
111.04382	6.7
113.02290	2.9
114.51829	0.5
117.16711	0.4
119.03384	1.6
119.04950	0.5
120.99503	0.7
121.02839	1.7
121.06488	0.6
121.10127	0.9
123.00742	4.7
123.04411	1.4
124.01502	3.2
125.02317	64.2
125.06089	0.9
126.02644	0.8
133.02808	0.6
135.04373	2.3
137.02325	28.2
137.05905	0.6
138.03111	1.8
139.03891	16.6
147.04424	1.4
149.02368	1.6
149.05994	1.7
151.03926	1.7
153.01837	1.4
155.03383	0.7
157.14139	0.5
159.04428	1.5
160.05107	0.6
161.02344	2.4
161.04541	1.0
162.03105	1.0
163.03944	0.8
164.01038	6.3
165.01836	21.3
165.05420	0.6
166.02560	1.1
167.03394	15.2
170.11655	0.5
172.05283	0.5
173.06017	1.2
175.03926	3.6
175.07449	0.7
176.04712	0.8
177.01868	3.2
177.05472	5.0
178.02686	1.7
179.03416	17.8
180.04051	0.8
181.04973	1.1
181.12251	1.4
183.10190	37.2
184.10596	0.6
188.05434	0.9
189.05391	0.5
191.07089	2.0
193.05060	1.6
200.04634	0.6
201.05470	1.1
203.03409	3.9
204.04192	2.4
207.10292	2.0
215.07156	1.0
218.05690	1.0
219.06580	14.3
221.04521	8.5
224.17638	0.5
225.11247	1.6
237.04031	1.5
237.07693	0.8
237.11293	1.1
243.06586	2.4
261.07712	4.7
263.05698	1.6
287.05707	1.0
305.06689	100.0
306.07059	5.0
405.08246	27.0
405.16833	1.9
405.21332	1.5
406.08521	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	3.4
59.01241	19.5
69.03325	1.7
71.01231	6.6
72.99165	9.7
73.02805	3.7
74.83176	0.9
75.00729	1.6
81.03317	2.5
83.01244	3.9
83.04861	1.1
85.02800	2.8
87.00734	2.2
89.02294	6.8
90.44403	0.8
93.03314	3.0
95.01245	1.6
95.04866	3.1
96.95885	3.1
97.02817	9.1
99.00773	1.5
101.02309	6.3
108.02027	1.4
109.02822	11.3
111.00766	1.3
111.04373	5.1
113.02301	2.6
119.03377	1.3
119.04788	0.9
121.02829	3.6
123.00764	4.6
123.04411	1.6
124.01535	6.8
125.02316	66.3
126.02709	1.1
135.04407	3.7
137.02330	28.1
137.05917	2.0
138.03090	2.0
139.00287	2.6
139.02812	1.2
139.03896	19.6
140.01065	3.0
147.02928	1.0
147.04346	2.6
149.02348	2.3
149.04434	3.8
149.05946	2.1
150.03145	1.3
151.03923	4.2
152.01003	1.3
153.01822	2.5
159.04446	1.5
159.23282	0.9
159.80238	1.0
161.02377	4.1
161.04439	1.7
162.03116	1.2
163.03920	2.8
164.01048	6.2
165.01837	22.0
165.05531	1.6
166.02554	2.1
167.03407	16.4
170.68233	1.1
175.03893	3.5
177.01913	3.3
177.05516	4.0
178.02670	3.9
179.03423	17.5
182.22302	0.9
183.10266	1.1
187.07458	1.1
190.02611	2.0
191.03474	3.2
191.07106	3.0
193.05026	3.0
200.04701	1.0
201.05475	1.1
201.71519	0.9
203.03427	3.0
204.04254	5.0
204.11572	1.7
205.04999	2.1
205.15953	1.3
206.80133	1.1
209.04552	1.9
211.05991	1.3
215.14391	1.2
218.05751	1.6
219.06581	17.9
221.04515	8.7
227.03662	1.0
233.15587	1.8
237.07634	1.4
243.02983	2.2
243.06706	2.5
261.07629	6.5
261.15039	2.6
263.05563	1.3
271.06137	1.9
273.07794	2.3
273.13504	1.5
280.92728	1.0
301.10815	1.7
305.06677	100.0
306.07074	5.0
315.12280	1.2
327.08948	1.7
330.07489	3.5
345.09808	8.4
345.15552	2.1
357.09659	1.4
357.57486	1.1
369.11853	1.9
375.11002	5.0
390.13449	1.8
405.08130	18.2
405.11996	18.4
405.16565	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	405.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.6
57.08088	0.3
59.01242	16.6
69.48968	0.3
71.01239	6.7
72.99165	2.9
73.02807	1.9
75.00755	0.6
83.01247	1.2
84.50198	0.4
85.02791	2.0
87.00730	8.6
89.02306	1.9
95.01247	0.6
96.95869	6.1
96.96818	0.8
99.00742	1.6
101.02307	3.6
108.02055	0.6
109.02780	0.8
110.79147	0.4
113.02307	2.4
115.00232	3.6
119.03340	1.0
121.02834	0.6
123.04427	0.7
123.34879	0.4
125.02282	0.5
125.05943	0.5
127.04984	0.4
129.01776	0.5
134.03647	0.4
135.04393	0.8
138.98471	1.0
139.99255	92.8
140.03502	1.3
140.99553	1.4
143.03311	0.5
155.01611	100.0
155.06575	1.2
156.01915	2.1
161.04462	6.5
163.03957	0.5
165.09084	0.6
172.59015	0.7
175.00949	0.8
175.02385	10.1
204.11362	0.5
215.14420	0.5
217.15979	0.5
221.06607	0.6
225.02164	1.4
233.15404	1.2
249.06190	5.7
250.54044	0.4
261.14935	0.9
287.11429	1.5
305.13992	0.6
327.14481	0.5
333.13550	0.5
345.15414	1.2
349.12778	0.6
405.07904	4.6
405.12326	1.9
405.17667	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1193
Annotation	Psychrophilin C
Peak:m/z	Relative Intensity
59.01242	4.3
61.98703	0.8
63.78392	0.7
69.03295	1.2
71.61166	0.8
72.97523	1.5
72.99163	100.0
73.00992	1.2
80.26995	0.8
81.03294	2.3
82.19537	0.9
83.04875	0.8
85.02806	0.7
88.03928	0.8
91.72676	1.0
93.03302	1.0
94.92345	1.2
95.76428	0.9
97.02797	4.0
102.99213	0.8
109.02821	2.3
111.04375	1.5
115.64121	0.8
121.02799	1.1
121.06453	4.7
121.10096	1.0
125.02300	4.2
134.03600	1.1
135.04344	1.2
135.11618	1.2
137.02219	0.9
147.04395	3.1
149.05981	5.1
149.09546	1.2
153.09065	1.8
157.06467	1.0
158.07289	2.1
163.11217	1.1
165.01851	1.6
167.03439	0.9
169.01331	2.4
170.07259	2.9
173.05984	1.6
175.03935	2.4
175.07565	1.8
185.05980	1.4
186.06798	2.5
187.07501	1.2
199.14806	1.1
202.06381	1.0
203.07056	1.2
203.14406	2.8
204.11531	8.1
205.12184	5.1
205.15874	8.7
206.16447	1.1
214.06265	1.4
215.14345	6.7
217.12177	2.3
217.15910	5.8
220.35774	2.1
227.14406	5.4
231.13867	1.6
232.11012	3.0
233.11824	1.4
233.15416	16.3
234.15875	1.3
243.13875	12.0
245.15514	6.9
247.13382	0.9
255.13998	1.5
259.13547	4.2
261.14932	16.6
262.15436	1.1
271.13480	4.9
273.15063	1.2
277.14374	2.5
287.12912	9.7
289.14355	4.3
299.20160	1.3
305.13959	12.9
309.19241	2.0
315.12411	3.7
331.11899	9.3
333.13495	4.5
345.16882	1.3
349.12912	18.5
350.13318	1.5
361.12921	1.9
361.20218	1.4
377.12338	2.1
401.25253	1.1
405.11929	75.9
405.18802	4.8
405.26361	1.7
406.12323	5.3
406.19708	1.0
429.97281	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1192
Annotation	Psychrophilin C
Peak:m/z	Relative Intensity
59.01235	3.2
62.03031	0.6
68.99685	2.4
69.03318	1.8
71.01254	1.1
72.97585	1.6
72.99165	100.0
73.00933	1.7
73.02792	1.0
74.65038	0.6
74.93217	0.7
76.69659	0.8
81.03307	3.0
83.04867	0.8
87.34028	0.7
93.03315	1.6
95.04866	1.2
97.02814	11.9
107.04884	1.4
109.02850	0.9
111.04330	1.2
113.02319	1.4
121.02837	1.0
121.06464	3.9
123.04381	0.8
125.02307	11.3
126.03116	1.1
133.06506	1.5
135.04364	0.9
137.02304	1.5
147.04420	4.7
148.05089	0.9
149.05957	3.5
149.09590	1.4
151.11205	1.3
153.01830	1.1
153.09129	0.8
158.02084	1.1
158.07268	1.0
159.04408	0.8
163.11082	0.9
165.01848	2.4
167.03365	4.6
169.01312	7.0
170.07318	1.3
171.08118	1.0
173.05969	0.9
174.06749	1.0
175.03937	1.6
175.07535	2.7
179.10699	2.5
182.05765	1.7
183.04433	0.9
185.06030	2.2
186.06754	2.6
189.12709	1.1
193.08649	1.0
198.01807	0.8
201.05533	1.6
203.07007	5.8
203.14386	1.1
204.11476	4.7
205.12267	2.5
205.15918	6.6
214.04672	1.7
214.06464	1.6
215.14365	4.7
217.15833	4.4
218.03734	0.8
221.04541	0.9
227.14348	3.0
231.06508	0.9
231.13838	1.6
232.10963	1.2
233.11784	1.1
233.15425	11.7
237.03989	0.8
243.13913	8.7
245.15443	4.6
247.06085	2.1
259.13452	2.9
261.14993	20.0
262.15308	0.9
269.11914	1.2
271.13379	3.6
277.14401	3.0
285.11377	1.0
287.12921	9.2
288.13248	1.0
289.14465	3.2
293.06741	2.6
303.12424	1.4
305.13959	31.2
306.14212	1.3
315.12369	2.0
331.11880	7.9
333.13535	5.2
349.12946	13.6
350.13364	1.2
361.02924	0.8
361.12631	1.0
367.13864	3.8
368.14011	0.8
377.12485	3.5
405.11880	54.5
406.12299	5.7
423.12918	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1194
Annotation	Psychrophilin C
Peak:m/z	Relative Intensity
52.33899	0.7
57.03310	1.1
58.00452	1.3
59.01243	12.1
71.01254	4.5
72.99165	48.9
73.00790	1.0
73.02800	3.2
73.42215	0.8
75.00710	2.0
75.60550	0.8
75.97549	0.8
85.02812	1.7
87.00734	2.7
88.97182	1.1
89.02293	3.2
93.03304	1.3
97.02831	3.2
99.62226	0.8
101.02311	2.2
108.02022	19.3
109.02849	5.3
112.88620	0.9
113.02314	1.6
121.02814	5.1
123.04404	3.8
141.73524	1.0
145.02838	2.0
147.04303	1.4
152.01024	2.2
153.09021	1.0
153.12756	3.8
157.53456	0.9
161.04506	0.9
165.05493	0.9
167.03369	4.5
172.07968	0.9
174.03169	0.9
181.12212	1.1
183.10190	4.5
186.24072	0.9
197.06021	1.1
199.13332	17.0
202.17534	0.8
213.05544	10.5
221.11816	2.0
225.05553	1.6
225.11292	2.5
226.06335	1.9
227.07030	4.2
228.07924	1.4
239.07259	1.1
241.08643	5.4
243.06792	1.4
243.07841	1.3
243.10236	14.0
243.12421	1.8
255.06699	2.5
257.08325	1.2
257.11865	5.3
269.08243	4.1
271.09882	1.5
271.26440	1.1
283.09695	5.0
284.10483	1.8
285.07852	1.8
285.11240	2.4
298.08383	1.3
299.09305	2.5
299.12930	5.6
300.10062	3.1
315.08887	3.4
315.12378	56.4
316.12662	3.4
325.11249	1.6
329.10266	12.0
343.11862	16.6
361.13300	2.0
361.18762	7.8
405.11996	100.0
405.17542	14.5
406.12137	7.1
406.16528	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	6.6
65.97321	0.5
68.99693	0.6
71.01241	2.4
72.99168	6.9
73.02808	1.2
74.98946	0.7
83.01247	0.9
84.73412	0.5
85.02808	0.9
87.00744	1.6
89.02310	1.2
93.03345	0.9
93.32491	0.7
95.01260	0.8
96.95867	2.7
97.02792	0.9
99.00719	0.9
101.02289	1.1
107.04889	0.8
108.02021	1.6
108.49159	0.6
109.02782	3.0
109.99958	0.6
111.00764	3.6
113.02306	0.6
117.03331	0.9
119.03415	0.6
119.04877	0.8
120.99508	0.8
121.02838	1.0
123.00751	2.8
123.04400	1.1
124.01538	17.2
125.01447	1.0
125.02321	15.4
127.00269	1.9
133.02835	1.2
134.03616	1.3
135.04381	1.6
136.98720	2.6
137.02324	3.1
137.05980	0.6
138.03096	1.6
139.00255	10.0
139.03880	9.1
140.01041	12.7
145.02859	2.3
147.04483	3.6
149.02304	0.9
149.05939	1.0
150.03148	1.6
151.00340	0.8
151.03891	1.2
152.01042	3.8
153.01799	2.4
159.04350	1.6
161.02316	3.2
162.03085	1.7
163.03914	8.7
164.04688	2.7
166.02589	1.1
167.03387	2.7
167.10674	0.8
173.02403	1.8
175.03944	2.1
176.01089	0.9
176.04718	1.3
177.01846	5.1
177.05528	0.7
178.02641	6.0
178.06163	3.1
179.03398	14.1
181.05025	0.7
181.12306	1.6
183.10144	0.9
189.01837	2.9
190.02628	7.4
191.03424	6.3
192.04257	1.5
193.01366	0.7
193.04987	5.4
194.05435	1.0
195.03099	0.7
195.05484	1.1
201.01894	1.0
201.05450	0.7
202.02698	1.2
203.03532	1.1
204.04230	3.5
205.05022	12.1
205.12323	0.8
206.05713	2.5
207.02950	0.8
207.06541	0.9
209.04594	1.4
210.01651	1.1
211.52548	0.7
220.03722	1.0
221.04523	1.5
225.11296	1.4
233.15427	1.7
235.06194	0.9
243.06587	4.7
243.14024	1.0
261.14807	1.0
295.11908	2.0
298.04736	0.7
299.05698	0.8
305.13928	1.0
309.04120	1.0
310.04947	0.7
313.07407	0.8
313.12918	2.9
315.05005	2.8
315.12579	0.8
330.07437	13.9
331.08142	0.8
334.38275	0.6
342.07397	1.8
345.09814	47.0
346.10159	2.8
349.12949	1.5
357.10019	2.0
369.11905	7.2
375.06967	0.9
375.10956	12.6
376.11453	0.8
390.09729	5.0
405.11963	100.0
406.06644	1.1
406.12183	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	405.1193
Annotation	Psychrophilin C
Peak:m/z	Relative Intensity
59.01242	6.6
65.97321	0.5
68.99693	0.6
71.01241	2.4
72.99168	6.9
73.02808	1.2
74.98946	0.7
83.01247	0.9
84.73412	0.5
85.02808	0.9
87.00744	1.6
89.02310	1.2
93.03345	0.9
93.32491	0.7
95.01260	0.8
96.95867	2.7
97.02792	0.9
99.00719	0.9
101.02289	1.1
107.04889	0.8
108.02021	1.6
108.49159	0.6
109.02782	3.0
109.99958	0.6
111.00764	3.6
113.02306	0.6
117.03331	0.9
119.03415	0.6
119.04877	0.8
120.99508	0.8
121.02838	1.0
123.00751	2.8
123.04400	1.1
124.01538	17.2
125.01447	1.0
125.02321	15.4
127.00269	1.9
133.02835	1.2
134.03616	1.3
135.04381	1.6
136.98720	2.6
137.02324	3.1
137.05980	0.6
138.03096	1.6
139.00255	10.0
139.03880	9.1
140.01041	12.7
145.02859	2.3
147.04483	3.6
149.02304	0.9
149.05939	1.0
150.03148	1.6
151.00340	0.8
151.03891	1.2
152.01042	3.8
153.01799	2.4
159.04350	1.6
161.02316	3.2
162.03085	1.7
163.03914	8.7
164.04688	2.7
166.02589	1.1
167.03387	2.7
167.10674	0.8
173.02403	1.8
175.03944	2.1
176.01089	0.9
176.04718	1.3
177.01846	5.1
177.05528	0.7
178.02641	6.0
178.06163	3.1
179.03398	14.1
181.05025	0.7
181.12306	1.6
183.10144	0.9
189.01837	2.9
190.02628	7.4
191.03424	6.3
192.04257	1.5
193.01366	0.7
193.04987	5.4
194.05435	1.0
195.03099	0.7
195.05484	1.1
201.01894	1.0
201.05450	0.7
202.02698	1.2
203.03532	1.1
204.04230	3.5
205.05022	12.1
205.12323	0.8
206.05713	2.5
207.02950	0.8
207.06541	0.9
209.04594	1.4
210.01651	1.1
211.52548	0.7
220.03722	1.0
221.04523	1.5
225.11296	1.4
233.15427	1.7
235.06194	0.9
243.06587	4.7
243.14024	1.0
261.14807	1.0
295.11908	2.0
298.04736	0.7
299.05698	0.8
305.13928	1.0
309.04120	1.0
310.04947	0.7
313.07407	0.8
313.12918	2.9
315.05005	2.8
315.12579	0.8
330.07437	13.9
331.08142	0.8
334.38275	0.6
342.07397	1.8
345.09814	47.0
346.10159	2.8
349.12949	1.5
357.10019	2.0
369.11905	7.2
375.06967	0.9
375.10956	12.6
376.11453	0.8
390.09729	5.0
405.11963	100.0
406.06644	1.1
406.12183	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	405.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.7
57.03323	1.9
58.00457	0.7
59.00100	1.1
59.01244	73.1
61.63018	0.7
62.04148	0.5
62.60238	0.5
69.84781	0.5
71.01241	31.9
72.99167	9.7
73.02802	7.7
73.03136	0.6
75.00738	0.7
80.42453	0.5
80.94972	0.6
83.01243	5.9
85.02805	14.8
85.03297	0.9
87.00768	1.6
87.64655	0.5
89.02296	21.9
91.73352	0.8
95.01277	2.4
95.82569	1.4
95.83131	0.9
99.00757	3.0
101.02303	32.7
111.00745	0.8
113.02310	15.3
119.03374	13.1
125.02317	0.8
130.23175	0.7
131.03380	1.5
137.58533	0.6
143.03375	1.7
149.04443	0.7
153.38426	0.6
154.33080	1.1
159.02948	0.9
161.04449	2.9
165.09166	0.7
165.63263	1.1
179.05609	1.4
182.02203	0.7
183.10233	2.4
191.82903	0.6
193.31764	0.7
201.11288	2.3
214.57907	0.6
218.95581	0.5
232.28822	0.6
243.06566	1.2
317.16086	3.5
343.17422	1.0
345.15561	23.7
346.15836	1.7
354.21768	0.7
363.16638	83.4
364.16940	4.2
405.17679	100.0
406.18036	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	405.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	1.2
59.00009	0.6
59.01242	35.4
59.02335	0.5
59.33902	0.3
63.70633	0.4
65.41157	0.4
68.13103	0.3
69.03311	0.6
71.01237	13.1
72.99164	13.4
73.00674	0.4
73.02805	6.2
75.00722	0.5
83.01234	2.8
85.02801	5.1
85.99960	0.6
87.00737	1.1
88.03937	0.4
89.02296	7.0
95.01236	1.0
99.00729	1.1
99.94355	0.4
101.01640	0.8
101.02298	11.5
103.18532	0.4
113.02302	5.5
119.03367	3.2
120.99496	0.4
121.06400	0.6
125.56987	0.4
128.60307	0.4
131.03400	0.4
142.38138	0.4
154.33038	1.2
155.10609	0.7
161.04489	1.3
165.09126	0.5
166.75374	0.4
168.39111	0.4
183.10167	2.9
185.58264	0.4
193.38506	0.4
195.71092	0.4
201.11282	3.9
225.11230	0.6
244.65756	0.4
317.16052	1.7
333.19037	0.6
345.15549	5.3
363.16632	17.8
364.17062	0.7
373.83887	0.5
387.16782	0.7
405.17673	100.0
406.18036	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	405.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.6
58.99989	1.5
59.01243	98.6
59.02314	1.4
60.01573	0.7
60.45120	0.4
61.98682	0.7
62.97325	0.4
67.65771	0.4
71.01242	3.5
72.99165	3.0
73.02811	1.6
75.00740	0.5
82.91772	0.4
83.04910	0.7
85.02805	1.5
85.06480	0.5
89.02311	2.7
92.25624	0.4
95.01247	0.7
95.04970	0.5
96.95898	0.9
97.02814	0.7
98.03632	0.5
99.00768	0.4
99.04397	1.2
101.02312	2.6
109.02797	0.8
113.02325	2.3
119.03361	1.8
119.40966	0.4
121.10127	1.0
123.00698	0.8
125.02323	1.7
126.43655	0.5
135.04381	1.0
137.02332	0.7
137.09573	0.7
139.03928	0.8
139.11133	2.1
161.04471	1.7
163.06985	0.5
176.04770	0.4
179.05431	0.5
181.12180	0.7
183.10187	100.0
184.10556	2.4
197.11806	0.6
207.10176	1.8
225.11292	1.1
233.15364	0.7
237.11322	0.7
243.16031	0.9
261.14966	1.2
271.13419	0.5
273.13367	0.6
305.06583	0.8
315.77408	2.1
345.15042	0.8
405.11429	2.9
405.16220	1.9
405.21362	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	405.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48204	0.3
51.79535	0.3
57.03305	1.7
59.00975	0.5
59.01242	6.7
61.23940	0.4
61.98687	1.2
71.01232	0.8
72.99155	0.9
73.02794	0.7
81.00230	0.6
83.04881	1.2
96.95889	0.8
101.02289	1.0
105.35255	0.4
107.50278	0.4
113.02312	0.5
121.06482	1.1
125.02290	0.6
125.47319	0.4
128.03339	0.4
137.02365	0.7
176.20322	0.6
184.12302	0.4
211.14886	0.8
253.16237	0.8
253.19534	1.6
267.17569	0.9
269.19122	8.6
271.20685	5.2
285.07767	2.5
297.18585	5.7
315.19690	24.9
316.20041	1.5
333.20737	100.0
334.21054	6.4
369.01880	1.6
405.11478	1.0
405.20453	0.6
405.25293	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78566	0.6
55.01749	0.6
57.03307	1.2
59.01234	2.0
59.18260	0.7
65.03809	2.4
67.01759	0.7
69.03309	1.6
71.01234	1.7
71.04886	3.2
72.99170	3.6
73.02806	3.6
73.44048	0.4
78.95747	1.4
81.03307	6.0
83.01244	4.9
83.04877	16.1
85.02793	0.8
92.02520	0.6
93.01022	1.0
93.03313	75.8
93.05873	0.8
94.03658	1.1
95.01273	0.6
95.04906	0.6
96.02032	1.4
99.00748	1.0
99.04359	1.9
101.05944	2.9
106.04101	3.5
108.02013	1.2
109.02814	1.1
111.00746	2.0
111.01402	0.6
111.04379	37.3
112.04703	0.6
113.02305	0.5
113.09614	0.9
119.04903	5.2
120.54904	0.5
121.02792	2.9
133.06453	1.7
137.02321	46.9
137.06897	0.6
138.02686	0.9
139.22177	0.5
142.99765	0.9
149.05969	0.6
152.99510	0.9
154.98483	1.2
154.99796	2.4
155.03389	57.5
156.03784	1.2
159.25330	0.5
161.09520	0.5
171.00557	1.2
173.04457	5.7
189.12891	1.1
203.14366	0.7
204.11635	0.6
205.15915	0.9
215.14365	0.7
217.15907	0.9
219.13867	2.6
227.14308	0.8
231.17505	3.3
233.15457	2.8
243.17606	0.6
245.15414	1.2
245.19171	0.8
247.17062	2.6
249.18579	26.2
250.19040	1.3
257.19208	0.8
259.20660	19.8
260.21027	1.7
261.15155	0.8
261.18668	1.4
271.20715	1.6
275.20218	0.9
285.22122	0.7
287.20056	1.1
287.23715	0.8
289.21823	1.9
291.19684	0.8
299.23792	17.9
300.24164	0.6
301.21826	0.6
305.13879	1.0
317.24774	2.9
325.25330	6.5
339.22922	0.7
341.24832	4.1
342.89508	0.9
343.26370	3.9
349.12872	0.7
359.26093	0.9
361.27667	6.4
362.11688	0.6
405.11948	5.9
405.26572	100.0
406.12244	0.7
406.26996	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	405.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78576	1.1
57.03313	1.1
59.01228	2.0
59.18261	0.8
65.03834	4.4
69.03307	0.7
71.01237	0.7
71.04877	1.6
72.99162	2.7
77.62530	0.6
78.95762	0.9
81.03307	4.5
83.01244	0.9
83.04871	12.1
91.72672	1.6
93.03313	94.2
94.03644	1.9
95.01235	0.8
95.04893	0.6
96.02000	1.3
101.56322	0.6
102.11839	0.6
106.04108	2.6
107.04891	1.1
108.02036	2.4
111.04380	29.3
112.04749	0.9
119.04883	2.1
121.02829	4.6
137.02318	81.5
138.02650	1.8
154.98198	1.1
155.03387	89.6
156.03760	1.5
189.12810	1.0
203.14395	1.2
205.12291	5.4
205.15927	1.2
217.15930	2.3
219.13907	1.5
226.10860	0.7
227.14320	0.8
231.17528	1.1
233.15520	4.1
234.15695	0.9
243.13860	2.3
243.17561	1.5
245.15607	1.6
247.16934	0.9
247.20628	1.4
249.18576	15.8
250.19026	1.4
257.19113	1.3
259.20731	1.2
261.14862	1.8
261.18600	1.2
263.16586	2.7
271.13354	0.7
271.20691	2.8
275.20126	6.0
287.23853	1.9
289.21771	1.3
299.23688	0.7
301.21692	1.0
303.23386	4.9
305.13998	1.9
325.25397	1.1
331.26437	1.0
341.24863	4.9
342.89432	1.0
343.22604	1.1
343.26389	11.1
344.26913	0.8
359.25919	6.3
361.27505	24.0
362.27719	1.8
405.12051	8.9
405.26480	100.0
406.12201	0.9
406.26871	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	405.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69151	0.9
58.69966	1.1
59.01238	6.1
72.98782	1.2
72.99164	13.5
73.69746	0.6
78.93985	0.8
78.95759	48.5
96.96815	7.0
97.02821	0.8
106.04106	2.2
107.04935	1.0
111.04404	0.8
112.35609	0.6
117.03263	1.7
119.04903	5.1
120.05192	0.8
120.22234	0.7
121.02828	3.5
121.06475	2.1
125.02281	1.0
133.06505	1.0
145.02853	1.8
146.03168	1.9
147.04526	0.9
149.06030	1.9
150.97916	1.7
152.99472	100.0
153.99825	1.1
163.11093	1.0
167.34235	0.8
170.07262	1.4
171.00540	4.2
174.43678	0.8
175.03909	0.9
186.06770	0.9
191.10670	2.5
203.14323	4.7
204.11499	2.9
204.14658	0.9
205.15929	3.1
214.38623	0.7
215.14392	2.2
217.15970	2.1
219.13750	1.7
227.14316	3.5
231.13867	1.4
233.15404	8.7
243.13861	3.4
245.15482	3.5
247.17078	2.7
251.20154	0.9
259.13428	1.0
261.14951	5.1
271.13467	2.2
277.14417	1.0
285.22333	0.7
287.12918	1.9
289.14523	1.7
299.23816	8.5
305.13983	4.0
313.25516	1.5
325.25375	3.7
333.13184	1.3
343.26398	4.3
349.12878	4.9
359.26190	1.5
361.27457	7.8
387.21844	1.0
404.25583	1.3
405.07635	0.7
405.11942	30.4
405.20712	6.2
405.26321	48.5
406.12231	2.0
406.21130	1.6
406.26825	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	405.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.4
59.01242	1.6
59.98918	0.4
63.65333	0.3
72.99171	2.7
73.99659	0.4
78.19232	0.4
78.95766	3.9
85.06458	0.5
86.04084	0.3
89.70971	0.3
92.02538	0.7
95.57859	0.5
99.08025	0.8
106.04115	1.9
107.04878	0.9
111.79769	0.4
115.07484	0.4
119.04893	5.2
119.99873	0.4
121.02819	2.7
125.02225	0.4
129.09090	0.6
133.06493	1.4
145.02840	0.6
152.99477	7.7
175.11209	0.6
177.09155	0.5
177.12784	1.4
189.12880	0.6
205.12285	7.2
215.14366	0.6
217.15918	1.1
219.13919	1.3
219.17482	0.9
229.15958	0.5
231.14000	0.9
231.17520	14.0
233.15434	1.0
243.13828	0.7
245.15456	0.9
245.19084	3.7
246.87692	0.5
247.17001	8.2
261.15125	0.7
261.18628	3.0
285.22266	0.7
299.23758	2.9
303.23401	0.8
305.14087	0.8
313.25427	8.1
313.68796	0.4
315.23068	0.8
315.26559	0.5
317.24844	2.0
323.23758	0.7
325.25381	7.8
329.24765	0.9
331.26410	1.6
341.24796	0.9
343.26413	5.4
344.26703	0.6
349.13000	0.7
359.26059	2.7
361.27502	11.8
399.15536	0.4
405.12164	4.8
405.26471	100.0
406.26852	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2646
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
57.03313	0.6
59.01243	2.0
72.99172	0.4
83.70174	0.3
85.06437	0.9
91.48130	0.3
91.73392	0.3
92.02528	0.4
93.03337	0.4
95.57867	0.5
106.04073	1.0
107.04886	7.6
107.58438	0.3
108.02012	2.1
108.02658	0.4
119.04890	0.9
119.38141	0.3
121.02799	1.4
122.00160	0.3
122.03600	17.9
123.03922	0.4
124.01534	0.3
125.88897	0.4
135.04390	7.2
137.02295	0.7
149.05980	0.8
154.02583	0.9
155.55408	0.4
191.10660	0.7
205.12273	1.0
219.13820	1.6
233.15405	1.6
245.19308	0.3
247.16985	0.5
247.20711	0.4
259.20697	1.1
261.18634	1.7
261.21945	0.3
270.53033	0.4
271.20679	0.4
275.20200	10.6
289.21774	2.8
291.19690	9.5
292.20261	0.6
305.21362	0.5
315.23410	0.4
325.25397	0.8
331.09045	0.3
343.26443	13.5
344.26752	1.1
359.25967	4.1
360.26224	0.4
361.27499	40.9
362.27768	2.6
405.26474	100.0
406.26794	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	405.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84097	0.4
72.76817	1.0
72.77172	0.5
77.20522	0.4
79.17616	0.4
97.06483	0.5
105.82484	0.6
106.04106	2.1
119.04877	0.8
121.02821	2.0
141.12726	1.9
163.11288	0.5
170.06227	0.5
189.12769	0.7
191.14349	9.6
217.12459	0.6
218.17471	0.5
219.13866	44.5
220.14114	0.6
229.77617	0.5
233.15434	0.7
235.13350	0.8
248.14212	1.3
269.46478	0.5
331.26459	6.5
338.51715	0.5
341.25085	0.7
341.47168	0.5
343.26532	1.3
359.25900	4.4
361.27542	10.9
405.26489	100.0
406.26688	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2648
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
59.01232	1.1
72.98827	0.4
72.99166	3.2
73.18378	0.3
76.85830	0.3
78.95761	4.3
88.70562	0.4
92.02534	0.8
99.08018	1.0
101.59406	0.3
106.04099	2.8
107.04877	1.3
108.02051	0.4
116.81821	0.4
117.03291	0.4
118.03663	0.3
119.04900	7.8
120.05199	0.5
121.02824	4.4
121.06473	0.3
128.33789	0.3
129.09058	0.8
132.36125	0.3
133.06470	2.4
145.02831	1.2
146.03194	0.6
147.08096	0.4
149.05998	0.3
152.99474	6.3
161.09708	0.7
169.03500	0.3
171.55240	0.3
175.11217	1.0
189.12747	0.8
191.10693	0.5
203.14322	0.8
204.11519	0.8
205.12263	0.7
205.15919	0.5
215.14415	0.7
217.12390	0.3
217.15884	0.8
219.13910	1.3
227.14406	0.5
231.15178	0.6
231.17511	12.7
232.17943	0.5
233.15550	1.4
233.19067	1.3
243.13982	0.6
245.15407	0.6
245.19185	0.9
247.17029	4.0
259.17236	0.3
261.15067	1.3
261.18613	14.1
262.19003	0.6
271.13309	0.4
275.20471	0.4
285.22205	1.9
289.14325	0.6
296.37155	0.3
299.23737	0.6
301.21863	0.5
303.23486	1.5
305.13913	1.0
313.25397	20.8
314.25784	1.4
315.26941	0.8
323.23920	0.9
325.25394	15.5
326.25748	1.1
329.24677	0.3
331.26297	0.6
333.13721	0.4
341.24905	1.3
343.26440	5.1
349.12985	0.9
356.36398	0.3
359.26157	0.3
361.27496	4.6
404.25336	0.9
405.12152	5.7
405.26477	100.0
406.12366	0.4
406.26825	7.9
412.63968	0.3
425.78491	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01730	1.2
57.03320	2.5
59.01244	7.7
64.42908	1.1
65.86763	1.0
67.67630	1.2
69.03310	4.2
71.04878	3.7
73.02798	3.5
80.02532	3.1
81.03314	17.8
84.02024	16.1
86.71198	1.7
86.71680	1.3
97.02821	2.2
98.03592	26.6
99.03815	1.8
99.04387	15.6
108.01325	2.1
108.02039	27.0
122.03612	7.2
126.03103	11.5
135.04391	3.7
235.13354	5.5
277.25351	1.8
289.25311	8.1
301.25452	9.8
303.26868	1.2
315.26913	35.9
317.24948	7.1
317.28433	1.8
319.26425	42.8
320.26819	2.0
331.26373	2.1
333.28024	100.0
334.28378	3.7
343.26443	32.9
361.27499	90.0
362.27686	4.2
387.25522	3.1
405.11816	2.8
405.26489	37.1
406.26624	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	405.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
72.76846	0.9
78.65019	0.5
85.00190	0.4
92.02636	0.5
98.21777	0.5
106.04087	2.5
117.50239	0.5
119.04878	0.8
121.02824	2.2
141.12737	1.8
183.16478	0.5
189.12801	1.3
191.14357	10.8
219.13863	41.8
220.14340	0.6
235.13455	0.7
240.20532	0.6
248.14229	1.2
331.26453	5.9
333.27963	1.4
341.25378	1.0
343.26495	1.1
359.25995	4.5
361.27502	10.4
405.26495	100.0
406.26822	4.1
421.65613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2649
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
58.00461	2.9
71.01229	0.4
72.76802	0.4
72.77161	0.4
76.92072	0.3
78.27517	0.6
78.27907	0.2
91.72768	0.3
92.02512	0.3
93.26671	0.4
95.90906	0.2
106.04081	1.6
107.04906	0.3
110.45648	0.3
119.04896	1.2
121.02802	1.4
145.01300	1.1
154.33105	0.3
189.12761	1.2
191.14339	6.3
201.12730	0.4
203.14381	1.9
217.12318	0.5
219.13861	48.7
220.14136	0.6
221.15437	3.6
226.64134	0.3
229.12320	0.5
231.13921	0.7
233.15486	0.7
235.13390	0.8
245.15553	0.3
247.13380	5.6
247.16167	0.4
247.17082	0.5
249.14952	35.2
250.15294	0.6
305.19333	0.3
325.25351	5.4
341.24854	0.4
343.26486	1.5
359.26184	0.4
361.27527	1.7
405.26486	100.0
406.26749	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	405.2647
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
53.28963	0.8
65.19391	0.8
68.41125	0.8
74.20490	1.0
84.28549	1.3
89.08054	0.9
89.39352	1.1
91.72675	1.1
92.02546	3.2
94.49461	0.9
99.08021	5.6
106.04102	10.5
107.04903	2.1
108.02042	2.2
114.46949	0.9
119.04890	24.5
121.02821	9.1
133.06430	5.4
137.02336	1.3
150.03116	29.1
152.01027	3.0
161.09647	4.8
162.39674	0.9
163.03903	24.3
163.05190	1.5
175.11194	6.4
177.05476	6.5
182.02112	11.9
189.12721	4.7
203.14357	11.8
205.08597	2.2
215.14415	1.2
217.15910	5.5
219.10249	4.4
219.13884	1.3
231.17540	19.1
233.11841	3.5
243.17509	6.3
245.19102	5.3
247.13344	9.0
257.19202	2.0
259.20670	75.1
260.21078	3.3
261.15039	3.0
261.18616	2.4
263.20309	1.3
269.19049	2.7
273.18695	2.9
275.16440	1.7
275.20157	1.3
287.20184	30.0
288.20538	1.2
289.18423	1.6
289.21738	6.7
290.19003	1.2
294.14951	1.4
301.21619	2.2
303.16016	4.0
303.19266	2.4
322.17810	1.5
325.25317	1.5
327.27155	1.3
329.25394	1.3
331.19162	83.0
332.19470	3.6
343.26434	100.0
344.26746	6.8
361.27521	3.0
371.26080	2.1
387.25452	69.4
388.25818	3.8
405.11887	2.0
405.26459	26.1
406.27161	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	405.2647
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
59.01233	0.4
72.99167	1.7
78.95766	0.4
81.03294	0.4
82.71210	0.3
85.06415	0.4
93.03302	1.6
93.08246	0.5
93.08754	0.4
101.73070	0.3
106.04092	0.7
107.04869	0.6
107.26924	0.3
107.99160	0.5
108.02031	34.9
108.05220	0.4
109.02345	0.8
111.04399	0.4
112.52038	0.3
113.09534	0.4
119.04908	0.6
121.02822	13.2
121.06550	0.4
122.03627	5.1
123.04405	1.4
134.03610	1.9
135.04404	1.5
137.02324	1.0
149.06062	0.4
152.01012	1.5
155.03432	0.4
177.09120	0.8
189.12743	0.5
191.10693	0.8
203.14369	0.7
204.11519	0.6
205.12132	0.4
215.14421	0.5
219.13885	2.2
227.14441	0.4
229.15967	0.4
229.94147	0.3
231.17572	0.5
232.14595	0.4
233.15456	1.6
235.13449	0.3
243.17593	0.5
245.15488	0.4
246.16270	0.3
247.17017	1.2
249.14879	0.5
249.18669	0.4
251.89299	0.3
261.15045	0.5
261.18582	1.4
262.19229	0.3
263.20135	0.4
274.19427	2.6
275.20187	15.1
276.20502	1.0
280.50504	0.3
287.23648	0.5
290.18997	0.3
291.19675	10.5
292.19778	0.5
305.13956	0.5
325.25394	0.6
341.24884	1.6
342.25623	1.8
343.26437	26.7
344.26752	1.9
359.25961	2.0
360.26758	1.5
361.27499	15.4
361.32138	0.6
362.27872	1.2
405.11920	2.8
405.26477	100.0
406.26810	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	405.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00069	2.1
59.01243	100.0
59.02577	1.1
60.01576	0.5
60.35965	0.2
60.57491	0.2
71.01244	0.2
72.99171	2.8
78.09946	0.2
91.03859	1.3
97.02825	0.4
106.24547	0.2
111.56129	0.3
119.04893	0.3
121.06486	0.5
145.02852	0.2
149.06042	0.3
170.07314	0.4
175.07530	0.2
204.11456	0.5
205.15970	0.9
214.06104	0.3
215.14467	0.6
217.15985	0.7
227.14444	0.5
233.15446	1.1
243.13879	0.5
245.15465	0.4
261.15079	0.9
271.13538	0.5
271.22818	3.2
273.15036	0.3
287.13104	0.3
305.14050	0.9
349.13202	0.8
387.25647	0.3
405.11932	5.4
405.17197	0.3
406.12839	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.9265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16536	0.7
51.25650	1.0
53.75857	0.8
59.01237	1.5
62.72570	1.0
71.01229	1.5
72.99171	8.5
76.29861	1.4
78.65408	1.1
93.43817	1.3
117.34418	1.0
136.93877	14.1
152.48914	1.1
167.61098	1.0
180.94417	0.9
190.94991	11.5
194.92961	41.8
195.93095	4.2
202.93488	37.4
203.93687	4.0
218.93015	5.2
220.94580	37.9
221.94685	4.7
230.93001	2.7
232.94589	15.1
245.15498	1.6
246.92551	7.2
248.94086	64.9
249.94186	6.2
250.92032	5.8
250.95634	3.1
252.93494	2.4
258.92535	31.5
259.92673	3.7
262.92090	1.4
264.93619	5.5
272.90491	18.6
272.93195	1.2
273.90622	3.0
274.92047	23.2
275.92209	2.1
276.93597	16.9
277.93887	1.4
292.93246	2.7
302.91577	2.4
335.14853	1.8
346.90344	8.1
351.14642	5.4
364.91602	52.4
365.91733	6.7
381.94174	1.4
382.92651	100.0
383.92810	13.5
407.13519	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	407.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26311	1.1
55.01748	1.3
57.03313	2.6
59.01251	7.2
61.98696	2.7
69.03304	2.1
70.84589	1.3
71.01228	3.6
71.04877	3.8
72.16380	1.2
72.99167	78.8
73.02808	9.2
81.03301	3.2
83.04860	2.2
85.78249	1.5
91.05402	2.6
93.06983	1.5
95.04893	2.3
97.02818	2.7
99.04378	5.4
106.04121	1.7
107.04864	2.5
108.02065	2.2
109.02789	2.1
111.04406	2.2
113.02310	7.8
117.06969	13.2
119.04895	3.8
121.02800	2.3
121.10077	2.4
123.04367	6.2
123.08051	3.4
125.02325	5.1
133.06454	4.8
135.08035	6.8
137.02347	1.7
137.05937	2.8
139.11107	2.1
141.01823	1.6
145.06447	3.0
149.02287	2.4
149.05963	4.9
149.09641	2.0
150.50989	1.4
151.00285	2.4
151.07559	2.6
151.11177	1.5
152.01021	1.7
157.06538	1.5
159.04413	8.2
161.04610	2.1
161.05946	12.4
163.11194	3.1
164.08275	1.7
165.09111	1.7
167.10637	2.1
171.08067	3.0
172.08882	5.7
173.05843	1.9
175.11247	7.0
177.05472	3.6
177.12744	4.1
179.07062	2.9
179.14337	5.8
185.05986	2.7
187.03841	2.1
187.07593	3.9
188.08409	3.5
189.05551	2.0
189.12801	3.1
190.09978	1.8
191.10780	2.9
191.14426	2.9
195.06628	2.6
199.07526	1.7
199.11375	1.7
201.12663	1.7
203.03433	3.6
203.07030	4.3
205.04973	2.6
205.12141	1.7
205.15959	2.4
207.13899	2.8
207.17490	3.9
215.07062	1.8
215.14523	2.0
216.11574	4.2
217.12299	5.1
217.15878	8.6
218.09442	4.2
219.10257	1.9
227.14397	3.8
229.15947	27.2
232.14656	2.4
233.11836	5.7
233.15430	4.2
235.13344	2.2
235.16989	7.5
245.11783	4.2
245.15433	12.9
247.13380	2.0
247.16991	11.1
255.13884	6.8
257.15482	9.6
260.10611	2.0
263.16541	4.5
271.13358	7.3
272.75000	1.7
273.14941	15.0
275.16498	9.6
277.14322	2.6
279.16098	3.0
289.14471	10.9
291.09247	2.5
291.16058	8.9
301.14563	9.0
301.17871	1.8
307.15555	5.7
317.07004	4.2
317.13968	5.7
319.15500	22.8
333.13483	11.1
335.14981	11.4
345.13345	3.2
351.14514	100.0
352.14847	5.0
363.14499	19.2
371.01971	3.1
379.14047	5.3
389.16345	1.9
407.13406	42.1
413.08521	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	407.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62437	1.0
55.82338	1.1
57.02724	1.1
57.03323	1.8
58.02813	1.1
59.01243	56.5
61.98676	4.5
67.62906	1.0
71.01234	19.0
72.99158	5.3
73.02805	5.2
74.98956	1.8
78.91721	2.0
83.01221	2.0
83.30692	1.1
85.02792	8.3
87.00729	2.7
89.02289	11.0
89.05908	1.3
93.03304	3.1
95.01271	1.7
96.95887	3.8
98.95449	4.3
99.00703	1.8
101.02303	14.6
108.02025	1.8
113.02303	9.3
115.03865	1.7
116.59070	1.2
119.03361	5.4
121.02819	3.5
122.03591	10.4
133.02820	1.2
136.01558	1.2
136.99037	2.1
137.02353	1.2
149.02348	11.6
150.03113	67.9
151.03683	2.0
152.01044	2.9
159.02887	2.0
161.04466	11.3
163.04021	1.3
165.05450	18.4
165.09261	1.6
167.03407	2.7
179.05551	2.4
180.04285	2.4
181.14580	1.3
194.02127	16.8
207.08560	1.9
209.04501	100.0
210.04813	2.9
224.03200	1.6
239.05591	61.9
240.05850	1.4
242.99745	1.9
245.17567	2.4
267.12714	1.4
268.64136	1.7
302.89032	1.4
319.12094	4.4
347.17136	28.7
351.14514	3.0
407.05179	2.1
407.09268	1.7
407.13773	9.6
407.19159	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	407.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62437	1.0
55.82338	1.1
57.02724	1.1
57.03323	1.8
58.02813	1.1
59.01243	56.5
61.98676	4.5
67.62906	1.0
71.01234	19.0
72.99158	5.3
73.02805	5.2
74.98956	1.8
78.91721	2.0
83.01221	2.0
83.30692	1.1
85.02792	8.3
87.00729	2.7
89.02289	11.0
89.05908	1.3
93.03304	3.1
95.01271	1.7
96.95887	3.8
98.95449	4.3
99.00703	1.8
101.02303	14.6
108.02025	1.8
113.02303	9.3
115.03865	1.7
116.59070	1.2
119.03361	5.4
121.02819	3.5
122.03591	10.4
133.02820	1.2
136.01558	1.2
136.99037	2.1
137.02353	1.2
149.02348	11.6
150.03113	67.9
151.03683	2.0
152.01044	2.9
159.02887	2.0
161.04466	11.3
163.04021	1.3
165.05450	18.4
165.09261	1.6
167.03407	2.7
179.05551	2.4
180.04285	2.4
181.14580	1.3
194.02127	16.8
207.08560	1.9
209.04501	100.0
210.04813	2.9
224.03200	1.6
239.05591	61.9
240.05850	1.4
242.99745	1.9
245.17567	2.4
267.12714	1.4
268.64136	1.7
302.89032	1.4
319.12094	4.4
347.17136	28.7
351.14514	3.0
407.05179	2.1
407.09268	1.7
407.13773	9.6
407.19159	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	407.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62437	1.0
55.82338	1.1
57.02724	1.1
57.03323	1.8
58.02813	1.1
59.01243	56.5
61.98676	4.5
67.62906	1.0
71.01234	19.0
72.99158	5.3
73.02805	5.2
74.98956	1.8
78.91721	2.0
83.01221	2.0
83.30692	1.1
85.02792	8.3
87.00729	2.7
89.02289	11.0
89.05908	1.3
93.03304	3.1
95.01271	1.7
96.95887	3.8
98.95449	4.3
99.00703	1.8
101.02303	14.6
108.02025	1.8
113.02303	9.3
115.03865	1.7
116.59070	1.2
119.03361	5.4
121.02819	3.5
122.03591	10.4
133.02820	1.2
136.01558	1.2
136.99037	2.1
137.02353	1.2
149.02348	11.6
150.03113	67.9
151.03683	2.0
152.01044	2.9
159.02887	2.0
161.04466	11.3
163.04021	1.3
165.05450	18.4
165.09261	1.6
167.03407	2.7
179.05551	2.4
180.04285	2.4
181.14580	1.3
194.02127	16.8
207.08560	1.9
209.04501	100.0
210.04813	2.9
224.03200	1.6
239.05591	61.9
240.05850	1.4
242.99745	1.9
245.17567	2.4
267.12714	1.4
268.64136	1.7
302.89032	1.4
319.12094	4.4
347.17136	28.7
351.14514	3.0
407.05179	2.1
407.09268	1.7
407.13773	9.6
407.19159	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	407.135
Annotation	Ginkgolide A
Peak:m/z	Relative Intensity
57.03299	0.9
59.01233	2.2
65.79973	0.7
69.03326	1.0
71.01238	3.0
71.04874	2.9
72.99165	42.7
73.02824	4.3
73.03172	0.8
81.03299	1.1
83.04862	2.5
91.05395	1.3
93.03307	1.1
95.04865	2.2
97.02821	1.4
99.04359	4.0
106.04083	1.1
107.04876	2.3
107.13282	1.1
109.02883	0.8
111.04385	1.3
113.02319	2.9
117.06947	5.4
121.02865	1.3
121.06458	1.7
123.04380	2.1
123.08004	2.0
125.02336	3.3
125.09576	1.1
127.03863	2.8
133.06500	5.1
135.04451	0.8
135.07999	2.5
137.05907	1.5
139.11172	1.7
145.06445	1.5
149.02286	1.5
149.05966	4.7
149.09596	1.7
151.07542	2.1
151.11160	2.1
158.03702	1.1
159.04413	3.7
159.08006	1.3
160.08836	1.1
161.05989	6.6
163.11195	1.7
167.10606	1.2
171.04318	1.0
171.07999	1.0
172.08804	3.9
175.11180	2.4
177.05444	1.4
177.12805	2.1
179.07056	0.9
179.10693	1.9
179.14339	3.2
181.12268	1.8
185.05943	1.4
186.06686	0.9
187.03885	1.2
187.07573	1.5
188.08325	1.8
189.12776	1.9
190.64235	1.0
191.10672	1.6
191.14333	1.7
200.08426	0.9
201.12723	1.0
203.07059	2.3
203.14423	1.6
205.12268	1.2
205.15930	1.7
207.10251	2.5
207.13628	1.1
207.17517	2.1
216.11455	2.7
217.12410	2.1
217.15953	13.2
218.09441	2.8
219.17409	1.6
224.84560	1.0
227.10828	1.2
227.14394	2.5
229.15955	14.6
233.11792	3.1
233.15419	5.8
235.17029	6.6
245.11749	2.3
245.15466	17.3
247.13237	1.5
247.17053	6.6
255.13892	3.2
257.15430	5.0
260.10574	1.5
261.14926	3.3
263.16541	4.6
271.13376	3.5
273.15030	7.0
275.16589	6.3
276.16547	1.0
277.14484	1.7
277.87018	1.0
279.16058	1.8
289.14444	8.4
291.16022	4.6
301.14337	3.7
307.15433	6.0
317.13879	2.1
319.15482	9.1
333.13467	8.8
335.15164	6.6
345.13431	1.2
351.14502	100.0
352.14957	5.6
363.14490	9.2
379.14038	1.2
407.13364	28.0
407.18335	1.9
408.13873	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	407.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95955	0.4
54.24927	0.6
61.13650	0.6
62.58781	0.6
64.59209	0.5
68.04780	0.7
69.03313	1.8
72.76075	0.6
72.99162	5.0
73.02783	1.1
83.04881	2.7
85.48904	0.7
95.04871	1.0
97.02797	1.9
99.04375	6.2
108.79578	0.6
111.04364	0.8
115.03864	3.1
121.02818	0.9
122.03607	0.8
125.02349	1.1
126.22251	0.6
127.03855	4.7
131.04883	1.0
133.06487	1.2
149.05977	1.3
149.09624	0.9
151.07564	4.8
151.11203	2.2
153.12747	2.0
159.04436	3.2
159.08057	2.1
165.12727	0.6
179.07062	1.9
181.12239	10.0
187.07532	1.8
188.08377	1.4
207.10356	0.9
209.11731	4.4
215.14326	4.9
216.11494	1.0
217.15935	42.4
218.16275	2.8
227.14262	0.9
233.15405	1.4
234.12637	1.4
235.16937	1.4
243.13887	1.6
245.15451	40.5
246.15796	2.9
261.15009	2.2
263.16507	7.1
279.15970	0.8
289.14526	6.4
307.15521	2.0
317.14706	0.6
333.13467	30.5
334.13751	2.3
351.14511	100.0
352.14807	8.4
379.13953	1.7
407.13425	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	407.1347
Annotation	Vilmorinine A
Peak:m/z	Relative Intensity
57.03298	1.7
68.99668	1.8
71.01228	2.1
71.04874	4.8
72.99166	93.2
73.00739	1.5
73.02792	7.3
74.11493	1.3
81.03307	2.7
83.04886	2.7
91.05378	4.6
93.03306	2.8
95.04903	3.6
96.14404	1.6
97.06435	1.9
99.04377	4.4
105.07021	1.6
105.55144	1.5
106.04041	1.7
107.04928	3.4
111.04364	2.6
113.02311	3.6
113.71469	1.3
117.06966	13.9
121.02789	2.0
123.04404	6.4
123.08006	4.6
125.02322	8.6
133.06461	5.8
135.08035	6.2
137.05946	2.7
139.11194	2.7
145.06487	2.4
147.04445	2.4
149.02322	2.2
149.05952	5.1
149.63979	1.4
157.06531	2.7
159.04408	8.3
159.08116	2.1
161.05927	12.8
161.13338	2.2
163.11176	1.4
167.10715	2.4
171.08119	2.1
172.08861	9.3
175.07603	2.0
175.11205	5.2
177.05530	2.7
177.12747	6.5
179.07033	2.9
179.14326	5.4
187.03908	1.9
188.04723	1.9
189.12813	3.7
190.09915	1.9
191.10754	1.9
191.14342	4.4
195.19896	1.6
199.07642	1.8
200.08305	3.6
203.03369	2.9
203.07040	5.4
205.04926	2.2
205.12305	3.3
207.17462	4.7
211.14874	3.8
215.14603	1.9
216.11536	4.9
217.12267	3.3
217.16011	8.9
218.09393	3.1
219.10287	2.0
227.14339	4.9
229.12434	2.2
229.15919	31.5
233.11781	4.5
233.15460	2.9
235.13332	2.1
235.16983	8.5
245.11662	3.2
245.15440	15.3
247.13342	1.6
247.17072	13.8
255.13904	5.8
257.15442	12.8
260.10593	3.8
261.11386	1.8
261.14960	3.1
263.16495	3.4
271.13345	7.3
273.14996	15.7
275.16479	9.9
279.16049	3.4
289.14545	12.0
290.59326	1.7
291.16006	8.6
299.12866	3.4
301.14359	10.5
307.15399	7.5
317.13943	5.1
319.15485	20.7
333.13443	14.1
335.15033	18.3
336.15085	2.0
345.13495	4.2
351.14499	100.0
352.14758	7.1
363.14526	26.9
367.13895	6.3
379.13989	4.7
407.13452	54.6
408.13599	3.3
423.13104	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	407.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	5.1
63.85224	1.1
63.85489	0.6
65.85544	0.8
71.01223	1.0
81.33560	0.5
86.98692	1.3
87.00731	60.1
87.03002	1.0
87.46251	0.6
89.02297	1.5
90.51767	0.7
93.29086	0.7
94.87041	0.7
98.09983	0.6
101.02280	0.8
113.02324	0.8
113.24272	0.6
119.03344	0.9
125.02296	1.2
134.03619	8.7
134.08258	0.7
135.04399	10.6
136.01582	3.3
137.02356	0.9
147.04401	0.9
149.06001	4.6
151.03889	4.7
153.05479	4.6
161.04497	0.9
161.57170	0.6
185.06021	1.7
197.05957	0.7
199.36151	0.6
200.22055	0.6
212.04698	1.2
213.05533	13.3
214.06120	0.8
223.03928	2.4
224.04689	1.8
230.61865	0.8
240.04301	1.1
241.05043	77.5
242.05412	2.4
243.29478	0.6
256.07407	54.4
257.07806	1.4
271.09766	100.0
272.10080	2.6
319.11880	15.1
345.13583	1.4
347.17200	1.7
377.12665	1.0
389.12466	2.4
407.13498	27.9
407.18988	1.4
408.13632	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00081	0.4
59.01247	3.5
61.98691	3.4
71.01237	0.7
72.00768	6.2
72.99152	1.0
74.02331	12.9
89.02240	0.5
93.03328	0.9
96.32805	0.5
96.95863	1.9
101.02311	0.4
113.02348	0.5
116.01603	0.6
116.04926	34.5
117.05224	0.6
128.03326	0.7
130.06506	1.0
133.55513	0.5
141.11884	0.5
142.06520	9.6
143.04446	0.5
155.04530	0.6
159.09167	6.6
186.05534	1.8
191.05521	1.8
191.12459	0.5
203.08200	100.0
204.08577	4.1
217.15953	0.8
341.10699	0.6
351.14389	2.0
407.13071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98776	0.5
59.00100	2.1
59.01241	100.0
59.02544	1.5
60.01592	0.7
61.18809	0.5
61.98716	1.4
63.57621	0.8
71.01256	4.0
72.99171	1.0
73.02816	2.0
79.27522	0.5
85.02829	1.7
89.02311	2.3
101.02302	3.9
113.02304	1.9
153.85974	0.9
161.04520	1.1
169.60608	0.6
172.16032	0.7
180.00087	0.7
196.59561	0.6
197.07628	0.6
203.12828	0.8
300.02866	1.2
347.17206	4.5
351.14938	0.7
365.18039	3.4
407.19125	16.5
408.19992	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92249	0.4
55.06084	0.2
57.03309	0.4
58.99896	1.0
59.01240	100.0
59.02407	2.0
60.01575	0.5
71.01236	2.1
73.02802	1.5
83.01251	0.5
85.02822	1.0
89.02318	1.1
91.73361	0.4
99.00784	0.5
99.78915	0.3
101.02292	2.2
113.02297	1.6
133.04948	0.7
143.10684	0.4
161.04462	1.2
237.38779	0.4
273.17178	0.3
284.03284	0.9
305.16162	2.4
345.19321	0.4
347.17068	2.1
365.18234	1.5
407.19110	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99865	0.6
59.01242	100.0
59.02457	1.9
60.01581	0.6
69.78687	0.2
71.01241	1.9
73.02805	0.6
83.01256	0.4
85.02798	0.9
89.02306	1.8
101.02295	1.2
102.05473	0.3
113.02301	1.0
119.03398	0.8
133.04990	0.6
138.66910	0.2
143.10738	0.2
144.70760	0.2
161.04517	0.8
287.15210	0.3
305.16013	1.9
347.17072	1.5
382.73022	0.2
407.19177	0.6
408.16864	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00184	1.2
59.01243	100.0
59.02476	1.8
60.01577	0.9
61.98692	0.5
64.93469	0.2
67.41718	0.2
67.83494	0.2
71.01241	9.8
72.16603	0.2
72.99168	1.9
73.02811	0.6
73.81310	0.3
75.00751	0.3
81.03321	0.3
83.01253	0.7
83.86500	0.3
85.02815	1.4
86.68259	0.2
87.00740	1.7
89.02298	16.8
93.03332	0.7
95.01255	0.3
96.95866	1.6
97.02829	0.3
99.00751	0.8
101.02304	6.0
106.44702	0.3
109.02820	0.5
110.39968	0.2
111.00735	0.3
111.04373	0.3
113.02311	4.9
115.00251	1.0
119.03371	7.7
121.64664	0.3
124.01532	0.5
125.02365	0.5
129.01767	0.3
131.03398	1.1
134.03642	0.3
135.04384	2.0
137.02307	0.4
137.05879	0.3
141.86424	0.2
142.99794	0.4
143.03397	1.8
145.02852	1.9
149.04468	0.9
150.03152	0.3
151.03891	0.4
155.03366	0.3
159.02933	0.4
161.04446	2.9
161.05847	0.4
163.03899	1.3
165.01849	1.1
179.03447	1.0
179.05534	9.5
189.01846	0.4
197.87465	0.3
204.99818	0.8
207.02974	0.8
213.05598	0.3
231.10295	0.4
241.00192	1.2
241.04982	0.6
245.15532	0.5
256.07315	0.4
271.09915	0.9
313.12900	0.4
335.15152	0.4
347.17172	5.7
351.14368	1.7
374.06271	0.4
375.12985	1.0
391.32883	0.3
407.02676	0.8
407.07483	0.3
407.13467	1.2
407.18875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.2
58.00465	0.6
59.00162	1.5
59.01241	100.0
59.02458	1.8
60.01576	0.7
61.98678	0.6
63.33382	0.6
71.01236	18.4
72.99171	4.5
73.02804	6.6
74.61047	0.5
75.00728	2.5
83.01256	2.9
83.04898	1.1
85.02798	10.2
87.00727	1.7
89.02290	9.8
95.01251	0.9
96.55591	0.6
96.95879	3.7
97.02822	1.0
99.00733	2.3
101.02300	18.5
109.02833	1.3
113.02309	10.3
119.03405	3.5
124.01575	0.9
125.02346	2.0
131.59335	0.6
137.02325	1.6
143.03375	1.7
147.04404	0.7
155.44821	0.6
159.02908	2.2
161.04457	19.0
165.30447	0.6
170.84734	1.0
171.04437	0.7
172.83173	0.6
175.59241	0.7
179.03494	1.0
179.05542	1.9
217.04958	1.0
221.11938	1.0
235.05547	0.6
245.04541	9.1
295.12024	0.9
319.12268	0.8
346.10471	0.9
347.10260	2.1
347.17108	41.4
348.17493	1.9
351.14667	1.6
369.11996	3.8
377.11536	1.1
407.13220	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	407.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35212	0.4
57.03312	1.6
59.01243	18.3
67.01760	3.8
67.97601	0.5
71.01239	17.2
71.61617	0.5
72.99160	3.1
73.02797	1.1
78.95293	1.1
78.95762	20.7
79.52196	0.5
83.01241	4.1
83.04896	0.6
85.00752	0.7
85.02805	51.0
86.98588	0.8
87.00732	59.1
88.01066	0.7
96.96810	2.4
101.02226	0.5
111.00705	2.1
112.98655	3.6
113.02313	1.9
115.00236	48.9
116.00589	0.7
129.01802	10.2
130.03114	0.6
139.00351	0.7
150.97890	0.8
152.99474	33.5
157.01323	56.7
158.01630	1.1
163.03940	0.7
171.00606	0.7
174.17815	0.6
175.02393	27.5
205.19658	1.6
217.15921	0.8
231.17513	1.0
245.15492	1.3
247.17113	1.3
249.18591	100.0
250.18874	6.6
299.23810	0.7
333.13513	1.0
344.05313	0.6
351.14670	4.1
351.36398	0.6
352.14749	0.9
403.75665	0.6
406.26862	1.8
407.20819	48.8
407.27164	2.5
408.20993	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	407.2205
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
54.94194	0.2
59.01242	0.3
59.17116	0.2
62.96244	0.2
63.36524	0.3
65.97375	0.2
72.99161	0.8
78.93755	1.2
78.95758	97.3
78.97491	1.4
82.25124	0.2
83.04901	0.3
85.06451	0.7
85.47459	0.3
93.03311	1.8
96.96815	9.6
111.04376	0.4
115.07530	0.4
121.02823	0.4
137.02361	1.2
150.97917	1.8
152.94078	0.8
152.99471	100.0
153.04181	1.2
153.99825	1.1
155.03418	1.2
170.94231	0.6
171.00540	75.1
171.06142	0.7
172.00905	0.6
198.34019	0.2
217.16029	0.6
232.18007	0.3
242.98589	0.2
245.15440	0.6
247.20686	1.3
251.20068	0.3
259.20737	0.4
275.20129	2.9
305.21191	0.5
325.18448	0.9
327.26962	1.0
333.13400	0.5
345.27374	0.4
351.14508	1.4
359.26114	0.4
361.27490	2.0
363.29141	1.8
389.04813	0.3
406.26544	0.3
407.13379	0.5
407.22104	4.7
407.28009	11.4
408.22885	0.3
408.28168	1.0
418.51294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2205
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
51.78051	0.4
55.32481	0.4
58.00461	0.6
58.81050	0.6
59.01237	1.9
73.15723	0.5
73.40524	0.5
74.58383	0.4
78.95761	94.8
78.97653	1.4
84.27815	0.4
85.06444	2.0
96.96822	7.6
102.81166	0.5
107.04863	0.4
115.07502	1.4
119.04908	0.9
121.02815	1.0
137.62320	0.4
145.02820	1.5
150.97939	1.6
152.99477	100.0
153.99854	0.5
171.00543	62.5
171.06563	0.7
183.01199	1.1
185.54083	0.5
247.20590	3.5
259.20648	1.2
275.20166	9.1
276.20538	0.6
277.21082	0.6
305.21249	1.2
325.18378	1.4
327.26855	1.5
345.27863	0.7
346.17490	0.5
351.14401	0.9
359.25867	1.4
361.27472	4.3
363.29019	7.0
364.29266	0.6
371.22095	3.0
406.26819	1.7
407.17435	5.0
407.22141	11.0
407.28009	35.3
408.28455	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2206
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.01237	0.8
59.17137	0.5
61.19920	0.2
72.99164	1.0
73.02789	0.2
78.94034	0.6
78.95760	47.7
78.97744	0.7
81.03293	0.2
85.02815	0.2
87.00721	0.4
88.98668	0.3
89.02299	0.5
96.96822	5.6
103.46792	0.2
150.97917	1.7
152.94806	1.0
152.99474	100.0
153.04883	0.9
153.99774	1.4
171.00551	4.1
171.02054	0.4
175.02383	0.2
217.15964	0.8
229.15970	0.4
245.15515	0.9
249.18419	0.2
253.21724	1.8
256.26419	0.2
263.16809	0.3
289.14655	0.2
289.22156	0.2
317.21051	0.3
333.13376	0.9
335.14963	0.2
351.14459	3.2
361.27594	0.3
363.14447	0.4
363.29111	0.4
369.15399	0.3
407.13339	0.6
407.22089	8.9
407.27744	2.1
408.22540	0.6
413.86310	0.4
413.91470	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	407.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06481	0.6
55.01743	1.0
57.03305	0.7
58.04392	0.6
59.01236	4.1
62.87039	0.5
67.43250	0.7
69.03313	2.7
71.01234	1.1
71.04871	2.5
73.02802	2.0
76.13934	0.7
78.68189	0.6
80.02548	3.6
81.03311	12.4
83.01235	0.9
83.04900	0.8
84.02018	9.7
87.21671	1.2
95.04895	1.0
97.02813	1.4
98.03590	25.9
99.04378	12.5
108.02028	28.0
122.03565	2.0
126.03091	9.2
135.04379	0.8
156.30591	0.6
157.11890	0.8
195.10271	0.6
265.25366	1.5
289.25314	0.7
291.26984	7.2
293.28592	2.9
295.26248	0.8
303.26932	7.6
307.30072	1.8
317.28494	26.0
318.28824	2.4
319.26404	4.1
319.30029	2.3
320.27371	1.0
321.27960	26.3
322.28430	1.4
333.28009	0.8
335.29575	100.0
336.29919	4.9
345.27994	18.3
363.29068	59.3
364.29404	3.9
389.26965	3.4
407.27969	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	407.2803
Annotation	Haemulcholate
Peak:m/z	Relative Intensity
53.14120	0.7
55.01750	1.0
57.03303	0.8
58.00461	0.7
59.01242	4.3
69.03320	3.6
71.01218	1.0
71.04880	1.9
72.12549	0.6
73.02809	1.7
80.02544	4.5
80.02932	0.8
81.03320	13.6
82.93616	0.7
83.04911	0.8
84.02024	9.6
87.21684	1.0
88.42920	0.6
95.04865	0.9
97.02840	2.1
98.03596	25.1
99.04381	14.4
100.01514	0.9
108.02036	25.3
122.03612	1.9
126.03097	7.9
126.03981	1.0
127.35387	0.8
135.04337	0.9
168.92245	0.8
233.15688	0.9
265.25439	2.4
265.35349	0.8
289.25409	1.5
291.26926	8.8
293.28604	2.3
303.26974	7.2
307.30072	1.2
317.28497	25.7
318.28845	2.4
319.26437	5.1
319.30032	2.1
320.27097	0.9
321.28015	25.8
322.28412	1.5
333.28137	1.1
335.29587	100.0
336.29990	9.8
345.27991	18.3
346.28250	1.5
363.29074	59.2
364.29462	6.3
389.26984	4.3
407.28107	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	407.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00457	1.5
59.01229	0.4
72.99157	0.2
78.93872	0.3
78.95760	21.4
78.97457	0.3
78.97848	0.2
82.89750	0.2
83.04883	0.5
85.04338	0.2
85.05935	0.4
85.06442	6.6
87.07990	0.2
91.73328	0.2
92.02497	0.4
94.35973	0.2
96.08426	0.2
96.96832	1.6
106.04104	1.5
107.04899	0.4
112.18589	0.2
113.05946	1.2
114.06707	0.2
115.07517	4.5
119.04893	1.5
119.05617	0.2
121.02813	1.7
127.11136	0.3
133.06418	0.3
133.59216	0.2
150.97894	0.3
152.94385	0.3
152.99472	20.9
153.99780	0.2
157.12225	0.4
171.00548	12.0
191.92619	0.2
198.00635	0.2
205.15967	1.1
217.15955	0.7
233.15451	3.0
245.15527	0.3
245.19147	0.5
247.20659	10.4
248.21019	0.6
257.19153	0.3
259.20703	3.5
263.16562	0.5
273.18524	0.9
275.20193	24.1
276.20456	1.6
277.21686	0.8
303.19650	0.5
304.20404	0.4
305.21216	4.7
315.27219	0.3
325.18405	0.7
327.26968	6.0
328.27344	0.5
331.26468	2.6
341.24878	0.4
343.26300	1.1
344.26602	0.3
345.28012	2.0
346.28058	0.2
351.14490	0.7
359.26016	3.0
360.26144	0.3
361.27521	13.0
362.27863	1.0
363.29068	20.6
364.29388	1.8
371.22266	0.5
407.28043	100.0
408.28372	8.9
408.33920	0.4
428.53259	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	407.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	1.4
58.81074	0.3
75.15380	0.2
78.95758	24.3
78.97625	0.3
82.89743	0.2
83.04876	0.4
85.06442	7.1
92.02527	0.4
96.96809	2.2
99.08035	0.3
106.04107	1.8
107.04874	0.2
113.05951	1.2
114.06745	0.2
115.07507	4.2
119.04890	1.1
121.02823	1.4
127.11128	0.6
127.91701	0.2
133.06471	0.3
149.27228	0.2
150.97949	0.6
152.99471	25.4
153.04527	0.3
153.99794	0.3
171.00537	14.6
175.11221	0.2
192.48511	0.2
198.64566	0.2
201.36024	0.3
205.15884	1.3
217.15933	0.9
233.15436	3.9
245.15483	0.4
245.19058	0.6
247.20663	10.5
248.21002	0.4
252.04532	0.5
259.20642	3.6
263.16577	0.5
273.18619	0.4
275.20178	22.4
276.20569	1.5
277.21561	0.6
303.19681	0.4
304.20465	0.4
305.21219	4.6
315.27139	0.5
325.18396	0.5
327.26944	6.5
328.26953	0.3
331.26434	2.5
333.27985	0.3
343.26541	0.9
345.28018	1.6
351.14438	1.0
359.26016	3.5
360.26172	0.4
361.27502	14.1
362.27856	1.1
363.29068	21.0
364.29431	1.6
371.22278	0.6
407.28030	100.0
408.28369	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	408.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92263	0.5
59.01242	8.3
60.01557	0.5
61.98693	100.0
62.00046	1.8
66.33755	0.6
71.01249	2.5
72.99171	2.6
73.02786	0.5
79.95604	1.3
85.02821	1.3
87.00713	0.7
89.02306	2.6
91.00257	1.6
93.03325	2.6
95.04884	1.1
96.95868	27.5
98.92885	0.6
99.00751	1.8
99.29832	0.6
101.02335	2.4
109.02843	2.3
111.04330	1.0
113.02379	1.2
119.03419	1.2
121.02862	2.7
123.04394	6.1
136.04778	0.8
137.02350	2.2
137.05988	0.6
138.03073	4.6
139.03886	72.4
140.04282	1.4
147.04408	1.1
155.89992	0.6
159.02962	0.6
161.04498	1.2
165.05489	1.4
179.05605	1.0
191.03403	1.0
207.72186	1.3
241.00235	10.2
241.02538	0.9
283.03387	0.6
285.09869	1.5
301.09305	54.8
302.00125	0.6
302.09763	2.3
345.08344	3.4
346.08765	0.7
347.17145	0.7
351.14743	1.2
352.14902	1.3
385.94559	0.6
408.13525	0.8
409.04501	23.1
409.15775	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65213	2.3
59.01241	45.2
65.05246	2.3
71.01237	11.9
72.99174	2.7
73.02807	3.6
75.73838	2.6
85.02813	4.5
89.02303	7.9
91.44676	3.0
93.03278	5.9
94.15755	2.3
96.95863	80.6
99.00762	4.3
101.02308	8.4
107.76752	2.5
109.02811	23.9
112.06205	2.5
113.02309	6.1
113.16412	3.0
123.04390	8.0
125.02278	8.5
126.79922	2.5
135.04343	5.1
137.02356	3.6
137.07182	2.8
147.04387	13.1
149.02380	6.1
149.09473	3.2
150.03101	8.8
151.47270	2.8
153.01857	2.8
161.04448	7.5
163.03903	3.5
165.05446	14.2
167.07047	8.4
179.03355	5.3
179.05565	3.8
181.96484	3.1
191.03416	11.1
209.04561	11.9
241.00223	37.4
259.01309	14.4
266.51474	2.7
305.06659	6.9
305.87604	2.8
349.18765	15.3
373.15012	6.2
386.37842	3.1
391.03421	22.6
399.97324	3.1
409.04327	30.9
409.12744	100.0
409.20917	4.4
410.13046	5.7
413.38098	3.0
430.71844	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	0.9
57.03304	1.7
57.66203	0.5
58.03846	0.5
59.01014	0.5
59.01247	5.4
61.98667	0.9
69.03303	1.8
71.00875	1.1
71.01238	16.4
71.04868	2.0
72.97649	0.9
72.99167	51.6
73.00861	1.1
73.02808	13.7
75.00725	2.3
81.03307	1.7
83.04876	1.5
85.02809	5.2
95.04871	2.2
96.95885	0.7
97.02814	3.5
97.06440	6.2
99.04375	2.3
101.02281	1.3
105.06950	0.8
106.04071	0.8
107.04884	7.1
109.02827	3.7
111.04371	1.2
113.02303	8.7
119.04864	1.4
119.08530	0.8
121.02776	1.1
121.06430	1.4
121.10035	1.2
123.00782	1.5
123.04422	1.1
124.01540	1.0
125.02323	9.4
125.05955	14.1
125.09653	0.9
129.58380	0.6
133.06461	1.7
134.03589	1.9
135.04359	0.9
135.08008	6.0
137.02315	1.5
137.05942	1.0
138.03075	2.4
139.03793	0.8
139.07542	0.7
141.01828	0.7
145.02826	1.7
145.06496	5.7
146.03621	1.1
147.04414	1.1
147.11711	1.2
148.05176	2.8
149.09598	2.9
151.03860	2.2
151.07516	2.6
152.54732	0.8
153.01831	2.3
153.09125	1.6
158.03615	0.8
159.04477	0.9
161.05942	2.0
162.03227	0.7
163.03905	0.9
163.07541	20.3
164.04634	0.8
174.03128	2.6
175.07607	2.0
175.11188	2.3
177.01895	1.0
178.02629	1.3
179.03378	0.9
179.07042	1.5
181.08600	8.2
185.02336	1.2
186.03090	2.1
189.05524	5.4
189.12761	1.3
191.10782	1.9
193.12244	1.1
198.06638	1.0
199.07655	1.2
200.08339	3.8
202.02660	3.8
203.14307	0.8
205.05052	3.2
207.06567	4.4
209.08102	3.5
209.11864	1.4
213.01849	1.6
214.02672	3.2
215.03351	0.9
217.05023	1.7
218.76126	0.9
219.06613	1.2
221.06088	0.8
222.89151	0.7
225.07639	15.5
227.07071	0.9
228.08005	1.0
231.13826	2.8
239.14413	0.8
242.02197	4.6
243.02820	1.4
245.00925	3.0
245.15532	1.4
247.13347	2.2
255.14005	1.9
257.15546	6.1
265.04782	0.7
265.14465	0.9
267.71570	0.8
272.06860	0.9
273.14963	2.1
275.13525	1.2
275.16531	9.4
285.15039	1.4
286.01205	10.3
291.12286	0.7
291.16147	1.2
293.04605	0.7
293.14047	1.2
299.13031	1.0
301.14648	1.5
303.16080	0.9
304.12912	0.9
317.13913	7.7
319.15448	5.4
329.14066	2.2
333.04126	0.8
335.15033	31.8
336.15295	1.5
349.18628	1.1
365.15765	1.1
371.07788	1.4
381.02658	2.0
391.14035	37.9
392.14426	1.6
409.05942	3.9
409.15039	100.0
410.15369	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	409.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65443	1.3
52.76200	1.4
55.01760	1.6
57.03306	4.8
59.01242	29.8
60.21946	1.5
69.03294	3.6
71.01250	10.0
71.04866	3.2
72.99161	35.4
73.02788	5.0
74.70068	1.4
75.00727	5.2
76.11473	1.6
78.15405	1.7
81.03311	9.3
81.30228	1.5
82.95276	2.2
83.01264	1.7
83.04881	14.3
85.02814	5.1
87.00706	2.4
87.04371	2.0
89.02303	3.9
93.03341	4.0
95.04891	5.8
96.02077	2.3
96.95859	8.0
97.02808	7.3
99.04370	14.1
101.02317	5.1
107.04869	4.3
108.02026	5.4
109.02811	10.5
111.04373	14.5
113.02310	38.2
119.04916	1.8
121.02867	3.2
123.00747	3.8
123.04395	7.0
124.01549	2.8
125.02313	28.2
125.05953	4.9
133.06456	2.9
135.04387	3.2
136.05199	3.2
137.02313	4.9
137.05937	3.4
137.09616	10.0
139.03915	18.6
141.01816	17.1
143.03413	4.0
145.06122	2.4
146.03615	2.0
147.04385	5.1
149.02313	2.4
149.09631	2.7
150.03123	2.8
151.03886	5.5
151.07559	13.9
151.11169	4.5
153.01842	1.9
155.03394	10.7
157.02768	1.9
159.04456	2.0
161.02280	2.6
161.04573	1.9
161.06001	5.7
162.06734	2.0
163.03979	3.9
165.09068	2.4
165.12665	2.8
167.10655	15.1
169.04950	4.0
174.03247	2.3
174.06770	2.7
175.03943	2.9
175.07558	2.3
175.11176	5.2
177.05490	7.6
179.03549	2.6
179.07069	26.3
179.10661	9.8
181.08582	2.7
187.03925	2.7
188.04660	3.7
189.05479	2.9
191.10765	5.1
193.05020	2.9
193.12262	12.1
203.14314	3.7
210.33110	2.1
213.05476	1.7
215.14365	3.2
219.13948	3.6
221.11821	3.7
228.17035	2.1
229.01381	2.6
229.12344	2.9
229.15854	3.1
231.13907	12.1
233.15431	5.8
235.13452	2.0
243.13995	3.2
245.15451	8.2
247.13301	10.4
249.14995	8.3
255.13980	2.5
261.15024	4.0
263.12924	13.4
263.16510	4.1
265.05075	2.4
267.06717	5.0
273.14948	17.7
275.12973	12.9
277.14447	4.7
285.07507	2.4
287.12906	5.5
289.14465	8.5
291.12738	2.9
291.15994	43.5
293.04578	2.2
293.13959	60.5
298.08459	6.5
305.13995	6.9
307.15298	2.3
313.10825	21.0
317.13974	19.7
321.03943	3.9
321.13535	3.9
329.13803	2.0
335.15024	100.0
336.15320	5.3
343.11957	3.1
346.09030	2.0
347.14978	4.7
349.18710	5.1
353.16068	58.1
363.14435	2.7
365.02820	3.5
373.13037	37.1
374.13348	2.3
381.15524	28.0
382.16025	2.5
391.14282	4.1
409.01694	14.2
409.15109	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.5
59.01242	2.5
69.01480	0.5
69.03322	1.2
71.01245	1.2
71.04884	2.1
72.97359	0.8
72.99167	71.1
73.00800	1.0
73.02827	0.7
75.00729	7.8
75.01130	0.7
77.03196	0.5
78.24046	0.4
80.43794	0.5
80.74873	0.4
81.03300	1.0
81.48860	0.6
83.04890	2.3
85.02805	0.5
87.00733	0.9
91.05356	0.4
93.03329	1.1
95.04920	0.7
97.02808	2.9
99.04372	2.6
100.70854	0.5
108.74191	0.4
109.02839	1.2
111.04378	2.5
112.01553	0.5
113.02303	6.3
115.03866	0.6
119.04893	4.2
121.02823	0.9
121.10125	3.4
123.04364	1.4
123.90958	0.5
125.02319	16.6
125.09597	1.7
133.06508	0.9
135.04402	0.9
147.04396	0.7
147.08090	0.5
147.11671	4.4
149.05962	0.7
149.09613	7.9
151.03978	0.7
155.03400	1.0
157.06485	2.2
161.05991	0.9
163.11215	1.1
170.07324	0.6
173.06073	0.8
175.06174	0.9
175.07565	6.1
175.11159	5.7
177.05460	0.6
179.07121	0.8
181.12230	1.5
185.13341	1.0
188.08386	0.9
189.12755	2.7
191.07097	2.4
191.10738	3.6
198.06779	1.1
201.05463	1.0
203.14359	2.0
205.12212	1.2
209.11771	2.8
213.12779	1.4
214.06435	0.8
215.14433	1.2
216.07880	1.0
217.12265	0.6
219.06590	4.0
224.82712	0.5
227.14423	2.0
229.15973	1.4
231.13905	6.3
233.15462	1.9
245.15500	2.0
246.12837	0.6
247.13379	6.1
255.13907	4.6
256.61661	1.6
259.13397	0.8
261.15048	0.6
273.14966	5.5
275.13046	1.0
289.14496	3.1
291.16080	1.7
299.13031	1.5
317.13965	23.6
318.14380	1.2
335.15030	100.0
336.15262	4.0
409.15088	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	409.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01439	3.6
59.01242	91.0
61.98678	23.6
67.01746	9.2
67.43546	4.6
69.03326	5.9
71.01238	20.4
72.98780	8.6
72.99164	100.0
73.02811	7.4
75.00751	10.9
78.95788	5.4
79.74860	4.0
80.91537	6.0
81.03330	4.7
85.02811	5.5
85.26040	4.7
89.02283	13.4
93.03329	7.2
96.95878	19.5
99.00753	9.1
101.02325	23.4
107.04901	7.5
108.02034	5.4
109.02814	8.2
113.02345	9.0
119.03358	8.9
121.02837	17.8
125.02296	8.1
131.04832	5.3
135.04372	9.4
137.02332	5.0
137.93387	5.9
139.03860	5.8
143.04857	6.4
147.00732	8.1
147.04384	12.0
149.02325	7.5
149.05940	7.7
150.03157	8.4
151.07573	6.0
159.04399	7.7
161.04507	11.6
163.03912	11.1
165.09059	8.2
173.05978	11.6
174.06708	5.6
179.03549	7.0
179.05533	4.9
179.58377	5.1
185.06012	11.0
186.06798	15.3
187.03911	9.3
190.02681	13.4
191.03468	10.8
191.10646	8.7
199.03966	20.9
202.06299	6.8
203.03450	17.4
211.04027	6.8
212.11871	6.1
213.05540	18.4
214.06334	20.0
215.14420	9.2
217.12260	8.6
223.05980	16.2
227.14397	22.6
230.05835	5.3
231.13907	11.8
240.04297	7.3
241.12561	5.3
243.13875	30.4
245.11638	5.8
245.15440	11.3
258.05261	9.9
259.13535	31.8
263.16510	16.0
269.11801	7.2
271.13379	35.3
287.12927	14.2
289.14423	90.8
297.11417	9.1
303.12228	9.9
313.10822	6.2
315.12366	49.9
317.13708	5.4
331.11896	47.2
335.15118	13.7
347.14984	8.3
349.18793	25.7
359.11353	46.7
363.14529	13.6
377.12497	16.7
391.13693	12.5
409.10767	5.7
409.15256	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	409.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65443	1.3
52.76200	1.4
55.01760	1.6
57.03306	4.8
59.01242	29.8
60.21946	1.5
69.03294	3.6
71.01250	10.0
71.04866	3.2
72.99161	35.4
73.02788	5.0
74.70068	1.4
75.00727	5.2
76.11473	1.6
78.15405	1.7
81.03311	9.3
81.30228	1.5
82.95276	2.2
83.01264	1.7
83.04881	14.3
85.02814	5.1
87.00706	2.4
87.04371	2.0
89.02303	3.9
93.03341	4.0
95.04891	5.8
96.02077	2.3
96.95859	8.0
97.02808	7.3
99.04370	14.1
101.02317	5.1
107.04869	4.3
108.02026	5.4
109.02811	10.5
111.04373	14.5
113.02310	38.2
119.04916	1.8
121.02867	3.2
123.00747	3.8
123.04395	7.0
124.01549	2.8
125.02313	28.2
125.05953	4.9
133.06456	2.9
135.04387	3.2
136.05199	3.2
137.02313	4.9
137.05937	3.4
137.09616	10.0
139.03915	18.6
141.01816	17.1
143.03413	4.0
145.06122	2.4
146.03615	2.0
147.04385	5.1
149.02313	2.4
149.09631	2.7
150.03123	2.8
151.03886	5.5
151.07559	13.9
151.11169	4.5
153.01842	1.9
155.03394	10.7
157.02768	1.9
159.04456	2.0
161.02280	2.6
161.04573	1.9
161.06001	5.7
162.06734	2.0
163.03979	3.9
165.09068	2.4
165.12665	2.8
167.10655	15.1
169.04950	4.0
174.03247	2.3
174.06770	2.7
175.03943	2.9
175.07558	2.3
175.11176	5.2
177.05490	7.6
179.03549	2.6
179.07069	26.3
179.10661	9.8
181.08582	2.7
187.03925	2.7
188.04660	3.7
189.05479	2.9
191.10765	5.1
193.05020	2.9
193.12262	12.1
203.14314	3.7
210.33110	2.1
213.05476	1.7
215.14365	3.2
219.13948	3.6
221.11821	3.7
228.17035	2.1
229.01381	2.6
229.12344	2.9
229.15854	3.1
231.13907	12.1
233.15431	5.8
235.13452	2.0
243.13995	3.2
245.15451	8.2
247.13301	10.4
249.14995	8.3
255.13980	2.5
261.15024	4.0
263.12924	13.4
263.16510	4.1
265.05075	2.4
267.06717	5.0
273.14948	17.7
275.12973	12.9
277.14447	4.7
285.07507	2.4
287.12906	5.5
289.14465	8.5
291.12738	2.9
291.15994	43.5
293.04578	2.2
293.13959	60.5
298.08459	6.5
305.13995	6.9
307.15298	2.3
313.10825	21.0
317.13974	19.7
321.03943	3.9
321.13535	3.9
329.13803	2.0
335.15024	100.0
336.15320	5.3
343.11957	3.1
346.09030	2.0
347.14978	4.7
349.18710	5.1
353.16068	58.1
363.14435	2.7
365.02820	3.5
373.13037	37.1
374.13348	2.3
381.15524	28.0
382.16025	2.5
391.14282	4.1
409.01694	14.2
409.15109	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1657
Annotation	Caloxanthone B
Peak:m/z	Relative Intensity
59.01238	2.3
73.92538	0.5
77.00524	0.9
78.95776	0.8
88.20496	0.5
88.62094	1.0
88.62609	0.5
92.13599	0.5
101.05926	0.7
108.02044	1.0
109.02821	1.3
122.03611	0.6
123.00751	1.7
123.04367	5.7
124.01516	9.9
124.45652	0.6
125.02321	2.4
131.04883	0.7
132.02028	2.6
135.04411	2.1
137.02351	1.4
138.03067	0.7
139.03893	8.5
145.02815	0.9
150.03128	0.6
151.03874	1.8
159.04407	1.8
160.01521	3.6
161.02347	2.5
161.04584	0.7
162.03160	0.7
172.05217	2.7
173.02354	2.1
173.05951	0.7
174.03131	1.2
175.03941	1.0
185.05984	1.2
186.03156	1.0
186.06766	2.2
187.03923	9.9
188.04730	1.0
194.07251	0.7
201.05553	0.9
209.05713	0.6
210.06789	1.2
211.07542	3.3
213.05467	0.9
218.01744	0.6
219.08147	0.7
221.06067	0.6
223.07602	1.1
225.05618	0.7
225.09221	3.7
226.06224	0.9
228.04140	0.9
229.08611	1.2
235.07623	1.8
237.09253	0.9
238.06253	1.5
239.07123	3.1
243.10155	0.9
247.07671	1.6
249.05632	1.1
250.06264	1.1
251.07114	2.3
253.08704	7.3
256.10971	0.8
257.11829	1.2
263.07138	11.2
264.07904	1.2
265.08685	5.0
267.06668	3.5
269.11847	10.3
270.12427	1.3
271.09595	2.8
275.07169	1.0
277.05026	0.7
278.05862	0.8
280.07379	0.8
281.08206	6.3
282.09006	1.0
285.11469	0.7
286.11948	0.7
291.06631	10.7
292.07388	4.8
293.08124	6.4
294.05344	2.6
294.08725	1.2
295.06143	6.4
295.13303	1.0
305.08246	0.9
305.65735	0.6
308.06836	1.7
309.07697	23.5
310.08475	36.3
311.08762	1.3
324.10107	1.6
325.10831	22.2
326.11252	0.8
333.07590	1.4
334.08435	0.8
337.07193	1.8
337.10880	0.7
351.08740	1.6
376.13184	1.1
377.13931	3.5
378.14630	0.8
393.13132	0.7
394.14163	19.3
394.19089	1.1
409.16541	100.0
410.16779	4.5
419.54892	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02238	0.1
52.05577	0.1
58.72682	0.1
59.01235	0.6
63.27757	0.1
65.00175	0.2
73.06401	0.1
77.03821	2.5
78.88692	0.1
78.95734	0.1
79.37769	0.1
80.18903	0.1
89.03823	3.9
91.01787	0.1
93.03320	0.1
95.04883	5.5
104.02516	0.2
105.03320	19.2
105.06040	0.3
106.03645	0.3
111.81933	0.1
117.03328	3.0
119.04897	0.7
121.02832	0.4
123.04393	2.3
132.02037	0.7
132.98358	0.9
133.02826	100.0
133.06770	1.4
134.03275	1.6
135.04391	2.5
149.05942	0.1
151.03908	0.9
152.99518	0.1
173.97690	0.1
176.95094	0.3
177.01845	42.1
177.07817	0.4
178.02179	1.1
179.03394	0.1
179.44841	0.1
204.76724	0.1
261.73337	0.1
305.43140	0.1
350.23615	0.2
353.15363	0.2
409.16626	5.6
410.16931	0.3
411.73486	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	409.166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19045	0.2
57.83152	0.2
59.01258	0.5
65.00198	0.3
73.32719	0.2
75.89291	0.2
77.03822	2.4
78.95747	0.2
89.03827	2.9
93.03327	0.2
95.04882	5.3
103.60879	0.3
105.03323	17.9
113.32922	0.2
117.03316	1.9
119.04849	0.3
121.02875	0.2
123.04403	1.9
132.02046	0.7
132.98888	1.3
133.02829	100.0
133.07375	0.8
134.03535	2.7
135.04410	2.7
139.85103	0.2
151.03879	0.8
176.95757	0.5
177.01848	43.9
178.02232	1.0
179.03410	0.7
409.16586	6.4
410.16928	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.8
57.03312	1.1
58.99990	1.7
59.01242	100.0
59.02343	1.3
60.01571	0.8
70.39353	0.4
71.01240	16.0
72.99172	1.3
73.02807	6.7
75.16392	0.5
80.61878	0.4
83.01234	3.2
83.98466	0.5
85.02795	8.6
87.00742	1.0
89.02301	5.7
95.01267	0.9
96.95856	2.3
99.00748	2.1
101.02301	21.0
108.33286	0.5
113.02296	7.8
113.03009	0.8
119.03383	1.3
125.02327	0.7
137.97052	0.5
143.03418	1.3
147.04407	1.0
152.04681	0.5
159.02965	1.9
161.04454	16.3
161.05804	0.9
167.07066	1.3
170.15663	1.6
179.05547	0.9
187.13307	3.1
243.79413	0.5
245.11864	1.9
256.64227	0.6
265.47504	0.6
277.45407	0.5
349.18680	54.5
350.19150	2.3
409.21231	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98778	0.5
55.96222	0.4
57.03308	0.8
59.00187	1.1
59.01243	100.0
59.02451	2.1
60.01581	0.9
61.98695	1.0
71.01237	21.4
72.99165	3.5
73.02808	6.7
75.00710	0.6
79.95610	0.6
82.29585	0.4
83.01251	3.1
85.02805	10.3
87.00736	1.8
89.02295	16.3
89.02843	0.9
95.01244	1.7
96.95866	20.2
97.02802	0.7
99.00742	2.7
101.02303	21.1
103.03888	0.5
109.02824	1.4
111.00818	0.6
113.02311	12.9
119.03362	6.7
125.02297	1.4
131.03381	1.1
135.04321	0.5
135.08095	0.5
135.73830	0.5
137.02246	0.7
137.79491	0.4
143.03400	2.6
147.04395	7.0
149.02338	1.1
150.03098	0.6
150.96928	0.7
159.02849	2.5
161.04453	21.4
161.05803	1.0
162.04803	0.9
165.05527	0.6
167.03310	0.7
170.15660	1.6
177.01857	0.9
179.05518	5.0
187.13361	2.2
191.03413	3.4
205.03471	0.6
210.99107	3.7
235.02567	0.7
241.00201	8.2
241.93617	0.6
245.11807	4.3
265.09351	0.6
307.10342	0.5
328.40375	0.5
329.08746	0.7
349.18686	73.7
350.19086	5.0
365.05789	0.5
373.15201	0.6
391.03357	3.1
409.04254	6.0
409.12158	4.0
409.20782	1.2
410.04938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41845	0.4
59.01241	2.9
68.34593	0.5
72.99158	0.6
76.22777	0.5
77.56934	0.5
78.93855	0.7
78.95760	59.3
96.96806	5.1
113.86333	0.5
150.97911	1.3
152.99474	100.0
171.00491	2.7
183.01157	0.7
185.00739	0.7
237.74536	0.5
241.21759	0.6
255.23302	2.2
312.27658	0.6
315.98352	0.5
325.18628	3.0
327.18152	3.2
409.23657	14.9
410.24136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2363
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
59.01235	0.8
59.17136	0.4
62.96262	0.3
78.93774	0.9
78.95758	65.5
78.97493	0.9
96.96815	5.1
97.43492	0.3
102.88844	0.4
103.46835	0.3
144.31862	0.3
150.97923	2.1
152.94177	0.8
152.99471	100.0
153.99844	0.7
171.00552	2.2
227.29633	0.3
255.23305	2.4
325.18298	0.6
327.18344	0.5
409.23642	15.2
410.24033	0.9
413.86133	0.4
413.90796	0.4
430.35477	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.5
59.17125	0.4
60.15276	0.1
60.20029	0.2
67.99516	0.1
69.00271	0.1
73.81450	0.1
78.93762	0.8
78.95760	64.2
78.97491	1.0
83.28250	0.1
87.25084	0.2
96.96822	5.5
97.39912	0.1
102.88833	0.2
103.46815	0.2
110.62267	0.2
133.88571	0.2
142.01038	0.2
148.74255	0.1
150.97902	1.9
152.94093	1.0
152.99474	100.0
153.04163	1.1
153.99792	1.1
171.00537	2.6
179.55214	0.2
248.91013	0.2
255.23271	2.6
405.26761	0.2
409.23645	17.1
410.23856	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60414	0.1
58.84094	0.2
59.01237	1.5
61.98666	0.2
66.61113	0.2
67.01740	0.5
69.03316	0.3
71.01234	1.5
71.04883	0.7
73.02797	0.4
78.95779	0.2
81.03309	0.3
83.04875	0.5
85.02805	7.5
87.00734	1.6
88.03898	5.2
93.03320	2.8
95.74480	0.2
96.95858	0.6
99.00732	0.3
99.04362	0.8
106.72775	0.2
109.02817	0.5
111.04379	1.2
112.50700	0.2
112.98674	0.3
113.02319	0.2
113.75420	0.2
123.04422	0.2
124.93333	0.2
127.03890	1.7
128.03355	0.2
129.01721	0.2
137.02344	0.3
140.17741	0.2
142.99730	0.8
146.08124	2.5
155.03372	0.4
167.03427	0.2
171.02863	0.6
173.00832	0.5
173.04472	1.6
183.48993	0.2
190.98045	0.8
191.05537	100.0
192.05867	2.3
218.01797	0.2
218.10297	8.0
219.10713	0.3
236.05598	0.6
252.15939	0.2
367.37143	0.2
393.26016	0.2
410.08319	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	411.036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30553	0.9
59.01228	0.5
67.01730	1.4
69.03320	0.3
71.01250	0.3
72.99164	1.1
73.17198	0.2
74.96277	0.3
79.95610	0.5
81.03311	0.5
83.06535	0.3
84.94968	0.8
93.03303	0.3
96.95871	4.1
97.02810	0.4
106.31582	0.3
108.02031	0.6
109.02825	0.7
113.02317	2.2
116.34888	0.2
122.23811	0.4
125.02331	1.4
127.05402	1.1
135.04439	0.4
143.03352	0.5
143.04871	0.3
143.48189	0.2
145.02808	0.3
147.04391	0.6
148.01469	0.3
149.02292	0.3
149.05949	0.8
151.00462	0.2
152.01080	0.5
155.04929	0.6
156.63286	0.2
157.06456	2.1
163.03925	1.8
167.03476	0.4
169.02917	1.2
169.06625	0.3
171.04422	47.6
172.04741	1.2
173.05980	0.8
175.03934	0.3
179.08594	0.6
184.05351	0.3
187.04034	0.3
193.06499	1.7
195.04471	0.4
195.08037	0.9
197.06047	0.8
199.03847	0.3
201.05510	0.9
202.02666	0.4
204.05774	1.1
204.11566	0.6
205.06526	0.9
206.07263	1.3
207.08087	2.2
207.10074	0.6
208.05180	0.5
209.06087	0.6
210.03239	0.6
211.03925	0.6
215.03452	10.5
215.14377	1.1
221.06020	3.5
222.06784	0.5
223.07610	13.6
224.07899	0.6
231.13788	0.3
232.05219	0.6
233.06032	1.3
233.15497	1.1
234.06744	1.8
235.07629	4.1
236.04810	0.5
237.05531	1.0
242.99741	0.3
243.13992	0.3
249.05553	2.0
250.06462	1.4
251.07118	5.6
251.12744	0.3
259.02420	0.6
259.13474	0.5
261.05545	1.0
261.14883	0.4
262.06354	2.9
265.05069	0.9
266.05505	0.3
267.06610	3.1
277.04962	0.9
277.14362	0.7
278.05600	1.2
279.06638	18.5
280.06888	0.6
295.02826	0.3
295.05951	1.5
305.13977	1.8
306.05200	0.4
323.05618	100.0
324.06009	5.4
349.03391	0.3
367.04578	5.3
368.04889	0.3
372.64896	0.3
411.04062	2.3
411.12900	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	411.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33445	0.4
57.03319	2.3
59.01239	1.7
59.53247	0.4
64.18173	0.5
69.03318	0.7
71.01231	0.8
72.99171	1.4
79.95601	3.2
80.32909	0.5
80.96378	1.6
81.03305	3.1
83.01234	3.2
93.03313	6.6
95.01254	1.3
95.04861	2.9
95.95085	1.1
96.95871	22.8
97.02814	3.0
105.30190	0.5
107.04879	1.0
108.02031	1.5
109.02815	12.9
111.04399	4.9
111.83685	0.5
119.04887	2.0
121.02820	2.1
123.00741	4.7
123.04406	1.6
124.01538	3.5
124.98584	0.9
125.02316	63.9
126.02666	2.0
131.04903	0.8
133.06490	0.6
134.03595	0.6
135.04358	2.3
137.02322	22.5
137.05977	0.5
138.03058	1.7
139.03894	16.3
140.04265	0.6
145.02896	0.6
146.03540	0.6
147.04387	2.1
149.02336	5.1
149.05980	2.1
151.03851	2.7
153.01825	1.5
157.06458	0.7
159.04398	1.9
161.02347	2.6
162.03149	1.0
163.03909	1.4
163.07501	0.8
164.01051	5.5
165.01845	13.6
167.03415	17.6
168.03712	0.7
171.04416	5.3
173.05984	0.8
175.03889	2.6
176.01080	1.5
177.01843	6.0
177.05464	4.3
178.02568	1.5
179.03410	14.0
189.05595	0.6
191.03461	2.6
191.07077	1.7
198.10789	0.6
199.07552	0.6
201.05493	1.2
203.03436	2.8
204.04204	2.2
211.03957	0.5
213.05602	1.1
215.03569	1.4
215.07106	0.9
219.06587	10.7
220.06870	0.7
221.04494	5.9
223.07649	1.5
227.07109	0.6
229.05060	1.3
231.06606	12.6
237.07600	0.7
243.06680	3.6
247.02464	0.6
251.03539	0.6
251.07237	0.8
253.01476	1.6
258.01974	0.9
258.05240	0.6
261.07736	4.0
267.06683	0.6
271.06104	2.3
273.07645	6.3
279.03003	2.0
279.06601	2.4
285.07684	0.7
287.05658	0.7
299.05533	0.9
305.06680	100.0
306.07025	5.7
308.28537	0.5
313.07187	0.6
317.06653	8.5
318.07129	0.5
323.05579	11.4
324.05991	0.7
367.04895	0.7
407.58978	0.7
411.03937	17.3
411.10876	5.4
411.15503	0.6
412.04260	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1272
Annotation	t(6)a
Peak:m/z	Relative Intensity
52.59216	0.4
58.31762	0.4
59.01246	0.6
61.98684	1.1
67.51740	0.4
70.86494	0.5
71.99122	0.6
72.00761	24.3
74.02325	18.5
86.91578	0.5
88.98644	0.6
95.90359	0.6
96.95847	0.8
100.00259	62.6
100.03316	0.6
100.03889	4.2
103.60464	0.5
105.01800	0.8
118.01496	1.2
118.04962	100.0
119.05303	1.7
128.03391	0.5
134.04594	2.1
144.02905	45.6
145.03209	0.9
158.74232	0.5
160.02547	4.5
163.11200	0.6
165.12766	0.8
187.06357	0.9
193.12294	0.8
220.10950	0.6
262.14465	4.4
278.16580	0.5
283.74799	0.5
305.06238	0.6
324.14383	0.9
411.12872	1.0
412.12570	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64087	1.0
50.74961	0.6
51.44978	0.6
55.01744	1.4
55.36941	0.6
57.03312	3.9
59.01237	4.0
69.03309	15.4
70.77776	0.7
71.01231	2.7
71.97593	0.6
72.99165	31.2
73.02800	5.3
75.00729	1.6
81.03294	1.5
83.04900	1.1
85.02798	7.8
87.00737	1.6
87.04366	1.2
93.03296	1.0
97.02812	22.1
98.02346	1.5
99.04372	2.3
99.08000	1.1
99.77032	0.7
100.98654	1.1
101.02283	0.8
107.04911	1.0
108.02001	1.0
109.02850	1.3
113.02304	83.6
113.05645	1.2
114.02649	1.7
115.07518	0.8
122.03641	0.9
125.02312	100.0
125.06027	1.3
126.02645	2.4
127.03929	0.8
134.03610	1.4
135.04407	1.3
137.02280	1.3
137.05975	1.2
139.67149	0.8
141.01816	7.1
143.03386	3.3
145.02824	0.9
147.04346	0.9
149.05951	1.3
149.09637	3.4
151.11241	0.9
152.03470	0.9
156.05708	1.2
157.06386	0.9
161.04543	0.8
163.03920	1.5
163.11221	1.5
165.09091	0.9
167.10670	1.1
173.04451	0.9
173.05957	1.4
174.06786	1.4
175.03860	0.9
175.11263	0.8
177.09126	8.6
179.10699	3.5
184.05215	1.5
187.03958	1.5
188.04745	2.2
190.02632	1.2
191.03423	1.6
191.10681	5.5
193.08643	1.0
193.12305	2.4
195.10242	3.9
196.02399	2.4
197.02739	0.9
201.05507	1.4
202.06339	1.9
203.10641	1.4
205.12357	1.5
207.10217	2.1
209.04549	1.2
211.92958	0.8
213.12785	2.1
215.14404	2.4
219.10294	0.9
219.13963	1.5
220.03819	1.0
228.04340	0.8
230.09470	3.2
231.13892	6.3
233.15453	1.4
235.13409	1.4
237.11359	1.8
241.12369	4.2
246.05440	0.9
247.09747	3.1
247.13330	1.5
248.10577	2.8
249.15047	1.0
257.11893	1.4
259.13406	13.8
260.13852	1.2
275.12982	1.7
277.14496	7.8
278.14960	0.9
279.12494	1.0
281.14014	1.4
285.11380	1.3
291.12390	1.8
292.09665	0.9
303.12329	6.2
311.64484	0.8
321.13443	8.9
339.14487	1.4
365.12424	10.5
366.12955	1.2
383.13510	50.6
384.13577	3.9
393.22742	4.3
411.12939	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1299
Annotation	Paashaanolactone
Peak:m/z	Relative Intensity
53.02096	0.6
55.01741	0.5
57.03315	1.1
58.00457	0.9
58.68953	0.4
59.01230	1.8
63.56329	0.5
64.47316	0.4
69.03303	1.0
71.01235	1.0
71.04877	7.6
72.99164	14.3
73.02805	2.8
75.00727	1.6
80.02523	0.8
81.03320	1.3
83.04856	1.2
85.02814	1.4
87.00738	0.5
93.03291	0.6
95.01299	0.7
95.04853	0.8
96.95854	2.3
97.02809	2.0
97.06443	1.2
99.04382	1.6
99.08012	5.1
100.08296	0.4
101.02305	0.6
102.32375	0.5
106.04100	0.7
107.01163	0.5
107.04891	1.4
108.02044	0.6
109.02838	2.6
109.06467	0.8
111.04373	1.1
111.07993	0.5
111.33040	0.6
111.37802	0.5
113.02306	7.6
113.09611	0.5
119.04085	1.1
119.04893	15.1
121.02837	0.6
121.06454	1.2
121.10098	3.0
124.81538	0.4
125.02314	3.3
127.07547	2.5
129.09088	28.5
130.09363	0.5
135.04382	1.6
137.05966	5.1
137.09589	2.1
139.11229	0.6
147.04414	1.4
147.11731	0.6
149.02338	0.5
149.05951	1.1
149.09618	2.2
151.03914	0.7
151.11162	2.6
153.01842	0.8
158.07271	0.5
161.06032	0.6
163.03926	2.2
163.11256	0.8
165.05481	3.3
165.12770	1.3
167.03368	0.5
167.10689	1.6
169.04996	0.7
171.04456	0.8
174.06693	0.7
175.03929	1.4
175.11189	0.6
176.08363	1.2
177.05498	0.6
177.12688	0.7
178.99770	2.1
179.03400	0.7
179.10770	0.6
181.04965	4.3
185.13333	0.9
186.06842	0.6
187.03818	0.8
187.14938	0.8
191.03474	0.6
193.12242	0.9
202.06142	0.5
203.03471	0.6
203.10707	1.2
203.14412	1.4
205.15956	3.0
209.04463	5.6
211.05917	0.8
215.14426	2.7
219.13930	1.6
221.15443	1.9
223.17125	0.6
231.13890	2.4
233.15334	2.4
243.13928	1.5
247.13431	1.1
249.11336	0.6
249.14952	1.4
259.02539	0.8
259.13443	1.9
261.14890	1.1
263.12863	0.6
265.14456	8.1
276.48325	0.5
277.14566	2.4
287.12921	2.0
293.13974	5.3
295.15503	1.1
305.13983	1.7
311.15045	1.2
321.13425	3.0
323.05573	1.7
323.15109	1.4
336.03735	0.5
339.14539	7.6
341.43018	0.5
349.13040	1.4
367.04700	0.7
367.13962	8.6
393.11752	1.1
411.13007	100.0
412.13361	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	411.13
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39245	0.2
56.38091	0.2
59.01246	1.2
68.99676	0.2
69.03319	1.2
71.01237	0.9
71.24186	0.2
72.97355	1.1
72.99166	100.0
73.00800	1.6
73.99505	0.4
79.32941	0.2
83.04864	0.2
84.67503	0.2
87.00730	0.3
89.90192	0.2
96.95872	2.3
99.08016	0.9
102.17783	0.2
107.04887	0.3
108.02025	0.6
109.02822	0.3
109.06429	1.0
119.04877	0.4
121.06487	0.6
123.04397	1.2
125.05941	0.6
127.07495	1.0
129.09087	4.8
135.04364	0.9
135.08015	0.3
136.01538	0.3
136.05200	0.2
137.05980	1.9
137.09653	0.2
139.07529	1.9
141.09096	0.3
145.02853	0.3
146.07294	0.6
147.04384	0.5
149.05981	5.9
149.09599	0.2
151.03871	0.2
151.07529	1.1
151.11275	0.2
153.05406	0.3
153.09108	0.9
158.07338	0.5
159.04419	0.9
163.03917	0.8
163.07608	0.4
163.11269	0.2
164.08340	0.2
165.05470	4.9
166.06226	0.6
167.07040	2.5
167.10809	0.2
171.04448	0.2
174.06755	1.8
175.03883	0.9
175.07588	0.6
175.13466	0.2
175.14830	1.1
176.08327	0.3
177.09190	0.3
178.06287	0.4
179.07018	0.3
181.08641	0.7
189.05530	0.6
189.09122	0.2
189.12698	0.4
189.16475	0.3
190.06287	4.7
190.09885	0.3
191.06943	0.3
191.10730	0.2
191.14362	0.3
192.07863	0.4
193.04906	0.5
193.15894	0.8
199.14757	0.3
202.06380	0.2
203.07115	0.3
203.14366	2.2
204.07802	1.3
205.12299	0.9
205.15962	0.9
207.13866	1.2
208.07408	0.4
214.09935	0.2
215.14238	0.3
217.15927	1.1
219.13800	0.8
220.10991	0.6
221.15437	2.4
229.12328	0.8
231.13872	3.9
232.11037	1.1
233.11845	2.0
233.15431	2.9
234.16028	0.3
234.59956	0.2
235.13358	1.4
236.06844	1.6
243.13875	0.3
247.13383	50.9
248.06917	0.2
248.13742	2.0
249.14990	2.1
251.16652	0.3
259.13345	0.5
261.14954	5.0
261.17661	0.4
264.10001	0.2
265.14481	1.6
275.12900	0.4
277.14456	1.9
279.15903	2.1
279.18219	0.2
293.13965	8.5
295.15479	4.5
296.15823	0.4
305.13831	0.5
323.15094	0.6
350.19797	0.4
367.04666	0.3
367.13995	2.4
368.14441	0.3
411.13098	20.1
412.13504	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	0.6
58.00452	1.3
59.01239	1.7
61.98668	1.3
62.45589	0.7
62.68909	0.6
69.03317	1.6
71.01229	1.9
71.04880	7.0
72.99162	2.6
73.02809	6.7
79.85879	0.5
81.03297	1.1
83.04888	1.5
85.02825	1.3
93.03302	1.9
93.06939	0.9
95.04858	1.0
96.95870	6.1
97.02803	2.3
97.06457	0.8
98.95466	5.2
98.96082	0.9
99.00703	1.2
99.04386	1.7
99.08010	4.9
106.04070	0.7
107.04900	1.7
108.02042	0.9
109.02796	2.2
111.00733	1.5
111.04366	1.4
113.02303	5.3
117.06968	0.8
119.04086	1.1
119.04892	18.7
121.02812	1.4
121.06463	1.7
121.10065	2.9
123.00747	1.2
123.04393	3.8
125.02310	8.4
127.07500	1.5
129.09079	22.3
135.04362	2.4
137.02339	1.4
137.05969	10.4
137.09598	1.1
138.28543	0.7
139.03888	1.1
139.07481	0.9
141.01826	1.4
146.03615	0.7
147.04425	1.1
149.05928	1.4
149.09602	2.1
151.11143	3.0
157.06448	0.8
158.07271	0.8
161.05937	1.4
163.03911	5.1
165.05482	8.5
165.12733	1.1
167.03424	1.5
169.01256	1.1
169.04959	3.4
173.04469	1.8
176.06102	0.7
176.08363	2.3
181.04996	8.6
184.05217	2.1
189.12741	1.0
193.12122	0.9
195.06567	2.2
197.13319	0.9
202.06284	1.3
203.10628	1.6
203.14471	1.2
204.99858	1.7
205.15884	4.2
208.72690	0.7
209.04501	3.0
215.14378	5.6
221.11932	1.1
223.17023	0.9
231.13837	3.3
233.11786	1.8
233.15398	3.6
237.07715	1.2
241.00224	1.6
242.99992	2.2
243.13786	1.7
249.14906	1.1
259.13385	4.1
261.14978	0.9
277.14487	3.7
293.13901	2.7
305.06543	0.8
305.13818	1.1
306.07013	1.1
311.15048	5.5
339.14432	3.1
339.91519	0.7
367.13907	3.2
411.05136	7.1
411.12958	100.0
412.13477	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	411.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51851	2.6
53.69920	2.6
57.03307	12.6
59.01235	10.6
60.75507	3.0
65.25735	2.8
67.22993	2.8
69.03305	12.2
69.08159	2.7
71.01247	4.6
72.99170	54.5
72.99549	7.0
73.02808	43.7
75.00727	5.6
80.96375	6.6
84.94975	5.3
85.02795	24.3
87.00743	15.6
87.04357	24.4
90.62485	3.1
91.73482	4.4
93.03314	5.5
96.95879	21.0
97.02814	24.8
99.04367	17.8
99.08035	4.3
101.02301	8.6
106.04110	10.7
108.02059	5.3
109.02814	12.0
113.02305	100.0
115.03897	6.0
121.02822	15.9
121.10153	4.2
124.01485	3.6
125.02318	42.2
127.03938	3.5
133.06427	3.9
134.03600	28.3
135.04414	6.0
136.01602	7.9
137.02306	7.0
137.05954	4.0
137.09573	3.8
138.03154	4.7
139.03873	6.5
140.04672	5.5
141.01833	12.8
141.09114	5.2
143.03391	89.2
145.02814	5.1
147.04430	7.6
147.08046	5.6
149.06010	12.1
149.09564	11.8
151.11177	5.7
153.01784	5.3
156.05670	4.3
159.04411	5.3
161.02231	3.8
161.05952	5.8
162.03195	4.1
163.03902	26.8
163.11116	18.3
165.05484	4.2
167.03395	4.2
167.10637	8.3
173.06015	6.1
174.03186	3.4
174.06781	9.8
175.11197	8.2
177.05441	10.4
177.09137	36.3
179.03407	8.1
179.10709	14.9
179.49162	3.3
185.13286	5.0
187.03931	8.0
189.01891	5.2
189.09134	3.3
189.12724	5.2
190.02693	8.1
191.03432	13.0
191.10715	68.3
191.14432	3.5
193.05028	4.9
193.08597	5.7
195.10236	7.6
201.05479	5.4
202.06316	12.6
203.03459	4.1
203.10686	7.8
209.11778	9.8
213.12772	14.9
215.14381	6.6
217.12305	10.4
219.10225	10.5
219.13911	5.5
225.11215	4.8
229.12321	4.9
231.13857	36.6
233.15291	5.3
235.13396	9.3
241.12326	17.6
247.09593	18.8
247.13460	12.8
248.10651	8.7
249.11414	4.0
249.14966	11.5
259.13400	55.4
275.12936	12.8
277.14484	23.4
279.12393	11.3
281.14056	5.1
293.13992	17.3
303.12286	16.8
309.13528	5.2
321.13480	87.2
322.13873	5.9
331.08362	5.5
337.13034	13.4
339.14490	4.9
359.43515	4.0
365.12320	22.7
367.13916	5.4
383.13531	81.8
384.13632	5.1
411.04056	6.9
411.12894	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.5
60.03093	0.2
67.01782	0.2
72.97366	1.1
72.99167	100.0
73.00786	1.6
73.02398	0.4
73.02805	6.3
73.99524	0.7
81.03358	0.3
83.04872	0.4
84.94971	0.5
85.02806	0.3
90.58720	0.3
95.04887	2.0
97.06450	1.8
99.04377	0.4
101.02295	0.3
107.04853	0.2
108.02048	0.4
109.02853	0.2
111.04402	0.3
112.05169	0.2
113.02310	0.4
121.02814	0.3
121.44155	0.2
122.03632	0.4
123.04391	3.2
125.02312	1.9
132.05707	0.3
134.03624	0.3
135.08075	0.2
137.56686	0.2
138.03146	0.3
139.03915	2.2
145.06464	0.3
147.04373	0.2
147.08095	0.7
153.12729	0.3
163.07559	0.7
165.12778	0.8
173.05977	0.4
177.12709	0.3
189.05638	0.3
191.10692	0.3
191.14287	1.3
193.12335	0.5
195.10304	0.2
198.06792	0.3
199.07538	0.3
200.08391	0.5
203.14398	0.3
213.16478	0.7
219.13850	2.6
229.16008	0.7
231.13992	0.5
231.17517	7.6
232.17944	0.3
235.13344	1.5
237.14905	0.6
247.17084	0.7
249.18658	0.4
255.13889	0.3
257.15466	5.3
258.15759	0.2
263.12930	3.4
273.15079	0.3
275.16559	5.8
281.13922	0.7
290.76001	0.3
291.16174	0.3
293.17609	17.6
293.30453	0.3
294.17987	0.7
301.14493	0.5
319.15518	6.8
337.16592	17.8
338.16992	0.8
373.12872	0.4
411.16653	9.7
412.16904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21191	0.1
59.01246	0.2
60.67004	0.1
71.01243	0.3
72.99165	100.0
73.00845	1.6
73.99512	0.6
81.03307	0.2
83.04877	0.9
86.11446	0.1
86.49622	0.1
93.03312	0.2
96.95843	0.8
97.02798	0.2
99.04375	0.2
107.04882	0.2
108.02060	0.3
109.02824	0.3
111.04379	6.2
113.02293	0.4
119.04872	0.6
120.05701	0.2
121.02821	0.1
121.06429	0.2
123.04379	1.3
125.02320	1.4
133.06412	0.2
134.03629	0.2
135.04358	0.6
135.08032	1.6
143.42339	0.1
145.06462	0.5
147.08087	0.1
148.05196	0.2
150.03119	0.3
151.03886	0.3
159.04367	0.1
161.05980	0.4
162.06700	0.3
163.07533	3.2
167.10698	0.2
177.05505	0.3
179.07033	0.2
189.05510	0.5
193.12271	0.2
195.10190	0.5
203.14345	0.3
204.04169	0.1
205.05032	0.3
206.05905	0.2
207.06578	7.2
207.10147	2.4
207.14389	0.2
208.06961	0.2
213.16338	0.2
218.09389	0.3
229.15909	0.2
231.13832	0.5
247.13435	0.1
247.17029	0.6
257.15421	0.8
259.02527	0.2
273.15009	1.0
275.12906	1.3
275.16550	2.3
281.06744	0.2
299.07803	0.2
301.14365	0.9
317.14017	0.2
319.15515	31.1
320.15854	1.8
337.16571	1.5
338.16699	0.2
339.18259	0.3
393.15720	0.1
411.03943	0.5
411.16647	12.2
412.17029	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24118	0.6
59.01241	1.0
72.97395	0.9
72.99167	67.4
73.00717	1.1
73.02804	8.1
73.06714	0.5
75.00749	3.6
95.04881	2.5
97.02831	0.7
97.06441	2.4
99.04357	1.9
104.03894	0.6
108.02065	1.1
113.02283	2.2
114.51844	0.6
123.04408	5.7
125.01443	1.1
125.02316	11.1
131.74945	0.7
134.39467	0.6
135.04408	0.8
135.08072	1.1
139.03905	5.5
144.85109	0.7
147.07988	1.2
151.11148	1.1
153.12761	1.4
163.07513	2.0
165.12758	3.5
175.11218	0.8
177.12794	3.2
179.14345	1.1
181.12257	1.3
183.13728	0.8
189.05528	1.0
191.14330	2.6
193.12280	3.3
193.15871	0.9
200.08496	1.0
205.15875	0.8
207.17584	0.7
213.16403	1.6
215.14532	0.8
217.15979	3.6
219.13884	3.1
229.15974	2.1
231.17519	16.0
232.17863	1.2
233.15436	3.0
234.16147	1.0
235.13362	1.9
235.17029	3.6
245.15373	0.9
247.17081	3.3
249.18597	1.0
255.27675	1.8
257.15460	13.2
257.18021	1.2
263.12936	4.3
263.16687	1.0
265.18192	0.6
273.15048	1.2
275.16544	22.1
276.16959	0.7
281.13876	1.2
291.16071	0.8
293.14313	1.3
293.17621	25.7
294.17960	1.1
301.14532	1.3
309.16928	0.7
319.15512	23.6
320.15994	1.7
335.14978	0.8
337.16592	100.0
338.17050	4.9
411.16641	16.6
412.16782	1.0
420.78241	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53596	0.1
55.01744	0.2
57.03315	0.5
59.01248	2.5
60.86008	0.2
62.30296	0.2
69.03316	0.3
71.01240	0.6
71.04877	0.6
72.97410	0.8
72.99165	52.4
73.00703	0.8
73.02805	1.6
73.66189	0.2
73.99500	0.2
75.00734	2.0
80.55494	0.2
81.03307	0.9
81.99271	0.3
83.04892	0.3
85.02811	0.6
87.00746	1.1
91.72699	0.3
93.03329	0.3
95.04881	0.3
97.02805	0.7
99.04377	0.7
107.04887	0.8
109.02824	0.7
110.03568	0.2
111.04415	0.2
113.02301	2.0
118.84598	0.2
119.33942	0.2
121.06450	0.3
122.03640	0.3
123.04392	0.5
125.02314	24.7
126.02666	0.4
127.03911	0.4
133.06459	0.3
134.03641	0.3
135.04410	0.2
135.08064	0.4
139.11172	0.2
145.06491	0.3
147.08099	0.3
148.05212	0.4
149.09569	0.2
151.11166	1.7
153.12735	1.5
155.14302	0.2
161.06004	0.2
162.06743	0.2
163.07538	1.2
165.12750	3.8
167.10681	0.2
171.08040	0.2
173.06091	0.3
175.07607	0.3
175.11186	0.6
177.12750	2.5
178.02594	0.2
179.10777	0.3
179.14311	0.7
181.12282	0.9
183.13834	1.7
189.05472	0.7
189.12839	0.2
191.07092	0.3
191.10777	0.5
191.14308	1.6
193.12268	6.3
194.12753	0.3
199.07533	0.4
200.08374	0.7
201.12778	0.4
203.14378	0.2
204.11522	0.3
205.12296	0.2
205.15901	0.5
207.13855	0.4
207.17509	0.3
209.11864	0.4
211.13293	1.0
213.16507	0.5
215.14395	0.3
217.12474	0.2
217.15894	1.9
219.13832	2.0
219.17461	0.4
229.15927	1.5
231.14029	0.3
231.17528	2.1
233.15486	1.8
235.13329	0.4
235.17029	2.1
237.15002	0.3
239.14381	0.2
245.15437	0.9
247.17041	1.9
248.17668	0.2
249.14978	0.8
249.18561	0.5
255.27713	0.3
257.15469	5.7
263.16464	0.5
265.18118	0.6
272.74033	0.2
273.14984	0.7
275.16550	8.9
276.16937	0.5
277.14523	0.7
279.16132	0.2
289.14371	0.3
291.16037	2.2
293.17609	1.6
301.14487	0.8
319.15512	32.4
320.15958	1.7
337.16589	100.0
338.12897	0.2
338.16940	5.5
411.16605	13.1
412.17078	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
72.97636	1.4
72.99164	100.0
73.00932	1.4
73.99503	0.7
79.66140	0.1
81.03312	0.5
83.04881	0.6
91.72691	0.3
91.73270	0.4
99.04353	0.6
106.76099	0.2
107.04884	0.2
109.02824	0.1
111.04381	3.5
113.02309	1.6
113.32147	0.1
118.54182	0.2
119.04914	0.4
120.05679	0.2
121.02818	0.2
121.06478	0.3
123.04375	0.6
125.02311	1.9
133.06453	0.3
135.04414	0.2
135.08044	0.8
136.05188	0.4
139.35301	0.2
145.06479	0.3
145.26407	0.1
147.04445	0.2
148.05136	0.2
150.03076	0.4
161.05977	0.4
162.06731	0.3
163.07547	1.4
165.09105	0.2
167.10574	0.2
175.07568	0.2
179.07111	0.2
187.96187	0.2
189.05525	0.2
193.12294	0.3
203.10683	0.4
207.04488	0.2
207.06552	4.3
207.10147	1.6
208.06879	0.3
218.09482	1.1
219.06389	0.3
219.13834	0.2
225.07594	1.0
231.13896	0.3
247.13370	0.2
257.15427	0.5
261.14719	0.2
262.08499	0.2
273.14966	0.3
275.12918	1.3
275.16516	0.7
284.03482	0.2
299.07861	0.2
301.14481	0.4
319.15509	20.6
320.15845	1.7
337.16602	8.1
337.20718	0.3
338.16742	0.4
339.18256	0.3
411.16632	12.4
412.16956	1.1
434.67374	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	411.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.3
56.38623	0.5
56.95551	0.6
57.03309	1.7
57.76170	0.6
59.01242	2.7
60.38846	0.5
67.94893	0.6
69.03310	1.0
71.01249	1.3
71.04903	2.0
72.97521	0.6
72.99161	11.1
73.02814	2.8
85.02812	2.1
85.53851	0.7
87.00717	0.7
93.03326	0.9
95.04897	2.5
96.95879	1.8
105.07028	0.9
106.17754	0.7
109.02865	0.8
111.04434	1.1
113.02302	7.3
119.04916	0.9
121.02859	1.9
121.06465	1.0
121.10110	1.5
122.03598	0.7
123.04501	0.8
123.08051	3.0
124.01508	1.6
125.02316	4.8
131.04903	1.7
133.06494	2.2
135.04404	1.2
138.02989	0.7
141.01822	1.9
142.89714	0.7
147.04468	0.9
149.02316	1.8
149.05988	5.2
149.09624	1.0
151.07587	0.9
159.04399	6.0
165.05492	1.1
165.12791	3.8
175.03941	1.2
177.05525	2.9
177.12743	5.4
179.07205	0.8
179.10684	1.4
179.14346	6.3
185.02464	0.9
188.08426	1.1
189.12805	2.0
191.07039	0.8
191.14258	0.7
193.04984	2.5
193.08635	1.2
193.12297	2.3
195.06650	0.9
203.03494	4.5
205.12401	1.2
207.13899	2.0
207.17482	4.4
213.05402	1.1
214.06300	1.3
215.10710	0.8
215.14452	1.9
216.11520	6.1
217.12395	1.1
217.15884	4.5
227.14381	2.9
233.11826	6.2
233.15465	3.0
235.16978	9.8
245.15453	15.4
246.15804	0.9
247.13161	1.0
249.14998	1.0
260.10580	8.6
261.14932	2.0
263.16632	2.4
266.63708	0.8
269.40289	0.8
271.13385	6.2
277.14465	2.7
279.16016	5.8
281.81219	0.9
289.14502	6.3
305.13965	2.7
307.15500	11.3
319.15625	0.8
323.15042	1.4
329.06729	1.0
329.23352	1.2
333.13431	17.7
337.16635	1.4
351.14505	100.0
352.14813	5.8
411.15500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	0.5
55.01755	0.7
57.03303	2.3
59.01217	1.9
63.67863	0.5
66.45776	0.6
67.56558	0.7
69.03316	1.7
71.01211	1.4
71.04880	3.0
72.99164	13.8
73.02814	3.2
80.83100	0.7
81.03299	0.8
83.04872	1.0
85.02794	2.1
91.72758	1.1
93.03309	1.0
95.01192	0.8
95.04879	2.1
96.95865	2.1
97.02784	0.9
99.04367	0.7
101.02267	0.7
103.69847	0.6
105.06974	0.7
111.04390	0.8
113.02310	7.5
119.04844	1.1
121.02839	2.0
121.06461	1.2
121.10103	1.3
122.03613	0.7
123.04356	1.0
123.08019	2.4
124.01537	1.5
125.02311	5.7
130.04065	0.7
131.04880	1.5
133.06447	1.9
135.04379	1.5
139.03862	0.9
141.01813	2.3
147.04402	0.8
149.02335	1.6
149.05974	5.1
149.09616	1.1
151.11215	1.5
158.03603	1.0
159.04405	9.0
159.08038	0.9
161.13324	1.0
165.05458	0.7
165.12679	3.5
167.07095	0.8
175.03928	1.0
175.07532	0.7
177.01851	0.7
177.05484	4.4
177.12753	6.9
179.07045	1.4
179.10733	1.9
179.14336	5.9
185.02390	0.9
187.07579	1.1
187.11153	1.0
188.08389	1.6
189.12730	1.8
191.10637	1.0
191.14412	0.8
193.04979	2.7
193.08636	1.3
193.12204	1.8
195.06589	1.3
201.11314	0.6
203.03418	4.1
204.11417	0.7
205.08408	0.9
205.12283	2.5
205.15926	0.8
207.13918	1.6
207.17505	5.1
211.06088	1.8
213.05569	1.3
214.06310	2.8
215.14299	1.4
216.11488	8.2
217.15897	5.5
227.14310	3.4
233.11781	7.3
233.15372	4.8
235.17000	9.6
243.14024	0.7
245.11726	1.0
245.12560	0.8
245.15421	14.8
245.17743	1.1
246.15608	0.8
249.14981	1.8
260.10538	9.0
261.11047	0.8
261.14911	1.5
263.16507	2.9
271.13486	7.3
277.11658	0.9
277.14438	3.8
279.16034	6.6
289.14398	4.6
304.68277	0.7
305.14011	4.6
307.15521	11.7
323.14966	1.7
329.06647	0.7
333.13431	18.1
337.16586	1.8
349.14676	1.5
351.14502	100.0
352.14893	6.8
411.11188	1.7
411.20380	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02276	0.2
59.01237	0.6
61.98689	0.2
66.18975	0.2
77.03815	1.8
79.54073	0.2
89.03822	1.4
90.17752	0.2
95.04884	5.5
98.80569	0.2
103.60812	0.5
105.03320	18.6
105.86818	0.3
106.53265	0.3
121.02749	0.3
123.04394	2.3
132.02055	0.9
132.98357	0.8
133.02827	100.0
133.06779	1.3
134.03540	3.7
135.04427	1.3
149.09703	0.3
151.03850	1.0
174.03223	0.2
177.01845	45.3
178.02321	1.3
193.04956	0.5
274.70035	0.3
353.17856	0.4
411.18143	6.8
412.18207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	9.3
60.46738	0.6
60.79932	0.7
61.98693	0.7
62.22916	0.7
69.03333	0.7
71.01263	3.5
72.99179	0.8
73.02822	2.0
74.63011	0.7
78.95760	20.2
78.96191	1.1
80.96165	4.0
81.03331	0.9
82.46619	0.7
83.01247	1.2
84.07767	0.8
85.02785	3.8
89.02307	1.9
96.96838	1.9
101.02303	8.0
113.02299	1.2
117.88599	0.9
131.03413	3.4
143.03407	1.2
152.99467	24.0
153.99841	7.3
154.99915	10.5
155.01097	1.0
155.05424	1.0
160.84091	8.1
161.04451	18.3
161.84239	0.9
162.83806	19.0
171.00610	1.4
182.59090	1.0
205.19576	1.0
220.21536	0.8
249.18590	100.0
249.29692	1.1
250.18983	5.3
378.28625	0.9
390.94882	0.9
410.24353	1.1
411.03262	4.0
411.16803	1.9
411.24170	5.2
412.02359	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27112	0.5
59.01249	3.3
61.98691	0.6
62.83715	0.6
67.92886	0.5
73.02798	0.8
76.10262	0.5
89.02299	1.0
91.73347	1.2
93.24579	0.6
104.62687	0.6
112.98670	0.6
113.09682	0.6
117.01779	0.7
135.02867	1.2
138.97037	0.6
144.86377	0.7
145.69824	0.6
155.40512	0.7
171.10133	0.8
179.14287	0.8
195.13828	7.8
196.14540	0.6
223.13361	6.5
249.18636	0.8
256.13162	2.6
275.20123	5.9
285.16232	0.6
293.21234	100.0
293.82977	0.7
294.21552	6.1
323.25708	1.2
351.10248	0.7
353.18030	0.7
411.23889	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	411.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94109	0.3
59.01242	11.9
65.03812	0.9
69.03328	0.5
71.04861	0.8
76.58231	0.4
78.95768	1.0
80.38713	0.4
92.02530	1.2
93.03318	2.5
106.04086	4.1
107.04890	22.8
108.02023	1.0
109.02759	0.4
119.04906	7.9
120.05704	1.0
121.02833	9.1
137.02309	0.7
175.11226	4.7
175.55736	0.5
187.11208	1.7
201.12837	1.2
229.15952	0.6
297.22241	19.5
309.22339	4.3
349.25323	6.3
367.26523	1.8
411.25446	100.0
412.25693	4.5
425.57150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2544
Annotation	Robustol
Peak:m/z	Relative Intensity
52.94109	0.3
59.01242	11.9
65.03812	0.9
69.03328	0.5
71.04861	0.8
76.58231	0.4
78.95768	1.0
80.38713	0.4
92.02530	1.2
93.03318	2.5
106.04086	4.1
107.04890	22.8
108.02023	1.0
109.02759	0.4
119.04906	7.9
120.05704	1.0
121.02833	9.1
137.02309	0.7
175.11226	4.7
175.55736	0.5
187.11208	1.7
201.12837	1.2
229.15952	0.6
297.22241	19.5
309.22339	4.3
349.25323	6.3
367.26523	1.8
411.25446	100.0
412.25693	4.5
425.57150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2542
Annotation	Robustol
Peak:m/z	Relative Intensity
50.02469	0.4
50.89819	0.3
59.01245	3.1
59.86807	0.4
62.21746	0.4
70.58382	0.4
79.72756	0.4
83.28929	0.4
92.02529	0.6
93.03320	1.9
93.14320	0.4
94.48092	0.4
106.04089	3.5
107.04893	14.2
109.02867	0.6
118.39317	0.4
119.04898	5.0
121.02818	9.4
121.10119	2.4
131.04912	10.7
131.22304	0.4
131.84564	0.4
135.11661	0.9
137.02325	0.9
147.08041	1.3
163.07520	0.5
171.07880	0.6
175.07582	3.2
175.11198	4.1
187.11276	1.2
191.10841	0.5
191.17914	0.9
201.12737	2.2
213.12793	0.7
229.15968	1.6
239.14407	0.6
245.15454	1.9
257.15506	1.5
279.23276	0.5
313.71616	0.4
349.25385	9.6
350.25729	0.6
367.26291	1.1
411.25455	100.0
412.25745	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	411.2543
Annotation	Robustol
Peak:m/z	Relative Intensity
53.73170	0.2
54.75340	0.3
55.88555	0.3
57.03303	0.9
57.48952	0.3
59.01231	1.2
65.03827	2.3
68.37756	0.3
79.01757	0.3
79.05377	1.0
81.03302	0.7
83.04863	0.7
85.99490	0.3
91.72747	0.4
93.03313	5.0
95.04878	0.6
97.08557	0.3
99.74929	0.3
106.04115	0.7
107.04887	39.6
107.07564	0.6
108.02012	0.9
108.05205	0.5
108.79156	0.3
109.02811	1.1
111.04355	0.6
119.04894	5.4
121.02824	5.8
121.10073	1.0
127.17670	0.3
143.04898	0.5
147.08026	0.9
159.08040	0.9
161.04880	0.4
161.06004	3.8
175.11185	1.2
177.09117	3.4
177.16377	1.2
189.09171	1.6
212.99927	0.4
245.15414	1.1
255.23590	0.4
257.19373	0.5
259.16965	0.5
282.74963	0.3
331.29880	0.4
349.25375	4.8
367.26450	7.7
368.26682	0.6
411.25443	100.0
412.25696	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	411.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.8
59.01250	1.6
59.01486	0.3
63.52405	0.3
64.13894	0.3
65.03812	0.8
70.60744	0.3
71.04878	18.6
78.95758	0.4
79.05405	0.3
83.01222	0.7
83.04891	0.6
85.06445	11.1
92.02499	0.5
93.03327	3.9
95.01230	0.5
96.95874	0.4
104.62652	0.4
106.04108	3.4
107.04891	17.1
108.02009	1.4
108.05214	0.5
111.04361	0.9
111.08022	0.8
119.04885	5.4
119.60564	0.3
121.02822	6.8
135.04404	0.4
137.02330	2.0
138.29803	0.3
145.06482	0.4
154.99870	0.4
155.03398	1.4
175.11192	2.6
187.11172	0.8
201.12828	0.8
208.06393	0.7
211.11264	0.3
243.17599	0.3
249.10268	0.3
255.23384	1.4
257.19125	1.3
269.19159	4.3
270.19638	0.5
271.21078	0.4
275.49268	0.4
277.21722	1.6
279.17505	0.4
279.22745	0.5
281.19119	2.4
283.20673	6.2
286.17065	0.4
295.20612	3.2
297.22275	4.7
311.23840	1.9
349.25159	0.6
367.26440	12.9
368.26974	1.0
411.25436	100.0
412.25781	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	411.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46714	0.4
59.00976	0.5
59.01246	9.3
59.90022	0.4
78.95760	0.5
85.02785	0.5
92.02551	0.4
93.03307	1.4
101.70645	0.4
106.04111	2.7
107.04886	13.3
108.02018	0.7
109.06399	0.6
109.24135	0.4
115.94765	0.4
119.04897	5.3
121.02808	4.3
150.03102	1.7
152.99477	0.7
163.03932	2.5
167.95073	0.5
169.51337	0.4
175.11215	1.9
177.05493	0.8
182.02074	1.4
187.11211	1.9
201.12791	1.9
224.74457	0.5
231.10202	1.5
241.15657	0.5
253.21771	1.0
257.19095	17.8
258.19437	1.2
269.19083	4.3
279.17587	0.8
285.18680	1.3
297.18515	0.5
299.16895	0.6
313.18146	1.7
339.26892	0.8
342.18491	1.0
349.25394	3.1
367.26495	2.3
411.25439	100.0
412.25732	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	411.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17941	0.2
54.92654	0.3
56.50330	0.2
59.00011	1.9
59.01241	100.0
59.02300	1.2
60.01573	0.5
78.44331	0.3
78.95759	4.5
80.96184	0.7
92.02559	0.6
93.03318	0.7
96.96825	0.3
100.07051	0.2
102.84644	0.2
106.04102	1.1
107.04893	6.5
119.04885	2.1
121.02817	2.0
152.92720	0.2
152.99467	4.5
153.99783	1.4
154.99893	2.2
174.92166	0.2
175.11176	1.4
187.11169	0.2
264.21283	0.3
283.20593	0.3
337.25385	2.6
349.25369	1.9
367.26468	0.4
411.25412	21.3
412.25714	1.9
414.88266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99986	1.5
59.01242	100.0
59.02330	1.4
59.47519	0.2
60.01579	0.5
70.89986	0.2
78.95757	2.2
80.96201	0.5
81.83054	0.2
152.99464	2.4
153.99896	0.9
154.99925	1.1
163.43968	0.2
200.77339	0.2
366.84457	0.3
397.40033	0.2
411.24509	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24731	0.4
53.21472	0.4
59.01237	1.6
65.03825	4.1
69.03317	1.7
71.01257	0.5
81.03307	5.1
83.01244	0.7
83.04881	10.6
87.27870	0.5
87.87853	0.6
93.00848	1.5
93.03316	100.0
94.03683	0.8
95.01253	1.0
96.02050	1.6
102.93980	0.6
107.04881	4.7
109.02840	1.7
111.04381	31.2
119.04903	1.6
121.02836	2.0
126.09644	0.5
137.02325	84.5
138.02654	1.3
147.08037	1.4
155.03395	91.9
156.03696	1.5
161.05928	0.9
177.78990	0.5
255.23303	26.8
256.23761	0.6
257.19098	1.0
259.17050	0.9
331.29852	0.7
335.80728	0.5
349.25528	0.5
367.26489	1.4
411.25378	21.7
412.25455	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30418	0.3
51.53641	0.4
51.71407	0.3
58.99935	1.2
59.01244	100.0
59.02391	1.9
60.01568	0.5
62.60843	0.4
63.57455	0.5
72.12998	0.4
76.36341	0.4
78.95753	5.8
78.96137	0.5
80.96173	1.1
85.02816	2.9
91.72755	0.8
96.95893	1.1
96.96833	0.6
116.84290	0.4
117.31894	0.4
133.72052	0.5
152.99483	8.8
153.99823	2.4
154.99893	5.0
155.00874	0.4
158.86810	0.5
179.80977	0.5
181.07635	0.4
181.43071	0.5
251.23935	1.4
261.66507	0.5
281.81863	0.4
293.21268	0.6
351.25574	0.8
353.19968	0.9
376.69470	0.5
411.24127	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22602	3.1
55.35570	2.6
57.48942	3.0
59.01243	14.3
61.98689	13.6
71.01237	11.2
73.02812	7.4
78.95767	18.4
90.84247	3.6
93.03322	6.6
96.95897	4.0
96.96831	4.7
124.29610	3.8
134.05359	4.2
162.05194	3.9
173.04449	23.9
174.04773	6.4
197.88254	5.1
213.01682	21.8
219.13853	20.2
220.14258	16.4
249.15007	14.1
250.15353	5.5
267.18048	4.4
323.12601	5.2
329.72311	4.2
351.29584	4.2
368.25290	6.1
376.22299	4.4
403.76959	4.5
411.24008	46.6
412.13983	12.5
412.24216	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20921	0.1
59.01239	1.7
60.01572	0.2
61.01675	0.2
61.97438	1.7
61.98693	100.0
61.99819	1.2
62.16200	0.2
71.01238	0.5
79.95592	0.4
83.13634	0.2
85.02814	0.2
89.02295	0.3
93.03309	4.9
96.95869	3.9
101.02327	0.3
103.89510	0.2
111.91488	0.2
137.02313	3.8
137.58028	0.2
138.11928	0.1
152.01100	0.2
167.03448	0.3
275.02487	0.4
279.80469	0.2
348.50229	0.2
351.19516	0.2
352.19690	0.6
412.20505	0.3
413.05612	1.4
436.57645	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	412.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43042	0.3
58.99898	0.9
59.00222	1.2
59.01243	100.0
59.02431	1.8
60.01579	8.4
61.01646	0.4
62.19180	0.4
76.46180	0.4
78.95744	2.4
80.96188	1.0
84.36917	0.4
92.02557	0.7
93.03323	0.6
95.49848	0.4
98.97189	0.4
106.04119	1.3
107.04899	11.9
108.02026	0.7
108.05242	4.5
119.04893	4.7
120.05268	1.8
121.02814	4.1
122.03175	1.1
150.20770	0.4
152.42986	0.4
152.70052	1.9
152.99504	1.9
153.99782	0.6
154.99911	2.0
156.00267	0.4
175.11185	2.2
176.11476	2.0
187.11177	0.7
195.90442	0.4
201.12912	0.6
202.13295	0.7
227.12401	0.5
244.17705	0.7
284.21011	0.9
324.24207	1.0
337.25323	1.3
338.25751	6.2
340.27200	0.5
349.25385	0.8
350.25766	5.4
351.26422	0.5
411.25400	6.5
412.25766	62.9
413.26025	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	412.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43042	0.3
58.99898	0.9
59.00222	1.2
59.01243	100.0
59.02431	1.8
60.01579	8.4
61.01646	0.4
62.19180	0.4
76.46180	0.4
78.95744	2.4
80.96188	1.0
84.36917	0.4
92.02557	0.7
93.03323	0.6
95.49848	0.4
98.97189	0.4
106.04119	1.3
107.04899	11.9
108.02026	0.7
108.05242	4.5
119.04893	4.7
120.05268	1.8
121.02814	4.1
122.03175	1.1
150.20770	0.4
152.42986	0.4
152.70052	1.9
152.99504	1.9
153.99782	0.6
154.99911	2.0
156.00267	0.4
175.11185	2.2
176.11476	2.0
187.11177	0.7
195.90442	0.4
201.12912	0.6
202.13295	0.7
227.12401	0.5
244.17705	0.7
284.21011	0.9
324.24207	1.0
337.25323	1.3
338.25751	6.2
340.27200	0.5
349.25385	0.8
350.25766	5.4
351.26422	0.5
411.25400	6.5
412.25766	62.9
413.26025	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	413.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.5
59.42593	0.9
65.00200	1.3
65.03855	1.2
66.86297	0.9
68.13089	0.9
70.88781	0.8
76.93694	0.9
77.09230	1.0
82.95278	1.2
83.37521	1.1
84.95007	4.8
91.01756	3.5
93.03311	11.1
94.19659	1.0
95.04893	1.6
96.95907	3.5
102.37881	1.1
103.54925	1.1
107.01281	3.4
109.02834	2.7
113.16374	1.0
117.03372	1.1
119.01263	5.4
121.02818	33.5
133.02875	2.3
135.00787	3.0
137.02335	14.5
137.79840	1.1
138.80067	1.2
139.03885	2.7
147.00748	6.4
148.01514	6.4
149.02333	40.2
160.01611	1.8
161.02405	3.5
163.00266	39.5
165.01826	22.8
165.05524	2.9
167.04932	2.0
171.56482	1.1
173.02440	4.3
175.00296	11.7
176.01184	1.5
177.01857	7.9
178.99840	2.6
179.05022	1.2
181.06422	1.3
189.01936	1.2
190.99773	10.5
191.01193	1.2
192.00571	1.2
192.93474	1.1
193.01352	97.2
194.01785	2.5
195.04532	4.7
197.06111	3.4
202.99905	2.1
207.04512	2.0
209.00841	7.2
209.06247	1.2
211.04103	2.6
213.05579	4.8
218.99304	48.1
219.99991	1.8
223.03989	7.3
224.04843	1.5
225.05562	5.9
233.00949	1.7
235.04129	5.0
237.00418	4.5
239.03606	4.8
241.05074	7.9
246.98911	2.9
250.02765	1.6
251.03516	13.2
253.05136	4.9
263.03571	3.2
267.03137	7.7
269.04559	49.5
270.05115	1.6
279.03018	23.1
281.04578	1.8
295.02469	21.2
297.04022	6.0
306.01666	1.9
307.02487	10.1
311.02536	1.1
323.01974	20.7
325.03702	1.7
339.01422	1.5
341.03067	2.6
351.01526	30.8
352.01776	1.7
367.01004	19.0
369.02527	62.4
370.03116	2.3
395.00470	100.0
396.00949	4.9
413.01453	16.8
414.02054	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50371	0.4
57.78633	0.4
58.30155	0.4
59.01248	0.5
70.92490	0.4
72.99139	0.5
75.49088	0.5
79.95599	2.8
80.96356	0.5
96.93293	1.4
96.95869	100.0
104.50028	0.7
107.98967	0.5
108.02032	25.3
122.97440	1.6
123.04388	13.1
130.69084	0.5
135.04414	1.0
147.04436	1.2
152.01039	60.4
153.01414	1.5
167.03400	70.3
168.03766	1.6
191.07071	0.7
219.06630	0.5
245.01251	5.6
249.28174	0.5
413.05524	24.2
414.05719	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	413.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88629	0.2
53.47318	0.2
59.01250	1.2
61.98689	0.3
65.03815	0.4
71.01229	0.6
72.99172	1.5
73.65453	0.2
79.95588	4.7
80.96369	1.2
85.02814	0.4
87.00730	0.4
89.02314	0.2
93.00818	1.4
93.03314	100.0
93.05471	1.2
94.03649	1.9
94.97948	0.6
95.95088	0.9
96.93214	1.1
96.95868	74.7
96.98164	0.9
99.08035	0.5
101.02247	0.2
108.02032	4.7
109.02815	0.3
109.81100	0.2
110.97412	0.3
121.02807	0.3
122.97448	5.2
123.04393	2.1
124.05167	0.4
134.03645	0.3
135.04379	0.4
136.97864	0.9
137.02321	89.7
137.06178	1.0
138.02650	2.0
139.75494	0.2
145.02870	0.3
149.05940	0.2
150.03123	2.4
152.01039	9.1
153.01846	0.2
153.12704	0.3
159.06517	0.4
162.03111	1.4
163.11229	0.3
165.05490	1.0
166.09741	0.2
167.03398	12.2
168.03787	0.3
176.01033	0.3
177.05461	0.6
181.12274	2.5
191.03413	0.3
195.06573	0.3
241.00186	1.7
245.01231	1.4
275.02325	17.0
276.02628	0.6
307.20483	0.2
413.05515	36.1
413.19437	2.1
414.05856	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.0
61.98691	0.5
62.72780	0.4
69.67127	0.5
71.01233	3.9
72.84216	0.5
72.99155	0.9
73.02809	1.6
75.36131	0.5
76.12141	0.4
79.95599	3.4
85.02798	2.1
89.90264	0.4
92.43306	0.5
93.01004	1.6
93.03316	97.6
94.03643	1.3
95.95087	0.7
96.93398	1.3
96.95869	100.0
97.95796	0.5
98.95448	0.8
101.02293	3.6
105.97053	0.5
109.02821	0.9
113.02295	1.5
122.97437	2.7
128.03436	0.6
134.03711	0.5
137.02321	95.2
138.02678	1.6
148.05235	0.7
150.03149	1.2
152.01010	0.8
161.02393	0.9
161.04453	1.8
162.03101	0.6
163.00264	1.0
163.07558	6.4
165.05463	0.8
167.03421	0.9
167.41957	0.6
177.01939	0.6
191.05545	4.7
193.01341	0.8
207.06564	6.7
211.48647	0.5
269.04645	0.7
272.91733	0.6
275.02335	10.2
297.04129	0.9
333.19257	1.1
334.89908	0.6
336.99921	0.7
345.06146	0.8
369.02655	0.8
369.11804	0.9
377.18219	12.7
412.82849	0.6
413.05566	43.5
413.10699	4.9
414.05789	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14913	0.2
54.86969	0.3
57.00492	0.2
57.03319	4.2
57.14416	0.3
57.42417	0.3
59.01241	4.4
71.01232	0.3
79.95589	1.0
81.03339	0.6
91.01749	0.6
96.95869	15.5
99.04377	4.3
101.02303	1.3
108.02036	2.2
109.02816	77.6
110.03144	1.4
114.36504	0.3
125.02377	1.5
153.01825	100.0
153.07060	1.0
154.02144	2.3
163.03874	0.4
230.18515	0.5
249.72646	0.3
259.02832	1.3
269.10379	0.4
413.05515	5.8
413.10797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62740	0.6
59.00035	1.9
59.01243	100.0
59.02574	1.2
63.57401	0.9
69.37304	0.5
87.86401	0.6
87.87049	0.6
92.23191	0.6
100.20084	0.6
102.04386	0.5
109.02831	1.0
142.36760	0.6
151.00290	2.1
153.01819	1.4
176.50587	0.7
299.39493	0.7
302.73309	0.6
344.19049	0.7
365.12186	0.7
413.11725	0.8
413.16556	0.9
413.23407	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05519	0.4
54.94861	0.4
56.59639	0.6
58.76298	0.5
59.00131	0.9
59.01243	47.2
61.15419	0.4
67.01746	4.0
69.71323	0.5
77.79128	0.4
77.98568	0.4
84.40142	0.4
87.78036	0.5
91.76388	0.4
107.01254	0.7
107.11873	0.5
108.02029	0.9
109.02811	3.5
119.63674	0.4
119.85205	0.5
121.02847	2.2
123.00768	0.6
132.05685	2.8
143.04939	1.3
145.02716	0.5
146.03665	1.4
151.00259	1.4
152.01024	1.5
153.01807	2.8
159.04419	5.6
160.05177	3.1
161.02327	0.5
171.04462	4.2
172.05246	0.8
173.02380	0.8
175.94345	0.6
187.03932	27.8
188.04712	71.5
189.05043	1.6
203.07074	100.0
204.07367	3.3
271.13297	0.5
277.76181	0.9
279.06485	0.6
308.06799	0.9
323.05539	2.5
323.09238	2.8
328.30435	0.6
338.07715	3.0
351.05304	0.6
353.10284	1.9
383.18704	3.8
398.09985	0.8
413.12250	2.6
413.19617	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	413.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	63.4
59.83163	16.0
71.31436	18.5
72.99171	26.5
92.56628	16.9
92.62798	18.6
96.95860	48.4
109.02852	26.0
116.43277	22.3
126.54224	25.1
140.88448	25.2
141.57249	21.3
251.13217	22.0
315.16043	75.0
359.14764	100.0
377.15787	98.7
413.12912	74.2
413.17249	50.3
413.21848	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14354	0.8
59.01228	2.2
61.98673	0.9
67.01728	2.3
73.02789	1.8
75.00726	3.8
83.04893	1.1
85.03299	1.0
87.92744	0.9
89.09930	1.1
93.03323	1.0
96.18031	1.0
96.18538	1.2
103.76543	0.9
108.01991	1.1
109.02831	4.8
111.04384	15.1
113.02331	2.3
121.06470	3.0
123.04368	3.6
123.07978	2.0
125.02377	1.8
125.09591	2.0
134.03619	1.4
134.16957	1.0
137.05962	1.7
138.03127	1.0
141.01808	7.4
149.05951	11.8
151.00250	3.3
152.01062	1.3
153.01807	2.7
153.09102	21.8
161.06007	2.0
164.04703	10.4
165.05438	4.1
178.02638	3.5
179.06998	1.6
186.11308	3.7
191.03423	3.1
192.04211	5.6
192.17439	1.2
193.04987	9.8
205.05016	2.4
205.12177	1.1
211.06107	13.7
221.11736	1.6
223.06120	9.2
263.66226	1.1
271.16989	2.3
273.15204	1.3
287.16513	1.4
297.15213	1.0
301.14276	1.7
315.16006	14.1
317.13800	1.3
331.11722	1.4
331.15384	2.2
333.17145	2.5
347.13080	1.2
359.15024	100.0
359.34912	1.1
360.15292	4.2
377.16110	30.2
378.16382	1.8
413.13724	72.4
414.14038	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14354	0.8
59.01228	2.2
61.98673	0.9
67.01728	2.3
73.02789	1.8
75.00726	3.8
83.04893	1.1
85.03299	1.0
87.92744	0.9
89.09930	1.1
93.03323	1.0
96.18031	1.0
96.18538	1.2
103.76543	0.9
108.01991	1.1
109.02831	4.8
111.04384	15.1
113.02331	2.3
121.06470	3.0
123.04368	3.6
123.07978	2.0
125.02377	1.8
125.09591	2.0
134.03619	1.4
134.16957	1.0
137.05962	1.7
138.03127	1.0
141.01808	7.4
149.05951	11.8
151.00250	3.3
152.01062	1.3
153.01807	2.7
153.09102	21.8
161.06007	2.0
164.04703	10.4
165.05438	4.1
178.02638	3.5
179.06998	1.6
186.11308	3.7
191.03423	3.1
192.04211	5.6
192.17439	1.2
193.04987	9.8
205.05016	2.4
205.12177	1.1
211.06107	13.7
221.11736	1.6
223.06120	9.2
263.66226	1.1
271.16989	2.3
273.15204	1.3
287.16513	1.4
297.15213	1.0
301.14276	1.7
315.16006	14.1
317.13800	1.3
331.11722	1.4
331.15384	2.2
333.17145	2.5
347.13080	1.2
359.15024	100.0
359.34912	1.1
360.15292	4.2
377.16110	30.2
378.16382	1.8
413.13724	72.4
414.14038	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35312	1.0
55.56956	1.1
57.02263	1.8
57.03318	89.7
57.04444	1.8
58.86450	1.0
59.01243	92.0
59.02438	1.5
63.10806	1.0
71.01246	13.5
71.34808	1.1
72.99168	8.9
73.02799	5.6
78.95755	6.5
81.03323	2.6
83.01232	4.7
85.02785	8.5
87.00732	72.0
89.02312	1.9
91.72675	1.4
95.01223	1.4
99.00744	4.0
99.04377	100.0
99.07026	1.3
100.04720	1.7
101.02302	28.6
113.02332	6.7
125.02316	35.6
132.38310	1.1
133.13564	1.3
143.03369	2.4
152.99477	3.9
159.62622	1.3
161.04454	6.2
163.11182	18.7
210.96049	1.3
251.09180	2.3
269.10306	24.4
295.11868	2.7
307.56793	1.5
311.11404	1.9
325.09274	2.5
413.14221	2.3
413.23685	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	413.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80807	0.9
55.61082	0.9
57.02239	1.3
57.03315	80.5
57.04505	1.2
58.03642	1.0
58.91241	1.0
59.00097	1.5
59.01241	100.0
59.02493	1.5
70.30791	1.0
70.93942	1.0
71.01237	11.0
71.08923	1.0
73.02802	4.7
80.78943	1.1
81.03322	1.9
83.01233	2.9
85.02804	5.7
87.00727	15.2
87.91408	1.1
95.61824	1.2
99.00729	2.7
99.01906	1.7
99.04370	95.0
99.07124	1.6
100.04703	1.8
101.02297	30.8
113.02299	4.3
115.00232	9.4
120.97585	1.0
121.02826	1.9
125.02312	39.1
125.03244	2.0
133.06453	1.8
139.03830	1.1
143.03358	2.9
156.40327	1.3
159.02936	1.3
161.04425	5.2
163.11179	4.7
165.05458	1.6
167.40686	1.1
175.02396	12.7
179.50616	1.2
181.12315	1.4
189.09146	18.6
192.03081	1.2
199.11270	1.6
207.10211	41.0
207.13860	4.4
217.12367	2.3
235.38715	1.2
237.07616	3.8
251.09209	30.2
252.09602	2.2
261.11261	2.5
269.10294	13.9
279.12500	2.0
297.13452	30.2
298.13763	2.8
311.11349	3.4
353.12399	6.6
413.14398	13.5
413.23627	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95284	0.1
51.09729	0.1
53.75979	0.1
59.01239	0.3
71.01231	0.1
72.68137	0.1
84.99519	0.1
91.33685	0.1
91.73319	0.2
93.03318	10.0
93.05774	0.2
94.03667	0.2
106.04100	0.2
107.04872	0.3
113.02303	0.1
117.03317	0.3
119.04897	9.7
123.04410	0.5
130.04155	0.6
131.04883	0.3
132.05721	0.6
143.04906	2.1
145.06468	3.1
156.05687	0.3
157.06514	1.0
158.07233	0.4
159.04401	0.3
208.09053	0.1
209.09650	0.2
222.06895	0.2
229.75621	0.1
232.08757	0.1
235.07555	0.8
236.08325	0.2
248.08528	0.2
249.09233	0.5
250.10001	1.0
251.10768	100.0
251.21902	0.8
252.11089	4.6
270.54282	0.1
293.11856	0.1
353.25031	0.1
413.16141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38477	3.4
58.08844	2.9
59.01254	6.8
65.99712	8.3
67.01760	5.3
68.99699	3.2
69.03321	7.1
73.02789	2.8
79.01781	6.5
81.03323	40.7
95.01217	18.1
97.02833	5.6
107.01250	22.9
108.02032	42.8
108.18500	3.3
109.02828	54.1
109.79162	2.9
123.00751	23.4
125.02312	49.1
137.09576	4.2
151.00256	100.0
152.01053	94.1
153.01826	47.0
154.09676	3.6
165.09154	12.8
165.48013	3.5
166.02667	3.6
271.06299	6.8
316.49576	3.6
381.13602	7.6
399.14499	88.7
400.14914	5.0
413.16083	70.3
414.16205	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	413.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02252	0.7
54.59283	0.3
55.73133	0.3
56.49378	0.3
59.01233	0.4
59.59557	0.3
62.30501	0.3
64.85522	0.3
65.45632	0.3
65.99706	6.6
67.01744	4.3
68.99662	1.5
69.03307	2.4
70.72740	0.3
79.01746	3.2
80.02547	0.3
81.01472	0.5
81.03313	30.0
81.05357	0.4
82.03605	0.4
95.01237	9.9
97.02806	2.3
106.98489	0.4
107.01245	23.4
108.02056	2.6
117.33447	0.3
118.96657	0.3
119.39417	0.3
121.02808	2.0
123.00747	13.3
125.02312	32.1
126.02606	0.4
150.95645	1.2
151.00255	100.0
152.00749	2.1
153.01834	0.4
166.02637	0.5
167.03313	0.5
172.46860	0.4
186.00343	0.4
210.16655	0.4
254.53185	0.4
280.00903	0.3
288.01227	0.3
356.30762	0.3
369.17191	0.5
413.16046	8.9
414.16251	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04285	21.6
54.11290	21.3
59.01247	87.2
59.35435	26.1
61.90243	25.6
68.98307	29.4
122.66332	28.5
128.77612	28.1
147.83661	28.4
151.00325	45.4
183.01137	45.4
267.69437	29.6
301.02731	32.3
339.19980	100.0
391.33560	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85575	1.0
57.03312	1.3
59.01244	17.6
63.72065	1.1
67.01734	3.2
67.15374	1.2
71.01246	12.2
72.99142	1.4
83.01241	3.1
85.02806	33.6
87.00201	2.2
87.00732	35.6
91.72714	2.8
107.04880	3.3
112.98641	3.4
115.00234	32.2
119.04876	2.2
121.02807	3.4
129.01778	5.3
131.04797	1.3
135.52493	1.5
146.60803	1.5
157.01320	45.6
160.84079	1.6
175.02383	16.7
237.22218	1.9
255.23288	100.0
256.23599	5.8
257.19205	2.0
297.21869	1.7
330.50122	1.7
369.27975	3.2
371.25555	1.8
413.25662	58.9
414.25735	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	413.2701
Annotation	bis-Norstriatol
Peak:m/z	Relative Intensity
63.43884	0.4
65.03818	2.5
69.85498	0.4
79.05414	0.8
80.28692	0.5
81.03310	0.5
83.04884	1.0
93.03321	7.2
94.36950	0.5
94.93809	0.6
95.04877	0.8
97.58502	0.7
97.59061	0.9
99.02193	0.5
101.00835	0.6
106.04119	1.2
107.04893	71.3
107.07697	1.1
108.02030	1.3
108.05241	0.8
109.02830	1.1
111.04367	0.8
119.04926	1.5
121.02824	6.7
135.04396	1.5
207.12914	0.6
265.69714	0.6
265.88370	0.5
267.14355	0.6
271.74438	0.6
281.24875	1.4
287.23831	19.0
331.18900	1.0
331.22824	18.5
369.28012	38.5
370.28214	2.6
395.26022	2.5
413.27029	100.0
414.27310	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.27
Annotation	bis-Norstriatol
Peak:m/z	Relative Intensity
50.44208	0.4
64.00467	0.4
65.03840	0.5
71.47278	0.4
79.05395	0.7
87.02536	0.7
92.02532	2.1
93.03314	2.0
101.75980	0.4
106.04102	4.7
107.04891	25.3
108.02045	0.8
109.02834	0.8
119.04899	7.3
120.05694	0.9
121.02840	7.6
133.06430	0.6
162.93549	0.5
175.11189	4.4
187.11220	1.1
189.12790	0.6
271.22849	1.5
297.22247	33.1
298.22714	1.2
351.26962	8.5
369.27988	2.2
413.27026	100.0
414.04382	0.6
414.27374	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	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53905	0.1
56.00693	0.2
58.99973	1.7
59.01241	100.0
59.02334	1.5
60.01582	0.6
106.04124	0.5
107.04882	2.4
116.39475	0.2
119.04879	1.1
121.02854	0.5
135.04457	0.2
163.07851	0.2
239.20152	0.5
257.19122	6.0
258.19507	0.3
343.94452	0.2
351.26859	0.5
369.27753	0.4
413.26984	9.1
414.27518	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62380	0.1
59.00115	1.8
59.01241	100.0
59.02543	1.5
60.01571	0.5
75.36867	0.2
82.23225	0.2
82.49518	0.2
107.04900	0.6
119.04911	0.4
121.02837	0.3
135.61800	0.2
211.18208	0.2
215.87839	0.2
239.41359	0.2
297.22311	0.9
351.26996	0.5
413.27057	2.9
414.27414	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46599	0.3
54.99060	0.3
55.56721	0.3
58.99922	0.8
59.01242	100.0
59.02414	1.9
60.01570	0.5
68.44445	0.3
107.57694	0.3
116.56602	0.3
146.50862	0.4
150.28738	0.3
161.55173	0.3
182.95129	0.4
219.75429	0.4
314.44516	0.4
339.19989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96844	0.5
54.96921	0.2
56.02346	0.2
59.01235	0.4
71.01239	6.9
85.02769	0.2
88.03906	1.3
88.98634	0.2
89.02319	0.4
91.01755	0.7
93.03313	8.4
95.12860	0.2
96.95896	1.4
97.20129	0.2
101.02303	0.3
109.02833	0.2
111.44255	0.2
113.54016	0.2
114.01858	0.5
115.00234	9.3
116.43798	0.2
118.02853	9.8
119.03163	0.2
121.02835	0.6
128.03400	0.4
132.02936	0.8
135.99570	1.1
136.03920	100.0
137.02327	4.4
137.04257	2.1
146.06013	1.7
162.05450	0.3
164.07068	6.3
165.81877	0.2
186.27264	0.2
190.05045	0.8
208.06099	11.0
209.04530	0.4
234.04100	1.9
252.05125	12.8
253.05472	0.6
298.09326	0.6
336.29297	0.2
371.10129	0.5
396.09375	1.2
414.10458	28.7
415.10138	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	415.031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85750	2.1
59.01237	5.0
60.56919	0.7
63.39484	0.8
70.52809	0.7
71.01244	1.6
72.99158	6.4
73.99482	1.2
74.99590	2.9
75.72808	0.7
79.01742	1.8
86.06749	0.9
88.98670	3.9
89.02306	1.3
91.01771	1.7
91.73335	2.0
93.03320	1.1
96.95883	2.4
101.02316	1.6
107.01254	7.6
109.02820	7.0
117.03342	6.0
119.01240	4.3
121.02866	1.2
125.02328	2.7
133.02824	3.6
135.00768	8.1
135.04405	1.5
136.01573	0.9
145.02844	11.5
153.01810	7.0
161.02338	11.1
163.00264	94.9
163.03897	3.8
164.00667	1.2
173.02377	7.4
175.03976	1.6
177.01891	2.7
178.99786	3.5
189.01851	12.0
190.02614	1.9
193.06615	1.0
207.08147	1.4
208.58401	0.8
209.00911	3.7
217.01364	32.9
218.02126	2.4
221.06194	1.3
223.07629	2.1
229.51956	0.9
233.00888	1.6
235.07736	1.6
237.05585	1.7
239.07137	3.5
240.38266	0.9
250.06400	1.0
251.07169	7.6
257.04587	1.5
261.00406	100.0
262.01007	5.8
263.07187	2.6
264.07959	1.4
267.06650	14.4
279.06668	10.6
282.08871	6.8
294.09079	2.9
295.06198	2.1
297.11353	1.3
307.06375	1.0
311.05569	1.1
313.10892	1.4
322.16104	2.1
323.05606	8.6
325.70248	1.1
326.07947	2.4
336.06516	1.2
337.07208	1.9
338.07959	4.3
341.10303	19.4
353.10376	8.7
379.08466	1.8
382.07175	1.4
385.09457	3.7
397.09268	17.2
397.14108	1.4
397.23312	1.0
414.18030	1.1
415.13361	3.3
415.18988	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85750	2.1
59.01237	5.0
60.56919	0.7
63.39484	0.8
70.52809	0.7
71.01244	1.6
72.99158	6.4
73.99482	1.2
74.99590	2.9
75.72808	0.7
79.01742	1.8
86.06749	0.9
88.98670	3.9
89.02306	1.3
91.01771	1.7
91.73335	2.0
93.03320	1.1
96.95883	2.4
101.02316	1.6
107.01254	7.6
109.02820	7.0
117.03342	6.0
119.01240	4.3
121.02866	1.2
125.02328	2.7
133.02824	3.6
135.00768	8.1
135.04405	1.5
136.01573	0.9
145.02844	11.5
153.01810	7.0
161.02338	11.1
163.00264	94.9
163.03897	3.8
164.00667	1.2
173.02377	7.4
175.03976	1.6
177.01891	2.7
178.99786	3.5
189.01851	12.0
190.02614	1.9
193.06615	1.0
207.08147	1.4
208.58401	0.8
209.00911	3.7
217.01364	32.9
218.02126	2.4
221.06194	1.3
223.07629	2.1
229.51956	0.9
233.00888	1.6
235.07736	1.6
237.05585	1.7
239.07137	3.5
240.38266	0.9
250.06400	1.0
251.07169	7.6
257.04587	1.5
261.00406	100.0
262.01007	5.8
263.07187	2.6
264.07959	1.4
267.06650	14.4
279.06668	10.6
282.08871	6.8
294.09079	2.9
295.06198	2.1
297.11353	1.3
307.06375	1.0
311.05569	1.1
313.10892	1.4
322.16104	2.1
323.05606	8.6
325.70248	1.1
326.07947	2.4
336.06516	1.2
337.07208	1.9
338.07959	4.3
341.10303	19.4
353.10376	8.7
379.08466	1.8
382.07175	1.4
385.09457	3.7
397.09268	17.2
397.14108	1.4
397.23312	1.0
414.18030	1.1
415.13361	3.3
415.18988	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75612	0.4
54.98648	0.4
55.97573	0.4
57.30112	0.6
58.26813	0.6
58.27135	0.6
59.00998	0.5
59.01242	4.7
60.66004	0.4
65.03836	1.0
71.01238	2.0
72.99165	0.7
73.02805	0.8
81.03293	0.5
85.02814	0.6
87.00731	4.1
89.02296	2.0
91.73271	0.5
93.03307	3.6
95.04887	1.2
96.95869	25.8
96.98251	0.5
99.00706	0.5
101.02297	1.4
105.03309	0.9
109.02799	1.4
111.00718	0.6
111.08009	5.8
113.02291	1.0
117.03308	0.6
119.01276	0.8
119.03323	0.9
121.02821	31.9
123.04376	2.8
124.99440	0.4
125.02261	0.5
131.29068	0.5
133.02844	3.9
134.03603	10.6
134.04535	0.9
137.02309	1.3
139.03897	1.6
145.02879	0.6
147.00772	1.0
147.08032	2.6
148.01523	0.9
149.02328	100.0
149.05826	3.6
150.02669	2.5
151.03928	1.1
153.01878	0.6
155.07040	5.8
161.02383	0.5
163.00256	0.8
173.02356	1.1
174.03116	0.7
175.00267	2.0
175.02356	0.6
177.01854	23.3
178.02602	3.4
179.07167	0.6
186.35388	0.5
190.02498	0.7
191.07146	0.9
193.01355	41.4
193.04990	19.1
194.01616	0.9
202.99736	0.6
207.06612	0.6
209.06024	1.3
217.01364	0.8
218.02226	0.8
221.00861	9.1
223.09734	1.7
225.05510	1.7
235.03914	1.0
235.06129	2.2
237.05643	1.1
238.06061	0.5
241.00266	1.1
245.00949	0.7
246.13029	0.5
253.05089	2.3
259.01273	6.0
263.03424	1.0
264.06393	1.3
265.05106	3.7
279.03192	0.7
279.08743	5.4
281.04562	2.6
295.02432	1.0
307.02545	1.0
309.04044	6.5
325.03519	1.3
327.05142	9.8
328.05585	0.5
332.78253	0.5
335.01892	0.9
339.10733	0.6
351.01727	0.6
353.03040	24.1
354.03351	1.3
359.78815	0.5
371.04126	5.9
379.00949	8.4
397.02020	26.7
398.02304	1.4
414.97372	0.9
415.03088	20.3
415.09158	21.4
416.03491	1.5
416.09106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48774	0.2
57.03321	1.9
58.03646	0.5
59.01242	2.7
60.98857	0.7
60.99170	13.5
61.00451	0.4
71.01240	0.5
72.99158	0.5
79.61842	0.3
81.52498	0.3
85.02787	0.3
87.00735	1.7
88.96666	1.1
88.98660	100.0
89.00970	1.4
89.02285	0.8
89.99029	0.8
95.95110	0.4
96.95879	2.9
99.04368	1.8
100.04694	0.7
101.02306	0.5
109.02820	1.2
109.06465	0.4
113.02303	0.3
118.60468	0.3
125.02312	0.7
126.02637	0.3
133.02855	0.3
139.00241	1.0
140.01021	0.6
153.01836	1.1
154.02657	0.4
155.03403	0.8
163.11169	2.8
164.11574	0.5
167.03426	0.3
177.01863	0.5
201.01894	0.7
217.01398	0.6
261.00266	0.4
272.55280	0.3
276.77258	0.4
277.03918	1.2
289.85550	0.3
325.09412	0.5
415.07181	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00966	0.8
59.01244	11.6
66.80450	0.4
68.62538	0.4
69.03314	1.5
71.01233	5.3
71.07339	0.4
79.95604	1.8
80.84310	0.4
80.96386	1.3
85.02786	0.7
87.00732	1.7
89.02303	7.1
93.03331	1.5
95.04899	1.0
96.93588	1.2
96.95870	92.1
96.98417	1.0
101.02305	5.4
109.02840	0.8
111.08020	19.6
111.08795	1.0
112.08350	0.6
113.02339	2.6
119.03366	2.2
121.02818	9.4
123.04394	0.6
129.05466	0.7
133.02846	1.4
134.03612	15.0
147.08069	1.1
148.96831	0.5
149.02333	25.8
149.05995	5.5
150.02675	0.7
151.03987	0.5
155.07031	23.4
156.07397	0.6
168.98038	1.1
170.72816	0.5
173.02350	0.5
177.01848	6.4
178.02654	3.9
179.05463	1.3
193.01392	9.8
193.03140	1.1
193.04997	22.1
217.01312	0.6
221.00824	2.4
235.06190	1.1
241.00262	5.9
259.01291	26.0
265.05008	1.1
279.08823	1.1
281.04602	1.0
309.04037	1.9
327.05212	2.4
335.13434	0.9
353.03104	5.3
363.16428	1.9
363.20660	0.6
371.04025	2.1
379.01257	2.2
397.01968	6.3
415.03131	5.7
415.09128	100.0
416.09573	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	415.125
Annotation	Alpinoside
Peak:m/z	Relative Intensity
50.68765	1.2
54.86240	1.4
57.03326	1.9
59.01242	11.5
70.24823	1.5
70.68066	1.5
71.01241	29.3
73.02804	20.3
83.01254	4.8
85.02800	15.6
89.02306	4.2
93.03326	5.2
95.01222	1.8
96.95867	11.5
99.00748	5.1
101.02290	18.2
106.04107	10.9
107.04892	100.0
109.02816	6.6
113.02325	12.2
114.20874	1.6
116.55964	1.7
121.02821	3.5
122.03607	3.3
123.04409	3.5
130.04126	6.9
131.04907	9.0
132.05676	5.9
133.02802	1.8
133.06465	6.6
134.03619	7.0
135.04422	13.2
149.02365	4.7
149.05978	91.0
150.03215	1.9
150.06456	2.4
153.01749	3.8
159.02945	2.8
159.04414	7.2
161.02310	4.8
161.04497	13.1
163.00195	2.1
176.04680	2.9
177.01851	2.7
177.05492	11.5
179.03407	6.4
191.07088	21.5
193.01378	3.5
193.04961	3.2
202.02693	14.9
203.03436	23.4
209.08131	12.4
215.00182	8.6
218.02246	4.8
233.00935	2.9
235.06084	19.4
253.07327	4.1
258.99170	9.3
280.65460	1.9
297.80548	2.0
311.11368	5.5
339.10840	2.0
341.08798	76.8
342.09085	3.4
365.08908	3.0
397.01987	3.5
397.11365	10.1
415.03815	14.5
415.12543	62.1
416.12979	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	415.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10638	0.3
51.02255	0.4
51.20677	0.4
52.20457	0.4
55.85069	0.3
59.01025	0.3
59.01246	3.8
59.80391	0.4
63.17229	0.4
64.37437	0.4
65.99710	7.5
67.01749	4.3
68.32020	0.4
68.99660	1.4
69.03319	2.9
71.01211	0.5
73.28553	0.4
79.01744	3.7
80.02550	0.5
81.03313	35.6
81.05188	0.5
82.03648	0.5
83.01238	0.5
93.03322	1.3
94.72953	0.4
95.01242	13.7
97.02806	3.3
97.73401	0.4
99.26266	0.4
107.01247	21.5
108.02036	11.7
109.02814	44.0
110.03184	0.6
121.02802	2.9
122.03568	0.5
123.00750	17.0
123.04384	10.5
123.08012	5.2
125.02312	38.8
125.05916	0.6
137.02328	0.8
139.03886	1.1
148.05142	0.4
149.05931	0.7
151.00258	100.0
151.04922	1.1
152.01059	13.2
153.01823	59.4
154.02113	0.9
162.03070	0.6
163.03844	0.6
167.07034	1.3
178.99788	0.8
203.10733	0.7
217.12321	1.6
231.10214	1.0
233.11783	6.2
243.06483	0.7
245.11765	1.0
247.09781	0.6
256.12119	0.5
261.11343	5.3
271.06165	1.5
275.09296	7.2
291.08749	1.6
315.05093	3.1
346.54831	0.5
394.23587	0.5
397.12994	2.2
415.13925	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02261	0.7
53.60983	0.2
53.80618	0.2
59.01232	1.0
61.98703	2.0
65.99370	0.5
65.99709	6.2
67.01750	5.0
68.99668	1.1
69.03316	2.8
70.64497	0.3
71.01221	0.4
79.01734	2.3
81.03313	24.8
81.63629	0.3
82.03637	0.3
89.02324	0.3
95.00656	0.7
95.01240	9.8
97.02798	2.5
107.01244	11.7
108.02032	4.8
108.61603	0.3
109.02815	12.2
117.03310	0.9
119.04873	1.0
121.02818	2.6
123.00746	12.3
123.04365	2.9
123.08051	0.9
125.02313	32.9
126.02651	0.5
137.02379	0.4
145.02832	1.9
149.02341	0.3
150.95085	1.0
151.00255	100.0
152.01051	6.5
153.01822	19.6
154.02113	0.5
163.03902	0.6
192.95920	0.3
217.12361	0.4
229.66071	0.3
233.11769	1.5
261.11258	1.1
271.06140	0.9
275.09341	1.0
288.73083	0.3
291.08743	0.8
315.05167	0.9
364.88480	0.4
397.13055	0.6
415.13834	2.2
415.24908	3.2
416.20856	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15271	0.6
51.91500	0.4
55.27380	1.0
55.27611	0.5
58.23761	0.6
58.47464	0.4
59.00971	0.7
59.01243	10.4
60.48477	0.5
65.99725	0.6
67.01743	1.1
69.03306	1.3
71.01240	1.2
73.41927	0.5
75.00726	1.0
81.03306	1.5
88.98678	0.6
89.02283	1.1
90.47948	0.4
95.01231	1.2
97.02798	4.4
103.41377	0.4
107.01216	1.0
108.02035	5.1
109.02810	2.9
111.00743	2.1
121.02845	3.0
121.06474	0.6
123.00748	5.2
123.04393	3.7
125.02300	2.0
130.04103	1.0
132.02016	2.6
135.04433	0.7
136.01538	13.4
143.04935	2.3
144.05690	0.6
145.02826	1.3
145.06493	3.2
146.03635	3.2
147.04390	3.4
149.02328	2.6
151.00310	2.7
151.03893	17.6
152.00983	1.0
153.01828	1.4
158.03647	5.5
159.04398	7.8
160.05190	43.5
161.05762	1.2
164.04634	0.6
166.02573	1.0
171.04427	1.0
172.05202	4.0
173.02325	1.0
173.05992	6.9
174.03146	6.8
174.06706	0.6
175.03851	0.8
175.07561	26.2
176.07880	0.6
178.99792	1.9
186.03127	3.0
187.03926	22.8
188.04706	8.8
189.05489	2.6
193.01373	0.8
201.05508	5.2
202.06291	6.1
203.07100	8.4
219.02834	1.0
221.11803	0.7
222.06845	0.7
223.07610	0.8
236.04877	0.7
239.07132	2.1
249.05579	1.2
250.06256	1.5
251.07086	2.0
266.05856	0.9
267.06683	2.3
277.05130	0.9
279.06769	1.4
280.03882	1.6
281.08237	1.0
282.08942	1.2
293.08228	0.6
295.06186	5.5
301.07077	1.4
307.08505	0.7
308.34604	0.5
309.07571	0.8
310.08444	6.2
325.10828	100.0
326.11224	4.9
339.08548	1.0
355.12073	3.4
376.33066	0.6
410.58524	0.5
415.13879	3.5
415.23450	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73730	0.4
58.99910	1.1
59.01241	100.0
59.02454	1.7
60.01594	0.5
61.98689	1.3
62.24673	0.4
66.97006	0.5
71.01240	15.4
72.96057	0.4
72.99169	1.0
73.02816	1.7
78.91747	1.7
83.01249	1.6
85.02796	3.5
87.00740	1.8
89.02295	21.9
89.02834	1.2
91.72672	1.6
93.03315	7.5
94.03673	1.1
95.01274	0.6
96.95862	4.0
98.95464	4.0
98.96310	0.6
101.02304	9.9
108.02020	0.9
109.02814	7.2
110.19654	0.5
113.02306	6.7
117.03360	1.0
119.03362	11.4
120.10219	0.5
120.71496	0.5
121.02901	0.7
125.02335	0.8
127.57889	0.6
131.03424	0.7
133.02864	1.3
137.02316	6.2
138.02711	1.0
139.02774	0.5
140.75352	0.6
143.03415	1.9
145.02895	1.2
147.08099	0.6
148.01656	0.8
149.02390	1.0
149.04437	1.1
151.03952	0.9
153.01862	2.3
161.02374	2.5
161.04449	3.2
163.00266	6.3
165.02029	0.7
171.04614	0.6
173.02408	2.4
173.04576	0.8
174.03259	0.8
175.07558	20.2
176.08009	1.2
177.01894	2.3
178.99823	1.4
179.03500	0.7
179.05547	3.8
179.10812	0.7
189.01967	2.3
190.02660	2.0
192.00836	0.6
193.08728	2.2
217.01335	5.0
218.02072	3.3
219.03030	0.7
242.99245	1.0
255.03055	1.1
261.00375	2.7
262.01080	4.2
265.05359	0.7
271.02539	0.9
273.04187	1.8
283.06110	1.3
302.08105	0.6
327.05197	1.8
335.94363	0.6
355.13934	3.8
371.04092	1.6
371.17279	1.9
415.05542	3.5
415.16071	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	415.1614
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01751	1.2
57.03310	4.1
58.00464	0.7
58.45323	0.4
59.00084	0.8
59.01242	44.5
59.02539	0.7
68.99654	0.6
69.03313	2.2
70.99711	1.7
71.01238	89.1
71.02931	1.1
72.99155	2.2
73.01216	0.8
73.02802	43.4
73.66995	0.5
74.03159	0.7
75.00742	2.7
81.03323	1.6
83.01240	13.8
84.02014	0.7
85.00830	0.7
85.02804	43.7
85.05019	0.5
87.00725	5.3
89.00140	0.5
89.02295	26.2
94.91493	0.5
95.01229	5.3
96.95876	1.1
97.02809	4.8
97.32759	0.7
99.00734	17.4
99.04362	0.9
101.02300	71.7
102.02656	0.8
109.02797	2.3
111.00731	1.3
112.99213	0.6
113.02307	37.5
114.02591	0.8
115.03866	3.2
117.03362	0.7
119.03358	2.4
121.06443	0.8
125.02322	5.9
129.01793	1.7
131.03378	6.8
143.03397	4.8
144.88979	0.5
149.04420	5.0
153.01773	0.9
159.02902	8.9
160.99205	0.9
161.04449	52.5
162.04790	0.6
191.05516	2.4
201.01813	1.5
205.03484	0.5
206.49588	0.9
217.01347	2.0
229.17276	0.5
233.06625	6.3
283.11880	81.6
284.12143	2.8
293.08795	2.6
302.22183	0.6
393.44772	0.8
415.16122	100.0
416.16382	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1613
Annotation	2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.33371	0.6
55.01744	1.8
57.03323	3.4
58.00440	0.6
59.00120	1.1
59.01242	47.7
59.02477	0.8
62.05617	0.5
69.03294	1.6
70.99734	1.5
71.01240	73.7
71.02887	1.2
72.99161	2.4
73.02803	27.4
75.00731	1.0
75.53526	0.6
83.01241	12.2
85.02804	33.5
85.04987	0.9
87.00743	3.2
88.21443	0.6
89.02296	36.4
93.03324	0.8
95.01235	3.7
96.95869	4.8
97.02809	2.1
98.95466	6.9
98.96178	1.0
99.00733	17.8
101.02302	62.6
111.00713	0.9
113.02307	33.2
119.03370	3.3
125.02331	5.5
129.01804	0.9
131.03389	5.2
143.03377	4.7
145.27539	0.6
149.04440	12.5
152.01106	1.4
152.71761	0.6
159.02887	7.5
161.04451	58.0
162.04802	0.9
163.00198	0.8
167.03371	1.4
179.05551	1.2
191.04007	0.6
191.05502	3.8
191.10802	0.7
194.09352	0.6
199.22435	0.7
205.03496	1.5
215.34222	0.7
221.06619	0.8
237.05867	0.7
251.07726	1.3
267.83551	0.7
283.11880	100.0
284.12149	4.4
284.97794	1.3
327.10974	1.0
338.13800	0.7
397.15067	2.1
415.10870	1.2
415.16101	15.6
416.16180	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	3.0
58.00462	2.0
58.99919	1.0
59.01240	100.0
59.02420	1.9
60.01594	0.5
64.38225	0.5
68.99679	0.6
69.03327	1.5
71.01237	58.9
71.02790	1.1
71.04874	19.0
72.99172	3.5
73.02792	7.4
75.00734	0.6
77.36559	0.6
81.03310	5.0
83.01231	4.8
83.04890	1.5
84.02022	1.0
85.02804	15.4
87.00732	2.3
89.02293	59.5
89.04475	0.8
90.02613	0.6
95.01251	3.3
95.04884	0.8
96.95873	2.3
97.02815	5.9
97.06454	2.5
99.00746	2.9
99.04369	3.7
100.99381	0.6
101.02299	38.6
101.04922	0.7
107.04843	1.4
109.06463	0.7
113.02304	24.8
113.03097	1.3
113.05944	0.8
115.00301	1.2
115.03870	86.1
115.07064	1.1
119.03365	24.8
121.10110	1.6
125.02302	1.8
126.03087	1.1
131.03362	2.3
135.08037	1.4
137.09601	3.9
143.03406	4.4
149.04420	1.5
149.09616	1.1
159.02805	1.4
161.04472	7.7
173.03006	0.6
173.13283	2.8
179.05499	4.3
179.10667	0.9
188.52216	0.7
189.12782	2.3
191.14336	31.9
192.14719	1.0
205.08257	0.6
217.12422	0.7
235.13370	19.8
235.15804	1.1
236.13736	0.8
237.15002	0.8
253.14461	11.2
295.12637	0.6
295.15616	3.5
299.18564	0.9
300.21732	0.9
415.19696	14.7
415.24255	1.0
416.19943	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49418	0.7
55.01738	1.0
57.03308	2.6
58.00439	1.3
58.43906	0.8
58.99915	1.3
59.01241	98.8
59.02420	2.1
60.01567	0.9
63.75445	1.0
66.71745	0.8
69.03307	1.2
71.01239	63.2
71.04876	19.0
71.18314	0.8
72.99171	1.4
73.02808	6.4
77.38576	0.8
80.02544	0.8
81.03307	6.1
83.01221	4.7
83.04863	1.3
85.02797	17.2
85.06416	0.9
87.00739	1.4
89.02296	53.3
91.21194	0.9
91.73409	1.8
95.01238	2.9
95.04881	1.4
97.02787	6.6
97.06441	3.4
99.00742	2.4
99.04374	4.1
101.02299	32.6
107.04848	0.9
108.52618	0.9
109.06465	1.3
109.40116	1.0
113.02306	23.4
115.03872	100.0
116.04240	1.1
119.03361	20.8
121.10095	2.0
125.02265	1.2
131.03369	1.5
137.09607	3.3
143.03371	2.3
149.04527	1.4
159.02910	1.1
161.04437	5.9
173.13284	1.7
179.05554	1.7
189.12755	1.2
191.14336	25.5
192.14603	1.3
204.49403	1.0
235.13341	21.2
236.96440	0.9
237.15088	1.0
253.14407	8.3
295.15402	2.6
397.72668	1.3
415.19861	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	415.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49624	0.4
56.83664	0.3
57.03291	0.5
57.29515	1.1
59.01230	1.5
61.04773	0.3
69.02219	0.4
69.03331	0.6
71.04878	0.9
73.02806	0.5
73.07297	0.3
76.39179	0.3
80.02518	0.8
81.03323	2.8
84.02032	2.7
88.79347	0.5
91.92033	0.4
93.60631	0.3
95.04889	0.7
98.03595	7.5
99.04382	3.1
108.02034	6.0
117.03331	34.2
117.06524	0.6
118.04137	5.3
119.01209	0.4
119.04897	35.9
121.02819	9.5
123.04400	2.3
126.03100	2.2
131.19371	0.4
133.02832	2.6
134.03632	1.1
136.06416	0.4
136.65250	0.5
145.02840	67.7
146.03172	0.6
162.03108	3.2
163.03917	13.0
263.23819	2.6
265.25406	1.0
275.23911	2.6
279.23334	1.0
287.23880	0.6
289.25385	6.6
291.23386	1.2
291.26666	0.5
293.24890	6.3
307.26447	29.4
308.26672	1.2
317.24921	4.2
335.25934	26.4
336.26569	0.8
361.23889	2.4
366.24557	0.4
379.24951	9.1
415.15839	2.4
415.24942	100.0
416.25186	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	415.249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49609	0.4
54.67446	0.2
55.04181	0.2
57.29518	0.9
60.42151	0.2
65.93102	0.2
68.79125	0.2
69.68620	0.2
86.45982	0.3
87.73735	0.3
93.03317	0.4
101.28288	0.3
104.56905	0.3
116.99810	0.5
117.03327	35.8
118.04156	8.3
119.04892	35.8
120.05243	0.8
121.02823	8.7
123.04398	2.1
124.74840	0.3
133.02840	2.0
134.03601	0.5
144.97906	0.7
145.02835	68.7
146.03206	1.3
147.04393	0.3
162.03148	2.8
163.03906	13.8
164.04253	0.4
261.21805	0.3
291.29050	0.3
315.28561	0.3
341.70508	0.3
356.18292	0.3
415.24927	100.0
416.25278	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49604	0.8
57.29535	1.1
57.29774	0.7
63.37419	0.6
67.69287	0.5
73.55546	0.5
79.91653	0.6
91.73409	0.7
99.00636	0.6
100.50099	0.5
117.03327	36.6
117.06853	0.7
118.04179	3.8
119.04893	39.4
120.05267	0.8
121.02824	10.7
123.04410	2.9
133.02837	2.9
134.03600	0.8
134.05994	0.6
139.38235	0.6
144.98384	1.1
145.02838	68.6
146.03151	1.3
149.02345	0.6
162.03062	3.4
163.03911	16.0
202.38289	0.7
376.65021	0.6
382.73770	0.7
415.24924	100.0
416.25183	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	415.249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49614	0.5
52.00032	0.3
56.66153	0.3
57.29509	1.1
57.29806	0.6
65.56787	0.3
77.48288	0.3
93.03328	0.3
117.03325	37.2
117.06639	0.5
118.04139	8.7
119.04893	39.2
119.08308	0.5
120.05221	1.3
121.02820	9.2
123.04352	3.1
124.74860	0.4
133.02850	1.7
134.03607	0.7
145.02832	79.7
145.07487	0.9
146.03192	3.2
147.04396	0.4
162.03137	3.5
163.03906	17.2
164.04271	0.8
170.68153	0.3
199.27353	0.4
301.02222	0.4
350.32074	0.4
397.54016	0.4
415.24924	100.0
416.25284	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	415.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49603	0.7
57.29534	1.0
57.29764	0.6
59.01235	0.8
64.38532	0.4
65.85801	0.5
67.15488	0.5
71.01231	0.7
72.16195	0.5
77.34361	0.5
117.03328	38.4
118.04140	3.7
119.04890	41.2
120.05185	0.9
121.02832	10.2
123.04388	3.8
133.02820	2.8
134.03610	1.6
144.98253	1.2
145.02835	73.4
146.03191	1.6
162.03131	4.1
163.03920	13.9
170.67953	0.6
323.84668	0.6
371.25909	0.8
415.24930	100.0
416.25226	5.4
435.10907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	22.1
65.05440	8.0
65.17882	9.5
70.93331	8.3
80.04532	8.0
91.72791	12.7
117.03322	15.7
117.51789	8.3
119.04887	19.8
121.87663	11.1
131.85757	10.8
137.29337	9.8
145.02827	38.7
163.11172	100.0
164.11490	13.5
219.12404	11.5
308.50763	11.6
339.23230	48.4
343.88211	12.3
415.25070	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2855
Annotation	CHEBI:68421
Peak:m/z	Relative Intensity
61.62128	0.2
64.03223	0.3
65.03525	0.3
65.03822	2.3
79.05398	0.9
79.37764	0.3
81.03321	0.6
83.01257	0.3
83.04877	1.4
90.30180	0.3
93.03322	7.8
95.04872	1.0
98.09026	0.4
98.09587	0.5
106.04092	0.5
106.74572	0.3
107.04888	44.3
108.02024	0.7
108.05202	0.8
109.02827	1.2
111.04369	0.8
117.03318	0.5
119.04905	0.3
121.02831	5.9
133.02837	0.4
145.02820	0.7
151.03738	0.3
174.03191	0.4
263.23807	1.3
284.51135	0.3
289.25430	1.0
302.26120	0.3
333.24506	0.6
371.29572	27.6
372.29947	2.0
397.27505	2.5
415.28595	100.0
416.28925	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	415.2855
Annotation	CHEBI:68421
Peak:m/z	Relative Intensity
52.49889	0.2
57.03305	0.3
65.03827	2.5
67.64337	0.3
79.01761	0.3
79.05383	1.2
80.02483	0.2
81.03316	0.7
83.04874	0.8
85.21552	0.3
92.69192	0.3
93.03315	7.7
95.04877	0.8
103.13988	0.3
107.04888	49.9
107.08123	0.6
107.57167	0.3
108.02052	0.5
108.05220	0.9
109.02828	1.3
111.04384	0.7
117.03299	0.4
119.04896	7.1
119.05750	0.4
121.02831	5.5
129.46655	0.3
132.11137	0.3
137.02359	0.3
143.04909	0.8
145.02812	0.6
151.03836	0.5
155.51811	0.3
159.08049	0.4
161.05963	4.4
163.03868	0.3
168.84390	0.3
224.69270	0.3
234.07208	0.3
239.56042	0.3
251.23792	1.1
264.75278	0.3
323.76627	0.3
353.28546	8.5
354.28879	0.5
371.29565	15.3
372.29874	1.0
391.15341	0.4
415.28592	100.0
416.09470	0.3
416.28888	8.1
436.49768	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2855
Annotation	CHEBI:68421
Peak:m/z	Relative Intensity
54.33898	0.2
57.12048	0.2
60.18025	0.2
63.09188	0.2
70.58082	0.2
75.82145	0.6
75.82584	0.5
92.02525	1.8
93.03259	0.4
93.83954	0.2
95.01202	0.4
106.04099	7.3
107.04915	1.9
108.01952	1.1
117.03332	4.4
118.04076	0.6
119.01521	0.3
119.04890	17.3
121.02821	8.5
123.04367	0.5
132.09332	0.2
133.02768	0.5
133.06467	5.2
137.02286	0.4
139.11073	0.4
145.01727	0.5
145.02831	8.9
146.03134	0.3
147.02965	0.4
147.07970	0.3
161.09518	0.4
162.03189	0.4
163.03889	2.0
175.11099	0.9
189.12749	0.7
203.14345	0.4
215.01727	0.3
231.17508	100.0
232.17836	5.0
257.19156	2.1
259.17099	0.6
259.20587	0.4
271.20694	0.9
271.58023	0.3
285.22360	0.5
299.23782	0.4
329.28506	0.5
353.24280	0.4
353.28525	7.2
354.28976	0.5
369.28250	0.3
371.29514	1.9
387.48779	0.3
415.28784	82.4
416.29257	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09546	2.1
59.01242	100.0
73.65782	2.1
117.03339	7.3
119.04915	7.7
131.61356	2.5
145.02844	14.0
206.91997	2.7
207.23097	2.8
217.16844	2.5
238.56389	2.6
248.88687	2.5
267.29559	2.4
415.24771	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	415.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88929	0.3
59.00070	1.8
59.01245	100.0
63.14505	0.4
71.56345	0.3
78.55916	0.3
89.08218	0.4
107.04869	0.3
117.03332	6.4
118.04088	0.8
119.04904	6.4
121.02850	2.1
123.04381	0.6
135.04605	0.4
145.02843	12.8
152.03287	0.4
152.79347	0.4
163.03935	2.6
231.17354	0.6
253.19003	0.4
273.22186	1.4
286.22516	0.5
317.21136	1.4
317.24524	0.4
332.59290	0.4
415.24826	17.1
415.29016	0.8
416.25159	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07083	0.3
51.07819	0.6
59.01221	1.1
59.87847	0.3
64.94810	0.3
69.35375	0.3
69.35743	0.3
91.01737	0.3
91.05365	0.5
93.03313	0.6
95.73536	0.4
103.05392	0.5
107.01251	1.1
108.02052	1.0
109.02814	25.6
119.04897	3.5
121.02806	1.3
123.04387	1.1
129.03343	1.7
131.04874	1.7
132.02036	1.2
133.02820	0.7
135.00755	0.6
135.04398	0.7
145.02771	0.5
146.03593	1.4
147.04402	19.9
148.04718	0.6
153.01826	5.4
158.03671	2.0
159.04411	27.1
160.04729	0.8
163.00262	1.9
164.00989	0.9
165.01849	0.5
173.02347	0.4
174.03110	2.8
175.03914	9.8
176.01097	2.1
177.01846	1.9
178.99788	4.2
191.03424	25.2
192.03912	0.7
195.06612	0.7
210.89684	0.4
219.02942	100.0
220.03296	4.3
252.07904	0.9
253.94843	0.4
263.01974	17.6
264.02377	0.7
265.03552	0.4
269.08191	11.9
270.08533	0.8
357.06049	0.7
410.02847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12829	0.5
59.01244	18.6
59.29659	0.6
65.03831	0.6
66.49725	0.6
69.03345	0.7
71.01236	6.1
72.99159	1.7
73.02819	1.8
83.01265	0.8
85.02798	1.6
89.02303	7.7
91.01756	1.3
93.03309	4.1
95.04875	0.7
96.95842	1.6
99.00724	1.1
101.02274	2.5
105.11567	0.7
107.01260	2.0
107.04918	1.2
108.02019	5.5
108.99876	1.3
109.02816	100.0
109.76411	0.7
110.03160	2.4
113.02325	1.4
115.03809	0.9
117.01817	1.3
117.66086	0.9
119.01258	1.5
119.03370	1.4
119.04892	3.7
121.02819	13.2
122.03601	1.4
123.00772	3.0
123.03501	1.6
123.04391	29.2
124.01512	1.4
125.02335	3.9
130.04111	2.6
131.04893	2.8
133.02817	1.0
134.03578	0.8
135.00783	3.9
135.04401	11.6
136.01546	2.9
137.02301	2.9
139.03841	1.3
145.02824	1.8
147.03360	1.1
147.04430	12.0
148.01556	5.3
149.02324	2.8
149.04382	1.1
150.03131	1.0
151.00317	1.0
153.01823	20.6
158.03627	2.2
159.04388	2.4
161.02371	2.6
161.04442	2.0
163.00270	51.3
163.03909	65.4
163.09901	0.9
164.00783	1.4
164.04248	2.0
165.00523	1.5
165.01836	19.1
165.05487	0.9
171.04417	1.0
173.02339	1.4
173.05974	0.8
174.03133	4.0
175.03920	28.2
176.04512	3.3
177.01836	2.8
177.09148	0.9
178.99812	5.5
180.04169	1.2
183.04417	1.6
190.99792	2.6
191.03461	7.3
191.05309	1.1
192.00574	10.5
192.03737	0.8
193.01128	0.7
195.06541	3.8
195.78169	0.8
196.05168	0.8
199.03979	2.0
201.05405	1.2
202.02702	2.2
205.01389	12.2
207.02907	0.9
211.03996	1.8
211.07559	1.5
212.04782	0.9
218.94673	0.7
219.02957	29.8
220.03720	25.5
221.04173	0.8
221.06137	1.0
224.04756	2.0
225.05473	1.0
227.03477	3.6
228.04005	1.4
229.05051	5.1
233.06680	2.2
239.07115	2.9
243.06468	0.9
249.05617	1.9
255.02986	10.0
256.03754	1.7
257.04596	3.7
263.02020	5.4
264.02768	19.3
265.05249	1.6
267.06644	34.3
268.06976	1.6
270.05447	1.3
271.02414	0.8
273.04083	58.5
274.04440	1.6
285.07684	27.3
286.08078	0.9
293.08774	4.6
299.01990	1.9
311.05600	4.9
329.06699	27.2
330.07013	1.8
355.04507	1.1
357.15527	2.6
373.05682	37.7
374.06210	1.8
417.04770	2.5
418.15533	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39620	0.3
57.11974	0.3
59.01242	2.5
59.79479	0.3
60.99170	12.7
70.56179	0.3
71.01257	0.5
78.95736	0.4
79.89747	0.4
84.31360	0.4
85.02812	0.5
87.00767	0.6
88.96254	1.0
88.98658	100.0
89.00781	1.5
89.02259	0.5
89.99023	0.8
96.95888	1.1
99.00819	0.4
101.02313	0.5
107.60761	0.4
121.02817	0.9
123.04382	1.4
135.59677	0.4
149.05988	0.5
165.01831	9.0
165.05467	1.0
167.07021	2.5
193.04961	0.8
193.08644	0.5
195.06508	0.6
204.99956	0.5
216.99057	0.4
327.07278	5.6
331.39920	0.4
380.15372	1.1
417.10040	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	417.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49314	0.2
56.67728	0.2
59.01227	0.4
60.10482	0.3
63.28537	0.2
65.00169	0.3
71.07520	0.2
75.17738	0.3
75.65506	0.2
79.55425	0.2
80.31346	0.3
83.01244	0.2
83.64964	0.2
85.25660	0.2
91.72970	0.4
93.03281	0.3
107.01229	0.7
125.02325	0.4
132.02036	0.3
135.00748	0.4
143.04878	0.4
151.00240	1.6
153.01791	0.4
163.00221	0.4
165.01933	0.2
169.01303	0.2
178.99695	0.3
182.03590	0.4
183.04411	2.0
185.02374	0.3
185.05920	0.5
187.03972	0.3
189.05476	0.3
199.03893	0.4
211.03944	2.1
213.05481	0.3
227.03452	78.0
227.12465	0.8
228.03809	3.4
229.04955	1.5
239.03400	0.7
240.04089	0.3
241.04999	0.4
255.02969	93.1
255.13318	1.0
256.03622	10.0
257.04504	0.9
269.04547	0.2
283.02689	0.3
284.03259	78.9
284.15869	0.8
285.03998	26.3
286.04468	1.1
327.05060	0.9
410.34558	0.3
417.08292	100.0
418.08643	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	417.083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83381	0.7
57.31623	0.3
58.89063	0.2
59.01232	1.3
65.26849	0.3
71.01237	0.4
71.60121	0.3
89.02287	0.5
90.03875	0.3
91.05369	0.5
93.03318	0.7
94.83350	0.3
105.03290	0.3
108.02042	1.2
109.02811	68.1
109.05779	1.1
110.03155	1.5
119.04895	2.3
120.15989	0.3
121.02826	1.8
123.04397	1.6
129.03334	2.8
130.04088	0.6
131.04916	1.1
133.02840	0.4
135.04404	2.3
137.02336	0.8
145.02806	0.8
146.03670	2.6
147.04401	28.1
148.04716	0.7
153.01822	0.7
158.03644	3.4
159.04408	100.0
159.09599	1.4
160.04761	3.2
161.05949	0.8
174.03154	0.5
175.03891	2.6
177.01778	0.3
178.13377	0.3
178.99751	0.4
191.03386	3.5
198.06679	0.4
202.69635	0.3
211.07567	0.5
213.09256	0.4
219.02931	13.3
219.05040	0.7
220.03275	0.5
237.05542	0.5
239.06999	0.4
251.07135	0.9
251.53200	0.3
252.07883	2.6
254.05756	0.6
263.01996	2.1
267.06601	0.7
268.07401	1.7
269.08197	44.2
270.08575	2.7
337.43774	0.3
357.06204	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	417.1041
Annotation	Mollugoside
Peak:m/z	Relative Intensity
50.64551	0.4
57.03310	0.4
58.00480	0.7
59.01246	2.5
62.19417	0.6
71.00873	0.6
71.01237	6.8
72.99167	24.8
73.02808	2.6
75.00741	3.5
75.47994	0.4
81.27661	0.4
83.01247	0.6
83.86343	0.4
83.90728	0.4
85.02806	3.6
87.24566	0.5
89.02315	0.7
89.55840	0.4
93.03317	39.4
94.03677	0.6
95.01231	0.8
97.39013	0.4
99.00737	3.8
101.02306	4.2
103.00220	0.7
106.04103	1.7
107.04887	20.4
113.02288	3.2
114.93005	0.5
119.04897	1.3
121.06452	1.3
123.04365	0.9
130.04131	0.6
131.04910	1.8
132.02034	0.7
133.02837	3.2
134.03566	0.7
135.04379	7.9
135.52121	0.5
147.04398	1.0
149.05969	6.3
161.04466	1.4
163.03922	1.7
165.05472	29.0
175.03886	0.9
179.03374	1.0
181.04993	2.0
192.04283	0.9
193.04980	10.3
211.06081	2.5
215.72881	0.7
255.05144	0.8
299.00348	0.5
327.10953	1.3
334.05161	1.0
337.07687	3.5
341.08823	4.0
355.10284	2.6
417.10419	100.0
418.10858	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.8
59.01249	3.9
62.19396	0.8
71.01242	7.1
72.99166	22.3
73.02793	2.6
75.00733	6.0
83.01259	0.8
85.02789	3.1
87.00717	2.0
87.36465	0.7
88.25368	0.6
91.73502	1.1
93.03315	32.6
94.03629	0.7
99.00746	4.6
101.02290	3.5
106.04095	1.7
107.04890	17.5
113.02302	2.8
117.59664	0.6
119.04843	1.4
121.06483	1.1
125.02313	5.4
128.03416	1.2
129.01775	0.7
130.08635	3.3
131.04903	2.0
133.02831	2.2
134.03561	1.5
135.04404	6.6
147.04436	1.8
149.05934	5.5
161.04449	0.8
163.03894	1.8
165.05473	34.0
173.04506	1.2
175.03870	1.9
179.03391	0.7
181.04993	1.8
193.05005	12.8
194.05269	0.8
211.06004	1.5
214.30687	0.7
242.34761	0.7
305.46078	0.8
334.05032	1.0
341.08734	3.3
355.10394	1.7
417.10425	100.0
418.10754	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90306	1.1
52.32675	0.5
55.01726	0.6
59.01228	1.3
66.03339	1.9
68.36610	0.5
69.03312	1.2
70.20671	0.5
71.01246	3.3
71.04874	0.6
72.99142	0.9
73.02395	1.1
73.02802	19.4
73.26228	0.5
75.00732	3.1
81.03301	2.2
82.02830	3.9
83.04873	8.8
85.02792	3.1
87.00718	1.9
93.03313	47.7
93.05663	0.8
94.02879	0.6
94.03650	0.8
96.95857	0.9
99.00742	6.7
99.04373	6.1
101.02305	1.1
109.02776	1.0
110.02338	18.4
111.01863	5.9
111.04376	20.4
111.05141	1.2
115.00224	0.6
122.02347	0.9
124.00266	2.1
124.03860	1.2
125.02312	0.7
125.42503	0.6
128.03439	0.7
129.01825	2.6
129.05441	1.6
130.05014	0.8
137.02319	15.0
140.03410	1.9
143.03336	4.1
152.03409	3.7
153.02965	1.6
155.03384	11.2
159.02844	1.0
173.04456	100.0
174.04781	2.1
175.02391	1.5
179.31239	0.5
184.02390	0.9
200.05565	9.5
222.00282	0.6
235.03789	0.6
243.06212	47.2
244.06644	1.5
247.82523	0.5
279.86301	0.6
282.02328	0.6
283.04681	0.8
287.40656	0.6
341.11047	0.6
417.09784	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48444	0.3
58.99982	1.6
59.01242	100.0
59.02330	1.5
61.98691	1.5
71.01245	3.6
72.99178	0.6
73.02821	0.6
75.00728	4.6
83.04903	0.5
85.02802	1.0
87.00732	0.6
87.05492	0.8
89.02309	3.8
91.72672	0.6
93.03338	0.5
96.95860	2.6
96.96857	0.5
101.02299	2.6
107.08530	10.2
107.96538	0.4
113.02303	4.0
119.03397	1.9
121.06646	0.4
125.02332	0.8
128.03384	0.6
129.06602	0.5
130.08614	1.2
133.04953	0.9
133.06442	0.6
136.07530	0.7
143.03418	0.5
143.11861	0.6
149.09625	1.3
151.07535	41.9
151.12126	0.6
152.07933	1.3
161.04549	1.2
173.04535	1.2
177.05449	0.5
179.05565	1.2
193.08632	2.1
195.06554	9.4
211.09755	0.9
217.06293	0.6
218.06439	1.0
223.09869	0.7
237.07721	0.6
243.17075	0.7
255.08731	7.8
255.11130	0.6
313.12991	1.8
357.18176	0.5
379.07086	0.4
387.18829	1.0
417.13556	1.7
417.19583	0.8
419.60867	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05199	0.4
57.03312	1.1
58.00467	1.4
58.99983	1.0
59.01241	66.6
59.02374	1.4
60.01592	0.5
69.03315	7.2
70.99591	0.9
71.01238	76.8
71.02732	1.3
72.99164	2.1
73.02802	10.9
74.98956	0.6
75.00729	3.6
81.03326	4.1
83.01237	5.5
85.02806	10.6
87.00751	2.9
88.99960	1.3
89.02296	100.0
89.04363	1.9
90.02655	0.7
93.03320	0.9
95.01234	2.3
96.95874	1.4
97.02806	13.9
97.39915	0.5
99.00735	17.6
99.04352	2.5
101.02301	19.0
107.98912	0.8
108.02029	51.5
109.02805	1.9
111.00730	1.8
113.02306	10.4
115.03868	8.6
116.09572	0.6
117.01797	0.6
119.03346	2.2
123.04389	10.4
125.02311	48.7
127.03854	1.9
128.75803	0.5
131.02441	0.8
131.03374	12.4
143.03372	5.0
149.04448	13.8
155.03448	0.8
159.02817	0.7
161.04436	6.0
173.04468	1.0
179.03394	0.7
180.04161	1.3
183.04575	0.7
191.05550	10.4
195.06520	2.4
215.05545	0.9
218.40041	0.5
228.48431	0.6
232.96388	0.6
233.06638	42.5
234.06989	1.3
293.08792	37.2
294.09067	0.8
352.05408	0.6
417.14221	1.1
433.76254	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.0
58.00466	2.1
58.99957	1.1
59.01242	70.0
59.02397	1.1
60.61935	0.5
67.37292	0.4
69.03316	8.2
70.99541	1.2
71.01239	74.5
71.02763	1.1
72.99170	3.5
73.02808	13.2
75.00736	3.8
80.67233	0.4
81.03323	4.7
83.01245	6.5
85.02806	11.1
87.00272	0.5
87.00713	2.8
88.99909	1.1
89.02296	100.0
89.04404	1.5
90.02630	1.3
91.42575	0.5
95.01254	2.9
96.95868	2.1
97.02811	13.2
99.00735	17.9
99.04364	2.6
100.80967	0.5
101.02303	19.1
107.98837	0.7
108.02030	53.5
109.02817	1.8
110.05145	0.5
111.00743	2.4
113.02300	9.3
115.03875	8.3
117.01812	0.8
119.03364	1.7
123.00740	0.8
123.04394	9.7
124.98385	0.6
125.02315	48.9
125.05770	0.7
127.03884	2.0
131.03377	13.2
137.02301	0.6
143.03380	3.8
149.04443	15.0
153.01807	0.6
157.04997	0.5
159.02887	0.7
161.04492	4.7
165.05429	0.6
165.90546	0.5
167.03395	0.7
171.04428	0.5
173.04420	1.8
175.05949	1.1
179.03381	0.9
180.04129	0.9
191.05524	9.2
195.06541	3.2
215.05531	0.8
233.06639	41.3
234.06999	0.6
293.08804	42.2
294.09119	0.7
372.82742	0.6
417.13504	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	417.156
Annotation	(-)-syringaresinol
Peak:m/z	Relative Intensity
59.01009	0.6
59.01244	6.9
61.98692	1.4
84.34782	0.6
87.03042	0.6
87.43734	0.8
91.01735	1.3
107.20721	0.6
108.02033	1.4
109.02816	50.6
110.03209	0.6
114.74914	0.6
121.02901	0.9
130.04266	0.6
152.01054	1.2
153.01828	100.0
154.02116	1.8
167.03406	0.9
180.04189	2.2
189.66243	0.7
195.06595	4.5
233.11972	1.1
280.67651	0.7
376.17651	0.8
379.11929	0.8
417.15485	19.7
418.15781	1.0
431.26654	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93420	0.5
59.01244	7.0
61.98690	0.7
65.99708	3.9
67.01744	3.2
68.99678	0.9
69.03316	1.4
79.01745	1.8
80.78463	0.6
81.03316	17.2
87.04356	1.1
95.01244	7.8
97.02824	1.4
99.53632	0.7
107.01232	8.8
108.02030	6.6
109.02813	63.6
119.05058	0.7
121.02821	2.0
123.00742	9.0
125.02315	22.9
151.00259	67.9
152.01079	6.5
153.01825	100.0
154.02267	1.4
159.04395	1.1
180.04146	1.4
195.04959	0.9
195.06569	2.9
261.98837	0.9
275.09375	1.9
314.31229	0.8
357.13019	1.4
417.15112	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	417.1689
Annotation	Pongamone C
Peak:m/z	Relative Intensity
59.01239	7.5
59.22820	0.6
64.84184	0.7
69.03310	1.8
71.01244	3.8
71.04860	1.1
73.02805	14.3
77.19865	0.8
83.04860	0.9
85.47466	0.8
89.02292	1.1
91.72735	0.7
93.49792	0.9
99.04392	2.0
99.64070	1.6
101.02313	1.0
108.02029	1.1
109.02827	2.1
111.04375	1.2
117.06960	2.0
119.04900	2.5
122.03607	1.4
123.04416	4.8
124.90706	0.7
128.50720	0.7
132.05634	1.5
133.06483	2.5
134.03610	2.0
135.08035	6.0
136.05190	0.8
137.02306	1.0
137.05983	1.5
138.06673	0.8
153.09103	18.1
178.02596	1.5
180.04189	1.7
193.04997	2.4
193.12236	1.0
195.06573	3.1
205.12201	0.9
223.13409	2.1
233.11823	1.2
247.13431	1.3
257.19122	10.3
275.20139	3.7
289.14526	8.5
289.17505	1.5
290.15155	0.9
301.18118	4.1
307.15582	3.0
319.19141	13.4
320.19434	1.1
324.98853	0.8
337.20239	42.3
338.20474	2.9
345.16891	0.9
381.19211	94.7
382.19415	7.7
402.13034	0.9
417.16873	100.0
418.17316	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	417.1709
Annotation	Scandinone
Peak:m/z	Relative Intensity
52.12783	1.6
52.90250	1.6
56.15526	1.9
59.01239	12.5
79.07087	1.8
119.45689	2.4
120.95288	1.9
121.02829	2.6
121.06406	2.6
122.03622	3.7
130.04102	7.7
130.24403	2.0
131.04901	83.2
135.04391	3.1
143.04904	10.2
147.04405	2.9
148.05193	9.0
158.03572	3.0
159.04414	100.0
160.05220	11.9
173.02335	27.5
175.03854	4.4
183.84148	1.9
185.06020	7.1
186.06747	3.1
187.03932	63.7
188.04700	87.8
188.66556	2.4
189.05360	4.2
192.04236	6.6
195.06540	4.4
229.12299	33.6
229.14348	3.4
255.23462	2.3
373.18179	8.6
389.17581	3.5
417.17081	78.7
417.22366	4.2
418.17105	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.7
58.00463	1.2
59.00010	1.7
59.01241	100.0
59.02302	1.2
60.01569	0.8
61.98711	0.5
64.30213	0.4
69.03312	1.2
70.99628	0.9
71.01238	62.5
71.02663	0.9
71.04877	20.4
72.01601	0.6
72.99167	2.2
73.02798	9.1
75.00742	1.0
81.03311	8.4
83.01237	5.8
83.04877	1.7
84.02010	0.9
85.02805	18.5
87.00730	2.3
89.00060	1.0
89.02296	58.8
90.02628	0.7
93.03304	0.6
95.01237	3.9
95.04879	0.8
97.02808	7.9
97.06438	1.0
99.00745	3.5
99.04365	4.4
100.99611	0.5
101.02303	40.9
107.04893	0.5
111.04386	0.9
113.02303	24.9
113.05931	1.6
115.00525	1.2
115.03872	98.7
116.04196	1.4
119.03368	24.2
119.29241	0.4
123.04404	0.8
125.02317	1.7
126.03115	1.8
131.03334	2.2
135.08032	1.2
137.09598	1.9
139.11156	5.3
143.03383	3.8
149.04446	1.1
153.09077	2.9
157.04973	0.6
159.02887	1.5
160.05113	0.4
161.03165	0.7
161.04448	9.6
163.11124	0.9
165.12700	0.9
175.14851	3.2
179.05490	4.2
181.12199	1.2
191.14322	2.3
193.15907	26.2
194.16293	0.6
209.15404	0.6
219.13811	0.7
232.72159	0.4
237.14929	23.1
238.15198	0.7
239.16400	0.8
255.16020	12.7
256.16351	0.7
257.19052	1.3
261.48618	0.4
275.20221	0.5
289.14243	0.9
297.17087	5.1
301.18085	0.8
319.19058	2.5
337.20178	5.9
339.18161	0.6
381.19180	14.7
382.19360	1.1
417.16589	13.2
417.21243	16.0
417.27780	3.3
418.16925	1.0
418.21826	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67244	0.3
57.03314	1.6
57.17778	0.4
58.00464	1.6
59.01243	93.9
59.02422	1.7
60.01577	0.8
62.31578	0.3
69.03315	1.1
70.84335	0.4
71.01241	56.4
71.02798	0.8
71.04879	19.7
71.06507	0.4
71.21918	0.3
72.99183	1.8
73.02809	6.7
75.00737	0.4
75.58389	0.4
79.92937	0.3
80.02510	0.4
81.03316	7.4
83.01247	5.7
83.04896	1.3
84.01993	0.7
85.02289	0.8
85.02806	16.4
87.00742	1.8
89.02299	49.0
89.04536	0.7
90.02653	0.7
91.14869	0.4
94.17504	0.3
95.01244	4.0
96.30929	0.4
97.02808	6.7
97.06435	0.4
97.87437	0.4
99.00742	2.9
99.04386	3.5
100.99339	0.4
101.02306	38.7
102.02640	0.4
113.02311	25.2
113.05965	0.7
115.03876	100.0
115.07186	1.1
116.04228	1.4
119.03371	22.0
125.02326	1.4
126.03085	1.7
131.03363	2.1
137.09605	2.2
137.16217	0.4
139.03938	0.5
139.11171	4.7
143.03394	3.0
149.04445	1.1
157.04979	0.5
159.02905	1.8
161.03181	0.5
161.04460	8.8
163.11160	0.9
165.12827	0.6
168.02559	0.3
175.14836	3.0
179.05536	2.5
181.12268	1.5
191.14378	1.6
193.15915	25.9
194.16222	0.8
209.15373	0.5
219.13913	1.4
237.14938	25.8
238.15317	0.9
255.16022	12.5
256.16476	0.6
288.99332	0.4
297.17026	3.3
417.21344	12.7
418.21759	0.8
421.05078	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95597	0.6
57.03314	2.2
58.00462	1.9
59.01243	100.0
59.02452	1.4
60.01595	0.6
61.69159	0.5
65.03796	0.5
69.03320	1.3
70.25914	0.5
71.01241	66.4
71.02857	0.8
71.04881	19.6
71.05277	0.9
71.14574	0.5
72.01585	0.8
72.99168	2.0
73.02802	8.9
75.00719	0.8
80.02549	0.8
81.03313	7.7
83.01254	5.4
83.04882	1.2
85.02811	17.8
86.73072	0.6
87.00733	2.6
87.96195	0.5
89.02299	59.5
89.04587	1.0
95.01260	4.4
95.04900	0.7
97.02800	8.1
97.06453	1.4
99.00726	3.6
99.04367	3.2
101.02305	41.6
101.05122	0.7
102.02634	0.7
113.02312	28.4
113.05988	0.9
115.03876	99.9
115.07183	1.3
116.04199	1.6
119.03368	26.1
121.51357	0.7
125.02302	1.4
126.03091	2.0
131.03375	2.2
135.08023	0.6
137.09554	2.1
139.03864	0.7
139.11159	4.8
142.95557	0.6
143.03397	3.3
143.22322	0.6
149.04396	1.6
153.09126	1.7
157.04953	1.0
159.02869	1.7
161.04446	11.5
175.14819	3.6
179.05531	4.8
181.12276	0.9
191.14331	2.5
193.15910	31.3
194.16280	1.5
209.15433	0.7
219.13799	1.8
237.14925	25.9
238.15161	1.5
239.16515	1.1
255.16010	15.6
289.14404	1.0
297.17099	5.2
308.66086	0.6
319.19235	1.0
337.20282	3.8
337.70560	0.8
381.19202	9.2
417.16629	7.5
417.21198	21.3
417.27768	2.0
418.21622	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	3.2
57.05837	1.1
59.01243	100.0
59.02386	1.5
61.98694	2.4
71.01247	2.6
71.04917	1.4
75.56085	1.2
78.89561	1.1
82.09876	1.4
88.03918	1.9
89.02310	3.2
91.03860	2.3
91.72694	2.6
96.32574	1.4
101.02293	1.6
113.02370	1.8
113.03379	1.9
113.09573	2.1
115.03838	2.8
117.03332	10.1
118.03548	1.5
119.04904	10.7
120.05240	3.7
121.02769	3.2
127.11214	1.4
128.03409	2.8
131.04491	3.6
131.05446	1.3
132.02902	4.1
137.02335	2.0
143.04477	2.3
145.02849	19.7
146.03152	6.0
146.04320	1.5
158.57103	1.3
163.03877	6.1
171.98373	1.4
172.23357	1.5
173.04504	3.5
219.81601	1.3
221.19064	56.8
222.19530	1.8
239.20116	2.3
255.83951	1.4
265.18103	40.0
266.18344	2.0
283.19147	60.5
284.19370	1.5
284.23105	2.2
293.36166	1.4
301.20236	6.1
306.07565	1.6
325.20279	30.1
325.24094	1.2
326.20538	2.2
338.35568	1.5
343.21262	79.1
344.21552	2.9
357.22748	7.4
380.52435	1.5
416.28101	3.7
417.24744	72.1
418.24933	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	417.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	4.1
57.03559	1.0
59.00037	1.5
59.01244	100.0
61.98685	3.2
71.01226	2.5
83.04900	2.1
87.00726	1.4
89.02309	1.9
101.02320	1.4
102.05473	1.3
108.02047	1.3
109.02763	1.5
113.03392	1.3
113.09569	2.9
117.03325	7.8
118.03624	1.6
119.04917	8.2
120.05240	1.5
121.02789	2.6
124.24913	1.4
131.04488	3.4
132.02873	3.6
137.30093	1.2
145.02847	15.2
146.03183	2.7
151.59160	1.7
162.03282	1.6
163.03860	4.0
173.04414	2.8
178.54056	1.3
193.15869	1.8
198.03831	1.3
221.19067	62.6
222.19408	2.1
265.18091	44.2
266.18387	2.4
283.19156	74.0
284.19531	3.0
284.23010	2.1
301.20236	6.5
325.20239	27.5
326.20483	2.7
329.23239	1.8
343.21274	90.5
344.21564	4.4
357.23004	7.9
375.24072	1.7
416.28192	2.5
417.24832	84.5
418.25171	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	417.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02067	0.4
50.58140	0.6
53.38899	0.2
57.39821	1.0
62.76531	0.3
63.25492	0.3
68.10180	0.3
84.81718	0.3
88.12856	0.4
93.03340	0.4
93.82863	0.3
105.03339	0.4
116.16829	0.3
117.03328	30.5
118.04134	8.7
119.04894	35.0
119.08521	0.4
120.05215	0.5
121.02819	7.8
123.04382	2.1
133.02823	2.5
134.03632	0.7
145.02837	62.2
146.03188	1.5
162.03134	3.5
163.03905	14.4
164.04250	0.3
215.22191	0.3
253.35025	0.3
278.79999	0.3
416.25540	0.4
417.26483	100.0
418.26767	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	417.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02062	0.4
50.58146	0.5
50.58341	0.2
57.39821	0.8
57.40118	0.5
59.01216	0.2
62.25153	0.2
88.12852	0.3
93.03275	0.4
108.62615	0.3
117.00049	0.4
117.03326	26.9
118.04124	8.0
119.04892	32.6
120.05243	0.7
121.02812	7.8
123.04382	2.6
133.02815	1.6
134.03596	0.7
141.83023	0.3
144.98262	0.7
145.02832	57.9
146.03198	1.3
162.03127	3.5
163.03902	15.2
174.25159	0.3
184.89609	0.3
245.46964	0.3
319.64163	0.3
335.18051	0.3
335.22153	0.3
373.27353	0.5
416.25031	0.6
417.26474	100.0
418.26852	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	417.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02062	0.4
50.58146	0.5
50.58341	0.2
57.39821	0.8
57.40118	0.5
59.01216	0.2
62.25153	0.2
88.12852	0.3
93.03275	0.4
108.62615	0.3
117.00049	0.4
117.03326	26.9
118.04124	8.0
119.04892	32.6
120.05243	0.7
121.02812	7.8
123.04382	2.6
133.02815	1.6
134.03596	0.7
141.83023	0.3
144.98262	0.7
145.02832	57.9
146.03198	1.3
162.03127	3.5
163.03902	15.2
174.25159	0.3
184.89609	0.3
245.46964	0.3
319.64163	0.3
335.18051	0.3
335.22153	0.3
373.27353	0.5
416.25031	0.6
417.26474	100.0
418.26852	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	417.2649
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
55.86831	1.0
59.01229	3.9
64.85582	0.8
64.92828	0.8
82.71595	0.8
85.22257	1.0
87.34278	1.0
103.94822	0.9
112.00340	0.9
114.68492	1.0
117.03320	17.6
119.04874	7.9
121.02812	1.2
125.46101	1.1
145.02837	100.0
146.03146	1.3
163.03897	5.8
206.35121	1.0
208.86221	1.4
247.11925	1.0
262.66489	0.9
271.22794	8.1
275.03613	1.0
317.46039	1.3
417.26501	33.1
418.27036	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	417.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64828	0.8
51.75537	0.8
53.58106	0.8
59.01240	35.3
59.14616	0.9
60.01589	0.7
60.02042	0.8
61.98679	0.8
71.01244	6.1
73.02797	2.9
74.13251	1.0
85.02815	1.5
87.26501	1.0
89.02284	3.8
91.80405	0.9
93.03310	1.9
101.02293	3.8
104.85770	1.0
109.25140	1.0
113.02290	2.2
119.04878	1.9
137.02341	1.3
139.11110	1.1
145.02779	1.1
150.03096	2.1
150.13437	1.1
150.63272	1.0
153.09082	1.8
164.57346	1.0
173.04492	2.7
176.04828	1.0
193.94537	1.0
206.05795	1.8
211.13342	3.9
212.13724	3.0
213.13872	2.2
221.08200	2.4
242.98587	1.0
312.06195	1.0
337.20361	2.1
339.30206	2.1
357.13574	3.4
375.20102	2.2
381.18930	4.9
383.29160	1.8
417.16541	11.2
417.21832	3.7
417.27975	100.0
418.28345	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	417.3014
Annotation	Maesaquinone
Peak:m/z	Relative Intensity
55.94380	0.3
59.01223	0.8
60.04560	0.3
71.01208	0.4
81.06597	0.7
81.07069	0.6
85.06445	0.4
91.78391	0.3
92.02503	1.2
95.01183	0.5
96.10651	0.3
106.04113	3.5
107.04854	1.0
108.02003	0.7
109.37397	0.3
113.09557	0.6
117.03321	0.4
119.04887	7.4
119.16508	0.3
121.02026	0.5
121.02831	6.2
125.84583	0.3
126.68844	0.4
127.11151	0.4
133.06465	2.4
137.02289	0.4
138.61028	0.3
139.24290	0.5
145.02728	0.4
161.09598	0.7
167.00320	0.3
175.11127	1.2
189.12796	1.1
203.14339	1.1
217.15967	0.4
217.43933	0.4
219.95520	0.3
231.17526	1.0
233.15521	0.7
247.20709	0.9
259.20679	47.6
260.21094	1.9
273.22141	0.7
275.17233	0.6
275.20193	10.0
276.20404	0.5
287.23798	6.9
301.21552	0.4
303.23309	2.0
315.26999	1.0
327.27023	1.8
343.30206	0.9
345.27863	1.9
355.30093	30.9
356.30472	1.3
371.26117	0.5
371.29791	3.8
373.31171	14.7
374.31210	0.5
377.16071	0.4
381.09146	0.4
417.30222	100.0
418.30499	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	417.3014
Annotation	seco-plakortolide K
Peak:m/z	Relative Intensity
59.01240	2.7
75.63754	1.1
90.70856	1.1
93.03324	2.1
94.00121	1.4
95.04887	4.0
107.04887	4.7
108.02026	7.5
108.05244	2.0
111.07948	1.2
119.04930	3.7
121.02821	17.3
122.03598	3.1
145.02859	1.3
147.76147	1.3
152.01091	1.5
162.83846	2.4
166.09061	1.5
175.29086	1.2
176.00734	1.3
180.44424	1.3
191.81673	1.5
251.23659	1.9
255.23189	6.1
266.17520	1.4
275.23740	16.0
277.21719	1.7
288.24207	2.0
313.25360	2.2
319.22946	2.1
329.28482	29.8
332.22940	1.8
357.24365	3.2
372.30399	7.0
373.31174	64.9
374.31607	5.2
416.29196	1.8
417.30090	100.0
418.30475	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	419.1019
Annotation	Bismurrayaquinone A
Peak:m/z	Relative Intensity
51.19665	1.0
59.00965	1.4
59.01239	11.1
61.98697	11.8
67.18824	1.0
71.01241	6.1
73.02802	1.6
74.98956	6.8
78.08434	1.1
79.44409	1.1
83.04844	1.4
85.02816	2.8
85.39377	1.2
89.02282	3.8
97.18919	1.1
99.00716	1.7
101.02291	4.4
102.98452	1.6
109.02827	1.9
110.02325	3.0
113.02285	2.5
120.99519	100.0
125.02329	1.8
149.05986	2.0
153.01865	1.6
161.04482	7.9
167.03391	3.0
169.03200	17.9
179.05569	1.4
184.09737	1.9
187.23029	1.2
195.03246	1.6
257.04910	8.7
358.62830	1.4
419.10141	74.1
420.10510	5.6
424.36118	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41317	0.6
52.69937	0.6
53.94759	0.7
58.99463	13.9
59.00972	0.9
59.01242	10.9
68.28281	0.7
71.01239	9.3
73.02795	3.0
74.78808	0.7
74.98965	1.4
75.00732	1.4
83.01237	1.1
85.02794	5.8
85.45889	0.9
87.00730	15.3
89.02316	5.5
93.45274	0.7
96.95883	2.1
99.00755	1.8
101.02294	6.8
102.98453	100.0
103.01248	1.5
103.16940	0.8
103.98827	0.8
113.02303	5.1
119.03360	1.9
120.99522	1.9
125.02291	1.0
143.03467	0.9
149.05862	1.2
153.00049	15.8
154.00818	8.7
159.02972	1.0
159.94360	0.9
161.04439	5.8
163.99478	0.8
169.03177	12.4
173.04471	0.9
179.05519	1.1
182.01086	0.8
189.42902	0.8
191.05429	0.9
197.08281	0.8
205.07098	1.5
249.06117	7.9
283.04947	98.3
284.05240	3.0
339.06827	1.0
419.07986	3.9
419.14453	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	419.1349
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
50.91319	0.2
53.33376	0.2
57.03313	0.3
59.00975	0.3
59.01245	4.5
59.02543	0.2
63.15089	0.3
65.03829	0.4
66.60086	0.2
71.01242	3.3
72.61552	0.7
72.61967	0.5
73.02789	0.8
73.62436	0.3
81.03304	0.7
83.01237	0.8
83.04872	0.3
85.02812	1.7
87.00753	0.3
89.02309	1.5
93.03320	3.3
95.01215	0.5
95.04894	0.5
97.02802	0.4
99.00728	0.3
101.02304	2.2
106.04107	12.7
107.04892	21.9
107.07948	0.3
108.02013	1.5
108.05210	0.3
109.02793	0.4
113.02305	1.1
114.61713	0.2
119.03360	0.5
119.04894	1.9
121.02825	2.5
123.04348	0.6
125.02290	0.6
133.18523	0.2
137.02310	0.4
137.06020	0.4
138.03078	0.4
150.03116	1.1
151.03934	1.4
160.05197	0.5
160.20468	0.2
164.23193	0.3
167.03403	1.6
171.08189	0.5
175.07510	0.3
179.03375	0.4
182.02130	0.4
195.08084	0.4
209.04446	0.4
211.07602	9.9
212.08038	0.4
213.01405	0.6
213.09160	63.5
214.09476	2.3
221.04477	0.2
221.08061	0.4
257.08197	8.7
267.10388	0.3
299.09143	0.4
315.08813	3.2
329.13965	0.9
345.09738	1.1
390.44077	0.2
419.13516	100.0
419.38034	0.7
420.13843	5.8
437.54089	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1502
Annotation	Ficusin B
Peak:m/z	Relative Intensity
51.34848	0.3
53.09468	0.4
53.42890	0.3
57.06915	0.4
58.19487	0.3
59.01230	1.5
59.33821	0.3
68.48159	0.4
78.95759	0.8
83.17156	0.4
101.19524	1.0
101.20092	0.8
123.04397	5.0
147.04333	0.5
152.99486	1.0
153.01813	0.8
159.04385	0.6
184.05191	0.5
186.06691	0.5
195.04326	0.5
195.07977	0.5
197.06012	1.3
199.07674	0.6
201.92140	0.5
225.05501	1.0
230.85115	0.4
239.07220	0.7
249.09157	0.6
257.10345	0.5
263.07022	0.7
264.07605	0.5
267.10245	1.0
277.08694	3.0
278.09561	0.7
279.10336	0.7
282.08984	1.6
291.07059	0.7
291.10315	1.3
292.07318	0.6
293.08179	0.6
301.08725	0.7
303.10135	0.8
305.08234	1.8
306.08984	1.0
307.09857	1.0
309.84558	0.5
319.09763	5.7
320.10583	5.4
321.11307	0.6
331.09729	1.1
333.07690	0.8
347.09299	1.4
347.13010	0.5
348.09964	4.9
348.13812	1.1
363.16019	8.3
364.16006	0.7
373.14603	0.9
391.15567	49.1
392.15891	3.0
401.13867	1.0
419.15039	100.0
420.15424	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	419.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06901	1.4
50.07123	0.7
53.97548	0.5
56.18126	0.3
57.66035	0.3
59.01252	0.4
70.34808	0.3
72.54140	0.3
81.17809	0.3
99.92439	22.4
100.92542	0.8
100.93227	2.3
115.91948	7.7
116.89360	1.4
116.92722	100.0
117.92735	2.7
117.93481	0.6
121.02816	1.4
174.75020	0.4
201.97215	4.9
205.96698	4.7
218.97458	1.0
219.98239	4.7
221.96234	1.7
237.95686	2.6
245.96228	5.1
250.96568	0.6
259.97595	0.4
272.67227	0.4
275.23764	1.4
287.20209	0.9
289.21765	1.6
314.09918	0.4
315.19669	1.6
317.21225	1.6
357.15369	1.4
371.13040	0.6
375.16434	14.3
376.16498	1.6
387.12552	0.6
389.09415	0.6
389.14270	7.5
390.14392	0.9
401.14221	2.9
402.14850	1.1
403.12146	1.0
407.15421	1.0
415.12128	0.6
419.15353	64.2
420.15546	7.3
433.13229	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	419.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54900	0.6
55.01762	0.6
58.55224	0.7
58.99994	1.5
59.01242	100.0
59.02365	1.4
60.01554	0.6
71.01242	11.5
72.99175	2.6
73.02805	11.1
73.59107	0.6
75.00754	0.7
79.95586	0.9
80.99689	1.4
84.92128	0.6
87.00738	1.7
88.98693	0.7
89.02309	5.3
93.20658	0.7
96.95867	33.9
99.00733	6.6
101.02337	2.2
103.00295	0.9
109.02820	1.1
112.98652	2.5
113.02337	1.9
115.00234	7.5
115.44205	0.7
119.03377	1.2
121.02869	1.5
122.03603	8.4
124.98719	1.0
125.02325	3.0
133.01343	0.9
134.03696	0.8
137.02350	2.7
139.03946	1.1
142.99734	1.6
149.00935	0.9
149.06044	2.4
155.39857	0.7
161.04497	3.2
165.01828	1.1
167.03369	1.0
177.01961	0.7
179.07114	1.4
182.04126	0.6
182.05745	20.8
182.07341	1.2
183.06302	0.9
197.08124	60.6
198.08542	1.8
204.99841	35.9
206.00197	1.6
223.00946	3.9
227.01448	0.8
280.98923	3.1
287.82480	2.0
305.06717	6.1
359.13562	0.8
369.04547	0.9
419.02304	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	419.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29385	0.3
54.44929	0.3
56.48473	0.4
58.99884	0.8
59.01241	100.0
59.02416	1.9
60.01577	0.4
66.53656	0.4
71.01247	1.6
73.02805	0.7
78.82333	0.3
80.02007	0.3
85.02804	0.7
90.65002	0.4
96.95884	1.7
101.02285	0.8
113.02309	1.0
121.02810	1.0
122.03604	8.9
128.03398	1.4
133.94176	0.4
136.01535	0.7
143.04494	1.4
148.62605	0.4
148.91707	0.4
154.02577	0.4
161.04449	2.5
182.05757	22.9
197.08121	69.8
198.08398	2.0
272.08926	0.5
287.82336	1.6
306.07581	2.1
359.13522	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.1
58.00471	1.1
59.00058	1.7
59.01242	100.0
66.41209	0.6
68.39583	0.6
70.17730	0.7
70.99696	1.0
71.01239	45.2
71.99205	0.7
72.99169	1.9
73.02818	2.3
83.01246	2.5
84.81557	0.7
85.02805	8.2
85.43250	0.6
87.00743	3.1
89.00144	1.0
89.02295	73.3
91.73338	1.3
94.27721	0.7
95.01260	2.7
101.02304	28.6
101.02950	1.6
102.02650	0.7
113.02311	23.8
119.03373	32.3
121.02890	0.7
122.03632	1.2
125.02336	1.6
127.80250	0.9
128.99931	0.6
131.03415	2.3
143.03378	5.7
146.03616	17.5
146.04681	1.0
149.04463	3.4
161.04503	6.7
161.06009	6.7
161.57024	0.7
163.03912	1.0
164.04694	14.3
179.00970	0.7
179.05563	19.6
179.07115	50.9
180.07405	1.7
182.05843	3.0
195.25043	0.7
197.08141	6.7
208.84801	0.8
225.97243	0.8
285.50711	0.7
295.84052	0.8
325.27008	0.9
336.43008	0.8
359.13516	15.4
412.35986	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1867
Annotation	burttinonedehydrate
Peak:m/z	Relative Intensity
59.01234	2.6
86.60162	1.3
86.60597	0.7
102.41412	0.7
109.02735	0.7
242.56955	0.7
247.07640	2.3
248.04854	1.9
249.05556	0.9
262.06342	0.8
263.07147	7.6
273.05518	2.0
274.06174	0.7
276.04327	1.5
277.05014	3.9
278.05722	0.8
291.06653	50.9
292.07425	26.1
293.07925	1.3
304.03848	2.7
315.06760	1.6
318.05389	1.2
320.10532	2.2
334.12103	9.4
335.12991	2.4
347.09232	1.0
347.12930	1.8
352.09454	3.0
358.12180	2.1
359.12531	1.0
361.10849	1.9
366.11139	12.5
367.11377	1.2
376.13199	13.3
377.13971	1.0
401.17715	1.4
404.16409	2.2
419.18683	100.0
420.19070	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	419.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97329	0.5
55.01749	0.8
55.41124	0.5
56.13272	0.6
56.24800	0.5
58.00467	0.6
59.00010	1.1
59.01242	74.2
59.02353	1.2
59.02606	0.8
61.98691	2.3
67.13670	0.6
69.03310	1.2
70.99599	0.6
71.01239	47.6
72.01586	0.5
72.99164	1.6
73.02805	18.1
83.01252	1.5
83.97728	0.6
85.02819	6.8
87.00738	2.2
88.83114	0.6
89.00021	1.5
89.02296	100.0
95.01223	1.5
97.02814	2.1
99.00086	1.3
99.00735	28.4
101.02301	32.7
106.83362	0.6
110.15485	0.5
113.02316	9.0
115.03913	0.7
119.03365	8.2
123.90262	0.6
124.72316	0.5
125.02320	5.7
131.03374	18.7
136.89249	0.6
143.03398	2.2
148.99380	0.8
149.04442	57.7
150.04761	0.8
151.30116	0.6
161.04439	3.2
168.07983	0.6
171.10144	0.8
179.05495	2.7
182.05733	0.6
183.10109	0.6
191.05536	15.3
192.05882	0.9
197.08104	2.1
206.39041	0.6
213.73793	0.6
221.06671	2.0
227.03458	0.9
233.06563	1.5
235.94016	0.6
237.62968	0.6
243.80141	0.7
251.07780	4.0
285.03577	0.7
286.03705	0.7
293.08627	0.9
327.21518	0.7
345.22742	2.0
364.97742	0.8
419.18951	9.9
419.23343	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22407	0.4
56.99688	0.5
57.03313	0.5
57.36133	0.5
58.00467	1.4
59.00023	1.4
59.01241	79.3
59.64594	0.5
59.97805	0.4
61.98699	1.3
69.03311	1.1
70.99648	0.9
71.01238	49.0
71.10542	0.6
72.99161	1.5
73.02804	18.5
75.00764	0.6
83.01244	1.7
85.02795	5.8
87.00739	1.3
89.00035	1.6
89.02296	100.0
90.02624	1.1
95.01228	1.6
96.95886	0.8
97.02823	1.8
99.00085	1.3
99.00735	27.7
99.04388	0.6
101.02299	34.6
113.02306	11.2
119.03371	8.1
125.02306	5.1
125.09630	0.7
131.02437	1.1
131.03377	17.2
140.42378	0.7
143.03368	1.8
149.04442	54.1
150.04865	0.5
161.04468	2.9
171.10300	0.7
179.05501	2.4
182.05821	0.8
191.05539	14.1
197.08188	1.3
221.06650	3.0
233.06544	1.0
251.07718	4.2
268.86652	0.6
275.07764	0.7
293.08624	0.8
311.09674	0.8
345.22504	1.4
362.70044	0.6
375.20471	0.8
411.27832	0.7
413.60193	0.7
419.08304	0.9
419.18988	8.9
420.19479	1.2
427.28229	0.6
429.27063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.4
58.83591	0.2
59.00182	0.8
59.01242	63.7
59.02475	1.1
60.01584	0.7
68.00581	0.2
76.30898	0.2
109.06401	0.2
149.78906	0.2
162.06830	1.0
227.17967	0.3
235.14899	0.3
237.16426	1.2
251.14409	0.7
251.18195	0.3
253.15941	5.0
253.18852	0.3
253.19733	0.4
254.16539	0.4
255.17525	1.3
262.28726	0.3
267.17471	0.3
269.15707	0.5
269.19131	3.0
271.20670	3.2
277.70233	0.3
295.20752	0.4
297.18604	6.9
298.18930	0.6
315.19656	4.8
316.20032	0.3
333.20740	9.6
333.24814	0.5
333.37698	0.2
334.21078	0.7
336.38757	0.3
357.20813	1.5
375.21783	100.0
375.41623	0.8
376.22107	10.3
419.20688	1.4
420.07828	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68274	0.2
57.03310	0.7
59.00070	1.6
59.01241	84.6
59.02599	0.6
60.01570	0.9
83.04870	0.4
108.61002	0.2
109.06460	0.7
119.08569	0.3
121.06485	0.4
149.05945	0.3
162.06836	1.1
211.15050	0.4
216.29726	0.2
237.16452	0.6
251.18031	0.6
253.15938	2.1
253.19661	0.6
254.16609	0.3
255.17566	0.6
267.17542	0.9
269.19122	7.0
270.19461	0.7
271.20660	5.2
272.21060	0.3
284.81992	0.3
285.18362	0.3
297.18591	15.5
298.18921	1.1
315.19666	8.8
316.20120	0.6
333.20718	12.6
334.21033	1.0
357.20715	2.3
359.14996	0.3
375.21777	100.0
376.22122	8.4
419.20917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30100	0.4
57.03317	0.7
58.99978	1.7
59.01242	100.0
59.02332	1.4
60.01582	0.7
61.98689	0.6
71.01254	0.8
73.02797	0.5
89.02323	0.6
91.72696	0.6
93.03313	0.7
115.03824	0.5
119.03371	0.6
157.64404	0.6
161.04451	0.6
162.06944	2.2
175.07785	0.4
197.08148	1.1
253.16080	1.2
255.17705	0.5
269.19141	4.4
271.20728	3.0
285.20737	8.2
297.18631	10.1
298.18982	0.7
315.19711	5.8
324.23965	0.5
333.20691	4.3
357.20758	7.2
358.21060	0.6
375.21780	78.3
376.22058	5.5
419.15762	0.5
419.21420	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.4
58.00463	0.3
59.01250	1.5
64.56490	0.2
69.03326	0.3
69.08018	0.2
71.04881	1.0
75.67886	0.2
82.44701	0.2
83.04882	0.8
85.06454	0.2
89.97651	0.4
91.03859	0.5
92.24180	0.3
94.88631	0.5
94.89243	0.5
97.06451	1.0
97.64940	0.3
101.74981	0.3
108.02580	0.2
111.08008	0.4
123.08007	0.8
125.09587	3.3
127.11156	2.1
137.09581	1.1
139.11166	3.3
141.12758	0.6
142.69063	0.3
143.10663	0.4
143.23483	0.2
145.50133	0.3
152.01051	0.3
153.01799	0.4
153.12732	0.9
155.10641	2.0
155.14317	0.3
157.12206	0.3
165.12805	0.2
167.14391	0.4
169.12160	0.2
171.10178	3.1
177.16385	0.7
183.10236	0.8
193.15981	0.3
194.46182	0.2
199.09663	0.3
199.29330	0.2
201.11215	1.5
225.22246	0.3
235.20540	0.3
245.19160	0.4
247.20659	19.0
248.21056	0.8
253.21808	1.1
263.20087	1.1
265.21735	15.3
266.22067	0.7
273.18536	1.8
280.03070	0.2
281.21259	1.1
283.22800	2.1
284.22876	0.3
289.18558	0.3
290.32904	0.2
291.19672	9.4
292.20041	0.6
299.22318	0.4
301.23755	1.6
309.20731	26.1
310.21106	1.4
327.21786	56.9
328.22159	2.8
343.21008	0.3
345.22827	99.9
346.23154	4.9
419.26535	100.0
420.26874	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	419.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10413	0.4
50.66626	0.5
53.02703	0.2
57.50076	1.0
57.50354	0.6
66.64725	0.2
82.33613	0.3
87.97538	0.3
93.03298	0.4
96.09406	0.3
99.47469	0.3
117.03328	21.7
118.04114	8.5
119.01522	0.5
119.04892	31.4
120.05202	0.3
121.02821	7.5
123.04341	1.6
133.02809	1.9
134.03612	0.8
145.02834	49.7
145.07890	0.5
146.03207	0.4
162.03139	2.9
163.03911	13.6
175.18913	0.3
248.21109	0.3
339.75821	0.4
408.94196	0.3
419.28073	100.0
420.28375	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	419.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10417	0.6
50.66627	0.5
55.18092	0.3
57.50089	0.9
57.59147	0.3
63.13652	0.3
86.06274	0.3
91.72744	0.8
93.03262	0.5
117.03328	27.5
118.04134	9.2
119.04895	35.0
120.05179	0.7
121.02008	0.7
121.02820	9.0
123.04359	2.0
126.90634	0.4
133.02800	2.1
134.03580	0.8
138.61174	0.4
145.02837	52.9
146.03159	1.5
162.03104	3.7
163.03908	14.0
168.60310	0.4
210.33243	0.4
299.58865	0.4
369.10522	0.4
375.29187	0.4
419.28070	100.0
420.28433	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	419.2808
Annotation	Diacarperoxide G
Peak:m/z	Relative Intensity
57.03305	2.5
59.01244	2.7
66.86735	0.5
69.95934	0.5
75.96941	0.4
76.84425	0.5
78.65884	0.5
80.10583	0.4
81.24860	0.5
81.68178	0.5
94.60442	1.1
94.61053	1.1
104.31092	0.5
106.04093	3.4
107.04904	1.0
108.02023	0.6
111.08012	2.1
111.82355	0.5
119.04897	8.4
121.02804	5.8
127.11151	9.5
133.06447	2.5
143.61765	0.6
145.02827	0.6
189.12787	0.6
197.08173	1.0
203.14360	11.5
215.14340	8.0
219.13864	1.5
229.15990	1.5
231.17502	24.6
232.17857	1.4
233.40668	0.6
245.44858	0.6
261.18634	1.3
273.18585	0.7
275.20169	1.2
299.23831	1.6
317.24921	0.6
325.25519	1.8
343.26434	84.6
344.26721	7.1
361.23917	3.8
387.25449	15.9
388.25720	1.1
419.28073	100.0
420.28406	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	419.2806
Annotation	Diacarperoxide G
Peak:m/z	Relative Intensity
57.03303	1.4
59.01242	5.4
60.02169	0.7
66.97677	0.7
70.67322	0.7
72.95881	0.7
81.03318	9.3
83.04861	1.2
94.60435	1.6
94.60971	1.2
95.04884	1.0
99.08008	9.1
104.43370	0.8
106.04091	2.5
107.04868	1.1
108.02095	0.8
119.04885	9.4
121.02820	6.5
123.04403	0.8
133.06468	2.1
137.02322	1.0
145.02832	1.3
197.08202	1.1
203.14360	1.2
209.36412	0.8
211.73421	0.8
217.16057	1.1
219.13821	2.6
231.17538	9.5
243.17546	5.5
245.19058	3.8
247.17096	1.1
257.19031	1.2
259.20673	11.2
260.21094	1.5
273.18616	2.9
273.22153	1.2
275.20291	1.0
289.21786	8.0
290.22238	1.2
292.45370	0.9
299.23727	6.1
301.21747	2.5
301.25024	0.9
313.25467	1.7
317.24792	4.4
325.25339	2.3
343.26434	82.8
344.26767	7.5
351.97058	0.9
361.23865	15.8
361.28186	1.2
362.24063	1.5
387.25470	15.2
388.25641	1.7
401.23376	2.2
419.28076	100.0
420.28433	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	420.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32571	0.2
59.01240	1.5
61.97268	1.2
61.98693	100.0
61.99968	1.8
62.44415	0.2
67.21907	0.1
70.66327	0.2
71.01274	0.2
72.99168	4.7
78.78342	0.2
82.89089	0.1
85.01318	0.2
99.08034	0.2
109.02810	6.4
110.03181	0.4
110.50343	0.2
119.04935	0.3
121.02816	0.3
125.02381	0.3
129.85965	0.2
134.03658	0.2
135.04387	0.2
146.03624	0.2
147.04381	3.1
148.07413	0.2
151.11215	0.2
158.03691	0.5
159.04414	8.5
160.04755	0.4
189.09204	0.3
213.12796	0.2
227.03957	0.2
231.13943	0.3
241.57085	0.2
243.13945	0.5
251.07114	0.2
259.13507	0.3
267.06726	0.3
269.08234	4.1
270.08768	0.3
271.13565	0.3
287.12921	0.3
303.12485	0.5
313.07321	0.5
321.13589	0.5
331.11874	0.3
357.06406	0.5
365.12415	0.2
377.06320	0.2
377.10593	0.4
419.23041	0.4
420.06058	0.5
421.06036	0.5
421.11240	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37447	0.8
50.46331	1.3
58.02839	10.3
59.01232	3.2
61.98687	7.2
62.49018	0.7
66.03353	1.2
68.55550	0.8
70.02835	1.9
72.00749	1.7
73.13372	0.8
74.02328	24.6
79.94281	0.7
82.02839	2.6
82.52345	0.8
84.04393	1.2
86.02324	10.3
86.05960	2.7
87.05505	6.6
88.03905	1.1
90.00049	2.1
93.56231	0.7
97.03932	3.6
99.04850	1.5
99.05499	28.2
101.02300	2.2
101.07057	3.9
102.05454	3.9
103.99344	1.0
107.06034	1.4
109.03954	4.2
109.07582	2.0
110.57037	1.0
111.05515	1.6
112.03912	3.8
116.01614	1.2
120.01112	2.0
123.05490	3.0
124.03904	2.1
125.03387	1.5
127.05003	3.6
128.03407	67.9
135.05511	7.3
137.07085	2.2
139.05165	0.9
141.06604	4.7
143.00189	1.7
143.04504	100.0
144.04852	2.4
145.06070	4.2
146.04456	7.6
147.04730	2.9
149.07050	1.5
153.06555	6.8
155.08131	2.4
160.00638	16.9
166.09799	4.8
167.04533	4.8
167.08177	3.7
170.03258	1.7
171.04013	0.9
177.03308	7.8
179.04526	21.4
180.07664	1.2
181.06088	3.1
184.10776	1.5
185.05612	4.1
192.07710	2.9
197.05640	4.1
197.15303	1.1
210.08791	20.4
228.09906	1.1
231.04430	1.0
242.07832	2.0
254.07808	35.5
255.08221	1.6
272.08902	72.8
273.09201	3.2
288.06647	7.8
306.07669	79.2
307.07837	3.6
402.13293	1.3
420.14474	26.6
421.15710	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08172	0.5
53.50602	0.5
54.57917	0.6
57.26543	0.6
58.02562	0.9
58.02839	10.8
59.01232	3.0
61.77992	0.6
61.98690	1.6
66.03343	1.3
68.04882	1.0
70.02842	1.0
71.01239	1.7
72.00754	1.3
74.02328	22.7
78.16901	0.7
81.04421	0.8
82.02836	2.5
86.02332	11.0
86.05962	2.5
86.98970	1.3
87.05495	6.9
88.03881	1.2
90.00027	2.0
96.04405	1.6
96.95895	0.8
97.03918	3.6
99.05497	26.4
101.07063	2.7
102.05476	3.6
107.05992	1.2
109.03942	2.8
109.07565	1.4
111.05497	1.8
112.03912	3.2
112.66064	0.7
113.03444	1.0
116.01646	0.9
123.05518	2.8
124.03892	2.3
124.11348	0.7
125.03413	1.9
127.04971	4.1
128.03404	69.1
131.04497	1.5
135.05536	5.3
135.07983	0.7
137.07101	1.8
138.05574	0.8
141.06570	5.1
143.04503	100.0
144.04845	1.4
145.06035	3.8
146.04465	7.9
147.04755	4.0
151.16547	0.8
153.06570	6.3
155.08133	1.4
160.00642	13.8
166.09727	3.5
167.04541	5.5
167.08139	3.3
170.03220	1.0
171.04037	1.7
177.03302	5.7
179.04532	20.0
181.06084	2.7
184.10791	1.5
185.05597	3.6
188.84406	0.8
190.54919	0.7
192.07753	2.1
197.05693	3.6
198.08757	0.8
199.07350	1.0
199.29117	0.7
210.08783	20.0
228.09860	2.1
236.66080	0.8
242.07838	1.5
254.07825	39.3
255.08269	1.1
272.08899	81.7
273.09216	2.8
277.12531	0.8
288.06549	8.2
289.89383	0.8
291.10080	1.0
306.07657	68.7
307.07855	3.1
344.58667	0.7
369.38989	0.8
402.13293	1.1
420.14359	19.8
421.15140	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.2
59.01235	1.1
64.14115	0.1
65.03803	0.1
67.01738	0.3
67.48646	0.1
69.03307	0.3
71.01237	0.7
73.02796	0.3
78.95761	1.5
81.03314	0.4
83.04857	0.3
84.28033	0.1
85.02805	8.5
85.04872	0.1
86.03156	0.1
87.00736	1.8
93.02757	0.2
93.03319	2.7
96.96834	0.6
97.02744	0.1
99.04349	0.3
101.02319	0.1
109.02798	0.8
111.00741	0.2
111.04379	1.1
127.03872	2.3
137.02327	0.1
143.03340	0.1
150.97820	0.1
153.01787	0.1
155.03395	0.2
171.02861	0.7
173.04491	1.0
191.05533	100.0
191.12282	1.1
192.05888	1.9
230.60776	0.1
241.01201	0.3
382.03281	0.1
421.07571	10.5
422.07922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	0.6
62.94183	0.5
63.96066	0.5
67.73166	0.4
69.03305	1.2
71.01232	0.9
71.41200	0.5
71.84147	0.5
72.97455	1.1
72.99167	55.8
73.02808	0.5
74.36380	0.5
81.03325	0.8
83.04859	0.9
84.01984	0.6
86.89445	0.6
91.73315	0.8
97.02823	1.0
97.06373	0.5
98.02495	0.5
99.08004	0.6
106.04037	0.6
107.04886	1.2
108.02060	1.0
109.02801	1.7
111.04353	1.3
113.02333	0.5
119.04934	0.7
121.02803	0.7
121.06397	0.7
121.10106	1.5
123.04339	1.4
125.02314	1.0
128.06192	1.5
128.28969	0.5
129.06987	1.7
130.37334	0.5
132.02080	1.1
134.03658	0.7
135.04379	1.8
137.02303	1.1
137.05991	0.8
137.09621	0.8
139.03821	0.6
142.07750	1.3
143.04916	1.5
144.05693	1.2
145.02800	1.3
145.06425	1.2
147.04402	1.4
147.08006	1.0
149.05934	1.9
149.09581	1.4
150.03078	0.7
150.06592	0.5
151.03899	1.0
151.11150	1.6
156.05681	1.2
157.06479	1.1
158.03664	0.6
158.07237	2.9
159.04381	1.6
159.08060	0.6
161.06010	1.5
163.03893	1.4
164.04643	2.0
165.05482	1.0
165.09172	1.4
169.06372	0.8
169.10139	0.6
170.07301	1.9
171.04398	3.9
171.08073	0.6
172.05133	2.6
173.02362	1.7
173.05992	6.1
174.03227	0.7
174.06783	3.7
175.03897	1.3
175.07578	1.1
177.05479	1.3
179.07068	0.9
184.05177	2.2
185.02397	0.7
185.06017	3.0
185.13290	7.6
186.06775	11.2
187.03937	3.1
187.07474	1.5
187.14825	1.8
188.04744	1.6
188.08258	0.7
189.05493	1.5
189.09138	4.2
192.04044	0.7
193.08452	0.7
199.03912	2.3
199.11279	0.8
199.14868	2.3
200.04707	1.8
201.05493	10.0
201.09122	1.4
201.12744	1.6
202.06282	10.3
202.09894	1.1
203.06937	1.1
203.10889	0.7
203.14349	3.2
204.07776	0.7
205.04948	1.4
212.04735	2.4
213.05489	1.7
213.09122	1.0
213.12788	2.5
214.06281	5.5
214.09962	1.3
214.25473	1.6
215.03471	1.2
215.10747	1.3
215.14334	3.6
217.05013	1.0
217.12445	0.7
218.05812	0.7
220.07396	0.7
225.12636	1.2
227.10803	2.9
227.14322	3.9
228.04324	0.7
228.11606	2.6
229.04921	1.5
229.12329	4.1
230.05829	15.0
231.10255	1.0
231.13857	6.1
232.07416	0.8
233.15392	1.5
241.08720	1.0
241.12329	5.0
242.09459	0.9
242.13008	0.6
243.10159	0.7
243.13901	18.3
244.14127	0.9
245.11736	1.5
245.15460	0.8
246.05299	1.5
247.13443	2.1
248.06764	0.8
248.10495	0.9
249.15027	2.4
253.12321	1.6
254.09506	1.6
256.11130	0.6
257.11804	1.7
258.05310	6.2
259.13376	11.1
261.14944	2.6
269.11807	7.4
271.13406	9.0
272.13739	0.8
273.11218	0.8
275.12820	1.7
276.13574	0.7
277.14490	2.5
285.11340	1.6
287.12906	13.8
289.14438	2.4
291.12402	14.4
303.12408	5.5
305.13983	4.9
313.10815	2.6
315.12326	5.0
319.11716	0.9
321.13495	5.6
331.11868	3.4
333.13403	3.9
334.14001	0.6
349.12894	3.8
365.12262	1.5
377.12244	1.9
421.02048	2.6
421.11386	100.0
422.11575	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	421.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68883	0.2
58.55139	0.2
58.81828	0.2
59.01241	2.7
64.76813	0.2
71.01240	0.5
71.04880	0.3
72.97414	1.4
72.99165	100.0
73.00679	1.5
73.02782	0.5
73.99499	0.8
81.03313	1.6
85.02794	0.2
89.02296	0.4
91.73280	0.4
93.03297	0.5
93.62273	0.2
97.02830	0.3
99.08058	0.3
101.02304	0.6
101.63952	0.2
125.02316	1.0
153.01814	0.4
159.04352	0.3
165.01825	0.7
173.04498	0.2
173.05977	0.4
177.09137	0.3
181.01436	0.5
200.04770	0.3
202.06354	0.3
203.03355	0.3
204.04190	0.4
213.12880	0.2
217.05154	0.4
228.04218	0.4
243.13869	0.4
246.05368	0.4
247.13486	0.3
249.29169	0.3
257.11893	0.4
259.13489	0.7
273.11252	0.3
275.12982	0.3
277.14478	0.4
285.11273	0.3
287.12943	0.6
301.11148	0.3
303.12393	8.1
304.12656	0.5
331.11566	0.3
347.11417	3.4
365.12521	2.9
375.11005	0.8
377.12686	0.4
393.11978	0.9
394.69144	0.2
421.11459	5.8
421.20544	0.3
422.12137	0.4
439.13754	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01271	0.9
50.49043	1.0
54.72520	1.0
59.01254	1.6
63.72002	1.0
68.64046	1.0
69.03297	1.4
72.97613	1.2
72.99165	76.6
73.62170	1.0
75.00940	1.1
83.04888	1.5
97.02816	3.9
108.02043	1.1
109.02843	1.7
118.10283	1.1
121.02850	2.0
123.04416	1.3
135.04404	4.0
136.05214	1.9
137.05954	1.5
145.02875	1.5
149.05969	2.3
149.09625	1.3
151.11166	2.1
156.05728	3.1
156.55371	1.3
157.06529	1.9
158.07317	4.0
159.04416	1.8
161.05920	2.1
163.03920	1.9
163.11153	1.2
167.03444	2.0
169.22983	1.2
171.04442	5.1
172.05115	2.2
173.02341	3.1
173.05966	6.8
173.09694	1.6
174.06755	4.3
177.05617	2.8
184.05302	3.0
185.05988	2.3
186.06772	18.6
187.03966	3.8
188.04721	1.5
189.05499	1.5
189.09103	6.0
199.03972	2.0
199.14873	2.7
201.05539	13.2
202.06281	13.9
204.07922	2.5
205.05087	1.8
212.04767	3.6
213.05519	2.2
213.12886	3.5
214.06262	7.3
214.10023	1.8
214.25508	1.4
215.03474	1.9
215.14404	5.3
217.05081	2.9
218.05861	1.6
220.07420	2.2
220.10973	1.3
227.10741	2.5
227.14417	3.0
228.11560	3.5
229.05153	1.5
230.05801	26.2
231.06537	1.6
231.13834	7.7
233.11693	1.4
233.15552	1.8
241.12270	6.3
243.03015	1.6
243.13892	36.6
245.04599	1.4
245.12022	1.3
246.05295	3.9
249.15028	2.1
254.09575	2.0
255.89801	1.4
257.11938	2.5
258.05261	6.8
259.13382	14.7
261.14987	2.9
269.11884	9.7
271.13437	14.9
275.12741	1.4
277.14432	5.1
287.12863	20.4
289.14401	2.7
303.12390	7.3
305.13934	11.7
313.10876	3.9
315.12317	9.4
321.13425	10.0
331.11844	8.8
333.13437	7.0
349.12994	9.4
365.12766	1.8
421.11444	100.0
422.11905	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	421.2079
Annotation	(3R)-1-Octen-3-yl-beta-primeveroside
Peak:m/z	Relative Intensity
55.01739	4.1
57.03304	4.7
58.00438	2.2
59.00085	2.1
59.01241	91.5
59.02488	1.3
61.98692	12.0
69.03297	4.0
71.01237	100.0
72.99153	6.0
73.02805	27.9
75.00746	1.5
80.24179	1.4
81.03307	1.4
83.01244	15.5
85.02805	38.5
87.00723	4.3
89.02295	60.3
94.67933	1.4
95.01228	3.0
97.02814	3.9
98.58624	1.3
99.00743	11.7
101.02301	67.6
101.18520	1.3
102.02612	1.2
111.00741	9.0
113.02306	31.0
115.03840	1.6
119.03355	3.5
124.12932	1.2
125.02301	9.1
125.69449	1.3
129.01834	1.5
131.03369	32.4
143.03391	6.3
145.16293	1.2
149.04437	16.0
159.02866	6.0
161.03177	1.9
161.04454	31.9
161.05774	2.8
164.72758	1.4
169.40906	1.2
173.04446	2.1
176.04826	1.3
191.05562	5.3
233.06606	7.8
270.07690	1.5
271.52478	1.4
289.16583	47.6
290.16843	2.6
293.08618	2.9
308.40054	1.8
393.22409	1.4
421.11877	3.1
421.20761	59.0
422.21140	2.6
423.90152	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.7
56.41805	0.8
57.03313	1.8
58.00452	1.8
58.99911	1.3
59.00180	1.5
59.01243	94.1
59.02421	2.1
59.77018	0.6
61.98689	0.8
64.59733	0.8
71.01240	65.2
71.02788	1.0
72.99167	8.2
73.02401	1.0
73.02806	17.8
75.00716	1.4
78.58937	0.7
81.86464	0.8
83.01248	4.1
85.02807	15.1
87.00723	3.4
89.02298	100.0
89.04504	1.5
95.01238	3.0
97.02793	2.0
99.00741	18.0
99.04417	0.9
101.02304	48.8
113.02312	25.7
115.03857	2.7
119.03368	27.6
125.02310	6.2
131.03369	16.0
143.03378	6.1
143.57487	0.9
149.04443	33.2
150.73430	1.1
161.04439	6.9
169.91881	0.8
179.05525	12.2
187.28648	0.8
191.05516	8.4
221.06723	1.9
230.82738	0.9
232.52298	0.9
233.06625	3.7
247.13342	1.0
251.07698	2.4
288.60031	0.9
289.16711	5.6
293.08948	1.1
401.43225	1.0
421.11459	2.8
421.20807	71.7
422.20935	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	421.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.3
57.03307	1.5
58.00455	1.3
58.99958	1.5
59.01240	94.3
59.02376	1.4
61.98683	1.1
69.03311	1.4
70.38171	0.7
71.01237	69.1
71.34843	0.7
72.99161	8.8
73.02798	19.3
80.59686	0.9
83.01235	5.4
85.02802	14.7
86.78211	0.8
87.00738	3.7
88.99932	1.1
89.02294	100.0
89.04429	1.3
90.02629	0.9
95.01228	3.5
96.24101	0.9
97.02786	2.2
99.00733	17.0
101.02300	49.4
102.02623	1.3
104.32632	0.7
108.27243	0.7
113.01556	1.7
113.02303	25.3
113.82156	0.8
115.03857	2.2
119.03365	26.1
125.02319	6.4
131.03372	14.7
143.03415	5.8
149.04443	35.4
150.73357	1.1
161.04439	7.1
179.05536	10.5
191.05522	10.4
204.41061	0.8
206.56499	0.9
221.06551	1.1
233.06654	4.1
233.55304	0.9
243.13683	0.8
247.13347	1.0
251.07675	2.3
259.13138	0.8
277.31467	0.8
289.16614	5.1
293.08661	1.3
303.12506	0.9
304.97720	1.1
421.11533	2.4
421.20776	62.3
422.21240	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	421.2598
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03310	0.5
57.05319	0.2
58.00467	1.3
58.54121	0.2
59.01224	1.1
69.03310	0.3
70.60861	0.2
71.04875	0.3
72.82256	0.3
72.99162	0.5
73.02823	0.3
73.96480	0.5
73.96844	0.4
76.81588	0.2
79.27457	0.2
79.61069	0.5
79.61498	0.3
79.77105	0.2
84.74994	0.2
87.00723	0.4
87.04380	0.5
99.07984	0.5
106.04105	1.2
107.04871	0.7
108.01997	0.4
111.00639	0.4
119.04897	1.2
121.02808	1.4
150.68065	0.3
151.77930	0.2
161.81006	0.4
189.12827	0.7
191.10750	0.6
191.14319	3.9
201.12791	0.4
203.14378	1.1
205.12273	0.5
217.15857	0.4
219.13861	32.0
219.22470	0.4
220.14206	0.9
221.15482	1.6
223.28012	0.3
231.14026	0.6
233.15463	2.3
235.13322	0.8
245.15547	0.3
247.13402	3.7
247.17023	5.3
249.14946	23.6
250.15306	0.5
263.16617	0.5
277.18015	0.9
285.22357	0.3
289.21542	0.3
297.22150	2.9
311.24060	0.4
323.23743	2.3
333.24484	0.4
341.25012	0.6
345.97568	0.3
352.11713	0.3
359.25867	0.4
377.26993	1.1
421.25995	100.0
422.26285	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	421.2599
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
51.87675	0.7
54.93126	0.8
59.01234	3.1
61.40496	0.7
66.40834	0.7
71.04867	1.0
72.99156	3.7
73.02797	1.8
85.06459	1.2
91.72684	1.4
98.95661	0.9
99.08005	1.3
100.67451	0.9
106.04143	2.2
107.04887	3.9
119.04897	3.1
121.02805	2.8
121.26282	0.8
134.06931	0.9
139.11139	1.7
174.52287	0.9
191.14409	1.4
204.33163	1.1
219.13867	12.5
231.17496	16.0
232.17769	1.3
233.15466	2.4
247.16997	2.8
249.15025	1.1
257.15527	2.9
259.16995	7.3
261.18564	4.9
275.20172	5.5
277.18033	4.3
282.64917	1.0
285.22122	4.5
291.19910	1.2
293.46988	1.0
303.23300	1.3
339.23050	1.2
377.26883	6.3
403.24988	1.1
421.11493	2.3
421.25992	100.0
422.26236	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52695	0.1
59.00067	1.9
59.01242	100.0
59.02559	1.3
60.01578	3.7
60.01886	0.2
61.01664	2.6
72.99172	0.6
81.97743	0.1
89.02310	0.6
91.03866	3.5
91.72735	0.2
104.11013	0.1
109.06466	0.2
121.06458	0.2
173.04440	0.2
189.15555	0.1
253.15962	0.3
253.18587	0.1
255.16727	0.3
262.52850	0.2
269.19037	0.6
270.19467	0.6
271.19995	1.2
272.20999	0.4
273.21381	0.8
287.22296	15.8
288.22501	0.8
297.18692	0.8
298.19086	0.7
299.19254	2.4
315.19632	0.4
316.19913	0.4
317.20261	1.5
333.20624	0.5
334.21127	0.9
335.21353	2.5
336.21622	0.2
359.21518	0.4
365.12601	0.2
375.21799	1.9
376.17490	0.3
376.22079	2.7
377.22421	22.6
378.22800	1.0
421.11075	0.2
421.20773	0.1
426.01941	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	421.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15140	0.3
54.23427	0.3
59.00074	2.0
59.01242	100.0
59.02587	1.0
60.01582	0.6
61.98691	0.4
62.49290	0.3
63.57334	0.4
70.50373	0.4
70.51598	0.4
72.99173	2.3
75.43033	0.3
78.95760	0.7
88.63931	0.3
89.02316	0.8
91.03870	4.7
91.04417	0.4
93.03307	0.8
96.95875	1.8
104.03197	0.3
107.04912	0.7
114.25301	0.3
121.02868	1.0
160.12209	0.4
165.05521	0.5
177.09164	0.7
191.10779	1.0
219.13957	1.1
227.20145	9.3
233.15584	0.5
234.67401	0.4
261.18933	0.4
263.16464	0.6
269.21378	0.8
275.20102	0.4
287.22311	2.8
321.14105	0.5
323.15457	0.7
351.29581	0.4
361.12918	1.3
377.27289	0.7
421.11789	1.8
421.26016	10.0
422.26349	0.6
429.36868	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46320	0.3
54.02336	0.4
57.03315	0.8
59.00175	1.3
59.01243	100.0
59.02478	1.9
60.01583	0.5
61.98706	0.9
63.57092	0.4
71.01247	2.6
72.99158	3.5
78.95767	0.6
79.57341	0.4
82.84820	0.5
83.04881	0.7
85.02805	3.5
87.00731	6.5
87.04396	0.6
89.02287	0.8
91.03860	5.0
91.72700	0.4
93.03321	2.6
96.95872	2.4
107.04923	0.7
111.04381	1.3
111.80456	0.4
113.02328	0.7
115.00237	7.1
119.04932	0.5
121.02788	0.9
137.02307	1.3
150.72319	1.3
155.03426	1.8
157.01317	4.7
163.11185	1.7
165.12733	4.2
175.02393	4.4
180.99834	0.5
191.10695	7.3
191.14388	2.0
205.12357	1.5
219.13918	5.1
219.17583	1.6
227.20103	11.5
243.17464	0.7
247.16956	0.7
249.15115	0.7
257.15436	0.7
259.16937	0.6
263.16544	16.8
264.16959	0.9
269.21405	0.8
277.18106	1.8
287.22421	2.4
289.21722	3.3
321.13770	1.2
323.15396	1.0
323.23856	0.8
359.25827	0.8
361.12769	1.3
377.26904	1.1
406.63379	0.5
421.11731	1.9
421.18866	9.5
421.26010	39.0
422.18939	0.7
422.26270	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.2
59.00063	2.0
59.01242	100.0
59.02596	0.9
60.01584	0.7
62.48167	0.2
63.98479	0.2
66.55279	0.2
72.99160	0.3
73.02794	0.2
78.95770	0.3
88.46342	0.2
93.03316	0.6
97.02824	0.2
106.04136	0.5
119.04910	0.8
121.02836	1.3
133.06483	0.3
163.03897	0.3
183.01265	0.3
200.54666	0.2
203.14349	2.6
204.14703	0.3
219.13814	1.5
231.17441	0.2
261.18607	0.3
273.11768	0.2
273.18582	1.5
275.20181	2.3
289.21851	0.4
291.19656	0.5
299.23761	3.6
300.24258	0.3
301.24640	0.3
303.23346	0.3
305.17685	0.3
315.23257	0.4
317.24854	2.8
319.19241	0.5
335.18820	1.4
339.19928	0.8
343.26395	3.6
347.18665	0.3
361.23834	8.0
361.27576	0.9
362.24133	0.7
363.24246	1.4
403.25031	0.7
408.12030	0.3
421.11505	0.3
421.19199	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	422.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46331	1.0
51.64642	0.4
54.55804	0.5
57.03303	1.8
58.02835	5.3
59.01237	3.2
63.45171	0.4
66.03348	0.9
67.02873	0.4
71.01250	1.5
72.00762	1.2
74.02330	13.9
80.23866	0.4
82.02833	1.7
84.04384	0.9
85.03909	0.7
86.02335	5.9
86.05972	0.7
86.68851	0.5
86.98975	1.0
87.05483	3.6
90.00037	1.6
97.03928	2.0
99.04364	2.0
99.05495	12.7
101.02299	1.3
101.07059	2.4
102.05470	1.3
109.03947	1.8
109.07553	0.7
111.05508	0.8
112.03908	1.7
113.02274	1.0
116.01620	1.3
119.26171	0.6
120.74274	0.5
123.05512	1.4
124.03914	0.9
125.02374	0.6
125.03457	1.1
126.01852	0.5
127.04973	2.6
128.03407	36.8
128.07164	0.6
129.03729	0.6
129.99619	0.6
131.04472	1.4
135.05521	3.1
137.07103	1.3
141.06580	4.2
143.04509	52.9
144.04851	1.1
145.06061	2.5
146.04471	4.3
147.04410	1.7
153.06583	3.9
155.08163	0.6
160.00638	14.5
166.09793	1.5
167.04547	4.0
167.08174	2.1
170.03197	0.8
171.04120	0.6
171.07689	0.9
177.03337	5.1
179.04535	11.2
181.06114	1.2
184.10831	1.1
185.05576	1.2
190.21889	0.6
192.07782	0.7
197.05626	1.8
209.39484	0.5
210.08775	10.0
211.09540	0.5
231.04379	0.7
242.07843	1.6
254.05301	1.1
254.07819	13.8
260.08896	0.6
272.05978	1.0
272.08905	19.6
273.09427	0.8
288.06619	7.7
298.81589	0.5
306.07669	100.0
307.08014	5.0
384.13028	4.6
385.13446	0.6
386.13589	0.7
404.15103	3.2
423.19150	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59663	0.1
53.09642	0.1
57.39145	0.1
57.62564	0.1
59.01258	0.3
59.49911	0.1
61.09121	0.1
61.98701	0.2
69.78574	0.1
71.01233	0.3
72.99170	0.8
73.02800	0.6
78.95760	2.5
79.95588	2.3
82.29213	0.1
96.93263	1.4
96.95866	100.0
96.96859	3.6
96.98105	1.0
97.95802	0.2
109.02838	0.2
109.06445	0.4
111.03095	0.2
113.02260	0.2
121.02809	0.7
147.04369	0.2
148.71109	0.2
163.03891	0.2
163.11179	7.5
164.11603	0.2
165.12744	0.4
173.03185	0.5
185.40797	0.2
193.12291	0.9
207.10451	0.2
209.04440	0.2
233.11902	0.2
237.11240	0.4
251.09233	1.3
257.89368	0.1
293.39551	0.1
325.09311	1.8
351.14365	0.2
361.13043	0.3
367.13934	0.2
379.13806	0.2
423.12909	5.7
423.22098	0.3
424.13229	0.3
438.78757	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	423.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79573	0.1
52.77877	0.2
56.66923	0.1
57.03313	0.2
59.01240	1.4
60.46746	0.2
61.72792	0.1
61.98676	0.2
69.03307	0.2
70.61012	0.2
71.01242	1.4
72.99165	0.9
73.02804	0.6
74.02316	0.5
75.00738	0.4
79.95125	0.2
79.95587	3.2
80.95929	0.2
80.96375	2.7
83.01213	0.4
85.02814	1.0
87.00738	1.4
89.02306	0.6
89.20528	0.3
95.95120	0.2
96.93405	1.6
96.95868	100.0
97.02803	0.4
97.84180	0.2
97.95811	0.3
99.26388	0.2
101.02299	1.2
104.03408	0.2
109.02805	0.3
113.02306	2.2
116.92728	0.6
119.03407	0.3
121.02850	0.2
122.03600	0.4
123.24435	0.2
125.02294	1.0
129.01794	0.3
137.02274	0.2
137.05911	0.9
138.96892	0.9
139.81252	0.2
150.96957	0.3
164.04686	0.2
166.96478	0.8
179.07025	0.8
181.04996	0.3
185.06001	0.6
201.11263	0.3
213.00810	0.3
222.99126	0.9
223.72081	0.2
236.57712	0.2
241.00215	30.9
242.00562	0.7
243.13866	0.6
356.81985	0.4
363.16534	0.7
367.13980	2.0
379.06940	0.2
395.13550	0.2
422.83057	0.5
423.06073	56.4
424.06351	2.8
443.17392	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	423.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70527	0.5
55.01746	0.6
57.03331	2.8
57.03548	0.6
64.34663	0.4
69.03003	0.7
69.03319	7.8
70.14043	0.5
71.01238	1.5
71.04860	1.4
71.77196	0.5
72.99168	22.6
73.02802	3.4
78.44103	0.5
81.03320	0.7
85.02808	4.3
87.04362	0.9
91.45874	0.5
94.77644	0.5
96.95852	0.7
97.02221	1.0
97.02811	12.2
99.04366	1.4
109.02779	1.2
111.53154	0.5
112.99004	0.8
113.02312	58.1
114.02641	0.9
121.02820	1.1
121.06480	1.0
125.02317	54.9
126.02623	0.9
137.05927	0.7
141.01831	7.3
143.03369	1.9
146.03658	0.6
147.04402	1.4
149.05927	0.9
149.09624	0.7
151.11208	0.6
160.03401	0.6
165.05475	0.8
174.03123	1.5
175.03896	1.6
179.10727	2.1
181.12326	1.3
186.06699	0.7
191.10718	0.6
192.03973	0.6
193.12202	0.6
203.10605	0.6
203.50375	0.6
204.11533	1.8
207.10222	1.0
209.04507	0.9
215.14381	2.3
231.10181	1.4
232.10939	3.1
233.11832	0.8
233.15514	1.3
237.71700	0.7
243.13930	3.9
247.13210	0.6
249.11285	1.0
259.13364	1.0
261.14957	3.9
263.12766	0.7
275.12912	0.7
277.14499	1.0
287.12842	2.7
305.10635	0.6
305.13916	2.7
307.11829	1.2
322.60483	0.6
323.14725	0.7
349.12845	5.4
367.14005	100.0
368.14352	6.7
380.09314	0.6
395.13403	6.2
423.12976	12.4
424.13565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78762	0.8
57.03314	1.5
58.00463	1.0
59.01246	9.2
65.00208	1.0
65.29384	0.8
69.03314	1.3
71.01248	4.1
72.99167	14.8
73.02812	2.2
75.00736	1.9
78.81936	0.8
81.03323	1.1
83.04906	1.4
89.02311	2.0
91.73299	1.3
92.84586	1.1
93.03328	3.3
96.95868	18.8
97.02827	2.4
99.04433	1.1
99.08058	1.2
101.02333	2.9
107.04924	4.1
108.02086	1.1
109.02818	1.1
113.02299	6.5
119.03365	1.5
119.04893	2.2
120.99603	1.2
121.02883	2.4
121.06459	21.4
121.07269	1.4
123.04441	1.6
123.08147	1.0
125.02328	7.0
131.04945	2.6
133.06519	1.1
135.04440	5.1
137.06038	3.4
147.04372	5.0
149.02374	1.0
149.05948	12.1
149.06963	1.1
153.05559	1.2
161.04547	1.2
161.05971	1.8
163.03915	14.7
165.05486	24.4
170.07315	2.2
171.04587	1.1
173.06021	1.5
174.03177	1.9
175.03911	18.2
176.08386	1.4
179.03499	1.0
185.06039	1.3
185.13329	3.9
186.06822	4.2
187.03938	1.5
188.08444	1.7
191.03526	2.1
193.05008	1.9
201.05502	1.4
204.07968	1.3
209.04408	1.2
209.13277	5.2
212.12187	1.1
214.06465	2.0
215.14491	2.0
217.12323	1.7
217.15872	2.0
225.12852	1.8
227.14388	23.4
227.16502	1.5
228.14894	1.3
231.13899	1.8
232.07384	1.7
241.00351	3.9
243.13820	7.2
245.03688	1.4
245.11934	1.1
245.15565	3.3
255.13829	1.8
259.06232	1.9
259.13412	1.6
260.06638	2.7
261.06976	2.3
261.15094	8.4
261.16931	1.4
271.13403	6.6
287.12897	14.7
289.14398	6.4
305.14090	1.9
307.15738	2.3
315.12650	3.6
317.13962	2.2
323.96854	1.0
333.13602	3.3
361.12756	5.3
367.13986	7.1
379.14005	81.0
380.14658	4.3
423.13287	100.0
423.22617	14.1
424.13553	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	423.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65904	0.3
58.55996	0.4
59.07834	0.4
60.26350	0.4
61.66049	0.4
68.99661	0.8
71.01237	5.1
71.04874	1.1
72.99166	28.0
73.00854	0.6
73.02816	3.4
75.00719	1.0
79.95591	1.1
83.04871	0.5
91.05406	0.5
93.03359	0.4
95.04873	0.6
96.95871	29.8
99.04380	1.0
104.67171	0.4
106.04089	0.7
107.04870	1.3
108.02019	0.5
109.02808	2.1
111.74151	0.4
112.01506	1.7
112.14870	0.4
113.02315	1.1
119.04893	2.1
121.02827	2.9
121.06464	3.2
123.08002	1.0
125.02328	0.8
133.06477	7.6
134.03654	0.5
135.04410	0.9
136.01555	0.6
137.05962	0.5
137.09695	0.5
141.09053	0.6
147.04410	5.9
148.01456	0.5
148.05087	0.6
149.05949	0.9
149.09627	0.8
151.07552	3.3
158.07288	0.8
159.04410	0.8
163.03896	1.8
163.11162	1.9
165.01839	0.6
165.05470	1.3
169.08627	2.2
171.04433	0.7
173.05930	0.7
174.03197	0.6
175.03960	1.2
175.07545	0.8
176.04665	0.7
177.09146	0.5
185.06017	2.6
186.06801	3.1
187.07568	1.2
187.11220	0.7
189.09064	0.8
191.03380	0.6
191.10710	0.9
193.12303	0.4
201.05489	0.5
202.06239	0.6
203.07019	0.7
204.07895	1.3
205.08710	0.5
205.12300	0.8
213.52837	0.7
214.06131	0.4
215.14384	0.7
219.06570	0.6
219.13828	0.7
225.12938	0.6
227.14418	0.9
229.12209	0.5
231.10176	1.0
231.13899	1.1
233.11746	0.7
233.15392	0.9
243.13875	3.3
247.13232	0.7
251.09167	0.6
259.13348	1.1
261.15054	0.7
271.13422	1.2
273.15021	0.9
287.12866	1.6
289.14291	0.5
305.13910	2.6
335.14966	0.6
349.09497	2.1
349.13034	1.7
351.14359	0.5
356.76749	0.9
361.12961	8.4
367.13925	1.4
377.11893	0.5
379.14072	7.5
423.13004	100.0
424.13379	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	423.13
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
51.94138	0.4
53.04840	0.4
54.54134	0.5
59.01230	1.1
67.01723	0.7
67.84747	0.4
68.03560	0.4
68.99666	1.0
69.03308	1.2
69.32449	0.4
71.00874	0.6
71.01237	6.0
71.04870	1.2
71.40935	0.4
71.61246	0.4
72.98788	1.0
72.99167	14.0
72.99582	0.7
73.02802	11.6
79.01730	0.5
81.03313	0.7
84.01991	0.5
85.02778	0.7
91.05374	1.0
91.73397	0.5
93.03310	1.6
96.95867	13.3
97.02786	1.3
103.99480	0.5
106.04135	0.7
107.04881	1.7
108.02036	0.7
109.02813	3.3
111.00738	0.7
112.01496	1.7
113.02285	3.8
119.04888	2.8
121.02825	5.3
121.06478	2.6
123.04353	0.9
125.02300	4.9
125.05918	0.8
133.06447	4.3
134.03578	0.5
135.00757	2.6
135.04391	1.4
137.02307	1.9
137.05962	0.8
141.01677	0.5
143.00179	0.6
143.04860	0.7
145.06505	0.5
147.04381	5.1
148.29123	0.5
149.02290	0.9
149.05981	1.6
149.09608	1.1
151.07523	2.3
151.11079	0.8
153.01816	0.9
156.26942	0.5
156.40079	0.5
159.04401	1.7
161.02229	0.6
163.03856	3.5
165.05466	1.9
169.08595	2.6
171.04362	0.8
174.03140	1.1
175.03908	1.6
176.04646	2.1
177.05524	4.7
177.09116	1.0
177.12817	0.7
179.14259	1.0
185.05974	0.7
186.06755	2.1
189.09076	1.0
189.12744	1.0
191.03412	1.4
193.04965	1.1
195.06627	1.2
203.03406	0.6
203.14278	0.9
204.04129	0.6
204.07860	0.6
209.04501	3.2
215.14255	0.8
221.15425	0.9
231.10178	1.0
231.13829	2.0
233.11783	3.0
233.15501	0.8
241.01588	0.7
243.13924	1.7
259.13409	0.8
261.07755	0.9
261.11267	1.8
261.14990	0.9
266.31296	0.6
271.02631	0.9
271.13370	0.7
275.12811	0.9
287.12817	2.1
305.10474	0.7
305.13995	1.1
337.13037	5.3
349.09207	4.7
349.12994	2.6
361.03848	0.7
361.13022	4.3
365.12259	0.7
367.13934	6.3
379.13812	2.0
393.11990	1.9
395.13083	0.9
423.12930	100.0
424.13330	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	423.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	0.5
57.32997	0.3
59.01234	1.1
65.03817	0.5
67.01756	0.4
68.99673	0.4
69.03302	1.2
69.54630	0.3
71.01230	0.7
71.04879	6.9
71.05269	0.3
72.97363	0.6
72.99166	39.9
73.00783	0.9
73.02805	2.8
73.99511	0.3
75.00718	0.7
81.03296	0.5
83.04888	0.6
85.02785	0.5
91.05369	0.3
93.03307	0.9
95.04874	1.0
96.95842	0.4
97.02808	1.2
97.06445	1.2
97.12818	0.3
99.00738	0.4
99.04343	0.6
105.06970	0.7
107.04872	1.4
109.02818	0.7
109.06428	0.8
111.04383	0.6
111.08042	2.2
113.02296	3.2
117.06957	1.2
119.04880	0.5
121.02792	0.5
121.06418	0.6
123.04400	0.9
123.08022	1.5
125.02304	4.4
130.04085	0.6
131.04919	0.5
133.06470	3.5
135.04387	0.5
135.08032	1.4
137.02319	0.5
137.05927	0.6
139.03951	0.5
141.01753	0.4
145.06424	0.5
145.10103	0.4
147.04399	0.8
147.08081	0.8
148.26555	0.3
149.02403	0.6
149.05988	1.1
149.09598	1.1
151.03879	0.4
151.07484	0.4
155.10721	0.4
158.07274	0.5
159.04390	3.2
159.08076	1.4
161.05945	0.7
161.09622	0.9
163.11226	0.4
165.09102	1.1
166.02730	0.4
169.06480	0.4
170.07286	0.7
171.04424	0.5
171.08041	1.4
172.05305	0.5
172.08844	0.4
173.05951	0.7
173.09680	0.6
175.07506	0.3
175.11198	0.6
176.04710	0.8
177.05490	3.8
177.09213	0.7
177.12695	0.4
179.10623	0.5
183.11716	0.5
185.02423	0.8
185.06038	0.9
185.09650	0.8
185.13179	0.5
186.06789	0.5
187.07561	1.2
187.11224	0.8
187.14827	0.4
188.08316	1.1
189.09149	0.8
189.12726	0.5
191.07164	0.5
191.10670	0.6
193.04976	0.5
193.08626	0.4
195.06563	1.4
195.11748	0.9
195.13815	0.4
197.06065	0.6
197.13280	0.6
199.07608	1.2
199.11259	0.5
200.08394	1.1
201.09213	0.6
201.11142	0.4
201.12759	1.9
203.03459	1.4
203.07050	0.6
203.10699	1.3
203.14417	1.2
205.12267	0.6
207.10161	0.6
211.11255	0.6
213.05516	0.5
213.12808	5.7
213.52650	1.2
214.06310	3.2
214.13092	0.5
215.07153	0.4
215.14391	2.0
216.07919	0.7
219.10176	0.5
221.11876	1.0
225.12819	0.9
227.10764	0.5
229.12311	0.8
231.10280	0.8
231.13855	3.4
232.07404	0.4
232.11060	3.0
233.11964	0.6
233.15431	2.3
239.10976	0.4
241.12329	1.6
242.99387	0.6
243.06505	0.8
243.13905	3.1
243.69899	0.3
249.11263	2.0
249.14981	0.4
257.11771	1.9
259.13467	1.2
261.15039	3.2
269.11838	0.6
270.98816	0.6
271.13376	0.9
275.13025	0.6
276.10086	1.4
277.14392	0.8
287.12918	2.9
289.14468	0.9
293.10330	0.4
293.13928	0.8
295.15512	1.6
305.14044	1.8
315.12427	1.2
321.13348	0.5
323.15005	0.9
333.13580	0.9
344.63351	0.4
349.12946	7.3
350.13165	0.6
351.14423	1.0
361.12808	0.5
367.14014	19.1
368.14508	1.0
377.12347	0.9
379.14047	6.8
395.13507	5.8
423.13007	100.0
424.13339	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	423.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83720	0.3
51.42026	0.3
54.92560	0.4
58.43607	0.4
68.99661	1.2
71.00865	0.7
71.01234	6.4
71.04855	0.6
72.99168	6.5
73.02802	12.5
73.58053	0.4
75.00719	0.5
75.48199	0.4
81.03304	0.8
85.75822	0.4
91.05373	0.6
91.72797	0.9
93.03303	0.6
96.95864	3.3
97.02806	0.6
106.04104	1.0
107.04885	1.1
109.02822	3.0
109.06462	0.7
112.01513	2.7
113.02384	0.6
119.04882	2.0
121.02827	5.1
121.06454	3.0
123.08010	0.5
125.02310	0.8
125.05944	0.9
132.05730	0.5
133.06465	4.4
135.00757	2.4
135.04391	1.2
137.05942	1.0
143.04881	0.5
147.04402	6.4
148.01558	0.5
149.05965	0.7
149.09593	0.5
151.07547	3.3
153.09088	0.5
159.04396	1.5
161.09619	1.0
163.03883	3.3
163.11194	2.5
165.05446	1.0
169.08603	2.6
171.04413	0.7
174.03104	1.2
175.03856	1.0
176.04694	2.5
177.05492	4.1
177.09109	1.3
185.05989	1.1
186.06728	2.4
187.07611	0.9
188.08339	0.6
189.05414	0.5
191.03439	1.5
195.06563	1.4
202.06111	0.6
203.07150	0.7
204.07793	1.2
205.22627	0.6
209.04494	3.9
215.14366	0.7
216.07893	0.6
227.14442	0.6
231.10208	1.0
231.13846	0.9
233.11815	3.3
243.13853	0.9
251.09177	0.6
261.11432	0.5
261.14917	0.9
287.12842	0.9
305.10425	0.6
305.13989	0.8
349.09235	5.5
361.12933	4.3
362.13580	0.6
367.13861	1.2
377.12305	0.6
377.46481	0.5
379.14142	2.2
423.12994	100.0
424.13516	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	423.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.6
57.66088	0.4
67.01739	0.5
69.02961	0.5
69.03315	9.3
71.01217	0.8
71.04872	1.5
72.99167	22.2
73.00836	0.6
73.02792	2.2
73.99503	0.5
81.03296	0.5
85.02802	4.2
91.72753	0.7
97.02805	11.7
99.04372	0.8
100.50034	0.6
109.02820	1.0
113.02306	57.5
113.05536	0.8
114.02663	1.4
117.11549	0.4
121.06451	0.8
124.98941	0.9
125.02312	60.7
125.06095	0.9
125.81197	0.4
126.02646	1.7
130.54642	0.5
137.02357	0.5
137.05939	0.7
141.01819	7.8
143.03419	1.3
146.03629	0.5
147.04388	0.5
149.05931	1.1
149.09450	0.5
151.11116	0.8
165.05507	0.8
171.04468	0.5
174.03165	1.9
175.03943	1.6
177.09158	0.8
179.10699	2.7
181.12277	1.1
185.05763	0.5
186.06763	0.7
201.05362	0.6
204.11549	1.6
204.79150	0.5
207.10194	0.6
209.04480	0.9
215.14377	1.5
225.11270	0.7
229.08810	0.5
231.10226	1.3
231.14006	0.8
232.11003	2.5
233.15439	1.4
243.13919	2.5
247.13501	0.7
259.13348	1.0
261.14932	4.7
269.11768	0.7
277.14532	0.9
287.12988	2.4
305.13947	2.7
307.11902	1.3
311.01074	0.5
321.13239	0.6
349.12946	5.4
367.13992	100.0
368.14346	13.9
395.13489	7.0
396.13934	0.9
423.13004	8.4
424.13409	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86985	0.9
58.21252	1.0
59.01213	1.3
69.03334	1.2
72.99168	21.4
83.04869	2.4
94.30743	1.4
97.02834	1.4
99.04388	2.2
99.08004	1.3
101.02235	1.3
108.01971	1.3
111.04403	2.2
115.03872	2.4
121.10071	2.3
127.03890	8.0
137.05901	2.0
149.05936	1.5
149.09641	8.2
151.11160	1.9
158.07280	5.1
167.10692	2.9
171.04413	4.1
172.05142	1.5
174.03127	2.7
177.09146	1.6
179.10762	2.1
185.05963	2.0
186.06781	9.1
188.80284	1.3
195.10234	1.8
199.11266	1.9
205.15919	1.8
207.10283	3.1
214.09955	3.5
215.12416	1.3
215.14339	15.2
225.11148	3.5
231.10069	1.3
231.13953	2.4
233.15433	8.5
243.13898	31.5
250.78815	1.3
251.16617	1.5
259.13419	3.3
261.14941	11.2
277.14487	3.0
279.16119	6.0
287.12921	46.0
305.13983	7.8
323.14957	3.1
331.12167	6.1
349.12946	41.9
367.13995	100.0
368.14236	4.0
395.13477	2.1
422.20944	1.7
423.13083	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	423.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	22.0
58.00477	3.4
59.01245	48.6
61.98705	3.1
63.99275	3.1
71.01230	16.7
71.04890	7.1
72.99171	37.1
73.02824	7.6
75.00748	5.1
85.02828	11.8
89.02349	10.1
93.03316	5.5
95.04898	3.3
96.95868	25.6
97.02819	3.7
98.19364	2.7
99.00710	2.9
99.04380	24.5
99.98140	3.6
101.02306	20.3
107.04948	6.2
109.02863	6.1
109.06474	3.5
112.01241	3.0
113.02356	12.4
119.03374	5.3
120.24815	3.3
122.93263	3.1
125.02377	11.5
125.80012	2.9
135.04453	5.0
137.06029	3.7
140.26715	3.1
149.06075	6.2
161.04475	7.2
163.84834	3.2
164.77844	3.5
165.05492	50.1
177.05569	5.6
193.05032	7.8
213.12985	4.5
214.06490	5.5
223.06245	6.6
256.01538	3.5
261.14832	4.3
277.14487	4.1
279.14490	7.9
301.01389	3.4
315.12827	3.4
349.12994	8.5
361.12759	3.9
367.14026	20.4
379.14111	7.8
395.13373	5.0
423.12994	84.8
423.22293	100.0
424.13339	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	423.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53185	0.4
52.11923	0.4
55.01631	0.9
55.01857	0.5
56.82370	0.5
57.03157	1.2
57.03452	0.8
57.09809	0.4
59.01076	0.8
59.01385	1.4
63.54722	0.4
69.03141	0.6
69.03431	0.7
71.01012	1.0
71.01387	0.9
71.04623	1.1
71.05058	1.9
72.98882	4.3
72.99346	9.4
73.02551	0.9
73.02985	1.7
78.01573	0.4
81.03474	0.7
83.05036	1.1
85.02975	0.9
87.00890	0.5
89.02460	0.4
93.02949	0.7
93.03487	1.1
93.04194	0.9
95.04470	0.9
95.05088	1.6
96.15582	0.7
96.96005	1.1
97.02966	1.1
99.04560	1.0
101.02447	0.7
105.07146	1.0
107.05071	1.2
109.03008	0.9
109.06607	0.5
112.01740	0.8
113.02538	6.5
119.05056	1.1
121.03014	1.2
121.06686	1.8
121.10301	1.4
122.03796	0.6
123.04565	0.6
123.08260	2.3
124.01673	0.5
125.02551	4.8
130.04321	0.8
131.04253	0.6
131.05115	1.3
133.06718	2.1
137.02547	0.7
137.06184	1.5
139.04044	0.7
141.02068	1.9
147.04579	0.8
147.11879	0.7
149.02565	3.2
149.06201	6.7
149.09753	1.3
151.04039	0.6
151.07713	0.9
151.11401	2.0
157.06670	1.0
158.03813	1.3
158.07388	0.8
159.04439	8.7
159.08238	0.9
161.06209	0.6
161.13445	0.5
165.05482	4.2
165.13004	1.4
175.04036	1.2
175.07727	0.6
177.05478	5.1
177.12741	6.4
179.10947	1.9
179.14336	5.2
185.02524	0.9
187.07797	1.5
187.11354	1.0
188.08540	1.3
189.12782	2.4
191.07295	1.1
191.10933	0.7
193.05028	3.7
193.12462	1.3
195.06796	1.4
203.03471	3.8
203.14442	1.1
205.08815	1.1
205.12514	1.3
205.16139	1.8
207.13855	2.8
207.17462	5.2
211.06161	1.0
213.05658	1.1
214.06491	1.7
215.10782	0.8
215.14551	1.5
216.11473	8.4
217.12392	1.4
217.15909	5.0
219.06667	0.7
219.14063	0.6
221.04636	0.6
227.14359	2.5
231.13910	0.7
233.11812	4.7
233.15419	5.1
235.17018	8.6
236.17508	0.7
236.53470	0.6
239.05849	0.6
243.03029	0.6
243.06853	1.2
245.15462	13.8
247.13464	1.2
249.15036	2.6
260.10538	6.3
261.07932	0.9
261.11240	0.6
261.15106	2.2
263.16571	2.8
271.13394	5.9
277.14481	6.0
277.62003	0.5
279.16052	7.9
289.14526	4.6
305.13962	6.6
307.15503	9.1
308.15808	0.6
323.15094	2.9
333.13461	10.5
333.17252	1.1
334.13760	1.0
335.15036	0.5
339.74820	0.5
349.12900	1.3
351.14508	100.0
352.14795	6.0
377.12411	3.9
379.13904	1.0
395.13477	28.2
396.13657	1.7
423.07468	0.9
423.12793	18.6
423.22168	1.4
424.13077	1.4
436.44275	0.6
442.92520	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94138	0.4
53.04840	0.4
54.54134	0.5
59.01230	1.1
67.01723	0.7
67.84747	0.4
68.03560	0.4
68.99666	1.0
69.03308	1.2
69.32449	0.4
71.00874	0.6
71.01237	6.0
71.04870	1.2
71.40935	0.4
71.61246	0.4
72.98788	1.0
72.99167	14.0
72.99582	0.7
73.02802	11.6
79.01730	0.5
81.03313	0.7
84.01991	0.5
85.02778	0.7
91.05374	1.0
91.73397	0.5
93.03310	1.6
96.95867	13.3
97.02786	1.3
103.99480	0.5
106.04135	0.7
107.04881	1.7
108.02036	0.7
109.02813	3.3
111.00738	0.7
112.01496	1.7
113.02285	3.8
119.04888	2.8
121.02825	5.3
121.06478	2.6
123.04353	0.9
125.02300	4.9
125.05918	0.8
133.06447	4.3
134.03578	0.5
135.00757	2.6
135.04391	1.4
137.02307	1.9
137.05962	0.8
141.01677	0.5
143.00179	0.6
143.04860	0.7
145.06505	0.5
147.04381	5.1
148.29123	0.5
149.02290	0.9
149.05981	1.6
149.09608	1.1
151.07523	2.3
151.11079	0.8
153.01816	0.9
156.26942	0.5
156.40079	0.5
159.04401	1.7
161.02229	0.6
163.03856	3.5
165.05466	1.9
169.08595	2.6
171.04362	0.8
174.03140	1.1
175.03908	1.6
176.04646	2.1
177.05524	4.7
177.09116	1.0
177.12817	0.7
179.14259	1.0
185.05974	0.7
186.06755	2.1
189.09076	1.0
189.12744	1.0
191.03412	1.4
193.04965	1.1
195.06627	1.2
203.03406	0.6
203.14278	0.9
204.04129	0.6
204.07860	0.6
209.04501	3.2
215.14255	0.8
221.15425	0.9
231.10178	1.0
231.13829	2.0
233.11783	3.0
233.15501	0.8
241.01588	0.7
243.13924	1.7
259.13409	0.8
261.07755	0.9
261.11267	1.8
261.14990	0.9
266.31296	0.6
271.02631	0.9
271.13370	0.7
275.12811	0.9
287.12817	2.1
305.10474	0.7
305.13995	1.1
337.13037	5.3
349.09207	4.7
349.12994	2.6
361.03848	0.7
361.13022	4.3
365.12259	0.7
367.13934	6.3
379.13812	2.0
393.11990	1.9
395.13083	0.9
423.12930	100.0
424.13330	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	423.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87305	0.5
52.78331	1.6
52.78539	0.6
57.03301	1.3
59.01242	7.1
61.98670	0.6
71.01222	2.5
72.99174	4.8
73.02784	2.0
74.98928	0.8
75.00729	0.8
78.66682	1.0
85.02776	0.9
89.02287	2.1
89.33434	0.7
92.77832	0.7
93.03344	0.6
96.95865	11.6
96.96799	1.1
97.02795	1.0
99.04347	1.2
101.02290	2.0
111.05461	0.6
113.02311	4.5
114.68571	0.7
119.03356	1.2
119.04767	0.6
125.02325	4.9
125.09520	1.0
126.16781	0.8
129.83853	0.7
129.84871	0.6
137.02307	1.7
141.01804	0.9
145.02869	0.6
147.04391	0.6
162.03099	1.9
165.01836	1.1
166.02577	1.6
169.06429	0.7
170.07271	0.8
173.02283	1.3
174.03076	0.8
180.04153	2.5
181.04997	3.2
184.99513	1.4
185.05994	100.0
186.06383	4.7
195.06580	3.8
201.05510	1.8
201.11116	1.4
215.10690	2.0
215.14256	0.7
216.11455	0.7
218.05736	1.8
227.14377	3.6
229.05009	2.1
231.10246	0.9
243.13892	98.0
244.14258	5.5
259.13400	1.1
261.07684	1.6
261.14969	1.0
271.13446	2.7
276.06482	1.5
279.10931	1.4
287.12759	3.5
305.13953	40.4
306.14304	2.2
352.31638	0.6
359.64249	0.7
363.16623	1.4
367.13992	5.9
423.13019	61.9
423.22516	2.5
424.13232	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85646	0.3
57.94014	0.2
59.01242	2.2
62.18520	0.3
68.09329	0.3
79.51837	0.9
79.52303	0.7
92.02527	0.8
93.03269	0.5
94.83924	0.3
106.04102	2.7
106.37971	0.3
107.04881	4.8
107.95335	0.3
108.87345	0.3
109.92692	0.4
113.02310	0.6
116.24026	0.3
119.04891	13.2
119.05759	0.6
121.02820	4.7
122.59698	0.3
125.02369	0.5
132.14343	0.3
133.06459	2.6
134.31139	0.3
137.02267	0.7
138.26299	0.3
143.42027	0.3
147.08025	0.5
149.09615	0.6
149.52393	0.4
161.09650	0.7
163.11160	0.7
175.11171	0.6
187.11134	0.3
189.12790	1.2
191.14220	0.3
203.14346	1.4
215.14485	0.6
223.72469	0.3
225.12830	0.7
229.16014	0.3
239.14464	0.5
241.16037	0.3
243.13766	0.4
274.95090	0.4
281.19098	0.8
295.20657	4.1
296.21216	0.3
297.22238	44.2
298.22614	2.0
307.00089	0.3
341.21219	100.0
342.21631	5.3
367.13852	1.7
371.29025	0.4
423.16281	5.2
424.16696	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57338	0.4
57.03314	3.4
58.00435	0.4
58.02834	0.7
59.01241	8.7
60.01549	0.3
61.98688	0.5
71.01237	4.7
71.04874	3.6
72.99171	0.9
73.02797	1.2
74.02321	1.2
75.00721	0.8
78.95293	0.8
78.95756	16.1
79.95588	1.8
81.91650	0.7
81.92046	0.4
83.01227	1.2
85.02795	2.8
85.06448	3.7
86.02303	0.4
87.00722	2.9
87.05517	0.5
87.27569	0.3
89.02299	1.6
94.74170	0.3
95.04877	1.3
96.95865	67.1
96.96819	40.5
96.98446	1.0
96.99364	0.7
97.02789	0.4
99.00735	0.6
99.04374	0.4
99.05486	1.3
101.02293	5.5
101.05920	3.5
104.10534	0.3
105.71568	0.3
109.06457	0.8
111.04407	0.4
111.08009	1.9
113.02299	2.2
113.05939	5.2
114.12349	0.3
115.00233	0.4
119.03314	0.6
119.04882	1.0
125.09568	0.9
127.07516	7.3
128.03389	2.5
128.09396	0.3
129.03737	1.0
129.05389	1.7
129.09079	49.0
129.13000	0.6
130.09412	0.8
133.04892	0.3
134.03645	0.3
137.02309	0.4
138.03065	0.4
141.09140	0.3
143.03473	0.5
143.04475	3.0
143.10649	0.7
144.04832	0.9
150.03073	0.7
151.03845	0.3
157.08585	2.8
160.00665	0.9
161.00935	0.6
161.04425	1.0
163.03896	1.4
163.11153	2.7
169.08614	0.8
171.94597	0.4
175.02403	0.7
179.04567	0.6
181.12314	0.4
185.05956	3.6
193.01727	0.6
199.13332	0.7
200.99570	0.5
210.08775	0.4
217.14459	0.6
243.13922	4.4
243.16069	0.8
254.07753	0.8
255.08203	0.6
259.15475	1.3
261.00809	0.6
261.17065	100.0
262.17380	3.2
272.08899	1.1
273.09293	0.9
287.09158	0.4
288.06696	0.3
289.07019	0.4
305.14163	1.7
306.07648	3.5
307.07901	5.6
307.11197	0.5
308.07477	0.8
356.69492	0.4
363.16467	0.6
367.14008	0.5
423.12997	3.3
423.22415	65.1
424.22672	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	423.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.8
56.26185	0.6
56.44623	0.6
57.03318	1.4
58.00467	1.5
59.00069	1.9
59.01242	100.0
59.02546	1.3
60.01541	0.6
61.98701	0.9
70.47414	0.6
70.99702	1.2
71.01238	56.0
72.99158	4.6
73.02804	9.3
74.02331	1.5
75.00733	1.6
76.70946	0.6
80.30623	0.6
83.01258	2.2
85.02801	11.5
87.00721	4.0
89.02295	84.4
93.03315	0.8
95.01250	3.5
95.04894	0.8
96.95859	4.5
99.00739	2.6
99.92461	0.7
101.02302	40.5
104.03407	1.3
109.02887	0.8
113.02309	28.7
115.03872	1.1
116.92722	15.9
117.01794	19.6
117.92841	0.8
119.03365	37.0
125.02313	5.6
127.05040	1.5
127.07540	3.0
128.03409	0.8
129.09100	0.7
131.03362	3.6
137.02353	1.9
143.03401	6.2
143.04477	1.2
145.06047	1.1
149.02330	1.1
149.04472	3.5
150.03168	1.7
151.03935	1.9
161.04446	7.1
165.05460	0.9
166.02640	0.8
167.03381	1.0
177.01863	2.2
179.03268	1.0
179.03865	1.0
179.05531	18.2
179.07025	1.3
185.06097	1.0
191.05563	1.1
195.06622	0.9
201.11250	1.1
211.03955	0.7
241.00119	0.7
243.16052	1.9
252.99501	0.7
259.45218	0.6
261.17126	2.5
272.06772	0.8
287.09283	1.4
305.06723	2.4
314.77936	0.8
334.05823	0.7
335.11340	0.9
363.16638	4.8
367.14154	2.5
423.06348	0.9
423.13049	3.6
423.17883	4.5
423.22565	36.0
424.22906	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	423.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00973	0.4
59.01244	6.3
61.42757	0.3
65.84795	0.2
67.01738	0.5
69.03309	0.4
71.01241	1.4
72.99159	0.5
73.02797	1.0
76.46040	0.2
78.95764	0.3
83.04864	0.7
85.02803	0.3
93.03325	3.8
99.00789	0.6
99.04386	0.5
111.04374	1.2
113.02304	1.2
120.71232	0.3
121.02823	0.4
125.02308	0.7
137.02306	0.5
155.03394	0.6
157.29689	0.3
161.07643	0.3
166.04715	0.3
173.04445	5.5
195.14105	0.3
203.52650	0.3
205.19562	0.9
210.06810	0.4
231.17546	0.8
243.13840	0.4
247.17130	0.6
249.08180	0.9
249.18596	100.0
250.18967	3.2
278.97232	0.3
279.23309	1.8
320.13586	0.3
325.18365	0.6
349.12915	0.4
367.13995	2.5
379.15668	0.9
423.15427	9.9
423.25296	0.5
424.15750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2391
Annotation	Dendronpholide G
Peak:m/z	Relative Intensity
57.03309	1.2
59.01246	2.7
60.99169	5.2
64.90871	0.3
65.03822	0.8
67.01750	13.2
67.35886	0.3
69.03315	4.5
70.82180	0.4
71.01239	4.6
72.99165	1.1
73.02808	1.0
76.28677	0.4
78.95734	0.4
81.03315	2.9
83.04880	2.5
85.02792	3.3
87.00732	22.3
93.00919	1.5
93.03314	100.0
93.26527	0.4
94.03653	1.6
94.65979	0.4
96.95870	0.7
97.76016	0.4
99.00731	1.8
99.04373	1.5
101.02293	0.4
109.02811	1.4
111.04380	15.2
113.02312	3.6
115.03844	0.8
117.03412	0.4
119.99615	0.4
121.02867	0.6
125.02307	1.9
127.03921	0.6
129.01828	3.1
137.02362	0.9
143.03389	1.1
145.02892	0.5
155.03401	3.9
158.07324	0.5
173.04463	50.4
174.04753	1.1
191.05540	20.2
211.68102	0.4
215.14294	0.6
219.01799	0.5
219.13814	0.5
249.18573	5.7
265.14740	0.8
280.57391	0.4
287.12903	1.3
299.10794	0.5
329.74359	1.3
349.12704	1.2
367.14008	4.6
379.28513	0.5
387.21887	0.6
395.13190	0.4
423.15125	2.1
423.16193	2.0
423.23837	72.3
424.24191	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	423.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48399	0.4
56.71711	0.2
57.03302	0.8
58.00459	0.2
59.01237	2.6
60.99165	0.4
67.01755	3.8
69.03316	1.3
71.01236	3.4
72.99159	1.2
73.02802	0.3
73.99157	0.2
78.95757	0.3
81.03328	1.2
81.03724	0.2
82.90553	0.3
83.01245	0.3
83.04873	1.2
83.90731	0.2
85.02806	1.2
87.00719	1.7
93.00821	0.5
93.03315	29.2
93.05533	0.4
94.03648	0.5
96.95857	0.6
97.02796	0.4
108.02042	0.7
109.02789	1.0
111.00755	1.1
111.04382	5.6
113.02332	1.6
113.09614	0.3
121.02812	0.6
125.02319	1.1
125.05984	0.3
127.03889	0.5
129.09143	0.3
137.02328	5.8
145.02881	0.3
147.59027	0.3
155.03392	5.5
172.98070	1.0
173.04460	100.0
173.10027	1.1
174.04768	1.8
191.05507	0.6
210.06908	0.3
215.14285	0.3
243.13962	0.5
247.16920	0.7
249.18597	19.8
250.18932	0.8
261.14771	0.4
287.12866	0.8
341.11002	0.3
349.12909	0.8
361.27496	0.3
367.13983	4.5
379.28406	0.6
387.21649	0.4
396.29318	0.4
423.15994	2.8
423.23831	4.3
423.27951	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.0
58.00462	1.0
59.01246	0.9
67.46545	0.2
68.37218	0.2
69.03317	0.3
70.49586	0.2
71.04883	1.4
72.99172	1.4
73.02805	0.5
73.18858	0.2
74.11324	0.3
83.04883	0.3
85.06474	0.3
92.02563	0.4
93.03324	0.4
97.02839	0.5
97.06455	0.7
99.08009	2.2
106.04079	1.2
106.86510	0.2
107.04897	0.6
108.32999	0.2
109.06425	0.6
111.08008	0.5
113.02341	1.9
118.89845	0.6
119.04900	0.9
121.02811	1.9
125.02312	1.8
127.11165	1.7
129.09103	0.9
133.06476	0.3
137.09616	0.5
139.11169	0.4
149.09639	0.7
155.10654	1.1
157.12242	2.8
158.07243	0.3
163.25426	0.3
163.81490	0.2
167.10667	0.5
177.09167	0.3
186.06747	0.3
187.13356	0.6
189.12785	0.4
191.14337	7.9
195.13849	0.3
203.14301	1.7
215.14383	0.5
217.12311	0.4
217.15933	0.3
219.13866	21.1
219.17186	3.2
220.14177	0.5
221.15411	0.9
231.17519	0.7
233.15453	0.3
235.13330	0.4
239.12981	0.4
243.13962	0.4
247.13567	0.6
247.17000	8.3
248.14267	0.4
249.14941	4.3
261.14951	0.3
261.18677	0.3
275.16299	0.3
277.18051	1.9
282.13559	0.3
285.22211	3.6
287.12866	0.9
288.13269	0.3
305.14117	0.3
313.25644	0.6
319.22974	0.3
325.25272	1.8
335.01672	0.3
341.24805	0.5
343.26498	1.7
347.25937	1.7
349.13055	0.7
357.24130	0.3
359.26022	1.0
361.27649	1.4
363.15042	0.4
367.14008	5.8
368.14532	0.4
369.75238	0.3
375.25427	2.7
377.27023	12.5
378.27396	0.7
379.28552	19.2
380.28928	1.0
395.13226	0.3
415.88635	0.3
423.15909	2.8
423.27557	100.0
424.27896	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	423.2755
Annotation	alpha-Phocaecholic acid
Peak:m/z	Relative Intensity
58.00445	0.6
58.50297	0.3
59.01247	0.7
65.94489	0.3
67.56047	0.3
71.04510	0.4
71.04878	7.7
72.99155	1.3
73.02811	3.1
73.25878	0.3
83.04879	2.7
84.34281	0.5
85.02763	0.4
93.03309	0.4
95.04890	0.7
97.02814	0.4
99.04367	0.4
101.05936	2.6
106.04122	0.9
113.02287	1.6
119.04927	1.8
121.02853	1.6
125.02307	1.4
130.06282	0.4
131.07014	1.0
133.06439	0.3
151.87979	0.4
175.11224	0.4
189.29323	0.3
189.83560	0.3
197.29860	0.3
199.44122	0.3
219.13890	0.4
233.14935	0.4
243.13625	0.5
245.19133	0.7
247.20654	7.8
248.20975	0.4
259.20706	2.4
273.18527	0.8
275.20190	28.2
276.20456	1.2
277.21738	0.5
285.22113	0.4
287.12808	0.7
289.21786	0.4
303.23071	0.4
305.14252	0.3
305.21240	5.7
313.25391	7.5
314.25693	0.6
319.22723	1.2
325.25323	3.9
329.24863	1.2
331.11765	0.4
331.22958	0.6
331.26688	0.4
339.23276	0.5
341.24857	0.9
343.26364	0.9
347.25803	0.7
349.12759	1.0
359.26028	0.8
361.27365	1.5
367.14023	4.4
375.25314	0.4
377.26938	9.5
378.27368	0.5
379.28546	14.0
380.28851	1.1
422.25858	0.4
423.27539	100.0
424.27933	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	423.2757
Annotation	alpha-Phocaecholic acid
Peak:m/z	Relative Intensity
57.03309	0.8
58.00453	0.5
59.01226	1.2
62.72739	0.4
63.06049	0.3
64.25694	0.4
69.03328	1.1
71.01231	0.5
71.04881	2.2
72.11786	0.4
72.99157	3.4
73.02801	1.0
73.94643	0.4
74.11272	0.5
76.36209	0.4
78.95760	0.7
85.02787	0.6
85.06426	0.5
92.02521	0.5
92.76254	0.4
93.03318	0.5
97.02814	1.0
98.43160	0.5
99.04433	0.5
99.07995	1.2
104.37144	0.4
106.04117	1.2
107.04882	0.5
113.02317	4.0
118.70716	0.5
119.04894	1.4
121.02834	2.2
125.02303	4.3
127.11144	1.4
137.02319	0.6
137.09618	0.8
149.09642	1.0
152.99406	0.7
155.10667	0.5
157.12209	2.1
158.07292	0.6
158.85783	0.4
187.13297	0.9
189.12851	0.6
190.78671	0.4
191.14336	6.0
203.14372	2.0
205.15913	1.4
215.14352	0.6
219.13860	23.0
219.17482	1.4
220.14317	0.9
231.17516	1.0
232.17644	0.5
233.15448	4.9
243.13861	1.4
247.13251	0.7
247.17024	5.3
248.14268	0.7
249.14977	3.9
253.05617	0.6
263.16537	0.6
277.18134	0.9
285.22287	5.0
287.12915	2.8
325.25293	0.9
341.25095	0.6
343.26520	2.0
347.26035	1.2
349.12982	2.7
359.25952	1.4
361.27466	1.4
367.14023	12.4
368.14511	0.7
375.25360	2.8
377.26993	13.3
378.27377	1.3
379.28546	10.7
380.29056	0.7
395.13663	0.8
422.26163	0.6
423.27545	100.0
424.27850	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	423.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50901	0.1
57.03322	0.2
58.99947	1.4
59.01242	100.0
59.02419	1.9
60.01575	0.9
66.38861	0.2
71.98988	0.2
93.03343	0.5
106.10321	0.2
112.54308	0.2
117.97249	0.2
119.19576	0.2
121.02863	0.8
221.57951	0.2
228.00273	0.2
256.69244	0.2
305.24966	0.4
319.26437	0.8
345.28006	3.6
345.32047	0.2
346.28558	0.2
363.29095	0.9
367.14203	0.4
416.65189	0.2
423.16183	0.6
440.97949	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	424.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45413	0.1
59.01232	0.8
60.01575	0.2
61.01670	0.2
61.97438	1.9
61.98692	100.0
62.00158	0.8
62.98407	0.2
69.03320	0.3
72.99175	0.6
94.92844	0.2
97.02798	0.3
112.62434	0.2
113.02316	1.5
114.02650	0.5
125.02330	1.3
126.02679	0.6
141.01828	0.2
153.17171	0.2
209.86732	0.2
364.17264	0.2
367.14111	0.5
368.14246	2.5
424.13370	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63040	1.1
53.08638	1.2
53.09135	1.0
58.39126	1.1
59.01241	13.7
59.87837	1.2
65.03823	1.3
65.12719	1.1
68.82486	1.1
71.01238	17.8
73.02789	1.6
75.00720	1.3
78.95762	2.6
81.72537	1.2
83.01248	1.9
87.00735	27.6
91.05409	2.1
93.03316	6.9
93.80787	1.3
94.31558	1.2
95.21928	1.3
96.11407	1.3
99.00780	1.4
101.02306	2.0
105.03337	5.7
107.04868	2.0
111.00752	3.1
115.00239	70.7
116.00571	1.8
119.04893	5.1
120.78533	1.2
121.02812	14.6
121.04149	1.5
123.04411	3.5
133.02820	7.1
135.04373	6.9
139.00264	2.3
139.03891	7.4
147.04402	5.2
149.02332	15.1
151.03848	1.8
157.01257	2.6
161.02342	3.7
163.03912	7.5
165.05496	1.6
167.03441	3.5
175.02402	70.3
175.03816	3.8
176.02756	2.7
177.01842	35.9
191.03438	11.3
193.01263	1.8
205.01318	14.0
206.02135	6.7
207.02884	11.2
218.02087	1.5
219.02948	72.8
220.03204	2.9
231.03104	2.6
233.00890	24.6
233.04504	1.7
235.02461	8.5
245.00876	2.0
245.04562	1.7
247.02451	15.4
249.00429	29.9
249.04047	21.2
259.02527	2.2
263.01974	100.0
264.02347	4.1
265.03522	10.8
267.27881	1.3
273.04202	1.6
275.01892	2.5
277.03574	7.7
291.01489	1.8
291.04984	1.4
297.75461	1.6
303.01431	3.5
307.00964	21.0
309.02722	2.0
321.02524	7.1
335.04160	1.8
337.05670	5.0
347.00143	3.1
363.03522	2.2
365.01450	20.2
365.12302	1.3
381.04703	4.2
397.04236	3.7
407.02481	4.0
407.07703	1.8
425.03616	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0399
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26761	1.0
56.26987	0.6
59.01243	18.2
61.72651	0.5
66.83228	0.4
71.01241	11.0
72.99172	1.0
73.02784	0.5
75.49805	0.5
79.95585	1.9
80.96365	1.1
83.01244	0.7
83.42278	0.6
83.57439	0.4
85.02810	2.2
87.00735	1.6
89.02296	17.4
93.03310	1.4
96.95870	67.7
96.98428	1.0
101.02300	8.8
109.02834	1.1
113.02304	6.9
119.03369	7.2
121.02015	0.9
121.02822	11.9
122.03146	0.6
131.03384	0.7
138.03137	0.8
139.03891	68.0
139.08205	0.9
140.04216	1.8
143.03410	1.1
161.04460	1.5
179.05542	4.9
183.02866	1.1
241.00221	31.1
242.00536	0.8
301.09299	6.0
345.08276	8.0
355.29932	1.1
381.04950	1.5
425.03995	100.0
426.04367	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	425.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21690	0.3
59.01247	1.8
62.79212	0.3
63.97182	0.2
71.01268	0.4
72.99169	0.7
78.95746	2.1
79.95587	1.4
80.94379	0.3
82.95252	0.8
89.02306	0.5
91.04514	0.3
93.03327	0.5
95.85674	0.3
96.93227	1.2
96.95868	100.0
101.02266	0.5
112.82086	0.3
115.00240	0.4
115.04994	0.4
121.02808	0.8
127.95098	0.3
128.03419	0.4
137.02274	0.5
158.92380	0.6
165.01836	9.7
175.02328	0.4
191.05502	0.4
203.08195	0.5
224.19612	0.4
327.07242	6.9
340.93970	0.3
425.14639	0.9
426.06915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0398
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26758	0.4
59.01241	1.3
64.53095	0.4
71.01235	1.7
72.99162	0.5
77.15929	0.3
78.42430	0.4
79.95586	3.1
80.71731	0.4
80.96376	1.6
85.02817	1.0
87.00741	1.2
89.02295	1.1
93.03317	2.1
95.95080	0.4
96.93316	1.6
96.95870	94.8
101.02304	1.4
109.02811	1.0
111.04376	0.8
113.02312	1.2
119.03349	0.4
121.02831	3.4
123.64276	0.4
137.02318	1.2
138.03127	4.6
138.96960	0.9
138.99493	0.8
139.03893	53.7
140.04227	1.7
151.03880	0.5
166.96371	0.9
181.05020	0.8
183.02876	0.4
186.20927	0.4
211.31859	0.4
222.99106	0.7
225.00697	0.7
234.84116	0.5
235.08949	0.4
241.00220	45.6
242.00581	1.6
257.80362	0.4
301.09317	11.8
302.09698	0.8
334.53061	0.4
355.29712	1.3
379.38306	0.5
381.04962	10.4
397.50974	0.4
408.57370	0.4
417.81857	0.4
422.09564	0.4
425.03995	100.0
426.04404	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	425.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.4
58.50355	0.3
59.01243	1.8
59.36502	0.2
69.03329	0.4
71.01236	3.4
71.04877	0.6
72.99165	15.9
73.02806	1.7
73.48109	0.2
75.00729	0.8
79.95589	1.3
80.02522	0.6
80.96376	0.7
83.01255	0.4
83.04884	0.6
85.02799	1.5
87.00733	0.3
87.04387	1.2
89.02312	0.6
89.52625	0.3
91.72752	0.6
93.03315	0.4
95.04900	0.6
95.95105	1.1
96.95858	1.5
97.02811	0.5
99.00754	0.3
99.04381	1.1
100.98675	0.6
101.02287	1.6
101.05945	0.8
103.00225	0.4
107.04890	0.9
107.99171	0.4
108.02029	27.9
108.05253	0.3
109.02361	0.5
110.33890	0.3
111.04365	0.8
113.02285	1.7
119.04877	0.3
121.02844	0.6
121.06434	0.5
123.04385	13.1
123.08064	0.5
124.04665	0.3
124.86017	0.3
125.02313	1.1
133.06496	0.7
134.03543	0.3
135.04388	0.4
137.02356	0.5
138.03110	0.7
139.03860	0.6
148.05122	0.6
149.02335	1.2
149.05969	12.4
149.09613	0.6
150.03171	0.4
151.03894	0.8
151.07523	1.1
151.11143	0.6
151.96210	0.8
152.01041	66.2
153.01370	1.0
159.04416	0.3
161.04335	0.3
162.03079	0.7
165.05432	0.5
165.12733	0.7
166.02579	0.7
166.97873	1.3
167.03403	100.0
167.09695	0.7
168.03732	2.6
175.11212	0.4
177.01909	2.9
177.05481	12.9
177.12712	1.0
178.02603	1.8
179.07050	0.3
179.10753	0.5
179.14394	0.4
180.04182	1.3
188.08279	0.4
189.12778	0.6
191.10652	0.4
192.04150	2.6
193.05002	5.2
195.06558	3.4
196.06863	0.5
202.06259	0.5
205.12321	0.7
207.13823	0.4
215.07086	0.4
217.12196	0.7
217.15883	1.0
227.14389	0.3
233.11757	0.6
233.15431	0.5
235.16966	0.9
239.05690	2.3
245.11765	0.9
245.15495	1.8
257.01331	2.7
260.10629	0.4
261.14844	0.6
263.12869	0.6
263.16422	0.5
271.13443	0.6
273.14514	0.4
277.14328	0.9
279.16037	0.7
281.14005	0.4
289.14441	2.1
291.16104	0.6
305.13983	3.1
307.15494	2.2
315.34027	0.3
317.13928	0.4
319.15363	0.4
323.15067	0.8
325.16360	0.9
333.13489	0.9
335.14981	1.3
351.14511	17.9
352.14740	0.5
353.15884	1.0
363.14407	2.9
368.14157	1.2
369.15268	2.1
381.15649	5.3
397.14966	2.2
407.13379	2.7
425.05658	6.5
425.13763	6.3
425.18445	1.7
426.05725	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.055
Annotation	Unknow
Peak:m/z	Relative Intensity
63.40485	0.1
67.01047	0.1
72.99157	0.2
79.95592	5.3
96.93056	0.9
96.95868	100.0
96.98334	1.6
97.95829	0.3
108.02020	0.2
110.97457	0.4
121.02829	0.2
134.03604	0.3
137.02315	0.9
150.03152	0.2
151.03885	0.4
166.02675	0.2
177.05467	0.4
178.02621	0.7
213.05518	0.6
221.04543	0.3
224.04752	0.3
225.05502	0.2
241.05060	1.9
256.07455	0.5
285.35403	0.2
297.04074	0.4
300.06406	1.3
301.06973	0.3
312.06357	0.3
315.08746	0.7
327.08667	0.2
345.10077	0.4
351.14395	0.3
355.29120	0.2
425.05533	30.4
426.05795	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56104	0.1
59.01224	0.2
59.18940	0.2
67.97742	0.1
71.01243	0.6
72.99165	2.3
73.02801	0.7
79.95592	2.0
80.69434	0.1
81.66305	0.1
85.02802	0.3
96.93527	1.3
96.95869	100.0
96.98569	1.2
97.45390	0.1
97.95810	0.2
101.02324	0.2
101.73185	0.1
108.02031	0.1
111.04366	0.2
113.02306	0.4
121.02814	0.2
121.06454	0.2
123.04398	0.2
123.07996	0.2
125.02333	0.3
133.06447	0.2
135.04338	0.2
137.02306	0.2
138.03093	0.2
139.03879	0.4
149.05977	2.9
151.03918	0.2
159.04413	0.2
162.03259	0.2
165.01862	0.3
165.05479	0.2
167.03525	0.2
177.05475	3.2
177.12784	0.3
179.10648	0.2
195.06528	0.2
198.23102	0.1
203.03506	0.2
207.02966	0.2
209.04500	0.3
213.05360	0.2
215.10828	0.2
216.11464	0.2
217.12094	0.2
217.15916	0.3
233.11832	0.3
239.05664	0.4
241.05116	0.4
245.11690	0.2
245.15361	0.5
261.15097	0.2
271.13431	0.1
277.14566	0.2
279.15915	0.2
289.14478	0.6
300.06412	0.4
305.13937	0.8
307.15472	0.4
315.08673	0.3
323.14951	0.2
333.13336	0.2
351.14496	4.2
381.15649	0.4
424.13333	0.2
425.05530	11.0
425.14044	2.5
426.05960	0.6
437.13104	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	425.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	2.3
60.74405	0.3
67.35399	0.4
67.57153	0.4
68.47002	1.4
68.47398	0.7
69.03319	1.0
70.85678	0.5
71.01240	1.5
71.88561	0.4
72.99135	0.8
76.96853	1.5
78.95761	1.2
81.03300	0.7
82.95261	3.0
83.01235	0.9
83.04873	1.3
85.02804	9.2
87.00742	2.3
93.03323	7.7
94.97906	5.1
96.95846	0.5
96.96820	0.8
99.04357	1.6
99.58995	0.4
109.02795	2.7
111.00742	1.5
111.04378	4.1
113.02319	3.0
118.97908	1.6
125.02316	0.9
127.03915	2.3
137.02328	3.3
143.03381	0.7
155.03381	1.7
171.01106	1.5
171.02817	0.9
173.04500	3.7
180.71274	0.4
185.11052	0.4
191.05539	75.7
191.12239	1.0
192.05862	1.7
196.99101	0.6
215.00150	2.1
231.46860	0.5
231.51457	0.4
232.47597	0.4
232.97519	1.1
233.01193	11.1
251.02281	6.4
275.02264	0.5
283.43704	0.5
293.03384	2.0
344.05966	0.5
368.14255	1.3
369.14420	0.7
389.05527	1.8
407.02036	0.7
407.06775	3.6
425.07611	100.0
426.07776	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	425.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06523	1.0
57.03311	7.3
59.01237	5.4
67.01744	1.9
68.99654	2.1
69.03318	8.2
71.01237	12.3
71.04897	1.7
72.99167	23.5
73.02805	6.7
73.47801	1.1
79.05412	1.1
81.03313	5.4
83.01257	1.8
83.04893	1.7
85.54028	1.1
85.73286	1.1
91.05394	1.4
93.03341	7.9
95.01247	4.6
95.04888	23.1
96.95868	18.6
97.02815	15.1
99.04370	2.3
99.08022	2.3
105.06978	1.6
106.04070	1.8
107.04901	10.4
108.02035	1.5
109.02825	3.5
111.04389	17.1
113.02303	3.7
115.03882	1.7
119.04890	12.6
121.02826	4.6
121.06490	1.8
122.41952	1.2
123.04405	4.1
123.08067	1.7
124.01528	2.1
125.02324	5.5
125.09597	4.4
127.03881	1.6
128.06190	2.0
129.09097	7.4
130.04120	3.0
131.04912	4.3
132.05708	1.7
133.06509	2.0
134.03610	3.0
135.04399	47.4
137.02367	2.0
137.06003	3.1
138.03123	4.5
139.03897	58.7
139.07600	1.8
141.01846	1.9
145.02863	2.4
146.07265	3.4
147.04425	2.9
148.05226	3.3
149.01198	1.4
149.02370	3.5
149.05968	54.0
151.03903	4.0
151.07495	2.7
153.01823	1.5
153.09181	1.9
156.05705	3.5
157.06436	1.5
158.07309	1.6
159.04391	8.9
161.13242	6.8
162.03127	1.8
163.03917	25.1
163.11243	2.4
164.04282	1.6
165.01910	1.7
166.02603	4.0
167.03416	14.3
167.07008	3.3
171.11693	4.8
173.06041	3.0
173.09648	3.2
174.03175	3.1
174.06752	10.1
175.03900	2.9
175.11189	1.7
177.05482	53.5
177.09013	1.4
177.12743	3.6
178.02667	1.7
179.03418	6.8
179.10620	2.1
179.14339	2.6
181.04962	13.2
181.08540	1.6
183.02902	16.8
185.13222	1.9
187.03961	5.0
187.11276	4.4
187.14830	1.8
189.12799	5.4
191.06993	1.5
191.10771	1.7
193.05023	8.3
195.06616	3.5
195.10048	1.5
197.02382	2.2
197.08156	1.6
198.10390	2.7
201.09151	2.6
201.12772	1.4
203.10748	1.9
203.14389	10.9
205.12283	4.1
207.02930	45.6
207.13870	2.0
208.03279	1.8
211.06143	2.7
213.01962	2.1
213.04019	2.3
213.12801	11.7
215.03479	3.8
216.11411	1.8
217.12283	4.1
217.15996	3.0
218.05836	1.4
221.00877	1.7
221.04356	1.6
229.01443	1.6
229.12277	3.0
231.10329	6.5
231.13927	14.8
233.11877	2.7
233.15530	2.2
235.17062	2.7
239.05666	8.7
243.02934	6.4
245.11809	2.9
245.15486	5.1
247.13445	3.0
249.14948	1.9
251.01947	7.3
257.11880	2.0
258.01709	3.0
259.02475	24.7
261.14969	1.7
265.14328	1.7
271.13428	2.3
273.04260	1.5
275.12781	8.8
277.14426	2.4
279.16037	3.1
287.01965	16.1
289.14444	9.5
293.10776	1.4
293.14032	3.7
297.04166	2.5
305.13940	13.9
307.15353	6.1
309.16968	2.0
323.15292	2.8
333.13580	3.8
337.13089	2.4
351.14499	71.6
352.14969	4.2
379.77753	1.6
381.11960	100.0
382.12518	6.6
425.05511	25.3
425.10580	5.0
425.14752	6.4
425.18814	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	425.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	2.0
58.79422	0.8
59.01228	1.2
67.01730	0.4
69.03308	0.7
71.01244	3.4
71.04874	0.9
72.99168	7.8
73.02818	0.8
79.95587	0.7
81.03302	2.5
83.01227	3.4
93.03328	2.8
95.01208	0.8
95.04870	4.0
96.95869	24.4
97.02808	6.7
101.18959	0.5
107.04879	1.3
108.02024	7.0
109.02818	30.2
110.03106	0.5
111.04365	1.5
113.02294	0.7
119.04861	1.0
121.02818	4.6
121.06470	0.8
122.03648	2.5
123.00734	0.6
123.04392	21.2
123.07986	0.6
124.01525	1.4
125.01447	0.9
125.02320	14.7
131.04912	0.5
133.06458	0.9
134.03621	0.9
135.04388	4.6
137.01309	0.9
137.02321	15.5
138.03114	2.3
139.03889	8.3
141.01801	1.0
145.02798	1.9
145.03841	0.5
146.03648	2.3
147.04390	2.1
147.59308	0.5
148.05142	1.0
149.02344	9.5
149.05968	17.3
150.03123	10.0
150.06291	0.7
151.03897	18.1
151.07491	0.7
152.04279	0.6
157.06566	0.9
158.03534	0.7
159.04442	4.3
160.05209	2.4
161.02316	4.2
161.05975	6.6
162.03110	13.5
162.92946	0.5
163.03940	2.9
164.01044	4.7
165.01845	6.5
165.05472	10.3
166.02531	1.6
167.03375	2.6
169.83026	0.5
173.04611	0.6
173.06023	1.2
174.03085	0.7
175.03935	3.7
175.07544	1.7
176.01067	1.0
177.01918	2.4
177.05479	19.0
178.02596	1.3
179.03410	13.9
180.04193	28.4
181.04559	0.9
185.05991	1.5
187.03923	5.9
188.04709	4.5
191.03445	1.9
193.04971	2.5
194.05774	2.2
195.06560	68.2
196.06879	2.2
199.07640	0.8
201.05513	1.0
202.06290	1.9
203.03384	1.0
203.07074	16.4
205.05019	9.7
213.05568	2.0
214.06349	0.7
215.07104	10.2
217.08621	1.0
217.12389	0.9
217.15904	0.6
219.06383	0.5
221.08130	2.5
227.07207	2.3
229.04948	0.7
230.05783	1.1
231.03110	0.6
233.15494	1.3
235.17009	0.6
239.05603	1.8
245.08186	17.4
245.11862	0.8
245.15445	1.1
247.06126	1.2
255.06172	0.6
257.05740	0.6
257.08069	3.0
261.07782	1.1
271.06015	1.0
273.07657	0.8
277.14282	0.6
279.15680	0.7
289.07199	100.0
290.07626	4.6
301.07172	15.6
302.07507	0.7
305.13980	4.1
307.15491	1.7
315.08664	0.7
323.14926	0.8
333.13397	1.4
351.14511	20.9
352.14850	0.8
359.11493	0.7
371.11618	0.7
381.13062	1.1
425.05615	4.7
425.12701	16.4
425.18069	1.2
426.12872	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32380	0.4
57.03307	1.3
59.01224	1.0
67.29814	0.5
69.03296	0.8
70.51339	0.5
71.01249	3.5
71.04862	1.3
72.99166	8.3
73.02802	1.1
78.38895	0.4
81.03319	3.2
83.01252	3.3
83.04884	0.9
85.02821	0.6
89.69844	0.5
93.03308	2.1
95.01248	1.4
95.04891	3.9
96.95878	6.5
97.02811	8.4
99.04397	1.0
102.20258	0.5
107.04875	1.0
108.02035	7.1
109.02815	29.5
111.04362	1.6
113.02312	1.1
119.04951	0.8
121.02824	5.3
121.06509	0.7
122.03606	3.6
123.04386	19.9
123.07949	0.6
124.01546	1.1
125.02311	14.9
125.05883	0.7
133.02837	0.9
133.06436	1.0
134.03584	1.2
135.04414	4.3
137.02321	15.3
137.03372	0.7
138.03101	2.6
139.03888	8.9
141.01817	0.5
145.02855	1.5
146.03636	1.4
147.04402	1.4
148.05133	0.8
149.02328	9.2
149.05966	20.0
150.03088	1.8
150.06430	0.5
151.03891	12.9
152.12500	0.5
157.06532	0.5
158.03705	0.6
159.04410	3.8
160.05180	2.4
161.02313	2.9
161.05957	6.4
162.03131	3.8
163.03882	2.9
164.01018	3.4
165.01849	4.9
165.05478	1.7
166.02591	1.2
167.03403	2.2
173.06004	2.0
174.03120	0.7
175.03932	2.8
175.07544	1.4
175.11147	0.5
176.01076	0.9
177.01976	2.3
177.05482	18.3
178.02664	0.9
178.05917	1.1
179.03394	8.8
180.04204	3.0
185.05969	1.3
187.03949	5.4
188.04715	4.5
189.12743	0.8
191.03392	1.2
193.05006	1.9
195.06538	5.7
197.06039	1.0
201.05499	1.2
202.06305	1.9
203.03391	0.7
203.07080	16.1
205.05003	10.6
211.06137	0.6
213.05511	2.5
214.06377	0.7
215.07082	8.9
215.14288	0.8
217.08624	1.0
217.12209	1.0
217.15817	1.0
221.08270	2.7
227.07094	2.0
230.05811	1.4
233.11841	1.1
233.15488	0.8
235.17204	0.6
239.05521	2.6
243.13728	0.6
245.08167	14.4
245.11870	1.1
245.15440	1.4
246.08569	0.9
247.06091	1.5
257.08273	3.2
261.07642	0.8
261.14890	1.0
271.06277	0.9
273.07785	1.0
279.15930	1.5
289.07193	100.0
289.13901	3.4
290.07520	5.0
301.07175	16.6
302.07748	0.6
305.13937	4.3
307.15500	1.9
315.08646	1.2
323.15164	0.6
333.13406	1.5
351.14487	21.0
352.14780	1.4
363.14468	1.0
381.12997	0.7
425.05383	2.8
425.12888	15.3
426.12799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77616	0.4
56.33565	0.4
59.01226	1.3
69.03302	0.5
69.38319	0.4
70.33752	0.4
71.01229	0.6
71.04865	1.9
72.99167	31.4
73.00796	0.5
73.02799	2.3
83.04867	1.2
85.02815	0.9
95.04877	1.4
96.37164	1.1
96.37811	0.9
99.04331	0.7
101.02240	0.6
106.87852	0.5
110.03609	0.5
113.02305	5.9
119.92863	0.5
121.02823	1.0
121.06444	1.0
121.10075	0.7
123.04396	0.5
123.08005	2.1
125.02322	1.8
130.04138	0.7
132.93622	0.5
132.98071	0.5
133.06459	0.8
138.03140	0.6
141.01801	1.1
147.04523	0.5
149.02321	2.5
149.05949	4.3
149.09564	1.2
151.03896	0.5
151.07504	0.9
151.11115	0.7
151.23593	0.4
158.03668	0.5
159.04401	6.5
159.07990	0.6
161.05949	0.9
163.11215	0.7
165.12712	1.1
167.03413	0.5
177.05486	3.7
177.12759	5.1
179.10648	0.9
179.14337	4.7
185.02321	0.8
188.08328	0.8
189.12743	1.6
191.07057	0.6
191.14232	0.7
193.04962	2.2
203.03375	2.9
203.14322	0.8
205.12187	1.2
205.15904	1.5
205.21173	0.5
207.13802	2.2
207.17447	4.3
213.05539	0.6
214.06348	1.4
215.14384	1.9
216.11517	8.7
217.12137	0.6
217.15897	5.5
219.06587	0.7
227.14343	2.6
233.11835	5.1
233.15404	3.9
235.17020	8.2
239.05495	0.6
245.15471	14.7
245.50227	0.6
246.15588	0.6
249.14929	1.1
259.13080	0.6
260.10532	7.6
261.15015	0.8
263.16544	2.7
271.13455	6.5
272.40347	0.5
277.14383	2.4
279.16006	5.9
289.14453	3.7
300.02753	1.1
305.14139	2.3
307.15570	10.1
316.18500	0.5
333.13501	6.1
351.14508	73.8
352.14902	4.1
425.14575	100.0
426.14874	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	425.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25430	0.6
53.48447	0.6
55.01744	0.5
57.03306	1.2
59.01246	3.4
69.03317	0.8
69.46128	0.5
71.01244	4.2
71.04868	1.6
72.97541	0.7
72.99167	50.6
73.00948	0.8
73.02790	2.2
75.00710	0.7
78.95743	1.8
83.04881	1.0
85.02795	1.5
89.02271	1.1
95.02491	0.5
95.04892	1.3
97.02794	1.7
101.02256	1.2
106.04099	0.6
107.04864	1.1
111.00735	1.0
111.04375	2.0
113.02306	8.1
117.09505	0.6
117.69590	0.6
119.04819	0.8
121.02831	1.1
121.06464	1.0
123.04366	1.7
124.01546	0.6
125.02315	5.2
133.06439	1.4
134.03584	0.7
139.03859	2.6
141.01828	1.1
145.06444	0.8
148.05150	0.7
149.02373	2.8
149.05954	17.8
149.09549	1.0
151.03909	1.3
151.07486	1.1
151.11230	0.6
153.09068	1.3
159.04419	1.3
161.05968	1.7
161.13269	0.7
163.11073	1.1
165.01741	0.7
165.12715	0.7
166.02707	0.8
175.03876	0.9
176.04688	1.2
177.05498	15.5
177.08978	0.7
177.12712	1.6
179.10660	1.6
188.04578	0.7
189.12758	0.8
191.10651	0.7
193.04961	2.4
195.06560	4.0
201.12628	0.8
203.03441	0.9
205.12265	2.4
207.13843	0.7
209.11711	0.8
211.05972	0.8
212.80923	1.4
213.05508	0.6
214.06276	0.9
215.14337	0.8
217.08662	1.7
217.12344	1.7
217.15869	2.4
219.13841	1.1
221.04491	1.4
223.09729	1.7
227.14563	1.0
229.15985	1.2
231.13756	0.8
233.11935	1.0
233.15402	1.6
233.93927	0.6
235.16982	1.2
239.05585	1.7
243.13890	1.3
245.11777	2.0
245.15465	3.2
247.17068	1.0
249.14972	0.6
255.13751	0.8
257.04565	0.9
257.15405	0.8
259.13364	0.8
260.10400	0.8
261.14862	2.1
263.12808	1.2
271.13312	3.1
273.14871	0.8
277.14478	1.4
279.15948	0.9
284.03510	0.9
287.12875	0.8
289.14413	5.4
291.16034	1.2
301.14334	1.2
305.13953	5.9
307.15552	4.3
309.17117	0.7
315.12494	3.7
319.15356	1.2
323.15067	2.7
333.13519	4.9
335.15015	3.0
345.13406	1.0
351.14514	36.2
352.14844	1.0
353.16086	5.0
363.14563	0.7
381.15469	2.2
389.16519	0.7
390.81653	0.7
407.13519	3.5
425.14481	100.0
426.14709	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	425.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39225	0.6
51.90421	0.6
54.58216	0.6
54.64882	1.1
57.03311	1.0
58.14390	0.5
58.50348	0.9
59.01234	1.2
60.54350	0.9
63.24562	0.6
70.61176	0.6
71.01236	9.3
71.04871	1.7
72.99164	22.6
73.02799	1.7
73.13651	0.6
74.71197	0.6
75.80138	0.6
81.73145	0.7
83.04899	1.2
85.02832	0.7
93.03328	1.7
95.04887	1.3
97.02801	1.2
99.04368	1.1
101.02330	0.7
107.04880	1.2
108.02023	13.0
109.02822	0.8
111.04391	4.3
113.02314	3.5
121.02815	1.3
121.06442	2.2
123.04400	6.1
123.08052	1.1
125.02301	3.3
133.06505	2.3
134.03616	2.8
135.04431	1.0
137.02336	0.9
138.03107	4.1
139.03894	2.8
141.01857	1.5
145.06429	0.7
148.05171	2.7
149.01236	1.0
149.02351	2.7
149.05968	73.2
150.06277	2.7
151.03970	4.2
151.07555	1.9
151.11205	1.1
152.01038	31.5
153.01523	1.0
159.04417	1.7
162.03186	0.7
165.01843	1.4
165.05504	1.2
165.12747	0.9
166.02608	4.3
167.03400	54.0
168.03732	1.6
175.03889	1.9
175.11224	0.8
176.04636	0.7
176.99374	1.0
177.05484	67.2
177.12656	4.6
178.05801	2.0
179.07005	0.9
179.10754	1.9
179.14426	0.7
187.07486	0.8
189.12706	0.9
193.05013	7.8
195.06549	2.8
203.03506	1.0
205.12169	1.2
205.82854	0.7
207.10391	0.7
207.13826	1.0
207.17537	1.7
211.06091	1.6
215.14293	1.3
216.11507	1.0
217.12437	3.5
217.15988	3.4
221.04568	1.1
227.14418	1.0
231.13702	0.8
233.11777	1.9
233.15392	3.1
235.17003	2.1
239.05586	12.3
243.13797	1.4
245.11804	2.9
245.15367	4.0
257.15564	0.8
260.10519	2.1
261.14981	2.4
263.12909	0.8
263.16614	1.1
271.13458	2.4
277.14462	2.9
279.12418	0.9
279.15961	3.9
289.14474	12.6
305.13959	20.1
307.15546	8.0
323.14984	4.1
333.13327	4.2
351.14514	100.0
352.14853	6.7
361.93942	0.9
368.14392	1.0
369.14508	3.9
371.37625	0.8
425.05826	4.1
425.14392	4.6
448.52655	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	2.2
59.01230	3.4
59.49830	0.9
69.03310	3.0
71.01231	2.7
71.04871	2.2
71.06367	0.8
72.97480	1.3
72.99165	100.0
73.02808	4.6
75.00729	7.4
77.43066	0.9
83.04868	5.3
84.93945	0.9
85.02791	2.7
86.74293	0.9
87.04376	9.0
94.68886	1.1
95.04882	2.6
97.02827	1.3
99.00720	1.2
99.04375	6.7
100.98661	4.5
101.02303	3.2
101.05945	8.6
103.00207	1.7
103.03844	2.2
109.02837	0.9
111.04349	1.5
113.02280	1.3
113.05947	1.0
121.02815	1.9
123.08018	1.4
125.09533	1.3
129.18040	0.9
133.06416	1.9
137.02280	2.1
139.03824	1.1
146.86850	1.1
149.05997	3.1
149.09612	2.2
151.07503	4.7
151.11177	6.6
159.04373	1.7
163.11189	1.4
165.12737	4.8
175.11311	1.2
177.05447	3.7
177.12801	4.3
179.07022	1.7
179.10686	3.1
179.14423	1.4
181.12180	1.7
189.09155	1.2
189.12784	1.3
191.10721	2.4
193.12321	2.5
193.14012	1.0
195.06581	3.8
195.13850	1.4
202.06181	1.9
203.10893	1.2
205.12289	4.0
207.10240	2.2
212.81107	1.7
215.07213	1.3
215.10565	1.2
217.12395	2.3
217.15912	3.6
219.13870	1.3
219.17436	3.0
223.13338	2.4
229.15733	1.2
233.11789	2.3
233.15382	1.6
235.17014	2.1
239.12872	2.6
245.11743	1.2
245.15485	6.9
247.17021	2.5
259.13577	1.0
260.10327	1.1
261.15100	2.5
263.16614	6.0
267.12350	3.3
271.13254	1.2
273.14877	5.2
275.16565	1.3
277.14511	2.9
279.12503	1.3
279.15747	1.2
289.14481	3.3
291.15945	6.3
295.11758	1.3
307.12164	1.7
307.15323	6.4
309.17148	2.0
317.13953	1.6
319.15396	2.2
325.16559	7.3
333.13379	2.1
335.14996	13.6
336.14966	1.4
351.14493	24.3
352.14984	1.7
353.16064	8.7
363.14560	22.8
369.15512	9.9
381.15601	44.8
382.15710	1.3
397.15009	17.9
407.13498	29.2
408.14047	2.0
425.14545	67.7
426.14890	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	425.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.6
59.25613	0.5
59.47803	0.4
65.00180	5.1
67.01739	1.6
68.69274	0.5
68.99688	2.6
69.03307	2.1
71.01224	1.9
72.99167	39.4
73.00798	0.5
75.00726	1.0
77.03820	1.5
81.03300	1.6
83.04848	0.6
92.99669	2.4
93.03313	4.5
93.12900	0.5
95.04876	1.5
96.34628	0.6
96.95873	12.5
96.96837	0.9
97.02827	0.5
99.07989	1.6
101.02287	0.5
105.03309	1.6
106.04118	0.6
107.04875	1.9
108.02007	0.9
109.02810	0.9
121.02827	16.3
121.06412	0.9
123.04393	2.9
125.09589	1.1
127.07533	0.7
128.40543	0.5
129.09113	1.2
133.02875	1.0
133.06386	0.5
133.40999	0.5
134.03546	1.0
135.04396	3.6
136.01584	0.6
137.06038	1.2
137.09534	0.7
139.03886	0.7
143.04924	1.1
144.05589	0.9
145.02771	1.0
145.06505	0.7
147.00754	0.7
147.04393	1.1
149.02335	33.4
149.05899	1.4
149.07053	0.8
149.09651	0.8
150.03058	0.8
151.03886	1.9
151.07597	0.9
153.09140	0.8
154.29959	0.5
156.05696	2.5
157.06558	0.6
158.07295	1.4
159.04411	1.8
160.30910	0.6
161.02330	1.7
163.03937	3.2
165.05469	1.8
165.09151	0.7
167.03410	5.0
167.07007	1.1
171.04330	1.3
172.05191	2.3
173.02354	0.5
173.05977	2.3
173.13277	1.0
174.03127	0.9
174.06732	1.4
175.03969	1.7
176.04626	1.2
177.01849	100.0
178.02275	2.9
179.03427	3.6
181.08655	0.7
184.05183	2.7
185.02243	0.6
185.05965	0.6
185.09782	0.7
186.06805	1.0
187.03947	2.1
188.04622	0.8
189.01804	1.3
189.05487	3.2
189.09207	0.9
190.02632	1.1
190.06352	0.8
191.03435	1.6
193.01340	0.8
193.04993	1.0
197.08139	2.2
197.13168	0.6
199.03932	0.9
199.07536	0.7
200.04747	3.6
201.05458	2.7
201.12828	2.3
202.06273	2.6
203.03387	0.8
203.14355	1.3
205.01373	4.0
206.02171	1.6
207.10323	0.8
209.04514	6.6
211.03951	0.9
212.04726	1.8
213.12857	3.6
214.09981	0.9
215.03421	1.0
215.10735	2.0
215.14355	1.8
217.04987	0.9
217.12251	1.1
218.02281	0.7
218.05829	1.5
219.13924	1.0
221.04553	1.0
223.06030	1.1
227.03459	1.0
228.04280	1.6
229.04967	1.1
229.12337	3.3
230.05783	2.4
230.09595	0.7
231.13914	3.3
233.15457	1.2
241.12260	5.2
242.09505	1.2
243.13892	1.5
245.11807	1.2
246.05403	0.8
246.12656	2.0
247.13449	1.3
256.03824	1.2
257.11810	6.9
259.10632	0.9
259.13351	5.4
261.14984	1.6
269.11844	10.5
274.05234	0.6
275.09671	0.7
275.12848	5.4
277.14459	1.2
285.11331	3.2
287.12924	12.1
291.02945	0.6
291.12326	0.8
293.13858	0.6
301.11133	1.2
303.12387	2.4
305.13889	1.1
313.10870	5.6
317.13959	0.8
319.11877	13.5
329.10510	1.3
331.12030	3.3
335.11292	0.8
347.11374	11.8
349.12900	2.8
351.14539	1.7
353.12564	1.3
357.09601	2.7
365.12314	1.9
372.27603	0.5
375.10843	4.9
393.11945	13.4
425.07880	3.9
425.18979	4.1
426.08362	0.7
434.55966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76867	0.7
56.76405	1.0
59.09228	0.9
63.63437	0.8
65.00178	4.2
67.01753	2.2
68.99678	1.3
69.03303	2.3
71.01250	1.6
71.04883	1.1
72.99165	34.2
77.03832	1.9
81.03301	2.1
83.04887	2.4
93.03323	3.7
95.04903	1.5
96.95879	6.3
97.02803	1.3
99.00744	2.1
99.08006	1.6
105.03354	2.0
107.04876	1.6
111.04326	1.1
119.04902	1.3
121.02823	15.8
123.04366	2.6
133.02855	1.5
135.04391	1.9
137.05936	1.4
145.02786	1.2
147.04376	2.2
149.02327	33.0
149.05959	1.4
151.03900	1.5
156.05569	1.1
159.04338	1.1
161.02342	1.3
163.03937	2.2
165.05453	5.7
167.03389	3.7
167.06967	1.5
170.40250	1.1
172.05229	2.5
173.05957	1.6
175.03789	1.0
177.01848	100.0
178.02328	3.5
179.03426	1.1
183.04518	1.8
184.05229	2.2
185.05972	1.1
189.05452	2.3
190.02605	1.3
191.03497	1.7
191.94923	1.1
193.01378	1.1
197.08119	1.7
200.04773	2.5
201.05473	3.2
201.12770	2.1
202.06290	1.6
203.03712	1.1
205.01341	5.4
206.02083	1.9
209.04468	4.8
212.04845	2.0
213.01897	1.1
213.12804	2.0
215.10680	3.0
215.14302	2.2
218.05713	1.2
219.13954	1.3
229.12373	2.9
230.05840	2.5
231.13939	3.2
235.10118	1.1
241.12288	4.3
242.09453	1.5
243.13824	1.8
257.11859	6.2
259.13403	5.9
262.04749	1.4
269.11819	9.7
275.12857	5.3
285.11502	2.1
287.12845	9.2
303.12253	1.7
305.13754	1.3
313.10809	5.1
319.11935	12.2
331.11795	2.4
333.09308	1.3
347.11334	6.1
348.11649	1.5
349.12833	2.4
351.14566	3.8
353.02557	1.2
357.09760	2.3
369.01941	1.2
375.10837	3.8
393.11966	11.5
407.13437	4.6
425.14587	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64899	1.5
57.03310	0.6
58.73635	0.6
59.01251	0.8
60.54338	1.5
62.23409	0.6
64.53178	0.6
68.99685	0.8
69.03311	0.8
71.01241	10.2
71.01595	1.0
71.04881	1.6
72.99168	27.7
73.02814	1.7
77.48149	0.7
81.03335	1.0
83.04887	1.3
91.07488	0.7
93.00040	0.7
93.03352	2.1
95.04880	1.4
95.60667	0.6
96.95886	4.6
97.02831	1.1
99.04388	0.8
106.04151	1.2
107.04894	2.2
109.02821	1.8
111.00763	1.2
111.04375	3.3
113.02297	3.8
119.04895	1.1
120.05707	0.7
121.02837	2.3
121.06480	2.2
121.10104	0.8
123.00723	1.0
123.04394	1.0
123.08051	2.6
125.02325	3.3
133.02792	0.9
133.06474	2.5
134.03632	2.7
135.04428	1.3
137.02356	2.5
138.03085	5.0
138.90288	0.6
139.03902	2.7
141.01830	2.0
146.03592	0.7
147.04419	1.3
148.05145	3.5
149.01213	1.2
149.02328	4.6
149.05974	71.7
149.09569	1.5
150.03156	1.8
150.06335	1.4
151.00337	1.1
151.03888	4.3
151.07526	2.7
151.11154	0.8
152.01033	2.2
153.01822	1.0
159.04410	1.6
161.02339	1.1
161.13281	0.7
163.03874	0.6
163.11299	0.8
164.01009	1.3
165.01848	3.0
165.05495	0.7
166.02603	5.1
166.29457	0.7
167.03389	3.1
167.07111	1.7
167.10770	0.8
173.09714	0.7
174.03108	1.1
175.03929	1.0
175.07582	0.9
175.11189	1.6
176.04738	1.0
177.01993	1.9
177.05487	68.6
177.08768	1.5
177.12613	4.4
178.02646	2.6
178.05894	2.0
179.03456	1.0
179.10738	3.0
179.14365	1.2
189.12747	1.9
191.03548	0.8
191.10811	1.0
192.04297	0.7
193.01273	0.7
193.04985	8.2
195.06544	3.6
201.12785	2.3
203.03473	1.0
203.10724	1.3
203.14395	0.9
204.04300	0.9
205.08806	0.7
207.10233	1.6
207.13832	0.9
207.17450	1.3
211.06146	2.0
214.06302	1.2
215.14392	1.3
216.11502	1.5
217.12430	3.4
217.15988	3.0
221.04515	1.2
227.14372	1.0
229.12331	0.8
231.10269	3.1
233.11763	2.1
233.15405	5.1
235.09818	1.1
235.17075	2.4
239.05589	12.0
243.13960	0.8
245.11864	3.9
245.15424	5.2
246.57542	0.8
247.17072	1.2
249.11403	4.5
249.15021	1.0
251.12859	0.7
257.15656	0.7
259.17084	1.3
260.10571	2.0
261.11395	1.1
261.15039	3.1
263.09500	1.2
263.12875	1.6
263.16583	1.6
271.13400	2.3
277.14508	2.8
279.12332	1.7
279.16116	3.6
287.12701	1.1
289.11169	0.7
289.14490	11.2
290.15009	0.7
305.13983	23.0
305.17450	1.4
305.64792	0.9
306.14304	1.1
307.11850	5.3
307.15521	7.6
317.17584	0.9
323.14914	4.9
333.13531	4.5
335.18591	1.1
337.09280	1.7
337.13095	1.7
351.14520	100.0
352.14963	4.8
353.12469	2.9
381.11929	7.9
382.12283	1.0
424.13370	0.8
425.07565	2.0
425.13824	3.3
425.18860	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	425.1458
Annotation	Bruceine H
Peak:m/z	Relative Intensity
59.01226	2.1
61.98692	0.9
71.01236	1.0
71.04845	0.8
72.97387	0.9
72.99167	60.8
73.02793	2.0
80.13191	0.7
85.02798	1.1
85.21656	0.6
89.00399	0.7
91.73413	0.7
95.04880	1.5
96.95861	2.4
96.96807	1.1
97.44692	0.6
99.04407	1.1
101.02294	0.8
113.02293	4.2
121.02840	1.1
125.02320	1.2
133.06477	3.7
135.08026	3.2
139.03877	2.0
151.07512	3.3
154.07756	1.5
159.11728	0.9
161.05965	1.8
172.08800	1.1
175.11160	1.3
177.05457	0.9
179.10689	1.0
189.12691	1.0
190.09904	0.9
198.06783	1.6
203.07144	1.0
211.14859	4.1
212.80980	1.9
216.11389	0.8
227.14377	0.9
229.15962	4.4
231.06625	0.8
245.15503	2.9
247.17126	1.8
255.13766	3.5
261.14893	1.1
262.77496	0.7
263.16528	1.4
273.15054	3.0
289.14398	3.0
291.15768	0.9
305.14044	0.9
307.15454	5.6
317.13937	2.9
363.14471	1.4
381.15610	7.4
389.18686	1.0
407.13480	7.1
425.14569	100.0
426.14624	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	425.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66379	0.4
57.03295	0.8
58.00445	0.4
58.15865	0.3
59.01242	4.9
65.03804	0.7
69.03301	0.8
71.01239	2.9
71.04890	0.7
72.99159	0.6
73.02805	18.4
81.03339	1.9
83.01257	0.5
83.04874	7.3
85.02799	3.4
93.00723	0.6
93.03313	46.2
93.05666	0.9
94.03607	0.7
95.08717	0.4
99.00735	5.7
99.04373	5.2
99.24120	0.4
101.02261	0.5
109.02792	1.0
111.04378	20.4
111.07427	0.5
112.04684	0.6
113.02303	0.6
119.04896	1.6
125.20412	0.4
129.01833	2.3
129.05461	0.5
132.83649	0.4
137.02325	15.1
143.03372	3.4
145.88538	0.4
155.03391	10.2
173.04457	100.0
173.10342	1.1
174.04826	2.4
225.77895	0.5
251.10776	15.7
252.11104	0.9
260.69034	0.4
268.69345	0.4
291.19727	0.6
309.20786	2.1
424.27689	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.161
Annotation	Unknow
Peak:m/z	Relative Intensity
63.43002	0.1
65.00184	0.2
65.57655	0.1
77.03819	2.5
87.32668	0.1
89.03822	1.6
93.03316	0.1
95.04882	5.7
95.88790	0.1
97.02850	0.1
105.03321	19.9
106.03666	0.4
107.04970	0.1
117.03347	0.4
121.02845	0.3
123.04393	2.2
132.02043	0.8
132.98433	0.9
133.02827	100.0
133.06636	1.3
134.03099	2.0
135.04387	1.4
137.02281	0.2
145.06485	0.1
145.43697	0.1
151.03911	1.1
162.21024	0.1
176.95091	0.4
177.01845	44.4
177.07652	0.4
178.02408	1.3
179.03436	0.8
229.12334	0.4
254.89281	0.1
265.08795	0.3
306.88489	0.2
324.37180	0.1
350.15567	0.2
363.16113	0.2
365.17545	1.0
369.14542	0.2
425.15985	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.182
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
53.35454	0.2
58.00172	0.3
58.00460	5.8
59.01243	1.7
59.01495	0.4
65.00185	2.7
65.03833	0.4
67.01743	1.9
68.99670	1.4
69.03307	1.6
71.01237	1.8
71.04856	0.2
72.99165	25.0
73.00760	0.5
73.02792	0.2
73.05827	0.3
73.99458	0.2
77.03817	0.8
81.03301	1.0
83.04897	0.3
85.02830	0.3
91.01761	0.3
92.99677	1.2
93.02758	0.5
93.03315	6.8
95.04877	0.9
96.95873	2.0
97.02818	0.7
97.06403	0.2
99.00724	0.7
99.07993	1.4
100.66281	0.3
105.03332	1.2
106.04076	0.7
107.04884	6.1
108.02034	0.9
109.02849	0.5
111.04359	0.3
117.03345	0.5
119.04887	4.9
120.05262	0.3
121.02822	11.2
121.06359	0.3
122.03663	0.4
123.04364	1.5
123.08043	0.4
125.02341	0.4
125.09596	0.6
129.09103	0.6
130.04153	0.4
131.04910	1.5
133.02811	0.7
133.06445	0.4
134.03613	0.5
135.04399	4.2
137.02361	0.7
137.05975	1.7
138.03134	0.3
139.03860	0.3
143.04858	0.4
144.05750	0.4
145.02826	0.9
147.00766	0.7
147.04396	4.2
149.02327	23.0
149.05956	6.5
149.07126	0.3
149.09618	0.4
150.02812	0.9
151.03905	0.9
151.07524	0.4
151.11180	0.5
153.05458	0.3
153.09094	0.9
154.26115	0.3
156.05724	1.8
157.06541	0.5
158.03699	0.4
158.07288	0.6
159.04430	0.9
161.02293	0.6
162.03169	0.5
163.03886	3.5
164.01036	0.2
164.98312	0.7
165.05470	100.0
165.10818	1.1
166.02597	0.3
166.05792	2.4
167.03407	3.2
167.07043	1.3
169.08553	0.3
171.04427	1.2
172.05249	1.5
173.02341	0.6
173.06012	0.9
173.13295	0.3
174.03122	0.3
174.06744	0.7
175.03912	2.0
176.00958	0.3
176.04655	0.5
177.01846	64.8
177.05211	2.9
177.07797	0.7
178.02293	2.1
179.03331	1.1
181.04996	0.4
181.08571	0.3
183.04395	0.3
184.05228	1.4
185.05957	0.8
185.13286	0.5
186.06795	0.7
187.04015	1.1
188.04652	0.5
189.01886	1.0
189.05507	2.0
189.09064	0.4
189.12790	0.3
190.02687	1.0
190.06256	0.4
191.03377	1.2
191.14415	0.3
192.04172	0.3
193.01323	0.5
193.04999	8.9
194.05280	0.4
195.02893	0.4
195.06593	0.4
197.08154	1.1
199.03970	0.4
200.04694	2.4
201.01773	0.3
201.05531	1.4
201.09241	0.4
201.12764	1.3
202.02724	0.4
202.06290	1.2
203.03442	0.7
203.14320	0.6
205.01378	3.7
205.08563	0.4
205.15913	0.3
206.02098	1.2
207.10150	0.5
209.04494	9.4
210.04839	0.5
211.04132	0.5
212.04720	1.5
213.05566	0.3
213.12791	2.0
214.06274	0.3
214.10010	0.6
215.03430	0.4
215.10736	0.9
215.14394	1.0
217.04993	0.6
217.12283	0.6
218.05719	0.7
219.13899	0.6
221.04527	0.8
223.06013	0.4
226.09956	0.4
227.03438	0.5
228.04253	1.3
229.04993	0.4
229.12312	1.9
230.05804	1.8
231.10143	0.4
231.13820	1.4
233.11853	0.4
233.15535	0.8
237.03990	2.3
239.05452	0.4
241.12267	2.9
242.09517	0.4
243.10201	0.5
243.13908	1.1
245.12038	0.4
246.12483	0.5
247.13383	0.6
254.09532	0.4
256.03772	0.7
257.11847	4.1
258.12341	0.3
259.13416	2.7
261.15009	0.9
262.04950	0.3
263.13016	0.4
269.11829	6.1
270.12192	0.4
271.10013	0.3
271.13373	0.3
273.11551	0.4
273.14868	0.3
274.04926	0.5
275.12909	3.0
277.14474	1.0
285.11243	1.4
287.12927	6.5
289.14600	0.6
291.12448	0.3
293.13806	0.4
303.12482	0.7
305.13995	0.9
307.15405	0.8
313.10812	3.7
317.13937	0.3
319.11896	7.8
320.12320	0.7
321.13556	0.7
329.10129	1.3
331.11856	1.5
333.13397	0.6
345.13443	0.4
347.11380	4.6
349.12854	1.4
351.14484	3.4
352.15280	0.3
357.09863	1.3
365.12537	0.3
375.10892	2.5
393.11938	6.8
394.12247	0.7
399.11142	0.3
407.13303	0.5
425.13651	1.2
425.19373	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	425.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35454	0.2
58.00172	0.3
58.00460	5.8
59.01243	1.7
59.01495	0.4
65.00185	2.7
65.03833	0.4
67.01743	1.9
68.99670	1.4
69.03307	1.6
71.01237	1.8
71.04856	0.2
72.99165	25.0
73.00760	0.5
73.02792	0.2
73.05827	0.3
73.99458	0.2
77.03817	0.8
81.03301	1.0
83.04897	0.3
85.02830	0.3
91.01761	0.3
92.99677	1.2
93.02758	0.5
93.03315	6.8
95.04877	0.9
96.95873	2.0
97.02818	0.7
97.06403	0.2
99.00724	0.7
99.07993	1.4
100.66281	0.3
105.03332	1.2
106.04076	0.7
107.04884	6.1
108.02034	0.9
109.02849	0.5
111.04359	0.3
117.03345	0.5
119.04887	4.9
120.05262	0.3
121.02822	11.2
121.06359	0.3
122.03663	0.4
123.04364	1.5
123.08043	0.4
125.02341	0.4
125.09596	0.6
129.09103	0.6
130.04153	0.4
131.04910	1.5
133.02811	0.7
133.06445	0.4
134.03613	0.5
135.04399	4.2
137.02361	0.7
137.05975	1.7
138.03134	0.3
139.03860	0.3
143.04858	0.4
144.05750	0.4
145.02826	0.9
147.00766	0.7
147.04396	4.2
149.02327	23.0
149.05956	6.5
149.07126	0.3
149.09618	0.4
150.02812	0.9
151.03905	0.9
151.07524	0.4
151.11180	0.5
153.05458	0.3
153.09094	0.9
154.26115	0.3
156.05724	1.8
157.06541	0.5
158.03699	0.4
158.07288	0.6
159.04430	0.9
161.02293	0.6
162.03169	0.5
163.03886	3.5
164.01036	0.2
164.98312	0.7
165.05470	100.0
165.10818	1.1
166.02597	0.3
166.05792	2.4
167.03407	3.2
167.07043	1.3
169.08553	0.3
171.04427	1.2
172.05249	1.5
173.02341	0.6
173.06012	0.9
173.13295	0.3
174.03122	0.3
174.06744	0.7
175.03912	2.0
176.00958	0.3
176.04655	0.5
177.01846	64.8
177.05211	2.9
177.07797	0.7
178.02293	2.1
179.03331	1.1
181.04996	0.4
181.08571	0.3
183.04395	0.3
184.05228	1.4
185.05957	0.8
185.13286	0.5
186.06795	0.7
187.04015	1.1
188.04652	0.5
189.01886	1.0
189.05507	2.0
189.09064	0.4
189.12790	0.3
190.02687	1.0
190.06256	0.4
191.03377	1.2
191.14415	0.3
192.04172	0.3
193.01323	0.5
193.04999	8.9
194.05280	0.4
195.02893	0.4
195.06593	0.4
197.08154	1.1
199.03970	0.4
200.04694	2.4
201.01773	0.3
201.05531	1.4
201.09241	0.4
201.12764	1.3
202.02724	0.4
202.06290	1.2
203.03442	0.7
203.14320	0.6
205.01378	3.7
205.08563	0.4
205.15913	0.3
206.02098	1.2
207.10150	0.5
209.04494	9.4
210.04839	0.5
211.04132	0.5
212.04720	1.5
213.05566	0.3
213.12791	2.0
214.06274	0.3
214.10010	0.6
215.03430	0.4
215.10736	0.9
215.14394	1.0
217.04993	0.6
217.12283	0.6
218.05719	0.7
219.13899	0.6
221.04527	0.8
223.06013	0.4
226.09956	0.4
227.03438	0.5
228.04253	1.3
229.04993	0.4
229.12312	1.9
230.05804	1.8
231.10143	0.4
231.13820	1.4
233.11853	0.4
233.15535	0.8
237.03990	2.3
239.05452	0.4
241.12267	2.9
242.09517	0.4
243.10201	0.5
243.13908	1.1
245.12038	0.4
246.12483	0.5
247.13383	0.6
254.09532	0.4
256.03772	0.7
257.11847	4.1
258.12341	0.3
259.13416	2.7
261.15009	0.9
262.04950	0.3
263.13016	0.4
269.11829	6.1
270.12192	0.4
271.10013	0.3
271.13373	0.3
273.11551	0.4
273.14868	0.3
274.04926	0.5
275.12909	3.0
277.14474	1.0
285.11243	1.4
287.12927	6.5
289.14600	0.6
291.12448	0.3
293.13806	0.4
303.12482	0.7
305.13995	0.9
307.15405	0.8
313.10812	3.7
317.13937	0.3
319.11896	7.8
320.12320	0.7
321.13556	0.7
329.10129	1.3
331.11856	1.5
333.13397	0.6
345.13443	0.4
347.11380	4.6
349.12854	1.4
351.14484	3.4
352.15280	0.3
357.09863	1.3
365.12537	0.3
375.10892	2.5
393.11938	6.8
394.12247	0.7
399.11142	0.3
407.13303	0.5
425.13651	1.2
425.19373	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	425.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43297	0.2
56.84532	0.2
57.76179	0.3
58.11617	0.3
59.01229	1.0
62.05630	0.2
63.21033	0.2
66.51801	0.2
70.81437	0.2
80.02402	1.1
80.02898	0.6
89.22832	0.3
90.07910	0.3
91.73344	0.6
92.02524	1.1
92.67690	0.3
96.95894	0.6
106.04108	3.8
107.04895	3.1
108.02022	0.8
115.57316	0.3
116.76660	0.3
119.04903	14.6
121.02826	6.2
131.31746	0.3
133.06487	4.0
146.59494	0.3
147.08044	0.8
161.09637	0.9
175.11192	1.0
180.06567	0.3
186.66859	0.3
189.12836	0.6
201.76089	0.3
203.14302	0.6
210.73166	0.3
217.15918	0.3
263.18530	0.3
299.23831	93.9
300.24210	3.2
323.09836	0.4
343.22815	100.0
344.23166	3.1
425.17041	0.4
425.25912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41178	0.3
53.38595	0.3
57.03318	3.2
59.01244	2.2
61.09029	0.3
61.98690	0.5
65.03858	0.3
65.94168	0.3
67.01752	0.8
68.99686	0.7
69.03310	2.5
71.01237	4.9
71.04880	2.3
72.97530	1.4
72.99168	81.2
73.02812	3.0
75.00732	2.8
75.15948	0.6
79.05378	0.5
79.95585	0.4
80.02549	0.9
81.03312	4.3
83.01233	2.1
83.04877	1.2
84.02048	0.6
85.02821	2.8
87.00729	2.4
88.31976	0.3
88.85184	0.4
89.02276	1.0
91.05376	1.9
91.73370	0.8
93.03318	5.1
95.01243	1.5
95.04887	3.1
96.02029	1.7
96.95871	15.6
97.02810	10.4
97.06464	1.1
99.00745	1.0
99.04374	3.6
101.02332	0.9
106.04090	0.5
107.04887	8.8
108.02037	0.7
109.02814	3.7
109.06449	3.3
111.04366	1.9
112.01536	0.6
113.02309	8.8
113.05948	0.9
115.03886	1.1
119.03440	0.5
119.04900	2.1
121.02791	1.7
121.06474	1.0
121.10095	1.3
122.03613	1.1
123.00777	0.7
123.04390	7.5
123.08031	1.2
124.01561	1.1
125.02319	27.7
125.05946	1.1
125.09594	1.1
127.03895	0.5
130.04102	0.5
131.04924	1.3
133.02888	0.4
133.06447	3.3
134.03592	0.8
135.04398	13.2
135.08014	1.1
135.11679	0.5
136.05191	3.4
137.02328	3.1
137.05968	2.9
137.09576	2.1
138.03125	1.1
139.03894	1.5
139.07632	0.4
139.11221	1.1
141.01807	0.6
141.03343	0.6
143.04886	2.4
145.02861	0.8
145.06535	0.7
146.03624	0.9
147.04396	1.9
148.05290	0.8
149.02338	1.4
149.05942	2.2
149.09615	3.3
150.03099	1.4
150.06747	0.9
151.03909	4.4
151.07541	27.3
151.11131	0.9
153.01831	3.3
153.05463	3.9
153.09094	1.2
155.04930	0.5
155.10683	0.7
158.03549	0.6
159.04427	4.5
160.05199	1.4
161.02296	0.9
161.05977	9.5
161.13239	0.6
162.03104	3.8
162.06784	0.4
163.03932	2.0
163.07535	0.8
163.11220	1.1
164.01006	0.6
165.01854	3.5
165.05505	1.0
165.12721	1.0
166.27644	0.4
167.03407	24.1
167.10663	3.0
168.03770	0.5
169.02838	0.7
169.04996	1.6
169.06377	0.5
171.04422	5.5
171.08138	0.5
172.05202	0.8
173.02365	1.6
173.04601	0.4
173.06017	1.3
173.94179	0.4
174.03157	1.8
175.03888	2.4
175.11145	0.5
176.04730	0.5
177.01852	1.4
177.05498	4.6
177.09143	0.5
178.02557	0.4
178.06297	0.7
179.03433	25.0
179.07048	39.9
179.10614	1.3
179.14319	1.0
180.03854	0.5
180.07535	0.5
181.04968	1.9
181.08620	0.4
181.12233	1.8
183.04408	1.0
183.10173	0.7
185.02376	1.0
187.03935	10.0
187.07544	0.5
188.04730	2.3
188.08382	0.6
189.01921	0.5
189.05504	13.9
189.09193	0.5
189.12903	0.7
190.02625	1.7
190.06107	0.7
191.03441	10.4
191.07079	1.6
191.10674	2.2
191.14377	1.0
193.12338	0.7
195.10301	0.5
197.02429	2.8
197.04500	4.9
197.06001	0.8
198.03268	0.6
199.03940	5.0
199.05994	1.2
200.04559	0.5
201.05553	1.0
201.12794	0.9
203.03453	2.4
203.14334	0.9
204.04196	0.7
205.05013	14.1
205.12303	0.7
207.64293	0.4
209.11827	1.7
211.03954	3.1
211.09706	19.1
213.01891	4.5
213.05550	0.9
214.02655	1.4
214.06212	0.5
215.03445	6.0
215.07076	0.4
215.10689	0.4
215.14365	0.6
216.04277	1.4
216.07896	1.3
217.05037	14.4
217.12300	2.2
217.15884	0.5
219.10271	4.2
219.13805	2.6
219.17505	0.8
223.06012	3.1
225.05612	0.6
226.02753	0.5
227.03477	4.4
227.07097	0.9
227.14319	0.5
228.04169	1.0
228.07910	1.5
229.04994	1.8
229.10432	2.7
229.12659	0.9
229.15923	3.4
230.02119	0.7
231.02971	5.9
231.13882	1.1
233.00899	2.8
233.04378	0.8
234.08942	0.5
235.06105	1.7
235.13350	3.5
239.03491	1.2
240.04147	0.4
241.01466	1.3
241.07109	4.1
242.02252	1.9
242.05745	0.6
243.02989	11.6
244.03357	0.5
245.00934	2.3
245.04497	1.9
245.11937	0.9
245.15530	1.6
247.02592	0.4
247.13417	6.5
247.16959	1.0
249.15005	1.6
251.07037	0.8
253.04991	0.7
253.07281	1.0
255.02966	1.5
255.06683	1.0
255.13922	1.3
257.04626	1.1
257.15573	0.5
258.01663	2.3
259.02490	100.0
260.02853	3.4
261.04041	3.5
261.15036	2.3
265.01279	0.5
266.02167	0.6
267.13971	1.7
269.08179	0.9
271.02490	15.5
271.13461	1.0
271.68881	0.4
272.03006	0.7
273.04178	0.6
273.11411	2.7
273.14990	8.1
275.12906	0.7
278.05899	1.1
279.06570	1.3
279.16092	0.9
281.04514	1.0
283.02493	21.8
284.02930	0.9
285.14990	1.6
289.03543	5.1
289.14499	1.3
291.03006	0.5
291.16040	32.5
291.30658	0.5
292.16431	0.6
293.04773	0.5
297.06137	3.4
299.05737	0.6
299.12631	0.7
301.03455	2.8
303.16058	1.3
307.15512	4.2
309.17004	0.9
311.09344	0.5
315.07224	3.0
317.13956	19.7
321.07733	0.7
323.05692	0.9
329.14020	3.6
331.60947	0.6
335.15036	61.5
336.15390	1.4
337.07166	0.5
339.05203	0.7
339.08948	0.5
341.06763	0.6
347.05753	0.6
347.14923	3.2
353.16089	72.5
354.16437	1.6
365.06775	2.2
365.16052	1.0
373.12836	0.9
383.07660	1.8
391.04831	1.8
391.13965	3.4
409.05823	9.3
409.14951	6.0
410.06137	0.5
410.28687	0.5
427.07510	4.8
427.16064	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	427.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28384	0.3
65.41865	0.3
72.99172	0.6
79.95592	1.7
80.02536	0.5
80.96362	0.8
91.73331	0.5
96.95866	13.6
100.10018	0.4
108.02028	29.6
117.28106	0.4
122.97456	3.0
123.04384	14.1
132.98167	0.4
152.01039	71.6
152.05653	1.0
163.11209	1.0
166.97298	0.9
167.03400	100.0
167.08792	1.0
168.03740	0.6
176.76460	0.4
179.07056	0.6
181.33957	0.4
184.39676	0.5
204.11430	0.4
259.02798	7.1
300.09955	0.4
342.06763	0.4
343.52640	0.4
353.15979	0.8
357.99365	0.5
423.12848	1.0
427.07019	9.5
427.15698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02176	9.7
59.01235	19.8
60.10433	9.1
67.05313	8.7
68.34274	10.7
69.81944	8.7
71.01228	14.7
72.99176	11.5
78.48885	11.5
93.86064	12.5
96.95844	12.8
109.02793	16.4
120.11929	10.0
121.87836	11.9
123.04472	12.7
124.01506	13.3
126.35892	11.2
133.02867	11.1
137.02342	10.9
152.01019	15.3
155.39345	12.0
163.69189	10.6
164.52991	10.8
167.03459	18.0
173.04443	18.4
179.03297	11.3
240.16693	15.9
291.06516	17.8
292.07520	16.5
309.07516	23.2
310.08652	20.4
325.10721	19.5
333.84467	12.2
391.14130	33.2
394.14679	16.4
397.16531	26.4
409.16714	78.7
427.11603	100.0
427.17728	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69527	0.6
53.67907	0.6
53.82663	0.8
57.03301	1.7
57.97701	0.7
59.01227	2.3
59.05618	0.7
61.46418	0.7
66.10188	0.7
66.14846	0.6
66.83582	0.7
66.88052	0.7
67.01727	1.0
67.18928	0.7
69.03304	3.5
71.01240	1.3
71.04871	1.7
72.99163	8.2
73.02797	5.0
73.28487	0.7
75.00720	1.3
80.91540	2.3
83.04871	2.9
85.02819	5.4
87.00722	2.7
87.04366	5.5
93.03306	1.1
93.26617	0.7
95.04869	1.0
96.95844	4.8
97.02807	6.3
97.06426	1.5
98.95473	1.4
99.04381	3.9
99.08009	7.8
101.02296	1.2
105.06910	1.2
106.04132	1.1
107.04865	2.1
108.02036	1.9
109.02796	2.3
109.06426	2.3
111.04379	1.0
113.02309	13.0
115.03890	1.1
119.04877	4.3
120.99496	0.9
121.02806	2.8
121.06429	1.9
121.10099	5.5
122.03589	3.2
123.00738	1.3
123.04424	1.5
125.02324	11.1
127.07501	3.5
129.09068	2.5
132.05685	2.7
133.06451	8.2
134.03600	2.8
135.04402	3.7
136.01550	2.0
137.02330	2.4
137.05957	14.7
137.09595	2.1
138.03064	1.5
139.03882	8.2
141.01791	1.8
143.03363	13.2
145.02849	1.7
146.07333	1.1
147.04378	2.1
147.07968	1.0
147.70201	0.8
149.05948	5.3
149.09590	3.4
151.07535	0.9
151.11168	2.0
153.09067	1.0
156.05647	1.4
158.07295	1.2
159.04375	2.3
160.05231	1.2
162.03172	0.9
163.03891	2.7
163.11153	2.9
164.04770	0.9
165.05475	3.6
165.09076	1.7
165.36848	0.9
166.36211	0.8
167.03410	1.0
167.10712	2.8
172.05171	3.6
172.06490	0.9
173.05963	2.3
174.06743	4.6
175.03915	1.6
176.04611	1.2
177.05553	5.1
177.09117	9.1
178.04936	1.0
178.06308	1.3
179.03383	1.6
179.10733	3.7
180.04205	3.9
181.04977	7.7
184.45245	0.9
187.03937	1.1
189.05518	2.1
189.12782	6.7
190.06255	1.1
191.03400	1.9
191.10699	7.6
191.14311	1.7
192.07831	1.2
193.05023	4.6
195.10139	2.0
197.86891	0.9
200.04805	1.2
201.05357	1.4
201.12791	1.8
202.06296	2.7
203.03462	1.6
203.10541	1.0
203.14326	3.6
205.01125	1.6
205.12277	1.4
207.10335	0.8
207.13824	6.9
209.04515	2.2
209.11728	1.0
213.12761	3.9
215.14301	1.6
216.11485	1.3
217.12317	2.6
218.05698	1.6
219.10268	1.5
219.13882	1.7
221.15324	0.9
223.09723	3.2
229.12340	3.1
231.13879	17.7
233.11717	2.1
233.15326	1.4
235.13420	2.1
241.12462	1.9
246.05122	1.6
247.09836	1.8
247.13347	5.2
248.10384	1.1
249.14970	2.2
251.12843	4.2
259.13388	11.8
262.71664	1.0
275.12915	8.3
277.14423	3.8
279.12448	2.9
291.12314	1.9
293.13950	7.1
301.09393	2.6
303.12415	2.4
309.13474	2.4
319.11722	1.0
321.13443	18.9
323.11417	1.2
330.69727	1.0
337.12878	2.1
365.12222	2.1
367.19861	1.3
383.13431	3.1
427.12463	100.0
428.12897	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	427.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64619	1.1
57.03310	3.3
59.01229	0.9
60.99160	0.6
65.88412	0.7
69.03319	9.5
69.30939	0.6
71.01238	1.6
72.99167	27.2
73.02788	1.2
74.98961	0.8
77.42820	0.6
79.72210	0.6
81.03308	1.6
85.02822	4.7
88.98659	1.4
91.72736	0.8
93.03331	0.7
96.95873	5.3
97.02810	14.8
99.04391	1.7
101.02297	0.8
106.04142	1.7
108.02007	0.9
109.02809	3.7
111.04372	1.0
113.02307	70.3
114.02644	1.4
119.04883	1.3
120.01115	1.6
121.02804	1.0
121.06477	2.1
121.10117	0.9
122.03588	1.1
123.04399	0.8
124.01469	1.0
124.98335	0.8
125.02315	64.7
125.05921	1.5
126.02646	0.9
127.07562	1.2
129.09065	1.8
132.05685	1.2
133.90746	0.7
134.03549	1.0
135.04358	1.0
136.99039	2.0
137.02303	2.3
137.05957	5.9
138.03133	1.0
139.03928	1.5
141.01839	1.6
143.03404	1.9
147.04420	0.7
149.09610	3.0
150.03139	0.8
151.11223	1.1
156.05730	0.8
159.04431	1.7
161.05975	1.0
162.03246	1.0
163.03925	1.3
163.11212	1.8
165.05472	4.7
167.03357	3.3
167.10699	1.7
172.05206	1.2
173.05927	1.1
174.06558	0.7
174.81404	0.7
175.03947	1.4
175.07585	0.8
175.11299	1.2
177.09117	4.2
179.10680	1.7
181.04951	2.1
187.03955	0.9
189.05580	1.6
190.13222	0.9
191.03247	0.7
191.10706	4.7
193.08710	0.7
193.12329	1.0
195.10196	2.4
200.04810	0.8
201.05551	0.8
203.14406	0.7
205.05048	1.6
207.10257	1.6
207.13829	4.4
209.04552	5.7
212.11391	0.8
213.12865	0.9
215.03474	1.1
217.12309	1.2
219.10207	3.7
223.09834	0.8
229.12358	1.5
231.02919	1.1
231.13901	1.7
233.11841	1.5
235.13412	2.1
237.11302	0.7
245.11760	1.9
247.09671	0.9
247.13483	1.6
250.98141	0.7
251.12883	1.5
258.66931	0.7
259.02542	4.2
259.13431	1.7
263.12943	1.1
265.10965	0.9
273.11420	2.1
275.12772	1.5
279.12299	4.9
291.12350	1.8
293.14075	1.8
293.89169	0.8
303.12234	1.5
307.08249	5.0
307.11942	2.1
309.13229	0.9
319.11856	0.8
321.13461	1.6
337.13037	1.3
339.14529	0.9
355.13962	3.0
365.06693	2.0
365.12549	1.0
372.63617	0.7
381.03021	0.7
381.12103	2.2
383.13547	12.5
409.05637	2.0
427.12466	100.0
428.12921	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	427.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53278	0.5
52.64607	1.2
52.64824	0.5
53.51937	0.4
56.02964	0.5
57.03316	3.1
58.02824	1.4
58.73400	0.6
59.01225	2.2
65.78835	0.6
68.02844	0.6
68.99662	0.9
69.03315	8.1
70.14545	0.5
71.01227	1.7
71.04867	2.7
72.99167	26.5
73.02789	2.5
78.95766	1.4
79.95585	2.0
80.51595	0.5
81.03304	1.1
83.04883	1.7
85.02805	5.4
87.00715	0.7
87.04344	1.5
95.01257	1.1
95.04879	0.8
96.93314	0.6
96.95869	35.9
96.96844	2.5
97.02807	16.8
97.06445	0.8
98.95504	0.7
99.04387	1.6
99.08028	1.6
101.02279	0.8
108.02038	3.3
109.02828	3.4
109.06434	1.2
111.04362	1.9
112.99131	0.8
113.02305	64.5
113.05829	0.8
114.02631	1.1
119.04892	1.7
121.02850	1.1
121.10099	1.7
122.03616	1.1
122.97427	2.3
123.00742	0.7
123.04404	2.0
124.98589	0.7
125.02312	53.6
126.02677	1.7
127.00198	0.7
127.07484	1.8
129.01801	0.7
129.09073	2.8
131.04829	0.6
132.05638	1.9
133.02797	0.9
135.04396	1.9
136.01575	3.5
137.02301	1.3
137.05962	9.3
137.09589	2.1
139.11128	1.0
141.01836	5.0
143.03340	1.5
147.04387	0.7
149.02319	1.0
149.09613	2.8
150.03059	0.9
151.03896	1.4
151.11186	3.1
152.01045	5.6
153.01759	1.2
159.04431	0.8
160.05171	1.0
161.02312	0.9
161.05980	2.4
163.03894	1.0
163.11162	1.4
165.05424	1.3
167.03371	7.2
167.10718	4.1
171.07593	0.7
173.05960	1.0
175.03886	1.8
175.07439	0.9
176.04654	0.8
177.05367	0.9
177.09087	4.4
179.03336	2.3
179.10684	2.6
181.04941	5.5
185.02357	0.9
187.03880	0.7
188.04808	0.7
189.12773	2.1
191.03499	0.9
191.10771	1.4
192.11418	0.7
193.08664	1.0
195.10193	2.2
201.05316	0.7
202.06277	1.2
203.14241	1.6
205.04846	0.8
205.12204	0.8
206.08141	4.1
207.10211	0.9
207.13846	9.0
209.04419	0.9
211.04276	0.6
212.11371	0.8
213.12811	1.3
217.05000	0.9
217.12285	1.5
223.09662	0.8
229.12334	1.4
231.13882	2.6
233.11810	1.9
241.12444	0.8
247.09679	0.9
247.13339	2.2
248.09218	1.0
251.12805	3.2
255.88065	0.7
258.99170	3.0
259.02295	1.5
259.13455	2.3
263.12762	0.8
265.14346	1.0
275.12906	2.4
277.14459	1.2
279.12442	4.5
291.12317	2.3
293.14041	1.0
294.13834	0.7
301.19183	0.7
303.12527	1.6
309.13312	3.3
319.11884	0.7
321.13333	1.5
336.44470	0.8
347.07651	1.5
355.13922	2.8
365.12289	1.9
383.08878	1.0
383.13492	5.9
391.14182	2.9
409.11465	1.2
427.03036	3.1
427.12384	100.0
428.12653	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	427.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	2.0
69.03323	1.1
71.01255	1.9
71.04868	0.9
71.85613	0.4
72.97507	1.7
72.99166	100.0
73.02808	1.8
73.99454	0.3
75.00737	0.6
76.18903	0.3
80.00107	0.4
81.03326	1.2
83.04881	3.2
85.02823	0.9
87.00755	0.5
88.98640	0.6
93.03324	1.4
95.01258	1.1
95.04900	0.8
96.95887	0.7
97.02814	2.7
97.06471	0.5
99.00697	0.4
99.04379	1.3
101.02348	0.4
107.04868	2.0
108.02032	1.9
109.02816	0.7
109.06451	0.7
111.04391	5.1
113.02306	3.5
119.52786	0.4
121.02801	0.8
122.03598	0.8
123.04409	3.2
125.02316	3.7
125.05949	0.5
131.70656	0.3
133.06464	2.3
135.04416	3.4
135.08018	1.5
136.05171	1.8
137.02348	0.4
137.06027	1.0
137.09583	0.9
138.03189	0.4
139.03856	0.7
139.11179	0.5
148.05145	0.4
149.05978	0.7
149.09592	1.4
150.03127	1.4
151.03873	1.9
151.07529	11.7
151.11142	0.6
152.01047	4.1
153.05460	1.2
155.03481	0.9
159.04427	0.4
160.05193	1.2
161.05974	4.2
162.13712	0.5
163.03882	0.5
163.07515	0.5
163.11188	0.5
165.12813	0.8
167.03407	6.9
167.10660	2.8
169.04973	1.1
173.04402	0.7
175.11093	0.5
176.04678	0.5
177.05452	1.2
179.03520	3.1
179.07050	20.3
179.10591	0.7
181.12312	0.9
189.12730	0.6
191.10750	1.1
191.14342	0.5
193.12321	0.7
194.15474	0.4
197.04454	0.5
203.14310	0.7
205.04991	1.5
205.12296	0.8
208.11035	0.4
209.11772	0.6
211.09644	3.0
212.09967	0.9
216.07843	0.8
217.12296	1.8
217.15939	0.6
219.10229	1.1
219.13864	1.3
223.06102	1.8
223.13374	1.6
227.14398	0.5
229.12268	1.0
229.15977	1.6
231.13947	0.7
233.15460	0.5
235.13326	1.5
241.07246	0.8
245.12021	0.4
245.15474	1.2
245.40010	0.5
247.13365	3.2
247.17007	0.7
249.15063	0.6
255.13889	0.9
256.61780	1.0
259.02762	0.5
261.14899	1.1
263.12936	0.5
263.16684	0.5
273.15005	4.8
279.15894	0.5
285.14905	0.7
287.12958	0.6
289.14523	0.8
291.16034	28.0
292.16296	0.6
292.77063	0.5
293.13947	4.6
307.15585	2.5
309.17068	5.8
317.14005	3.2
335.15024	32.2
336.15228	0.5
347.14948	0.5
353.16083	25.2
354.16376	0.7
365.16043	0.5
391.14102	0.8
391.19568	0.5
391.24759	0.5
409.14908	2.1
409.25992	1.8
427.16083	38.4
428.16510	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1609
Annotation	Pteroside U
Peak:m/z	Relative Intensity
54.66281	0.7
55.01732	0.8
57.03304	1.0
59.01239	4.1
61.98687	1.0
67.01720	0.8
69.03306	1.6
71.01234	7.1
71.04850	1.8
72.97369	1.4
72.99164	100.0
73.00794	1.4
73.02809	3.8
73.99511	1.1
75.00722	3.2
81.03306	2.2
85.02818	2.3
85.99321	0.9
87.00716	3.6
89.02290	0.9
91.05412	1.3
93.03309	5.4
95.01250	1.5
95.04893	1.5
96.02044	1.4
97.02804	10.4
99.00736	0.9
99.04379	1.3
101.02325	1.4
102.34387	0.8
107.04890	10.1
109.02835	1.4
109.06458	3.7
110.03606	1.1
110.58043	0.8
111.04359	2.1
113.02294	9.2
119.04896	1.3
121.02781	0.8
121.06490	0.9
123.04391	8.3
123.08007	2.1
125.02322	11.3
125.05937	2.1
133.06480	3.0
135.04391	14.9
135.08026	1.1
136.05199	4.2
137.05960	2.8
137.09593	2.7
139.03877	1.0
139.07487	1.2
139.11162	1.3
143.04897	1.2
149.05952	1.8
149.09627	3.8
150.03128	1.7
151.03915	5.0
151.07535	29.3
151.08739	1.9
152.07904	0.9
153.05452	5.0
155.10713	1.4
160.05231	1.2
161.05980	8.9
162.03107	4.2
163.03845	2.5
163.07541	1.3
167.10623	4.2
169.04950	2.4
173.06006	1.1
175.03946	1.0
176.04631	1.0
177.05487	5.7
178.06279	1.5
179.03429	29.5
179.07040	49.3
179.10538	1.8
180.07434	1.6
180.14828	0.8
181.12288	2.0
183.10126	1.8
189.12895	1.1
190.06163	0.8
191.07086	2.1
191.10739	2.0
191.14444	0.9
197.04459	6.9
198.06731	0.9
199.06062	1.6
201.12723	0.9
203.14169	1.1
204.04254	0.9
205.04982	16.2
209.11832	1.8
211.09706	25.1
212.10017	1.7
216.07840	1.8
217.12273	2.9
217.16025	1.1
219.10283	5.0
219.13831	4.7
219.17502	2.0
223.06075	3.2
228.07904	2.3
229.08449	1.0
229.10687	2.3
229.12614	1.6
229.15984	3.1
235.06175	1.7
235.13383	4.2
241.05035	0.9
241.07196	5.0
245.11852	1.9
245.15469	2.2
245.39781	1.5
247.13382	8.0
247.16983	1.1
249.14885	2.0
253.07054	1.5
255.13957	2.4
257.15472	1.2
261.14969	3.6
267.13959	2.3
273.11682	1.6
273.15009	8.4
285.14969	2.4
289.14697	1.0
291.16040	40.1
292.16287	2.7
297.06155	3.9
299.12820	2.1
303.15991	1.4
307.15552	5.6
309.17010	1.8
315.07260	5.3
317.10199	0.9
317.13947	23.2
329.13980	3.4
335.15009	76.8
335.30902	1.2
336.15347	6.1
347.14981	6.3
353.16074	97.3
354.16559	6.5
365.15921	1.1
369.20834	1.0
391.13797	4.8
409.14966	9.9
427.16016	25.5
427.21130	1.5
427.24872	1.1
428.16467	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19441	0.3
59.01237	1.3
61.98697	0.7
71.01243	1.1
71.04881	1.5
72.97441	1.5
72.99166	100.0
73.00675	1.2
73.02808	4.9
73.99520	0.6
74.02306	0.5
78.95757	0.5
83.01278	0.4
83.04882	0.6
84.20208	0.3
85.02802	0.5
87.00726	0.8
93.03291	0.6
95.04889	0.5
96.95841	0.5
97.06422	0.5
98.55733	0.3
101.02315	1.0
108.02039	0.4
111.04382	4.8
113.02322	0.9
119.04916	1.6
120.05639	0.4
121.02865	0.4
121.06454	0.4
123.04397	2.0
125.02332	1.7
127.05074	0.5
128.03453	0.7
133.06514	0.5
135.04474	0.4
135.08057	1.6
137.02344	0.5
138.99515	0.4
139.03955	0.7
145.06331	0.6
157.06079	0.5
157.12320	0.3
163.03935	1.2
163.07553	3.1
173.04471	0.8
175.07603	0.6
177.09445	1.5
189.05551	0.7
189.12813	0.4
195.10178	0.5
195.11848	0.4
197.13377	0.6
199.07574	0.3
200.08353	0.9
201.05118	0.4
201.09181	0.4
207.06578	7.2
208.06903	0.6
212.09984	0.8
215.10796	0.4
217.12367	0.5
225.12758	0.8
233.11852	0.5
235.13406	1.6
241.12309	1.0
243.06554	0.4
243.13905	0.5
244.07204	0.5
245.08217	1.2
247.17003	0.7
249.06096	0.7
256.61777	0.9
259.13571	0.5
261.11398	1.2
263.16681	0.7
269.11887	1.4
273.15002	3.5
279.12375	3.0
287.13153	0.6
289.14322	0.5
291.15945	1.9
297.13477	0.8
299.12869	0.7
309.17096	3.9
317.14026	2.7
318.14322	0.5
329.14029	2.3
335.15030	33.6
336.15213	2.1
353.16080	5.7
354.16232	0.4
367.16150	2.1
375.20020	0.3
391.14056	0.6
409.15268	2.0
427.16138	29.0
428.16452	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.6
59.00974	0.8
59.01244	10.7
60.87267	0.7
67.69630	0.7
67.70064	0.8
71.01237	2.0
72.97514	1.3
72.99167	88.7
73.02802	2.0
78.95767	0.9
83.01192	0.8
85.02811	4.6
86.98598	1.0
87.00733	68.6
89.02301	8.9
93.03287	0.9
97.02782	0.9
100.57771	0.7
105.67125	0.7
111.00741	0.8
111.04346	0.9
113.02306	2.8
115.03839	1.1
125.02321	0.8
135.04437	1.3
141.01866	1.5
148.05165	1.4
151.11169	2.0
153.12744	2.2
154.99718	2.9
160.03963	0.9
165.12781	6.7
177.12781	2.6
181.12224	1.9
183.13861	4.3
191.14311	3.6
193.12279	6.1
193.16119	0.8
195.10159	1.2
203.14345	2.4
205.12285	4.9
207.13834	2.6
211.13351	7.7
219.13896	4.1
221.11838	1.1
221.15381	4.8
226.12083	0.8
229.12436	1.1
229.15765	1.0
231.13870	2.0
235.13347	3.9
237.15019	4.2
245.15479	2.9
245.39848	1.8
247.13332	5.8
247.17067	5.5
249.14960	5.9
263.12775	1.2
263.16476	3.4
265.14377	5.1
273.14990	14.7
274.15497	0.9
275.12903	1.2
281.13971	7.6
291.16025	17.7
293.13901	7.5
307.15509	3.5
309.17120	1.8
311.15073	1.3
323.12433	0.9
325.16748	1.1
335.15109	5.0
342.99918	1.3
353.16089	100.0
354.16458	6.2
427.16068	34.5
428.16437	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	427.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96507	0.6
56.53906	0.7
59.01242	2.4
61.98682	0.8
71.01236	2.1
72.97336	1.0
72.99163	100.0
73.00826	1.9
73.02806	1.2
75.00745	0.9
75.72626	0.6
81.03272	1.0
83.04884	4.1
87.00737	0.9
88.98667	1.7
93.03291	1.2
95.04880	0.8
96.95879	2.3
97.02805	2.2
99.04389	1.2
103.41685	0.8
107.04863	1.8
109.02800	0.9
109.06427	0.8
111.04372	6.4
113.02291	4.0
121.02731	0.9
123.04391	3.8
125.02322	2.7
125.09665	1.0
133.06461	2.7
135.04419	4.7
135.08032	1.1
136.05165	1.5
137.09634	1.4
149.09583	1.4
150.03108	1.8
151.03906	1.2
151.07524	11.9
152.01033	2.5
159.04472	0.8
160.05200	1.1
161.05988	4.7
163.11211	0.8
165.12833	0.9
165.31891	0.8
167.03372	3.8
167.10715	1.8
169.05002	1.0
176.04626	0.8
177.05478	1.8
179.03438	2.2
179.07047	21.3
179.10603	1.5
180.07587	0.9
191.10660	2.0
197.04271	0.9
205.12251	2.5
211.09688	3.5
212.10165	1.1
217.12303	1.4
219.13759	1.7
223.06059	1.8
223.13419	4.1
229.15970	2.1
235.13443	1.8
245.15541	0.9
247.13269	3.7
255.13857	1.0
256.61911	1.0
263.16580	0.9
273.14993	5.7
291.16040	35.1
291.19360	2.3
292.16376	1.7
292.77094	1.1
293.14011	2.0
307.15393	1.8
309.17120	9.7
317.13840	3.3
335.15018	36.2
336.15393	2.5
347.25851	0.9
353.16083	22.2
354.16354	1.5
409.15161	1.7
409.25995	4.1
427.16010	29.5
428.16367	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	69.8
57.04456	1.0
58.00457	1.2
59.01242	100.0
59.02431	2.6
69.03310	4.0
71.01241	36.5
71.01640	2.0
72.98781	2.5
72.99165	30.3
73.02808	9.8
74.99631	1.7
75.00739	3.2
81.03320	4.1
83.01244	5.6
83.04894	1.3
85.02802	9.9
87.00719	1.3
89.02288	26.4
93.03335	1.4
94.97950	2.4
95.01220	3.2
95.04887	2.3
96.95864	21.1
97.02800	7.4
97.06456	1.5
99.00758	7.9
99.01290	1.2
99.04375	88.3
100.04692	1.3
101.02300	29.4
107.04893	4.7
108.02011	6.9
109.02843	6.3
109.06492	1.5
110.03149	1.7
111.00729	3.0
111.03265	1.7
111.04426	1.9
113.02304	10.8
114.45908	1.1
115.03920	2.0
121.02887	1.4
123.00713	1.5
123.04404	9.6
123.08045	1.9
124.04761	2.0
125.02313	50.9
125.09564	2.6
126.02654	1.6
128.03360	1.6
129.01839	1.3
131.03372	3.2
133.06467	23.4
134.03703	1.8
135.04416	4.4
137.02324	2.6
138.02669	1.4
139.03906	2.3
141.01846	1.8
143.03358	3.1
149.02399	1.9
149.04512	3.9
149.05965	3.0
150.03059	1.8
150.06375	2.1
151.03848	3.5
151.07542	1.5
151.11176	6.2
152.01057	14.1
153.12718	1.5
159.02943	1.7
161.02400	1.4
161.04462	8.5
161.05972	4.4
162.03133	3.2
163.07510	1.6
165.05473	3.0
165.12708	2.8
167.03421	18.0
173.04544	1.4
177.01762	1.5
177.05458	3.5
179.03395	5.9
179.07082	2.6
180.04202	7.4
183.13898	1.5
191.05545	2.2
193.12297	3.1
195.06561	17.7
204.07425	2.1
205.05078	2.0
216.07504	1.5
217.12152	1.6
217.15932	1.2
229.15981	2.4
233.06644	7.4
245.08110	1.8
246.08472	2.0
247.08656	1.6
247.17026	4.1
259.02948	1.6
259.17010	2.4
261.15027	1.9
263.16544	2.7
273.15042	2.5
275.16730	1.8
283.11908	16.7
289.07172	4.6
290.07486	6.3
291.07764	13.4
291.15952	5.1
293.08768	8.5
297.06161	1.6
303.07730	2.5
307.15329	3.7
317.14001	3.7
335.15005	24.8
353.16055	45.4
354.16455	2.7
383.13617	2.9
427.16486	72.5
428.16626	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00990	0.2
52.95591	0.2
59.01235	0.3
60.40351	0.6
71.01222	0.6
72.99155	0.4
78.95750	0.3
85.02792	0.3
94.91263	0.2
96.96823	0.3
101.02316	0.3
106.04108	1.1
107.04847	0.6
108.06355	0.2
113.02312	0.3
119.04883	0.4
121.02825	1.1
134.38435	0.2
147.08046	2.2
161.09583	1.0
173.04514	0.2
175.11238	0.9
177.12743	4.5
178.13161	0.3
201.12767	0.3
203.10710	14.0
204.11052	0.5
221.11786	100.0
221.20255	1.0
222.12120	5.6
247.09705	0.2
265.10815	60.3
265.21967	0.6
266.11133	3.3
307.11890	0.2
349.84103	0.2
383.17181	0.7
427.16098	14.7
428.16461	0.8
443.48633	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	427.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40038	0.8
59.01236	5.0
60.54990	0.8
69.03345	1.2
71.01270	1.1
71.04880	6.6
72.97519	1.3
72.99167	86.9
73.02802	17.1
75.00734	7.6
76.53513	0.9
78.95766	2.1
79.95585	1.5
83.04903	1.4
83.69765	0.9
85.02787	1.4
95.04903	1.8
96.93349	1.4
96.95871	100.0
96.96751	4.7
101.02323	2.3
109.02814	1.1
111.04414	2.3
113.02344	2.3
123.04380	2.4
125.02335	7.6
135.08061	1.4
147.08136	1.1
163.07579	1.2
165.05499	4.2
166.05893	3.6
167.06015	1.0
167.10553	1.3
176.08415	1.2
179.06963	1.4
179.10603	1.4
189.09154	1.2
191.05562	1.2
199.14861	1.5
205.12376	1.3
207.06641	1.5
209.11755	2.3
217.12430	1.2
233.15469	3.9
235.13469	6.0
243.13893	1.9
247.17035	3.8
249.14937	2.7
251.13000	2.2
251.16577	1.5
255.13644	1.2
263.16507	2.1
273.15030	6.8
279.12411	10.6
289.14471	1.2
291.16055	18.4
292.16470	1.2
294.68524	1.0
297.13324	2.4
303.16251	1.6
309.17056	16.6
335.15002	18.9
339.05255	1.3
353.16092	54.8
354.16534	3.5
380.84671	1.1
400.06384	1.1
427.16147	44.3
428.16367	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	427.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53848	0.5
58.99464	1.4
59.01245	2.8
69.03288	0.9
71.04881	6.7
72.99166	87.8
73.00810	1.5
73.02808	6.6
75.00728	6.2
81.03325	1.6
83.04895	1.1
85.02776	0.9
87.00739	1.8
90.73061	0.5
91.72696	1.3
91.96773	0.6
95.04897	0.7
97.02785	0.8
101.02291	0.6
107.04883	0.7
113.02313	3.4
121.06396	0.9
123.04411	0.8
125.02314	31.5
125.05969	0.7
137.05957	1.9
149.09644	0.9
151.11189	1.0
159.04340	0.7
161.09618	2.0
163.07567	1.2
167.10664	1.5
175.07504	0.6
177.09117	1.0
179.10728	2.8
181.12221	1.3
187.11134	0.7
189.09123	0.7
193.12337	1.1
199.14946	0.8
200.08293	0.7
201.12721	0.9
205.12173	1.0
207.06581	1.2
207.10263	1.0
209.11786	6.7
217.08658	1.1
217.12186	1.0
217.15927	1.6
219.10231	0.8
227.12807	0.7
233.15417	2.0
235.13318	3.2
237.11339	0.6
243.13948	2.0
245.39806	1.7
247.17003	2.8
249.14995	2.1
251.12891	0.6
251.16527	1.2
261.14981	0.6
263.16678	1.4
265.14755	1.0
265.17886	1.2
273.14926	6.0
277.14661	0.8
279.12448	5.0
279.15948	1.2
289.14282	0.7
291.16043	9.1
292.16541	0.8
293.14133	1.2
307.15598	1.4
309.17065	8.0
317.13858	1.0
325.16541	0.7
335.15024	44.1
336.15414	1.7
353.16077	100.0
354.16428	5.1
363.99557	0.7
427.16104	55.9
428.16397	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	427.161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01223	1.3
59.78980	0.4
71.01224	0.7
72.97339	0.8
72.99167	100.0
73.00790	1.4
73.02802	3.8
73.99504	0.5
75.55818	0.5
85.02827	0.6
85.78787	0.4
91.76385	0.4
96.95895	3.6
98.95444	1.0
109.02812	1.5
113.00608	0.5
113.02284	3.1
123.04410	0.9
125.02340	0.6
135.08058	0.8
141.01859	0.5
143.03404	0.6
157.06108	1.4
165.05429	0.6
165.12741	0.8
178.99823	0.8
181.12263	1.5
191.10632	0.6
196.84111	0.5
201.05052	1.3
201.95181	0.4
209.52692	0.5
212.10133	0.6
223.04059	0.4
229.15924	0.5
235.13365	0.7
241.07164	0.6
273.14914	1.1
291.16049	1.0
295.06122	1.0
309.16907	0.6
335.15115	0.9
339.04904	0.8
353.16107	10.1
353.20520	0.5
354.16379	0.7
427.03510	0.8
427.16257	18.1
428.16766	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82996	0.3
59.01237	0.7
60.37798	0.2
61.18699	0.3
62.88092	0.2
65.54089	0.2
72.95453	0.3
75.01553	0.3
77.03450	0.4
77.03805	1.9
84.02023	0.7
88.99078	0.3
89.03830	1.4
90.30318	0.3
94.05768	0.3
95.04885	5.4
98.01131	0.3
103.60801	0.5
104.17338	0.3
105.03323	18.7
108.02020	0.3
117.03349	0.7
118.16758	0.3
121.02784	0.5
123.04399	3.0
128.31993	0.3
132.02008	0.7
132.99065	1.2
133.02831	100.0
133.07156	0.9
134.03282	1.1
135.04414	2.3
151.03934	1.3
163.03902	0.9
165.09135	0.3
167.03418	0.8
175.72054	0.3
177.01849	48.6
178.02225	1.0
208.32886	0.3
282.12866	0.4
397.20081	0.7
409.20227	0.9
427.17126	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57716	0.6
59.01215	1.5
65.33993	0.7
68.82246	0.7
77.03793	2.4
89.03797	1.0
95.04874	4.7
105.03321	18.6
108.02040	6.8
109.02809	7.6
113.07681	0.7
121.02810	1.0
123.04401	6.6
124.01503	0.7
133.02831	100.0
133.06805	1.3
134.03654	11.3
135.04417	7.7
137.02290	3.4
139.03889	1.5
140.05310	0.6
150.03119	2.1
151.03838	1.2
165.05513	2.0
167.03491	1.2
177.01851	45.6
178.02629	25.4
179.03450	4.3
199.07607	1.5
201.05582	0.8
235.12070	0.9
243.10335	1.2
265.08954	0.9
267.10468	0.8
269.12070	0.8
281.12061	1.0
320.45239	0.7
351.16040	3.5
352.16937	4.3
367.19601	2.7
373.88629	0.8
412.18848	3.9
427.21851	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01731	0.4
57.03303	1.4
58.99983	0.5
59.01244	30.0
59.02354	0.4
59.02609	0.3
69.03299	0.5
70.99620	0.3
71.01241	23.8
72.54744	0.7
72.55116	0.7
72.99165	9.7
73.02808	11.7
73.06413	0.5
75.00723	0.4
75.48876	0.3
83.01235	6.1
85.02810	15.4
85.99979	0.5
87.00726	1.1
89.01809	0.5
89.02293	3.7
95.01217	1.5
96.95851	1.0
97.02792	0.9
99.00741	5.4
101.02305	37.8
102.02640	0.4
111.00722	1.2
111.04415	0.4
111.75233	0.4
113.02310	14.0
125.02283	1.6
129.01787	1.3
131.03349	0.9
135.08002	0.3
137.63931	0.4
143.03371	1.4
149.04512	0.4
159.02881	3.0
161.04453	15.6
163.33551	0.4
207.06589	0.6
214.16537	0.3
228.96861	0.3
235.11850	100.0
236.12181	2.9
253.25655	0.3
309.17105	0.7
315.48309	0.4
335.14993	2.8
339.04837	0.4
367.16110	68.4
368.16479	3.3
425.41397	0.4
427.16272	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56674	0.2
50.78930	0.3
55.03514	0.4
59.01236	1.4
60.41270	0.6
60.41559	0.4
71.00869	0.4
71.01236	4.4
71.82660	0.2
72.99136	0.4
73.02793	1.3
82.63478	0.2
83.01234	0.4
85.02795	2.0
89.02319	0.4
92.02531	0.4
95.01215	0.3
99.00713	0.5
101.02293	2.5
104.79269	0.2
105.51993	0.2
106.04086	1.9
107.04885	0.3
113.02300	1.7
119.04898	0.7
121.02820	1.7
121.69167	0.2
141.01791	0.4
149.06030	0.3
159.02954	0.4
161.04417	1.1
173.04417	0.6
190.85675	0.2
191.14302	2.4
203.14386	1.9
219.13850	30.2
220.14169	1.6
221.07053	0.9
221.15416	100.0
222.15742	5.1
235.13315	0.4
265.14444	42.1
266.14777	2.3
351.05887	0.2
374.37411	0.3
427.19720	20.3
428.19989	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51972	1.1
54.40011	1.1
55.93213	1.1
57.75061	0.9
77.22962	1.0
82.63538	0.9
106.04087	2.6
107.04885	2.8
108.38549	1.2
119.04887	16.8
121.02781	6.7
125.98785	1.0
125.99784	1.1
129.81279	1.2
132.53458	1.3
133.06474	4.4
144.48982	1.1
161.09515	1.2
175.11235	1.3
189.12798	1.4
217.15880	1.7
290.52744	1.3
301.25275	2.7
323.23804	4.0
325.25354	55.2
326.25684	3.8
345.24152	2.5
369.24356	100.0
370.24655	7.7
427.20352	8.7
428.20514	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	427.2126
Annotation	Kampanol A
Peak:m/z	Relative Intensity
52.85717	0.4
54.80172	0.8
54.80385	0.4
58.59510	0.4
59.01217	1.1
63.54866	0.4
77.03802	2.0
78.55374	0.4
89.03791	0.8
93.03296	0.9
95.04881	5.6
103.13988	0.4
105.03329	18.9
107.04871	1.4
108.02034	11.0
109.02121	0.9
109.02821	13.4
121.02822	1.4
122.03595	0.9
123.04398	9.7
132.02055	1.2
132.98692	0.9
133.02831	100.0
133.06468	1.4
134.03670	12.9
135.04405	7.8
137.02332	3.3
139.03856	0.9
139.47281	0.5
147.08020	0.7
149.02376	0.8
149.06079	0.8
150.03140	4.5
151.03928	0.7
159.04451	0.9
161.02409	0.6
165.05507	2.6
167.03430	0.6
176.95573	0.6
177.01849	43.8
178.02628	26.8
178.40526	0.5
179.03427	5.1
199.07643	2.4
201.05646	0.6
214.74809	0.6
227.07053	1.0
229.12383	0.8
231.13968	1.6
239.10741	1.0
242.13176	1.5
243.10313	1.1
251.07201	0.9
252.07867	0.7
265.08768	0.6
266.09473	0.6
267.10437	1.8
269.11942	1.2
270.12592	1.0
279.10187	0.6
281.11853	0.5
308.10626	0.6
309.11609	0.6
333.15417	0.6
336.24872	0.6
337.14584	1.0
351.16055	6.3
351.20023	0.5
352.16797	8.8
367.19205	5.7
369.13547	0.9
402.97073	0.5
412.18967	7.6
427.21616	39.4
428.21951	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	427.2126
Annotation	3-O-Angeloylsenecioodontol
Peak:m/z	Relative Intensity
56.97559	0.5
59.01233	1.7
61.98690	4.4
63.99113	1.0
64.06013	0.5
71.27145	0.5
72.39361	0.5
74.11522	0.6
75.16049	0.6
81.03304	0.6
84.53431	0.5
86.03817	0.7
93.03307	1.2
101.97150	0.5
107.04888	2.0
108.02033	27.1
109.02818	31.2
109.05733	0.6
121.02834	3.1
121.41273	0.6
122.03606	2.0
123.04398	17.0
133.02843	3.2
134.03619	6.2
135.04393	3.2
137.02330	2.0
139.03925	0.7
147.08058	1.0
149.02365	0.6
149.05948	1.0
150.03116	9.0
152.01120	0.8
159.04419	2.1
161.05989	0.7
163.03958	0.8
165.05481	6.3
173.05966	0.8
177.09079	0.8
178.02626	9.2
179.03447	2.7
185.05913	1.0
187.03906	1.1
187.07480	0.7
199.07607	6.1
200.08031	0.7
217.12361	0.8
227.07094	1.5
229.12425	1.2
231.13992	2.9
239.10855	1.4
241.12422	0.8
242.13152	2.2
243.10312	3.2
244.11205	1.1
249.09059	0.7
251.07141	1.9
252.07980	2.2
265.08783	2.4
267.10309	6.1
268.11066	0.8
269.11761	3.6
270.12650	1.6
281.11859	1.7
294.08881	0.8
299.65073	0.7
309.11252	2.3
309.14758	0.9
323.16507	1.6
335.16660	0.9
337.14413	1.8
351.16034	16.4
351.22617	0.7
352.16864	16.5
353.17227	0.9
365.17792	1.9
367.19150	7.7
412.18976	16.3
413.19150	0.7
427.21313	100.0
428.21652	8.1
445.27695	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91208	1.3
59.00972	2.0
59.01241	28.2
61.76705	1.1
62.93834	1.4
67.25468	1.1
75.35896	1.5
80.85767	1.6
106.04103	2.4
111.18189	1.3
119.04871	4.6
121.02828	4.7
132.98064	1.4
133.06491	2.0
159.01469	2.0
168.73959	1.5
174.99138	5.1
179.86218	1.4
186.85497	3.7
201.02507	18.8
202.02727	3.7
202.92831	2.0
202.96822	2.0
202.98640	8.8
203.02214	13.9
217.00247	2.6
220.88924	1.5
241.13979	1.6
241.84006	1.5
282.88821	1.6
284.98862	2.7
299.23752	2.3
301.25378	100.0
302.25610	2.9
344.99890	3.0
345.03754	7.9
345.24362	96.6
427.23590	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05443	0.3
55.76098	0.3
58.99981	1.7
59.01242	100.0
59.02327	1.3
60.01583	0.9
60.61790	0.4
61.98680	0.4
63.57460	0.6
72.06334	0.4
73.02814	1.3
74.23296	0.4
88.73059	0.4
89.02279	0.7
91.03873	3.3
93.03363	0.5
96.55779	0.4
119.04901	0.6
121.02859	0.4
134.10110	0.4
145.02852	1.0
173.04515	0.6
190.77728	0.4
195.13910	0.6
249.18597	2.1
265.22330	0.4
268.69983	0.4
275.20316	1.0
293.21234	16.5
294.21729	1.4
301.25476	0.7
305.17126	0.5
345.24353	0.8
427.21365	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00428	0.2
58.02822	0.2
58.42250	0.2
59.01239	0.3
59.71839	0.5
59.72093	0.3
60.55982	0.2
64.38644	0.5
64.38938	0.3
69.43411	0.2
70.72424	0.3
72.99165	7.2
79.95586	0.3
83.62842	0.4
93.03307	0.3
93.10299	0.3
96.95867	3.7
97.01024	1.6
102.32265	0.3
106.04147	1.1
107.04882	0.6
108.02020	0.5
109.02804	1.3
113.02243	0.2
119.04874	0.4
120.01118	3.4
120.01981	0.4
121.02827	1.3
122.03600	0.5
123.00750	0.2
123.71999	0.2
124.03380	1.2
125.02291	0.3
133.02841	0.3
134.03610	7.6
135.04347	0.9
137.02319	2.8
138.42889	0.2
147.04387	0.3
149.02306	0.5
149.09639	2.2
150.03143	0.5
153.01836	0.3
161.05989	0.3
161.09619	0.6
162.03127	17.6
163.03770	0.5
163.11183	6.2
166.02594	0.6
167.03470	0.3
175.11203	5.2
176.11554	0.3
177.01738	0.3
177.09123	14.7
179.10617	0.5
189.09096	1.4
189.10643	0.2
191.10699	49.7
192.11040	1.9
193.08682	1.3
193.12271	6.3
194.12617	0.4
201.09132	0.7
203.07095	0.4
205.08711	0.3
209.10045	2.8
214.30478	0.2
217.08784	0.4
219.10220	43.7
220.10655	1.9
221.08156	8.8
222.08519	0.5
253.09029	0.6
263.09219	4.4
280.15622	0.3
297.04175	0.4
307.08249	100.0
308.08585	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	428.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64485	0.4
56.40627	0.7
58.01698	0.9
58.02841	42.6
58.04093	0.5
59.01244	17.3
60.11580	0.3
61.98684	1.2
71.01238	7.4
72.99156	1.1
73.02802	6.5
75.00692	0.3
83.01242	1.1
83.90937	0.4
85.02802	1.7
87.00703	0.4
89.02303	3.0
95.01234	0.6
96.95868	0.9
101.02307	5.3
113.02310	5.7
115.00252	0.5
115.05392	1.0
119.03355	1.5
128.03391	1.1
130.08583	0.6
131.04898	3.9
133.06473	5.3
142.22061	0.3
143.04877	0.5
145.80171	0.4
146.04491	0.7
146.06046	0.5
147.04387	2.3
161.00719	0.6
161.04590	1.1
161.05975	31.5
162.06187	0.4
164.01674	0.4
164.07080	15.4
175.02319	0.6
179.05545	0.9
188.07057	1.5
189.05519	3.3
197.13528	0.4
201.05573	1.2
202.27383	0.4
206.00610	1.0
206.08173	100.0
207.08495	1.0
220.09761	2.8
230.08206	2.9
248.09280	30.8
249.09641	0.4
260.09351	1.1
263.40405	0.8
264.95352	0.4
278.10397	3.8
285.83704	0.4
310.12689	0.4
344.88354	0.4
428.16309	0.6
428.24670	0.9
429.09766	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98742	0.7
51.14816	0.8
51.57676	0.7
52.81570	0.8
52.97777	0.8
61.98697	8.4
92.55685	0.8
103.70644	0.8
106.04117	4.1
107.04893	3.0
108.02034	1.6
118.26456	0.8
119.04897	13.1
121.02803	5.5
133.06448	3.7
177.13736	1.2
197.12312	1.4
226.32526	1.2
299.23810	100.0
300.24237	5.1
301.24402	1.2
333.21271	1.1
343.22812	91.4
343.80154	1.0
344.22952	3.2
344.50549	1.0
345.23550	1.2
355.26758	1.3
356.26657	1.2
366.24631	1.2
402.23615	1.1
411.74301	1.1
427.24915	1.2
428.20444	14.5
428.25229	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01227	0.3
59.14663	0.2
65.28401	0.3
72.46443	0.3
72.99156	0.3
73.69655	0.2
74.75648	0.3
76.49271	0.2
79.95595	2.1
80.96365	0.5
81.03312	0.9
95.95100	0.3
96.93408	0.8
96.95873	51.4
99.04393	0.3
107.01316	0.3
108.02037	2.9
108.99926	1.0
109.02818	76.0
109.06091	0.6
110.03170	1.0
122.97446	1.0
123.04395	0.6
125.02308	0.6
133.25819	0.4
150.03149	0.6
151.00278	2.5
152.01027	1.7
152.97028	1.1
153.01830	100.0
153.07298	0.7
154.02171	1.1
156.69569	0.3
177.51683	0.3
207.02882	0.4
209.09868	0.3
216.38857	0.3
275.02280	4.3
301.07236	0.4
311.81531	0.4
369.09128	0.3
429.05029	20.9
429.10306	1.0
430.05374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05964	0.2
59.01238	0.3
59.89053	0.1
63.17415	0.2
64.49363	0.2
65.03799	0.3
66.80698	0.2
71.01247	0.2
79.95588	1.8
80.96365	0.6
81.03308	1.1
91.01756	0.4
91.72655	0.2
94.97946	0.3
95.95103	0.5
96.93625	0.6
96.95869	57.2
96.98468	0.9
107.01263	0.6
108.02035	3.6
109.02814	75.9
109.05904	1.1
110.03152	1.5
122.97456	0.8
123.00726	0.3
125.02319	0.7
126.72084	0.2
133.02806	1.4
150.03105	0.6
151.00264	2.5
152.01053	4.1
152.02180	0.3
153.01823	100.0
153.06993	1.1
154.02168	2.0
162.03116	0.5
163.03897	0.2
165.05518	0.5
177.01849	1.9
177.05482	0.4
178.99783	0.8
193.01430	0.2
207.02945	0.5
221.00822	0.4
275.02347	3.5
301.07199	0.4
313.07208	0.2
331.08160	0.4
347.73776	0.2
349.09244	0.4
357.02679	1.2
367.00827	0.2
390.93088	0.2
429.04999	20.8
430.05319	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36102	1.1
57.03321	4.6
59.01243	63.6
61.98692	6.9
68.99691	2.2
69.03312	5.7
71.01237	27.8
72.99164	11.0
73.02804	16.4
74.02306	1.5
75.00733	5.0
81.03313	3.8
83.01246	8.3
83.04881	2.2
85.02811	7.1
87.00740	9.0
87.05495	2.8
88.98660	8.9
89.02303	9.6
93.03339	4.0
93.94750	1.6
95.01238	5.0
95.04913	2.4
96.00767	4.7
97.02816	10.5
97.06448	21.4
98.02335	5.2
99.00744	2.8
99.04386	2.5
100.57005	1.5
101.02303	17.8
101.72375	1.6
107.04913	2.9
108.01978	1.8
109.01585	1.8
109.02827	6.5
111.00745	2.9
111.04369	1.7
111.08044	3.2
113.02301	11.3
113.03483	2.3
115.00259	6.1
117.01804	2.0
119.03414	2.2
120.99554	1.8
121.02837	4.5
121.06463	2.7
123.00729	2.9
123.04406	3.5
123.08028	4.9
124.98675	15.5
125.02305	8.1
125.05946	5.6
127.00238	1.8
128.03387	2.9
129.10208	2.5
130.08598	11.5
135.02849	12.2
135.04454	2.3
135.08028	3.1
136.05190	2.5
137.02339	5.1
139.03842	2.1
139.07523	16.8
141.01810	2.8
141.09108	7.4
142.99751	54.1
143.03334	1.7
145.15631	1.6
149.04492	2.7
149.09642	3.0
151.00258	2.1
151.03873	3.2
151.07504	9.7
151.45654	1.6
152.08313	3.4
153.01842	3.3
153.05402	2.7
154.99788	6.1
155.03389	3.2
161.02385	1.8
161.04459	5.7
161.09645	2.2
163.07578	2.0
163.11212	4.2
164.04634	2.4
165.05486	2.0
165.09135	2.2
166.08669	2.1
167.03325	2.5
167.07048	2.7
169.01448	2.1
172.13547	1.5
173.09651	3.6
175.02405	11.0
177.02042	1.7
177.05479	2.0
177.09177	6.4
179.03395	1.8
179.05605	2.2
179.07071	5.7
179.10779	2.1
181.01350	8.5
183.02953	3.1
191.10716	11.7
193.01369	2.4
193.08640	2.6
195.06569	4.4
197.04486	53.3
203.06956	2.1
203.10854	1.6
205.08624	5.6
207.10307	4.1
209.08250	2.4
210.07626	3.6
211.09718	6.7
213.00226	1.9
215.02019	2.1
217.08734	6.1
219.13857	9.4
223.06149	4.8
223.09790	5.7
235.09781	12.6
237.07504	2.1
239.09210	3.6
241.07146	100.0
242.07425	2.6
249.07660	4.8
249.14952	3.2
251.09180	5.5
261.07681	2.6
263.09210	2.9
267.08740	21.6
279.08789	21.1
299.20996	2.2
311.07755	3.7
321.09735	2.1
323.11334	2.9
323.16098	5.9
340.30051	1.8
369.19223	5.2
385.24762	2.9
387.20355	20.0
394.19839	10.6
411.23627	25.7
427.84393	2.0
429.10452	2.4
429.17682	3.7
429.23355	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	429.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.7
58.00454	2.4
59.01242	20.5
59.45405	1.9
61.98679	3.0
68.99671	3.8
69.03312	10.1
71.00878	3.5
71.01241	40.5
71.53420	2.0
72.99172	22.5
73.02799	18.9
75.00732	36.6
75.27893	2.3
80.02560	1.8
81.03323	5.6
83.01242	11.6
85.02802	20.7
85.06454	12.3
87.00726	11.0
88.98657	4.8
89.02284	6.2
91.73360	4.9
93.03323	3.9
95.01228	7.2
95.04896	4.5
96.99164	3.4
97.02801	19.3
99.00742	15.3
99.07999	6.2
101.02300	11.2
104.77247	2.7
105.01811	3.6
106.04125	3.9
107.04863	4.6
107.08532	2.7
108.02023	5.1
109.02811	13.0
111.00742	7.8
111.04436	3.4
111.08013	12.1
113.02308	11.0
115.00230	9.0
117.01828	2.6
121.02862	3.3
121.06453	3.4
122.03566	3.4
123.00744	5.3
123.04426	3.8
123.08044	10.8
124.01473	3.3
125.02317	10.4
125.09578	6.5
127.00246	8.7
127.07521	8.6
129.01843	3.9
133.10075	2.8
135.02853	8.8
135.08023	9.0
136.05170	2.5
137.02299	4.3
137.09586	16.8
139.00224	5.8
139.07541	30.3
139.11121	6.0
140.00978	4.7
141.01814	7.5
141.09061	13.5
141.34622	2.8
147.04424	5.3
147.08032	3.4
148.05212	4.1
149.02394	3.3
149.09622	17.2
151.03877	2.8
151.07526	19.3
151.11162	24.3
153.01819	7.4
153.09081	14.3
153.12666	4.7
159.02884	4.6
161.09592	6.8
162.06793	4.4
163.07523	5.2
163.11185	9.8
165.09085	28.3
165.12752	3.2
167.07060	19.3
167.10674	27.4
168.10977	2.6
169.08614	25.0
173.09464	3.2
177.09108	45.7
177.12698	3.9
179.07138	6.1
179.10664	13.8
181.08652	4.5
181.12242	4.9
189.09160	6.4
191.07042	4.9
191.10747	15.7
193.08612	30.7
193.12325	4.0
195.06522	4.4
195.10201	15.5
197.08167	6.6
203.10828	4.3
205.08667	13.3
205.12300	3.6
207.06589	3.2
207.10176	14.1
209.08118	4.1
211.09750	3.8
213.07570	14.6
217.08725	5.8
219.06592	2.6
219.10217	7.8
221.08076	17.3
221.11655	3.5
223.09691	7.2
225.07414	2.9
225.11198	3.2
227.03467	8.1
233.08197	5.2
233.11766	6.6
235.09769	14.2
237.11438	2.8
239.09219	100.0
243.10422	3.7
247.09743	3.2
249.07646	4.5
249.11452	4.9
251.09271	5.5
253.10820	4.7
255.03033	8.5
255.08786	9.2
257.06616	18.6
259.09769	3.7
261.07684	8.0
261.11240	2.9
263.09241	8.7
265.10852	8.2
267.08743	36.5
267.11572	1.9
269.10373	9.7
277.10880	5.3
279.08725	10.2
281.10382	7.5
283.11829	4.0
284.03259	8.0
285.03922	6.2
289.07291	3.7
295.08163	5.2
295.11722	5.4
297.09854	9.1
305.10272	3.1
307.04712	2.5
307.08398	5.7
309.09888	4.8
311.07996	2.6
311.11426	9.8
313.09113	3.3
313.12677	2.8
321.09937	5.3
323.11313	7.6
325.09274	10.6
337.09317	9.3
339.10864	15.2
341.12561	6.5
349.09262	11.9
355.10339	7.2
357.11896	5.1
367.10287	15.9
385.11462	21.2
393.08115	2.8
399.09454	3.4
411.09286	25.3
429.10410	26.5
429.20932	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	429.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	5.7
59.01236	35.5
63.61562	3.2
65.64826	3.2
67.73122	3.3
69.03310	14.0
71.01237	45.1
72.99168	30.7
73.02810	12.5
73.36024	4.0
75.00732	30.4
81.03323	4.9
83.01248	12.4
83.04874	6.2
83.40290	3.7
84.61440	3.3
85.02816	21.6
85.06460	10.7
87.00736	16.3
88.98640	6.6
89.02319	8.1
93.03356	5.3
95.01241	6.4
95.04879	3.6
95.53303	3.3
95.55004	3.3
97.02785	22.0
99.00726	26.4
99.04369	4.0
99.07984	7.3
101.02297	11.6
107.04860	6.6
108.02045	5.3
109.02837	12.2
110.03635	4.0
111.00732	7.9
111.04327	4.7
111.08026	11.4
113.02322	11.5
115.00275	7.5
116.95707	3.6
121.06459	4.3
123.04353	5.6
123.08024	18.9
125.02316	11.9
125.09572	6.1
127.00230	11.4
127.07491	10.3
129.05479	5.0
133.10172	5.0
135.02849	9.1
135.08037	8.8
136.05144	5.9
137.09557	18.9
139.00285	5.5
139.07539	32.9
139.11134	7.7
141.01813	7.8
141.09116	13.1
148.05113	4.2
149.09621	16.9
151.07552	17.3
151.11179	22.7
153.01848	9.4
153.09119	17.5
157.39037	4.0
159.02898	7.3
161.09610	6.1
163.07547	7.3
163.11168	9.1
165.09114	24.8
167.07065	29.6
167.10707	32.9
169.08566	38.1
173.09599	5.4
175.11084	4.5
177.09119	50.4
179.07034	10.9
179.10696	11.2
181.12239	4.2
189.09183	8.6
191.07144	6.4
191.10704	13.1
193.08627	34.7
195.10245	20.3
197.08136	6.0
201.09279	5.2
203.10898	4.0
205.08650	16.7
205.12302	4.9
207.10249	12.1
209.11786	6.5
210.57584	3.9
213.07642	16.0
219.10236	4.4
221.08093	18.5
223.09846	10.2
227.03511	22.5
233.08244	4.6
233.11781	9.2
235.09717	12.3
239.09222	100.0
240.09468	4.8
247.09805	5.2
251.09282	9.4
251.12859	4.4
255.03000	18.5
257.06628	22.7
259.09732	5.3
261.07764	8.0
261.11426	4.4
265.10904	7.2
267.08780	37.5
269.10349	14.4
279.08978	7.1
281.10330	7.6
284.03326	11.7
285.04044	9.9
295.08362	4.8
295.11804	4.7
297.10074	5.4
305.10361	6.4
307.07880	4.8
311.07532	4.4
314.41235	3.9
321.09320	4.8
323.11343	14.5
325.09357	13.3
328.13998	4.0
337.09146	9.6
339.10843	22.2
349.09161	12.2
355.10590	5.9
367.10461	23.0
378.11142	4.2
385.11362	19.1
411.09299	26.0
429.09802	29.7
429.21228	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	429.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64985	0.5
52.19395	0.5
53.43438	0.5
55.01727	2.0
57.03288	0.8
59.01244	10.1
60.52045	0.5
61.98669	1.3
65.18002	0.8
67.66668	0.6
68.99656	0.8
69.03258	0.7
70.68344	0.5
71.01237	13.5
72.99148	1.9
73.02782	1.4
75.00719	1.1
77.15871	0.5
78.25591	0.6
78.95724	0.8
81.03300	0.6
83.01247	5.0
85.02795	3.7
87.00214	1.1
87.00729	20.9
88.03874	1.1
89.02260	1.6
93.03287	0.7
96.95835	1.3
97.02776	1.4
97.06412	2.0
97.96163	0.6
99.00692	2.8
101.02262	2.1
102.05414	0.9
106.04088	0.7
108.02067	0.6
109.02757	0.8
111.00682	1.6
111.04266	0.6
113.02307	3.0
115.00236	41.7
121.02819	1.1
123.00721	0.9
123.07985	0.7
123.96932	0.6
125.02295	1.4
127.00201	1.3
127.03921	0.6
127.04926	1.3
128.03426	3.4
129.10190	0.7
130.08546	2.8
134.03618	17.9
135.02849	1.6
135.08022	1.2
137.02260	2.0
138.05418	0.8
139.03865	0.9
139.07446	0.9
142.99719	3.1
145.06029	2.3
146.04405	0.9
147.04344	0.8
147.08055	0.8
149.05026	0.7
149.05969	7.7
149.09570	0.9
151.07439	2.5
153.01709	1.3
154.99742	30.1
156.00133	0.8
159.07947	0.9
161.09496	1.3
163.07491	1.5
165.05421	0.8
165.09067	1.2
167.06978	1.6
169.08488	1.2
174.96387	0.8
175.02388	51.7
175.07443	1.0
175.08867	0.7
175.11116	1.6
175.55621	0.8
176.02612	1.1
177.09077	3.5
178.02663	5.9
179.06999	1.1
181.08539	0.6
181.12126	1.3
184.13512	0.7
189.09010	1.1
191.06996	0.7
191.10486	0.8
193.04980	9.2
195.06450	1.1
197.04555	3.0
205.08601	1.6
205.11867	0.7
209.08014	1.7
213.07585	1.1
217.08638	0.9
221.08263	0.8
223.09587	0.8
223.13350	6.1
233.08205	3.1
241.06995	2.9
261.07632	3.0
267.12219	2.2
284.23944	1.0
300.19110	0.8
367.09854	1.3
385.24307	0.8
411.09152	1.3
411.22220	1.5
428.19437	0.8
429.10065	100.0
429.22437	6.4
430.10373	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	429.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39614	1.3
53.07553	1.4
53.72883	1.3
56.23848	1.3
57.03301	1.5
59.01231	6.5
61.33950	1.4
61.98678	5.1
69.03286	1.7
71.01235	2.0
72.99162	7.8
73.02787	8.2
79.61363	1.3
81.03312	1.5
83.04906	3.0
85.02758	1.7
90.33939	1.4
96.95860	1.6
97.02816	2.0
97.99925	2.3
101.02303	4.6
108.02014	1.9
109.02839	9.0
113.66634	1.5
123.04405	3.4
124.01521	10.8
125.02328	4.4
133.06480	2.1
134.79909	1.6
135.04373	3.8
137.06004	2.5
139.03853	6.0
139.11174	5.6
140.33374	1.6
144.93207	1.8
147.04411	4.4
148.05191	7.0
149.05914	2.2
149.09563	1.9
150.03142	2.8
151.00275	2.6
151.03876	5.5
152.01016	2.3
153.01794	6.0
153.12648	1.6
161.05966	46.2
164.04654	1.6
166.02644	7.4
174.06740	2.8
175.07472	2.6
177.12805	2.5
181.04993	3.6
181.08607	2.2
187.07599	2.2
199.07550	2.0
201.05484	3.5
201.09151	6.4
202.09795	2.0
205.16003	1.9
211.07582	3.0
212.08380	18.5
215.07063	4.2
215.10725	3.2
219.06567	7.2
229.08684	3.2
230.09454	16.2
231.10017	1.7
231.13905	4.3
243.17607	5.0
249.14827	2.5
259.17023	4.0
261.18661	6.4
269.15430	20.9
275.12903	4.6
277.14392	1.9
278.14273	1.7
285.14978	3.0
287.16522	88.4
288.16821	2.9
293.14243	2.0
305.17566	9.1
312.10101	3.0
313.14429	8.8
319.16080	1.6
320.12759	3.0
327.12393	3.4
331.15527	100.0
332.16068	2.9
347.14990	2.6
349.16602	16.8
375.14526	5.0
391.14014	14.0
393.15567	32.4
396.82913	1.7
429.19351	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	429.132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57714	1.6
59.01243	14.2
61.98674	2.2
70.27439	1.8
71.01233	5.1
72.99151	3.8
85.02815	2.4
89.02283	4.3
89.27103	1.9
98.24050	1.9
101.02316	3.0
113.02287	3.7
119.04901	3.0
121.06441	3.4
124.01515	2.2
134.03638	5.3
135.04358	2.5
147.04385	3.1
147.51993	2.3
149.05898	3.0
160.58453	2.4
165.05457	9.8
181.08609	33.4
198.72015	2.6
209.08107	27.8
210.08916	5.9
211.09572	2.6
225.11369	5.6
227.03444	29.1
239.09258	2.7
255.02948	28.8
256.03510	3.2
275.16675	3.2
284.03204	27.9
285.04059	16.9
303.15933	2.9
331.15576	18.0
347.15155	12.8
375.14517	7.1
393.08066	2.5
393.15753	4.1
429.08124	27.9
429.13242	100.0
430.08340	3.8
430.13635	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	429.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	5.1
61.62589	1.3
62.48411	1.4
67.19387	1.7
72.99161	7.7
75.62146	1.7
77.60831	1.6
81.07616	1.6
84.55122	1.4
96.27932	1.7
99.00739	2.7
109.02839	2.8
113.02328	2.3
125.02263	1.9
131.41913	1.6
135.04346	1.8
175.07552	4.0
181.08604	9.3
183.06552	2.9
193.87564	1.7
209.08031	2.4
269.15439	4.1
275.16531	2.7
280.07495	5.2
295.09720	2.0
313.14590	2.9
331.15628	4.9
349.16513	2.7
369.10056	8.1
375.14502	4.1
393.15558	55.7
394.15936	3.9
429.13220	100.0
430.13461	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	429.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04337	1.5
54.03979	1.6
57.03313	1.5
59.01243	34.4
65.13931	1.8
71.01229	8.5
72.99176	3.2
75.00730	2.4
81.00185	1.8
83.01247	2.3
85.02811	4.3
87.00715	1.8
89.02315	5.3
95.04885	1.9
96.11009	1.9
96.95868	31.7
101.02310	4.6
107.04893	4.4
108.02018	3.1
109.02818	17.2
113.02312	11.2
119.04824	2.1
121.02757	4.2
121.56683	1.8
125.02344	2.8
133.02876	4.2
133.06520	3.0
135.04385	2.5
135.08054	4.5
149.02347	8.4
153.01833	17.5
161.04562	2.1
161.05939	3.5
161.09709	2.6
162.06831	2.3
163.00267	1.9
163.07544	37.1
165.05559	2.9
169.12238	3.4
173.02356	3.2
177.01851	16.4
178.94783	2.8
178.99744	3.0
187.07629	4.6
193.05003	3.5
205.08626	14.1
207.06575	100.0
207.08565	4.8
208.06833	3.4
208.09740	2.5
217.08669	3.8
218.02112	2.1
221.08121	3.4
241.04990	4.2
243.02914	2.2
249.07713	11.5
251.03807	2.4
253.05075	6.3
269.04572	5.8
271.78693	2.8
281.04495	3.4
291.08710	2.6
297.04013	5.4
297.17087	3.2
309.04025	4.8
318.36887	2.4
323.02072	5.5
324.83719	2.4
341.03061	3.1
353.02939	11.5
383.13516	2.7
385.05804	6.5
397.02133	3.1
429.04669	8.7
429.14365	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	429.1403
Annotation	Polygalatenoside C
Peak:m/z	Relative Intensity
57.03323	0.9
58.00454	1.6
58.99927	1.1
59.01241	100.0
59.02393	2.0
60.01579	0.5
61.98689	4.4
70.99520	0.6
71.01237	52.3
71.02774	0.8
72.01586	0.7
72.99152	3.2
73.02798	1.5
78.95750	0.7
83.01237	3.8
83.41476	0.4
85.02807	10.5
87.00733	12.3
88.99899	1.0
89.02296	68.8
89.04449	1.1
90.02639	0.7
95.01225	3.6
96.95837	1.1
97.02805	0.6
98.02378	0.6
101.02301	36.0
105.01810	0.6
111.00713	0.4
113.02306	22.2
116.03409	1.4
118.16474	0.4
119.03367	30.4
119.06728	0.5
125.02342	0.5
127.03935	0.5
128.03415	1.7
131.03386	2.4
131.04834	0.4
138.27815	0.4
140.22438	0.5
143.03401	3.5
143.04491	0.7
146.03616	16.4
149.04416	2.5
160.02440	1.9
161.04468	2.6
161.05995	5.9
164.04680	10.7
175.02452	0.4
179.00317	0.6
179.05542	7.4
179.07019	49.0
179.13284	0.7
180.07402	1.8
181.12259	1.3
193.05124	0.6
205.08650	0.5
227.13988	0.6
232.04565	0.6
240.29565	0.4
249.08067	11.3
267.08804	1.7
325.26950	0.7
367.06848	0.5
429.14069	16.6
429.23718	1.3
430.14542	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Celerioside A
Peak:m/z	Relative Intensity
55.01741	0.5
57.03317	1.5
58.00462	0.8
59.00063	1.3
59.01243	64.6
59.02570	0.7
69.24915	0.4
71.01241	28.3
72.99177	1.4
73.02816	1.2
80.25899	1.1
80.26346	0.7
83.01254	1.8
83.04878	2.6
85.02806	6.1
87.00721	0.6
89.00050	0.6
89.02299	32.8
91.73400	0.6
92.81834	0.4
95.01259	2.1
99.08018	3.5
101.02301	18.7
111.08025	1.4
111.35212	0.4
113.02303	12.1
119.03376	12.9
125.56660	0.5
130.62917	0.4
131.03342	1.0
143.03377	1.0
149.04729	0.8
149.05963	7.3
153.52161	0.5
155.07037	17.5
156.07832	3.5
161.04480	0.6
161.92831	0.4
177.69641	0.6
179.05588	1.2
188.06808	2.5
205.15921	1.8
223.68642	0.5
223.95316	0.5
231.13814	0.7
249.14946	81.7
250.15276	3.2
251.16359	0.6
267.15955	0.5
297.07071	0.5
300.17377	0.6
429.21317	100.0
430.21735	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	429.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79579	0.2
56.24881	0.2
65.99709	0.2
69.59097	0.3
76.34559	0.2
80.02528	1.1
81.03311	1.0
91.73367	0.3
95.01255	0.9
97.11909	0.2
107.01241	0.8
108.02033	25.3
109.02858	3.9
111.00724	1.0
123.00752	1.3
124.01514	0.9
125.02297	1.6
129.25844	0.2
133.02782	0.3
151.00272	1.3
151.96217	1.2
152.01042	100.0
153.01738	2.5
184.87003	0.3
229.56256	0.4
367.22723	0.4
385.23862	5.2
411.34671	0.3
429.22931	6.6
430.23248	0.4
451.41208	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	429.2284
Annotation	CJ 15544
Peak:m/z	Relative Intensity
55.96490	0.2
57.03304	0.2
57.99449	0.2
59.01242	3.9
59.10004	0.2
61.98689	0.4
64.68565	0.2
65.99779	0.2
69.71387	0.2
83.18143	0.2
85.02747	0.5
86.45242	0.2
90.82880	0.3
93.03322	0.5
97.10433	0.3
97.24969	0.5
97.25512	0.3
99.08031	0.3
99.37926	0.3
100.38549	0.2
108.02038	11.4
108.02782	0.6
109.02818	5.3
114.50319	0.3
121.02832	2.0
122.03632	1.8
123.04391	5.5
133.02827	0.6
134.03644	1.2
135.04376	2.6
136.01610	0.3
149.05908	0.9
150.03119	5.3
159.04385	1.6
165.05475	4.3
172.05202	0.4
176.08354	0.3
177.09099	0.3
183.76790	0.3
185.06004	0.7
187.07552	0.3
189.05516	0.4
190.06242	1.3
191.07011	0.8
197.06160	0.3
198.06847	0.4
200.04752	0.3
205.08658	0.3
211.07520	0.3
213.12880	0.4
215.14377	1.0
225.12808	0.4
226.06284	1.4
227.07098	1.7
229.85983	0.3
231.13919	0.4
236.08322	0.3
237.09218	0.6
239.10791	0.6
241.08641	0.4
241.12344	0.4
243.10191	1.6
244.11058	0.3
249.09158	0.6
250.10170	0.3
251.10854	1.9
253.08801	0.7
253.12291	0.4
254.09613	0.3
255.10324	0.7
257.11719	0.4
267.10321	0.5
268.10983	0.6
269.11859	8.7
270.12640	2.2
271.13345	0.5
279.17551	0.3
283.13409	0.8
284.10925	0.6
284.14169	1.4
292.11032	0.3
298.12085	0.3
298.48270	0.3
305.15778	0.3
307.17059	0.4
310.12048	1.5
311.12845	2.2
321.15048	0.4
323.13080	0.4
323.16602	3.2
325.14471	0.9
325.18130	0.6
335.16498	2.9
336.17270	2.2
337.18112	3.9
351.19635	1.8
353.17627	15.6
354.18396	24.6
355.18802	1.1
367.19086	0.8
368.19962	1.9
369.20734	12.8
370.21176	0.8
411.22211	0.3
414.20572	11.8
415.20865	0.6
415.26083	0.3
429.22858	100.0
430.23239	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2282
Annotation	Kuguacin K
Peak:m/z	Relative Intensity
57.38212	0.4
59.01234	0.9
59.74358	0.7
65.99700	1.3
67.01742	1.3
68.99636	0.5
69.03326	0.6
71.75968	0.3
79.01773	0.4
80.02520	1.3
81.03313	6.0
83.01260	0.4
87.16472	0.4
91.57090	0.3
94.88560	0.3
95.01237	3.4
97.02823	0.6
100.59117	0.3
101.29755	0.4
107.01244	4.3
107.99012	0.6
108.02030	38.1
109.02820	13.4
111.00757	3.0
121.02811	0.6
123.00751	3.8
124.01543	2.9
125.02310	7.6
139.00215	1.0
151.00255	16.3
151.96045	1.1
152.01039	100.0
153.01837	9.6
306.13000	0.4
320.76328	0.4
349.81952	0.4
367.22861	1.9
373.26929	0.4
385.23904	8.7
386.24139	0.5
429.22855	33.7
430.23157	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	429.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16945	0.3
53.73242	0.3
56.20247	0.3
59.00074	0.4
59.01241	16.4
60.39295	0.3
70.99681	0.3
71.00877	0.6
71.01241	9.5
72.42403	0.4
72.99186	0.6
73.02807	0.5
77.20522	0.3
80.26989	0.4
83.04855	0.7
85.02791	1.2
87.00751	2.7
89.02296	15.1
95.01246	0.4
98.15134	0.4
101.02296	2.8
102.81864	0.4
107.04887	2.5
113.02302	2.5
117.03295	1.1
119.03360	1.4
119.04865	1.8
120.75001	0.3
121.02832	0.7
131.03377	0.7
133.02806	0.4
136.45049	0.4
141.01634	0.5
143.03392	1.0
145.02824	2.8
149.04506	0.5
161.04453	2.5
163.03928	0.6
179.05530	11.4
205.19559	0.8
223.92186	0.5
231.17607	0.6
249.18585	100.0
250.18938	4.5
286.63583	0.4
295.54654	0.4
331.18909	1.6
411.23691	0.5
429.26471	11.0
430.26752	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2642
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
57.03313	4.5
58.00455	1.0
59.01236	1.3
63.69695	0.4
65.03787	0.5
71.20605	0.5
85.02808	2.2
87.00728	0.4
87.04371	11.0
88.54722	0.7
88.55172	0.5
92.02524	1.0
93.03302	1.9
102.93204	0.6
106.04104	2.1
107.04887	18.7
108.02036	0.8
108.05228	0.6
119.04896	5.9
120.05630	0.6
121.02827	6.1
124.91534	0.6
130.19891	0.5
133.02826	1.1
135.04347	0.5
162.23386	0.5
171.62935	0.5
175.11168	4.4
187.11224	0.9
201.12939	0.5
228.50966	0.5
241.96507	0.5
295.20428	0.7
297.22232	29.6
298.22601	1.5
309.22275	2.0
327.23584	0.8
349.25464	2.0
354.60431	0.6
385.27573	1.5
398.34479	0.6
429.26471	100.0
430.26974	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2644
Annotation	Gordonoside A
Peak:m/z	Relative Intensity
54.38575	0.7
59.01225	0.9
82.14076	0.8
92.02525	1.8
93.03309	23.6
95.01244	0.8
97.69791	1.4
97.70322	0.8
100.03535	0.7
108.02088	1.4
121.02821	5.5
126.49095	0.8
134.68649	0.8
135.04396	2.1
139.77829	0.8
147.04495	1.5
148.45558	0.8
158.03615	0.9
158.70436	0.9
159.04425	1.3
172.05267	0.8
175.03972	0.9
217.12274	1.4
219.55351	0.8
286.66620	1.0
315.22778	0.8
325.68246	1.0
339.26974	1.0
355.26450	1.6
357.28006	100.0
358.28375	7.6
367.26321	2.2
385.27451	31.7
386.27853	3.1
411.25470	2.6
427.91861	0.9
429.26437	76.1
430.26807	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	429.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02816	3.5
58.91702	1.6
59.01251	2.7
60.99163	1.6
70.02834	2.9
71.95042	1.7
72.04397	3.0
74.02330	35.6
77.44372	1.6
83.02361	1.9
86.02353	1.7
87.05495	79.2
96.95928	1.8
97.03927	2.9
98.02346	9.3
99.05502	89.5
104.03392	10.5
113.03449	2.5
115.05019	4.5
117.06557	20.5
129.06575	15.3
131.04488	6.5
141.06580	30.8
159.07631	6.6
161.02368	2.0
173.05641	16.7
203.06795	2.4
219.56967	2.2
307.81232	2.1
311.16907	2.6
342.26575	6.9
348.04117	2.4
399.28653	37.4
400.29068	3.1
411.28885	3.8
429.29733	100.0
430.30234	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	429.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23324	0.6
58.02838	1.1
58.76040	0.6
59.01242	4.2
77.25890	0.6
81.03305	1.8
82.02844	1.9
84.04396	0.9
93.03326	0.8
123.04375	2.1
132.18671	0.6
159.76559	0.6
212.43777	0.6
255.23100	1.1
270.71875	0.7
300.26993	7.9
301.25153	0.9
319.88086	0.6
326.28564	1.3
340.26508	1.3
340.30145	1.6
342.12326	0.6
343.26233	0.8
344.26056	2.4
347.25388	0.7
367.31204	16.3
368.31573	1.0
385.27661	1.3
385.32309	2.5
411.30087	11.6
412.29303	1.7
429.26730	4.8
429.31253	100.0
430.31564	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	429.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22514	0.3
57.03324	0.6
58.60918	0.3
59.00069	1.8
59.01243	100.0
59.02555	1.2
60.01586	0.7
63.57630	0.5
84.79607	0.3
91.72811	0.6
93.03313	1.4
101.38046	0.3
107.04913	0.4
119.01444	0.4
119.04970	0.4
121.02808	0.4
158.45593	0.4
164.56316	0.4
173.04486	0.4
211.33340	0.3
255.23328	3.1
265.25443	1.0
272.48874	0.3
287.23877	1.6
307.30347	0.4
325.25494	0.6
331.22733	1.6
357.27994	5.0
358.28491	0.5
369.24323	1.0
369.33759	5.8
370.34253	0.6
385.27670	1.6
426.20337	0.4
429.20306	0.7
429.26309	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	430.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52204	0.8
56.10823	0.9
58.65609	0.9
59.01249	2.0
63.34109	1.0
71.51425	1.1
83.22683	1.1
85.02784	1.8
85.97937	1.2
98.41481	1.1
104.82584	1.1
108.95415	1.0
119.04935	1.2
129.72534	1.2
149.87245	1.3
301.25391	2.4
340.30121	13.9
341.30612	1.5
342.31421	1.9
345.24188	2.7
368.29565	8.6
386.30658	20.0
412.28555	25.7
413.28891	3.5
430.29651	100.0
431.15115	1.4
431.29880	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	431.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30637	1.2
57.89650	1.5
59.01242	5.1
60.95831	1.2
61.98690	2.1
65.03821	2.8
71.01225	1.5
73.19155	1.3
83.04890	1.5
84.78612	1.5
85.02806	1.6
85.22528	1.3
88.98660	2.0
89.02303	1.8
91.01759	2.3
91.72709	3.0
93.03323	11.5
94.59257	1.4
95.04907	2.6
96.83192	1.2
96.95882	4.5
98.95470	3.5
99.00741	4.8
101.02282	1.6
105.03375	1.8
107.01261	7.5
108.02023	2.2
109.02808	13.6
119.01260	3.5
121.02822	47.1
123.04389	5.3
125.02358	1.7
133.02835	10.4
135.00790	4.4
135.04381	10.6
137.02309	14.8
139.03914	3.4
145.02902	2.5
147.00769	8.3
148.01590	1.4
149.02335	100.0
153.00540	1.6
153.01813	5.8
161.02336	4.0
163.00272	5.0
163.03996	2.8
165.01840	10.9
167.03418	12.8
173.02492	1.8
175.00298	16.8
177.01868	11.5
178.99774	27.2
179.03401	1.5
180.07861	16.9
181.01353	12.8
181.06609	2.0
190.99792	4.7
192.07846	12.2
193.01358	60.4
193.08653	3.0
194.01706	1.7
195.10188	8.0
205.01352	8.9
207.02928	23.0
207.04634	2.1
207.10243	9.7
209.00836	2.8
209.06113	3.4
210.08907	9.3
218.99315	19.6
221.01158	1.7
224.04692	2.6
225.05455	8.7
225.11311	38.5
233.00874	13.9
235.04074	4.3
237.00430	5.5
253.05031	22.1
269.04688	12.3
279.03030	5.7
281.04568	13.4
295.02612	2.3
297.04129	10.5
307.02518	5.1
313.03622	2.6
323.02026	2.9
325.03610	15.0
341.02975	6.8
343.04611	4.1
351.01602	3.6
367.00891	1.7
369.02585	36.0
387.03577	13.0
395.00201	7.5
413.01566	41.8
431.02591	45.7
431.11520	2.6
432.03143	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	3.3
59.01242	43.5
60.20766	3.0
71.01236	12.0
73.02779	3.6
80.15417	3.5
83.18114	3.5
85.02816	6.2
86.64654	3.3
87.00701	4.4
89.02285	7.2
101.02268	7.3
113.02315	6.5
119.75099	3.6
173.04456	8.7
175.02338	5.7
188.76643	3.8
227.03435	73.2
255.02975	91.0
256.03635	10.1
271.74954	4.8
284.03284	87.4
285.04013	62.5
431.09857	100.0
431.22836	14.9
432.10254	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	431.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15862	0.1
55.45894	0.1
57.54554	0.1
63.02246	0.4
63.39096	0.1
65.00190	0.3
67.35153	0.2
71.13292	0.2
78.34606	0.1
83.01231	0.4
91.01752	0.4
91.72904	0.5
93.03317	1.3
107.01244	2.0
109.02823	0.9
117.03309	0.4
120.02073	0.2
123.00626	0.2
125.02293	0.3
131.04933	0.3
132.02014	0.8
135.00752	1.7
137.02293	0.3
141.06915	0.4
143.04889	0.7
145.06410	0.2
151.00272	1.2
153.01813	0.5
154.04190	0.2
155.04918	0.4
156.05684	0.3
157.06462	0.9
158.03607	0.2
159.04405	1.4
163.00266	2.1
164.01018	0.5
165.01776	0.4
167.04875	0.6
169.06467	0.6
170.03595	0.2
171.04434	0.7
173.05997	0.4
174.03220	0.2
180.20802	0.2
182.03641	0.6
183.04430	1.4
185.02370	0.5
185.05969	1.8
187.03935	2.8
188.04181	0.2
189.05489	0.9
190.99696	0.3
195.04445	0.7
196.05170	0.3
197.06018	1.2
198.03159	0.4
199.03903	0.9
200.04733	0.3
201.05473	0.4
211.03949	3.0
212.04727	0.5
213.01982	0.2
213.05481	1.7
214.02554	0.2
215.03447	0.3
223.03984	0.2
226.94580	0.6
227.03456	54.2
228.03822	2.6
229.05016	9.6
230.05405	0.5
239.03461	1.7
240.04185	0.6
241.05019	1.6
243.03040	0.3
254.92458	0.7
255.02974	76.2
256.03583	7.8
257.04553	6.1
258.04874	0.2
267.02985	0.6
269.04498	0.2
283.02435	0.4
283.90948	0.7
284.03265	66.6
284.91757	1.0
285.04037	100.0
286.04416	4.7
327.05087	0.4
431.09836	57.9
432.10196	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	431.0984
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
54.80626	0.4
54.89910	0.2
59.00980	0.2
59.01242	3.6
61.98672	0.9
63.02245	0.9
65.00175	0.6
71.01234	0.4
78.95757	0.6
83.01228	0.9
83.61881	0.2
83.79175	0.7
83.79717	0.4
85.02812	0.3
89.02277	0.5
90.07397	0.2
91.72885	0.2
101.02293	0.3
107.01241	2.1
113.02316	0.3
115.28472	0.2
117.03316	1.5
121.02821	0.3
137.05911	0.2
148.01535	0.5
149.02357	1.2
149.99435	0.5
151.00253	3.9
169.01320	0.3
171.04385	0.8
172.05174	0.8
176.94939	0.2
182.62123	0.2
183.04453	0.4
184.05122	0.4
191.10478	0.2
195.04419	0.6
196.05203	0.8
199.03973	0.3
200.04782	0.9
211.03992	1.9
212.04703	0.8
223.03769	0.2
224.04797	0.3
225.05402	0.3
227.03528	0.6
239.03484	4.5
240.04236	5.0
241.04649	0.3
255.03078	0.3
261.97522	0.2
267.03036	2.0
268.03778	100.0
268.14923	1.0
269.04504	26.7
270.04947	0.9
281.04712	0.3
283.06039	0.6
284.03445	0.4
285.03891	0.6
311.05560	1.3
341.06534	0.3
355.39136	0.2
431.09851	75.7
432.10190	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	431.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71365	0.2
58.89254	0.2
59.01237	1.8
59.47903	0.2
60.99169	10.8
71.01228	1.3
72.34816	0.4
81.50991	0.2
81.71839	0.3
85.02811	2.2
87.00742	0.8
88.96497	1.6
88.98660	100.0
89.01110	1.1
89.02293	19.4
89.99005	1.0
90.78562	0.2
91.10052	0.2
91.24196	0.3
93.03298	0.7
101.02331	0.6
102.93814	0.3
119.03396	0.5
124.35362	0.3
127.04002	0.3
165.05508	0.7
179.05527	0.8
191.05539	20.5
192.05923	0.6
203.05295	0.3
305.90598	0.3
341.10892	3.7
419.38281	0.3
440.15518	0.3
451.58652	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92286	0.5
58.99984	1.5
59.01241	100.0
59.02346	1.6
60.01577	1.0
60.90540	0.4
62.45447	0.5
63.57417	0.6
67.34359	0.4
72.23830	0.4
91.01775	1.3
91.73292	0.5
103.12293	0.4
109.02830	1.6
119.01245	3.3
121.02818	3.5
125.02311	0.5
133.06477	0.4
137.02330	7.0
143.04898	2.1
147.04457	0.7
149.02359	0.9
151.00278	1.0
152.00980	0.4
153.01859	1.2
161.06026	1.3
177.05573	0.5
209.98517	0.4
221.08247	0.8
265.07315	0.6
305.49051	0.5
371.11359	13.1
371.15848	0.8
372.11728	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96634	0.2
59.00010	1.8
59.01242	100.0
59.02293	1.1
60.01586	0.5
61.36351	0.2
63.88465	0.3
63.98530	0.2
82.01761	0.2
88.34093	0.2
109.02832	0.8
121.97775	0.3
139.40009	0.3
142.72638	0.3
160.05322	0.3
167.03445	0.4
179.03410	0.4
187.06305	0.3
189.05614	0.8
191.07248	0.4
219.06445	1.3
371.11450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94179	0.1
59.00073	1.9
59.01242	100.0
59.02610	0.7
60.01582	0.7
61.98691	0.4
65.30609	0.2
70.87304	0.1
70.93940	0.2
72.99177	1.1
75.73114	0.2
78.05485	0.2
79.32281	0.2
84.94926	0.1
85.01247	0.1
93.03339	0.4
96.52882	0.1
108.02084	0.2
109.02840	0.4
117.89971	0.2
121.02855	0.2
147.04388	0.3
149.02345	0.2
153.01857	0.5
173.04535	0.6
177.05463	0.4
193.04980	0.3
205.05017	1.2
237.75922	0.2
242.91107	0.2
257.08359	0.2
311.05817	0.3
367.20871	1.0
368.21487	1.1
395.17279	0.4
431.13330	0.3
431.18655	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11460	0.2
58.00449	0.4
58.21286	0.2
59.01241	22.9
59.02454	0.3
61.98686	0.3
68.14433	0.2
68.99674	0.4
70.43793	0.2
71.01242	0.6
72.99152	0.5
73.33552	0.2
81.03336	0.3
90.02083	0.2
91.01770	1.5
93.03314	6.7
95.04869	0.5
102.11847	0.3
105.03336	0.6
107.04877	3.0
108.02007	1.1
109.02806	3.6
113.02291	0.4
113.09211	0.3
119.01282	0.6
121.02818	14.9
121.06316	0.3
123.04378	6.5
125.02197	0.3
133.02826	2.8
134.03598	0.7
135.04428	2.0
136.01488	0.4
137.02373	0.3
145.02805	0.9
146.03622	0.6
148.11096	0.3
149.02336	8.7
150.03113	4.4
151.03893	8.3
152.01027	0.5
153.01808	1.0
159.04448	0.3
161.02338	2.2
161.05966	0.8
162.03107	1.4
163.03891	0.9
165.01840	3.8
177.01826	3.4
178.02657	0.5
179.03404	100.0
179.09827	1.0
180.03731	2.0
191.03401	3.7
195.02887	0.4
209.04497	15.5
210.04845	0.3
251.07181	0.6
357.13287	0.3
371.18713	0.8
393.15546	0.9
431.04199	0.5
431.12793	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00137	1.6
59.01243	100.0
59.02510	1.2
60.01586	0.6
63.58183	0.7
65.81201	0.4
71.01250	2.9
73.02813	0.6
85.02811	0.8
89.02324	1.6
101.02328	1.4
109.02818	1.3
113.02324	0.5
116.15592	0.5
119.03366	0.7
121.02829	0.6
125.06039	0.5
134.03621	1.0
137.05986	0.5
145.52174	0.5
147.04427	0.5
153.01848	1.6
161.04427	0.6
162.03120	34.5
177.05489	46.1
178.05846	1.5
198.71400	0.5
239.93280	0.5
251.16512	3.6
268.07401	0.5
281.70233	0.5
330.30447	1.3
375.34644	1.0
383.18735	0.9
387.21896	0.8
431.13596	1.0
431.22900	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	431.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	1.3
60.99142	0.2
66.20000	0.1
67.01743	0.3
71.01243	0.7
71.35252	0.2
73.02801	0.4
81.03294	0.2
83.04885	0.3
83.63621	0.1
84.79991	0.2
85.00522	0.2
85.02802	8.2
85.04776	0.1
87.00730	1.6
88.98660	0.7
89.02291	1.6
89.85526	0.2
93.03313	2.4
99.04372	0.3
109.02789	0.6
111.04362	1.0
113.02291	0.3
120.94547	0.1
127.03881	1.9
137.02324	0.2
171.02861	0.7
173.04430	0.9
189.07570	0.3
190.97803	0.7
191.05528	100.0
191.12303	1.1
192.05885	2.4
248.06924	0.2
331.15344	0.2
341.10889	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04615	1.1
59.01245	2.4
60.06371	1.2
62.69869	1.1
64.33244	1.1
66.71133	1.1
73.35401	1.1
76.75862	1.2
80.71309	1.2
87.94229	1.2
107.04893	9.2
119.04910	2.9
121.02858	1.7
133.06461	5.9
135.04428	9.5
168.35243	1.6
179.03416	2.1
195.01064	1.6
207.31514	1.4
237.22160	1.5
259.59506	1.6
269.46002	1.4
271.20651	37.4
273.22287	4.0
287.23703	2.9
343.17291	31.8
344.43436	1.6
345.15359	2.2
361.18661	7.2
363.16412	1.8
369.28036	8.0
375.16382	2.8
387.16260	29.9
405.17288	18.2
413.27109	8.2
431.15274	100.0
431.28098	12.1
432.15543	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	45.5
61.98696	7.2
71.01244	6.4
73.02807	1.3
75.00748	1.0
78.90736	0.9
79.95608	2.1
80.96404	1.1
83.01243	2.9
84.02018	1.0
85.02814	7.5
87.00754	1.2
89.02312	6.8
89.30820	1.0
95.01208	1.0
95.95102	4.6
96.95247	1.9
96.95865	26.8
98.95444	1.8
101.02307	6.7
108.02039	1.6
109.02792	5.7
113.02317	9.6
119.03344	2.5
123.04359	1.7
125.02301	2.2
135.04369	1.6
139.00226	2.9
140.01047	1.9
145.02834	0.8
147.07999	1.2
151.00171	1.0
151.03860	1.2
153.01820	5.3
155.03374	1.7
161.02361	1.3
161.04453	2.8
163.00313	0.9
165.09094	20.2
177.01790	1.6
178.99768	2.7
179.05510	1.0
189.01891	2.4
190.02586	1.3
191.03340	1.0
205.01338	2.2
206.02045	1.1
209.08133	100.0
210.08492	3.0
223.09674	7.9
233.00952	2.0
251.09236	15.5
268.58908	1.1
275.02234	1.3
281.10379	4.1
293.03384	3.9
299.05530	1.5
431.06473	7.7
431.12592	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.156
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
52.09820	0.6
54.91732	0.6
58.00446	1.6
58.01795	0.6
59.00034	1.2
59.01241	64.7
63.41726	0.6
69.03312	7.0
70.99662	1.0
71.01240	69.7
72.99171	2.7
73.02447	1.1
73.02811	12.0
75.00728	3.1
77.30422	0.6
81.03307	5.0
82.71934	0.6
82.95229	0.8
83.01240	5.8
84.06137	0.5
84.94960	2.0
85.02811	8.3
87.00732	2.0
88.98651	3.8
89.00063	1.5
89.02296	100.0
93.03329	1.7
95.01244	3.0
95.04913	0.8
96.95866	7.5
97.02805	12.2
99.00734	16.4
99.04382	2.3
101.02303	19.9
106.04108	4.8
107.04901	1.2
108.02042	0.8
109.02808	1.4
111.00760	2.5
113.02299	8.8
115.03878	9.3
119.03362	3.5
119.04895	5.5
124.98540	0.7
125.02314	51.7
127.03863	1.3
129.58484	0.7
131.03381	13.0
137.05960	69.7
138.06320	1.4
139.03908	3.7
143.03372	4.4
147.08070	0.8
149.04448	17.4
159.97446	4.1
161.04427	2.6
173.04500	0.9
175.06013	0.8
191.05544	9.6
191.07114	1.6
193.03142	0.9
215.05563	1.0
225.05829	2.5
229.99950	4.1
233.06642	42.9
234.07036	1.0
241.00162	2.4
251.99435	2.4
269.10669	0.9
293.08792	52.1
294.09195	1.4
369.02661	1.1
400.90668	0.6
413.01501	1.4
431.15817	1.3
441.81668	0.8
454.60260	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42905	1.2
57.03310	3.1
58.00469	2.3
59.00092	2.0
59.01242	100.0
62.15188	1.3
65.87271	1.3
70.42663	1.1
71.01238	47.5
72.99178	2.4
73.02798	3.2
77.09673	1.4
83.01232	2.8
84.94975	5.6
85.02807	6.1
87.00741	3.9
88.98654	2.5
89.00177	1.4
89.02299	81.6
89.04678	1.1
95.01275	2.1
96.95872	7.9
99.04380	5.4
101.02306	29.6
109.02793	2.9
113.02311	22.4
115.00242	1.9
115.03828	2.0
119.03368	29.6
121.02856	1.6
122.03619	3.9
125.02306	1.4
129.68042	1.3
131.03407	3.6
133.02866	1.3
134.00417	1.4
135.04399	1.9
137.02342	2.2
137.05957	5.4
143.03378	7.3
147.08054	5.0
148.05231	2.1
149.02411	2.3
149.04459	3.5
149.49547	1.4
161.04482	11.0
163.03992	2.8
164.04651	2.5
173.05980	1.6
177.01851	4.1
179.05536	41.2
179.06987	2.9
183.44736	1.2
191.07053	6.1
193.01335	1.9
207.06627	3.8
225.05476	1.7
239.62254	1.3
287.04507	3.3
369.02594	4.2
413.02002	1.7
431.08264	6.3
431.12045	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	431.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93860	0.3
54.32239	0.3
57.36388	0.3
59.00070	1.9
59.01241	100.0
59.02575	1.0
71.01237	3.6
72.99139	0.3
73.02801	1.5
77.34392	0.4
85.02811	1.0
89.02298	4.5
91.72693	0.6
93.03357	0.4
94.97959	0.6
96.95879	1.1
99.00706	0.9
101.02298	3.0
108.02040	0.6
109.02843	0.8
113.02311	0.6
119.03347	0.4
119.04895	0.5
121.02809	0.5
131.03371	1.2
133.02829	0.5
149.02361	0.4
149.04416	2.8
151.03857	2.2
151.56590	0.3
152.01033	0.7
153.01845	0.9
161.04440	1.4
177.01756	0.5
179.03406	24.8
180.03665	0.6
189.02084	0.4
189.59738	0.4
191.05518	0.9
194.05769	33.1
195.06126	0.7
209.08130	56.2
210.08469	0.9
214.08876	0.4
221.00986	0.4
233.00792	0.4
268.58691	1.2
276.99838	0.5
293.29916	0.7
325.35623	0.5
366.36099	0.4
379.82642	0.4
403.61133	0.5
431.15988	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1559
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
55.42395	0.3
57.03316	0.8
58.00466	1.4
58.99929	0.8
59.01243	73.1
59.02392	1.4
59.98407	0.3
60.01572	0.4
69.03315	9.3
69.03686	0.7
70.99504	0.9
71.01240	74.2
71.02776	1.1
71.04874	0.4
72.01579	0.6
72.81136	0.3
72.99158	1.7
73.02805	12.5
75.00743	2.9
81.03320	5.0
83.01242	6.4
85.02298	0.6
85.02808	10.2
87.00747	2.4
88.98556	0.4
88.99853	0.9
89.02298	100.0
89.04446	1.6
90.02612	0.4
92.39260	0.4
94.98966	0.4
95.01238	2.0
97.02808	15.5
98.03186	0.4
99.00738	18.2
99.04375	2.3
101.02303	17.7
107.01244	0.5
109.02820	1.1
111.00745	2.1
113.02308	8.1
115.00282	0.4
115.03868	8.8
115.04653	0.7
117.01846	0.4
119.03358	2.0
121.99747	0.8
122.03604	63.6
123.03910	0.8
125.02315	47.8
125.05901	0.7
126.02693	0.5
127.03919	1.7
131.03378	11.1
137.02380	0.5
137.05962	24.7
143.03394	4.2
149.04440	14.8
153.65604	0.3
155.03476	0.8
161.04454	3.5
173.04408	1.3
175.06038	0.9
191.05531	8.3
215.05540	1.1
230.45642	0.3
233.06644	41.3
234.06935	0.8
255.86774	0.4
293.08801	31.1
294.09027	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52050	10.6
59.01240	100.0
61.98706	17.9
63.59634	13.1
74.04789	12.6
75.17185	13.5
78.95710	12.9
81.95921	13.6
85.56497	13.8
87.96828	13.1
89.02312	16.6
91.10783	13.8
101.37882	13.5
101.51521	13.4
103.03606	16.1
109.02834	25.0
123.00712	17.2
153.01860	19.6
161.05949	27.0
190.97841	18.0
287.16614	50.8
296.06876	20.5
304.88852	15.4
311.09436	38.5
312.10080	24.3
328.89468	17.0
331.15720	55.4
347.28488	14.9
349.16617	21.3
387.05255	26.0
393.15759	23.4
431.13495	30.2
431.18588	99.0
446.91495	16.1
454.68726	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	431.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.6
57.03312	1.8
59.01244	100.0
59.02493	1.8
69.03336	0.8
69.85256	0.5
71.01244	23.3
71.01640	1.3
71.04894	5.7
72.99168	0.8
73.02808	4.8
74.03043	0.6
75.79381	0.5
75.82675	0.6
78.95772	1.4
81.03328	2.3
83.01255	2.9
83.04871	0.7
84.08707	0.5
85.02811	8.6
87.00760	0.8
89.02303	21.0
89.02839	1.2
95.01237	1.3
97.02835	1.8
99.00747	2.2
99.04408	2.4
101.02309	16.6
107.04897	1.1
107.08581	1.1
107.72101	0.6
109.06508	0.8
112.29208	0.6
113.02306	10.5
115.03880	20.8
115.04657	1.0
119.03374	9.1
119.08533	0.6
125.02338	1.4
131.03398	0.7
143.03412	2.3
147.01430	0.7
147.11737	1.5
155.10622	0.6
159.03040	0.7
161.04480	6.1
163.11189	4.1
175.02451	0.9
179.05605	1.6
189.12766	3.5
207.10255	2.4
207.13864	3.9
209.08113	3.2
227.16594	1.4
233.11867	4.0
251.12827	4.0
269.14108	2.7
311.05569	1.0
371.20651	6.4
389.21866	18.3
389.26532	1.1
395.19312	1.8
431.09891	0.8
431.18866	2.4
431.23218	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	431.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.5
57.03304	2.9
58.00445	2.1
59.00103	1.8
59.01240	100.0
59.02479	1.8
61.98693	3.3
69.03320	2.3
71.01238	58.7
71.04510	1.2
71.04873	13.0
72.99150	2.2
73.02802	5.3
73.03918	2.4
74.02318	3.5
75.00702	1.0
78.95766	2.1
79.05338	0.8
81.03317	6.9
83.01232	3.8
83.04882	2.8
85.02802	14.1
87.00732	3.0
88.98640	1.1
89.02294	65.7
93.03325	1.9
95.01248	5.3
95.04900	2.6
96.95856	2.7
97.02807	5.8
97.06429	3.1
99.00732	2.4
99.04372	9.8
101.02297	33.9
107.04884	5.7
107.08506	2.7
109.06449	3.4
111.04355	1.1
113.02302	24.7
115.00180	1.3
115.03873	58.0
116.04216	0.9
119.03362	26.8
119.08524	2.4
121.06444	2.4
125.02325	6.4
126.03083	1.7
128.03377	1.6
130.08585	1.8
131.03354	2.9
133.04980	1.5
133.06427	1.6
134.69104	1.0
135.07985	1.6
137.09668	1.3
139.03815	1.4
143.03415	9.0
143.04474	1.6
143.11766	2.0
145.10101	3.1
149.04449	1.5
154.99759	1.2
159.02988	1.4
161.04456	7.1
161.09645	1.6
163.11176	23.9
174.85991	0.9
175.02371	1.6
179.05539	7.8
189.09134	1.5
189.12761	12.1
207.06680	1.3
207.10242	10.8
207.13831	23.4
207.15659	2.0
215.10802	1.3
227.82161	1.0
233.11838	10.9
234.12549	1.0
251.12877	21.5
256.20184	1.1
269.13901	9.0
311.15036	1.3
333.01929	1.2
357.43011	1.1
387.16849	1.7
387.22659	2.9
413.17984	2.7
431.10617	3.9
431.14499	2.9
431.20129	15.5
431.24915	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	431.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84670	0.2
60.09060	0.5
60.09313	0.2
60.84887	0.3
66.26544	0.2
78.39039	0.3
78.95757	60.6
78.97627	1.0
80.89716	0.3
96.96812	5.3
111.07256	0.3
119.04923	0.3
121.02838	0.7
130.36662	0.3
132.02048	0.4
133.02835	10.6
134.03621	9.3
134.04652	0.4
135.04395	23.8
135.08595	0.4
136.04759	0.7
137.02321	3.5
139.03888	1.3
140.87276	0.3
145.02823	0.8
149.02299	0.3
150.97882	2.2
152.99469	100.0
153.04530	1.2
153.99890	1.2
161.02333	21.5
161.38982	0.4
162.02695	0.5
163.03853	0.5
171.00560	3.0
178.02614	1.7
179.03398	10.8
210.87051	0.3
218.82985	0.3
251.18045	0.3
277.21863	1.3
295.14160	0.3
307.67194	0.3
346.79626	0.4
406.83640	0.3
418.06680	0.3
431.24582	49.5
432.24994	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	431.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37719	0.2
59.17130	0.5
61.58823	0.2
62.96259	0.3
64.29382	0.2
74.76912	0.2
75.71920	0.2
78.93832	0.7
78.95760	47.9
78.97426	0.6
85.09489	0.2
96.96824	5.9
100.14100	0.2
117.03363	0.2
119.04920	0.2
124.20516	0.2
124.42215	0.2
130.36473	0.2
133.02838	3.7
134.03622	3.7
135.04401	7.8
137.02328	1.2
139.03899	0.4
145.02802	1.0
150.97911	1.5
152.94304	1.0
152.99474	100.0
153.99843	0.8
161.02333	7.7
161.03670	0.4
163.03961	0.4
171.00536	4.1
178.02676	0.7
179.03395	3.2
200.58594	0.2
277.21899	0.7
305.74402	0.2
391.16574	0.2
393.72623	0.2
431.24695	17.1
432.25235	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2206
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
59.01251	2.5
67.71520	0.4
70.69685	0.4
72.57424	0.5
73.88200	0.5
74.05852	0.4
76.00208	0.5
78.93727	0.8
78.95760	58.2
91.72675	0.7
96.01391	0.5
96.38970	0.6
96.95856	2.2
96.96805	5.1
103.35191	0.4
117.30814	0.5
140.20692	0.5
144.22836	0.5
150.97899	1.9
152.01030	1.0
152.99474	100.0
153.99863	1.0
171.00505	2.6
242.26486	0.6
277.21637	1.1
387.25391	1.0
406.04712	0.6
431.22043	9.6
432.22729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.3
59.17128	0.4
59.32443	0.3
60.09064	0.5
60.09325	0.5
61.03363	0.3
65.65688	0.3
78.94072	0.8
78.95762	56.0
78.97664	0.9
83.41804	0.3
94.95457	0.3
96.96827	5.9
105.60829	0.4
117.03339	0.9
119.04910	0.9
121.02829	0.5
133.02838	9.4
134.03619	7.6
135.04402	19.4
137.02336	2.8
139.03850	0.7
140.17108	0.3
145.02827	1.9
150.97899	1.8
152.99478	100.0
153.04730	1.0
153.99805	0.7
161.02347	17.0
163.03923	0.4
171.00533	3.4
178.02672	0.9
179.03424	10.0
240.69420	0.3
242.14839	0.3
249.00459	0.4
277.21851	1.1
431.24631	43.9
432.24814	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	431.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75283	0.4
58.85697	0.4
60.09049	0.8
65.66035	0.4
70.01177	0.4
78.95760	54.0
78.97666	0.8
82.07403	0.4
89.23047	0.4
93.03318	0.6
96.96815	6.9
107.04886	1.0
119.04872	0.9
121.02801	1.1
133.02827	20.5
134.03621	17.5
135.04398	39.0
135.65675	0.4
137.02310	5.6
139.03867	1.6
141.88029	0.5
145.02867	2.0
150.03070	0.7
150.97917	1.6
152.99475	95.3
153.04648	0.8
153.99751	0.8
161.02339	36.8
162.02701	0.5
163.03831	0.9
171.00549	2.9
178.02631	3.0
179.03423	18.9
277.21802	0.9
431.24481	100.0
432.24655	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97314	0.4
60.09057	0.6
62.94722	0.4
70.28420	0.4
74.66388	0.4
78.95760	46.5
78.97636	0.8
79.59141	0.4
94.23721	0.4
96.96809	6.6
106.04086	0.4
108.38033	0.3
113.01663	0.4
117.03320	6.4
119.04893	31.6
119.08304	0.5
120.05280	0.5
121.02848	0.6
133.02826	6.5
134.03618	3.7
135.04399	10.1
137.02299	1.0
145.02834	49.6
145.07660	0.6
146.03195	1.3
150.97894	1.6
152.99474	100.0
153.04704	1.1
153.99825	0.4
161.02330	8.9
163.03903	29.1
164.04266	0.7
171.00575	4.0
179.03410	4.2
267.19730	1.2
277.21854	1.0
285.20755	2.8
327.98715	0.4
328.76682	0.4
431.24536	45.6
432.24960	2.9
437.71478	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17869	0.3
58.10059	0.7
58.10306	0.4
59.01233	1.0
63.99882	0.3
66.55447	0.4
78.95760	0.4
93.03360	0.4
100.06316	0.3
112.51695	0.3
117.03323	16.2
118.04119	1.1
119.04894	39.5
120.05215	1.0
121.02836	1.5
129.84265	0.4
131.58356	0.4
133.02834	1.8
134.03615	1.3
135.04416	3.9
137.02373	0.5
145.02835	100.0
145.07301	1.2
146.03192	2.8
152.99457	0.7
161.02327	4.0
163.03909	32.8
164.04303	0.9
166.22571	0.4
179.03485	2.0
179.92914	0.4
267.19681	2.8
285.20743	7.7
285.23636	0.3
413.23624	0.8
431.24405	48.9
432.24677	3.6
437.48770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02661	0.3
53.44698	0.3
58.10050	0.6
58.10293	0.5
59.01251	0.4
62.64376	0.3
69.42158	0.3
71.91512	0.3
73.62538	0.3
78.95760	7.0
96.19376	0.3
96.96816	1.1
104.37878	0.3
117.03319	15.4
118.04143	0.6
119.04887	34.8
120.05233	0.6
121.02827	1.0
133.02866	2.3
134.03610	1.8
135.04405	4.8
137.02362	0.8
144.97971	1.1
145.02831	100.0
146.03159	2.9
150.97791	0.4
152.98187	0.4
152.99472	15.9
161.02330	3.5
163.03900	25.0
164.04251	0.7
171.00578	0.5
179.03398	2.1
205.19695	0.3
239.59880	0.3
260.39423	0.3
267.19617	2.7
285.20728	8.2
413.23285	0.7
431.24414	48.4
432.24728	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	431.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35756	0.6
55.29395	0.4
56.65636	0.5
58.10065	0.8
58.99963	0.9
59.01242	72.2
59.02391	1.4
88.27334	0.5
102.00671	0.5
117.03320	18.2
118.04137	1.2
119.04891	39.7
120.05247	0.9
121.02844	1.5
133.02829	6.2
134.03622	4.4
135.04391	12.4
137.02286	2.0
145.02835	100.0
146.03169	3.1
148.64592	0.8
157.67906	0.6
161.02338	11.0
163.03906	29.5
178.02765	0.6
179.03441	4.8
207.29558	0.6
207.92450	0.6
225.22128	1.3
253.21687	4.5
267.19705	2.4
271.22806	44.9
272.23178	2.4
273.19269	0.7
285.20676	9.2
313.23868	44.5
314.24304	2.6
413.23462	0.9
431.24408	64.5
432.24609	4.5
445.94214	0.6
450.03308	1.2
450.08676	0.6
458.87741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.9748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40414	1.1
56.47816	1.2
58.21930	0.9
65.80137	1.0
68.99674	10.8
71.01248	13.4
72.99152	4.8
74.99242	1.2
88.98598	1.5
89.02233	1.2
96.95836	1.7
99.00732	12.8
113.00791	3.6
114.98727	5.1
115.00224	4.1
115.02477	1.4
124.98663	2.5
125.02315	1.4
126.98748	7.5
129.00323	10.7
138.98730	4.7
142.98219	4.7
142.99796	1.2
144.85611	1.1
148.15674	1.5
153.00351	3.0
153.97455	3.0
154.98256	49.2
155.01917	3.2
155.98425	1.6
156.99837	2.7
165.00351	2.3
167.01875	6.4
168.99770	3.5
180.99838	13.4
182.97794	4.6
183.01387	21.0
184.99323	1.4
191.05537	3.2
192.99887	3.3
195.98515	2.9
196.99449	1.7
198.97415	1.7
204.99821	12.8
206.97829	1.3
208.99361	100.0
209.99551	6.9
210.97284	19.4
211.00821	8.8
224.98901	4.7
226.96849	4.9
227.00514	3.1
236.98866	17.6
238.96974	1.4
244.97878	77.3
245.98061	3.9
252.98389	42.0
253.98639	2.4
255.00032	2.5
280.97894	13.5
282.95825	3.2
296.97375	1.3
298.99060	6.4
300.96866	10.5
312.96893	3.4
324.94037	1.1
324.96878	29.0
325.97021	2.4
326.98428	1.6
342.93744	2.2
342.97946	44.9
343.98105	2.7
352.96320	7.7
370.97467	8.9
372.97302	2.2
396.95428	3.0
414.96423	20.6
432.97452	65.3
433.97818	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	433.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	49.8
65.87824	3.1
66.29819	3.4
71.01230	22.0
71.34043	4.2
72.99179	3.6
73.02789	4.9
73.38908	3.2
84.78662	3.7
85.02815	7.1
87.00752	4.1
89.02293	14.6
90.98421	4.1
96.95865	26.3
99.00745	10.1
101.02314	16.4
107.01266	4.7
108.02032	8.6
109.02818	100.0
113.02285	9.7
115.00256	3.9
119.03365	5.1
119.04868	8.4
121.02879	7.1
123.00762	6.3
125.02290	5.5
133.02783	10.8
135.00699	5.3
135.04395	7.6
137.02238	5.6
145.02812	14.1
147.04411	14.4
147.08029	7.8
151.03993	4.1
153.01816	66.6
159.26085	3.8
161.02376	8.8
161.04437	4.4
163.00253	41.8
163.03876	23.7
173.02342	8.2
177.01839	12.9
178.99835	18.6
179.03401	4.7
190.02762	4.7
191.03441	37.9
196.86464	4.1
198.35806	4.5
200.21884	5.0
205.01402	32.3
206.02133	62.6
207.02939	41.9
209.08171	6.8
227.03328	5.1
235.02382	23.7
235.06044	5.2
251.02039	9.9
255.03043	8.9
261.00522	7.0
262.01166	14.5
273.04077	14.8
279.01526	15.5
283.06125	10.8
315.05161	65.9
316.05569	5.4
346.25488	4.3
362.60205	4.8
371.04184	18.0
373.18832	12.9
389.18198	21.6
433.16998	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00969	0.6
59.01241	7.9
62.51454	0.4
63.02241	0.6
65.00155	0.5
67.13976	0.5
69.34775	0.4
71.01232	1.4
71.24220	0.8
72.99148	0.6
73.02808	0.8
75.13141	0.9
77.99295	0.4
83.01257	0.7
84.56895	0.5
85.02795	0.6
89.02277	1.5
89.36008	1.0
89.36477	0.5
91.83883	0.5
93.03325	0.6
101.02278	0.7
105.01783	0.8
107.01246	2.3
108.02037	1.5
109.02769	1.7
113.02306	0.6
115.03835	0.8
121.02804	2.3
135.00757	1.1
146.95610	0.5
147.82500	0.6
148.01558	1.5
151.00246	9.7
163.00233	2.7
164.01053	0.9
165.01854	0.6
178.99782	4.8
199.03883	1.0
211.03929	1.6
215.03349	0.9
226.02663	2.3
227.03407	3.4
229.05013	0.7
243.02971	13.7
243.67726	0.6
244.03467	0.9
245.04568	1.6
254.02098	2.9
255.02986	24.7
256.03397	1.5
266.02133	0.6
271.02490	60.9
272.02969	4.7
273.04037	1.4
283.02463	1.6
299.01804	1.8
300.02753	100.0
301.03522	56.1
302.03842	2.2
331.17529	0.6
433.07770	61.2
434.08160	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	433.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92736	0.4
57.03283	0.5
58.99943	0.4
59.01182	27.1
59.02316	0.4
60.56371	0.5
65.00182	3.0
65.03793	0.4
66.19806	0.3
67.01714	0.4
68.99628	0.9
69.03253	1.3
71.01241	9.0
71.04819	2.8
73.02747	1.5
75.01952	0.4
78.06464	0.3
79.01716	0.7
81.03307	4.0
83.01245	4.8
83.04832	0.8
85.02818	2.4
87.57251	0.4
89.02296	7.5
91.72640	0.8
93.03326	5.4
95.01258	2.1
95.04831	0.6
97.02812	6.6
97.06396	1.2
99.04318	1.2
101.02312	5.7
105.03259	1.5
107.01247	6.6
107.04819	0.5
109.02715	1.1
111.04331	0.7
113.02302	3.7
115.03878	14.6
117.03239	1.1
119.01235	1.0
119.03285	2.7
119.04895	44.9
120.05155	1.1
121.02818	6.6
123.00788	1.9
123.04290	1.5
125.02316	15.2
133.02809	0.8
134.68651	0.4
135.00696	0.7
135.04347	1.1
136.28989	0.4
137.02315	2.9
143.03297	0.7
143.04893	4.7
145.01851	0.5
145.02827	4.4
147.04355	0.7
149.02332	5.5
151.00258	12.9
151.03880	0.5
155.03346	1.3
155.10654	0.6
157.06407	0.6
161.02235	0.6
161.04488	0.9
161.05911	2.5
161.13130	0.6
163.00261	6.6
163.03799	1.5
164.00975	1.3
165.00549	0.7
165.01826	9.6
167.03418	3.4
177.01883	2.1
179.03326	1.2
184.30981	0.6
185.06027	2.8
187.03894	6.9
189.98984	0.5
190.99702	1.1
191.03386	1.4
192.93866	0.5
193.01364	29.3
194.01637	1.3
197.05984	0.8
198.06625	0.5
199.07608	1.9
203.07089	0.8
205.01402	0.9
207.02995	2.6
209.15414	3.9
215.94679	0.5
218.29359	0.4
219.02959	2.1
223.02477	2.9
225.05505	0.8
226.06236	0.6
227.07069	2.6
229.04895	1.1
235.13448	0.9
239.07144	0.5
241.08681	1.3
243.06456	0.5
245.08080	0.7
253.04968	0.6
253.14444	4.8
255.02892	0.5
269.08200	2.7
271.02570	1.1
271.06122	10.0
271.15506	4.5
283.06177	2.9
285.07629	0.5
300.02777	2.0
301.03586	0.5
313.07202	100.0
314.07553	5.3
325.07269	1.8
343.08255	25.0
344.08633	1.1
355.08377	1.5
397.09329	0.5
415.10452	1.8
433.11545	26.9
433.20364	5.7
434.11914	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58959	0.4
55.01754	0.5
56.89239	0.3
57.03326	0.5
58.99982	0.3
59.01244	12.3
60.56425	0.6
60.56694	0.3
60.69463	0.3
65.00187	3.0
67.01743	0.3
68.99663	0.5
69.03307	1.3
69.23842	0.3
71.01240	7.2
71.04865	0.5
72.99152	1.2
73.02798	1.4
79.01757	0.9
81.03312	4.5
81.88925	0.4
83.01237	4.3
84.80350	0.4
85.02796	2.9
87.00729	1.0
89.02306	2.2
90.54372	0.3
93.03316	4.8
95.01237	1.5
95.04870	0.7
97.02813	5.8
99.00723	0.8
99.04379	3.4
101.02306	5.2
105.03318	1.4
105.26987	0.4
107.01255	4.3
109.02755	0.8
111.04367	0.4
111.95264	0.3
113.02320	1.6
113.88170	0.3
115.00228	1.0
115.03878	8.6
117.03340	0.7
119.01306	0.5
119.04893	32.5
120.05194	0.9
121.01997	0.6
121.02812	5.8
123.00733	2.0
123.04365	1.5
125.02312	12.5
125.05785	0.3
126.02581	0.4
133.02853	0.5
135.00746	0.8
135.04388	0.9
136.01535	1.3
137.02322	3.9
143.03392	0.8
143.04910	2.6
145.02847	2.5
147.04382	0.5
149.02335	4.8
151.00258	11.0
151.03867	0.5
155.03351	1.1
161.04506	0.4
161.05968	1.1
163.00267	5.4
163.03970	1.0
164.01050	1.7
165.01817	7.6
167.03410	2.6
171.07785	0.3
175.02348	1.4
175.03766	0.5
177.01892	2.0
179.03432	1.4
185.06006	1.4
185.18661	0.3
187.03918	3.1
190.99803	0.7
191.03444	1.5
193.01358	22.7
194.01685	0.7
199.07616	0.7
203.07124	0.5
205.01447	2.0
207.02962	1.9
219.02942	2.2
223.02469	3.5
226.06400	0.7
227.07100	1.7
229.04974	0.8
239.07193	0.5
240.07898	1.4
241.08636	1.2
243.06587	0.6
245.08269	0.7
249.04135	0.4
253.14455	1.1
255.10263	0.5
269.08276	2.0
271.06143	8.4
272.06378	0.4
283.06104	2.0
284.03455	0.4
285.07648	0.4
297.07611	0.5
311.06073	0.4
313.07202	100.0
314.07587	3.8
325.07138	2.0
343.08255	26.6
344.08707	0.6
347.17355	0.7
355.08182	1.9
385.09357	0.7
389.22269	0.4
397.09372	0.6
397.18567	1.4
415.10849	1.9
415.19675	8.5
427.99457	0.4
433.11395	20.5
433.20813	25.5
434.11609	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58926	0.5
52.59147	0.4
57.03305	0.6
58.09940	0.3
59.01244	28.3
59.02466	0.5
60.01583	0.4
63.02223	1.2
65.00182	5.6
67.01728	0.5
68.99645	0.7
69.03287	1.2
69.14805	0.4
71.01241	9.8
71.04843	1.6
72.73186	0.5
72.99136	0.4
73.02769	1.1
77.03810	0.4
78.95742	0.5
80.61482	0.3
81.02885	0.5
81.03306	4.2
81.88917	0.5
83.01244	6.7
83.04863	0.5
85.02811	4.1
87.00696	1.9
89.01772	0.6
89.02295	10.2
93.03324	6.3
95.01252	2.0
95.04859	0.7
97.02803	5.4
97.06424	0.6
99.04345	1.6
101.02307	6.9
102.55515	0.4
105.03299	1.1
107.01244	8.9
108.16271	0.4
109.02812	0.6
109.06414	1.8
111.00738	0.5
111.04366	0.6
113.02304	3.8
115.00216	0.8
115.03880	9.9
117.03288	1.1
119.03358	3.7
119.04893	41.8
119.08468	0.8
120.05164	0.8
121.02044	0.4
121.02829	5.5
123.00697	1.5
123.04377	1.7
123.08037	2.7
125.01476	0.8
125.02315	13.6
128.50458	0.4
131.03337	0.6
133.02771	1.1
135.04330	0.9
136.01610	0.5
137.02330	3.9
137.05942	0.5
137.09566	0.7
139.03888	0.7
143.03363	0.9
143.04938	3.2
145.02849	4.3
147.04321	0.5
149.02328	4.8
150.95593	0.4
151.00258	26.9
152.00520	0.5
152.99461	0.6
153.01761	0.5
153.05400	0.5
155.03357	1.3
160.73354	0.4
161.02347	0.6
161.04443	1.1
161.05968	1.7
163.00266	5.1
163.03891	1.3
164.01003	1.4
165.00539	0.7
165.01839	10.0
167.03395	3.5
169.01288	1.3
175.02350	1.0
177.01863	2.9
179.03349	1.7
179.05527	1.3
185.05972	1.8
187.03900	3.9
189.99013	0.6
190.99785	0.5
191.03409	1.5
191.14359	2.7
193.01370	20.1
194.01750	0.6
197.06061	0.9
199.07550	1.1
203.07101	0.5
205.01312	1.2
207.02930	1.9
209.06042	0.6
209.15366	1.3
211.02475	0.6
213.05551	0.7
219.02954	2.0
223.02382	2.7
223.07646	0.5
225.05525	1.6
227.07066	2.5
229.05090	1.0
229.77266	0.5
235.13321	0.5
241.05032	2.9
241.08675	1.3
241.14468	0.9
243.06580	0.7
245.08165	0.6
253.05055	1.7
253.14397	4.2
256.07330	1.2
269.04578	1.3
269.08090	2.0
271.06137	38.8
271.15512	2.1
272.06448	1.3
283.06223	3.2
284.06824	0.6
285.04187	0.5
295.06183	0.6
296.07010	1.0
297.04034	2.9
297.07169	0.7
300.06427	1.3
311.05402	0.9
312.06406	2.2
313.07202	100.0
314.07559	3.9
315.08734	7.4
325.07227	2.1
327.08737	9.2
343.08243	26.2
344.08542	1.2
345.09650	0.5
347.16989	0.6
355.08221	1.2
371.85754	0.5
385.09378	0.6
390.22464	0.5
391.23032	0.6
415.10339	2.1
415.20221	0.7
433.11472	22.7
433.20526	12.0
434.11908	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.114
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78423	0.3
57.03286	0.4
59.01241	9.0
60.56401	0.4
61.98690	7.3
65.00182	3.4
68.99660	0.5
69.03288	0.9
70.41302	0.3
71.00869	0.4
71.01231	5.0
71.04853	0.5
71.43230	0.3
71.85506	0.3
72.99163	0.3
73.02787	0.7
75.00716	0.3
77.03796	0.5
78.48854	0.3
79.01728	1.1
81.03309	3.5
81.88898	0.4
83.01231	4.0
83.04863	0.4
85.02796	1.8
87.00720	0.5
89.01849	0.4
89.02296	4.4
93.03310	5.1
95.01247	1.5
96.95845	0.7
97.02229	0.4
97.02814	4.3
99.00756	0.3
99.04336	1.0
101.02300	3.0
105.03339	1.6
107.01242	4.5
107.04880	0.4
109.02804	1.3
111.04353	0.7
113.02316	2.5
115.03860	3.5
117.03363	0.6
119.01424	0.5
119.03361	1.8
119.04890	36.3
120.05199	0.8
121.02815	5.5
123.00741	2.3
123.04386	0.8
125.02305	13.1
127.66920	0.3
133.02798	0.7
135.00735	0.7
135.04379	0.9
136.01498	0.9
137.02312	3.3
137.09586	0.5
139.83498	0.3
143.04906	2.6
144.05168	0.3
145.02841	3.5
147.04402	0.5
149.01202	0.4
149.02335	5.8
150.02818	0.4
151.00255	11.5
151.01494	0.5
151.03769	0.5
155.03375	0.7
159.02890	0.4
160.05179	0.3
161.02328	0.7
161.04604	0.6
161.05965	1.8
163.00250	5.9
163.03880	0.7
164.01001	1.3
165.01843	9.3
166.02348	0.4
167.03404	3.3
169.01335	0.5
177.01825	2.4
179.03432	1.7
179.05438	0.3
181.01152	0.3
183.08052	0.3
185.06033	1.8
187.03934	3.5
189.99086	0.5
190.99791	0.9
191.03455	1.5
192.94260	0.4
193.01347	24.2
194.01744	0.7
197.04453	0.6
197.06024	0.4
199.07573	1.2
203.07088	0.5
205.01315	1.1
207.02921	2.0
211.02348	0.7
211.04289	0.3
219.02892	2.3
223.02432	3.9
225.05453	0.4
226.06287	0.4
227.07091	1.7
229.05006	0.5
231.02930	0.4
241.08730	1.2
243.06606	0.6
244.54861	0.3
249.03979	0.5
251.07169	0.3
253.14470	0.8
269.08200	1.5
271.06122	7.9
271.15610	0.6
272.06744	0.3
283.06085	2.7
285.07800	0.6
313.07187	100.0
314.07547	4.5
325.07193	2.4
343.08249	25.9
344.08548	1.7
355.08261	1.3
373.09482	0.9
385.09140	0.3
415.10419	1.9
415.19711	1.3
433.11435	21.3
433.20477	9.4
434.11700	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99084	0.4
59.01243	12.8
63.02259	4.7
65.00181	9.1
67.51141	0.6
70.37359	0.5
71.01244	2.4
73.02792	0.9
81.03307	0.7
83.01243	6.9
84.49866	0.4
85.02800	1.0
89.02278	1.4
93.03318	7.6
95.01217	1.0
96.02009	1.6
101.02295	1.9
107.01245	17.2
109.02787	0.6
111.00762	0.9
113.02316	0.5
117.03314	1.9
119.04888	37.1
120.05189	0.8
123.00764	2.4
124.00633	0.9
124.01530	11.3
125.02314	10.3
133.02850	0.8
134.03600	1.9
135.04414	3.9
136.01521	0.8
139.00238	1.2
141.01790	0.9
149.02319	0.6
151.00252	58.8
151.96223	1.0
152.01041	70.7
153.01459	1.7
157.06451	0.6
161.04401	0.6
164.00978	0.9
165.01866	2.0
169.01318	4.1
169.06551	0.6
173.05960	0.9
175.00311	1.0
177.01825	5.0
177.05511	0.8
178.99768	53.5
180.00548	13.9
185.06001	0.6
187.03932	0.6
191.14168	0.6
193.01355	1.8
197.06075	0.5
201.05487	0.9
209.15475	1.1
215.07175	1.0
225.05569	2.3
227.03551	0.6
227.07274	0.6
241.05032	0.9
243.02898	0.7
243.06642	1.0
253.14555	1.4
255.02879	1.0
259.06128	20.6
260.06436	0.7
269.04559	51.6
270.04962	2.8
271.06122	100.0
272.03461	1.1
272.06436	6.0
286.04852	9.3
287.05621	17.6
288.06009	1.1
295.06052	0.9
299.31125	0.5
300.02759	2.4
301.03580	1.2
313.07114	1.8
313.32410	0.6
316.79691	0.6
318.73294	0.5
364.01370	0.5
381.17020	0.6
432.88370	0.7
433.11603	46.1
433.20187	8.8
434.11957	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	433.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26563	0.2
57.03306	0.3
58.99930	0.3
59.01241	20.0
61.17217	0.2
61.98687	0.7
63.02250	3.2
65.00183	4.5
69.03291	0.6
71.01241	6.8
71.04877	1.4
73.02795	0.7
80.02542	0.5
81.03310	1.1
83.01239	5.5
85.02792	1.3
89.02293	7.2
93.02758	0.4
93.03320	6.6
95.01269	0.4
97.02818	0.8
99.04381	0.8
99.08022	1.0
101.02306	4.1
104.09671	0.3
107.01242	12.0
108.02042	2.6
109.06446	2.0
111.04376	0.6
113.02301	2.8
115.03878	8.8
119.01213	0.3
119.03377	3.0
119.04889	26.9
119.08265	0.5
120.05231	0.6
121.02802	0.5
123.08016	3.1
125.02328	1.0
128.03397	0.6
131.03342	0.5
136.01529	3.2
137.09593	0.8
143.03395	0.5
143.04475	0.4
145.02863	0.8
151.00255	41.9
151.11162	0.5
152.00595	1.3
153.05452	1.2
161.04532	0.5
161.05991	0.4
164.01045	5.0
165.01788	2.0
168.52824	0.3
169.01344	1.7
173.13089	0.3
177.01837	6.9
179.05608	0.5
185.05984	0.5
187.03821	0.4
191.14342	2.7
207.40642	0.4
209.15385	0.9
225.23479	0.3
227.07085	0.7
235.13261	0.6
244.51234	0.3
253.05179	0.4
253.14432	4.5
270.05191	0.3
271.06125	100.0
272.06448	4.3
272.08939	0.4
313.16742	0.3
320.94617	0.4
335.80328	0.3
362.33853	0.4
433.11441	26.9
433.20041	3.3
434.11908	2.3
434.19638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58959	0.4
55.01754	0.5
56.89239	0.3
57.03326	0.5
58.99982	0.3
59.01244	12.3
60.56425	0.6
60.56694	0.3
60.69463	0.3
65.00187	3.0
67.01743	0.3
68.99663	0.5
69.03307	1.3
69.23842	0.3
71.01240	7.2
71.04865	0.5
72.99152	1.2
73.02798	1.4
79.01757	0.9
81.03312	4.5
81.88925	0.4
83.01237	4.3
84.80350	0.4
85.02796	2.9
87.00729	1.0
89.02306	2.2
90.54372	0.3
93.03316	4.8
95.01237	1.5
95.04870	0.7
97.02813	5.8
99.00723	0.8
99.04379	3.4
101.02306	5.2
105.03318	1.4
105.26987	0.4
107.01255	4.3
109.02755	0.8
111.04367	0.4
111.95264	0.3
113.02320	1.6
113.88170	0.3
115.00228	1.0
115.03878	8.6
117.03340	0.7
119.01306	0.5
119.04893	32.5
120.05194	0.9
121.01997	0.6
121.02812	5.8
123.00733	2.0
123.04365	1.5
125.02312	12.5
125.05785	0.3
126.02581	0.4
133.02853	0.5
135.00746	0.8
135.04388	0.9
136.01535	1.3
137.02322	3.9
143.03392	0.8
143.04910	2.6
145.02847	2.5
147.04382	0.5
149.02335	4.8
151.00258	11.0
151.03867	0.5
155.03351	1.1
161.04506	0.4
161.05968	1.1
163.00267	5.4
163.03970	1.0
164.01050	1.7
165.01817	7.6
167.03410	2.6
171.07785	0.3
175.02348	1.4
175.03766	0.5
177.01892	2.0
179.03432	1.4
185.06006	1.4
185.18661	0.3
187.03918	3.1
190.99803	0.7
191.03444	1.5
193.01358	22.7
194.01685	0.7
199.07616	0.7
203.07124	0.5
205.01447	2.0
207.02962	1.9
219.02942	2.2
223.02469	3.5
226.06400	0.7
227.07100	1.7
229.04974	0.8
239.07193	0.5
240.07898	1.4
241.08636	1.2
243.06587	0.6
245.08269	0.7
249.04135	0.4
253.14455	1.1
255.10263	0.5
269.08276	2.0
271.06143	8.4
272.06378	0.4
283.06104	2.0
284.03455	0.4
285.07648	0.4
297.07611	0.5
311.06073	0.4
313.07202	100.0
314.07587	3.8
325.07138	2.0
343.08255	26.6
344.08707	0.6
347.17355	0.7
355.08182	1.9
385.09357	0.7
389.22269	0.4
397.09372	0.6
397.18567	1.4
415.10849	1.9
415.19675	8.5
427.99457	0.4
433.11395	20.5
433.20813	25.5
434.11609	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36068	0.3
56.65711	0.3
59.01243	100.0
59.02464	1.7
61.98714	0.7
71.01249	1.3
72.60247	0.4
89.02285	0.9
96.95855	1.2
101.02303	1.1
104.68589	0.5
108.02066	0.6
109.02830	1.8
119.03333	0.6
119.04877	0.7
121.02872	0.6
134.03619	1.8
135.04424	1.4
145.02831	1.1
146.03621	46.3
147.04442	4.4
149.05989	1.1
153.01837	2.3
161.05975	14.5
163.03859	1.2
164.04689	31.2
165.05045	0.9
175.03912	21.5
176.04362	0.4
179.07050	90.5
180.07451	2.4
190.06282	24.1
191.06552	0.7
193.04980	2.7
239.65079	0.4
241.00056	0.5
255.01952	0.6
279.06451	0.5
310.08414	1.6
325.10825	13.0
325.26556	1.8
326.11078	0.7
343.11890	6.6
433.24393	3.0
444.60300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00113	1.6
59.01242	100.0
59.02543	1.4
60.01578	0.8
67.01678	0.4
71.01266	0.8
85.02817	0.4
89.02296	0.9
91.30166	0.4
91.73366	0.4
96.95889	0.9
101.02313	0.9
108.02066	0.5
108.56757	0.5
109.02824	1.7
119.03388	0.4
119.04905	0.7
121.02849	0.4
133.02843	0.4
134.03633	0.9
135.04398	2.0
139.57465	0.4
145.02844	1.4
146.03619	48.6
146.08565	0.6
147.04433	4.4
149.05994	1.4
153.01836	1.8
159.04362	0.5
161.04669	0.5
161.05969	15.2
163.03917	1.2
164.04691	34.1
165.05057	0.9
175.03918	22.3
176.04291	0.8
179.01086	0.9
179.07047	95.0
180.07306	2.6
190.06277	26.9
191.06601	0.9
193.04964	2.6
202.48123	0.4
206.95647	0.4
251.07095	0.5
255.06860	0.5
310.08539	1.0
325.10834	13.6
325.26666	1.3
326.11200	0.6
343.11884	6.1
432.97641	0.5
433.04074	0.5
433.14590	0.5
433.24359	1.2
444.59894	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.8
62.57814	0.1
67.01756	0.4
69.03308	0.2
71.01250	0.7
73.02810	0.2
78.95795	0.2
81.03291	0.3
83.04882	0.2
85.02806	6.9
85.56648	0.2
87.00730	1.5
93.03315	2.1
95.35513	0.1
99.04357	0.4
109.02785	0.5
111.04353	1.0
127.03872	1.8
136.82437	0.1
158.06108	0.2
171.02884	0.5
173.04482	1.2
191.05537	100.0
191.12859	1.0
192.05869	2.2
193.05913	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24741	0.7
55.01750	1.6
56.18782	0.7
57.03326	2.5
58.65773	0.8
58.96446	0.8
59.01242	84.8
59.02462	1.3
62.13926	0.6
63.79831	0.8
71.01239	52.0
72.99182	2.2
73.02808	16.2
73.03194	0.9
83.01235	8.0
85.02803	23.8
87.00762	3.2
89.02296	26.0
91.73358	1.0
95.00749	0.8
95.01231	4.3
95.04927	0.9
96.95897	1.3
99.00737	6.7
101.02306	44.8
102.02634	0.8
102.98499	2.5
109.06502	2.0
113.02307	27.4
113.05627	0.8
116.67928	0.8
119.03374	11.6
125.02344	1.3
127.81145	0.8
129.01895	1.3
131.03392	1.2
137.09612	8.8
143.03395	3.9
149.09647	1.5
159.02917	6.0
161.04443	40.2
162.65968	1.7
163.07602	2.1
175.07567	7.7
176.07965	1.2
179.05573	5.2
181.08615	21.9
193.08739	2.4
211.09695	21.8
249.21805	0.8
269.42365	0.9
283.04874	1.6
286.17233	1.1
337.34363	0.8
373.15051	100.0
374.15302	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47721	0.3
55.01759	0.8
55.45849	0.3
57.03317	1.9
59.00065	0.9
59.01242	49.9
67.31535	0.3
68.76043	0.4
69.03326	0.9
69.89137	0.3
70.99672	0.7
71.01238	41.3
71.03011	0.4
72.01574	0.5
72.99178	1.4
73.01720	0.3
73.02804	13.6
75.00726	0.8
77.34227	0.3
79.07984	0.3
81.03318	0.5
83.01241	7.3
83.01699	0.7
85.02806	19.5
85.35919	0.3
86.03136	0.4
87.00742	2.3
89.02293	14.0
95.01237	3.1
96.95873	5.3
97.02817	1.2
98.98186	0.3
99.00740	5.5
101.02301	36.9
102.02650	0.4
107.04911	0.7
109.02810	0.4
109.06474	0.6
111.00746	0.5
113.02306	23.0
117.01789	0.5
119.03364	5.3
119.08558	0.4
120.99483	0.8
121.06510	0.4
125.02342	1.2
125.05893	0.4
129.01804	1.0
131.03375	1.0
131.08594	0.5
133.06415	0.5
137.09601	5.2
139.03883	1.8
143.03377	3.1
147.08089	0.6
149.04489	0.4
149.09627	1.7
159.02884	4.9
161.04453	27.1
162.04802	0.5
162.65962	0.8
163.07532	4.6
165.09109	0.5
175.07550	2.4
179.05550	1.6
179.07109	0.9
181.08600	5.4
193.08615	5.5
205.03481	0.6
211.09702	39.1
212.10109	1.3
223.42921	0.5
253.10677	0.4
267.02307	0.4
269.30930	0.3
309.59525	0.4
373.15054	100.0
374.15350	5.1
433.08139	0.9
439.03018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	3.5
58.75505	1.6
59.00015	1.7
59.01241	100.0
69.03347	1.9
71.00868	3.2
71.01237	34.7
71.04876	13.6
72.72592	1.6
73.00505	1.6
73.02798	4.4
75.44219	1.6
81.03304	3.4
83.01250	3.2
85.02806	11.8
87.00700	2.7
89.02295	33.4
89.19214	1.4
91.19473	1.7
95.01273	2.5
95.04878	1.7
97.02811	5.0
97.06447	6.9
99.00748	2.6
99.04388	3.0
101.02310	24.7
109.06450	2.1
113.02302	17.5
115.03868	70.2
116.04195	1.8
119.03342	16.5
137.36398	2.0
147.11702	2.8
150.04713	1.7
161.04460	6.4
165.12723	2.1
179.05511	3.4
190.70427	1.8
207.13692	2.0
209.15382	19.3
235.13364	5.8
253.14461	22.2
271.15463	22.0
300.02802	5.1
313.16541	3.7
339.58191	1.9
390.27682	2.6
433.20639	20.6
453.22861	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	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.6
57.03304	2.7
57.03560	0.8
58.00438	1.2
59.01241	100.0
59.02552	1.3
63.93602	0.8
65.03831	0.9
69.03307	2.1
70.76575	0.8
71.01236	48.8
71.04877	16.3
72.99149	2.3
73.02802	3.9
81.03309	15.6
83.01234	3.9
83.04874	3.8
85.02796	9.7
85.06457	1.1
87.00729	2.2
88.32164	1.0
89.02295	51.8
90.02621	0.9
95.01263	2.1
97.02812	5.7
97.06419	1.5
99.00755	1.7
99.04377	4.6
101.02299	34.1
109.06453	3.4
109.37495	0.9
113.02304	18.5
115.00594	1.4
115.03872	87.1
116.04216	1.3
119.03358	24.1
119.08533	8.1
123.07988	2.1
125.02319	1.7
126.03109	2.5
131.03377	1.0
135.08008	1.4
137.09599	17.1
143.03363	3.4
149.04413	1.0
151.00307	1.2
153.05495	1.3
153.09084	1.8
155.10690	3.0
161.04449	3.7
163.07489	5.1
179.05434	5.3
181.08611	16.0
191.14369	4.6
209.15405	14.1
235.13319	2.4
253.14447	20.3
271.15530	22.3
272.15872	1.1
289.39401	1.1
301.03546	4.9
313.16501	2.8
331.17709	1.1
336.46936	1.0
367.97870	1.1
391.19644	1.0
433.20837	25.1
434.21533	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89601	0.8
53.38890	0.8
57.03326	3.7
58.00481	1.4
59.00054	2.0
59.01241	100.0
61.57539	0.9
61.98700	1.4
63.02245	0.9
65.00208	1.5
67.01765	1.9
69.03333	3.6
71.01238	45.6
71.04875	11.3
72.99182	2.2
73.02821	3.5
81.03298	7.8
83.01272	4.6
83.04916	1.7
85.02801	11.0
85.03212	0.9
87.00763	3.0
89.00124	1.3
89.02293	62.9
90.02667	1.0
91.19785	1.0
91.73058	2.8
93.03340	4.2
95.01289	4.1
97.02807	6.5
97.06506	1.5
99.00743	1.4
99.04387	7.2
99.08003	9.5
101.02299	35.1
101.02931	2.3
107.01295	3.2
107.04899	2.0
107.53541	1.0
109.06445	19.1
109.07122	1.4
111.04411	2.1
113.02306	22.1
114.66700	1.0
115.00609	1.0
115.03873	73.0
116.04205	1.7
119.03365	22.9
119.04830	7.5
121.06501	1.1
123.08027	27.6
123.08886	1.6
125.02350	2.4
126.03156	3.1
129.05493	2.2
131.03398	1.7
135.08156	1.2
135.11650	1.1
137.09599	5.8
143.03433	5.3
149.04512	2.5
149.06001	1.5
151.00258	12.8
151.07536	2.2
151.11226	2.1
152.00751	1.2
153.05478	8.0
153.12823	2.3
155.10736	1.8
161.04507	4.5
164.01112	2.0
167.07144	2.7
169.12393	1.2
173.13304	2.4
177.01915	1.4
179.05522	6.7
189.12802	1.0
191.14323	22.8
191.15916	1.5
209.15417	9.8
233.91788	1.0
235.13429	4.9
235.93680	1.0
253.14452	31.8
254.14926	2.1
271.06128	29.3
271.15500	12.2
272.06439	2.2
313.16376	2.2
433.11584	9.2
433.20786	23.4
434.21442	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	433.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09973	1.3
55.01754	1.9
57.03318	3.4
58.00460	2.0
59.00160	1.8
59.01245	100.0
59.02438	2.2
69.03319	4.0
71.01241	47.7
71.04886	5.6
72.99176	2.2
73.02805	7.3
81.03321	16.7
83.01247	10.0
84.02023	2.6
85.02813	12.8
87.00732	3.0
89.02299	48.6
93.03341	2.2
95.01261	3.5
97.02802	8.5
99.00751	2.5
99.04375	19.9
99.08041	2.1
101.02309	46.1
109.06458	5.8
113.02319	20.0
115.03877	69.5
119.03365	18.4
123.08022	14.1
125.02370	1.9
131.03444	2.6
137.09615	3.9
143.03380	6.9
151.11180	2.3
161.04477	6.0
167.06996	2.1
168.50948	1.5
179.05540	6.3
191.14334	12.9
207.97163	1.6
209.15439	6.2
235.13306	4.2
239.64125	1.6
246.09734	1.5
253.14528	20.0
256.00192	1.5
271.15662	7.0
289.16336	2.1
321.63593	1.5
331.17896	2.2
397.18723	7.4
415.19791	42.3
416.20169	2.1
433.20792	95.2
434.21152	2.8
453.96274	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10503	1.6
51.66872	1.6
52.02727	1.6
53.58010	1.8
57.03302	2.6
59.01240	17.0
59.35426	1.7
61.98695	4.2
68.63725	1.8
68.99677	12.3
73.02806	100.0
73.04185	2.2
78.95757	2.6
84.00791	2.0
84.99179	4.8
89.02297	2.1
99.00729	20.2
101.84760	1.7
117.01755	3.0
117.03312	16.0
118.03687	1.9
119.04892	17.2
121.02824	7.7
145.02834	47.2
146.03174	4.1
152.99478	6.4
163.03911	7.4
177.38094	1.8
192.95789	5.0
224.58994	2.8
232.94632	2.2
249.93585	2.0
253.16133	2.3
267.17462	2.4
269.19009	15.0
271.20691	11.7
297.18649	17.2
315.19693	40.7
316.20074	2.3
333.20755	89.4
334.21140	6.5
339.19800	3.1
350.94699	3.2
357.20752	89.4
357.25211	4.5
358.21207	4.3
383.18671	5.6
401.19736	57.1
402.20071	3.3
415.24860	7.3
419.20801	57.4
432.27710	3.2
433.22144	15.6
433.27298	25.2
451.05743	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	433.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66954	1.1
51.83709	0.9
59.01241	100.0
59.02471	2.2
59.64550	1.0
61.98685	1.5
108.02024	1.3
109.02821	1.9
130.51321	1.5
131.98875	1.3
152.01044	1.5
153.01839	1.8
171.61861	1.3
297.18552	28.0
315.19684	3.9
329.21179	6.2
333.87943	1.3
347.22421	6.3
357.20825	6.9
373.06601	1.7
389.23367	48.7
390.23663	2.7
452.46863	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2232
Annotation	Nigakilactone C
Peak:m/z	Relative Intensity
50.96121	0.5
54.26960	0.7
55.01742	2.5
57.53227	0.6
59.01243	10.6
61.20956	0.6
61.98693	0.9
71.01243	0.8
71.30307	0.7
73.01166	1.5
73.02803	100.0
76.97765	0.7
78.95754	0.8
89.02305	1.0
100.76462	0.7
101.02309	0.9
128.03366	0.8
135.04340	0.9
145.02850	2.1
146.04501	1.4
152.99478	1.5
192.95879	1.6
227.27261	2.2
253.16057	1.9
267.17493	0.9
269.19104	7.7
271.20734	4.5
297.18625	12.5
315.19739	4.9
333.20810	1.8
371.22339	2.2
389.23349	79.0
390.23782	6.1
433.22150	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	433.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09742	0.1
53.20364	0.1
59.01233	0.6
59.17126	0.3
62.96252	0.2
78.93955	0.7
78.95760	45.1
78.97842	0.4
90.10998	0.1
96.96819	6.0
116.51460	0.2
117.03326	0.6
119.04893	0.8
121.02811	0.2
135.16373	0.2
145.02849	1.3
150.97914	1.6
152.94643	1.2
152.99472	100.0
153.99814	0.8
163.03871	0.3
171.00540	4.2
205.86179	0.1
279.23285	1.1
415.24841	2.8
416.25388	0.2
433.23645	7.5
434.24063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17826	0.2
59.01238	0.8
59.17142	0.5
62.81432	0.3
62.96293	0.3
73.33308	0.2
78.93948	0.9
78.95762	55.4
78.97802	0.5
96.96824	5.9
105.52109	0.2
110.47704	0.2
146.65985	0.2
150.97920	1.8
152.01039	0.5
152.94617	1.3
152.99478	100.0
153.99799	0.8
169.22516	0.2
169.77357	0.2
171.00555	3.2
226.08472	0.2
233.07204	0.2
248.90813	0.3
279.23254	1.0
303.65991	0.2
388.64096	0.3
413.86292	0.3
433.23651	10.3
434.23917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17148	0.5
62.96280	0.3
63.71291	0.2
65.13100	0.1
75.76428	0.2
78.94086	0.6
78.95760	47.9
78.97717	0.7
96.51273	0.2
96.96822	6.9
116.58452	0.2
150.97905	1.7
152.99475	100.0
153.04755	1.0
153.99831	0.7
171.00546	3.9
279.23236	1.3
324.06689	0.2
395.72363	0.2
415.25064	0.2
433.23642	7.7
434.24213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04443	0.2
52.45676	0.2
55.83297	0.2
58.19991	0.6
58.20261	0.5
59.01248	1.4
66.80526	0.2
71.77859	0.3
73.64513	0.2
78.95763	0.6
93.03319	0.5
116.58032	0.3
117.03329	18.4
118.04134	1.1
119.04893	31.5
120.05241	1.0
121.02821	17.6
122.03156	0.4
123.04366	0.3
133.02864	1.3
134.03589	0.7
135.04390	2.3
137.02362	0.3
144.97917	1.0
145.02835	100.0
146.03175	2.7
150.94772	0.3
152.99487	0.6
161.02386	1.3
162.03087	0.4
163.03903	22.0
164.04196	0.4
179.03377	0.9
192.95796	0.5
251.19827	0.4
269.21231	2.1
287.22299	8.6
288.22592	0.4
415.24921	8.4
416.24991	0.4
433.25992	42.3
434.26392	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	433.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44062	0.3
58.19968	1.2
58.20287	0.7
59.01243	0.7
68.00394	0.4
99.07964	0.4
100.87183	0.4
117.03323	16.0
118.04119	1.2
119.04891	40.1
120.05237	0.7
121.02814	5.7
133.02803	2.0
134.03590	1.4
135.04384	6.4
137.02312	0.6
145.02831	100.0
145.07370	1.2
146.03168	2.2
151.15794	0.4
161.02309	3.9
163.03903	35.5
164.04283	0.9
179.03427	2.4
269.21335	2.6
287.22290	8.5
318.99744	0.5
334.07321	0.4
393.87460	0.4
415.25003	6.7
416.25186	0.5
433.25970	68.1
434.26328	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	433.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76873	0.4
55.61373	0.6
56.51012	0.3
58.20152	0.6
59.01120	1.5
59.01434	0.9
62.14991	0.4
78.95654	0.8
93.03159	1.4
101.26713	0.4
101.64979	0.5
106.03058	1.0
106.04005	0.7
107.04774	0.9
109.02753	0.5
117.03148	16.4
117.04059	1.6
118.03957	1.6
119.04711	20.5
119.05633	1.9
120.05038	1.8
121.02637	26.5
121.03592	2.1
123.04211	1.8
132.01834	0.8
133.02646	16.7
133.03719	0.9
134.03416	13.7
134.04521	1.2
135.04204	45.7
135.05818	1.3
136.04578	0.7
137.02318	5.6
139.03693	2.6
145.02832	46.7
145.04407	1.6
146.02975	5.3
147.03200	1.3
147.04373	0.4
150.02951	0.5
152.99263	1.6
161.02335	28.3
162.02786	1.5
163.03911	12.7
164.04068	1.7
165.01752	0.7
178.02682	2.5
179.03410	17.4
192.95618	0.9
251.20079	0.9
256.80380	0.5
375.21790	0.6
415.24924	63.5
416.25223	3.4
432.24814	2.5
433.25964	100.0
434.26297	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	433.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24417	0.2
59.01228	0.6
61.62944	0.3
65.03827	3.8
67.01746	0.4
68.35979	0.3
69.03316	0.6
71.01237	0.8
73.02787	0.4
74.26095	0.2
78.95760	7.6
81.03312	5.3
83.01248	0.5
83.04881	12.8
90.44912	0.3
93.00999	1.4
93.03315	100.0
94.03645	1.3
95.01243	0.9
96.02029	1.6
96.96815	0.8
102.93922	0.3
108.02036	0.3
109.02821	0.8
111.00661	0.3
111.04380	29.7
112.04699	0.3
113.08818	0.3
117.03310	0.9
119.04904	1.4
121.02818	0.4
136.98123	1.0
137.02322	79.3
138.02675	1.5
145.02817	2.5
152.99475	12.8
154.98326	0.9
155.03391	81.4
156.03780	1.3
162.94991	0.3
163.03894	0.6
171.00554	0.4
188.89825	0.3
221.49739	0.3
229.63388	0.3
233.66792	0.3
277.21732	16.7
278.22150	0.6
279.23358	0.3
288.30453	0.3
363.02328	0.3
415.24979	3.3
433.25278	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	433.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22481	0.6
55.01744	0.7
55.99147	0.6
56.14435	0.5
57.03299	0.8
59.01242	1.4
63.51483	0.6
65.03830	1.5
71.01242	3.0
74.76900	0.6
75.02256	1.4
75.24281	0.5
78.93985	0.8
78.95761	35.6
79.15765	0.5
81.03320	4.4
83.01236	7.3
83.04395	1.0
83.04883	14.1
88.68782	0.6
93.01021	1.5
93.03318	100.0
93.05888	1.2
94.03647	0.7
96.96836	4.3
99.00732	0.9
109.02821	1.3
111.00754	1.7
111.04384	48.3
112.98717	0.6
117.03349	0.9
119.04883	1.6
136.98224	0.6
137.02322	40.4
142.99734	1.4
145.02841	3.9
149.55153	0.7
150.97891	1.9
152.94612	1.1
152.99481	71.7
154.98578	1.4
154.99817	3.0
155.03395	89.7
156.03712	1.0
171.00551	2.6
224.31496	0.7
259.61786	0.7
277.21753	9.9
279.23306	0.8
296.77573	0.8
415.24973	6.8
433.23257	9.4
433.29584	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1298
Annotation	Nothofagin
Peak:m/z	Relative Intensity
55.93270	0.7
57.03305	1.0
59.01242	3.8
60.01571	0.5
63.49001	0.3
65.00171	0.4
66.72051	0.3
67.17473	0.3
68.99678	1.2
69.03306	0.9
71.01238	1.5
71.04868	0.7
74.07369	0.3
79.05412	0.4
81.03316	9.8
83.01232	3.5
83.04865	0.4
85.02793	0.7
89.02280	1.4
93.03312	4.3
95.01252	0.7
95.04878	8.2
97.02805	4.0
99.04376	5.2
101.02287	0.9
105.03328	0.5
107.01240	0.4
107.04884	0.5
109.02805	0.5
111.04369	0.9
113.02303	0.6
114.02618	0.4
115.03860	1.3
117.04304	0.5
119.03383	0.4
119.04887	7.0
120.05251	0.3
121.02804	1.3
121.06433	0.6
122.03583	0.9
123.00713	0.6
123.04388	13.6
124.04691	0.4
125.02314	18.2
126.02615	0.4
135.04398	1.3
137.02362	2.8
137.05962	11.2
139.03900	2.7
141.05399	0.8
145.06480	0.4
145.71214	0.3
146.85822	0.3
147.04378	1.5
149.02325	0.8
149.05943	1.1
151.00308	0.4
151.03963	0.7
153.05414	0.5
155.03381	0.9
163.00281	0.4
163.03972	0.5
163.07518	1.0
165.01854	0.4
165.05469	7.8
166.02650	0.7
166.97496	0.5
167.03400	40.2
168.03757	1.2
177.05544	0.5
179.03409	7.9
180.04077	0.4
181.04961	1.4
187.07495	0.4
189.05501	4.7
191.03494	0.7
191.07097	0.6
193.04982	1.2
197.04463	3.1
207.02922	0.7
209.04489	14.1
210.04979	0.4
221.04485	3.0
231.06654	0.4
239.05531	1.1
251.05559	0.4
254.14893	0.4
271.09747	0.5
273.07700	8.7
285.07794	2.1
315.08762	100.0
316.09064	6.2
327.08725	1.3
345.09805	25.7
346.10074	1.9
357.09802	1.0
371.41043	0.3
376.60324	0.4
417.11789	1.5
435.12964	6.1
436.13101	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18047	0.3
54.55656	0.3
59.00124	0.7
59.01244	49.1
59.02441	0.7
60.01566	0.6
71.01230	0.9
72.99162	0.4
77.53432	0.4
78.95754	1.3
85.02797	1.4
87.00740	0.3
87.92381	1.1
88.98660	4.9
89.02296	3.1
91.72684	0.7
93.03316	1.6
96.95860	0.8
96.96818	2.7
103.91866	2.4
104.92672	1.4
111.00764	0.6
121.02835	0.9
122.03590	3.4
134.03651	0.4
135.98235	0.9
144.95798	1.2
145.96585	1.8
150.03116	33.1
150.08139	0.5
151.03453	0.4
156.95850	1.0
161.96124	1.3
165.05475	100.0
166.05791	2.1
191.05547	15.4
195.06570	0.6
199.94041	1.1
200.94884	1.2
213.05589	0.7
213.07640	14.0
251.97548	0.4
257.98221	2.6
282.34302	0.4
283.96310	1.7
296.57849	0.5
351.36682	0.6
365.04602	1.2
367.32385	0.4
435.15625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48364	0.6
57.03317	6.2
57.44594	0.5
58.02831	1.4
58.52516	0.5
58.99990	0.8
59.01244	64.0
59.02361	0.9
60.01566	0.7
61.98662	0.7
65.15195	0.6
69.03306	1.6
71.01231	2.3
71.04881	0.7
73.02815	0.8
74.02346	3.2
82.02825	1.0
83.01226	0.8
83.04863	1.0
83.62971	0.6
86.02324	2.3
89.02312	0.6
89.83102	0.8
93.03345	0.9
99.05486	3.0
101.02296	0.9
105.06951	3.7
107.01244	1.8
107.67881	0.7
113.02345	0.9
119.03288	0.7
119.04896	3.0
120.05182	1.0
122.03582	0.9
128.03412	7.8
129.03745	2.0
133.06430	1.0
135.05507	0.7
135.08017	6.2
137.09575	1.1
143.04514	11.0
144.04865	2.0
146.04526	1.4
151.00279	3.2
152.00490	1.3
153.00775	1.4
153.06747	0.7
155.08504	1.6
157.06514	1.2
159.07993	0.7
161.09995	0.9
164.01050	0.9
171.08054	1.0
173.09682	3.2
175.11185	4.9
176.70888	1.6
179.04539	1.6
179.07002	1.1
180.04820	1.3
187.11118	1.3
191.07042	1.1
195.06616	1.1
210.08847	2.2
211.09149	1.6
243.13902	1.8
251.18022	1.0
254.07828	3.9
255.08112	3.5
265.16208	1.4
267.17545	10.3
269.19077	9.2
271.06122	3.9
272.06448	4.2
272.08844	3.5
273.06708	8.1
273.09286	2.7
273.12332	1.2
285.18674	6.2
287.20261	2.2
295.16888	1.5
305.15265	0.7
313.18127	14.5
331.19174	100.0
332.19446	3.9
349.20352	3.1
391.21310	37.3
392.21671	2.2
417.19043	1.5
434.19739	1.8
435.12708	3.5
435.20013	10.8
436.19135	1.3
455.46545	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2023
Annotation	Leopersin N
Peak:m/z	Relative Intensity
57.03305	1.2
59.00048	1.3
59.01242	63.6
59.02535	0.7
60.01571	1.0
61.25985	0.7
63.37529	0.6
68.82326	0.6
69.03306	1.3
71.01228	1.3
73.93729	0.5
76.82376	0.6
83.04872	1.4
89.02282	0.9
91.72810	1.4
91.73378	1.2
95.04879	0.7
97.06464	0.9
100.17052	0.6
101.02312	0.8
103.22172	0.7
107.04896	0.7
115.03864	1.1
119.08508	0.9
155.27310	0.6
157.75627	1.6
168.68164	0.6
179.07274	0.7
197.13234	0.8
199.11183	2.7
199.12993	1.0
199.14857	20.3
200.15129	1.3
203.14285	1.1
213.12744	1.5
215.14401	4.6
217.15930	2.3
237.16884	0.6
239.18076	1.2
241.15990	1.3
243.13902	1.3
251.18080	3.1
253.15950	1.1
255.17479	1.1
267.17523	4.8
269.19113	9.5
275.89627	0.7
285.18579	1.9
287.20181	3.1
295.16922	0.9
313.18097	21.9
314.18460	1.1
315.08643	1.1
331.19131	21.5
332.19580	1.2
349.20218	40.3
350.20633	3.0
350.70917	0.7
369.88263	0.7
373.20105	1.9
375.19308	1.6
391.21304	100.0
392.21747	7.4
401.66125	0.7
425.73865	0.8
435.21158	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	435.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02257	0.9
57.03325	2.5
59.01244	59.0
59.02453	1.0
61.98709	1.7
67.77084	0.8
69.03313	10.4
71.01255	2.2
72.99163	7.2
75.00742	9.5
75.58714	0.9
79.09157	0.8
81.03335	2.8
83.01259	1.1
83.04887	1.0
84.86620	0.9
87.00758	1.2
89.02324	2.5
91.11472	0.9
91.72731	2.3
93.03355	1.0
95.04942	1.2
101.02289	1.5
111.04486	0.9
113.53481	1.0
115.03896	2.1
115.26704	1.0
119.04933	3.2
123.04373	6.6
125.02332	2.9
142.47511	0.9
167.03397	18.7
190.67198	0.9
191.03494	2.2
199.14867	1.2
209.04593	1.3
235.14943	1.5
251.14537	1.9
251.18143	3.0
252.15213	2.8
267.17606	4.2
269.19165	8.6
273.07709	24.2
287.20255	2.3
297.07782	5.2
313.18100	12.1
331.19193	24.8
333.20724	2.9
349.20236	38.5
349.24234	2.1
350.20505	1.5
373.20230	3.4
391.21301	100.0
391.41922	1.2
392.21704	3.0
426.93167	1.3
435.17163	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	435.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38338	0.4
57.03325	0.6
59.00003	1.6
59.01244	100.0
59.02340	1.4
60.01605	0.5
61.98704	2.9
71.01241	3.3
73.02804	1.8
83.01247	0.7
85.02812	0.9
89.02308	2.6
99.29460	0.6
101.02312	3.6
107.04916	2.3
113.02301	1.0
115.03893	0.7
120.05685	1.4
121.06542	1.1
152.94009	0.6
153.09122	1.0
157.75671	2.2
161.04448	0.7
163.06085	1.5
173.04471	0.7
175.02440	0.6
179.07129	0.8
198.93854	0.7
205.07191	0.7
213.16452	1.1
235.14928	2.8
251.14256	0.9
251.18149	2.9
252.15047	0.7
253.16081	2.1
257.19150	2.4
259.20755	1.1
265.16153	0.7
267.17627	3.1
269.19107	12.9
273.08359	0.6
273.20728	2.4
277.35312	0.6
283.17093	0.9
285.18665	2.4
287.20108	2.8
295.17178	1.0
305.21240	1.0
313.18146	15.3
314.18597	1.4
331.19165	11.2
332.19507	1.0
337.75461	0.7
349.20230	24.2
350.20636	1.6
353.19659	0.7
373.20227	9.0
391.21310	88.9
392.21609	6.0
397.18607	3.7
435.26151	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	435.2235
Annotation	HC-toxin
Peak:m/z	Relative Intensity
52.71460	0.2
57.03316	1.4
58.00460	2.3
58.55315	0.2
59.00147	1.4
59.01241	100.0
59.02501	1.6
60.01580	0.7
60.99171	0.7
69.03307	0.5
71.01238	43.0
71.02864	0.6
71.04880	1.1
72.01561	0.3
72.99172	1.5
73.02790	1.4
75.59070	0.3
81.03324	4.6
82.99279	0.3
83.01239	3.6
84.02029	0.8
85.02806	9.4
87.00745	1.9
89.00270	0.8
89.02295	59.8
89.04599	0.8
90.02641	0.5
95.01237	2.9
97.02798	1.7
99.00743	0.6
99.04369	5.8
101.02299	38.6
101.05093	0.6
102.02614	0.4
112.99384	0.3
113.02306	20.6
114.02612	0.4
115.03867	5.2
119.03365	34.6
119.06955	0.5
120.03757	0.5
124.48020	0.3
125.02320	0.6
131.03349	3.1
139.11136	0.4
143.03375	5.0
147.84880	0.8
149.04449	2.3
151.11174	0.5
153.12729	0.9
159.12552	0.3
161.04472	3.4
163.11163	1.2
169.12286	1.0
175.14856	2.6
179.05515	9.2
181.12271	1.5
191.14345	0.6
193.15906	22.2
194.16269	0.8
196.96960	0.3
209.15440	0.9
211.16951	0.5
219.13803	1.3
237.14931	7.4
239.65143	0.3
251.18074	0.3
255.16026	7.4
269.19128	0.9
273.17081	1.8
313.18097	1.0
357.99417	0.3
373.20062	0.6
391.21326	6.2
392.21350	0.5
417.21292	0.4
435.22372	64.7
436.22830	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	435.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36520	0.8
50.92928	0.5
51.11791	0.8
55.27851	0.5
57.03303	1.5
59.01241	19.1
60.47799	0.4
62.27169	0.5
67.01756	3.1
68.99695	0.6
71.01235	17.2
72.99159	3.6
73.02811	1.4
78.95759	26.6
83.01240	4.2
85.00830	0.8
85.02806	48.2
85.05015	0.5
85.74249	0.5
87.00731	63.3
91.73397	0.9
95.01264	0.5
96.96810	4.3
99.00728	0.7
107.04860	0.4
111.00758	1.8
112.98647	3.1
113.02335	1.9
113.99434	0.9
114.97146	0.9
115.00235	53.4
118.17693	0.5
119.04904	1.2
124.98360	0.6
129.01807	9.8
129.02701	1.0
133.88727	0.5
138.09125	0.6
145.02875	0.9
150.97906	1.1
152.99475	62.4
157.01318	62.8
171.00565	2.3
175.02391	27.0
176.02776	0.6
200.01985	0.5
259.20908	0.7
263.12527	0.6
275.20224	0.6
277.21735	100.0
278.22134	4.9
281.25015	0.7
299.23798	0.7
299.35605	0.5
306.78735	0.5
361.23944	1.0
372.33600	0.5
391.32129	0.7
397.23898	2.2
406.80737	0.6
418.52295	0.6
435.23926	58.3
436.24081	2.9
449.87845	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37320	0.1
59.01210	0.1
59.17150	0.4
78.93960	0.8
78.95758	48.3
78.97844	0.5
82.06837	0.1
84.12125	0.1
90.75696	0.1
91.73319	0.1
96.96819	5.8
103.46809	0.1
115.59499	0.1
128.60564	0.1
150.97913	1.7
152.94643	1.2
152.99471	100.0
153.99820	1.0
168.35558	0.1
171.00539	4.0
171.02014	0.2
176.23247	0.1
176.34973	0.1
179.07115	0.2
256.47385	0.1
281.24829	1.6
302.09659	0.2
391.15411	0.2
435.13956	0.6
435.25186	9.0
436.25443	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95907	0.2
59.17151	0.6
62.96261	0.2
75.02555	0.2
78.95759	49.8
78.97641	0.7
83.58866	0.2
88.42602	0.2
96.96818	5.9
102.91264	0.2
118.85158	0.2
134.60808	0.2
139.37628	0.2
150.97916	1.5
152.99472	100.0
153.04340	1.1
153.99812	0.8
171.00554	3.6
179.07030	0.5
188.49599	0.2
191.07028	0.3
195.06593	0.3
281.24768	1.6
375.14499	0.7
413.86288	0.3
413.90900	0.3
435.25201	9.9
436.25470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70473	0.6
55.70717	0.3
59.01235	1.1
60.20628	0.2
61.98688	0.3
62.25750	0.3
62.26022	0.2
66.45609	0.3
75.50985	0.2
91.66737	0.3
92.52229	0.2
93.03317	0.5
104.27875	0.2
106.04109	0.4
107.04882	0.7
107.71539	0.2
110.30962	0.3
117.03297	0.5
119.04884	1.0
121.01930	0.3
121.02814	5.7
121.03624	0.5
126.17471	0.2
133.02829	14.8
133.99411	0.2
134.03615	12.5
135.04393	41.0
136.04730	1.0
137.02322	6.7
139.03886	2.0
145.02829	1.0
146.03125	0.4
149.02361	0.3
150.03084	0.4
152.99429	0.3
161.02335	26.5
162.02657	0.7
163.03923	0.4
178.02599	2.9
178.96771	0.3
179.03406	19.5
180.03752	0.5
219.13879	0.7
221.60706	0.3
234.68378	0.2
285.22211	0.3
297.22296	0.4
303.15811	0.3
377.23361	2.3
391.29065	0.4
417.26205	1.1
435.27548	100.0
436.27850	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92187	0.5
53.91522	0.4
54.04648	0.4
54.65064	0.4
59.01231	0.4
64.66316	0.4
65.03819	2.9
77.51750	0.5
78.93678	0.6
78.94062	0.9
78.95760	56.8
78.97638	0.7
81.03313	3.2
83.04875	8.9
88.43873	0.4
93.03314	73.5
93.05714	1.0
94.02151	0.5
94.03656	1.3
96.02025	1.3
96.96817	5.7
111.04380	21.1
137.02321	61.1
138.02649	1.1
150.97887	1.4
152.99474	100.0
153.99805	0.8
155.03387	69.7
156.03682	1.0
171.00598	3.0
194.22505	0.5
250.27275	0.6
279.20297	0.8
279.23297	16.3
280.23697	0.6
281.24747	2.0
320.12228	0.5
346.98166	0.5
435.25104	16.4
436.25259	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70483	1.3
59.01237	2.4
64.30824	0.5
65.09999	0.6
65.97803	0.6
93.90523	0.6
107.04884	0.8
111.00764	0.7
112.01814	0.5
117.03352	0.9
119.04889	2.7
121.02828	2.6
133.02835	12.6
134.03621	10.9
135.04395	34.6
136.04733	0.9
137.02307	6.2
139.03893	2.5
145.02832	3.1
150.03067	0.9
152.03799	0.5
152.99475	1.1
161.02341	23.4
161.06039	0.6
163.03918	1.0
178.02681	2.9
179.03415	17.6
219.13911	1.4
231.17513	1.3
258.48813	0.6
377.23425	3.6
417.26505	5.3
435.27570	100.0
436.28027	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	435.2759
Annotation	(-)-Salvisyriacolide
Peak:m/z	Relative Intensity
51.32567	0.4
54.42002	0.3
59.01226	0.7
74.98141	0.7
75.33787	0.3
75.73272	0.4
76.45625	0.4
80.76897	0.4
81.35638	0.3
91.73344	0.4
93.03300	0.5
99.08015	6.0
104.12010	0.4
106.04108	1.7
106.52891	0.7
106.53520	0.7
107.04900	2.3
117.03329	5.8
117.54388	0.4
118.03663	1.7
118.04272	0.4
119.04893	10.9
120.05244	2.8
121.02831	5.0
121.05579	0.6
121.10139	2.0
122.03171	0.8
123.04408	0.6
133.02846	0.5
133.06491	0.5
139.11134	0.9
145.02835	14.2
146.03171	4.8
147.03362	1.6
154.11072	0.4
154.99883	1.1
162.03053	0.7
163.03925	3.7
164.04218	1.1
165.04581	0.4
189.12726	0.5
191.14333	1.7
203.14339	0.9
215.14238	0.7
219.13857	25.7
233.15437	1.3
235.13165	0.4
239.14404	1.2
241.15964	9.5
243.17479	1.2
245.19090	11.9
259.17044	1.3
273.18643	10.9
274.18964	0.5
279.13733	0.4
291.19647	1.1
341.25024	0.5
391.28714	0.6
403.34000	0.4
415.24811	0.8
416.25278	2.8
417.26038	32.9
418.26730	0.8
435.27554	100.0
436.28036	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	435.2755
Annotation	(-)-Salvisyriacolide
Peak:m/z	Relative Intensity
50.58158	0.5
51.31038	0.4
51.32609	0.5
54.33290	0.3
57.03358	0.6
57.39849	0.9
57.93961	0.4
58.19699	0.4
58.29942	0.6
59.01263	0.6
59.61878	0.4
62.32468	0.4
62.43879	0.4
62.65865	0.4
93.03355	0.8
99.08011	5.2
106.04176	1.3
106.52950	1.2
106.53689	1.1
107.04879	2.5
110.37318	0.5
117.03327	19.7
118.04187	4.0
119.04894	27.7
119.74718	0.4
120.05315	1.5
121.02818	8.3
121.10154	1.5
122.03206	0.6
123.04386	2.5
133.02895	1.8
133.06566	0.8
139.11238	0.6
143.96727	0.5
144.98106	0.6
145.02838	45.3
146.03159	4.6
147.03426	1.5
161.48012	0.5
162.03072	2.5
163.03911	12.2
163.05165	0.7
164.04335	0.7
191.14355	1.8
203.14488	1.0
215.14328	0.5
219.13863	26.2
220.14320	0.7
233.15569	1.0
235.13332	0.8
239.14403	1.2
241.15974	9.3
242.16299	0.5
243.17595	0.9
245.19089	13.0
259.17157	1.7
273.18600	9.8
291.19794	1.9
335.22052	0.6
341.24850	0.9
373.27542	0.7
377.23544	1.2
391.28616	1.0
416.25662	2.2
417.26413	96.4
418.26825	3.1
435.27551	100.0
436.28021	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	435.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32567	0.4
54.42002	0.3
59.01226	0.7
74.98141	0.7
75.33787	0.3
75.73272	0.4
76.45625	0.4
80.76897	0.4
81.35638	0.3
91.73344	0.4
93.03300	0.5
99.08015	6.0
104.12010	0.4
106.04108	1.7
106.52891	0.7
106.53520	0.7
107.04900	2.3
117.03329	5.8
117.54388	0.4
118.03663	1.7
118.04272	0.4
119.04893	10.9
120.05244	2.8
121.02831	5.0
121.05579	0.6
121.10139	2.0
122.03171	0.8
123.04408	0.6
133.02846	0.5
133.06491	0.5
139.11134	0.9
145.02835	14.2
146.03171	4.8
147.03362	1.6
154.11072	0.4
154.99883	1.1
162.03053	0.7
163.03925	3.7
164.04218	1.1
165.04581	0.4
189.12726	0.5
191.14333	1.7
203.14339	0.9
215.14238	0.7
219.13857	25.7
233.15437	1.3
235.13165	0.4
239.14404	1.2
241.15964	9.5
243.17479	1.2
245.19090	11.9
259.17044	1.3
273.18643	10.9
274.18964	0.5
279.13733	0.4
291.19647	1.1
341.25024	0.5
391.28714	0.6
403.34000	0.4
415.24811	0.8
416.25278	2.8
417.26038	32.9
418.26730	0.8
435.27554	100.0
436.28036	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	436.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63423	1.3
59.01246	11.8
71.01228	1.8
72.99154	3.7
74.88789	1.5
86.02330	8.5
87.89546	1.4
93.03333	1.8
94.02899	1.5
96.95879	5.0
98.05968	1.7
102.00063	4.8
109.02827	3.3
111.01868	97.9
112.00265	36.6
112.00998	2.3
113.03436	25.5
120.01105	1.9
121.02802	3.3
121.05196	2.5
122.03616	5.7
122.05983	17.3
122.12366	1.4
124.07574	2.5
125.02330	2.2
129.02956	5.6
134.05968	2.7
137.02348	4.3
137.03459	18.6
139.05005	15.7
145.99109	2.4
146.03635	5.1
147.04057	2.7
147.06816	4.2
149.02309	4.4
161.08424	2.4
164.04639	2.5
165.04961	1.8
168.06573	10.4
171.02242	12.4
173.03841	5.9
174.09145	13.0
176.04611	1.5
176.10716	100.0
177.01871	14.1
177.11093	3.4
179.03462	3.3
179.07021	11.0
180.07443	5.5
187.06349	14.7
191.07069	4.4
192.07298	1.5
195.06567	5.2
201.10236	1.9
202.08690	44.0
202.10651	2.1
202.12250	10.0
204.08907	2.4
207.07228	1.9
208.07976	5.8
213.07957	3.1
214.08812	1.6
217.13460	2.3
219.11340	45.5
220.09727	8.5
220.11659	2.1
221.05606	2.1
226.42992	1.8
228.10323	8.8
242.16125	1.6
245.09346	1.9
245.12898	16.6
247.08580	5.5
252.07027	2.5
258.08749	1.9
261.12466	2.8
262.09122	4.0
263.10394	37.9
271.10934	2.1
271.14532	8.8
280.10077	3.7
285.11249	1.9
288.13589	8.9
289.11783	9.6
305.13519	5.6
314.15155	17.3
320.31406	1.7
332.12543	94.4
333.12781	7.4
348.13907	18.8
349.12109	11.5
358.14044	6.5
359.12189	2.5
375.14621	5.1
376.14902	11.1
392.08163	2.8
392.12930	32.7
393.12375	4.6
402.13095	22.1
436.11890	38.2
437.12488	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	436.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00171	1.5
59.01243	100.0
59.02487	1.7
61.98697	2.7
63.57167	0.5
71.01247	1.1
74.62097	0.3
92.57904	0.4
93.03302	1.8
94.03649	0.6
111.27760	0.4
123.69935	0.4
137.02327	0.5
155.03493	0.5
173.04478	7.1
174.04808	2.7
200.04645	0.4
233.09296	0.4
262.11685	1.0
363.52789	0.4
436.18243	0.7
442.75998	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2835
Annotation	phosphoethanolamine (P-16:0)
Peak:m/z	Relative Intensity
52.04766	0.3
53.93702	0.3
54.61204	0.3
59.01233	0.5
61.98690	0.6
62.34198	0.3
62.97363	0.3
64.52228	0.3
67.22626	0.4
75.81582	0.3
77.02773	0.3
77.98332	0.4
78.94010	1.3
78.95762	100.0
78.97766	1.3
79.62244	0.3
88.25057	0.3
96.96837	1.1
100.17319	0.4
121.99981	0.6
134.98428	0.5
139.96869	0.5
140.01067	28.1
186.10301	0.4
196.03732	0.4
239.15657	1.8
316.02127	0.4
375.23108	13.2
376.23526	0.5
403.46280	0.4
436.28357	70.7
437.28671	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.6
59.02773	0.3
60.77055	0.3
67.00460	0.5
67.11905	0.7
67.12200	0.3
70.14869	0.3
70.88054	0.7
70.88418	0.6
72.99165	0.5
91.73337	0.6
93.03302	0.6
101.43639	0.3
108.02014	0.8
109.02812	15.3
119.01241	1.2
121.02813	0.6
139.05360	0.4
144.45821	0.3
147.00719	0.7
147.04399	0.5
148.01544	3.4
149.02347	2.2
153.01826	9.6
155.04878	1.4
157.02837	0.9
159.04353	0.4
165.05356	0.3
167.03577	0.4
167.04909	1.1
169.02838	0.7
171.04431	1.5
173.04413	1.1
173.05867	0.6
175.00346	0.4
176.01068	5.1
177.01849	5.6
182.03662	1.9
183.02904	0.5
183.04442	8.0
184.05045	0.5
187.03897	0.9
189.01985	0.4
193.02829	0.4
195.04448	1.6
197.02350	0.4
198.03152	0.8
199.03925	3.9
200.04752	0.6
201.05377	0.4
205.01289	0.5
210.03268	1.6
210.95158	0.4
211.03952	26.7
212.04602	2.1
215.03464	0.5
215.10626	0.4
223.03792	0.6
226.02725	1.3
227.03473	7.7
228.04187	1.8
237.02063	0.4
238.02628	0.5
239.03473	14.8
240.04254	19.8
241.04674	1.0
254.02226	0.9
255.02986	60.0
256.03403	3.3
257.11734	0.4
267.02985	5.2
268.03445	0.4
275.12967	0.5
283.02496	100.0
284.03247	67.8
285.03864	6.1
315.16159	0.6
347.11475	0.7
359.15067	0.6
377.16150	0.5
381.12057	1.1
393.12012	1.3
409.11453	0.4
437.05121	1.0
437.10715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52415	0.2
59.01198	1.0
61.98688	0.2
62.92158	0.2
67.00458	0.3
67.11893	0.5
67.12183	0.3
67.23527	0.2
70.88038	0.5
70.88388	0.3
72.99140	0.6
74.96958	0.3
74.97745	0.2
81.03257	0.4
91.01692	0.3
93.03278	0.6
94.39352	0.2
96.95827	0.5
103.65469	0.2
108.02032	1.3
109.02816	19.3
110.03166	0.3
119.01250	1.3
121.02811	1.3
125.02296	0.5
127.05317	0.3
133.02791	0.5
139.05345	0.4
141.03305	0.3
143.04933	0.4
145.06396	0.3
147.00676	0.7
148.01558	3.2
149.02338	3.6
151.00214	0.3
153.01830	14.3
154.04068	0.3
155.04924	2.0
157.02805	0.9
159.04315	0.3
163.03850	0.3
167.03467	0.5
167.04871	1.0
169.02808	1.1
171.04436	1.5
173.04530	0.4
173.05925	0.7
175.00192	0.4
176.01073	6.1
177.01851	10.2
178.02412	0.4
179.03294	0.3
181.02870	0.3
182.03638	2.6
183.04436	10.7
184.05028	0.7
185.05989	0.3
185.34166	0.3
187.03845	1.0
189.01813	0.4
195.04437	1.6
197.02376	0.5
198.03119	0.9
199.03943	3.6
200.01102	0.5
200.04643	0.8
201.05534	0.5
205.01384	0.7
210.03165	2.4
211.03957	27.1
212.04532	1.9
213.01871	0.3
213.05376	0.3
214.02756	0.3
222.03072	0.3
223.03874	0.4
224.04791	0.5
226.02681	1.3
227.03453	8.1
228.04259	2.2
229.04948	0.5
231.02951	0.5
238.02716	0.5
239.03481	19.5
240.04262	19.4
241.04762	1.5
242.02325	0.4
243.03102	0.3
253.01550	0.3
254.02177	0.8
255.02983	53.7
256.03461	3.2
267.03000	5.6
269.11896	0.9
273.11298	0.3
275.12933	0.4
281.00919	0.4
282.89536	0.8
283.02499	100.0
284.03253	71.1
285.03922	10.1
285.11102	0.3
286.04407	0.4
319.12036	0.4
331.06052	0.3
347.11438	1.4
375.10971	0.7
393.11960	2.6
407.11514	0.9
437.05194	1.5
437.12811	0.7
438.14322	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09954	0.4
59.01234	1.0
62.73181	0.4
65.00169	0.5
67.11919	0.7
70.88087	0.7
70.88435	0.5
72.99165	0.7
81.03324	0.9
93.03312	1.0
100.66270	0.4
108.02016	0.8
109.02811	19.7
110.03126	0.5
117.54928	0.4
119.01244	1.0
121.02838	2.3
125.02293	1.8
134.92851	0.4
137.02382	0.4
139.03918	0.7
143.04958	0.4
147.00760	0.7
148.01534	2.9
149.02344	5.8
153.01822	12.6
155.04897	1.5
157.02849	1.0
167.03403	1.5
167.04927	1.4
169.02904	0.8
169.75958	0.5
171.04417	1.2
173.06023	0.9
175.00188	0.5
176.01062	5.9
177.01840	16.3
182.03622	2.3
183.04419	10.3
184.05052	0.8
187.04109	0.4
195.04445	1.5
199.03926	3.5
200.04726	1.3
201.05513	0.9
203.03487	0.5
205.01381	1.0
210.03194	2.1
211.03943	27.1
211.11792	0.4
212.04564	1.9
213.05417	0.6
226.02657	1.8
227.03436	7.3
228.04243	1.4
237.76662	0.4
238.02574	1.1
239.03479	17.9
240.04239	19.8
241.04855	1.2
241.12413	0.7
243.03035	0.5
255.02977	53.1
256.03293	3.5
257.11902	0.8
267.02985	5.2
269.11865	1.8
273.07962	0.5
283.02493	100.0
283.14667	0.9
284.03247	71.5
285.03931	8.8
287.12793	0.6
305.06741	0.9
317.06589	1.3
331.11887	0.7
347.11417	2.3
375.10861	0.7
393.11871	3.6
437.05121	1.2
437.11920	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09954	0.4
59.01234	1.0
62.73181	0.4
65.00169	0.5
67.11919	0.7
70.88087	0.7
70.88435	0.5
72.99165	0.7
81.03324	0.9
93.03312	1.0
100.66270	0.4
108.02016	0.8
109.02811	19.7
110.03126	0.5
117.54928	0.4
119.01244	1.0
121.02838	2.3
125.02293	1.8
134.92851	0.4
137.02382	0.4
139.03918	0.7
143.04958	0.4
147.00760	0.7
148.01534	2.9
149.02344	5.8
153.01822	12.6
155.04897	1.5
157.02849	1.0
167.03403	1.5
167.04927	1.4
169.02904	0.8
169.75958	0.5
171.04417	1.2
173.06023	0.9
175.00188	0.5
176.01062	5.9
177.01840	16.3
182.03622	2.3
183.04419	10.3
184.05052	0.8
187.04109	0.4
195.04445	1.5
199.03926	3.5
200.04726	1.3
201.05513	0.9
203.03487	0.5
205.01381	1.0
210.03194	2.1
211.03943	27.1
211.11792	0.4
212.04564	1.9
213.05417	0.6
226.02657	1.8
227.03436	7.3
228.04243	1.4
237.76662	0.4
238.02574	1.1
239.03479	17.9
240.04239	19.8
241.04855	1.2
241.12413	0.7
243.03035	0.5
255.02977	53.1
256.03293	3.5
257.11902	0.8
267.02985	5.2
269.11865	1.8
273.07962	0.5
283.02493	100.0
283.14667	0.9
284.03247	71.5
285.03931	8.8
287.12793	0.6
305.06741	0.9
317.06589	1.3
331.11887	0.7
347.11417	2.3
375.10861	0.7
393.11871	3.6
437.05121	1.2
437.11920	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42723	0.2
51.59650	0.2
51.93026	0.2
59.01245	1.8
61.98689	1.2
69.03263	0.2
69.04080	0.2
69.23663	0.2
72.99137	0.4
75.00706	0.5
80.42775	0.2
86.86952	0.6
86.87488	0.6
90.75268	0.2
99.00742	0.2
113.02283	0.5
125.02304	0.4
135.59012	0.3
137.02299	0.3
141.01862	0.3
181.08560	0.3
200.53293	0.2
208.05241	0.6
211.05916	0.3
214.06447	0.2
215.14362	0.5
222.06793	0.4
223.07623	0.3
224.04681	0.5
225.05600	0.7
225.09140	0.4
233.15450	0.4
233.67348	0.3
237.05586	0.3
238.06236	0.9
239.03557	0.3
239.07095	1.0
241.08553	0.4
241.12312	0.3
245.15387	0.3
250.06445	0.3
252.04233	0.4
253.05096	0.4
253.08717	1.0
266.02377	0.3
266.05832	1.1
267.06668	0.8
268.07462	0.3
269.08197	24.7
270.08438	0.8
271.17038	1.1
280.03723	1.0
281.04666	0.9
281.08209	3.2
282.08530	0.4
284.10568	2.1
289.18121	0.6
294.05487	0.6
295.05936	0.4
296.06781	1.1
297.07681	27.0
298.07999	1.7
301.10962	0.3
311.09335	0.4
312.10052	4.7
315.16019	0.4
325.07184	20.7
326.07520	1.0
327.21826	0.5
333.17026	1.2
340.09525	83.1
341.09879	4.3
355.11893	100.0
356.12219	6.2
356.16562	0.5
359.14923	1.3
377.16171	2.4
401.25455	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.4
81.03308	0.7
91.01752	0.4
108.02029	2.6
108.99841	1.0
109.02812	66.3
109.06123	0.7
110.03156	1.0
142.56468	0.2
151.00281	0.3
152.96922	1.2
153.01822	100.0
153.07320	0.9
153.83293	0.2
154.02156	2.1
230.18695	0.4
230.20831	0.2
246.91965	0.2
259.93713	0.2
384.76245	0.2
401.15845	0.4
401.25531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44178	0.2
51.97782	0.4
59.01247	1.5
63.98431	0.2
64.80394	0.2
71.66927	0.2
72.99158	0.3
74.64970	0.2
76.89901	0.2
81.42191	0.2
95.04857	0.8
135.04375	0.7
140.21619	0.3
146.03648	0.6
148.05150	0.3
149.05994	0.3
153.01680	0.3
160.05203	2.5
162.06870	0.3
174.03159	1.5
179.93530	0.2
187.07648	0.3
187.11203	1.5
188.04709	13.7
188.08325	0.6
189.05153	0.4
201.05504	0.9
203.10706	7.1
215.07132	1.3
216.07823	1.0
220.03709	0.7
221.11852	0.3
231.10237	100.0
232.10574	4.1
296.61700	0.3
306.14383	0.3
315.15887	0.4
337.72522	0.3
393.15182	0.4
419.13968	0.4
425.06277	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84201	1.2
59.01242	33.3
72.99165	3.9
76.05058	1.5
79.81965	1.4
93.21652	1.3
103.69951	1.9
109.02863	2.5
111.04373	1.6
117.11668	1.5
123.04398	4.7
125.02341	3.9
137.02292	2.0
147.08072	6.3
151.00206	1.8
153.01822	2.6
176.04774	2.8
177.12756	1.8
180.17340	1.7
181.07361	1.6
203.14368	2.0
205.12474	2.0
231.14088	1.8
231.17560	3.3
233.11758	9.9
239.18796	1.7
241.15862	2.6
243.17566	1.9
259.17117	15.3
260.17532	1.6
263.16544	2.5
269.69131	1.7
271.17078	2.3
279.80087	1.8
286.08798	1.9
287.16541	30.2
301.10672	3.0
303.16028	100.0
304.16373	7.0
305.17493	3.1
315.16058	8.7
321.17084	12.0
331.15634	11.5
349.16574	41.3
350.16968	4.1
359.15051	9.5
377.15958	11.4
408.22531	1.8
423.49393	2.2
437.16257	1.9
457.70081	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	437.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76430	0.2
53.29693	0.2
57.03316	0.5
59.01239	3.5
59.07568	0.2
60.99160	0.5
61.98680	0.7
64.64057	0.3
65.03827	0.3
67.01747	3.7
69.03308	0.8
71.01237	2.8
71.04871	0.9
71.85733	0.2
72.99149	0.2
78.86847	0.2
81.03310	0.9
82.93052	0.2
83.04866	1.1
85.02808	0.5
87.00707	0.2
89.02293	0.4
91.73285	0.3
93.01014	0.4
93.03315	28.1
93.05885	0.3
94.03654	0.2
97.02811	0.2
99.00710	0.2
101.02359	0.2
108.08566	0.2
109.02827	0.7
111.00748	1.0
111.04379	4.5
113.02299	0.5
115.03882	0.2
121.02843	0.3
127.03882	0.3
129.01883	0.2
137.02316	5.1
137.03371	0.3
142.55275	0.2
147.08037	2.4
155.03387	5.1
160.56793	0.2
161.69867	0.2
172.98642	1.2
173.04460	100.0
174.04807	1.1
174.83206	0.2
191.07076	2.2
197.98808	0.2
236.43973	0.2
263.12894	19.0
264.13132	0.4
377.16779	0.2
419.24744	0.2
437.18210	9.7
437.24109	0.5
438.18887	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30380	11.2
59.01232	38.0
61.98695	15.9
71.01251	12.8
71.61980	12.7
119.04911	18.2
121.02878	14.1
125.94904	14.7
135.04381	33.1
139.03883	17.3
162.02654	24.8
191.75056	14.8
195.30801	15.8
200.82491	16.4
203.14249	18.6
203.47406	13.8
246.54497	13.7
263.12976	15.0
285.22156	19.1
290.98422	16.0
377.23416	87.8
436.27945	37.8
437.15616	23.2
437.28851	100.0
459.52139	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	437.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	2.9
61.98693	100.0
61.99992	1.8
63.17625	1.0
64.54585	0.8
104.79250	1.0
108.71884	1.1
130.40604	0.9
136.50760	1.1
180.23303	1.1
180.86353	1.0
184.89888	1.1
229.40073	1.0
242.78072	1.1
352.02658	1.2
377.25537	1.4
437.25534	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	437.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61491	0.5
57.61737	0.8
59.01246	1.2
60.46298	0.5
61.97307	1.5
61.98693	100.0
61.99892	1.5
62.09704	0.4
66.76215	0.5
91.73347	1.1
99.44125	0.5
105.78998	0.5
136.86105	0.7
155.76097	0.6
231.55122	0.5
376.25235	1.4
377.25424	1.0
437.15692	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.4
59.01241	100.0
59.02485	1.7
60.01577	0.6
61.99510	0.5
67.01752	2.0
71.01237	9.6
72.99165	1.3
73.02798	0.5
78.95760	1.3
83.01233	2.5
85.02805	27.8
85.04971	0.6
87.00729	33.5
87.02930	0.5
89.51089	0.5
111.00735	1.0
112.98669	1.8
113.02299	0.9
115.00232	28.3
116.00587	0.7
129.01820	5.7
147.44899	0.6
152.99498	1.3
154.99904	0.8
157.01320	34.9
158.01637	0.6
175.02391	13.8
202.15793	1.6
235.98804	0.5
261.22440	0.7
279.23294	69.5
280.23541	3.8
317.25000	1.1
339.20074	0.7
361.23911	0.8
394.13458	0.6
437.25464	36.6
438.26004	2.4
446.72058	0.6
459.11569	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86715	1.6
59.01242	100.0
59.02458	1.9
68.02059	1.8
78.95757	4.2
81.21109	1.8
83.47815	1.7
96.95807	2.8
99.37459	2.0
123.63385	1.9
141.01408	1.9
142.31731	2.0
153.99771	2.5
183.01080	5.8
187.43259	2.1
222.44469	2.2
254.72177	2.2
269.24829	4.9
272.67276	1.9
293.10312	2.2
305.45050	2.4
324.58813	2.3
339.20300	9.3
368.64908	2.5
393.14777	2.7
437.13824	4.0
450.16730	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	437.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00029	1.8
59.01242	100.0
60.01581	0.4
63.57500	0.5
64.04514	0.3
78.95757	3.0
88.81870	0.3
96.95903	0.9
105.48173	0.4
114.53338	0.4
118.65847	0.3
142.72882	0.4
152.99480	2.3
153.99860	1.1
154.99899	0.9
183.01216	1.1
309.33920	0.4
339.20032	2.4
342.74051	0.4
399.38126	0.4
437.25897	1.2
437.32492	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81465	0.2
56.92703	0.2
59.01223	0.3
61.97326	1.5
61.98694	100.0
61.99880	1.5
62.98412	0.2
69.03316	0.2
70.62299	0.2
70.67654	0.2
72.31569	0.2
72.92223	0.2
72.99170	0.6
80.26444	0.2
92.40502	0.2
96.95885	0.3
101.02328	0.3
108.02048	0.2
109.02815	0.4
111.90800	0.2
113.02344	0.7
122.03617	1.0
123.03951	0.7
124.04183	0.3
125.02332	1.3
129.18275	0.2
137.02289	0.4
146.03612	0.7
147.04025	0.7
153.01823	0.3
164.04710	0.6
165.05104	0.4
176.04616	0.2
177.01874	0.5
179.07056	1.7
180.04192	0.4
180.07362	2.0
181.04729	0.2
181.07558	1.1
182.04883	0.3
182.07935	0.4
191.07053	0.4
192.07460	0.3
193.07703	0.5
195.06593	0.6
196.06943	0.7
197.07130	0.6
207.06656	0.3
329.13321	0.3
341.63773	0.2
376.14932	0.5
377.15198	1.6
378.15466	2.2
383.13675	0.9
439.12796	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51462	0.4
56.03654	0.5
57.61842	0.7
58.97969	0.5
59.01244	23.9
61.97330	1.3
61.98694	100.0
61.99902	1.7
70.26192	0.5
71.01249	2.0
72.48637	0.6
73.02792	0.7
85.02807	1.2
93.03324	0.8
96.95894	0.6
97.02851	0.6
99.00743	0.7
101.02325	2.1
105.87450	0.5
113.02341	1.4
134.85385	0.7
165.09175	1.3
166.09476	1.1
173.04514	1.2
180.02655	0.7
181.58168	0.6
219.13960	0.7
259.53156	0.6
263.12955	1.4
264.13260	1.4
265.07407	0.8
265.14462	1.0
289.16742	2.7
420.24753	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62315	0.4
59.01239	0.4
60.82687	0.5
61.98682	0.5
72.99153	0.5
73.02799	0.4
78.95760	4.2
97.02777	0.6
103.20145	0.4
104.60455	0.4
108.48038	0.4
113.02312	0.9
125.02349	2.0
140.01059	1.8
152.99480	0.6
196.03763	1.0
214.04779	2.4
241.21709	100.0
241.31711	1.0
242.22032	3.8
383.13519	2.9
438.26294	9.3
444.06766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64159	0.4
56.01344	1.1
56.01575	0.5
61.51136	0.4
71.01225	0.6
79.95604	0.9
80.96376	1.0
83.01221	0.4
85.02795	0.7
91.01717	0.4
96.95870	44.4
96.98325	0.7
101.02312	1.0
105.81066	0.4
107.01238	0.9
108.02029	3.1
109.02814	76.3
109.05726	1.1
110.03159	0.9
112.61771	0.4
121.78256	0.5
125.02299	0.9
135.00755	0.8
143.58508	0.5
152.01062	4.2
153.01823	92.8
154.02170	1.3
161.85609	0.6
178.99763	4.6
196.00055	2.0
197.00864	9.8
241.00215	37.8
242.00407	0.7
255.05136	0.6
291.43134	0.5
293.21744	0.5
315.07254	4.8
359.06235	100.0
360.06601	4.4
383.13608	1.0
439.01834	23.9
440.02045	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48043	0.4
57.99015	0.4
59.01233	2.1
62.32277	0.4
69.03316	0.4
71.01237	2.4
72.99168	1.3
73.02784	0.6
79.51957	0.4
79.95597	3.7
80.96371	1.6
83.01264	0.6
85.02795	1.3
86.82429	0.4
87.00710	1.4
88.43256	0.4
88.98655	0.7
89.02314	2.2
93.03342	0.5
96.93438	1.1
96.95867	100.0
96.98637	1.2
97.02809	0.7
98.95431	0.6
101.02311	1.9
104.27170	0.4
109.02795	0.6
113.02311	1.7
115.49731	0.4
119.03358	0.6
125.02327	1.9
137.02296	1.4
138.03099	14.5
138.96930	0.6
141.01823	0.5
150.96901	0.6
152.04697	0.8
153.05457	17.8
153.06711	0.9
154.05843	0.5
163.94212	0.4
166.96426	0.8
177.01912	0.5
180.04265	0.6
195.06564	1.4
197.04454	1.1
211.39233	0.5
222.99152	0.6
241.00217	36.5
273.04056	0.5
345.07080	1.6
353.29797	0.5
359.09961	1.3
383.13443	1.0
418.73141	0.5
439.05533	69.1
440.05890	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72057	0.4
53.88757	0.5
57.88594	0.4
59.01242	1.4
61.88472	0.5
71.01237	1.5
73.02792	0.7
77.91444	0.5
79.95594	3.0
80.96371	2.5
83.01253	0.7
85.02793	1.3
87.00742	0.7
89.02281	0.8
96.93262	1.3
96.95869	100.0
101.02316	2.0
109.02836	0.5
113.02271	1.6
137.65532	0.5
138.03101	9.7
138.97009	0.8
139.03923	5.0
150.96887	0.7
153.05473	9.6
166.96481	1.0
167.07019	0.6
172.90553	0.5
195.06544	1.0
222.99173	0.7
225.00809	0.7
241.00220	50.0
242.00499	0.9
283.08224	0.5
315.10950	3.2
317.81363	0.6
327.51663	0.6
342.91583	0.6
345.07111	1.6
395.06497	4.0
403.15820	0.7
439.05539	69.6
440.05994	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36372	0.2
59.01237	0.6
66.02527	0.2
71.01240	0.8
72.99154	0.3
73.02793	0.6
75.00735	0.3
79.95581	2.2
80.96375	2.1
83.01253	0.5
85.02824	1.2
87.00728	1.4
95.01237	0.2
96.95869	100.0
96.98454	1.3
101.02302	1.8
113.02337	0.8
123.00743	0.6
124.61195	0.2
125.02287	0.3
138.03078	0.4
138.96951	0.6
153.05472	0.5
166.96463	0.8
166.99779	0.8
178.67093	0.2
180.98050	0.4
181.23816	0.3
182.02150	1.6
197.04410	1.3
212.23100	0.2
222.99203	0.9
235.23804	0.2
241.00217	79.7
242.00607	1.8
345.07208	0.4
439.05539	29.2
440.05954	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	439.087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92254	0.2
64.95904	0.2
70.71265	0.2
78.93878	0.5
78.95761	40.8
79.95560	0.2
96.94231	1.4
96.95893	24.3
96.96819	100.0
108.74077	0.2
109.02782	0.2
121.92341	0.3
122.82054	0.2
138.02243	0.2
156.86520	0.3
176.38728	0.2
204.23903	0.2
255.29419	0.2
354.01212	0.3
439.08664	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37321	0.4
57.03315	0.8
58.31282	0.4
58.73573	0.4
59.01242	1.1
65.00190	0.7
68.99693	0.8
71.01235	0.9
71.09763	0.4
72.99152	0.4
73.01073	0.7
73.02805	38.0
74.03140	0.5
78.95760	9.9
79.95595	0.7
81.03319	0.5
83.01244	3.9
85.02796	1.0
89.02290	0.7
93.03331	1.2
96.95864	36.6
96.96819	24.1
99.00729	5.2
107.01253	1.1
107.52290	0.5
109.02815	2.0
111.00727	0.5
111.04380	1.3
116.92730	7.5
117.01800	100.0
118.02142	1.5
118.78708	0.5
121.02773	0.5
123.00764	1.2
124.01563	1.4
125.02328	3.3
133.04944	0.6
137.02278	0.7
139.03912	2.6
149.02316	0.5
151.00244	7.6
153.01823	72.8
154.02193	2.1
155.03395	1.4
165.01855	0.6
167.03401	13.6
167.04790	1.1
168.03754	0.5
173.04485	1.6
177.01875	0.7
187.06087	1.7
191.05565	1.2
265.09335	3.1
354.17264	0.5
439.09399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17789	0.9
57.03306	3.0
58.29979	1.0
59.01239	8.7
61.98691	3.4
66.82478	1.0
67.26464	1.1
69.03309	4.6
71.01244	1.8
71.04875	1.7
72.99167	50.3
73.02794	9.5
75.00738	2.5
78.95782	1.9
83.06877	1.1
85.02815	9.8
87.00739	5.3
87.04375	5.5
87.51971	1.2
91.72717	1.3
93.03330	2.5
96.95866	3.0
96.96820	1.9
97.02814	8.4
99.04379	4.2
99.07999	2.0
101.02290	3.1
103.09095	1.1
106.04127	2.8
107.04903	2.1
107.38797	1.3
108.02058	1.4
109.02817	2.7
111.04368	2.7
113.02312	40.0
115.03884	1.7
121.02847	3.1
121.06433	1.6
121.10137	1.7
122.72216	1.5
124.01540	1.3
125.02304	17.2
129.09085	1.5
133.06473	2.3
134.03641	6.1
135.04449	2.3
137.05992	3.2
137.09561	2.0
139.03925	1.7
140.04620	1.8
141.01811	27.7
143.03372	17.5
144.71124	1.3
147.04314	3.1
149.05954	5.1
149.09622	4.3
153.09070	1.5
163.03893	1.6
163.11171	5.1
165.05455	3.4
167.10715	1.8
173.02271	2.1
173.04529	9.6
173.05901	2.4
174.06810	2.4
177.05516	3.6
177.09134	10.9
179.10692	5.7
184.05133	1.8
187.04024	2.5
189.09154	1.5
190.02698	2.0
191.03384	2.4
191.10716	18.6
193.04854	1.5
193.08530	1.6
195.10202	2.8
202.06323	7.4
203.10756	2.4
203.14328	1.9
207.10187	3.0
209.04507	2.8
209.11742	2.0
213.12823	4.1
215.14426	3.8
217.12286	3.3
219.10275	2.3
229.12172	2.0
231.13904	10.4
241.12335	3.1
247.09763	5.1
247.13362	2.5
248.10654	2.4
249.14937	2.8
257.11823	1.5
259.13391	17.0
263.12878	2.0
265.14432	3.4
275.13049	2.7
277.14478	9.4
279.12485	4.0
281.13925	2.3
293.13928	3.0
295.15714	1.7
297.09741	1.9
303.12396	6.3
321.13455	53.8
323.11243	3.5
337.13052	5.4
349.13058	1.5
365.12469	14.4
367.14081	6.1
377.12247	3.3
383.13510	100.0
384.14096	1.6
395.13623	3.3
411.12885	19.0
421.11441	5.8
439.12344	21.6
439.18588	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	439.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83203	1.2
65.00160	1.7
67.01749	3.4
69.03313	15.0
71.01240	4.1
72.97552	2.0
72.99165	100.0
83.04879	2.0
84.02038	3.2
93.03309	2.8
95.04895	2.8
99.08003	6.7
107.04887	5.0
108.02061	1.9
109.02808	3.3
113.02291	3.5
119.04916	2.1
121.02847	8.7
123.04391	14.5
125.02310	4.4
125.09624	4.3
133.06433	1.9
135.04395	30.1
136.01549	2.5
137.05971	9.8
141.09099	6.2
141.76978	1.6
147.04408	16.7
149.02344	2.9
149.05960	4.3
149.09621	2.9
150.03168	2.1
151.03867	16.8
151.07512	4.3
151.37354	1.5
153.09116	7.0
159.04384	3.0
159.59418	2.0
160.05199	3.1
161.02338	4.8
161.05995	2.9
163.03885	8.9
164.04747	2.9
165.05447	8.1
165.09082	2.0
167.07054	7.3
169.04996	3.5
169.08566	14.2
171.04359	2.7
172.05225	1.7
173.05997	4.5
174.06779	3.6
175.03941	1.8
176.04776	1.8
177.05487	3.7
179.03400	29.3
180.03784	2.2
181.08533	1.6
184.05165	3.1
185.06047	3.7
186.06778	9.4
187.03949	5.5
187.07466	1.9
188.04701	2.7
189.05496	4.4
193.05008	2.2
197.08130	6.0
197.13441	2.3
201.05573	4.7
201.09134	5.8
202.06270	16.7
203.03403	2.3
203.14246	2.1
205.04980	4.8
205.08498	2.2
213.05576	3.1
213.12848	3.7
214.06259	12.6
214.09901	1.8
215.03351	1.7
215.14375	4.8
217.12297	11.0
227.10847	1.9
227.14351	2.2
229.05145	2.3
229.12312	2.7
230.05751	12.3
231.13898	8.9
232.07521	2.0
233.15410	2.2
241.12372	8.1
243.13904	12.9
246.05345	5.0
254.09505	3.1
259.13400	29.7
260.13684	2.3
261.15012	5.4
269.11853	12.1
271.13412	21.1
277.14435	11.9
287.12906	66.4
288.13147	4.3
289.14468	9.0
303.12234	3.4
305.13977	32.0
313.10837	6.2
315.12418	7.3
321.13455	13.5
331.11835	7.1
333.13449	16.2
349.12952	76.9
350.13339	5.9
361.08200	1.8
377.12515	14.7
383.13562	6.3
393.12079	2.9
395.13464	51.6
396.13995	5.6
414.00067	1.9
421.11545	1.9
439.12460	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	439.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64086	1.5
51.24185	0.5
57.03303	0.9
69.03310	9.4
69.48156	0.6
71.01259	0.6
72.99166	27.3
73.02794	2.4
75.00733	0.9
75.96348	0.6
83.04856	0.8
85.02812	2.8
92.90144	0.7
96.67052	0.7
97.02808	15.8
99.04341	0.9
107.90915	0.7
109.02776	1.2
113.02308	26.8
113.03107	1.3
124.98341	0.9
125.02312	64.9
125.05868	1.0
139.03868	0.9
141.01814	12.1
143.03372	2.9
149.09622	2.0
151.11183	0.9
161.05867	0.7
161.47191	0.7
164.04619	0.7
173.05981	0.8
174.06757	0.8
177.09120	4.7
179.10686	1.5
187.04044	0.8
188.04730	1.4
188.15295	0.7
191.03415	1.0
191.10724	3.2
193.08643	0.8
195.10205	2.6
201.05388	1.1
202.06363	2.0
203.10771	1.2
207.10268	0.9
213.12807	1.1
215.14383	1.3
219.10197	1.0
220.17984	0.8
230.09500	1.4
231.13840	3.1
241.12318	4.3
247.09790	1.9
248.10503	2.0
259.13455	9.0
275.12854	1.1
277.14453	6.0
281.14035	1.5
285.11249	0.7
297.09915	0.8
303.12344	5.1
321.13406	8.3
337.12659	0.9
365.12491	8.1
383.13510	100.0
384.13583	3.7
395.13376	1.0
411.13080	4.8
414.44910	0.8
439.12479	12.3
440.12686	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1246
Annotation	Ginkgolide C
Peak:m/z	Relative Intensity
69.03310	15.1
72.99166	91.4
80.29537	3.4
86.18944	2.9
86.41769	3.1
93.03352	2.7
96.95856	11.2
96.98116	3.2
97.02801	8.3
99.08041	5.2
108.02016	4.0
109.02804	7.9
111.04397	5.9
112.01550	4.8
113.02303	28.4
121.02772	7.9
123.04404	12.8
125.02315	47.6
135.04390	38.0
137.05974	6.9
141.01810	8.9
141.09135	3.8
147.04411	12.5
149.02318	4.7
149.05968	6.4
149.09622	4.6
151.03894	8.7
151.07544	4.1
153.01846	4.8
159.04408	8.0
160.05287	3.9
161.02402	8.9
163.03914	12.8
165.05475	12.3
169.08586	7.1
171.04466	4.7
172.05177	4.2
173.02321	4.6
173.05995	10.4
174.06766	6.5
175.03954	5.8
175.68968	3.4
177.05573	6.4
177.09209	6.0
179.03476	16.5
184.05295	4.7
185.05977	8.0
186.06798	8.2
187.03932	11.4
188.04762	7.9
189.09131	6.0
191.03506	5.4
195.10233	4.4
197.13266	6.6
201.05569	10.1
201.09207	5.0
202.06339	14.6
203.14357	4.8
204.18628	3.4
205.04877	5.1
207.10182	5.3
212.04840	6.8
213.12749	6.0
214.06300	8.2
217.12305	8.3
220.83304	3.6
229.12457	4.0
230.05840	14.6
231.13817	16.9
233.04546	3.9
233.15646	4.1
241.12340	12.9
243.13914	11.2
254.09479	4.8
257.11945	7.5
259.13431	39.9
261.15033	7.4
269.11804	18.4
271.13492	6.9
275.12949	5.6
277.14539	12.8
285.11237	4.9
287.12891	90.3
303.12308	6.1
305.14047	32.6
309.62323	3.8
313.10843	9.5
315.12332	6.0
321.13507	20.1
328.03906	3.6
331.11935	48.2
333.13452	5.9
349.12933	100.0
367.14169	5.4
375.10904	7.7
377.12396	39.5
383.13449	60.9
384.13763	4.9
393.11932	6.8
395.13431	35.8
411.12653	4.9
421.11435	90.4
422.11743	6.3
439.12692	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	439.125
Annotation	Ginkgolide C
Peak:m/z	Relative Intensity
55.01726	0.9
57.03325	4.3
57.03536	1.1
59.01237	6.4
61.98672	2.5
69.03302	3.9
71.01220	3.5
71.04867	1.6
72.60664	0.7
72.99165	42.1
73.02773	1.1
78.95749	1.6
79.76205	0.9
84.45980	0.8
85.02806	7.7
87.00706	1.4
89.02235	1.2
90.01857	0.8
93.03298	2.5
96.95844	3.7
96.96816	2.1
97.02792	4.3
100.98641	1.1
101.02298	1.6
111.00689	1.1
111.04343	1.3
113.02307	100.0
113.05606	1.3
114.02629	1.8
115.00228	0.8
115.44231	0.8
120.99516	6.9
121.02811	1.8
123.04385	0.8
123.08021	2.8
124.01456	0.9
125.01457	1.0
125.02319	16.9
130.08589	0.8
133.04915	1.4
137.02303	1.1
137.05981	1.1
139.03911	1.0
141.00766	1.5
141.01811	16.8
147.04433	2.3
147.08025	1.1
149.02304	1.9
149.05984	1.1
150.03055	2.0
151.03868	1.4
155.03435	1.1
157.06281	0.9
161.17648	0.9
165.05421	3.2
165.09097	1.0
173.04478	5.9
173.05769	1.0
175.02367	2.6
175.03856	1.3
175.07513	2.8
179.10666	1.7
191.17719	0.9
195.10156	1.5
207.10091	1.2
211.11282	1.0
213.12883	1.0
223.09825	1.6
229.12378	1.5
230.05467	1.0
233.11635	1.2
247.13342	1.1
259.13376	1.9
261.11136	1.0
265.14447	3.4
269.10376	1.1
275.12994	1.1
277.14362	1.6
287.12683	1.2
291.12308	2.4
293.13824	3.3
303.12335	1.9
309.13626	1.3
321.13547	2.5
365.12439	7.8
367.13919	1.2
383.13498	39.2
395.13519	2.1
411.12988	71.0
412.13266	3.6
421.11301	3.2
439.12363	50.0
440.12869	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	439.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60528	1.6
57.03310	5.6
57.15051	1.5
59.01231	7.6
62.70339	1.5
69.03312	13.1
71.01244	11.3
71.04861	2.3
72.99163	47.7
73.02801	5.8
76.84218	1.8
81.03328	2.4
85.02796	20.2
89.02315	6.0
93.03304	3.6
95.04919	3.1
96.95872	8.5
97.02810	17.1
101.02322	5.1
108.02046	3.8
109.02813	10.7
111.04381	3.6
113.02310	78.3
121.02809	4.1
121.10004	2.3
123.04350	5.2
125.02312	100.0
126.02711	2.1
135.04425	3.4
137.02319	9.2
139.69814	2.2
141.01830	7.6
143.03409	3.6
143.04819	2.3
147.04396	4.3
149.02348	3.0
149.05965	4.1
149.09671	2.9
151.11176	3.4
153.01897	7.0
165.01859	3.6
165.05463	13.2
166.02689	4.4
173.04529	3.7
175.03894	2.6
177.01863	5.6
177.09142	4.8
179.10660	4.4
189.01878	2.7
202.68056	2.2
203.10732	2.9
207.10167	2.8
215.14357	11.8
216.01038	2.2
217.05058	2.3
217.12268	10.7
219.02899	2.3
221.11838	3.0
231.10271	3.0
231.13863	5.1
232.10997	4.1
233.15642	2.5
241.05066	3.2
243.13783	5.0
259.13412	8.4
261.15002	4.4
265.14505	7.7
269.04526	5.1
277.14371	6.7
285.03891	4.1
287.12985	4.2
295.06342	2.8
301.07080	3.1
303.12497	3.0
305.14044	4.4
321.13382	7.1
349.13025	7.0
364.88828	2.8
365.12494	3.1
367.14023	44.2
368.14227	4.1
383.13458	42.6
395.13501	11.7
411.12823	9.6
439.12296	60.6
439.21356	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	439.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.9
57.03301	2.1
59.01229	1.5
61.98692	5.5
64.28127	0.6
67.01746	0.7
69.03311	3.8
71.01219	1.8
71.04861	1.8
72.99165	39.7
73.00649	0.6
73.02801	2.9
73.99503	0.6
75.00741	1.1
80.31651	0.5
83.04880	0.8
85.02793	4.3
87.04359	0.8
89.02280	0.7
91.73320	1.1
93.03329	0.6
95.04879	3.0
95.36845	0.5
96.95839	1.1
97.02807	4.0
99.04384	1.9
101.02317	1.3
103.95222	0.6
104.65782	0.6
109.02821	1.2
111.00747	1.3
112.01503	1.0
113.02309	17.1
119.04938	0.6
121.02825	1.1
121.06470	0.8
121.10169	0.7
123.04385	1.3
123.08010	2.4
124.01509	1.1
125.02314	25.8
125.03255	1.3
126.02550	0.7
131.04880	1.0
133.06453	1.6
135.04404	0.9
137.02309	0.9
137.05916	0.7
138.03082	0.9
139.00241	2.0
139.03877	0.7
141.01836	4.7
143.03363	1.1
147.04405	1.3
147.11656	0.8
149.02322	2.2
149.05975	3.4
149.09561	1.6
151.03864	0.8
151.07616	0.9
151.11157	1.2
158.03613	1.1
159.04414	6.7
161.06015	0.8
161.13220	0.7
163.11174	1.0
164.92058	0.5
165.12717	2.8
173.04529	0.9
173.05997	0.8
175.03923	0.7
175.11177	0.9
177.05524	4.0
177.09154	1.7
177.12761	5.1
179.06865	0.8
179.10681	2.4
179.14363	4.2
185.02408	1.0
187.03990	1.0
187.07767	0.7
188.08278	0.8
189.03993	3.3
189.05492	0.9
189.12828	3.0
190.04268	0.7
191.07014	1.4
191.10698	1.4
193.04990	2.1
193.08612	1.1
193.12350	1.2
195.06628	1.1
202.06271	1.9
203.03433	2.8
203.14415	0.8
205.12268	1.7
207.13799	2.2
207.17470	4.2
211.06149	1.8
213.05482	0.8
214.06302	1.4
215.10831	0.6
215.14375	1.1
216.11427	6.5
217.12308	0.8
217.15944	5.6
227.14404	2.2
231.13937	1.7
233.11797	5.5
233.15369	3.6
235.16994	7.6
241.12306	1.3
245.15456	11.8
246.57460	1.0
247.13354	0.7
248.10336	0.7
249.14951	0.8
259.13403	2.4
260.10599	5.8
261.11276	0.7
261.14981	2.5
263.16547	2.8
271.13416	4.5
273.14981	1.5
277.14374	3.4
279.12924	0.9
279.15964	4.5
289.14438	6.6
291.16025	1.2
303.12494	1.5
305.13898	2.7
307.15524	6.5
317.13895	1.5
321.13431	1.7
323.15024	1.0
333.13437	11.5
335.15149	0.8
351.14508	100.0
352.14868	6.6
363.14432	3.6
365.12460	2.1
379.13916	4.7
383.13455	26.4
384.13763	2.1
407.13525	17.0
408.13663	1.5
411.16965	2.9
439.11343	1.0
439.16354	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58566	3.5
59.01242	42.1
59.93271	3.5
61.98695	29.1
69.03317	5.4
71.01254	4.4
71.04858	4.1
72.86083	3.3
72.99158	20.9
73.02812	3.8
77.08970	3.5
78.95798	3.8
83.04868	5.0
85.02857	3.7
85.60208	3.5
89.21284	3.5
91.72762	9.0
93.03298	9.5
96.95860	7.3
96.96856	5.8
97.02816	9.9
97.46949	3.8
99.04381	5.3
101.05956	3.9
107.04894	5.2
111.04337	5.3
112.02474	3.7
115.00240	6.8
125.02313	10.5
125.09478	4.0
128.92320	4.4
149.05951	6.4
163.21883	4.4
173.04504	28.5
181.12276	6.9
182.23785	4.3
209.11969	4.5
213.26170	4.7
215.14389	5.8
217.15918	34.2
219.17604	5.1
219.81625	5.3
245.15472	47.9
263.16589	12.1
289.14493	12.6
333.13364	40.1
351.14505	100.0
383.13120	5.8
384.12204	5.9
395.27856	6.0
432.37057	6.0
439.27405	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	439.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14283	0.2
58.34374	0.2
59.01228	0.4
59.42724	0.2
69.03320	0.3
69.40135	0.2
72.99168	1.1
77.03823	2.2
89.03821	2.1
95.04875	5.7
97.02832	0.4
104.37363	0.2
105.03316	19.2
105.06171	0.4
106.03665	0.3
106.27959	0.2
113.02327	1.1
117.03334	0.9
123.04382	2.3
125.02293	2.5
132.02040	0.9
133.02823	100.0
133.06781	1.2
134.03297	1.5
134.03481	1.5
135.04390	2.0
141.01878	0.4
151.03879	1.2
177.01840	41.0
178.02165	0.6
192.04218	0.3
244.79608	0.2
259.13367	0.4
265.66272	0.2
283.36292	0.3
321.13510	0.4
383.13525	3.1
439.17636	5.6
440.18216	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11337	0.5
55.92541	0.4
56.78751	0.4
59.01226	0.9
61.98699	2.6
62.61739	0.4
66.12971	0.4
69.03300	1.4
72.99158	4.3
75.69653	0.5
76.58724	0.4
79.01749	0.4
82.05360	0.5
84.66982	0.9
84.67470	0.9
85.02778	0.4
89.00155	0.6
91.73377	1.1
92.06694	0.5
95.01221	0.4
96.95871	0.8
97.02799	1.6
104.23339	0.4
105.03285	0.7
106.98354	0.9
107.01250	57.3
107.04493	0.8
109.02820	5.2
113.02302	3.9
121.02813	3.4
123.00694	0.7
124.01537	18.9
125.02321	10.6
127.07426	0.4
133.02826	1.8
135.04375	1.1
137.02318	1.0
137.05911	0.6
138.03093	0.8
139.03896	18.7
140.01033	0.8
141.01797	1.9
147.04398	0.8
150.03107	0.8
151.03894	0.7
153.01828	6.7
159.08069	0.5
173.06029	0.6
174.30267	0.5
175.03932	0.6
176.39861	0.5
177.01901	0.6
177.09087	0.7
179.03368	1.2
179.07068	0.5
180.04260	0.6
181.06480	2.0
182.07216	0.6
187.03970	0.9
188.04729	2.9
190.02538	0.6
191.10651	0.6
192.95776	0.6
197.05978	2.2
198.06752	0.5
199.03854	0.7
200.04814	3.0
201.05508	1.2
209.06122	0.7
211.03938	1.9
212.04779	0.9
213.05530	0.9
225.05583	4.4
225.12715	0.5
226.06317	23.0
227.06767	0.7
231.13864	0.6
239.06995	0.9
241.12280	1.6
254.09464	5.6
259.13394	1.2
269.11847	92.3
270.12173	3.8
287.12973	0.6
299.09036	0.5
299.12845	1.3
308.30603	0.6
309.07709	1.5
310.08304	0.5
321.13580	1.2
321.58112	0.5
322.08597	0.6
333.07697	0.6
350.08234	0.7
365.12808	0.5
376.13257	1.0
376.60593	0.6
378.11237	0.7
383.13541	11.7
384.13812	1.1
392.12558	0.7
393.13470	5.6
394.14117	2.3
395.14987	0.8
409.16608	43.8
410.17010	3.0
411.13354	0.5
417.32736	0.8
424.15643	0.5
431.25177	0.5
439.17654	100.0
440.18054	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	439.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	0.3
59.01227	1.0
61.83924	0.3
61.98692	2.5
67.01759	0.4
69.03301	1.4
70.42868	0.3
72.99159	3.8
93.03327	1.8
97.02815	2.0
109.02808	2.8
113.02314	3.4
121.02819	1.7
122.03632	0.5
123.00720	0.4
124.01524	1.5
125.02313	8.7
133.02837	0.7
135.04382	1.7
136.01457	0.5
137.02319	15.3
138.03052	1.0
139.03891	0.9
141.01801	1.2
147.00768	0.6
147.04338	0.6
148.01549	0.4
149.02345	2.3
150.03075	1.8
151.03871	0.6
152.01009	0.4
158.03738	0.4
159.04378	0.5
161.02327	1.4
162.03064	0.4
163.03914	1.1
164.04716	0.6
164.96347	1.2
165.01831	100.0
165.05444	2.0
166.00748	0.3
166.02585	4.6
167.03416	1.6
172.05159	0.7
173.02255	0.4
173.05920	0.7
174.06635	0.6
174.67050	0.4
175.07582	0.7
178.02632	0.4
179.03427	1.6
179.97928	0.9
180.04193	88.4
180.43373	0.3
181.04703	1.5
185.06076	0.4
188.04840	0.5
191.03485	0.4
191.10741	0.3
192.95772	0.4
199.03914	0.6
202.06271	0.5
202.24345	0.3
213.05537	1.3
214.06354	1.4
226.06285	0.3
231.13800	0.5
237.88391	0.3
241.12326	0.6
242.09532	0.8
244.10997	0.5
245.11844	0.6
253.08760	0.4
257.11774	3.1
259.13400	1.8
263.07181	1.2
269.12039	0.5
279.06650	0.5
281.08105	0.9
291.06729	0.9
292.07364	0.4
293.08231	0.5
295.06195	0.8
295.09460	0.5
308.06833	0.4
309.07663	2.8
310.08295	1.6
321.07776	0.5
321.13632	0.6
325.07483	0.5
325.10818	0.5
365.12790	0.5
376.13364	0.4
383.13516	9.2
393.13129	0.5
394.14276	1.3
406.14233	0.8
407.14975	0.9
409.16626	3.9
411.13132	0.5
421.16528	1.1
424.15314	0.5
434.12070	0.4
439.17679	23.0
440.17960	1.2
441.35022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1763
Annotation	Ugonin R
Peak:m/z	Relative Intensity
56.83779	0.5
59.01245	0.6
63.33008	0.5
69.03321	1.5
71.18024	0.6
72.99167	3.6
91.73344	1.0
97.02809	1.8
106.59444	0.7
108.01989	0.6
109.02797	0.7
113.02318	3.9
123.04410	4.3
124.01527	7.7
125.02332	7.8
132.02029	2.1
134.98091	0.7
137.02342	1.3
138.03131	0.7
139.03893	5.7
141.01791	1.1
143.04921	0.6
147.04437	1.0
149.02292	0.7
149.05934	0.8
150.03125	0.8
159.04378	1.0
160.01543	3.2
161.02264	1.3
162.03020	1.0
163.03879	0.6
163.05721	0.6
165.01826	0.7
172.05219	2.1
173.02333	1.2
177.09155	0.8
180.04268	0.7
186.06822	1.4
187.03912	6.9
188.04686	0.7
199.03944	0.7
201.05502	0.9
211.07655	2.0
221.06319	0.6
225.05461	0.7
225.09163	1.9
226.06419	1.0
229.08609	0.7
239.07158	2.7
247.07585	1.0
249.05501	1.0
251.06842	0.8
253.08704	5.1
257.08112	0.8
257.11731	1.0
259.13452	1.2
263.07135	7.2
264.07800	1.2
265.08749	3.2
266.05969	0.7
267.06641	2.0
269.11786	6.2
270.12509	0.7
271.09683	2.9
275.07178	1.0
278.05862	1.3
279.06601	1.2
281.08215	5.0
285.11472	0.9
291.06604	6.5
292.07419	3.7
293.08121	5.8
294.05545	1.5
294.08997	0.7
295.06131	5.2
308.06921	1.0
309.07700	16.0
310.08469	24.5
311.08713	1.0
324.10168	1.4
325.10815	11.1
337.07199	1.4
337.10934	0.9
359.12680	0.8
377.13928	2.7
383.13544	9.9
384.13419	0.8
389.14151	1.0
393.13196	1.0
394.14258	15.5
395.14313	1.2
406.14026	1.3
409.16602	100.0
410.16962	5.7
421.16608	2.3
439.26242	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75756	0.5
57.16196	0.5
59.01234	0.6
67.01728	0.5
69.03300	1.1
72.99167	2.4
78.95757	0.5
89.47083	0.6
93.03313	1.6
96.11671	0.5
96.95841	0.9
97.02817	1.6
102.24168	0.5
109.02822	2.7
111.99115	0.6
113.02297	3.2
117.34995	0.6
119.48994	0.6
121.02836	1.5
123.04378	2.0
124.01523	2.8
125.02298	7.7
132.02071	1.0
137.02322	17.1
138.03110	1.8
139.03902	2.3
141.01810	1.1
145.02817	0.7
149.02328	1.5
150.03102	1.3
151.03891	0.8
159.04443	1.2
160.01584	1.0
161.02257	0.8
165.01830	100.0
166.02606	16.5
172.05367	0.8
173.05966	0.7
175.04022	0.7
178.02621	1.8
179.03394	1.7
180.04189	86.4
181.04958	10.7
187.03922	1.7
191.10786	0.8
193.04977	1.7
197.22681	0.6
201.05502	1.0
202.06277	1.0
215.07066	1.0
217.12286	1.1
241.21658	5.6
242.22029	3.9
245.11766	5.2
253.08661	1.6
257.11853	3.1
259.13483	3.0
261.68243	0.7
263.07205	1.8
265.08685	0.8
269.11786	2.4
271.09586	0.7
291.06671	2.2
293.08359	0.7
295.05988	0.8
295.09735	0.7
309.07709	3.9
310.08527	6.1
323.09317	0.9
325.10849	3.0
341.18271	0.7
379.15332	0.9
383.13495	8.8
394.14020	2.5
407.14929	2.4
409.16583	15.1
410.17087	0.8
411.18439	1.1
439.17538	21.2
440.17789	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.8
60.35197	0.7
78.95757	1.1
87.82948	0.9
94.82687	0.8
96.95844	1.2
99.04379	1.2
113.05965	1.6
117.03336	11.7
118.04098	2.8
119.04891	17.2
121.02798	5.5
123.04410	1.6
123.77725	1.0
133.02821	1.3
133.71759	1.0
141.05409	1.7
145.02832	34.1
145.03976	1.8
154.04680	1.1
162.03139	2.5
163.03891	8.9
168.30275	1.0
172.32564	1.2
249.18605	16.0
250.18779	1.2
342.85287	1.1
357.17032	1.1
359.26025	1.2
367.20969	2.3
391.68796	1.3
401.23431	1.3
403.24911	100.0
404.25348	3.0
439.15878	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.8
60.35197	0.7
78.95757	1.1
87.82948	0.9
94.82687	0.8
96.95844	1.2
99.04379	1.2
113.05965	1.6
117.03336	11.7
118.04098	2.8
119.04891	17.2
121.02798	5.5
123.04410	1.6
123.77725	1.0
133.02821	1.3
133.71759	1.0
141.05409	1.7
145.02832	34.1
145.03976	1.8
154.04680	1.1
162.03139	2.5
163.03891	8.9
168.30275	1.0
172.32564	1.2
249.18605	16.0
250.18779	1.2
342.85287	1.1
357.17032	1.1
359.26025	1.2
367.20969	2.3
391.68796	1.3
401.23431	1.3
403.24911	100.0
404.25348	3.0
439.15878	1.3
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	Unknow
Peak:m/z	Relative Intensity
50.26853	32.4
55.31379	25.6
59.01235	40.4
61.98685	48.3
94.37115	31.6
96.95884	100.0
114.61971	29.8
142.27184	30.3
309.60913	35.6
370.74014	35.6
439.26761	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	439.247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83574	13.0
59.01239	55.1
61.98695	17.7
71.01243	16.3
82.21664	17.3
82.22198	16.8
85.32715	15.1
96.95867	45.8
156.28772	16.4
163.03918	18.7
169.13194	19.1
175.02400	20.3
179.42380	18.2
235.89874	17.6
244.50856	19.0
261.18637	33.8
291.19568	17.9
326.36310	21.5
439.15424	39.0
439.26965	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55745	0.5
57.41056	0.6
58.00444	1.0
59.00974	0.8
59.01243	12.8
59.02253	0.5
59.79432	0.6
61.98717	0.5
62.08452	0.5
62.89270	0.6
64.22650	0.6
66.35765	0.6
66.57192	0.5
69.03294	0.9
71.01239	25.5
72.29491	0.5
72.99198	0.7
73.02811	5.0
75.00733	7.9
80.09541	0.6
82.91615	0.6
83.01243	1.5
85.02798	6.4
89.02312	5.0
90.65524	0.6
95.01225	1.5
96.95845	0.8
97.02831	1.4
101.02306	5.7
113.02308	18.9
113.03104	1.0
125.02316	1.0
142.52211	0.6
161.04405	2.0
172.85385	0.6
182.70711	0.6
203.41185	0.7
230.81458	0.6
259.20609	0.8
273.22253	2.9
275.20175	0.7
277.21735	100.0
278.22037	5.1
287.23801	2.9
291.13458	0.9
291.23340	9.8
301.21695	2.7
303.23370	1.7
319.22781	24.0
320.23163	0.8
331.22711	7.1
349.23834	5.2
386.02039	0.8
388.56995	0.8
439.15524	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23646	0.5
53.74930	0.5
54.26429	0.4
55.75013	0.5
57.03303	2.3
58.00474	2.9
58.00703	0.4
59.01243	29.8
60.36107	0.5
64.66553	0.4
69.03312	0.8
71.01241	24.4
71.02626	0.6
72.99161	1.5
73.02806	8.8
75.00728	3.8
75.52919	0.5
83.01234	1.4
83.04863	0.7
84.02020	0.9
85.02808	6.9
89.02292	7.1
95.01228	1.9
96.10578	0.5
96.95909	0.7
97.02797	1.0
97.06462	0.8
97.59121	0.5
97.80099	0.5
101.02299	8.0
109.06390	0.7
111.08014	0.9
113.01554	1.1
113.02308	17.0
119.03330	1.4
125.02312	1.0
125.05933	1.5
127.11149	0.7
136.34970	0.6
139.07500	2.4
139.58299	0.6
143.03360	0.8
161.04460	1.4
191.14383	1.0
203.41228	1.1
205.19495	0.9
219.13913	1.2
233.22676	0.6
255.21185	2.5
257.22739	1.0
259.20621	0.9
261.22266	1.1
263.23846	1.7
273.22232	7.2
275.20645	0.7
277.21741	100.0
278.22049	4.8
287.23846	1.2
289.21591	0.9
291.23312	35.4
292.23593	1.8
301.21780	7.5
303.23355	1.3
319.22769	16.8
320.23251	0.8
331.22842	6.8
335.26273	0.9
349.23898	2.9
373.23920	0.9
373.31451	0.6
379.24954	4.4
439.20517	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49252	0.2
55.01735	0.5
57.03299	0.6
58.00461	0.6
59.01242	8.1
69.03322	0.4
71.01237	21.7
72.01525	0.3
72.99178	0.3
73.02805	2.3
75.00729	3.6
75.18559	0.3
83.01243	0.8
85.02801	3.0
87.00723	0.3
87.35706	0.3
89.02295	4.6
91.72726	0.6
92.73351	0.3
95.01239	1.0
97.02802	0.4
99.00739	0.4
99.04344	0.4
101.02293	4.7
113.01554	0.6
113.02307	8.4
125.02298	0.8
143.03426	0.5
155.60487	0.3
161.04453	0.8
233.22539	0.5
259.20673	0.4
264.26956	0.4
270.29391	0.3
272.17310	0.3
273.22293	1.0
275.20255	0.4
277.21729	100.0
277.33646	0.9
278.22061	4.5
287.23798	0.9
289.21683	0.3
291.13184	0.6
291.23248	3.0
301.21759	3.1
303.23242	0.7
313.21683	0.4
319.22784	13.3
320.23340	0.7
331.22794	2.7
341.90250	0.3
349.23929	2.1
373.23959	0.7
393.76294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82327	0.4
51.86057	0.4
52.18690	0.8
52.18921	0.4
59.01243	7.5
59.02494	0.3
71.01229	2.5
73.02808	2.1
81.03287	0.6
83.01228	1.4
83.04852	0.3
85.02809	4.0
86.71091	0.3
87.00716	0.4
89.02307	2.1
96.95837	0.3
97.02789	0.8
99.04404	0.4
101.02301	6.5
113.02315	0.8
125.87130	0.7
126.01482	0.3
126.87971	0.7
128.87677	0.7
130.99831	0.3
131.03372	3.8
143.03436	0.4
160.84106	22.7
161.04448	18.6
161.84138	2.3
162.83807	40.3
203.41167	0.3
226.06697	0.4
233.22646	0.3
259.20767	0.5
277.21732	100.0
277.34302	1.0
278.22058	5.7
291.31638	0.3
404.09164	0.7
405.08795	0.7
439.06219	10.2
440.05618	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2701
Annotation	Klyxumine B
Peak:m/z	Relative Intensity
50.22463	0.2
57.03322	0.2
58.00447	0.7
59.01245	1.2
59.01488	0.2
63.78107	0.2
71.01250	0.3
71.04511	0.3
71.04879	5.2
73.02806	2.9
81.03298	0.2
83.04871	2.4
85.02812	0.3
88.47334	0.3
91.72768	0.4
93.03304	0.5
93.33170	0.2
95.04863	0.9
96.95886	0.3
97.06460	0.4
99.04356	0.2
99.08015	0.4
101.05924	1.7
106.04083	0.6
107.04882	0.2
107.90779	0.2
109.06448	0.5
111.07986	0.3
113.05936	0.4
115.00256	0.4
115.14665	0.2
119.04895	0.6
120.15301	0.2
121.02830	0.6
125.02361	0.2
130.06189	0.2
131.07036	1.4
139.92993	0.3
149.13258	0.8
163.11179	3.2
173.04491	0.2
189.09160	0.5
191.10699	13.5
192.11037	0.4
205.12292	0.9
217.12204	0.4
243.17702	0.2
245.19092	0.4
261.18619	2.2
263.20166	5.4
271.17029	5.0
273.18634	0.9
275.20215	1.5
283.17200	0.6
291.19669	20.7
292.19986	1.0
303.90280	0.3
311.23944	0.3
319.19159	0.6
320.19745	0.3
321.20697	5.3
323.23843	0.6
329.24823	0.8
335.22397	1.4
345.24396	0.6
347.22311	0.6
355.22891	0.6
357.24496	0.7
359.25833	0.3
361.23761	0.4
363.25455	0.9
375.25436	0.6
377.26950	1.5
391.25122	0.5
393.26492	10.5
394.27023	0.5
395.28058	14.6
396.28268	1.0
439.27023	100.0
440.27393	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	439.2855
Annotation	Grevirobstol B
Peak:m/z	Relative Intensity
51.79327	1.0
62.80809	1.2
65.03814	1.9
65.12470	1.3
70.70707	1.3
75.46260	1.3
81.03397	1.4
81.06369	1.5
86.60206	1.4
92.87234	1.7
93.03307	5.5
101.16205	1.4
107.04888	44.7
119.04891	5.8
121.02802	3.9
134.53403	1.6
150.16878	1.5
161.05988	4.7
170.18979	1.6
189.09056	2.2
377.28442	5.9
395.29596	10.5
439.28534	100.0
440.28891	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	439.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17064	0.4
59.00003	1.9
59.01242	100.0
59.02338	1.3
62.83550	0.4
63.57422	0.7
88.09114	0.5
91.72678	0.7
112.35648	0.5
151.39844	0.6
163.11211	1.3
199.74892	0.6
202.03961	0.6
241.04568	0.7
279.23297	0.9
296.80707	0.6
297.22385	2.3
304.03296	0.7
341.21051	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00099	1.7
59.01242	100.0
59.02497	1.9
71.32521	0.9
75.43651	1.0
76.13899	0.9
85.02811	6.5
93.03278	1.2
174.75301	1.1
174.87482	1.1
191.57137	1.0
265.25433	2.2
269.83484	1.1
277.21820	1.7
319.26236	1.2
321.24274	1.5
358.98096	1.2
361.27277	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	439.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20620	0.7
56.26707	0.8
59.01241	100.0
59.02394	1.8
61.95172	0.6
71.01235	0.9
85.02814	3.1
87.00735	3.4
88.50977	0.6
91.87796	0.8
102.66962	0.8
104.09794	0.7
113.02338	0.8
115.00238	3.0
118.08426	0.7
129.01794	1.1
148.31532	0.7
157.01303	4.4
175.02446	1.0
189.21765	0.9
281.24927	6.1
341.21506	1.1
439.26938	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99947	1.3
59.01241	100.0
59.02408	1.9
60.01592	0.6
65.65432	0.7
74.53072	0.7
85.02812	2.4
94.15660	0.7
173.88193	0.8
263.10669	0.9
279.26956	1.3
319.84930	0.9
321.24484	1.0
460.10529	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76722	0.5
57.61710	0.7
58.77525	0.4
59.01248	0.8
61.97321	1.1
61.98693	100.0
61.99912	1.7
63.35355	0.5
69.03313	0.8
72.99164	3.2
97.02805	0.7
113.02335	2.0
114.02608	0.8
125.02318	4.7
126.02696	0.8
139.66437	0.6
141.01811	1.1
184.59676	0.6
184.67593	0.7
197.44327	0.7
225.08275	0.5
227.53006	0.6
245.15535	0.8
314.32462	0.6
321.80447	0.6
327.13434	0.6
372.87708	0.7
383.13516	2.1
384.13837	4.8
405.12100	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	440.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76722	0.5
57.61710	0.7
58.77525	0.4
59.01248	0.8
61.97321	1.1
61.98693	100.0
61.99912	1.7
63.35355	0.5
69.03313	0.8
72.99164	3.2
97.02805	0.7
113.02335	2.0
114.02608	0.8
125.02318	4.7
126.02696	0.8
139.66437	0.6
141.01811	1.1
184.59676	0.6
184.67593	0.7
197.44327	0.7
225.08275	0.5
227.53006	0.6
245.15535	0.8
314.32462	0.6
321.80447	0.6
327.13434	0.6
372.87708	0.7
383.13516	2.1
384.13837	4.8
405.12100	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	440.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85383	0.2
57.91821	0.2
59.01225	0.6
61.98697	3.4
62.96267	0.5
65.24628	0.2
72.99158	0.5
73.02807	0.2
78.93863	1.6
78.95760	100.0
88.58736	0.2
93.03339	0.6
96.94228	0.9
96.96821	62.7
96.99058	0.6
113.02290	0.5
125.02331	0.9
137.99503	6.1
173.04495	0.6
173.75307	0.3
187.88631	0.2
233.16638	0.2
237.58179	0.6
237.60338	0.3
240.19049	0.2
267.16092	0.3
384.14035	0.5
423.17856	0.9
440.20560	42.6
441.14127	0.6
441.21088	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24831	0.2
59.01239	1.2
61.98689	4.7
65.53545	0.4
72.99180	0.6
76.47823	0.3
78.28247	0.3
78.93734	1.1
78.95760	100.0
78.97578	1.6
93.03321	0.6
96.94105	0.5
96.96820	62.8
96.99229	0.9
97.02804	0.5
101.02324	0.5
105.89163	0.3
110.97760	0.3
113.02253	0.7
125.02314	1.1
137.99489	6.5
172.87215	0.3
173.04460	0.9
192.03781	0.4
237.58188	0.9
275.43063	0.3
324.45557	0.3
372.42493	0.3
423.18030	1.1
440.20554	41.5
441.14154	1.2
441.20956	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32977	0.7
57.03317	4.9
58.00462	0.8
59.01226	3.4
60.53120	0.6
61.86660	0.7
65.03798	1.0
69.03294	1.9
71.01227	2.1
71.06149	0.7
72.99171	4.6
73.02773	1.3
78.95763	6.8
80.87895	0.8
81.03296	3.4
81.52721	0.8
83.01259	5.3
83.04865	1.3
85.02792	1.5
89.02282	2.4
91.05413	0.9
93.03324	5.2
93.06134	0.8
95.01234	4.0
95.04874	3.5
96.45662	0.9
96.95348	0.9
96.95882	13.2
96.96814	17.8
97.02795	3.9
99.00728	1.4
99.04352	0.9
101.02283	1.3
107.04863	3.1
108.02023	11.6
108.17710	0.8
109.02814	46.5
111.04375	5.8
113.02320	2.2
113.05915	2.1
120.02028	1.1
121.02800	5.6
123.04398	9.9
124.84209	0.9
125.02316	46.3
125.05856	1.1
126.96753	0.9
129.06168	1.0
133.06450	1.1
134.50793	1.0
135.04396	6.6
136.01543	12.1
136.97952	0.9
137.02322	66.4
137.85646	0.8
138.03125	9.9
139.03896	16.1
139.14723	0.9
143.04837	1.1
145.02855	1.7
146.03604	1.0
147.04373	2.1
149.02318	1.8
149.05972	1.2
150.03104	0.8
151.03902	13.5
151.07553	1.1
152.01004	1.1
153.01859	1.4
155.03398	0.9
159.04366	2.5
161.02336	2.7
161.05997	2.1
162.03021	1.0
163.03854	2.1
164.01051	31.0
165.01843	29.4
165.05449	4.6
166.02522	1.8
167.03459	7.1
171.04474	1.2
173.02325	2.1
173.06006	2.1
174.02995	1.1
175.00291	0.9
175.03920	1.7
177.01859	5.5
177.05466	1.8
178.02560	2.6
179.03412	100.0
180.03746	2.8
181.05009	4.1
185.05893	1.3
188.04610	1.7
189.01874	1.7
189.05457	3.1
190.02597	1.4
191.03397	4.0
201.05486	1.7
203.03400	2.2
203.07057	2.1
204.04149	1.2
213.05542	2.0
215.03307	1.4
219.06613	4.3
221.04492	1.8
227.03537	1.2
230.05890	1.4
231.06583	6.8
233.04456	1.7
235.16856	1.5
241.05028	2.6
242.05801	2.5
244.03575	1.0
245.08131	2.6
246.05370	2.1
249.07516	1.0
257.04602	5.0
258.05176	1.4
259.06158	1.4
261.07690	42.5
267.15912	1.0
273.07581	3.3
275.09299	12.2
285.07480	1.5
301.07114	2.5
303.08768	5.4
304.05917	1.4
305.03625	1.4
305.06729	17.0
313.07193	1.2
313.10672	1.9
315.05112	1.2
317.06781	1.8
323.14929	1.2
351.14435	4.5
355.12119	4.4
357.09814	2.2
369.15472	2.4
397.12820	7.7
399.75400	1.2
405.11826	1.4
440.12735	1.2
441.11914	62.1
441.17227	3.3
442.12167	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	441.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90934	0.6
53.84729	0.7
56.89891	0.6
57.03314	1.7
59.01240	3.7
62.08834	0.5
69.03314	0.8
71.01244	1.6
81.03307	2.7
83.01245	3.3
83.04906	0.8
89.02280	1.9
93.03307	1.4
95.01226	1.2
95.04870	1.8
97.02819	2.4
105.15490	0.7
108.02040	4.5
109.02101	1.1
109.02812	8.9
111.04383	6.0
113.02307	0.9
119.03397	1.4
121.02817	2.0
123.00749	5.0
123.04380	3.5
124.01540	3.9
125.02313	57.2
133.06493	1.0
135.04398	2.3
137.02322	23.7
137.06058	0.9
138.03098	2.9
139.03899	15.8
147.04425	2.0
149.02313	4.6
149.05925	0.9
149.69193	0.7
150.03117	0.8
151.03882	4.0
159.04375	1.8
159.29930	0.7
161.02373	3.0
162.03075	0.9
163.03908	1.2
164.01067	5.4
165.01834	12.9
166.02571	1.1
167.03398	16.1
167.48933	0.7
173.05988	1.2
175.03857	3.8
175.07428	1.0
176.01042	1.4
176.04669	1.1
177.01862	6.4
177.05458	4.0
178.02606	1.1
179.03406	12.1
183.47820	0.8
189.05479	1.0
191.03427	2.2
191.07118	1.5
193.04990	1.1
201.05507	1.1
203.03418	1.9
204.04207	3.2
213.05400	1.1
217.08717	0.7
218.05763	1.3
219.06567	14.1
219.08658	0.9
221.04485	7.2
227.03336	0.8
231.06589	9.3
237.07578	0.9
247.02390	1.4
261.07693	5.9
273.07678	6.4
301.07205	3.3
305.06693	100.0
306.06979	3.2
315.08740	2.0
317.06641	8.1
330.13199	1.1
397.12579	1.0
432.27490	0.8
441.11951	10.1
441.17819	3.9
449.33224	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.9
58.52163	1.1
59.10689	1.0
64.06358	1.1
69.03338	5.8
71.04900	5.9
72.99168	38.3
73.02836	2.7
73.10996	1.2
73.12576	1.0
74.38203	1.2
81.03339	4.1
83.01283	4.9
85.02856	4.0
87.04374	2.4
90.20526	1.2
93.03356	2.8
95.01270	2.2
95.04919	3.1
96.95922	1.8
97.02814	9.0
98.95470	1.2
99.04425	2.6
107.04941	1.6
108.02080	3.7
109.02811	13.4
111.04394	8.6
113.02296	24.0
115.03943	1.6
121.02834	3.0
123.00802	4.9
123.04459	4.2
124.01567	3.7
125.02316	100.0
126.02694	3.0
135.04439	3.0
135.08055	1.3
137.02330	30.2
138.03149	4.1
139.03902	15.8
149.02299	6.2
149.06030	4.3
151.03957	3.4
151.11153	2.2
159.04561	1.7
161.02409	3.2
162.03131	1.6
163.11217	4.4
164.01158	4.8
165.01816	15.8
165.05634	1.6
166.02672	1.8
167.03416	17.7
167.04546	1.5
173.06110	2.0
175.04021	4.1
177.00581	1.8
177.01842	7.4
177.05434	6.3
178.02579	2.0
179.03424	15.8
179.10782	4.8
191.03517	1.7
191.07227	1.9
195.10240	1.3
198.45616	1.3
201.05591	2.4
203.03554	4.5
204.04350	2.4
207.10318	3.2
215.14557	1.8
218.05725	1.6
219.06566	12.1
221.04581	7.1
225.11316	1.7
231.06630	10.9
233.15561	2.5
233.50737	1.7
243.06462	1.4
243.14012	1.6
245.04575	1.6
245.15651	2.2
245.35297	1.6
261.07742	6.6
261.15088	3.6
267.16220	4.0
273.07797	8.7
279.16095	2.2
301.07425	3.9
305.06686	95.5
305.14075	3.5
306.07196	5.4
309.09991	2.5
315.12585	1.4
317.06653	7.6
349.12997	3.1
353.16187	3.8
367.13971	21.7
379.14236	2.6
385.15369	4.5
397.14365	1.7
441.14090	64.5
442.14108	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	441.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.6
59.01237	6.7
68.99657	1.5
69.03307	1.9
71.01243	3.6
71.04885	1.9
72.99165	69.0
73.02801	4.1
75.00725	7.4
81.03341	1.8
83.04863	2.7
85.02806	3.5
87.04364	3.7
89.02316	1.3
91.73383	1.2
93.03301	3.6
95.04897	1.3
96.95869	21.9
97.02827	3.4
97.06428	1.3
99.04385	8.3
99.08025	3.3
100.98650	5.7
101.02312	3.5
101.05956	2.3
103.00253	1.9
103.03867	1.6
106.04080	1.3
107.04891	2.1
108.02007	1.6
109.02810	4.6
111.04407	1.7
113.02335	4.8
113.05930	1.6
119.04845	1.2
121.02823	3.6
123.04412	2.4
125.02330	10.0
127.07536	1.6
129.09082	1.3
135.04395	2.9
137.02321	5.7
137.05968	3.3
139.03893	3.2
140.08324	1.8
141.09067	1.9
147.04398	1.8
149.02322	3.5
149.05959	2.6
149.09642	3.3
151.03926	2.3
151.07559	1.3
153.01830	1.6
163.11214	1.6
165.05467	10.2
165.12746	1.7
167.03496	1.7
167.10654	2.4
169.08505	1.7
173.04520	2.7
175.03841	2.0
176.01128	1.3
177.01785	3.9
177.05476	1.9
177.09059	2.2
179.07233	1.6
179.10667	3.6
181.12306	1.5
187.11360	1.4
189.09196	1.9
191.10715	1.9
193.12300	3.7
195.10335	1.4
202.06361	2.1
202.99835	1.7
203.10791	2.9
205.08643	3.4
205.12326	1.9
207.06628	2.5
209.44749	1.4
218.05765	1.8
221.11745	1.9
222.08849	1.7
223.63812	2.2
231.06583	1.5
233.15517	2.2
249.11211	1.5
259.13525	5.9
261.15012	2.8
273.07498	1.3
275.12662	1.5
277.14572	3.3
289.06952	1.9
295.15387	2.6
305.06680	7.4
307.15454	2.4
323.14966	6.3
335.02170	1.3
339.13272	1.3
341.16031	10.4
351.14471	9.2
353.02997	5.8
353.16016	5.0
358.73660	1.6
366.86359	1.3
367.13947	10.0
369.15549	9.2
379.00784	2.1
379.13925	11.4
385.14868	3.9
397.02014	2.5
397.15042	100.0
398.15433	5.0
413.14636	5.0
423.12817	10.1
441.13672	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	441.1407
Annotation	Yadanziolide B
Peak:m/z	Relative Intensity
50.49615	0.8
52.73363	0.9
54.13358	0.9
57.03310	2.3
59.01226	3.9
61.58369	0.9
69.03305	7.5
71.01246	2.8
71.04877	1.4
72.99165	100.0
73.02798	4.3
73.99483	1.2
75.00694	1.0
79.17545	1.0
80.50704	1.0
82.92414	1.1
85.02807	12.1
87.04372	12.2
93.03272	1.9
96.95869	10.4
97.02807	6.7
97.05067	1.4
99.04359	5.0
101.02261	1.5
109.02775	1.3
111.04366	1.2
113.02307	32.6
115.03870	6.3
119.04884	2.1
121.02805	2.7
125.02306	31.9
126.02671	1.2
133.02789	1.2
135.04362	1.7
136.05170	2.1
137.02293	1.4
141.01799	4.0
143.03409	2.5
146.03598	1.7
147.04451	2.6
148.74423	1.1
149.02286	2.0
149.06003	1.6
149.09589	1.8
151.11174	4.3
153.09122	1.5
161.09576	1.2
163.00249	1.6
163.11182	3.2
165.05437	3.3
165.12723	2.1
174.06834	1.2
175.03893	1.5
175.11197	4.6
177.01852	1.2
177.12807	1.1
179.10655	6.1
181.12259	2.5
185.06050	1.1
189.05331	1.2
191.10744	5.2
193.12254	3.1
204.11357	1.2
205.12241	4.9
207.10207	8.3
207.40378	1.1
209.11693	1.5
217.01472	1.9
219.10323	5.8
221.15314	1.3
225.11258	15.9
231.10245	2.2
232.10960	2.3
233.11710	1.6
237.71835	1.5
243.13863	3.7
249.11330	1.8
259.10269	1.3
259.13232	2.5
261.00345	2.7
261.12021	1.0
261.14902	8.1
271.13239	1.5
277.14420	2.1
279.12497	1.9
281.10364	1.8
281.13608	1.8
287.12912	2.7
289.14182	1.7
293.13995	1.5
305.13879	5.3
307.15326	1.3
309.09863	14.8
315.12292	4.0
323.14993	4.1
333.13318	3.0
341.15930	1.4
345.24194	1.4
349.12927	4.6
351.14307	2.0
361.12766	2.0
367.13998	90.5
368.14224	4.0
379.14008	21.9
385.14709	3.5
395.13574	6.8
397.14865	4.2
413.14319	2.8
423.13104	8.2
441.14011	49.0
442.14371	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	441.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63004	0.6
53.43559	0.5
59.01241	9.5
60.32079	0.5
72.99172	1.3
77.03820	2.7
77.31738	0.6
77.36020	0.6
82.88074	0.6
85.00950	0.5
85.02798	0.9
89.03823	1.9
93.03323	0.9
95.04889	4.9
97.06458	0.6
98.16793	0.6
103.60709	0.7
105.03326	22.1
107.04898	1.2
108.02010	1.5
109.02802	1.5
117.40958	0.6
119.04886	1.3
123.04407	7.6
124.01527	4.4
125.02338	1.2
125.09572	0.8
128.58257	0.7
132.02057	0.8
133.02829	100.0
134.03619	4.3
135.04398	46.7
137.47652	0.6
139.03905	3.6
149.05981	0.9
151.03912	2.1
151.21434	0.6
153.01810	2.7
153.67429	0.6
161.05960	3.0
162.03114	0.9
163.03893	2.1
177.01846	39.1
178.02600	3.4
179.03409	37.9
180.03769	0.7
184.04272	0.6
187.03835	0.6
216.02647	0.7
217.00241	0.7
217.12283	16.2
233.11876	2.1
243.10237	0.8
245.11867	3.1
261.11349	3.4
267.06595	0.8
273.11316	0.7
283.13181	0.7
287.25186	0.7
296.10504	0.9
297.07745	3.0
301.10867	1.0
317.10532	0.9
323.09232	1.1
323.12933	0.9
335.46033	0.7
337.79614	0.7
359.01373	0.8
378.14722	1.0
379.15521	1.5
381.17114	1.4
393.17020	2.1
405.11874	3.2
411.18182	3.9
423.18463	1.5
441.19635	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	441.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76399	0.4
59.01228	2.7
61.98667	0.6
72.99156	2.4
73.72277	0.6
77.03810	2.7
77.43960	0.7
89.03803	1.7
95.04872	4.7
95.05365	0.5
98.11157	0.6
105.03318	17.7
106.03712	0.8
109.02805	4.4
123.04351	3.1
132.02005	0.8
133.02829	100.0
134.03227	1.4
135.04390	8.3
151.03883	1.0
153.01826	5.7
174.99176	1.1
177.01843	49.1
178.02330	1.4
179.03383	7.5
186.15706	0.7
201.02499	1.0
217.00308	3.2
233.15367	0.9
245.12068	0.9
297.07449	0.9
405.11926	6.4
441.14804	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17744	0.2
56.09453	0.2
58.02835	1.7
60.04177	0.5
70.02836	8.7
71.01239	0.3
71.04876	13.5
71.94695	0.2
72.00778	0.5
78.95753	0.6
80.82993	0.5
87.05492	5.6
93.03324	0.4
98.05935	0.3
99.04362	4.1
115.04996	1.4
116.07037	2.5
119.01120	0.6
119.04890	69.4
119.08177	0.9
120.05206	1.6
129.05418	1.5
130.03191	7.9
146.08110	75.0
146.12607	1.0
147.05858	4.2
147.08443	1.4
148.06017	0.2
163.03894	3.5
217.11882	18.5
217.20010	0.4
218.12199	0.5
243.13515	0.5
267.16080	0.3
277.12271	100.0
277.24020	0.9
278.12567	3.6
339.83371	0.4
376.90359	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61628	1.0
55.01764	1.6
57.03307	3.2
58.00451	3.2
58.99939	1.2
59.01242	96.4
59.02399	2.5
63.53464	0.9
69.03315	1.3
71.01237	82.6
71.02783	1.1
71.04873	2.6
72.99157	7.3
73.02804	20.7
75.00723	1.0
81.03311	2.2
83.01248	8.9
83.04871	5.1
85.02805	29.5
85.06414	1.8
85.99968	1.6
87.00204	2.2
87.00729	27.2
87.04377	5.2
89.02298	58.1
93.03324	2.6
95.01241	6.9
95.04877	1.3
96.95875	9.7
97.02823	2.4
97.06484	1.2
98.03580	2.3
99.00746	8.1
99.04376	6.8
99.07996	1.2
101.02304	63.2
107.04885	3.5
108.02050	1.7
109.02814	8.8
109.06441	1.4
111.00735	4.0
111.04346	1.7
113.02307	41.6
113.05955	5.5
119.03370	26.5
120.03753	1.2
121.02836	1.6
121.06483	4.8
123.04404	2.0
123.08060	2.5
125.02335	5.1
125.05933	1.8
125.09591	34.2
127.03912	2.7
127.07549	1.3
129.01813	4.0
131.03389	2.9
131.57634	1.0
133.02713	1.1
133.06438	2.8
135.04396	1.9
135.08052	3.3
136.05179	18.5
137.02292	2.6
137.05960	2.9
137.09583	2.3
138.03101	2.0
139.07527	6.0
141.09097	6.7
143.03397	5.7
147.00893	1.3
147.04420	4.0
147.08073	3.2
149.04471	1.8
149.05969	3.1
151.03893	4.3
151.07532	50.5
152.04704	5.0
152.08118	1.0
153.01915	1.7
153.05463	28.8
153.06699	1.8
153.09065	1.2
155.07114	1.7
159.00725	1.4
159.02892	6.7
159.04413	2.6
161.02444	1.5
161.04445	35.5
161.05823	2.2
161.09639	2.4
162.06738	1.7
163.07567	8.8
164.04720	1.4
165.05472	21.1
165.06845	1.2
165.09135	3.8
165.12802	3.3
166.06297	6.0
167.07010	6.0
169.08609	100.0
170.09003	1.6
172.01645	1.8
173.06021	1.4
175.11215	1.9
177.01872	1.9
179.05530	11.9
179.07091	2.9
186.06757	1.2
187.00299	3.8
187.07645	2.8
188.01031	1.2
189.12871	1.4
191.10756	3.7
191.14391	4.1
192.08031	1.2
192.56958	1.2
193.04939	1.9
199.11301	3.2
201.05556	1.7
201.09082	3.1
202.09915	20.2
207.13878	2.2
209.04594	1.6
214.99864	2.4
215.10796	1.6
217.12267	20.0
219.10228	13.5
220.11078	3.6
234.12581	1.6
235.09770	2.5
235.13344	26.2
241.10774	29.0
241.13141	1.9
242.99393	4.8
243.06595	11.6
244.00089	4.5
249.13417	5.1
261.11371	3.7
279.12485	1.8
287.99063	2.0
330.13330	4.6
331.14001	82.8
332.14502	2.6
353.03137	1.9
381.17639	4.6
397.18689	10.0
405.12057	3.5
410.57382	1.2
441.17783	75.5
442.18341	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	441.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24757	1.6
55.01752	3.1
57.03313	4.3
59.00135	2.4
59.01242	93.0
61.98689	4.2
71.01240	83.2
73.02809	18.3
78.95759	3.7
81.03337	2.1
83.01236	10.0
83.04867	5.1
85.02804	32.3
85.99989	2.0
87.00736	27.0
87.04371	3.8
87.05499	2.8
89.02294	54.0
93.03236	2.2
95.01239	4.5
96.95885	13.3
97.02810	4.6
98.03578	2.3
98.93145	2.1
99.00716	4.9
99.04386	5.5
101.02299	57.5
109.02794	2.6
109.06445	2.9
111.00718	2.1
113.02308	37.6
113.03180	3.3
113.03445	3.7
113.05972	6.1
113.77588	1.9
114.05475	7.9
119.03368	24.0
121.06491	4.8
123.04352	2.7
125.02297	4.2
125.09582	29.9
127.03861	2.5
128.43120	2.2
130.08630	3.6
131.03439	2.7
131.04475	5.3
133.04942	5.6
135.08089	4.6
136.05179	11.3
137.05934	2.6
139.07516	5.3
141.09082	6.4
143.03400	7.0
149.05951	3.9
151.03912	4.0
151.07533	55.4
152.04715	5.2
153.05458	25.4
159.02916	6.0
161.04454	27.7
161.05693	4.1
163.07567	7.3
164.07040	2.2
165.12758	2.5
166.06264	3.8
167.03401	9.3
167.07014	6.2
167.67822	2.0
169.08614	100.0
175.11113	3.1
177.09096	3.3
179.05534	14.3
187.07582	3.8
193.08644	3.5
201.09206	3.3
202.09909	21.0
207.13927	3.4
213.12416	3.3
217.12331	19.2
219.10168	11.0
220.10912	3.1
227.13939	4.3
235.13387	25.1
241.10808	28.9
245.56705	2.4
249.13469	4.9
261.11392	3.0
279.12292	2.5
317.12244	2.7
330.13354	5.0
331.13992	89.1
332.14600	2.7
381.17551	11.7
397.18906	4.6
405.18094	2.6
441.17606	70.2
441.23633	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	441.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14017	0.3
50.60319	0.2
52.89283	0.3
57.03302	0.4
57.24821	0.2
59.01234	0.4
60.84158	0.3
61.98684	0.8
65.69254	0.2
65.71840	0.2
70.59561	0.3
70.65247	0.3
71.91091	0.3
72.99173	0.7
73.85475	0.3
82.46648	0.3
82.74663	0.4
83.96887	0.4
89.02232	0.3
93.03316	0.3
94.05377	0.6
94.05862	0.4
95.53575	0.4
96.95884	0.4
97.02831	0.4
97.31461	0.3
121.06483	0.4
125.02348	0.4
133.06456	0.4
155.94298	0.3
161.09563	0.3
167.54280	0.4
176.18703	0.3
189.12758	0.5
207.06065	0.3
219.13969	0.3
223.48486	0.4
241.12250	0.6
245.89000	0.3
249.16261	0.4
253.15967	0.7
255.13950	1.0
256.13876	0.3
257.19055	0.8
267.17606	1.4
269.19101	6.4
270.19318	0.6
281.15308	0.6
283.16898	1.6
285.18588	2.2
289.15784	0.9
291.17276	1.2
295.13245	0.4
297.18649	0.4
305.15234	0.6
307.16827	9.1
309.18362	21.1
310.18787	0.9
311.16553	0.5
323.16254	2.0
327.19522	1.0
333.14627	0.5
335.16318	10.5
336.16681	0.5
337.17938	1.0
349.14224	0.6
351.15836	2.7
353.17316	4.2
355.18927	100.0
356.19278	6.0
367.15222	0.8
369.16815	0.8
371.18433	6.5
373.20059	1.8
382.19995	0.8
389.19290	0.6
397.15723	1.9
397.20190	1.3
399.17899	30.4
400.18115	2.0
405.11887	1.1
406.12698	0.4
415.17203	3.2
419.19122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	5.5
61.98684	3.0
63.24758	0.7
71.01216	2.4
72.99158	1.3
73.02774	1.0
78.95778	1.8
79.95599	1.5
83.04884	3.0
87.00716	1.0
89.02283	2.2
89.86163	0.9
93.03304	2.9
96.95866	100.0
96.98504	1.3
99.00737	1.0
101.02293	2.4
109.02822	1.7
111.04382	1.9
121.02803	1.2
127.03905	0.9
128.03403	2.1
132.35704	0.8
134.03606	2.2
138.42781	0.9
149.05907	1.2
171.02837	1.0
173.04459	11.1
175.02370	2.4
182.99632	1.1
193.12257	2.2
197.01233	1.7
199.03021	0.9
209.01332	1.4
225.00746	2.9
235.11903	1.9
253.00468	1.1
256.62286	0.9
268.99765	1.5
296.99353	1.6
303.14603	1.4
381.17444	3.0
441.07336	1.5
441.18973	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42051	0.3
54.04541	0.3
59.01124	1.5
59.01437	0.8
59.02708	0.4
72.99058	0.9
72.99411	0.4
73.18139	0.4
74.40915	0.4
74.88143	0.3
77.33485	0.4
81.35573	0.4
81.35987	0.6
88.97868	0.4
89.00941	0.4
95.68823	0.4
105.03234	0.6
107.04763	0.7
109.02658	4.0
123.00640	0.9
123.04270	0.4
124.01361	9.6
124.02325	0.6
125.02294	2.2
133.02815	4.7
134.03520	0.6
135.04193	2.1
137.02144	1.4
137.03114	0.5
138.02983	0.8
139.03882	8.9
140.72340	0.4
145.02658	0.4
150.03008	0.7
151.03745	1.1
153.01634	1.7
157.06354	0.9
161.02119	0.6
174.02991	0.6
175.03952	2.2
177.01833	2.5
177.05292	0.5
178.02492	0.8
179.03217	1.6
183.07997	0.5
192.07863	2.8
197.09682	2.7
207.07947	3.9
207.10077	2.2
209.09622	3.4
211.07526	0.5
217.00067	1.6
225.09119	3.3
235.07600	5.7
236.08307	0.6
237.09169	4.7
238.06186	1.4
239.07010	1.0
241.12408	2.1
251.06953	1.4
252.07881	0.5
253.08701	18.8
254.09035	0.9
259.09702	2.8
263.06976	1.5
264.07681	0.9
265.08630	1.0
266.05722	1.2
267.06644	8.2
268.07239	0.7
277.08661	0.9
280.07330	3.2
281.08194	36.5
282.08859	6.4
290.05875	0.7
291.06506	0.8
295.09753	1.1
297.07947	0.4
297.11261	1.1
304.07239	0.5
305.07983	0.7
309.07538	1.2
311.05554	0.7
313.10739	0.5
323.09314	3.8
323.12695	0.8
327.08713	0.5
334.12204	0.6
337.14270	1.0
347.12787	1.1
349.14499	4.7
359.01294	0.8
363.16068	0.7
365.13977	7.5
366.14755	8.0
381.17099	100.0
382.17520	5.7
385.13684	0.5
397.16559	1.6
405.12045	1.6
411.14233	3.5
426.16592	2.0
441.19345	15.2
442.19556	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	1.0
57.03305	1.6
59.01242	36.2
59.02413	0.8
61.98676	0.4
69.03319	0.6
70.51967	0.4
71.01238	21.7
72.99156	1.2
73.02804	6.4
73.03934	0.4
75.87530	0.4
76.17506	0.5
78.95757	1.8
79.09074	0.4
82.95278	0.9
83.01232	4.5
83.04900	0.8
85.02806	10.3
87.00739	1.3
89.02296	13.5
91.50368	0.5
93.03278	0.6
95.01237	0.7
95.53497	0.5
95.65704	0.4
96.95252	0.8
96.95869	11.3
97.02833	1.1
99.00747	3.0
101.02303	25.1
111.00726	2.2
113.02312	8.0
115.03874	0.6
119.03296	0.5
125.02312	1.5
127.03874	0.6
130.08575	0.9
131.03381	9.1
132.33070	0.5
143.03381	1.3
149.04462	3.5
159.02892	1.8
160.41011	0.8
161.04456	6.0
166.08614	0.5
168.04710	0.9
193.12216	0.6
195.11351	0.5
233.06639	1.4
249.13423	30.3
250.13765	1.1
294.45084	0.5
318.54517	0.5
326.20844	1.1
343.71490	0.5
381.17679	100.0
382.17963	5.0
439.19125	0.6
441.18396	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	1.0
57.03305	1.6
59.01242	36.2
59.02413	0.8
61.98676	0.4
69.03319	0.6
70.51967	0.4
71.01238	21.7
72.99156	1.2
73.02804	6.4
73.03934	0.4
75.87530	0.4
76.17506	0.5
78.95757	1.8
79.09074	0.4
82.95278	0.9
83.01232	4.5
83.04900	0.8
85.02806	10.3
87.00739	1.3
89.02296	13.5
91.50368	0.5
93.03278	0.6
95.01237	0.7
95.53497	0.5
95.65704	0.4
96.95252	0.8
96.95869	11.3
97.02833	1.1
99.00747	3.0
101.02303	25.1
111.00726	2.2
113.02312	8.0
115.03874	0.6
119.03296	0.5
125.02312	1.5
127.03874	0.6
130.08575	0.9
131.03381	9.1
132.33070	0.5
143.03381	1.3
149.04462	3.5
159.02892	1.8
160.41011	0.8
161.04456	6.0
166.08614	0.5
168.04710	0.9
193.12216	0.6
195.11351	0.5
233.06639	1.4
249.13423	30.3
250.13765	1.1
294.45084	0.5
318.54517	0.5
326.20844	1.1
343.71490	0.5
381.17679	100.0
382.17963	5.0
439.19125	0.6
441.18396	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.8
57.03307	0.5
57.83525	0.3
59.01243	14.6
61.98691	0.5
67.75931	0.4
69.03320	0.4
71.01240	6.8
72.99169	0.8
73.02808	3.7
78.56798	0.6
78.57227	0.4
78.95746	0.4
83.01247	3.5
83.04862	0.5
85.02804	4.6
85.99949	0.5
87.00726	1.0
89.02295	0.9
89.59715	0.4
91.73328	0.4
93.03320	4.0
95.01221	1.0
99.00732	1.1
100.07520	0.4
101.02299	6.6
111.00734	1.7
111.04418	2.0
113.02303	1.8
121.02888	0.6
128.07043	1.2
128.54578	0.4
129.01892	0.3
137.02393	2.0
146.68214	0.5
155.03404	4.1
159.02849	0.4
166.00812	0.6
172.06055	1.2
173.04492	0.8
177.12732	1.0
181.12215	0.4
205.12480	0.4
217.15967	0.5
233.15434	5.1
235.17017	30.8
236.17328	1.4
267.23306	0.5
285.20724	0.9
337.61533	0.5
394.80075	0.5
397.22400	1.9
405.11877	1.5
417.81586	0.4
436.91766	0.5
440.27209	0.8
441.21317	100.0
442.21771	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	441.2131
Annotation	Jatamanvaltrate G
Peak:m/z	Relative Intensity
55.01746	0.8
57.03307	0.5
57.83525	0.3
59.01243	14.6
61.98691	0.5
67.75931	0.4
69.03320	0.4
71.01240	6.8
72.99169	0.8
73.02808	3.7
78.56798	0.6
78.57227	0.4
78.95746	0.4
83.01247	3.5
83.04862	0.5
85.02804	4.6
85.99949	0.5
87.00726	1.0
89.02295	0.9
89.59715	0.4
91.73328	0.4
93.03320	4.0
95.01221	1.0
99.00732	1.1
100.07520	0.4
101.02299	6.6
111.00734	1.7
111.04418	2.0
113.02303	1.8
121.02888	0.6
128.07043	1.2
128.54578	0.4
129.01892	0.3
137.02393	2.0
146.68214	0.5
155.03404	4.1
159.02849	0.4
166.00812	0.6
172.06055	1.2
173.04492	0.8
177.12732	1.0
181.12215	0.4
205.12480	0.4
217.15967	0.5
233.15434	5.1
235.17017	30.8
236.17328	1.4
267.23306	0.5
285.20724	0.9
337.61533	0.5
394.80075	0.5
397.22400	1.9
405.11877	1.5
417.81586	0.4
436.91766	0.5
440.27209	0.8
441.21317	100.0
442.21771	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	441.301
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03809	2.8
68.58723	0.6
71.30931	0.7
71.34583	0.6
74.57987	0.6
79.05364	1.4
79.45399	0.6
83.04935	0.6
93.03328	7.0
94.97963	1.5
95.04852	0.9
96.95896	1.1
107.04887	45.1
108.05264	0.9
112.74753	0.8
119.04906	8.3
121.02801	4.1
132.94382	0.7
143.04918	1.3
159.08105	1.0
160.57928	0.8
161.05988	2.9
304.70105	0.8
309.85696	0.7
379.30121	8.4
397.31149	11.4
441.30121	100.0
442.30563	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	441.3012
Annotation	Paeonenoide C
Peak:m/z	Relative Intensity
51.55752	0.5
57.03304	0.7
60.57425	0.6
65.03822	1.9
79.05397	1.1
81.03307	0.6
83.04879	0.7
85.38937	0.5
93.03329	5.4
94.97942	1.3
95.04855	1.1
96.95869	1.5
101.79592	0.6
107.02029	0.7
107.04890	46.8
109.02819	1.3
116.42870	0.5
119.04888	5.7
119.58331	0.5
121.02799	5.7
143.04802	0.8
160.43810	0.8
161.05952	4.5
162.91956	0.7
177.09036	0.7
211.63400	0.6
247.50009	0.6
252.97342	0.6
278.87064	0.6
319.18652	0.8
319.22467	0.7
354.45325	0.7
379.30035	6.7
382.36063	0.6
397.31137	13.1
415.65073	1.5
441.30127	100.0
442.30444	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	442.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00159	0.8
56.16554	0.8
58.02831	4.2
58.99450	1.1
59.01236	4.3
61.98688	2.3
66.03357	1.0
70.02849	1.8
71.01238	1.6
72.00762	0.9
72.04407	1.4
72.99168	1.9
73.02803	1.0
73.43884	0.8
74.01941	1.8
74.02328	19.8
75.00722	1.0
78.95761	2.1
80.04907	2.8
81.92947	0.9
82.02837	6.3
83.01234	2.1
84.00761	1.5
84.04385	1.0
85.02782	1.0
86.02325	1.5
86.05962	2.0
86.98952	1.7
87.00718	1.5
87.05501	5.7
88.03881	1.0
89.02312	1.0
90.00055	0.9
96.00761	1.3
96.04408	13.6
96.51791	1.0
96.95875	3.3
97.03938	10.4
98.02322	6.2
98.05967	1.8
99.00751	3.1
99.05498	14.1
100.00262	3.9
101.02329	2.3
102.05428	1.3
107.46362	1.0
108.04415	6.8
109.03949	3.0
110.02349	2.4
110.05923	0.9
112.02596	1.0
112.03896	6.6
112.07528	7.1
113.02298	1.8
113.03442	3.8
114.05471	2.0
115.08602	1.5
116.01627	3.1
116.03398	1.0
119.04890	1.4
120.04439	1.3
122.06009	3.3
124.03906	20.0
125.02460	2.0
125.03436	17.7
125.04718	2.2
126.05473	2.6
127.00227	2.0
127.05002	5.7
128.03410	9.3
131.04459	1.7
134.02315	2.6
135.05469	1.6
136.03880	1.4
137.07066	11.2
138.05475	3.8
139.05011	10.2
140.07050	4.2
143.04515	17.2
146.04530	1.6
147.05542	2.7
150.01842	2.1
151.05035	1.4
152.03415	6.8
153.06560	3.3
155.08163	10.8
156.03067	1.0
160.00621	17.9
162.29262	1.0
163.03859	2.4
163.05084	2.1
165.06593	21.3
166.04916	1.0
167.04601	1.4
168.02991	1.3
169.06001	1.3
175.02405	1.1
177.03262	2.4
178.01352	5.2
179.04529	4.5
181.06160	8.3
183.07666	5.6
189.00366	1.4
189.91132	1.7
191.04559	2.1
196.02449	3.5
197.05605	1.4
199.07063	1.1
209.05620	13.7
209.10178	1.0
210.08775	2.1
225.05133	41.8
227.06703	7.5
241.04622	1.8
243.04425	2.6
252.94376	1.4
253.04646	100.0
254.04979	3.0
254.07687	2.9
259.03964	8.9
261.05585	1.9
271.05759	15.2
272.08896	4.3
287.03433	8.1
288.06589	3.0
305.04431	5.9
306.07657	18.0
309.22870	1.2
424.08249	2.6
441.14343	1.9
441.22205	1.7
442.09067	19.3
442.14096	2.8
442.22385	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08577	0.8
55.34555	0.4
57.03302	0.4
59.01254	0.8
60.21072	0.5
71.01239	1.4
72.99169	1.0
73.18674	0.4
75.12156	0.5
76.62809	0.5
76.89045	0.5
84.69128	0.5
93.03278	0.5
95.19310	0.5
96.95874	1.2
101.02251	0.7
101.03825	1.7
102.11716	0.4
106.32490	0.5
108.02058	1.2
109.02813	28.3
110.03155	0.9
117.03332	5.2
119.04900	4.0
123.00724	1.0
123.04343	1.2
125.02322	4.1
126.02660	1.7
129.03346	3.1
133.02791	0.7
137.02316	1.3
137.74626	0.5
139.03883	1.5
145.02831	13.2
147.04393	14.1
149.02287	0.6
149.05923	3.0
153.01823	16.7
157.02809	3.9
161.02339	3.2
163.03920	5.1
165.01811	1.6
167.03424	1.0
173.02341	26.6
174.02768	1.0
177.01843	0.7
177.05486	3.6
179.03491	0.8
189.01859	8.0
191.03419	0.7
200.01079	0.6
201.01868	21.7
202.02196	0.7
217.01372	10.6
219.06740	0.8
221.04485	0.5
222.04630	0.7
233.00922	0.8
239.05496	0.8
245.00897	100.0
246.01266	3.3
261.00354	3.2
262.01184	0.6
285.09448	0.5
288.99799	1.4
305.06693	1.8
306.06879	4.4
307.07199	2.6
347.30249	0.6
351.14444	3.8
354.50848	0.6
369.15594	0.7
425.14038	0.8
443.15567	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53733	0.6
55.79314	0.7
57.03316	1.9
59.01254	3.8
60.91800	0.6
71.01236	4.6
71.04855	0.8
71.13187	0.6
72.99160	5.5
73.02820	2.0
81.00952	0.8
81.03329	2.2
87.00747	2.1
89.02312	2.0
91.01764	1.6
93.03305	5.6
95.01265	0.8
95.04862	0.8
96.95876	2.3
99.04379	2.1
101.02322	2.2
101.50456	0.7
105.03264	0.8
107.01270	3.0
107.04916	0.8
108.02045	4.0
109.02816	17.5
110.33141	0.8
111.00737	0.7
111.04375	1.4
113.02318	2.7
115.48141	0.7
116.92754	1.1
117.01823	0.8
117.03352	2.8
119.01218	1.3
119.04909	1.0
121.02811	6.0
122.03611	1.9
123.00777	0.9
123.04424	1.5
125.02350	4.3
127.51278	0.7
131.01266	1.2
132.02043	16.1
132.02962	1.2
133.02812	8.6
135.00720	1.3
135.04335	0.7
136.01547	2.4
137.02335	13.3
137.06010	2.2
139.03909	1.6
141.01843	0.8
145.02869	2.2
147.00798	2.9
147.04437	1.8
148.01546	19.9
149.02335	5.0
149.05966	13.5
151.00226	4.4
152.01064	3.2
153.01802	9.1
159.00822	1.9
160.01555	19.4
161.02345	11.9
161.99431	1.0
163.00273	11.9
163.03889	1.4
164.00949	0.9
165.01804	4.2
166.02609	1.4
167.03413	0.9
173.02388	4.5
173.04451	5.2
175.00275	6.6
176.01088	9.3
177.01848	15.0
177.05466	12.2
178.99806	6.9
179.03513	0.9
187.00346	1.7
188.01106	13.0
189.01843	9.5
190.02637	1.6
190.99748	5.9
192.00571	11.3
193.01353	48.1
193.05023	1.5
195.06558	0.9
201.01845	4.1
202.99773	10.4
204.00575	2.7
205.01366	20.4
206.01828	1.0
208.00069	1.0
209.00920	1.4
214.99911	0.9
216.00584	1.4
217.01376	11.1
218.01955	1.0
218.99312	6.6
219.03000	0.8
220.00067	9.4
221.00873	2.3
230.99286	1.2
232.00101	9.1
233.00882	6.0
233.11946	1.0
239.05699	2.1
245.00902	14.3
245.11612	0.9
258.98816	1.8
259.99606	17.6
261.00400	54.3
262.00891	2.8
269.04782	0.9
273.00409	19.8
274.00900	1.1
274.98331	2.8
275.99121	4.3
281.13974	1.4
288.99820	5.6
289.14404	2.1
290.00772	5.3
291.01465	48.8
292.01843	2.0
295.02606	0.9
305.13879	3.5
307.15613	1.8
323.15036	1.3
333.13354	1.2
341.03128	1.5
351.14505	25.3
367.00870	1.2
369.02512	23.4
369.15329	1.2
370.02704	1.1
385.01968	5.1
395.00281	1.8
399.20450	1.1
413.01547	100.0
414.01895	5.9
425.14441	4.2
435.09506	0.9
443.02560	22.8
443.07556	1.4
443.14066	1.3
443.19266	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	443.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76161	0.4
55.01742	0.4
55.95942	0.4
59.01241	6.9
63.17062	0.4
64.06895	0.4
67.01728	0.5
69.48306	0.4
71.00868	0.9
71.01238	11.5
72.99160	1.1
73.02799	1.4
78.95761	13.9
83.01235	0.8
85.02803	1.5
87.00732	15.6
93.03322	1.7
93.86353	0.4
95.04897	0.5
96.95901	2.4
96.96824	7.9
97.02804	1.2
99.00755	1.0
101.02279	2.6
105.03296	1.0
107.04914	0.7
108.02043	0.8
109.02809	0.9
111.00749	1.3
112.00263	0.9
113.02323	0.6
115.00236	38.8
121.02833	2.4
123.04385	6.0
125.02296	0.9
127.00212	0.7
133.02786	0.6
133.04942	0.7
136.01434	0.5
137.02272	2.5
138.03123	0.8
139.02803	0.8
139.03888	15.1
149.02324	1.5
151.03905	4.3
154.99681	0.7
157.01347	0.7
160.06036	0.7
161.02394	0.6
165.01843	3.3
167.02000	0.9
167.03395	14.3
175.02386	100.0
176.02725	1.8
177.01848	4.3
177.07550	1.0
179.03369	1.2
183.02960	2.3
195.02922	16.4
196.03105	0.5
209.35550	0.6
216.54764	0.5
223.02438	44.8
224.02797	1.2
227.57887	0.5
268.04727	1.6
270.06284	1.5
275.33725	0.6
281.02936	2.4
282.03796	0.9
333.91846	0.5
339.03683	0.8
341.10889	1.8
345.08408	1.0
399.05762	5.4
443.10709	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	443.05
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77000	0.1
59.01233	0.2
71.01233	0.2
72.99168	0.2
74.86491	0.1
78.95763	0.3
79.95592	2.0
85.37942	0.1
89.02282	0.2
96.93099	1.0
96.95869	100.0
96.98335	1.5
109.02813	0.1
123.04420	0.2
125.02335	0.1
137.02325	0.2
138.03116	0.1
139.03905	2.0
144.62045	0.1
151.04007	0.1
156.35576	0.1
160.14737	0.1
176.29376	0.1
178.21841	0.1
187.65396	0.1
195.04749	0.1
201.36273	0.1
222.05466	0.1
237.07645	0.4
244.14395	0.1
258.49979	0.1
301.09305	1.4
345.08060	0.2
399.06516	0.2
443.15363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48452	0.3
53.79303	0.2
55.44338	0.4
61.99066	0.4
65.19558	0.3
65.21302	0.4
79.95591	4.0
80.02532	0.6
80.96368	1.3
83.88939	0.4
95.95078	1.0
96.69312	0.3
96.93474	1.3
96.95866	91.1
96.98573	0.8
108.02029	36.5
108.05219	0.5
122.97459	3.0
123.04385	16.1
124.04803	0.4
134.03592	0.5
136.01550	0.5
150.03093	1.2
151.96324	0.9
152.01038	84.4
153.01349	1.0
162.03094	1.7
165.05479	0.7
166.97987	1.1
167.03398	100.0
167.09503	0.8
168.03764	2.6
177.05411	0.9
275.02325	11.2
275.05307	0.6
293.20398	0.4
368.13696	0.4
443.06522	29.2
444.07037	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01227	2.1
61.98695	14.8
65.31038	1.7
71.01234	3.7
71.82851	1.7
72.99172	9.7
89.68051	1.6
99.04388	3.6
113.02415	1.8
127.03922	3.0
139.03824	2.2
149.05989	5.5
149.84874	2.2
151.07614	3.3
159.04411	3.0
162.05780	1.7
172.47667	1.8
179.07007	2.8
189.12794	2.6
195.11882	1.8
205.16055	2.2
207.10237	4.1
215.14516	2.8
217.15950	14.4
228.33330	2.0
233.15358	5.9
235.17007	3.8
245.15489	18.5
261.14914	3.7
263.16544	8.4
289.14377	4.9
296.20990	2.2
307.06125	2.1
307.15494	5.8
333.13477	10.6
351.14511	100.0
352.14893	4.5
407.13470	69.4
408.14075	3.8
443.11179	27.2
460.88266	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46568	5.2
68.04819	6.8
71.11536	6.2
72.99161	10.2
87.46552	6.6
88.36884	7.6
88.65364	7.0
137.83366	7.4
142.66020	9.0
351.14529	32.8
367.13803	9.5
407.13290	10.7
443.11197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1115
Annotation	Artomunoxanthentrione
Peak:m/z	Relative Intensity
57.32843	4.4
59.01247	47.4
60.10902	4.6
60.34042	4.8
61.98702	16.9
67.40196	5.2
71.01258	12.9
72.99192	19.1
74.02734	5.2
81.87126	5.3
82.93265	5.5
83.04926	5.3
85.02825	7.7
87.00739	6.2
89.02303	15.1
89.42831	4.8
93.03362	6.1
96.95901	9.3
99.08109	5.4
100.68385	6.8
101.02335	10.0
109.33272	5.6
112.96861	5.5
113.02333	10.0
119.03369	11.5
128.07033	8.3
129.09137	7.9
129.58743	6.2
135.28278	6.3
139.55562	6.6
142.33173	5.2
160.06462	5.7
169.08574	14.5
173.04518	12.5
185.65645	5.9
193.05029	10.5
217.15971	10.7
219.13670	7.8
220.34169	6.1
229.16119	7.1
235.16913	7.8
237.15004	13.8
263.12994	11.3
270.01791	7.2
271.13492	20.2
272.09799	7.4
281.13840	11.9
288.17896	7.1
304.86969	6.4
323.15082	6.5
333.13477	14.5
351.14389	59.9
363.14734	11.8
407.13513	36.4
443.05591	12.6
443.10913	100.0
443.15536	12.6
444.11661	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	443.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02842	10.6
59.01234	7.6
61.98705	1.9
70.02831	2.2
71.01231	4.1
72.00771	2.5
72.99162	9.6
73.02812	1.7
74.02328	25.9
75.00766	1.9
78.95795	2.1
82.02837	2.1
83.04866	2.0
84.00730	1.7
84.04424	2.1
86.02335	9.9
86.05976	3.3
87.00755	4.2
87.05499	6.4
89.02314	3.2
90.00063	1.7
91.73232	2.5
93.03328	1.8
96.95883	15.1
96.96811	2.7
97.03965	2.1
99.05499	24.6
101.02308	4.6
101.07062	5.1
102.05461	4.7
107.04864	2.6
109.03939	4.0
111.05508	2.5
112.03903	5.3
113.02325	3.7
115.00237	2.0
123.04397	2.0
123.05533	1.7
124.03914	6.0
127.05019	5.6
128.03403	66.1
128.34793	1.8
135.04416	2.2
135.05475	4.7
137.07095	2.6
138.05531	3.1
141.06639	5.1
143.03380	4.5
143.04506	87.1
145.06058	6.2
146.04474	8.8
148.29498	2.0
153.06630	5.8
160.00629	23.9
166.09737	4.8
167.04568	6.1
167.08197	4.3
171.11702	4.2
175.02393	6.2
177.03307	7.9
179.04469	16.5
179.07043	2.5
181.06125	3.0
184.10886	1.9
185.05688	3.0
197.05682	3.0
204.04285	2.8
210.08804	18.8
231.49471	1.9
236.77824	1.8
237.15007	5.5
254.07817	29.8
262.30664	1.8
272.08896	48.1
281.13995	17.2
288.06555	16.4
301.14175	1.9
305.14047	2.7
306.07684	100.0
323.14847	2.8
341.10757	5.4
351.14584	3.7
369.15598	5.5
393.12146	2.0
443.11743	11.9
443.21649	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	443.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	2.3
59.01240	4.0
67.43517	0.5
69.03315	2.1
71.01238	3.0
71.04878	13.0
72.99166	100.0
73.00838	1.5
73.02803	2.3
73.99505	0.9
74.89762	0.5
75.00730	1.0
79.95567	0.5
81.03313	0.8
83.04890	1.0
85.02808	2.9
85.59338	0.5
87.00715	0.6
89.02293	1.4
93.03298	0.8
95.04874	3.2
96.95880	2.8
97.02815	1.8
97.06449	1.6
99.04391	2.9
100.90419	0.7
101.02302	0.8
107.04880	1.4
108.02048	1.3
108.35339	0.5
108.99164	0.5
109.02810	2.9
109.06448	2.1
109.91904	0.5
111.04376	1.5
111.08026	1.3
112.01540	0.6
113.02311	9.5
117.06947	0.6
119.03378	0.8
119.04890	1.6
121.06483	1.6
122.03628	1.9
123.04372	2.8
123.08061	0.9
125.02313	9.3
126.02634	0.6
133.06476	3.2
134.03682	0.6
135.04396	1.7
135.08032	3.0
137.02332	1.7
137.05989	0.5
137.09564	1.3
139.03874	1.5
139.07545	0.8
139.11172	0.7
141.01799	0.8
147.04462	0.6
147.15833	0.5
149.05930	1.4
149.09624	1.5
151.07547	1.9
151.11137	1.6
152.01057	2.4
153.01855	1.0
159.08061	1.1
161.05943	1.1
161.09636	1.4
163.07530	1.0
163.11191	1.7
164.98236	2.5
165.05469	2.6
165.09152	0.6
167.03395	3.9
167.10687	0.6
169.12262	1.3
173.09613	2.2
175.11200	2.3
177.05473	0.9
177.09120	1.2
177.12787	1.1
178.02477	0.5
179.03494	0.7
179.05507	0.6
179.07045	1.2
179.10727	1.6
181.12329	2.7
182.99341	1.6
185.09590	0.5
187.07578	1.1
187.11218	1.4
187.14734	0.9
189.09158	1.3
189.12831	1.3
190.99831	1.5
191.10716	1.3
193.08734	0.5
193.12238	2.5
195.10153	1.6
195.13803	0.7
197.11714	0.9
201.09119	1.0
201.12804	1.5
203.10753	1.6
205.08858	0.6
205.12297	6.6
205.15935	1.7
206.75931	1.5
207.10168	3.6
207.13881	1.8
209.11766	1.1
213.12764	0.6
215.06958	0.8
215.14386	4.0
217.08713	0.6
217.15912	1.6
219.02888	1.0
219.10350	0.8
219.13924	1.8
221.04512	1.4
221.11746	1.8
223.09711	2.4
223.13370	5.9
227.14560	0.7
231.13876	4.0
233.11787	2.2
233.15434	4.2
235.09673	0.6
235.13370	0.8
235.17021	6.0
236.67688	1.0
237.11359	0.8
243.14087	0.9
245.00972	1.0
245.11633	0.6
245.15442	6.4
246.57579	0.7
247.17064	0.8
249.14955	0.7
251.12883	19.6
252.13113	0.8
253.53032	0.6
259.13507	0.6
261.15005	5.4
263.12915	6.8
263.16437	4.2
264.13004	0.8
268.23007	0.6
269.13974	1.8
271.13449	0.9
273.15033	1.4
275.16724	0.6
277.14529	1.1
279.16022	3.7
281.13937	1.9
289.14465	6.5
290.14923	0.7
291.12582	0.9
291.16061	1.8
293.13922	0.9
300.18298	0.5
301.14426	0.8
305.06580	0.7
305.13931	5.8
307.15530	16.7
308.15710	0.9
309.09766	1.6
317.13937	1.2
319.15466	1.5
323.14911	4.1
325.16629	2.8
333.13351	1.4
335.15088	2.5
337.16614	1.4
345.12231	0.6
351.14508	34.7
352.14859	1.8
353.16016	1.3
363.14487	2.9
369.15567	63.6
370.15891	3.3
381.08359	7.1
381.15552	3.0
397.14905	1.3
407.13394	0.9
425.14578	54.9
426.14911	4.0
443.15558	90.2
444.15994	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	443.156
Annotation	Hyuganoside IV
Peak:m/z	Relative Intensity
51.87698	0.3
56.95951	0.9
57.03316	0.4
59.01241	5.7
61.67545	0.3
61.98692	0.5
64.42574	0.8
69.03302	0.9
71.01244	3.3
72.99176	0.5
73.02813	0.9
73.11794	0.3
83.04887	1.9
85.02808	0.7
87.00732	1.7
89.02313	2.0
91.02915	0.4
93.03313	21.2
95.04893	1.0
96.95860	6.1
97.06461	2.4
97.07010	0.4
99.08041	1.5
101.02313	1.5
107.04876	3.0
108.02041	1.0
113.02312	0.9
115.00259	0.7
116.92720	1.0
119.03372	0.5
119.04949	0.7
121.02805	4.4
122.03613	0.6
123.04368	0.6
128.03419	1.0
130.16753	0.4
132.02927	0.6
135.04417	0.6
135.08075	1.0
137.02304	1.1
139.07529	0.8
143.04509	0.6
143.07002	1.0
145.06393	0.5
147.08078	1.2
149.09587	0.5
151.07512	0.6
152.00992	1.9
159.08054	0.8
161.04431	0.6
161.88977	0.4
167.03389	2.4
173.04582	0.7
173.09692	1.0
175.02365	0.5
175.11188	11.7
177.47160	0.5
183.08070	1.2
189.09135	1.2
191.10675	1.6
193.05061	1.0
193.12268	7.9
199.07564	0.7
201.09146	7.9
217.08559	0.6
219.10213	36.7
220.10567	1.1
237.11287	100.0
238.11610	3.8
245.11934	1.0
251.12656	0.6
261.11292	0.7
263.09253	27.0
264.09674	0.8
273.67947	0.4
281.10312	40.3
282.10629	1.8
305.10239	1.0
306.07495	0.4
309.22983	0.6
341.10754	0.6
369.14822	0.6
383.11462	0.5
399.16336	2.6
443.15421	21.3
443.20380	3.0
443.25354	1.0
444.15622	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	443.156
Annotation	Hyuganoside IV
Peak:m/z	Relative Intensity
55.04054	1.7
55.04339	0.9
56.74648	0.4
59.01244	35.3
59.02444	0.7
59.81104	0.3
60.34035	0.4
60.36882	0.4
60.81960	0.4
71.01234	1.7
76.85428	0.4
78.95762	0.5
85.02842	0.6
87.05451	0.5
87.10780	0.5
88.03912	0.6
89.02277	0.7
101.02309	0.7
106.04115	1.3
107.04873	1.7
113.02309	0.6
119.04884	2.7
121.02831	1.5
121.06456	3.0
128.03436	2.4
133.06454	0.5
147.07971	0.6
149.09575	1.3
159.08081	4.1
161.04404	0.6
175.07625	2.4
175.11195	20.3
176.11484	0.8
177.09125	97.3
177.15282	0.9
178.09464	2.5
219.10223	14.0
219.13676	0.5
221.08191	5.0
237.11311	15.9
237.13676	1.0
263.09247	3.8
281.10318	100.0
282.10571	2.8
282.41556	0.5
359.49875	0.5
361.25189	0.5
399.16721	2.5
425.14804	0.6
443.15604	44.5
444.15723	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1562
Annotation	Rossicasin B
Peak:m/z	Relative Intensity
57.03308	2.7
59.01242	7.8
60.70660	0.6
65.56754	0.5
66.55190	0.6
67.01754	0.9
69.03313	2.7
71.01234	6.2
71.04877	1.9
72.98782	1.3
72.99168	18.3
73.02814	4.0
74.98903	0.6
75.00745	0.8
83.01242	1.3
83.04868	4.3
85.02801	3.9
85.06440	0.9
86.03595	0.9
87.00738	1.2
87.04377	11.7
89.02286	4.4
89.04729	0.8
93.03321	2.0
95.01280	1.0
95.04889	1.4
96.95860	0.8
97.06454	1.5
98.28425	0.8
99.04371	2.3
100.98640	0.6
101.02297	3.8
101.05948	9.7
101.25922	0.6
109.02820	1.8
111.04400	1.6
113.02306	3.7
113.35212	0.7
116.92727	4.2
117.01810	0.8
119.03332	1.5
119.04874	1.0
120.05704	0.8
121.02802	1.0
121.06446	1.1
123.04390	0.7
123.08047	1.7
125.02337	1.1
125.09599	1.2
131.03387	3.0
137.02330	1.2
138.03110	1.0
139.03894	0.9
149.02409	1.5
149.05989	9.1
151.03903	1.3
151.07562	3.7
151.11179	6.7
159.04420	2.2
161.04413	0.8
165.12775	3.3
166.02640	1.0
167.03372	0.8
167.07021	1.0
167.14267	1.0
173.04514	2.4
177.05489	9.3
177.12773	2.9
179.10742	1.8
179.14413	2.1
181.12358	1.0
193.05098	1.5
193.12303	3.4
195.06528	1.1
203.03526	1.3
205.12315	1.3
207.13857	1.9
207.17522	1.8
211.06032	0.7
214.06474	1.4
216.11555	2.6
217.12268	0.9
217.15930	4.1
219.14084	0.7
219.17574	2.3
225.11348	0.9
233.11888	2.1
233.15497	1.6
235.16953	5.0
239.05632	1.4
239.12851	1.6
245.15456	6.8
247.13420	0.9
260.10547	2.7
261.14838	1.4
263.12952	2.2
263.16556	3.6
271.13385	2.9
277.14386	1.9
279.16092	3.1
281.13959	3.9
289.14539	3.5
291.16232	0.8
305.14032	3.6
307.15506	6.5
323.14987	1.1
325.16595	6.9
333.13507	3.1
335.15204	0.9
351.14505	41.8
352.14969	1.4
363.14554	1.1
369.15536	15.0
370.15598	1.0
381.15424	3.5
399.08691	1.6
407.13458	2.1
425.14462	8.5
443.15045	100.0
444.15625	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	443.156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51585	0.2
54.64870	0.5
57.03313	0.3
58.10778	0.2
59.01243	7.5
62.77453	0.2
66.25530	0.3
67.01704	0.4
69.03293	0.6
69.51286	0.3
71.00867	0.5
71.01241	7.9
71.04902	0.4
72.99169	2.7
73.02795	1.4
81.03310	0.6
83.01215	0.5
83.04858	0.3
85.02803	1.4
87.00740	0.6
89.02296	8.3
91.70895	0.3
93.03314	0.8
95.01268	0.3
96.95867	1.9
97.02786	0.8
98.95452	0.5
99.00741	1.5
101.02304	3.1
107.04894	0.5
108.02032	1.2
109.02798	1.6
111.04363	0.6
113.02324	1.6
115.03923	0.5
116.92707	0.9
117.01843	0.4
117.03397	0.4
119.03363	0.9
119.04910	0.5
121.02839	0.8
121.06426	0.3
122.03593	1.5
123.00894	0.3
125.02320	4.3
127.07408	0.4
131.03368	1.5
131.04890	0.5
133.06459	0.4
133.87981	0.4
134.03630	0.5
135.04372	1.3
137.05980	0.6
139.03905	0.4
145.02859	0.6
147.04372	1.6
148.05186	2.4
149.01062	1.1
149.05968	100.0
150.06322	2.4
151.03947	0.5
152.01062	1.1
153.01776	1.1
161.02390	0.4
161.04445	0.7
163.03967	0.5
165.01761	0.4
166.02599	0.9
167.03407	1.2
173.02348	0.9
173.04486	0.6
177.01791	0.5
177.05484	8.0
179.03400	0.9
191.05511	1.1
193.05014	1.0
201.01941	0.9
211.06033	0.3
212.03204	0.5
217.01346	0.6
217.12289	0.4
217.15851	0.5
219.13887	1.1
233.06635	3.4
239.05615	1.1
245.00879	4.0
245.11783	0.4
245.15433	0.6
245.31689	0.3
255.02995	0.4
263.12848	0.7
275.57703	0.3
277.14484	0.5
281.13992	0.7
287.02048	0.5
289.14487	1.6
293.08795	6.2
305.14240	1.6
307.15512	1.2
317.10373	1.1
323.14780	0.5
351.14529	14.3
352.14764	0.7
361.09293	0.6
369.15121	0.5
370.84045	0.4
425.14606	2.2
425.47668	0.3
443.06735	0.4
443.09158	0.4
443.14691	1.6
443.20309	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	443.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	1.9
59.01234	10.3
71.01228	4.3
71.04876	14.4
72.97530	1.7
72.99166	100.0
73.02794	5.8
83.04875	2.0
85.02808	2.9
89.02303	3.2
94.33033	1.4
95.04865	3.3
96.95855	8.9
97.02808	2.7
97.06434	2.8
98.34621	1.7
99.04357	2.0
101.02309	2.5
108.02023	3.2
108.90545	1.3
109.02811	4.4
109.06397	2.7
111.00740	2.1
113.02309	12.9
119.04876	3.1
123.04360	4.1
125.02331	10.9
133.06474	2.1
135.04405	1.8
135.08138	2.8
139.03870	2.9
140.55182	1.6
147.04355	2.4
149.05969	1.6
149.09634	3.4
149.10818	1.3
151.07553	1.8
151.11247	1.6
152.01018	7.1
153.01817	3.9
161.09673	2.5
164.98177	3.4
165.05501	1.6
167.03392	7.5
173.09554	2.7
175.11188	3.2
177.05414	3.5
179.07014	1.7
179.10692	2.9
181.12299	2.7
184.55212	1.6
189.08986	2.4
190.99796	1.8
191.03391	1.8
193.12170	2.2
203.10748	1.9
205.12233	5.4
205.15959	2.1
207.10181	5.5
215.14293	3.2
217.15900	1.6
219.13937	1.6
223.09784	2.2
223.13333	4.0
231.13800	2.1
233.11800	2.5
233.15395	4.9
235.16989	6.2
245.00868	3.9
245.15488	5.3
251.12889	20.5
261.14914	5.4
263.12811	3.9
263.16586	2.9
279.16080	2.8
287.02127	2.2
289.14432	6.9
305.13818	5.0
307.15494	18.5
319.15384	1.9
323.15070	3.5
325.16452	3.5
333.13397	1.5
335.14987	2.5
337.16452	2.5
351.14484	43.6
369.15561	79.0
370.15894	5.6
381.08563	7.2
381.15503	1.9
397.64621	1.8
407.13477	2.2
425.14590	62.1
426.15134	2.7
443.15518	100.0
444.15701	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	443.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64874	0.9
54.65098	0.5
55.24453	0.4
57.03292	0.5
60.54343	0.9
60.54586	0.4
67.84269	0.4
69.03308	1.4
70.87314	0.4
71.01241	7.3
71.04883	1.2
72.99165	18.6
73.02808	2.4
73.58704	0.4
73.70795	0.4
73.99497	0.5
81.03319	0.6
83.04889	1.0
85.02795	0.9
87.00732	0.6
87.04372	0.5
93.03307	1.0
95.04867	0.8
96.95879	0.6
97.02795	2.0
97.03354	0.5
99.04373	0.7
101.02293	0.7
107.04889	2.0
108.02043	1.0
109.02809	1.0
111.04361	1.8
112.25366	0.4
113.02301	4.9
114.02643	0.7
116.92721	3.4
117.01788	1.6
119.04845	0.6
121.02824	1.1
121.06454	1.1
121.10050	0.5
121.14902	0.4
123.00811	0.4
123.04382	1.3
123.08021	2.0
124.01496	0.6
125.02297	6.1
125.09625	0.5
126.02619	1.0
127.02798	0.5
133.06500	2.5
134.03606	0.9
135.04422	0.8
137.02368	0.6
138.03114	2.5
139.02974	0.5
139.03893	2.8
141.01814	2.1
145.02811	0.7
147.04442	0.6
148.05173	1.1
149.02370	2.4
149.05965	42.8
149.09587	1.0
150.06299	0.7
151.03873	4.0
151.07541	1.9
151.11174	0.7
152.01044	0.8
153.01794	0.6
159.04440	1.4
163.03864	0.6
163.11128	0.5
165.01848	0.7
165.05434	1.0
166.02603	3.4
167.03424	2.7
167.06985	0.8
173.02313	0.9
175.03894	0.7
176.04694	0.8
176.99414	0.7
177.05482	46.2
177.12578	2.1
178.05818	1.7
179.10678	1.5
179.14346	0.5
188.08327	0.6
189.12756	0.9
191.14410	0.5
193.05008	4.9
195.06543	2.4
201.12862	0.5
203.07306	0.5
205.12424	0.6
207.10133	0.6
207.17468	0.8
211.06075	1.3
213.05534	0.7
214.06306	0.7
217.08691	0.7
217.12312	1.5
217.15845	2.7
221.04362	0.7
227.14404	0.9
233.11726	1.5
233.15437	3.0
235.13342	0.9
235.16982	1.9
239.05589	7.4
245.00826	2.0
245.11699	2.4
245.15489	4.1
246.57428	0.5
251.12822	0.5
257.15472	0.7
261.11252	0.7
261.14963	3.1
263.16541	1.2
271.13321	2.1
277.14478	2.3
279.12469	1.0
279.16037	2.5
287.12881	0.5
289.14447	7.3
305.13965	14.3
306.14478	0.5
307.07056	0.7
307.12204	0.4
307.15515	7.3
315.12341	0.9
323.14896	4.2
333.13535	3.6
351.14508	100.0
352.14850	6.0
369.15146	3.3
381.15417	0.6
385.27158	0.5
425.14551	13.6
426.14813	0.6
442.14493	2.3
443.14655	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64888	0.9
57.03266	0.5
58.66934	0.5
59.01238	1.3
59.69781	0.5
60.54339	1.0
69.03297	1.5
71.01241	7.6
71.04865	2.4
72.99165	19.0
73.02795	3.7
73.83363	0.5
74.99609	0.6
77.87867	0.5
81.03291	0.8
85.02810	0.8
93.03336	1.1
95.04887	1.6
96.95861	3.9
97.02809	2.2
98.03144	0.9
99.00764	1.0
99.04378	1.0
99.92435	1.8
107.04886	1.8
108.02042	2.2
109.02789	2.7
111.04382	3.8
113.02295	6.4
116.92728	17.4
117.01799	4.9
121.02790	1.6
123.04376	2.1
123.08017	2.1
124.01557	1.3
125.02325	10.0
125.09532	0.8
126.02630	3.2
127.02783	1.0
133.06432	1.9
134.03604	1.1
135.04391	1.3
137.02321	2.6
138.03180	3.3
139.03886	4.7
141.01811	2.4
147.04376	0.7
148.05197	1.4
149.02261	3.0
149.05971	42.2
149.09567	1.4
150.06277	0.8
151.03923	3.3
151.07541	2.1
151.11201	0.9
152.01016	2.2
153.01761	0.7
159.04401	1.6
161.05948	0.9
162.03130	1.1
163.03940	0.9
163.11157	1.3
164.01112	0.9
165.01779	1.7
165.05501	0.8
166.02597	2.5
167.03404	4.9
167.07191	0.8
173.02417	0.9
175.03918	1.5
176.04634	0.9
177.05481	48.1
177.11444	0.8
177.12718	3.5
178.02464	0.8
178.05803	1.9
179.03569	0.8
179.10602	1.2
179.14331	0.7
181.03844	0.8
189.12784	0.8
191.14348	0.9
193.04991	4.7
195.06595	2.5
201.01839	1.0
203.10562	0.7
205.12294	1.1
215.14391	1.5
217.12320	1.8
217.15826	3.1
219.13783	1.4
221.04405	1.0
233.11810	1.3
233.15463	1.9
235.16982	2.0
239.05562	6.4
245.00841	3.8
245.11842	2.6
245.15442	3.0
260.10495	1.3
261.11386	0.7
261.15012	2.3
263.16440	1.4
271.13312	1.2
275.02289	1.1
277.14493	1.4
279.12167	0.8
279.15945	2.9
289.14487	7.6
305.06683	2.0
305.13965	14.9
305.17484	0.8
306.07010	2.5
306.14420	1.2
307.07150	3.9
307.15509	6.6
315.12503	1.3
323.15036	4.3
333.13455	3.4
351.14505	100.0
352.14764	4.4
368.14047	1.4
369.14774	3.9
381.15125	0.7
425.14587	13.4
426.15134	1.2
442.14148	3.3
443.14450	7.8
443.19504	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	2.0
58.00436	1.1
59.00042	2.1
59.01243	100.0
59.02568	1.5
60.37609	0.7
64.85281	0.7
65.77456	0.8
70.97578	0.8
70.99663	1.0
71.01241	55.8
71.04874	0.8
71.44086	0.8
72.99165	11.5
73.02796	4.0
83.01239	3.9
83.04855	0.8
85.02808	10.4
87.00734	4.3
89.00046	1.4
89.02298	71.5
90.92241	0.8
91.70561	0.7
93.03311	2.5
95.01244	3.5
96.95881	3.8
97.02816	2.6
99.04371	1.8
101.02304	46.4
108.02027	1.2
109.02840	3.1
111.04357	1.1
113.02303	26.0
114.02700	1.1
116.92707	2.4
117.01790	1.3
119.03368	38.8
123.04395	1.6
125.02320	3.2
131.03365	4.2
134.03563	1.1
138.03149	0.9
139.03896	2.2
139.35855	1.1
141.01833	1.2
143.03372	4.1
145.02864	1.4
146.03625	2.7
146.32713	1.0
147.04420	2.5
149.02373	1.0
149.04567	1.9
149.05984	18.2
150.06531	0.9
151.03860	1.1
151.07542	0.8
158.03625	1.2
159.04436	6.7
161.02382	4.3
161.04465	3.6
162.03195	0.9
166.02652	1.2
167.03400	2.2
167.04892	1.4
169.49467	1.2
171.04427	2.7
173.02316	1.2
173.04477	2.6
174.03125	10.1
175.03912	6.2
177.05487	23.5
177.12788	1.5
179.05554	8.0
182.03659	1.1
183.04506	2.3
185.06358	1.0
187.03978	5.2
189.12816	1.2
193.05058	2.4
195.04546	1.1
195.06650	0.9
196.05260	3.4
197.06052	3.1
199.03860	2.1
202.02646	6.0
203.03423	10.0
211.04045	4.5
211.05841	1.1
213.05542	1.2
217.16039	1.0
217.98462	1.2
219.13860	4.4
223.03920	1.4
224.04686	1.1
227.03455	6.6
229.05109	3.0
234.58551	0.9
239.03383	1.3
239.05661	3.2
241.05124	1.0
245.00917	2.3
245.11833	1.5
245.15521	1.7
255.03056	1.5
261.14807	1.1
263.12939	4.5
279.15985	1.0
281.14056	3.0
288.99988	1.6
289.14566	4.1
295.02606	2.0
299.07251	1.6
299.53708	0.9
305.13910	4.7
307.15515	2.0
313.08511	1.2
315.10123	1.2
323.14914	1.6
327.06671	2.7
328.07443	5.1
329.08279	1.9
333.13593	2.3
339.01459	1.0
341.08243	3.1
343.09921	2.7
351.14529	35.9
352.14880	2.6
353.08167	1.5
367.01144	2.7
369.07758	1.1
369.15225	2.5
371.09372	2.0
387.08777	13.0
393.50406	1.0
399.08881	3.2
415.08139	7.9
425.14688	5.8
443.07803	77.6
443.19351	54.4
444.08127	10.9
444.19739	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	443.1923
Annotation	Plucheoside C
Peak:m/z	Relative Intensity
55.01735	0.7
58.00470	1.1
58.99954	1.3
59.01243	75.2
59.02406	1.5
60.01543	0.9
68.55250	0.9
69.03312	7.6
71.01240	70.1
71.02759	1.4
72.99174	2.0
73.02802	12.3
73.07610	0.8
75.00735	2.4
81.02887	0.8
81.03295	5.0
83.01244	6.2
85.02803	10.0
87.00716	2.1
88.99923	1.2
89.02296	100.0
95.01241	3.1
97.02811	12.2
99.00737	17.4
99.04379	2.6
101.02308	18.2
111.00764	2.3
113.02312	7.9
115.03871	8.3
119.03391	3.8
122.28601	1.0
125.02314	46.5
127.03925	1.2
131.03378	14.0
136.05237	1.7
143.03375	4.0
149.03294	0.9
149.04465	17.0
149.09610	88.0
150.09930	2.3
161.04472	4.1
173.04347	1.0
174.29358	1.0
191.05566	8.3
219.13892	7.5
233.06650	44.8
234.07039	1.4
263.13007	3.1
293.08810	50.8
294.09259	2.5
302.58380	0.9
314.48059	1.0
399.20102	1.6
443.19272	19.1
444.19366	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	1.3
56.58395	0.3
57.03306	1.5
59.00040	0.7
59.01243	35.7
59.02547	0.5
68.21973	0.4
69.48763	0.4
71.01239	20.2
72.99150	1.5
73.02802	4.8
75.00715	0.5
75.30283	0.5
81.03316	0.5
83.01234	4.0
83.04896	0.5
85.02806	7.4
87.00714	2.5
89.01759	0.8
89.02299	16.3
91.72710	0.9
95.01232	1.4
96.95251	1.1
96.95868	17.6
99.00719	1.8
101.02303	18.5
102.80761	0.4
109.02798	0.9
111.04358	0.9
113.01548	0.7
113.02308	9.3
119.03361	6.8
119.79443	0.4
136.99055	0.6
146.30434	1.1
153.01839	0.5
159.02924	0.6
161.04449	1.8
167.03409	0.9
171.11650	0.4
178.99857	0.5
187.12846	0.4
189.12761	0.8
201.12729	0.6
219.13878	0.9
237.14957	1.6
245.00952	0.5
245.04582	0.6
248.58664	0.5
263.13275	0.6
292.34747	0.5
363.10550	0.6
443.19238	100.0
444.19479	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	443.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.8
56.53461	0.8
57.03319	1.4
58.00452	1.9
59.01241	100.0
59.02431	1.6
71.01238	55.1
71.02855	1.2
71.04861	1.3
72.99167	9.4
73.02805	2.7
75.00753	0.8
75.58630	0.8
82.91686	0.8
83.01241	3.3
83.04893	1.6
85.02806	10.7
87.00717	2.9
89.02296	66.2
89.04555	0.9
93.03309	1.9
95.01243	2.5
96.95868	2.1
97.02820	1.9
99.00701	0.8
99.04391	0.9
101.02298	41.7
108.02040	1.0
109.02825	3.4
111.04388	1.6
113.02313	24.5
113.03104	1.6
116.92761	1.2
117.01823	1.1
119.03368	38.0
121.02842	1.1
123.07973	1.3
125.02312	2.2
131.03375	3.4
134.03636	1.0
139.03957	1.0
143.03383	3.4
146.03630	2.4
147.04381	1.3
149.02370	1.7
149.04573	1.9
149.05968	17.4
151.03902	2.5
159.04445	5.4
161.02332	3.9
161.04460	4.5
161.05859	1.4
167.03369	2.7
167.04866	1.3
171.04364	2.2
173.04492	2.4
174.03123	8.7
175.03894	5.5
176.23015	0.9
177.05481	21.2
179.05527	8.1
183.04439	2.5
187.03947	5.0
193.05095	1.2
195.04660	1.7
195.06548	1.7
196.05244	1.8
197.05995	2.8
199.03934	1.6
202.02557	4.8
203.03438	7.7
211.03951	4.5
213.05562	2.4
217.12244	1.4
217.98509	1.0
219.13919	3.4
221.04559	1.3
223.04193	1.5
227.03461	8.3
228.04303	1.0
229.05064	4.0
235.16994	1.0
239.03488	1.4
239.05617	2.2
245.00804	1.5
245.11774	1.1
245.15591	2.1
255.03104	1.5
263.12836	5.4
279.15952	1.6
281.13858	4.5
289.14511	3.1
295.02777	1.2
305.13873	5.3
307.15503	1.9
311.07233	1.4
313.08829	1.3
327.06616	3.2
328.07578	4.3
329.08218	2.6
331.49643	1.0
341.08310	3.6
342.08740	1.4
343.09802	2.9
351.14517	35.6
352.14679	2.1
353.08163	1.5
367.01028	2.7
369.15491	2.4
371.09262	1.7
381.07617	1.5
387.08755	13.4
388.09259	1.2
399.08865	4.9
415.08295	6.6
425.14563	5.4
443.07816	73.1
443.19379	50.1
444.08054	8.0
444.19693	2.6
457.40439	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.6
57.03319	1.5
59.00052	0.4
59.01243	17.7
59.74826	0.3
67.01748	4.0
68.84819	0.3
69.03319	0.6
71.01239	11.8
71.04880	0.4
72.99165	9.1
73.02802	3.8
77.44427	0.3
81.03335	0.4
83.01243	2.7
83.04897	1.1
85.02814	5.5
85.06439	2.5
87.04357	1.9
89.02296	4.9
93.03332	0.6
95.01249	1.4
96.95844	0.9
97.02820	0.5
97.06456	1.6
99.00745	1.3
99.04431	0.6
99.92471	0.5
101.02300	8.0
101.05962	1.0
107.04877	0.7
109.02822	0.8
111.00748	1.0
111.04404	1.1
113.02293	4.3
116.92716	6.9
117.01823	0.8
119.03378	1.8
121.02863	0.4
123.04355	0.6
123.72254	0.4
125.02333	0.9
129.05426	0.8
131.03391	0.7
135.04413	0.8
137.02296	0.4
137.05972	1.1
138.03169	0.6
139.11130	0.4
141.01854	0.4
146.30394	0.6
147.04523	0.4
149.04787	0.6
149.05956	4.9
149.09599	1.2
151.07603	0.8
151.11151	4.5
152.01038	0.5
153.01855	0.6
165.12769	0.5
166.02647	0.5
167.03412	1.0
167.04834	0.4
169.12276	1.5
173.04535	1.3
177.05463	6.2
177.12781	0.8
179.10667	0.6
184.47610	0.4
193.05058	0.8
193.12305	0.5
195.10223	0.4
197.44409	0.4
233.12047	0.4
235.17049	0.7
237.14925	0.5
239.05565	1.0
245.00725	0.4
245.11775	2.1
245.15500	0.9
260.10617	0.4
261.11609	0.4
261.14908	0.6
263.12881	6.7
263.15973	0.5
263.16855	0.5
265.14679	0.5
271.13327	0.4
277.14520	0.5
279.16095	0.4
281.13950	11.5
282.14374	0.6
285.03955	1.0
289.14587	1.0
301.57336	0.4
305.14087	1.5
305.23428	0.4
307.15500	1.7
311.14725	0.5
319.15390	0.5
323.15033	0.6
325.16544	0.5
333.13504	1.1
337.16702	0.5
349.50391	0.4
351.14490	14.1
352.15048	0.6
369.15704	1.7
381.15521	0.5
407.13992	0.4
425.14539	1.5
425.18564	1.5
443.19434	100.0
444.19940	4.3
460.54578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.9
55.19160	0.3
57.03314	2.2
58.00467	0.4
59.01244	16.2
67.01746	4.1
69.03336	1.0
71.01238	12.6
71.04903	0.5
72.69311	0.4
72.99169	9.5
73.02804	4.0
73.03161	0.5
76.28426	0.3
83.01246	2.5
83.04887	0.9
85.02811	6.1
85.06451	2.0
87.00757	0.8
87.04372	2.7
89.02299	7.6
93.03350	1.0
94.17756	0.3
95.01283	1.0
95.04915	0.6
96.95859	0.8
97.06483	1.7
99.00785	1.1
99.04412	0.8
99.92425	0.5
101.02309	8.5
101.05966	1.9
108.32886	0.3
109.02831	0.8
111.00777	0.9
111.04421	1.0
111.08052	0.7
113.02312	4.6
115.93135	0.4
116.92726	8.2
116.93507	0.5
117.01852	0.9
117.92763	0.5
119.03410	1.6
119.04887	0.5
121.02857	0.4
123.04408	0.8
123.08052	0.5
125.02352	1.1
128.90944	0.3
131.03427	0.9
133.06520	0.5
134.93713	0.4
137.06058	0.6
138.03055	0.4
141.01860	0.4
141.12759	0.7
149.02344	0.5
149.04723	0.7
149.05963	6.4
149.09726	1.3
151.07582	1.0
151.11162	4.5
152.01100	0.5
159.04436	0.6
161.04530	0.4
163.03938	0.5
165.12843	0.5
166.02763	0.4
167.03439	0.5
169.12367	1.3
173.04515	0.7
175.11285	0.4
177.05502	5.6
177.12813	0.4
179.14400	0.6
193.01360	0.5
193.05093	1.4
193.12434	1.2
195.06700	0.6
211.06126	0.8
216.11562	0.7
217.12381	0.5
217.16048	0.8
219.13977	0.6
233.11946	0.5
233.15491	0.5
235.17117	0.8
237.15218	0.6
239.05647	0.8
245.11861	3.1
245.15559	1.3
263.12863	7.1
263.16589	0.8
265.14673	0.7
271.13507	1.0
277.14664	0.6
279.16071	0.5
281.13959	12.4
285.04385	0.5
289.14719	1.1
305.14206	1.6
307.15720	1.7
323.15228	0.8
325.16794	0.7
333.13724	1.2
341.11014	0.5
351.14548	15.1
352.15027	1.4
369.15634	2.7
381.15594	0.5
394.31171	0.4
407.13916	0.6
425.14807	2.4
425.19339	0.8
432.89084	0.5
443.02832	1.5
443.19629	100.0
444.20074	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34433	0.3
50.64465	0.4
51.63513	0.3
54.15283	0.4
59.01184	0.5
59.29768	0.4
59.84309	0.3
62.75752	0.3
67.80364	0.4
71.01169	0.6
72.99100	1.0
72.99466	0.4
73.22401	0.4
73.22762	0.4
81.03226	1.0
83.04800	0.7
93.89347	0.7
95.01199	0.5
99.07912	0.8
101.05872	0.4
102.89337	0.5
105.03220	0.4
107.04801	0.5
108.01915	1.7
109.02707	2.8
115.80334	0.4
119.63918	0.4
123.00657	1.1
123.04369	2.0
124.01527	21.8
124.55732	0.5
125.02314	18.7
125.03185	0.6
133.02739	0.8
133.06320	0.4
134.03549	0.8
135.04391	4.8
136.01384	1.3
137.02327	5.5
138.03122	3.2
139.03885	14.8
139.04904	0.5
143.15031	0.4
145.06348	0.5
147.08032	17.8
149.05933	0.4
150.03113	16.9
151.03894	7.8
152.00929	0.6
157.06396	1.0
161.02243	1.0
162.03049	0.9
163.03767	0.9
165.04181	0.5
165.05461	6.8
170.07248	0.6
171.07941	0.7
173.05838	1.2
174.02980	0.6
175.03886	2.3
176.04684	0.5
177.01785	0.6
177.05438	0.5
178.02492	0.9
179.03416	3.2
197.09607	0.4
198.10278	0.6
199.07513	1.1
199.11128	0.5
200.04588	0.5
201.05386	0.9
204.04185	0.5
212.04546	0.5
213.05371	0.5
213.09062	0.8
213.12779	4.1
215.07014	0.9
217.12238	0.7
217.15895	0.4
223.07552	0.7
225.05408	0.7
231.13870	35.6
232.14096	1.3
237.09149	0.8
239.10664	0.4
241.08667	0.9
242.06003	0.5
243.06606	2.4
243.10156	0.6
243.13705	1.2
245.15341	0.7
247.13287	0.8
251.07065	0.8
255.06619	0.5
255.10175	2.2
259.09607	1.2
260.10574	1.0
263.12979	0.5
265.08685	1.5
267.06528	1.3
268.07437	2.8
269.08090	1.6
271.09778	0.7
283.09772	12.7
284.10431	1.0
285.11307	1.4
286.11990	2.6
297.11304	0.9
298.12015	1.1
301.11142	0.6
307.09647	0.5
311.12424	0.5
313.14188	0.5
325.10834	2.2
325.14240	0.5
333.13327	0.5
339.15860	0.7
349.14606	0.7
351.15067	3.0
353.13986	2.2
365.17548	0.7
367.15546	3.8
368.16272	29.0
369.16693	1.1
383.18665	100.0
384.18985	4.7
395.18555	3.3
407.13120	0.7
413.19614	0.6
425.20023	0.7
428.18445	0.6
443.11041	1.6
443.20850	21.8
444.21057	1.1
447.76398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61166	0.3
59.01228	1.0
67.95413	0.3
72.56744	0.3
72.99158	0.7
81.03304	0.4
84.02025	0.4
85.02804	0.4
85.07227	0.4
85.23627	0.5
90.64946	0.3
93.03322	0.4
97.02803	0.4
101.02304	0.4
101.39327	0.7
101.39907	0.7
107.04890	0.9
108.02012	1.8
109.02806	1.9
111.04360	0.7
121.02809	0.6
123.00724	0.6
123.04402	1.9
124.01521	1.6
125.02322	1.9
133.02812	0.8
135.04402	3.2
137.02322	7.5
138.03116	5.0
139.03877	0.9
140.01163	0.5
145.06422	0.4
149.02197	0.4
150.03091	1.0
151.03874	2.1
152.01015	0.6
153.01779	0.4
159.04413	0.6
161.02330	1.4
161.06001	0.5
162.03108	1.2
165.05449	0.9
166.02599	0.4
173.06013	0.9
174.06676	0.4
175.03900	0.5
177.01871	0.5
177.05537	0.4
178.02652	0.7
179.03426	4.1
185.05942	0.5
187.03946	1.1
187.07529	0.4
188.04851	0.5
194.05775	0.5
197.06055	0.5
200.04503	0.5
201.05486	3.8
202.06252	1.4
213.81975	0.4
215.07059	1.3
219.02887	0.7
225.05467	0.8
227.03352	0.5
228.04189	0.6
229.04849	0.6
233.08095	1.0
241.04613	0.4
241.12286	0.4
242.05887	0.8
243.06592	2.3
243.10431	0.8
245.15387	0.5
253.08853	0.6
257.11856	1.6
267.10245	0.6
271.06195	0.8
271.09814	1.4
273.11398	0.7
281.08206	2.7
285.11356	10.1
286.12115	10.1
287.12604	0.7
295.09744	1.0
297.11386	0.9
298.12057	0.5
298.56738	0.4
299.12802	1.9
300.10040	1.7
301.10638	0.5
311.12878	0.7
313.10880	0.5
314.11609	1.1
318.11044	1.2
351.14600	2.1
355.11990	1.9
363.15961	0.6
369.17148	1.3
370.17664	0.5
379.15488	1.9
380.16553	0.5
381.17014	1.8
383.14352	2.3
383.19296	3.0
397.16757	0.8
398.17383	27.8
399.17758	1.6
405.12207	0.8
413.19720	100.0
414.20013	5.7
425.19873	1.2
443.11243	1.3
443.21268	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	443.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01226	0.7
72.74756	0.3
84.54134	1.5
84.54681	0.6
89.02296	0.4
93.03310	0.9
94.56178	0.3
96.68720	0.4
108.02029	18.5
114.58687	0.4
121.02815	20.8
122.03625	7.7
123.04382	1.0
134.03593	2.5
135.04349	1.1
146.73767	0.4
152.01068	2.6
192.11401	0.5
232.14674	0.8
246.16185	0.8
250.34721	0.4
254.82645	0.4
254.86899	0.4
260.17923	0.6
274.19330	0.5
280.81992	0.4
301.25491	0.4
316.24091	16.9
317.24854	100.0
317.39517	1.0
318.25235	6.4
331.22726	0.5
345.24335	0.5
349.23993	2.0
361.23871	98.8
362.24139	7.7
443.24841	0.7
444.15759	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.3
58.81369	0.2
59.01213	0.5
60.89649	0.2
71.01232	0.5
81.03298	0.5
82.50804	0.3
84.54118	1.2
84.54665	0.8
92.02512	0.9
96.68677	0.4
106.04108	3.1
107.04836	1.3
108.02014	0.4
119.04235	0.3
119.04901	3.6
121.02824	4.7
133.06415	0.4
141.12677	0.7
163.11200	0.6
175.11201	1.0
189.12762	0.7
194.51749	0.3
231.17461	1.9
233.15388	1.8
245.15413	0.6
247.17033	2.6
248.17407	0.3
255.55002	0.3
265.60062	0.3
280.82120	0.4
281.24911	1.4
299.23843	4.8
313.25439	0.4
315.23346	1.1
315.26968	1.3
317.24857	97.8
317.39801	0.9
318.25247	5.5
341.10709	0.3
341.17688	0.3
361.23874	100.0
362.24255	5.5
383.22165	1.4
397.18234	0.5
399.20087	0.5
417.20987	0.8
443.13083	0.6
443.18872	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	443.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95789	0.3
57.03294	0.4
58.75892	0.3
59.01237	1.4
60.94421	0.4
71.01247	0.5
72.53049	0.3
72.96114	0.3
74.03319	0.7
74.03664	0.4
82.01167	0.9
89.02329	0.5
96.95868	1.1
97.06456	0.7
106.04121	1.3
107.04890	1.2
117.03358	0.4
119.04897	5.4
121.02817	2.7
133.06505	0.8
135.10406	0.4
145.02837	1.0
175.11147	0.6
189.12874	0.5
203.14418	1.4
211.27263	0.4
217.15971	1.1
219.17520	2.6
231.17534	4.3
245.15465	0.7
247.17024	33.7
249.18536	1.8
261.18604	0.7
280.23712	1.1
281.24088	0.9
285.22275	0.5
299.23834	37.1
300.24210	1.2
315.23206	2.8
317.24866	14.5
341.10870	0.5
355.26300	0.7
361.23892	100.0
362.24249	3.2
381.28375	0.6
383.21310	1.7
385.23795	2.7
443.19406	0.6
443.23746	1.0
443.28113	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58987	0.2
59.01241	0.4
63.47471	0.2
67.73073	0.2
71.55666	0.2
75.65134	0.2
77.71840	0.2
81.48493	0.2
82.01176	0.5
82.01586	0.2
92.02525	0.5
96.95877	0.6
99.93266	0.5
106.04103	1.9
107.04878	1.4
108.02016	0.3
112.11802	0.2
113.09579	1.0
117.03328	0.6
119.04893	4.5
121.02805	2.8
129.25420	0.3
133.06483	0.6
145.02832	1.4
147.08031	0.5
153.05449	0.2
161.07527	0.3
175.11195	0.4
189.12779	0.7
191.14282	1.5
195.86752	0.3
203.14349	13.9
204.14647	0.7
215.14572	0.3
217.15965	0.3
219.13857	23.1
220.14197	1.0
231.01019	0.3
233.15521	0.5
235.13348	0.3
287.67786	0.2
299.23804	37.7
300.24146	3.1
315.23288	3.6
317.24860	15.3
318.25134	1.1
357.23163	0.3
361.23868	100.0
362.24191	7.8
383.21149	1.2
443.24365	1.0
443.28485	0.9
444.16101	0.7
452.40454	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	4.3
59.45333	1.1
69.03310	2.1
71.01235	1.6
71.04871	2.2
73.02780	1.1
73.89333	1.0
76.37236	0.9
77.35897	1.0
80.02547	3.1
81.03307	12.2
83.47425	1.4
84.02025	7.9
87.21671	1.4
97.02851	1.3
98.02965	2.2
98.03586	21.2
99.03893	1.1
99.04388	10.7
101.22881	1.0
103.09406	1.2
107.04845	1.3
108.02038	20.2
119.04887	2.7
121.02820	1.7
126.03111	8.4
190.32925	1.2
190.34949	1.4
197.88261	1.1
203.14365	1.5
219.13832	5.9
229.15981	4.7
244.38687	1.2
265.25253	1.2
285.09515	1.7
289.25317	1.3
291.26962	7.0
293.28339	2.7
299.23843	11.3
301.25351	1.7
303.26971	8.6
315.23212	1.8
317.24817	6.2
317.28525	21.1
317.31854	1.9
319.26297	3.5
319.29724	1.9
321.28009	19.5
322.28485	1.8
329.08401	8.0
335.29584	100.0
336.29843	7.2
341.10904	2.1
345.24210	2.2
345.27975	15.0
346.28442	1.3
361.23874	32.6
362.24252	3.0
363.29071	92.3
364.29456	5.1
389.27075	6.2
395.16760	1.5
397.18347	3.5
398.18936	1.3
399.19907	2.7
407.28122	26.4
408.28641	2.1
417.21182	2.2
443.18921	20.7
444.19751	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	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86249	0.2
57.06848	0.3
59.01241	2.3
61.94680	0.2
61.98694	6.5
71.01235	0.4
72.13899	0.2
73.86935	0.2
77.29393	0.2
83.04880	0.6
86.26453	0.2
91.68472	0.2
91.73502	0.3
96.95901	0.2
110.52286	0.2
113.64442	0.2
119.04881	0.6
121.02784	0.2
125.79615	0.2
161.04440	0.4
192.88959	0.2
193.07094	1.0
205.19554	1.0
231.17526	0.8
247.16966	0.7
249.08493	1.0
249.18593	100.0
250.18913	2.4
259.20685	0.2
287.23822	0.7
299.23749	1.7
311.23935	0.4
315.23178	0.4
317.24860	2.3
323.24017	0.3
361.23904	5.9
385.23929	1.3
443.19720	0.4
443.25284	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54910	1.4
54.44408	1.6
58.31981	1.7
59.01242	100.0
61.98666	1.6
65.95926	2.0
72.99146	2.2
75.53104	2.1
77.23796	1.6
83.04879	1.8
89.02283	2.5
91.03865	3.8
92.82942	1.6
97.36745	1.7
106.98557	2.0
111.07992	3.4
124.65563	1.7
149.06160	2.3
197.11812	9.5
217.15964	2.2
245.15489	4.9
276.64377	2.4
291.19656	6.8
309.20654	11.9
333.13614	3.2
341.10675	4.1
347.87595	2.4
351.14554	14.2
383.12399	3.7
405.11926	3.3
407.13400	6.0
443.11182	3.0
466.89810	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52038	0.4
59.01248	5.9
61.98690	2.5
65.03822	3.3
69.03315	0.8
71.01244	1.9
71.25835	0.4
71.47570	0.4
72.99179	1.0
73.02806	1.0
79.05469	0.4
81.03318	5.0
83.01249	0.7
83.04882	14.0
87.00705	0.6
89.02304	1.0
90.88405	0.4
93.00814	1.4
93.03317	100.0
93.05505	1.2
94.03664	1.1
95.01232	1.3
96.02036	1.7
96.95883	0.5
97.02813	0.5
99.00694	0.6
101.02315	2.0
109.02837	0.9
109.48993	0.4
111.00972	0.4
111.04383	33.1
112.04715	0.4
113.02317	0.7
118.00423	0.5
119.04890	1.8
137.02324	86.3
138.02687	1.6
141.12672	0.8
155.03395	98.1
156.03741	2.2
159.04437	1.8
173.04501	1.1
217.15913	1.2
221.15424	0.7
241.21828	0.7
245.15454	1.0
265.08710	2.1
266.09500	4.4
269.21292	1.5
281.11838	14.0
281.17801	0.8
282.12381	0.9
285.20749	1.2
287.22302	48.1
288.22733	2.2
316.62897	0.5
341.11060	1.2
351.14609	3.3
373.35199	0.5
401.21735	0.8
405.12137	0.7
407.13654	1.8
443.11646	3.1
443.26700	44.6
444.26965	2.5
460.84204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21780	0.5
57.03326	0.9
65.03823	1.8
65.21387	0.4
79.05394	1.1
81.03340	0.6
83.04898	0.9
93.03308	6.5
107.01971	0.8
107.04889	43.4
109.02827	1.4
111.04423	0.6
112.91640	0.5
119.04895	6.2
121.02832	5.0
143.04982	1.3
150.42513	0.5
160.84126	1.6
161.05984	3.6
194.13684	0.6
270.35760	0.6
279.26779	0.8
301.25464	0.7
359.15381	11.3
360.15488	0.7
381.31580	6.7
382.32373	0.6
399.32739	13.7
400.32819	0.9
413.82117	1.3
427.21689	6.2
443.31686	100.0
444.10532	1.0
444.31949	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	443.317
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
53.42447	0.4
56.13016	0.4
63.92277	0.4
65.03812	2.2
70.74722	0.4
71.18421	0.5
76.93996	0.5
79.05387	0.8
81.03339	0.8
83.04874	1.2
93.03321	6.2
95.04894	1.1
101.32783	0.5
105.11272	0.5
107.02061	0.6
107.04892	41.3
107.08033	0.6
107.75484	0.4
108.02062	0.7
109.02819	1.0
111.04379	0.7
119.04897	5.8
121.02832	4.1
140.51906	0.5
143.04886	0.8
160.84134	4.9
161.06024	4.0
231.87863	0.6
239.01286	0.5
244.34145	0.5
279.26865	1.3
287.09189	0.5
301.25323	1.3
345.24316	0.8
381.31705	7.0
399.32703	14.7
400.33643	0.6
413.82394	1.1
414.74680	0.5
416.20392	0.5
443.31714	100.0
444.10696	2.3
444.32144	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	443.3379
Annotation	oscr#34
Peak:m/z	Relative Intensity
52.64788	2.0
59.01241	4.0
66.85671	1.9
79.29670	2.8
95.53899	2.2
109.06461	3.3
131.34698	3.0
133.46605	2.4
137.14525	2.8
148.78806	2.9
162.63066	2.7
257.78732	3.0
280.21378	2.7
307.30057	91.3
307.33624	5.0
308.30643	3.8
325.30859	3.1
340.54733	2.7
351.29126	37.2
353.75626	2.7
369.30093	100.0
443.33801	61.4
444.34119	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	444.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19314	0.2
53.79861	0.2
58.54374	0.2
59.01245	1.0
61.08891	0.2
61.97271	1.2
61.98692	100.0
61.99956	1.8
63.18428	0.2
66.86810	0.3
71.01233	0.3
111.00718	0.4
112.46558	0.2
114.64758	0.2
118.12483	0.3
206.65958	0.3
263.06564	0.3
271.19669	0.3
380.10953	0.3
440.53439	0.3
444.18787	0.6
445.12146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99306	0.7
59.01229	3.1
62.21140	0.6
71.01231	5.9
73.02793	2.1
76.81727	0.7
79.40260	0.7
81.03307	0.9
85.02789	2.3
88.97462	1.3
88.97965	1.3
89.02288	1.4
89.64285	0.7
93.03274	0.8
99.00711	1.5
101.02305	4.2
108.02007	2.2
109.02813	61.6
113.02296	2.1
121.02819	4.9
125.02402	1.1
131.91599	0.9
133.02666	0.8
137.02322	13.8
140.67265	0.8
141.93643	0.7
145.02840	0.9
159.04414	3.8
161.04478	2.5
166.02631	1.0
169.26125	0.8
170.58069	0.8
171.04437	1.2
173.05983	0.9
189.05476	1.1
203.03462	1.5
205.06503	1.3
209.05994	2.6
211.03868	1.5
213.05580	1.7
217.06557	3.0
221.06145	1.1
222.06769	1.1
223.07526	3.9
224.04663	1.8
228.04318	1.5
229.05006	11.7
232.05225	1.8
233.05998	10.0
234.06856	1.8
235.07616	9.6
237.05536	1.6
240.04276	1.8
241.05052	11.4
243.06665	1.3
245.06122	5.0
246.06755	5.6
247.07520	2.1
248.04732	1.8
249.05624	4.1
250.06175	1.7
251.07158	7.3
260.04791	2.0
261.05594	21.4
262.06284	12.1
263.07135	28.0
264.07498	1.2
265.04819	1.1
266.05905	1.1
273.05606	3.2
274.06326	16.3
275.07050	2.6
276.04257	2.3
277.05014	8.3
278.05817	9.3
279.06625	39.8
280.06940	1.5
281.04468	1.0
289.05096	3.7
290.05832	11.7
291.06644	100.0
292.07135	6.1
293.04480	1.7
305.04489	0.9
307.06351	1.8
309.07648	5.2
313.16595	5.6
322.04907	2.7
323.05603	26.1
324.05887	1.5
327.02252	1.0
333.08844	0.8
335.05621	48.0
336.06317	4.6
375.25793	0.9
383.09091	2.1
401.10342	16.8
409.15167	1.7
427.08823	1.0
445.09247	78.7
445.20187	14.6
446.09476	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25381	0.7
59.01247	3.9
63.78728	0.7
63.85309	0.7
71.01230	4.0
73.02808	1.5
74.23158	0.8
76.22800	0.8
76.34797	0.9
78.60617	0.7
81.03299	0.7
83.01266	0.8
85.02817	1.9
85.10838	0.6
85.51794	0.8
88.97478	1.4
88.97938	0.9
89.02320	1.4
93.03317	1.0
101.02299	4.4
108.02030	2.4
109.02817	57.0
110.03187	1.1
111.00760	0.9
113.02294	1.1
121.02831	3.4
137.02316	13.0
138.25967	0.8
145.02875	1.5
159.04416	3.1
161.04433	2.5
171.04527	1.0
197.06140	0.9
203.03546	1.7
205.06575	1.2
209.05983	2.1
211.03906	1.5
217.06448	2.3
222.06819	1.2
223.04005	1.0
223.07574	3.1
224.04826	1.2
228.26508	0.9
229.05002	11.8
232.05219	1.6
233.06053	10.1
234.06813	1.3
235.07669	10.1
237.05600	1.6
240.04149	1.1
241.05031	8.7
243.06689	1.4
245.06108	6.3
246.06889	4.8
247.07664	2.0
249.05495	5.2
250.06213	1.6
251.07126	7.7
260.04791	1.2
261.05566	23.8
262.06293	11.2
263.07141	27.4
273.05569	4.9
274.06381	13.9
275.06912	1.9
276.04196	1.7
277.05075	8.1
278.05902	8.8
279.06638	34.2
281.04538	1.2
289.05087	4.1
290.05865	11.1
291.06641	100.0
292.07178	5.1
293.04486	2.3
307.06094	2.3
309.07626	3.0
313.16574	4.0
323.05618	22.9
335.05627	41.4
336.06223	6.1
338.70642	0.9
381.22287	0.9
383.09277	1.9
399.09241	1.1
401.10364	14.7
409.14935	2.2
427.08102	1.2
445.09271	65.7
445.20120	10.3
446.09650	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	445.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.9
57.03296	0.8
59.01234	6.2
61.98675	1.1
67.54732	0.6
71.01236	7.6
71.04889	0.6
72.98783	0.9
72.99164	11.7
73.02781	1.0
81.03307	1.7
85.02795	1.0
87.00727	5.0
89.02290	2.3
93.03315	1.3
95.01220	0.8
96.95847	0.8
97.02814	2.1
99.00721	1.8
99.04378	1.7
99.89232	0.5
101.02303	2.5
107.04872	2.3
108.02077	0.7
109.02814	1.2
109.06451	0.9
113.02324	1.9
119.03380	1.4
119.04908	0.6
121.02831	0.8
123.04359	1.7
124.01552	0.9
125.02317	21.7
125.09566	1.3
127.13400	0.6
134.03592	0.7
135.04362	3.4
136.01506	2.9
137.02310	1.3
137.05991	2.0
138.03036	0.7
141.01793	0.7
147.08037	1.4
149.06018	1.2
149.09570	0.9
151.03911	4.0
151.07495	0.8
153.05540	0.8
153.09087	1.3
153.12791	0.9
161.02324	1.0
161.04657	1.0
161.05946	5.9
162.03062	0.9
163.03857	1.2
163.11124	0.6
173.04459	0.7
173.05865	0.6
174.03105	2.2
175.03897	0.8
177.01909	1.0
177.05495	1.1
178.06108	0.9
179.03456	5.6
179.07001	2.3
179.10545	0.7
181.04968	0.9
181.08640	0.8
183.10217	3.6
189.05495	12.3
190.02682	0.7
191.07034	5.1
191.10664	0.7
198.06781	1.7
201.12750	0.7
203.03435	0.7
204.04248	1.0
205.05006	2.0
211.09756	4.0
216.07814	1.0
217.12085	0.8
223.06071	0.9
229.12198	1.0
243.06522	0.8
246.08873	1.1
247.13336	1.5
255.13921	1.0
257.04553	0.8
257.15396	1.7
259.13550	0.7
267.03064	0.7
271.09656	0.8
272.06873	0.7
272.14841	0.6
273.11642	0.6
273.14990	2.3
283.06012	1.3
285.14908	5.4
291.12698	1.1
291.16003	1.7
299.12720	0.9
301.14481	1.5
303.16034	2.6
311.12973	0.9
313.16519	4.0
317.13913	2.3
329.13940	10.5
335.15042	10.6
345.13324	1.1
347.15042	6.1
352.14798	1.0
353.15350	1.3
357.13272	1.3
363.14536	1.7
373.12958	6.9
381.15616	1.6
391.14014	11.6
392.14581	0.9
409.15079	100.0
410.15457	5.5
444.32745	0.7
445.06146	1.2
445.12750	13.4
445.21667	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	445.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88141	0.6
59.01242	27.8
71.01233	9.0
72.99171	2.5
73.02802	1.8
79.95579	0.8
83.01237	1.4
85.02811	4.0
87.00731	1.3
89.02302	6.2
96.95869	66.0
97.88136	0.8
98.95433	1.6
99.00715	1.1
101.02292	7.2
108.02006	1.1
109.02819	3.0
113.02318	4.9
119.03387	2.5
119.04861	1.0
121.02812	1.1
123.04388	1.7
125.02287	1.2
131.04921	2.0
133.02812	2.0
137.02318	1.0
137.05896	0.8
147.04384	4.1
149.02324	1.1
150.91040	0.7
152.01079	1.3
153.01862	2.4
158.03592	1.1
159.04379	5.4
161.02406	1.5
161.04448	3.2
175.03928	9.4
193.12286	1.0
203.03384	5.3
207.10217	1.4
207.43188	0.8
219.02963	12.4
219.10316	1.0
241.00259	2.4
247.02512	4.0
291.01529	10.2
292.01755	1.0
305.16080	0.9
307.08258	3.7
340.91647	1.1
363.16849	1.4
365.18134	12.4
366.18619	1.2
375.77267	0.8
383.13837	18.7
385.11743	24.9
386.11807	0.9
387.16867	2.6
428.10260	0.8
444.19620	1.7
445.13898	100.0
445.20575	10.1
446.14554	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	445.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69481	11.6
55.13054	11.7
57.16535	15.4
59.01244	100.0
63.49350	13.6
71.01257	37.0
73.02797	24.6
82.95277	53.0
89.02324	18.5
99.04372	17.4
101.02333	31.9
109.02818	48.0
121.02855	31.3
129.05203	17.0
135.04410	70.4
139.03833	23.6
147.04472	19.7
150.03157	20.8
153.01846	23.5
164.26413	17.4
168.11201	18.1
177.01872	19.3
179.03465	67.4
202.08466	20.1
245.15514	36.5
285.11392	19.8
293.48480	16.0
330.09927	18.1
345.11356	30.6
351.14716	79.3
385.20230	95.6
390.35562	17.5
397.19867	36.9
401.10260	29.6
407.13434	49.1
425.74490	18.2
445.10400	88.9
445.22379	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84584	1.7
67.49483	1.7
92.84645	1.8
99.92443	23.5
103.32589	2.0
115.91944	4.3
116.92725	100.0
201.97229	4.9
205.96762	4.5
218.97636	2.5
219.98363	6.0
245.96268	5.0
301.25375	5.8
306.15619	2.3
315.23260	2.6
341.21228	2.7
343.23114	2.6
345.24420	3.2
401.15033	10.8
409.12305	4.2
415.16010	7.2
427.15790	6.3
445.10419	3.2
445.16898	68.3
445.31894	4.2
446.17557	2.9
459.14905	5.8
469.62283	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.5
57.03328	2.6
58.00455	1.3
59.00087	1.3
59.01242	79.1
59.02548	1.3
60.01576	0.8
67.01763	2.2
70.99706	0.7
71.01237	42.0
71.02967	0.7
72.99194	2.5
73.02801	5.3
75.00723	0.8
83.01248	3.6
83.04873	0.5
84.02035	0.7
85.02803	11.5
87.00755	1.8
89.00200	0.6
89.02295	36.4
90.59379	0.5
93.03297	0.9
95.01273	2.7
96.41747	0.7
96.95856	1.0
99.00756	1.9
99.04408	1.3
100.99723	0.7
101.02303	28.5
104.90601	0.6
109.02823	0.9
113.02306	15.6
119.03368	14.5
122.03614	1.7
123.04417	1.8
125.02335	1.2
131.03372	1.3
136.01567	1.2
137.05951	1.4
143.03401	1.1
145.93123	1.6
149.04456	1.1
151.03937	1.5
153.01797	0.8
153.12799	2.3
161.04451	2.9
173.04457	1.3
177.12770	1.4
179.05579	1.6
195.13927	1.0
196.85852	0.9
203.03510	0.8
203.10806	1.2
217.44006	0.8
221.11781	12.1
221.13701	0.7
221.15320	0.7
247.13467	0.8
247.15857	0.7
265.10922	5.0
265.14301	3.5
283.15491	1.2
285.52567	0.7
304.22238	0.7
323.09363	0.8
401.18256	17.3
402.18936	0.9
409.15115	1.7
427.15195	1.5
427.20734	3.1
445.16562	100.0
445.22501	4.9
446.17120	7.2
463.21991	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.0
56.71050	0.2
57.03317	2.3
58.00449	0.8
59.00084	0.4
59.01243	21.7
62.79424	0.4
69.03313	0.9
70.99725	0.7
71.01240	41.1
71.02915	0.6
72.99174	1.4
73.01244	0.4
73.02804	19.4
73.07186	0.3
75.00726	1.7
76.73956	0.3
81.03308	0.5
83.01242	7.0
84.02058	0.4
84.16687	0.3
85.02808	19.9
85.05035	0.4
85.99994	0.3
87.00743	2.3
88.34499	0.3
88.35064	0.3
89.02299	13.1
92.62852	0.5
92.63346	0.4
95.01243	2.9
96.95892	0.3
97.02830	2.3
99.00740	8.4
99.01363	0.6
99.04346	0.5
101.02303	37.6
101.05151	0.5
109.02784	0.5
111.00703	0.6
112.26935	0.3
113.02308	18.6
115.03848	1.6
119.03369	1.1
125.02325	3.8
128.24004	0.3
129.01813	0.9
131.03377	2.5
143.03404	2.4
145.92468	0.4
149.04449	2.1
151.11140	0.7
159.02881	4.1
161.04454	22.5
174.91420	0.4
179.05510	0.4
191.05542	0.8
196.84647	0.7
233.06595	2.2
291.92096	0.4
293.08743	2.0
313.16586	37.7
314.16928	1.5
334.17572	0.3
335.14972	0.5
341.54980	0.3
357.15509	0.5
368.40674	0.7
401.10422	0.3
409.15076	0.8
445.20816	100.0
446.21170	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	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.3
57.03298	1.5
59.01244	17.2
69.03320	0.6
70.99695	0.5
71.01238	31.2
71.02924	0.4
72.01573	0.4
72.18956	0.4
72.99164	0.7
73.02803	19.6
75.00728	1.2
75.10257	0.3
83.00780	0.6
83.01236	6.5
85.02804	17.1
85.99950	0.5
87.00716	1.5
89.02298	7.1
92.62878	0.6
93.55371	0.4
94.26430	0.3
95.01262	2.2
96.10138	0.3
96.95863	0.9
97.02792	1.6
99.00730	6.2
99.04390	0.4
100.99712	0.4
101.02303	33.2
101.05223	0.5
111.00724	0.8
113.02308	16.6
115.03854	1.0
121.03033	0.4
125.02351	2.4
129.01784	0.5
131.03374	2.1
143.03358	1.6
145.92456	0.5
149.04401	0.8
151.11081	0.4
159.02885	4.6
161.04453	16.5
174.91496	0.4
191.05576	0.6
196.84662	0.6
206.28040	0.4
221.11819	0.5
225.65741	0.4
233.06589	2.0
264.18625	0.4
293.08820	1.3
313.16589	38.6
314.16843	1.4
368.40964	0.5
445.20810	100.0
446.21188	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	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	1.6
57.03307	2.0
59.01243	17.9
60.61444	0.4
61.98677	1.5
62.56152	0.4
66.55135	0.4
68.18266	0.4
69.03290	0.7
70.99716	0.6
71.01241	29.9
72.88496	0.4
73.02807	19.3
75.00728	0.7
75.45073	0.5
76.16061	0.5
81.03319	0.4
83.01231	7.3
83.45938	0.4
83.46440	0.4
85.02809	16.2
85.99972	0.8
87.00723	2.2
89.02296	7.3
90.57581	0.4
92.62877	0.7
92.63370	0.7
95.01251	1.9
97.02793	2.3
99.00740	5.9
100.98641	0.4
100.99780	0.7
101.02304	36.1
102.02632	0.6
109.02841	2.4
111.00723	0.7
113.01555	0.9
113.02307	13.7
115.03843	1.2
125.02308	2.8
129.01779	1.0
131.03380	1.9
143.03394	1.8
145.92325	0.6
149.04483	1.2
150.04868	0.4
159.02924	3.0
161.04454	14.9
196.84645	0.8
206.28168	0.7
232.78403	0.6
233.06612	2.2
250.04471	0.5
261.05496	1.0
263.07239	0.8
274.06421	0.9
278.05914	0.6
279.06570	1.5
291.06586	4.9
292.06934	1.1
293.08780	0.8
313.16602	37.3
314.17001	1.5
323.05865	0.9
335.05725	1.9
401.10449	0.6
445.20825	100.0
446.10886	0.5
446.21207	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	445.2081
Annotation	Dendroside G
Peak:m/z	Relative Intensity
50.64662	0.6
51.18549	0.6
55.01759	1.2
57.03317	0.7
58.00457	2.8
58.56770	0.8
59.01243	100.0
59.02517	1.2
60.01582	0.8
65.28255	0.7
65.73944	0.8
70.99739	0.9
71.01241	50.4
72.99166	7.0
73.02804	2.2
75.00779	0.9
78.95767	3.6
83.01252	2.5
85.02809	10.4
87.00737	2.6
89.02297	68.2
90.11807	0.7
95.01252	3.6
96.95872	2.3
96.96824	9.1
97.02819	1.6
99.00746	1.2
101.02307	44.3
105.06395	0.8
107.04911	1.4
109.02821	1.4
113.02308	23.5
119.02501	1.9
119.03366	37.1
121.02807	2.1
123.04404	1.2
125.02342	4.2
131.03357	2.8
134.03694	0.9
135.04419	1.5
138.12354	0.8
143.03432	3.9
145.92427	1.4
149.04474	3.1
151.07553	8.0
156.17090	0.9
161.04477	3.8
167.03406	2.0
167.10684	2.4
173.04475	1.4
179.03514	2.0
179.05554	7.2
189.05455	1.2
208.97623	1.6
221.15536	5.1
227.48535	0.9
239.16492	1.8
265.14398	8.7
283.06238	3.6
283.15701	1.4
285.01740	1.0
303.16394	1.0
317.63705	1.0
326.54315	0.9
329.13809	1.8
335.14929	2.7
353.14987	1.8
391.14056	1.5
399.04126	1.1
401.21890	7.1
409.15097	15.3
410.15198	1.3
430.05878	4.4
436.61145	0.9
445.07867	6.9
445.20856	66.6
446.21066	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2083
Annotation	Sacranoside A
Peak:m/z	Relative Intensity
55.01742	1.5
57.03315	2.4
57.48799	0.4
59.00115	0.4
59.01243	24.6
59.02464	0.4
64.82075	0.4
65.25323	0.4
69.03303	1.3
70.99774	0.8
71.01240	45.8
71.02872	0.6
72.99165	1.7
73.02804	22.2
75.00726	1.3
77.19542	0.5
81.03332	1.1
83.01241	7.2
85.02806	21.0
87.00725	2.1
89.02297	25.0
89.04562	0.5
92.62883	0.5
92.63425	0.5
95.01247	2.8
95.01752	0.5
97.02779	2.4
99.00741	13.4
99.04352	0.5
101.02305	39.6
101.05106	0.6
111.00718	0.5
113.02304	17.6
113.05641	0.5
115.03856	1.9
119.03368	1.1
124.10770	0.5
125.02310	5.1
129.01855	0.9
131.03372	6.6
139.09747	0.4
143.03404	2.6
149.04453	17.1
149.09537	1.4
151.11229	2.3
159.02872	3.7
161.04449	22.0
162.04774	0.6
181.12297	0.6
191.05566	5.2
196.84761	1.0
206.28229	0.5
233.06601	4.1
235.07240	0.6
242.02275	0.8
251.07751	1.1
253.01369	1.1
267.06647	0.7
293.08817	3.0
295.09290	0.6
313.16577	34.6
314.16992	0.7
401.06537	1.7
401.10571	1.5
409.15094	1.5
440.68024	0.6
445.20810	100.0
446.21268	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39593	0.9
57.03297	4.0
58.99895	1.4
59.00164	1.6
59.01243	100.0
59.02435	1.4
65.81611	1.1
67.16826	1.0
71.00872	2.4
71.01239	29.6
72.99170	2.0
73.02807	11.2
76.26669	1.0
78.38195	1.2
80.66669	1.2
83.01247	4.7
85.02808	12.4
87.00719	5.7
89.02290	15.5
91.43784	1.0
93.03322	1.3
95.01273	1.7
95.04873	3.3
96.95869	24.2
97.06476	1.2
99.00745	4.5
99.04404	2.1
101.02303	23.1
103.71537	1.0
109.02821	2.6
109.06388	1.9
112.81316	1.2
113.02320	15.3
113.05972	1.5
119.03396	4.2
120.99593	1.0
121.02818	1.4
122.03587	3.7
125.02294	1.8
130.16780	1.1
135.98193	1.4
137.05983	1.4
137.09663	1.4
143.03375	2.3
147.04349	1.1
153.01907	1.2
153.09018	2.0
159.02841	3.8
161.04439	22.2
162.68805	1.3
165.09100	5.3
177.01859	1.2
177.12807	2.8
178.99841	1.4
185.11812	1.9
203.03465	2.0
203.14235	1.7
205.12317	2.9
215.03426	1.5
216.61452	1.3
221.11861	7.1
221.15504	2.4
223.13367	17.0
243.03044	3.2
255.06747	2.5
265.11145	1.6
265.14462	31.5
268.03653	1.4
283.15463	1.7
287.02048	8.8
301.84521	1.3
324.47189	1.3
355.04776	2.5
365.18210	3.8
376.47110	1.3
383.13809	2.7
385.12125	1.3
445.13834	31.8
445.20819	17.5
446.14734	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16826	1.1
59.01237	2.7
62.68929	1.1
70.74426	1.0
85.06466	1.2
94.42944	1.1
99.03269	1.2
106.04108	4.4
107.04884	3.2
119.04881	9.9
121.02812	5.5
133.02821	2.0
133.06453	3.2
134.03685	1.1
136.39932	1.3
203.32515	1.1
231.17505	22.3
233.19086	1.5
243.08301	1.3
255.23375	1.6
257.19086	29.3
261.18521	2.6
301.25305	1.9
303.78525	1.4
317.24838	24.5
318.25232	2.0
319.26425	32.0
319.30075	2.4
323.23843	1.5
325.25345	30.4
343.26324	2.1
361.23953	4.4
363.25406	58.2
364.25702	1.8
365.13306	1.5
385.23474	1.6
385.70657	1.6
387.25421	100.0
388.25760	4.8
409.12512	2.8
445.20938	19.1
445.26199	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	445.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53424	0.3
57.03307	0.5
59.01245	0.4
73.02796	0.3
82.38186	0.5
82.38586	0.4
83.04881	0.4
85.02783	0.4
90.91796	0.3
94.75625	0.3
99.07993	1.2
103.39411	0.8
103.39999	0.7
107.04897	0.8
109.02806	0.6
120.29858	0.3
121.02813	0.8
123.00718	0.7
123.04288	0.4
124.01530	13.1
125.02346	2.3
125.09615	0.8
131.08559	0.6
135.04387	0.8
136.01500	0.5
137.02307	3.8
138.03105	5.1
139.03885	15.3
140.04164	0.5
145.06497	0.8
147.04425	0.5
150.03105	10.8
150.04294	0.6
151.00223	0.5
151.03893	11.4
157.06424	0.8
161.02281	0.7
161.09567	0.5
162.03079	1.2
163.03952	0.6
165.05469	7.7
173.05981	1.2
174.03114	1.5
175.03918	5.7
175.07491	1.1
176.04526	0.6
177.05496	0.8
179.03447	0.6
181.12164	0.5
187.03937	1.2
189.05479	1.1
191.07056	0.5
192.07837	1.8
192.11665	0.4
199.11299	0.3
200.04807	0.5
201.05507	2.9
202.06198	1.7
203.14291	0.6
207.10287	0.8
211.07541	0.4
211.11079	0.4
212.04636	0.4
213.05513	0.4
215.14409	1.6
217.15930	1.6
219.22498	0.4
221.09636	1.0
225.27451	0.4
229.12354	1.9
231.14003	0.5
233.15419	2.0
239.07059	0.5
239.10687	0.9
241.08710	0.6
243.06560	2.2
245.15486	2.3
249.09198	0.5
252.07904	0.8
253.08626	2.0
254.09236	0.6
255.06506	0.5
255.10307	1.1
257.11777	5.8
259.09760	5.6
260.10278	0.9
265.08649	0.6
267.10263	5.6
268.10941	0.9
269.11789	0.8
270.08917	2.6
271.09796	3.3
274.12177	1.1
283.09787	1.6
284.10599	1.8
285.11337	29.5
286.12024	5.9
287.12985	0.5
295.09766	0.4
298.12201	0.4
301.14435	1.3
325.10681	0.6
327.12274	1.0
333.13492	0.8
339.16269	0.6
351.14517	3.9
352.16733	1.1
353.17911	1.7
367.19250	0.6
369.17099	8.0
370.17850	14.5
371.18277	0.5
382.17850	4.0
385.20230	100.0
386.20532	6.1
397.20178	6.8
398.20508	0.6
407.13565	1.5
427.12415	0.5
445.11066	1.2
445.22333	38.7
446.22455	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	445.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91234	0.8
57.03318	1.6
59.01245	9.7
61.98669	1.5
65.03807	1.1
71.01237	4.3
72.99165	1.2
73.02787	1.9
73.03928	13.9
74.02324	2.5
77.58273	1.0
78.95770	4.2
80.55308	0.9
82.06483	1.0
83.01272	1.4
83.04872	2.6
84.04403	3.2
85.02806	2.2
85.03940	1.6
87.00742	5.0
87.05479	1.4
89.02308	4.3
95.01257	1.0
95.04873	0.9
96.00771	1.6
96.95869	51.0
96.96777	5.9
97.02736	1.0
101.02296	3.4
102.05468	27.3
103.05004	4.7
109.02852	1.2
112.07615	1.2
113.02325	1.5
115.08635	3.4
116.07017	2.0
118.04952	1.3
119.03387	7.4
119.04871	7.2
121.06496	2.1
123.08016	7.2
123.72923	1.0
125.02297	2.2
125.07088	1.6
126.05547	1.2
127.00279	2.0
128.03410	80.4
129.10191	3.6
130.08620	16.9
137.02313	1.0
138.09114	1.2
139.07626	1.2
139.08644	1.1
140.07053	2.8
146.04482	23.3
148.50584	1.0
151.07565	2.1
153.09131	1.4
155.08153	3.0
155.11739	1.7
161.02357	1.1
163.03900	5.6
166.08638	1.3
171.11717	7.7
171.14934	5.0
172.10857	2.9
175.02373	1.3
181.07127	4.6
185.09137	1.7
185.16534	4.5
189.12827	2.2
193.13420	1.8
194.11844	3.3
197.12914	1.1
201.12714	3.7
203.10339	3.5
207.13823	1.5
210.16127	3.1
211.14447	3.7
215.13988	3.6
223.06120	1.5
224.17726	2.1
228.17235	2.3
237.14940	15.9
241.11998	2.0
242.18732	3.7
262.12061	1.4
267.09897	2.2
267.18341	3.0
270.21936	4.8
281.13943	49.0
283.08444	2.8
285.19540	1.1
286.17780	2.9
297.15860	2.1
314.20844	2.2
315.16583	1.4
316.18805	28.8
344.60406	1.1
371.23029	4.2
415.22156	1.9
427.22214	2.1
437.17642	1.2
445.04163	3.0
445.23111	100.0
446.23389	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	445.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.7
61.49215	0.6
67.24937	0.5
85.04762	0.7
85.06474	1.7
91.72755	1.0
92.02538	0.7
93.74004	1.4
93.74487	0.7
94.24008	0.6
94.24628	0.6
106.04077	3.0
107.04916	2.6
119.04892	9.5
121.02827	5.0
133.02853	0.9
133.06502	1.8
159.04184	0.6
231.17508	14.9
233.19052	3.3
236.94350	0.7
255.23244	1.1
257.19110	28.0
261.18591	5.2
301.25296	2.0
315.23651	0.8
317.24854	30.5
319.26443	59.6
320.26813	1.5
323.23941	0.8
325.25381	26.3
326.25861	1.1
343.26508	1.5
363.25446	100.0
364.25867	2.1
385.23129	0.9
387.25443	75.3
388.25934	3.0
445.21103	10.9
445.26279	2.0
446.60107	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18167	0.5
53.72085	0.5
57.03317	5.7
59.01213	1.7
78.11217	0.6
79.13866	0.5
82.69509	0.5
83.04852	0.7
83.93512	0.5
85.04682	0.8
85.05178	0.6
89.90330	0.5
90.06058	0.6
92.02522	1.0
93.03323	3.4
93.61169	0.6
100.28484	1.1
100.29070	1.1
106.04098	4.1
107.04890	6.9
108.02063	0.9
111.04372	1.0
113.09565	2.0
119.04240	0.6
119.04901	7.8
121.02843	5.8
133.02812	0.9
133.06425	0.8
137.02296	2.0
155.03384	4.1
201.99588	0.6
203.14311	1.3
205.14311	0.8
205.15953	4.9
219.13895	6.1
231.13968	1.0
231.17363	1.4
233.15442	8.5
251.20119	2.2
255.23369	2.3
287.19934	0.7
287.23694	1.3
299.23825	1.4
301.25351	2.7
313.25360	1.5
315.23492	0.8
315.26950	1.6
317.24872	33.6
318.25235	1.6
319.26440	61.3
320.26721	2.0
325.25427	9.4
341.24759	1.2
341.28497	0.7
343.26425	24.1
357.28046	40.3
361.23920	1.8
363.25452	100.0
364.25778	3.4
383.29578	16.9
385.23215	1.6
385.33197	1.5
387.25443	31.8
388.25742	1.5
401.26968	2.9
427.28671	10.6
445.21436	4.8
445.29681	72.7
446.29962	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61418	1.2
77.03833	0.6
89.03838	0.5
93.03352	0.5
95.04889	1.8
105.03320	9.0
106.04175	0.3
118.05384	0.3
119.04875	1.6
121.02808	1.3
122.03658	0.6
123.04404	1.3
132.02049	3.9
133.02827	61.5
133.06778	0.9
134.03625	14.5
135.04359	1.2
136.01561	1.1
137.02318	5.5
139.03900	1.6
145.02818	0.4
147.04416	2.4
148.05205	1.3
149.02353	0.3
149.05966	2.0
150.03127	0.5
151.03871	0.7
153.05467	0.7
160.01556	13.0
161.02336	3.9
161.05945	2.4
162.03105	2.5
175.03906	9.6
177.01848	10.6
178.02621	8.1
178.04060	0.5
179.03383	1.2
183.81088	0.3
190.09834	0.3
192.04163	0.4
193.05013	5.0
194.02139	0.8
205.12314	0.3
229.46931	0.3
246.12608	0.9
324.99564	0.4
331.15530	0.4
331.19254	0.7
345.17093	1.2
359.18622	3.0
365.09570	0.4
373.20331	0.8
401.23425	1.1
409.08807	0.7
430.23621	10.4
431.23920	0.4
445.25964	100.0
446.26297	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	445.2597
Annotation	Berkeleyone A
Peak:m/z	Relative Intensity
50.56698	0.3
55.61413	1.2
58.97127	0.3
62.98408	0.2
69.55285	0.3
77.03789	0.5
84.28621	0.3
89.03835	0.5
94.51476	0.3
95.04891	1.8
105.03325	8.9
117.03316	1.3
119.04903	2.6
121.02820	1.5
123.04367	1.2
132.02031	3.6
133.02827	62.5
133.06584	0.6
134.03622	15.5
135.04359	1.4
136.01543	0.5
137.02330	5.0
139.03909	1.3
145.02834	2.7
147.04375	2.2
148.05171	1.3
149.02368	0.7
149.05963	2.0
150.03131	0.7
151.04012	0.3
160.01558	12.7
161.02324	4.2
161.05914	2.3
162.03117	3.2
163.03879	0.5
175.02715	0.2
175.03912	9.2
177.01845	9.9
177.03342	0.7
178.02628	7.2
179.03387	1.0
180.63219	0.4
192.04202	0.6
193.04974	4.2
194.02101	0.7
246.12534	1.7
345.17075	1.4
359.18610	2.2
373.20099	0.7
401.23349	1.4
430.23599	10.6
431.23907	1.0
445.25970	100.0
446.26355	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	445.2962
Annotation	Abeohyousterone
Peak:m/z	Relative Intensity
54.83856	0.7
57.03312	8.9
59.01226	2.4
61.98690	1.0
62.26968	0.8
63.71719	0.8
80.06310	0.9
85.49135	1.1
92.02527	1.7
93.03312	6.3
93.73951	1.6
103.69316	1.0
106.04080	5.8
107.04890	12.8
109.02853	1.1
111.04379	2.5
113.09585	1.3
113.42451	1.0
119.04900	12.9
121.02824	9.1
133.02858	1.4
137.02356	3.1
155.03374	7.4
177.58690	1.1
180.90591	1.1
203.14412	5.0
205.15935	5.1
219.13907	12.0
221.44794	1.0
231.13896	2.7
231.17477	1.6
233.15483	9.4
245.15575	1.4
247.17281	1.4
251.20210	3.1
255.23311	3.0
284.35297	1.1
297.00266	1.3
299.23816	1.7
301.25464	2.0
313.25513	2.6
317.24872	38.1
318.25256	3.7
319.26434	63.6
320.26749	3.1
325.25409	19.9
341.24777	1.4
343.26419	35.6
344.26657	1.4
357.28024	56.3
358.28568	1.5
361.23782	6.8
363.25427	94.8
364.25964	5.2
383.29596	26.8
385.23572	2.2
387.25427	75.7
388.25806	3.9
401.26865	5.8
427.28479	14.6
427.33743	1.5
445.21106	8.5
445.29684	100.0
446.21829	1.5
446.29883	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	446.2187
Annotation	icos#10
Peak:m/z	Relative Intensity
52.43518	0.4
55.38564	0.7
55.38794	0.5
58.95879	0.4
59.01008	0.3
59.01243	3.4
61.98694	0.5
62.01038	0.5
63.04707	0.4
70.02821	0.6
71.00873	0.9
71.01242	12.8
72.00758	0.4
87.79243	0.4
88.01499	1.0
88.03896	90.1
88.06017	1.4
89.04230	0.5
93.03357	0.6
109.02818	1.0
114.01823	3.7
115.00233	20.9
125.04569	0.4
132.02901	59.3
135.04427	0.7
135.08006	3.7
137.02338	0.7
148.08818	1.1
153.01843	0.5
161.09618	2.0
174.10477	0.7
175.09921	4.5
179.03468	0.5
198.10423	0.9
213.12805	3.3
214.13600	10.4
215.14030	0.6
240.11574	4.3
241.12152	0.4
252.13991	0.8
257.14191	11.3
258.12503	2.2
266.15591	0.5
267.16437	1.1
269.19135	1.4
283.16998	0.8
284.97256	1.6
287.20142	2.3
300.19666	1.1
313.18103	6.9
325.07309	0.6
326.07452	2.6
330.20697	5.1
331.19116	6.8
340.22983	0.7
384.21970	0.5
402.22894	8.5
428.20978	1.0
446.21875	100.0
447.22293	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	447.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27949	0.3
59.01228	0.2
60.10486	0.4
60.10759	0.2
63.02229	0.3
63.28523	0.3
65.19814	0.2
65.43170	0.2
72.91136	0.2
73.12238	0.3
77.40582	0.3
79.78294	0.2
82.08125	0.4
82.77502	0.5
82.77962	0.4
83.01240	0.4
87.95103	0.3
87.95580	0.3
93.03272	0.3
94.47929	0.3
100.40936	0.3
107.01236	0.7
109.02776	0.3
125.02272	0.5
132.02077	0.5
135.00780	0.6
143.04816	0.3
145.89001	0.2
147.04514	0.2
151.00233	2.1
153.01900	0.3
159.04359	0.4
163.00252	0.7
169.01360	0.4
169.06416	0.4
171.04471	0.3
174.03130	0.4
178.99744	0.4
182.03639	0.5
183.04431	1.6
185.06039	0.7
187.03995	0.6
211.03870	2.1
213.05501	0.3
227.03464	73.4
228.03804	2.8
229.04980	1.7
239.03510	0.7
240.04253	0.5
255.02986	91.7
255.14188	0.8
256.03625	10.1
257.04465	1.5
283.02505	0.4
284.03271	71.2
285.04007	27.6
286.04425	1.1
301.03629	0.4
327.05334	1.3
447.09351	100.0
448.09708	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	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00193	1.6
75.13156	0.9
83.01253	0.9
85.67490	0.7
90.65687	1.3
90.66132	0.9
91.13744	0.7
97.67252	0.6
107.01252	3.8
108.02012	1.9
109.02825	2.9
121.02827	4.3
147.29674	1.0
148.01517	1.9
149.02390	1.4
150.99124	1.4
151.00269	18.2
163.00241	4.2
164.01093	1.4
171.27832	0.7
178.99788	10.5
183.04573	0.8
187.03874	1.2
190.92487	0.8
192.00577	0.8
199.03853	1.3
201.05428	0.8
211.03925	1.6
214.54645	0.7
215.03508	1.3
215.90594	0.8
216.04276	1.3
226.02733	1.4
227.03441	5.2
229.01547	0.9
229.04936	1.8
243.02979	12.4
245.04471	2.9
245.40814	0.9
254.02193	1.3
255.02985	30.3
256.03314	1.1
271.02499	64.0
272.03043	3.1
273.04022	2.3
283.02481	2.8
299.01749	0.9
300.02756	100.0
301.03528	77.7
302.03839	1.8
447.09348	85.3
448.09698	4.5
455.02026	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	3.0
72.99167	15.1
80.52192	0.8
85.67482	0.8
86.23190	0.6
88.12422	1.1
90.66454	0.7
91.67329	0.6
111.04406	1.1
125.02342	0.8
133.02809	1.1
151.00273	2.8
163.00319	1.1
178.99825	1.0
196.13844	0.7
199.03929	3.6
201.01859	1.0
207.06621	1.3
215.03471	3.4
227.03461	7.2
227.97365	0.8
229.01523	1.0
242.02197	8.4
243.02977	37.3
244.03317	1.1
255.03023	4.5
256.03738	1.2
257.04562	10.7
268.51062	0.8
270.01715	10.2
271.02505	42.1
284.03281	3.9
285.00906	1.6
285.04068	32.4
286.04874	5.8
286.70065	0.8
299.01898	6.9
300.02747	8.2
301.03317	1.3
301.77756	0.8
314.04370	45.5
315.05020	5.7
319.15598	6.6
324.64352	0.9
392.67700	0.8
411.16641	15.2
429.08365	1.8
447.09363	100.0
448.09714	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11084	0.4
57.31923	0.4
59.00964	0.8
59.01241	8.0
60.37299	0.4
71.01238	9.0
72.98785	0.6
72.99166	10.6
73.02804	5.0
73.51408	0.5
75.00719	1.4
78.94827	1.1
78.95245	0.9
83.01248	1.2
85.02814	3.9
89.02290	5.8
93.03286	0.7
95.01268	1.1
96.08620	0.5
96.95861	0.5
97.02806	0.6
99.00732	3.0
101.02303	9.1
108.02036	1.2
109.02813	27.0
109.05734	0.6
111.00694	0.6
113.02306	3.8
115.52219	0.4
118.94072	0.8
119.03384	0.9
121.02824	1.0
123.04373	1.0
125.02306	2.2
128.75644	0.5
131.03368	1.8
132.02129	0.5
133.02818	1.7
135.04391	3.3
138.02966	0.5
139.03905	0.9
145.02829	5.1
146.03659	1.2
147.04399	4.3
148.05191	9.5
149.04428	2.6
149.05914	1.0
159.02902	0.5
159.04417	1.5
161.02371	0.5
161.04453	3.7
169.91861	0.5
171.04445	1.3
172.05246	0.6
173.05972	1.4
174.06262	0.6
183.04417	2.3
185.05931	0.7
209.05962	2.9
211.04091	0.6
211.07576	0.6
219.13686	0.4
222.06769	0.6
225.05531	0.8
229.04942	2.4
231.17578	1.6
235.07562	1.2
237.05544	5.0
238.06265	0.7
247.07758	0.9
251.07274	0.7
253.05057	43.5
254.05829	86.0
255.06578	19.8
257.15402	1.3
263.06998	0.7
263.12833	0.9
264.07858	0.6
265.08823	1.0
266.05658	0.5
267.06638	1.1
269.04492	0.6
274.06342	0.8
275.07120	2.9
275.16498	2.3
276.07776	0.6
277.05191	0.7
278.05920	2.0
279.06476	0.9
280.07465	1.5
281.08246	3.9
282.08606	0.6
283.02505	0.8
292.07288	1.2
293.08182	13.1
293.17514	2.6
315.18170	6.8
319.15451	2.9
337.16568	10.4
337.20578	0.6
338.16946	0.6
367.09436	0.8
385.10782	4.9
403.11896	100.0
404.12210	5.1
409.15213	5.0
411.16577	12.2
412.16556	0.7
447.03958	1.0
447.11758	1.4
447.16724	1.9
447.22305	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	447.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95908	0.4
59.01239	1.7
60.15147	0.4
60.82982	0.3
71.01238	1.1
72.97584	1.5
72.99167	100.0
73.00975	0.8
73.02807	0.7
73.99511	0.6
74.71950	0.3
83.04922	0.4
87.00750	0.4
89.02318	0.6
94.89600	0.3
101.02293	0.6
101.41547	0.4
101.67875	0.5
111.04382	5.9
116.92738	0.5
117.13577	0.4
119.04928	0.7
121.02885	0.5
123.04413	0.8
125.02352	2.0
133.02859	0.6
133.83217	0.4
135.04424	0.6
135.08058	1.7
137.02330	0.4
147.04391	0.5
149.43831	0.4
151.03960	0.4
163.03885	0.5
163.07526	3.2
179.07132	0.7
187.09680	0.4
189.05627	0.9
190.02553	0.5
193.08727	0.4
204.04247	0.4
207.06575	7.6
207.10207	2.8
213.16568	0.5
217.97997	1.7
218.09448	0.4
231.13954	0.4
242.02348	0.5
247.17108	0.7
257.15399	0.7
268.10498	0.5
273.15079	0.6
275.12946	1.3
275.16595	2.9
285.04047	4.4
301.14810	0.8
319.15518	32.2
320.15814	2.4
335.14960	0.6
337.16623	1.9
359.20697	2.1
391.14035	0.9
403.08316	0.9
409.14978	5.9
411.16647	72.9
412.17044	4.9
447.14185	5.1
447.22107	2.2
469.95123	0.5
472.36185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.1
70.12238	0.4
72.59391	0.4
72.97577	1.6
72.99163	100.0
73.00960	1.0
73.02807	0.7
73.08109	0.5
73.44305	0.4
76.04810	0.4
81.65043	0.4
83.01217	0.5
85.02782	0.5
87.59221	0.4
99.04327	0.7
101.02332	0.5
107.01233	1.0
109.02826	0.6
111.04375	2.4
113.02305	1.9
116.81813	0.5
121.02824	0.6
125.02333	1.9
135.08015	0.5
151.00244	3.7
154.72415	0.4
156.30795	0.4
163.00208	0.9
163.07544	1.5
178.99789	1.7
205.52034	0.5
207.06540	5.2
207.10226	1.8
217.97800	1.8
218.09354	0.6
225.07661	0.9
226.02667	0.5
227.03380	1.1
243.02972	2.7
254.02159	0.5
255.02977	6.8
256.03433	0.5
270.99582	1.0
271.02460	11.9
272.03040	0.8
273.15021	0.7
275.12955	1.3
275.16626	0.6
283.02191	0.6
284.03253	1.0
285.04059	1.8
300.02740	18.3
301.03500	13.8
301.14655	0.8
302.04074	0.8
319.15509	20.4
320.15967	1.7
337.16544	7.6
411.16623	76.4
412.16873	5.0
440.28778	0.5
447.09351	15.2
448.09708	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	447.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84652	0.9
59.01246	10.3
59.31599	1.0
59.66858	0.9
63.03154	0.9
63.24081	0.9
70.72308	1.2
71.01234	5.6
72.97412	1.4
72.99167	59.0
73.02797	7.9
75.00748	3.5
85.02844	1.2
89.02309	6.9
93.03340	1.5
95.04889	2.1
95.99902	1.1
97.06477	1.8
99.00737	2.5
99.04403	1.9
101.02303	5.9
108.02024	1.8
109.02814	21.0
113.02324	4.5
123.04391	5.1
125.02318	8.2
125.30480	1.2
131.03441	2.6
133.02856	2.6
135.04420	3.3
135.08076	1.5
138.03056	1.2
139.03908	4.9
145.02841	3.0
147.04340	2.3
148.05203	8.3
149.04459	4.0
149.06018	1.5
151.11177	1.5
153.01808	1.3
161.04495	1.5
163.07521	1.6
165.12747	3.9
177.12737	3.4
191.14285	2.1
193.12248	1.8
197.06073	1.4
209.06032	2.0
213.16336	1.7
217.16025	3.8
219.13823	3.4
229.15991	2.6
231.17514	18.0
233.15460	3.6
235.13487	2.2
235.16975	2.0
236.04599	1.3
237.05559	5.2
247.17027	4.1
253.05072	32.0
254.05835	68.2
255.06570	16.5
257.15436	9.3
263.12994	3.9
263.16708	1.3
273.15186	1.5
275.07037	1.7
275.16531	19.6
278.05804	1.9
281.08173	3.9
291.15875	1.6
293.08316	9.4
293.17584	22.3
295.79572	1.3
301.14371	2.2
315.18182	5.0
319.15573	20.8
337.16595	94.0
338.16785	3.7
348.74207	1.3
365.23163	1.5
385.10873	3.2
387.10956	1.6
403.11902	75.9
404.12317	5.7
409.15021	5.9
411.16629	100.0
412.16855	6.3
447.12515	2.4
447.22211	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	447.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95908	0.4
59.01239	1.7
60.15147	0.4
60.82982	0.3
71.01238	1.1
72.97584	1.5
72.99167	100.0
73.00975	0.8
73.02807	0.7
73.99511	0.6
74.71950	0.3
83.04922	0.4
87.00750	0.4
89.02318	0.6
94.89600	0.3
101.02293	0.6
101.41547	0.4
101.67875	0.5
111.04382	5.9
116.92738	0.5
117.13577	0.4
119.04928	0.7
121.02885	0.5
123.04413	0.8
125.02352	2.0
133.02859	0.6
133.83217	0.4
135.04424	0.6
135.08058	1.7
137.02330	0.4
147.04391	0.5
149.43831	0.4
151.03960	0.4
163.03885	0.5
163.07526	3.2
179.07132	0.7
187.09680	0.4
189.05627	0.9
190.02553	0.5
193.08727	0.4
204.04247	0.4
207.06575	7.6
207.10207	2.8
213.16568	0.5
217.97997	1.7
218.09448	0.4
231.13954	0.4
242.02348	0.5
247.17108	0.7
257.15399	0.7
268.10498	0.5
273.15079	0.6
275.12946	1.3
275.16595	2.9
285.04047	4.4
301.14810	0.8
319.15518	32.2
320.15814	2.4
335.14960	0.6
337.16623	1.9
359.20697	2.1
391.14035	0.9
403.08316	0.9
409.14978	5.9
411.16647	72.9
412.17044	4.9
447.14185	5.1
447.22107	2.2
469.95123	0.5
472.36185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1429
Annotation	Cycloartomunoxanthone
Peak:m/z	Relative Intensity
59.01241	41.8
64.34666	1.1
70.43997	1.1
71.01223	7.3
72.99175	3.5
73.02812	2.7
75.00714	2.8
76.32092	1.1
79.95596	1.8
81.21487	1.3
83.04874	1.8
85.02805	2.0
89.02291	3.5
91.72771	2.1
93.03308	2.1
96.95849	7.6
101.02296	4.8
108.02068	1.2
109.02827	7.1
111.04417	1.4
113.02303	3.8
118.94077	6.3
119.03374	1.5
119.04887	3.0
121.02766	2.6
121.06446	1.4
123.04385	1.1
127.03897	1.1
130.40926	1.1
133.02829	1.5
135.04407	3.5
137.05951	2.9
145.06468	2.3
145.56296	1.2
146.03700	1.3
147.04356	6.2
148.05162	1.8
148.61722	1.1
149.02319	2.7
151.00330	1.2
153.01846	2.7
155.10727	1.9
159.04411	4.0
161.04451	2.2
161.05879	1.1
161.90462	1.3
163.03929	1.7
163.07530	9.7
177.01869	2.0
179.10693	4.9
188.04640	1.4
189.05428	2.5
197.11777	1.8
202.43666	1.1
205.01366	1.5
206.71027	1.3
207.06535	2.1
217.12440	1.2
224.04790	1.2
225.05446	1.5
225.07594	1.2
227.03485	6.8
227.14322	1.3
231.13824	3.3
249.00484	2.7
255.02994	7.0
257.15451	2.7
259.38831	1.4
267.06650	1.9
268.07480	2.6
269.00848	8.3
269.08350	8.0
275.16510	19.0
284.03262	3.2
293.17609	5.1
301.14542	5.2
313.07355	2.9
319.15530	12.7
329.13956	2.3
337.16504	19.1
346.98203	1.5
347.02136	1.8
347.14764	1.6
355.17548	16.8
362.00891	4.2
365.16046	14.8
383.17160	23.0
387.20267	4.0
393.15503	17.4
394.15781	1.5
403.04318	2.3
409.15247	2.1
411.16626	16.3
447.04694	16.2
447.09848	5.0
447.14319	100.0
447.22171	12.2
448.14526	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39392	0.8
59.01247	2.0
76.37704	0.9
78.95760	25.3
78.96203	1.6
82.71891	0.7
84.88267	0.8
89.03828	1.6
91.73283	1.1
96.96830	3.6
98.51275	0.7
102.93013	0.8
106.25941	0.9
106.36477	0.7
117.03352	7.2
119.04909	2.2
122.88635	0.8
136.05167	1.9
145.02834	49.7
146.03638	8.7
147.04408	65.9
148.04759	1.7
149.05983	3.7
152.99480	52.3
160.05209	1.1
171.00604	2.9
173.02377	6.3
173.06030	1.3
174.06711	1.9
175.03928	18.0
187.03929	1.8
191.03418	1.1
200.93843	1.1
201.01871	100.0
202.02528	4.9
202.06319	3.2
202.09940	2.0
203.03462	9.3
217.12276	8.2
244.11105	7.8
245.11816	41.8
246.12302	1.9
279.23425	2.3
324.50616	1.0
375.15973	2.0
419.15079	5.9
435.22559	0.9
447.14450	23.7
447.24664	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	447.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77191	0.4
52.16574	0.5
57.03323	0.7
58.00462	1.2
59.00060	1.2
59.01242	66.4
59.02303	1.0
59.02568	1.0
62.71192	0.4
67.23320	0.4
67.43706	0.4
69.03308	7.1
70.99674	1.2
71.01239	68.9
72.99165	1.3
73.02805	11.8
75.00738	3.0
81.03310	4.6
83.01246	5.4
85.02805	9.4
87.00734	2.2
89.00089	1.5
89.02296	100.0
89.04728	1.1
90.02630	1.0
95.01243	2.5
97.02326	0.3
97.02807	13.1
99.00739	17.4
99.04369	2.2
101.02301	16.8
111.00728	1.9
113.02307	9.1
115.03865	9.6
117.01783	0.7
119.03393	2.6
123.00745	31.9
125.02310	48.7
126.02755	0.6
127.03884	2.2
127.92728	0.6
131.03377	11.3
138.03104	36.4
143.03362	4.6
149.04454	14.7
152.99611	0.5
153.01826	0.6
153.05447	6.9
153.35872	0.5
155.59476	0.6
161.04451	3.6
162.23517	0.6
173.04408	1.1
175.06001	0.8
191.05560	8.5
215.05414	0.9
233.06638	41.0
234.07082	0.6
293.08798	38.5
294.08984	1.0
297.43347	0.5
305.21332	0.5
397.26785	0.7
441.81738	0.7
447.14441	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02009	7.0
51.10289	7.9
54.59285	6.4
55.01767	7.8
59.01239	88.4
68.97801	8.2
71.01244	44.5
72.99155	17.0
73.02791	21.0
75.00719	13.0
76.49780	8.8
82.14307	8.6
85.02810	31.0
87.27798	8.4
89.02295	43.7
92.14617	7.4
93.03306	19.2
96.95863	13.4
97.28370	7.6
99.00718	13.7
101.02290	42.3
108.02065	13.0
109.02834	39.5
113.02294	15.1
119.03310	8.4
124.90281	8.8
125.02290	18.1
131.03386	11.0
135.04395	17.8
147.04390	10.0
153.01845	29.2
159.91487	9.0
161.04410	13.2
172.05254	10.0
175.03923	14.9
179.03404	9.5
201.05608	14.9
251.07228	8.9
269.08197	9.9
272.10458	10.5
286.12070	13.4
287.12946	39.2
315.18201	55.3
387.10818	51.1
409.15332	11.7
411.20566	10.9
429.22952	11.3
430.74527	11.2
447.02982	12.6
447.12582	14.7
447.17044	13.1
447.22717	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59892	13.9
57.81386	16.2
58.44601	16.3
59.01253	100.0
67.63220	16.5
71.01256	46.0
72.99166	98.4
78.48965	19.8
79.79181	15.1
81.03323	31.4
85.02808	31.8
88.59573	17.0
93.03323	30.3
97.17288	18.4
101.02315	25.6
107.01276	20.4
109.02814	58.6
125.02315	30.1
135.04396	77.7
137.02364	18.4
151.00291	69.2
152.01027	71.0
153.01817	77.1
165.05437	35.6
167.03395	46.2
269.04608	20.2
287.13010	48.5
314.14996	23.7
315.18094	37.0
384.10086	26.6
387.10977	65.7
403.11322	23.8
409.14908	35.5
411.16449	28.6
429.13626	28.5
447.07300	54.1
447.17270	33.2
447.22455	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2157
Annotation	Cochinchinone A
Peak:m/z	Relative Intensity
59.01241	4.5
61.98421	0.4
61.98687	2.6
63.44033	0.3
63.59487	0.3
70.89423	0.3
78.93859	0.7
78.95760	49.3
96.96820	5.2
96.97389	0.5
98.29578	0.4
115.43161	0.3
119.04884	0.8
121.02826	0.6
145.02831	2.0
150.97910	2.3
152.94241	1.0
152.99475	100.0
153.99863	0.6
162.92633	0.3
163.03917	0.7
171.00546	4.8
286.91614	0.4
293.21286	0.4
447.01761	0.7
447.21457	15.4
448.21988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	4.5
61.98421	0.4
61.98687	2.6
63.44033	0.3
63.59487	0.3
70.89423	0.3
78.93859	0.7
78.95760	49.3
96.96820	5.2
96.97389	0.5
98.29578	0.4
115.43161	0.3
119.04884	0.8
121.02826	0.6
145.02831	2.0
150.97910	2.3
152.94241	1.0
152.99475	100.0
153.99863	0.6
162.92633	0.3
163.03917	0.7
171.00546	4.8
286.91614	0.4
293.21286	0.4
447.01761	0.7
447.21457	15.4
448.21988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43549	7.6
57.98257	10.3
59.01241	62.7
61.98684	10.6
63.59105	8.3
71.01241	17.3
78.95763	12.4
89.02337	13.3
91.72694	20.0
93.03294	13.8
95.04908	12.4
102.01579	10.3
105.03355	12.0
107.04841	10.8
112.22990	9.8
119.04877	17.6
121.02804	16.3
133.02832	56.0
134.03662	23.2
135.04393	43.7
137.02313	12.1
145.02826	33.6
147.38161	11.1
152.99414	24.3
155.03403	13.0
160.01550	11.0
161.02321	70.6
163.04010	12.7
169.42336	10.6
177.01811	18.4
179.03410	30.5
188.30956	11.4
249.18710	49.5
291.19754	42.6
362.66275	13.7
432.24930	17.8
447.22867	41.5
447.27570	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	19.4
65.30701	1.8
67.02404	2.0
67.73473	1.9
71.01241	16.6
78.95763	3.6
83.87609	1.9
89.02297	5.7
98.24007	2.1
101.02282	3.4
109.02898	2.1
117.03353	2.9
127.81300	2.6
133.02827	21.9
134.03537	3.1
137.02332	2.1
145.02870	5.4
152.99460	3.4
160.01454	2.6
163.03897	6.4
176.65393	2.5
177.01846	9.3
249.18575	100.0
259.09506	2.4
263.20151	3.1
273.18713	4.6
273.41232	2.4
277.94028	2.3
291.19733	10.8
303.63361	3.2
321.20810	5.4
432.24878	3.1
447.27673	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	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.2
57.02378	0.2
57.03314	1.9
58.00454	0.4
59.00025	0.2
59.01242	16.3
59.02597	0.2
61.98664	0.3
62.90097	0.2
69.03311	0.7
70.99615	0.4
71.01237	30.3
72.99161	1.5
73.01121	0.2
73.02802	16.7
75.00728	1.2
81.03311	0.4
83.01240	6.1
85.00697	0.2
85.02805	16.4
85.99944	0.7
87.00730	1.5
89.02296	7.2
95.01244	2.1
95.95115	0.2
97.02805	2.0
99.00083	0.3
99.00735	6.8
99.04404	0.3
100.99581	0.4
101.02301	32.9
109.02810	1.0
111.00753	0.5
113.02303	14.7
115.03880	1.0
119.03381	0.3
125.02315	2.0
125.18277	0.2
129.01807	1.1
131.03378	1.8
143.03398	1.9
148.05258	0.3
149.04454	1.6
153.12749	0.6
159.02882	3.8
160.98978	0.2
161.04451	18.1
179.05547	0.3
179.15921	0.2
191.05595	0.4
196.25836	0.2
205.03401	0.3
223.13403	0.3
233.06659	1.6
235.52699	0.2
245.01129	0.2
253.05064	1.4
254.05832	3.3
255.06558	1.1
281.08267	0.2
293.08493	0.9
315.18155	28.7
316.18530	1.1
359.17300	0.4
366.90283	0.2
403.07278	0.2
403.11951	3.6
404.11505	0.2
409.15024	1.6
411.16589	0.6
447.22375	100.0
448.22742	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	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.6
57.03302	1.3
59.01242	18.5
59.02395	0.4
62.84127	0.3
62.90067	0.4
69.03320	0.5
71.01238	24.7
71.02767	0.4
72.99144	0.5
73.02803	16.0
75.00724	0.8
83.01241	7.2
85.02805	15.3
85.99944	1.0
87.00716	1.4
89.02298	6.2
92.00860	0.3
93.14410	0.7
93.14915	0.5
95.01242	1.6
97.02799	1.6
99.00739	5.7
101.02302	32.6
102.02634	0.6
109.02818	0.7
111.00755	0.9
113.02302	12.4
115.03867	1.7
125.02345	2.3
129.01796	0.5
131.03377	1.4
143.03374	1.9
145.54817	0.5
149.04427	1.0
153.12733	0.8
159.02904	2.8
159.04224	0.4
161.04448	12.5
162.70697	0.4
171.13812	0.6
196.25633	0.5
205.64784	0.4
223.13380	0.6
233.06635	1.2
254.05766	1.1
268.86496	0.4
274.58728	0.5
293.08780	1.1
302.25577	0.5
315.18158	37.3
316.18323	1.4
366.90109	0.8
367.14023	0.7
403.11761	0.7
447.22379	100.0
448.22745	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	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84982	0.2
52.89983	0.2
55.01746	0.5
57.03320	1.6
59.01243	12.2
69.03310	0.7
71.01239	27.7
72.01567	0.3
72.99168	1.2
73.02804	14.2
75.00719	0.7
81.03300	0.6
81.20293	0.2
83.01241	5.5
85.02805	14.4
85.04739	0.3
85.99953	0.5
87.00747	1.6
89.02293	6.0
93.14380	0.3
95.01244	1.7
97.02812	1.7
99.00734	5.7
100.99442	0.3
101.02303	27.9
111.00742	0.5
113.02306	13.5
115.03867	0.8
123.00729	0.3
125.02315	2.4
129.01788	0.9
131.03374	1.1
133.49973	0.2
143.03365	1.6
149.04424	0.6
153.12758	0.6
159.02895	3.0
161.04446	16.7
162.04752	0.3
175.90895	0.3
191.05515	0.3
196.25771	0.4
206.85661	0.3
233.06589	1.3
253.04903	0.4
254.05846	0.8
293.08670	0.7
315.18164	26.9
316.18503	1.0
366.90222	0.5
403.12106	1.2
409.14847	0.5
447.22385	100.0
448.22751	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	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03798	0.3
52.71065	0.3
55.01756	1.2
57.03308	1.7
59.01244	20.1
59.02419	0.3
62.90076	0.3
69.03311	0.9
71.01238	29.2
71.02799	0.4
72.99179	0.7
73.02804	16.8
73.04417	0.3
75.00729	0.8
76.05933	0.3
83.01237	6.8
85.02803	17.1
85.99956	0.7
87.00731	1.8
89.02299	8.1
93.14390	0.6
93.14895	0.4
95.01234	2.0
97.02798	1.7
99.00735	6.6
99.04377	0.4
101.02302	35.3
101.04984	0.5
105.92300	0.3
111.00752	0.8
113.02304	14.0
115.03904	1.1
118.04166	0.4
119.03407	1.1
125.02321	2.5
129.01822	0.5
131.03381	1.9
143.03383	1.8
149.04453	1.2
153.12698	0.4
159.02869	3.4
161.04449	14.0
162.04846	0.4
191.05516	0.5
196.25732	0.4
223.13383	0.7
233.06685	1.7
287.12976	0.4
293.08792	1.1
298.57980	0.4
315.18158	42.9
316.18536	1.6
359.17401	0.4
366.90192	0.6
387.10825	1.4
447.22375	100.0
447.47568	0.8
448.22736	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50499	0.8
57.03303	2.8
58.00443	0.8
59.00114	1.6
59.01243	100.0
59.02480	1.6
61.98672	0.8
67.91121	0.7
70.72688	0.7
71.01239	29.7
71.04868	1.5
72.99168	6.4
73.02810	20.4
73.58443	0.8
74.02302	1.4
75.00716	0.9
81.03335	0.8
83.01244	8.4
83.04871	1.2
84.07943	0.8
85.02808	13.4
87.00728	2.7
89.02293	14.4
93.03326	0.9
95.01234	2.3
96.95850	1.1
97.02806	2.0
99.00726	3.1
99.04366	2.8
101.02303	41.9
101.05961	1.5
111.00713	2.3
113.02310	14.2
114.09071	0.7
115.00220	3.5
115.03891	1.3
119.03374	6.8
121.06425	1.0
125.02294	4.4
128.03378	2.0
131.03348	2.4
135.08067	1.1
137.09604	2.2
139.11197	1.0
143.03419	4.7
149.04396	1.5
149.09561	1.3
161.04442	7.4
161.09633	1.0
161.13264	3.8
163.11183	16.2
167.10716	0.9
168.78032	0.9
173.04536	1.8
175.02405	7.2
179.05533	2.9
179.10709	1.4
179.14302	8.3
181.12302	1.0
195.13853	1.6
204.32506	0.9
205.12198	1.0
207.10262	1.0
207.13931	0.9
211.13286	1.7
223.13409	6.0
223.16934	8.1
225.14880	1.1
243.15982	9.1
255.27864	1.0
267.06607	1.3
267.12939	1.7
267.16031	17.2
285.17130	3.6
307.15009	1.0
319.15469	1.1
322.83273	0.9
339.18185	2.2
387.15829	1.0
387.20331	12.7
403.19904	1.5
405.21329	46.9
406.21777	1.2
411.16681	2.6
447.18079	5.5
447.22418	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50420	0.5
57.03316	1.6
59.00097	1.7
59.01243	100.0
59.02512	1.4
60.01579	0.9
61.98702	0.8
69.03310	0.8
71.01239	33.7
71.04890	1.2
72.99175	2.6
73.02804	5.7
75.00735	0.8
78.78858	0.6
83.01255	2.4
85.02814	8.3
87.00742	2.4
89.02297	37.7
93.03316	1.1
95.01247	2.1
95.04903	1.5
97.02790	0.8
97.06448	0.9
99.00748	2.1
101.02309	23.5
101.02951	1.6
113.02305	17.3
115.00285	3.0
115.07529	3.2
119.03371	16.9
119.04159	1.1
121.02919	0.8
125.02344	0.8
129.09097	1.0
131.03450	1.9
133.02882	0.8
134.03578	0.9
138.06731	3.5
143.03401	3.3
145.54800	0.9
149.04497	2.2
153.09100	10.2
161.04468	16.0
161.05792	1.2
166.82501	0.8
173.00702	0.8
175.02441	5.1
179.05539	8.8
179.07016	0.8
192.41725	0.8
193.17667	0.7
205.12268	0.9
207.13844	1.4
209.11867	1.6
211.13332	1.2
223.17136	2.0
225.14919	25.8
226.15346	0.8
240.57198	0.7
246.96198	0.8
247.75806	0.8
267.15982	5.1
267.82889	0.8
270.30902	0.7
285.17084	16.6
289.98819	0.7
313.99152	0.8
385.13318	0.8
387.20303	18.9
410.52869	0.9
447.22577	22.6
448.22870	2.2
453.96155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54509	0.8
55.01751	2.0
57.03317	2.2
58.00454	1.4
59.00008	1.6
59.01242	100.0
61.98688	2.8
64.53893	0.8
65.55202	0.8
69.03306	1.0
71.01239	54.1
71.04876	6.6
72.99160	3.4
73.02804	9.2
75.00739	1.1
81.03300	2.6
83.01244	3.7
83.04908	1.1
85.02805	14.2
87.00740	1.8
89.02297	57.4
93.31772	1.1
95.01244	3.0
96.81207	1.0
97.02834	3.1
97.06441	2.0
99.00750	2.5
99.04375	2.3
101.02303	38.5
104.14883	1.0
107.04862	1.1
113.02311	25.5
115.03875	45.8
119.03365	22.3
121.10067	1.5
125.02307	1.7
131.03374	2.3
137.09618	2.2
143.03362	4.7
149.04510	1.9
151.00278	1.6
159.02859	1.2
161.04439	10.1
167.59438	1.0
179.05542	6.0
189.12756	1.6
190.54765	1.2
191.05663	1.3
191.14334	21.8
211.13283	2.0
215.41055	1.1
227.03545	1.5
235.13356	16.2
243.03076	2.1
253.14453	14.7
255.02991	4.5
271.02408	7.3
284.03162	2.1
295.15729	1.2
300.02808	9.4
301.03500	7.7
302.04303	1.3
310.12439	1.3
324.92075	1.1
387.11063	2.0
415.19806	14.0
447.09399	7.8
447.15552	2.5
447.25861	3.6
457.70731	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12837	0.9
57.03325	1.5
57.30661	0.8
57.34029	0.8
58.00449	1.1
58.99996	1.0
59.01243	72.9
59.02371	1.1
60.01584	1.1
71.01238	30.5
72.99171	1.5
73.02816	2.8
75.27209	1.0
83.01245	2.9
83.04902	1.3
85.02814	7.7
85.24522	1.1
87.00749	2.5
88.98676	2.1
89.02296	38.6
89.02835	2.0
93.03312	7.3
95.01273	2.4
96.95896	2.8
98.95493	1.1
99.00780	1.6
101.02304	23.9
109.02850	3.1
111.04334	1.2
113.02321	14.1
119.03368	19.5
119.04850	1.2
121.02905	1.2
125.02307	7.4
131.03384	1.6
135.04414	1.8
136.79942	1.1
137.02339	4.2
138.03085	7.2
139.03870	1.7
139.44681	0.9
143.03369	1.3
145.54903	1.3
149.02357	1.6
149.04414	1.4
150.03142	2.0
151.00203	1.2
153.01776	1.4
153.05492	6.8
161.04533	2.4
161.05844	1.0
165.01866	1.5
167.03432	2.5
177.01904	1.7
178.05022	1.9
179.03456	3.0
179.05573	4.8
203.03557	1.6
205.15985	3.4
207.10149	1.7
211.07501	2.4
219.06628	1.3
226.06110	1.6
231.06712	1.5
231.13864	1.9
249.15068	4.2
255.06723	4.5
267.06659	13.2
267.16022	19.9
285.07788	5.3
285.17084	2.5
305.06741	13.3
317.06775	1.4
387.20316	3.9
411.10870	3.8
429.21701	1.6
446.21243	2.2
447.22311	100.0
448.22882	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	447.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80373	0.5
57.03318	0.5
58.87785	1.2
58.88042	0.6
59.01247	2.8
59.29979	0.4
61.98692	1.2
63.38675	0.6
69.91012	0.6
76.41074	0.5
78.95763	5.4
85.36568	0.5
93.03333	0.7
96.95831	0.8
96.96836	0.6
98.03951	0.5
98.31133	0.5
103.27096	0.5
117.03327	16.5
119.04895	56.9
119.08456	0.7
120.05235	0.7
121.02822	0.7
133.02803	1.8
138.54213	0.5
145.02841	100.0
145.07574	1.2
146.03188	2.1
152.99467	10.1
156.83546	0.5
161.02330	4.4
163.03914	44.7
164.04260	0.6
199.80220	0.5
207.65878	0.6
221.19063	10.3
221.61586	0.5
229.02838	0.6
239.20155	0.9
265.18085	5.9
266.18359	0.7
267.26715	0.5
283.19168	12.5
300.02905	0.7
301.20224	22.5
302.20667	1.2
403.83444	0.6
429.22806	2.2
447.23914	70.6
448.24265	3.9
448.30130	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.239
Annotation	Ugaferin
Peak:m/z	Relative Intensity
51.80387	0.3
51.91013	0.3
57.03309	0.5
58.87783	0.9
58.88029	0.4
59.01246	2.0
60.90822	0.4
61.60877	0.4
61.98693	1.0
71.86174	0.4
78.95766	2.9
93.03316	1.7
96.95876	0.9
96.96827	0.9
113.09617	0.5
115.63680	0.4
117.03332	19.0
119.01297	0.9
119.04892	49.2
120.05259	0.9
121.02814	1.0
123.04382	0.7
125.81088	0.4
133.02840	3.2
134.03618	1.2
134.27837	0.4
135.04391	3.9
137.02313	1.3
144.37807	0.4
145.02834	100.0
146.03188	1.1
152.99480	5.3
155.03374	1.0
159.43025	0.4
161.02332	12.1
163.03905	38.8
171.30966	0.4
179.03429	1.8
221.19051	9.7
221.21230	0.5
222.19647	0.4
231.62761	0.4
232.07753	0.4
237.00996	0.4
239.20207	0.9
257.19220	0.4
262.91913	0.4
265.18112	5.0
283.19144	10.7
285.20764	0.9
291.19699	0.5
301.20206	21.3
302.20770	0.7
316.69308	0.4
429.22900	1.5
447.23877	67.6
448.24188	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	447.252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41263	0.9
59.01233	1.8
59.23913	0.9
70.42463	1.0
78.95757	15.8
91.58048	1.0
96.96853	1.8
99.31063	1.0
110.98383	3.7
151.68819	1.0
152.99463	25.7
166.64989	1.0
171.00642	1.5
185.02162	3.5
239.94037	1.2
279.23297	100.0
280.23666	3.0
447.25293	9.3
460.23483	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65539	0.3
55.63509	0.5
58.99890	0.9
59.01242	87.3
59.02440	1.6
60.01581	0.5
61.98688	0.7
62.70681	0.4
66.14816	0.4
71.01263	0.4
72.01118	0.3
75.69823	0.3
76.78745	0.6
81.74898	0.4
83.01199	0.3
89.02296	0.8
90.07933	0.4
91.03854	2.6
96.95847	0.6
113.09608	0.4
127.11135	0.5
141.12732	0.8
143.49510	0.4
145.02849	0.6
147.04341	0.4
161.00638	0.4
177.47729	1.6
196.91159	0.4
197.42390	0.4
216.63312	0.4
241.21741	0.7
255.02495	0.4
269.21234	8.6
274.17365	0.4
285.04376	0.5
285.20630	0.6
287.22284	51.6
288.22687	2.5
300.02750	0.9
301.03537	1.0
329.23346	100.0
329.38818	0.9
330.23663	5.2
339.81854	0.4
363.24588	0.4
447.09158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02265	0.3
55.14977	0.3
55.70294	1.5
59.01242	2.3
61.98689	0.8
63.97578	0.4
77.03836	0.5
78.95755	0.5
80.67542	0.4
81.01778	0.4
89.03816	1.0
94.33035	0.3
95.04868	2.1
105.03312	9.2
107.04884	0.5
109.02852	0.4
117.03316	1.1
119.04895	2.0
121.02831	1.2
123.04396	1.4
132.02039	3.3
133.02826	70.7
134.03674	9.0
135.04358	1.0
136.01558	1.0
137.02303	4.7
139.03880	1.6
145.02806	1.5
147.04417	1.3
148.05211	0.4
149.02388	0.4
149.05971	1.3
150.03127	1.0
151.02072	0.4
151.03864	0.5
152.99496	0.5
153.05502	0.6
160.01543	10.6
160.90189	0.4
161.02338	2.6
161.06000	1.3
162.03107	2.1
163.79471	0.4
175.03906	8.2
177.01843	17.4
178.02611	5.9
179.03340	0.7
192.04257	0.6
193.04991	4.3
199.05717	0.3
208.44672	0.3
222.81194	0.4
290.18576	0.4
322.07339	0.4
361.20203	1.0
375.22086	0.6
387.33841	0.5
415.24963	0.7
432.25168	20.3
433.25595	1.6
447.27502	100.0
448.27859	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	447.2753
Annotation	16-Feruloyloxypalmitate
Peak:m/z	Relative Intensity
55.70283	1.3
59.01231	1.4
60.86861	0.3
66.69847	0.3
71.53514	0.3
76.57970	0.3
77.03828	0.8
77.20571	0.3
77.81667	0.3
78.95753	0.7
93.03321	0.4
95.04891	2.4
105.03326	8.0
119.04900	1.4
121.02827	0.7
123.04395	1.6
124.40179	0.4
132.02043	2.1
133.02827	65.3
133.17181	0.4
134.03633	9.9
135.04309	1.0
136.01555	1.0
137.02348	4.1
139.03888	1.3
145.02859	0.8
147.04410	1.7
148.05226	0.6
149.02383	0.5
149.05978	1.4
150.03084	0.8
151.03900	0.7
152.99477	0.8
153.05432	0.7
157.24580	0.4
160.01549	9.7
160.90355	0.5
161.02348	2.4
161.05972	1.3
162.03157	1.2
163.03824	0.4
175.03914	7.7
177.01842	17.0
178.02629	6.3
179.03346	0.8
181.23619	0.4
192.04173	0.5
193.04974	3.6
194.02116	0.7
289.51135	0.4
310.09464	0.4
328.78262	0.4
336.41202	0.4
360.62738	0.4
415.24969	0.5
432.25183	18.9
433.25470	1.1
447.27551	100.0
448.27896	7.0
463.14178	0.4
465.16342	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2753
Annotation	16-Feruloyloxypalmitate
Peak:m/z	Relative Intensity
53.64217	0.3
59.01234	0.5
62.65161	0.4
63.77482	0.3
66.23893	0.9
73.72560	0.3
93.03305	0.6
95.04886	0.7
101.16482	0.3
105.03326	4.9
111.06097	0.4
117.03298	0.4
118.14866	0.4
118.19895	0.3
121.02834	0.9
123.04401	0.8
131.94507	0.4
132.02037	8.8
133.02827	26.6
134.03616	18.2
135.04404	5.7
136.01569	0.3
137.02315	4.3
137.26570	0.3
139.03864	1.4
148.05173	4.1
149.05911	1.3
150.03122	0.8
152.99464	0.5
160.01555	48.1
161.02347	11.4
161.05966	4.6
162.03065	1.2
174.97469	1.0
175.03914	100.0
175.09572	1.1
176.04239	2.7
177.01851	1.3
178.02638	2.4
179.03410	3.5
193.04994	7.5
194.02029	0.6
204.11407	0.8
205.04915	0.6
225.22131	0.5
233.08185	1.6
247.09744	2.6
260.17758	0.6
261.11371	2.4
271.22791	12.3
272.23203	0.5
275.12967	1.9
289.14526	1.6
303.15921	1.8
317.17654	2.1
331.19113	1.2
332.19168	0.4
344.27094	0.5
345.20764	4.7
347.25854	2.0
359.22223	1.5
387.25421	0.6
415.24969	8.8
416.25317	0.8
429.26254	0.6
432.24902	0.4
447.27554	82.8
448.27924	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	447.2906
Annotation	Dodecanyl oroxylopterocarpan
Peak:m/z	Relative Intensity
57.03321	1.5
59.01229	1.0
66.03701	1.1
67.08184	0.9
77.25415	1.1
79.67789	1.1
91.73302	1.3
93.46390	1.0
99.08040	1.8
104.09258	1.1
107.04884	1.3
133.06467	2.1
147.08040	1.7
154.13225	1.2
157.06544	2.2
161.05911	1.5
185.06084	1.3
196.22626	1.3
211.11275	1.2
217.12302	2.6
225.12801	1.3
229.12340	1.9
231.14000	1.3
246.43526	1.2
251.14500	2.1
253.12363	3.1
263.14398	1.6
276.85861	1.5
317.19098	2.2
329.19107	3.5
345.22446	5.0
347.20428	2.5
354.21448	1.5
363.23288	1.3
417.27814	1.8
425.83575	1.4
429.28110	6.9
447.29102	100.0
448.29431	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	447.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49997	0.8
59.01237	2.4
60.17595	1.0
63.27057	0.9
64.10401	0.9
64.62020	0.9
66.05006	1.0
69.03320	1.3
88.46021	1.3
90.10616	1.3
97.29121	1.1
112.93380	1.1
113.35798	1.1
121.02855	2.3
131.85045	1.2
158.77425	1.2
181.86702	1.1
253.21729	100.0
254.22079	3.3
255.23286	1.9
272.82288	1.3
281.18555	1.2
305.09085	1.3
327.26810	2.4
331.30228	1.5
341.21216	1.9
343.26343	2.5
345.28110	2.5
359.29666	4.7
383.14911	1.5
385.29498	7.8
387.25439	6.1
389.27005	6.7
429.28320	4.8
447.21838	1.6
447.30908	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	448.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	9.8
63.07580	1.3
67.24040	1.3
80.76119	1.2
85.06477	1.6
96.23940	1.4
103.26176	1.6
106.04171	1.9
119.04959	1.8
121.02863	3.0
152.99510	1.5
226.94930	1.5
232.17697	2.0
233.19186	5.8
258.19434	3.7
261.18735	7.3
301.25476	3.6
317.24875	42.5
318.25766	2.3
319.26422	78.0
320.26813	2.7
322.27499	2.2
326.25757	4.3
348.44653	1.8
363.25452	100.0
364.25793	3.7
365.26492	2.0
366.26407	2.2
388.25836	15.2
390.25949	1.7
432.38480	1.7
448.23074	29.0
448.28726	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00451	2.9
59.01244	5.5
59.88770	0.6
61.98690	1.3
62.52796	0.7
65.10820	0.7
66.22144	0.6
87.59229	0.8
89.45158	0.6
89.86189	1.0
92.71066	0.7
96.95841	1.7
101.67714	0.7
119.04871	0.9
133.06346	0.9
153.01860	1.0
163.03876	1.1
165.05476	13.7
165.06912	1.4
187.07599	1.5
193.06520	1.7
209.06044	1.3
211.90190	1.1
213.05544	1.7
214.06345	2.9
215.14368	1.0
217.15965	5.1
221.06000	1.9
227.14404	1.0
234.06847	10.4
237.05496	7.5
245.15540	3.5
246.15465	0.9
249.05780	1.0
249.09114	0.9
252.04266	1.6
265.05093	2.2
267.06506	1.4
271.13422	15.5
273.15060	4.6
279.06601	0.8
281.04556	31.5
282.04944	1.0
286.04837	2.0
289.14365	2.1
293.04425	1.0
293.08206	1.0
296.06848	2.4
301.07205	2.6
309.04059	29.5
310.04486	1.4
317.13943	1.3
324.06348	7.0
333.13571	6.7
337.03571	16.1
349.25095	0.9
351.05154	1.1
352.05902	69.8
353.06277	4.2
361.12836	2.9
367.08240	100.0
368.08423	4.2
389.12326	1.5
449.08490	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22306	0.5
53.57423	1.1
54.19420	0.6
54.67715	0.6
57.03315	7.9
59.01229	2.8
61.98680	0.8
65.00178	2.6
74.34770	0.7
79.04726	0.6
80.65668	0.6
81.03306	2.4
83.01247	6.8
89.02312	0.7
93.03320	2.1
93.25597	0.7
94.40343	0.8
97.02817	1.6
105.73100	0.6
107.01240	5.7
107.04891	1.8
108.02100	0.8
108.51871	0.6
109.02853	1.7
111.00732	0.7
113.02338	0.7
116.92725	1.3
117.02570	0.8
117.03345	2.4
117.48418	0.6
121.02818	1.5
123.04367	1.6
124.01511	1.3
125.02312	100.0
126.02689	1.8
133.02823	3.1
139.03899	2.5
145.02887	0.8
149.02341	9.3
151.00262	23.3
152.01056	4.7
153.01799	7.1
155.04939	1.0
156.05629	0.7
157.06493	1.2
159.04376	1.0
163.00258	0.9
165.01836	1.4
167.03426	1.5
169.06569	1.1
172.05191	1.5
173.05989	4.9
175.03841	1.0
176.01106	1.6
177.01878	1.0
177.05510	2.9
178.62187	0.7
178.99776	14.8
179.03355	4.2
181.01083	0.7
197.06059	3.0
199.07509	1.0
201.05569	3.7
207.27930	0.8
213.05515	1.3
215.07106	4.7
225.05460	3.9
241.05034	3.5
243.06615	4.9
251.76730	0.8
259.06128	73.1
260.06409	2.4
269.04578	70.0
270.04932	2.3
283.06201	1.1
287.05630	54.6
287.08920	1.9
288.05872	1.0
296.26471	0.7
311.05661	2.7
342.05981	2.3
421.11386	1.8
449.10916	72.6
450.11182	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	449.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57420	0.8
53.57658	0.3
57.03313	4.1
57.38438	0.2
59.01244	7.2
60.75405	0.3
63.02251	1.9
64.21999	0.3
65.00188	2.7
71.01239	2.3
72.99175	0.9
73.02798	0.5
81.03308	1.3
82.99200	0.3
83.01233	4.8
83.67902	0.7
83.68369	0.5
83.85204	0.3
85.02799	0.8
88.64735	0.3
89.02291	1.3
93.03307	2.2
95.01248	2.7
96.02048	0.8
99.04359	0.8
101.02310	1.5
107.01249	3.9
108.02055	0.4
109.02808	1.0
111.00735	1.2
113.02309	1.3
119.03358	0.9
121.02808	0.8
123.00781	1.8
123.04358	0.4
124.01532	8.6
125.02313	51.7
129.35626	0.3
130.04140	0.5
131.03317	0.3
131.04903	1.3
133.02824	1.7
134.03609	1.4
135.00758	0.3
135.04379	1.1
137.02295	1.5
139.00247	1.0
140.01038	0.5
143.04852	0.4
150.03090	0.3
151.00258	9.1
152.01042	16.6
153.01840	2.0
156.05692	0.9
157.06483	1.3
158.03601	0.7
159.04414	1.0
161.04398	0.4
165.01831	5.4
169.01381	0.8
172.05193	1.2
173.05981	4.4
175.03928	0.6
175.07578	0.4
176.01115	0.4
176.04559	0.4
177.05469	4.3
178.99756	4.7
179.05524	0.3
180.00548	2.4
181.06442	0.3
183.04515	0.3
187.07573	0.4
197.06075	0.5
199.03935	0.6
199.07571	2.6
200.04643	0.8
201.05498	6.0
203.03392	1.2
213.05513	1.0
214.06259	0.4
215.07076	4.9
219.06586	1.0
222.30463	0.6
224.01636	0.3
225.05589	0.8
240.04326	0.9
241.05077	2.0
242.05884	0.4
243.06621	8.5
244.07040	0.3
259.06119	52.4
260.06433	1.6
263.12918	0.4
267.88699	0.3
268.03851	0.7
269.04572	3.9
286.92630	0.5
287.05624	36.9
288.05838	0.9
307.07803	0.4
363.16739	0.5
389.21948	2.6
405.17606	3.7
431.10077	0.7
448.85022	0.8
449.10910	100.0
450.11292	4.0
460.96478	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1092
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
53.57430	1.0
53.57655	0.5
57.03317	3.8
59.01236	1.9
61.98696	0.5
63.02260	2.2
65.00182	3.5
69.01958	0.4
69.65040	0.4
71.01245	0.7
72.99164	0.6
79.99278	0.4
81.03326	1.5
83.01237	5.1
83.67940	1.0
83.68366	0.5
88.64751	0.5
88.98648	0.4
89.02299	1.0
93.03314	2.6
95.01244	2.8
96.02015	0.6
96.95862	1.0
101.02279	0.5
107.01247	4.1
107.02461	0.4
108.02012	0.6
109.02821	1.7
111.00728	1.2
115.03839	0.5
121.02808	1.1
123.00746	1.8
123.04433	1.0
124.01538	7.1
125.02312	55.3
126.02644	0.9
128.03387	0.8
131.04944	1.0
133.02849	1.3
134.03633	1.6
137.02362	2.1
139.00288	0.9
149.05968	0.5
150.03107	0.6
151.00249	8.7
152.01039	16.8
153.01822	2.0
156.05679	0.9
157.06467	1.4
158.03645	0.8
159.04433	1.0
160.96864	0.5
164.03239	0.4
165.01817	6.3
166.02452	0.4
169.01350	0.7
171.04362	0.7
172.05162	1.5
173.05966	4.5
175.03954	0.7
175.07523	0.5
176.04698	0.5
177.01988	0.7
177.05487	4.4
178.99791	6.7
180.00552	1.9
197.05943	0.6
199.03867	0.5
199.07593	1.7
200.04686	0.8
201.05493	7.5
203.03450	0.9
205.78337	0.4
213.05620	1.2
214.06221	0.7
215.07069	5.0
219.06598	1.3
225.05544	0.7
240.04182	0.8
241.04994	2.7
243.06604	9.4
259.06119	62.0
260.06464	1.5
268.03912	0.8
269.04602	5.1
269.13968	0.6
287.05618	38.8
288.05969	1.6
348.57483	0.6
421.11826	0.6
431.09842	0.7
449.10904	100.0
450.11432	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	449.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.4
58.00459	0.3
59.00965	0.4
59.01241	4.8
63.02255	0.9
65.00181	3.0
67.01736	0.5
68.12897	0.6
68.13221	0.4
69.03320	0.2
71.01238	2.4
72.99170	0.3
73.02804	0.5
81.03311	4.6
83.01242	5.5
85.02822	0.8
87.00764	0.3
89.02293	2.0
93.03320	4.8
95.01230	0.4
95.04894	0.4
97.02814	0.9
99.04379	0.3
101.02290	1.8
103.01781	0.2
107.01250	5.9
107.01981	0.3
107.04853	0.4
108.02065	0.2
109.02810	1.8
111.00722	0.4
113.02324	1.2
115.03860	0.6
119.03354	1.0
119.04893	0.7
121.02850	1.2
122.03593	0.5
123.00681	0.3
123.04418	1.6
124.01546	2.3
125.02315	43.7
125.06019	0.6
126.02648	0.4
128.03392	0.3
130.04121	0.5
131.01270	0.8
131.04919	1.1
133.02823	2.1
134.03682	0.2
135.04401	0.4
137.02310	1.7
139.03879	2.1
145.06482	1.0
148.01541	0.3
149.02339	1.9
149.05971	0.3
150.03152	0.3
151.00258	19.9
152.01044	4.8
153.01819	5.7
155.04816	0.3
156.05693	0.6
157.06511	1.2
158.03680	1.3
159.04422	1.0
161.04408	0.4
165.01831	1.8
166.02634	0.3
167.03387	1.6
169.01338	1.6
171.04491	0.5
172.05225	4.7
173.05989	9.8
175.00284	2.5
175.03934	2.3
176.01060	0.5
177.01814	0.6
177.05487	4.2
178.99776	16.1
179.03371	0.6
180.00337	0.5
181.01329	2.1
187.07611	1.2
194.02228	0.3
195.02867	0.5
197.05989	0.8
199.03922	0.7
199.07538	1.6
200.04683	1.3
201.05510	3.2
203.03401	0.6
205.01448	0.3
213.05478	0.5
214.06361	0.6
215.07089	14.0
217.05003	0.3
219.06564	0.8
225.05696	0.3
229.05127	0.6
241.05017	1.8
243.06604	7.6
255.06534	0.8
258.05371	0.4
259.06122	100.0
259.17175	1.0
260.06454	2.6
265.04947	0.6
267.06540	0.3
269.04550	1.3
271.06079	1.2
273.07651	1.9
279.34381	0.2
283.06137	17.7
284.06467	0.6
287.05624	62.7
288.05942	1.3
301.03867	0.5
301.07202	8.2
301.10611	0.5
311.05695	1.4
313.07281	2.2
329.06644	0.4
331.08325	0.3
341.05365	0.6
342.05981	0.3
343.06769	1.1
361.09229	0.9
389.17880	0.3
403.10413	0.7
407.92361	0.3
421.11429	16.3
422.11917	0.7
431.19144	0.7
449.10938	6.9
449.20245	4.4
450.11142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1094
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
50.70609	0.4
50.72918	1.2
50.73117	0.4
54.28484	0.6
57.03311	0.6
59.01246	19.5
61.98689	2.2
63.02288	0.5
65.00190	6.3
66.40178	0.6
71.00925	0.4
71.01253	2.9
71.01582	0.5
72.73487	0.5
72.99152	0.5
73.02813	1.4
75.00740	1.5
77.80440	0.7
81.03363	0.5
83.00822	0.7
83.01237	3.9
85.02792	1.5
85.08858	0.5
87.00732	0.8
89.02322	2.7
89.02767	0.5
91.72768	0.5
93.03357	0.6
97.28635	0.4
98.71926	0.5
99.04372	0.7
101.02319	4.1
106.36780	0.5
107.01252	13.5
107.04877	0.6
109.02794	2.7
109.30121	0.4
111.47451	0.4
113.02324	1.6
116.59411	0.4
119.03309	0.5
121.02871	0.9
125.02312	3.7
127.16647	0.5
131.01253	1.5
134.03622	1.6
135.04399	74.6
137.02357	0.6
149.02371	0.7
151.00262	88.0
161.02327	0.7
161.04480	1.4
165.01816	1.2
169.01355	1.3
175.00301	6.0
191.58192	0.5
193.01299	1.4
238.13847	0.5
246.46536	0.6
253.04735	0.7
269.04623	0.9
275.09296	0.6
285.04022	0.8
286.04306	0.6
287.05637	100.0
288.06046	1.5
311.05707	0.6
313.05688	1.0
389.21899	3.9
393.23206	0.5
399.75406	0.6
410.02805	0.6
449.10623	3.4
449.24008	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57420	0.8
53.57658	0.3
57.03313	4.1
57.38438	0.2
59.01244	7.2
60.75405	0.3
63.02251	1.9
64.21999	0.3
65.00188	2.7
71.01239	2.3
72.99175	0.9
73.02798	0.5
81.03308	1.3
82.99200	0.3
83.01233	4.8
83.67902	0.7
83.68369	0.5
83.85204	0.3
85.02799	0.8
88.64735	0.3
89.02291	1.3
93.03307	2.2
95.01248	2.7
96.02048	0.8
99.04359	0.8
101.02310	1.5
107.01249	3.9
108.02055	0.4
109.02808	1.0
111.00735	1.2
113.02309	1.3
119.03358	0.9
121.02808	0.8
123.00781	1.8
123.04358	0.4
124.01532	8.6
125.02313	51.7
129.35626	0.3
130.04140	0.5
131.03317	0.3
131.04903	1.3
133.02824	1.7
134.03609	1.4
135.00758	0.3
135.04379	1.1
137.02295	1.5
139.00247	1.0
140.01038	0.5
143.04852	0.4
150.03090	0.3
151.00258	9.1
152.01042	16.6
153.01840	2.0
156.05692	0.9
157.06483	1.3
158.03601	0.7
159.04414	1.0
161.04398	0.4
165.01831	5.4
169.01381	0.8
172.05193	1.2
173.05981	4.4
175.03928	0.6
175.07578	0.4
176.01115	0.4
176.04559	0.4
177.05469	4.3
178.99756	4.7
179.05524	0.3
180.00548	2.4
181.06442	0.3
183.04515	0.3
187.07573	0.4
197.06075	0.5
199.03935	0.6
199.07571	2.6
200.04643	0.8
201.05498	6.0
203.03392	1.2
213.05513	1.0
214.06259	0.4
215.07076	4.9
219.06586	1.0
222.30463	0.6
224.01636	0.3
225.05589	0.8
240.04326	0.9
241.05077	2.0
242.05884	0.4
243.06621	8.5
244.07040	0.3
259.06119	52.4
260.06433	1.6
263.12918	0.4
267.88699	0.3
268.03851	0.7
269.04572	3.9
286.92630	0.5
287.05624	36.9
288.05838	0.9
307.07803	0.4
363.16739	0.5
389.21948	2.6
405.17606	3.7
431.10077	0.7
448.85022	0.8
449.10910	100.0
450.11292	4.0
460.96478	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57393	1.0
53.88198	1.2
55.57860	1.0
59.01243	54.8
59.02439	1.6
60.01593	1.2
61.98690	3.6
71.01238	3.4
72.35915	1.1
72.99170	8.2
73.02812	1.7
81.52667	1.2
83.04884	1.4
89.02351	2.0
101.02284	2.7
113.02277	1.8
125.02333	1.8
133.06439	8.3
141.40373	1.4
143.05008	1.5
151.11179	1.9
155.87691	1.4
159.04352	2.8
159.08078	2.2
161.04536	1.5
161.05942	2.3
165.12766	1.9
169.06485	2.6
177.05377	1.5
185.06024	3.3
187.07571	11.7
190.91243	2.0
198.06903	2.0
211.77448	1.5
213.05531	11.6
214.06308	33.1
214.08389	1.7
215.07005	2.2
215.14421	6.1
217.15938	31.8
218.16365	2.0
227.14461	9.6
229.15942	4.7
243.13826	8.3
245.15462	30.2
255.14024	5.8
255.23358	2.7
257.15494	2.9
261.15057	6.5
271.13412	100.0
272.13730	5.6
273.14923	18.8
274.15149	1.5
280.92783	2.1
289.14481	15.7
299.12866	7.3
301.14551	8.7
301.20227	1.6
303.69992	1.6
315.12479	2.8
317.13956	6.1
332.61545	1.6
333.13464	48.3
334.13983	2.8
345.13345	3.4
351.14539	5.7
361.12918	16.6
361.20602	2.1
382.32565	1.7
389.12457	5.6
389.21915	4.0
413.18088	5.3
449.22079	1.8
449.27774	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	449.1605
Annotation	Artonin T
Peak:m/z	Relative Intensity
51.54514	0.5
51.61624	0.4
59.01237	1.2
63.00647	0.9
63.00919	0.5
66.76313	0.4
69.65849	0.4
72.64006	0.4
73.73014	0.5
77.94849	0.4
93.03275	0.5
97.06443	1.1
107.04881	1.2
119.04871	1.0
126.83961	0.5
131.04001	0.7
131.04904	8.1
132.05682	2.8
133.06467	74.8
134.06752	1.2
135.04362	1.5
143.04898	1.4
144.05684	1.5
146.03586	0.6
159.04401	10.5
161.00160	1.2
161.05975	100.0
161.11116	1.4
162.06345	2.1
166.02647	1.2
167.03362	1.0
172.05234	0.8
176.04716	0.9
177.05479	4.5
179.06990	0.9
187.03957	3.7
189.05531	1.2
198.91119	0.5
199.11145	1.8
200.04709	1.0
201.09053	0.6
204.04205	1.2
205.05003	46.4
206.05322	1.2
213.05576	0.7
214.06284	1.5
215.10706	1.3
217.12286	15.7
217.15746	1.1
228.07898	1.8
243.10243	19.5
244.10544	0.8
245.11830	0.7
245.15463	0.7
250.52036	0.5
271.13364	3.6
289.14505	0.7
333.13281	1.8
361.12823	0.8
361.17892	1.8
405.17096	3.3
449.16031	47.8
450.16373	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	449.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30976	1.0
59.01256	2.7
60.11611	1.2
61.98704	1.5
63.65919	0.8
98.00372	0.9
109.02867	1.7
121.06500	2.2
122.03649	4.0
130.04102	6.0
131.04895	55.1
133.06459	9.5
135.04425	2.1
143.04913	11.2
144.05766	1.3
145.02902	1.1
146.03677	1.6
147.04448	1.8
148.05171	4.4
156.90068	0.8
158.03677	2.7
158.98718	1.1
159.04407	100.0
160.05190	16.9
161.05981	15.4
167.41228	1.0
173.02356	16.3
173.05986	1.4
175.03978	3.4
177.05521	1.2
187.03928	80.4
188.04697	48.0
188.06374	1.9
189.05487	31.1
190.41977	0.9
192.04285	4.0
203.10741	6.9
203.46025	0.9
214.06302	1.6
216.11629	1.4
217.03133	1.0
217.12286	82.7
217.20572	1.2
218.12747	2.4
235.32593	0.9
245.15593	2.8
253.21872	1.3
261.09140	1.6
271.13452	5.6
273.15152	1.0
275.10739	1.2
277.12268	5.2
279.10309	5.4
289.14703	1.6
305.08215	2.4
321.11203	4.2
333.13678	2.7
343.16986	1.0
346.15833	2.4
361.18054	15.3
377.17654	5.6
387.16043	1.4
405.17090	78.6
406.17688	2.6
431.15265	2.7
449.16086	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	449.1607
Annotation	Artonin T
Peak:m/z	Relative Intensity
54.97908	0.2
56.69956	0.2
57.11199	0.2
59.01243	0.5
59.02811	0.2
63.00644	0.4
64.73844	0.2
80.71786	0.2
82.83878	0.2
97.06443	0.6
105.06929	0.4
107.04893	0.8
109.02894	0.3
115.05399	0.3
119.04911	0.7
130.04144	0.5
131.04907	10.5
132.05693	2.2
133.02533	0.9
133.06470	73.1
133.10960	0.6
134.06783	1.2
135.04376	1.6
135.08025	0.4
143.04947	0.8
144.05676	1.5
146.03734	0.3
147.04353	0.2
157.06479	0.3
158.03734	0.2
159.04414	9.9
160.05141	0.7
161.00703	1.2
161.05978	100.0
161.11957	0.8
162.06328	1.8
167.80492	0.2
171.04274	0.3
172.05212	0.7
173.09651	0.2
175.03873	0.3
176.04692	0.7
177.05487	5.0
179.07053	0.6
183.08051	0.4
184.08835	0.6
185.05968	0.4
187.03918	2.8
188.04727	0.5
189.05481	2.0
193.09904	0.3
199.07578	0.5
199.11172	1.9
200.04651	1.0
201.05467	0.4
203.03455	3.5
204.04192	1.5
205.05005	34.5
206.05357	0.9
213.05406	0.3
214.06271	0.5
215.10754	1.8
217.12299	12.3
217.15723	0.5
218.12524	0.3
227.07126	0.4
228.07848	1.3
241.18146	0.2
243.10258	19.0
244.10765	0.8
245.15401	0.5
261.11292	0.5
271.13440	1.2
273.14890	0.3
275.10706	0.4
277.08728	0.3
277.12573	0.3
293.11938	0.5
321.11264	0.7
333.13412	0.5
361.18231	1.8
367.19788	0.3
387.16269	0.4
405.17041	2.7
449.16083	57.3
450.16452	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	449.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.0
56.77818	0.6
57.03281	2.5
59.00043	1.3
59.01242	71.7
59.01524	2.5
59.02507	0.9
61.98661	0.8
71.01237	29.2
72.98804	0.7
72.99165	9.0
73.02802	7.0
75.00709	0.8
78.87579	0.5
81.03288	0.9
83.01243	6.4
85.02805	13.5
85.99913	1.6
87.00705	2.4
89.02299	22.1
95.01202	2.2
95.04839	0.7
95.82539	1.0
95.83057	1.0
96.95844	0.7
97.02804	1.0
99.00703	2.3
101.02299	31.9
111.00719	1.4
113.02304	15.0
117.03311	0.8
119.02618	0.9
119.03371	12.8
125.02302	4.1
129.01781	1.0
131.03352	1.7
133.97890	0.6
143.03400	0.8
145.21968	0.7
149.04352	0.8
151.00201	1.5
154.33034	1.0
161.04492	3.7
165.09183	0.6
165.63214	1.4
167.03406	3.5
174.01567	7.2
175.02376	2.6
176.00117	0.7
179.05481	1.9
183.10155	2.6
201.11189	1.6
259.06049	2.5
269.04651	2.0
275.15073	0.9
287.05634	2.0
317.16034	2.1
331.14099	0.7
345.15567	23.7
363.16626	86.5
364.16949	3.5
389.21848	0.8
405.17682	100.0
406.18005	5.2
449.10809	2.1
449.16296	1.4
449.20950	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	449.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08044	1.1
58.00449	1.8
58.99989	1.5
59.01242	96.7
69.20226	1.1
71.01239	58.3
72.99166	3.8
73.02804	3.5
76.31367	1.5
83.01241	2.7
85.02819	7.2
87.00747	3.0
88.98662	3.6
89.02296	100.0
91.00220	3.5
93.69627	1.5
95.01242	3.9
96.95863	11.7
98.95427	2.4
99.05283	1.3
101.02299	31.3
113.02296	26.8
116.62577	1.6
119.03370	40.8
125.02328	10.1
130.10690	1.4
131.03343	1.7
137.02388	1.8
138.28769	1.7
138.87869	1.4
139.03911	2.4
143.03343	6.9
144.53056	1.6
146.59975	1.4
147.08029	9.0
148.78384	1.4
149.04463	3.1
151.03885	1.4
153.01895	1.4
153.05475	9.0
161.04456	10.6
161.05748	2.2
165.05627	1.8
167.03377	2.7
177.01881	4.5
179.03958	2.0
179.05528	40.4
179.06796	1.7
190.37660	1.6
191.07062	16.4
195.06693	1.6
197.04498	1.8
204.99849	3.2
214.06412	1.9
217.15971	1.7
241.00215	6.9
245.15681	1.9
256.50842	1.6
271.13519	4.1
271.18082	2.2
333.93643	1.6
364.44690	1.8
371.13474	38.9
389.14584	6.5
413.11832	1.6
449.03928	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	449.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03982	0.5
57.03325	1.6
58.00463	2.7
59.00007	1.2
59.01243	100.0
59.02362	1.6
60.01587	0.7
64.90681	0.6
69.03326	2.5
71.01239	36.7
71.04868	1.4
72.99167	2.1
73.02812	2.9
74.65207	0.6
75.00744	1.0
81.03310	7.1
83.01247	3.2
83.04872	1.1
84.02007	1.2
85.02808	9.0
87.00754	1.8
88.99984	0.8
89.02296	52.3
93.97321	0.5
95.01273	2.5
95.04935	0.7
96.95891	1.7
97.02824	1.7
97.06455	1.0
99.04382	14.1
101.02304	31.0
107.08524	8.7
113.02309	16.6
115.03860	6.8
119.03368	25.6
125.02329	2.9
131.03410	2.8
132.21562	0.6
143.03375	7.8
145.10170	1.3
145.18280	2.2
149.04451	3.3
151.00259	1.3
161.04449	3.8
163.11195	1.4
171.11752	2.0
173.06058	0.7
179.05537	10.6
189.12730	2.0
196.31047	0.7
207.10249	1.0
207.13864	1.4
213.34657	0.7
233.11859	2.2
251.13005	1.3
259.06042	4.1
269.13922	6.2
287.05640	2.6
331.14108	2.7
374.89246	0.8
398.40152	0.8
431.19226	2.3
449.20306	88.4
450.20560	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	449.2313
Annotation	Salaquinone A
Peak:m/z	Relative Intensity
54.00697	0.1
55.86755	0.2
59.01236	0.8
59.17154	0.5
59.27679	0.2
61.00827	0.2
61.98695	0.5
67.20820	0.2
69.88748	0.2
78.37386	0.2
78.93762	0.5
78.95762	46.4
78.97514	0.7
93.03265	0.2
94.46315	0.2
96.96822	5.3
107.75403	0.2
109.18195	0.2
117.03307	0.4
119.04873	0.4
121.02795	0.6
133.02840	0.3
135.04364	0.2
145.02831	0.9
150.97923	1.7
152.94034	0.8
152.99475	100.0
153.04411	1.1
153.99814	0.5
163.03937	0.3
171.00546	4.2
195.13861	0.3
214.06255	0.6
217.16032	0.4
219.14023	0.2
245.15460	0.4
253.15370	0.2
271.13412	0.9
277.21826	0.2
295.22842	0.7
326.20197	0.2
333.13617	0.3
361.12808	0.2
381.77185	0.2
413.86130	0.2
431.24097	1.0
436.16489	0.2
449.23093	15.9
450.23550	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2311
Annotation	Salaquinone A
Peak:m/z	Relative Intensity
58.95584	0.2
59.01243	2.2
59.17136	0.4
61.00846	0.5
61.98691	0.6
62.96257	0.2
71.33280	0.2
72.99155	0.3
75.00759	0.3
78.93898	1.0
78.95759	65.6
83.04879	0.3
88.86223	0.2
92.36452	0.2
93.03310	0.4
93.41177	0.2
96.96822	6.2
99.70309	0.3
102.49145	0.3
108.34163	0.2
115.61286	0.2
117.03330	0.5
119.04886	1.1
121.02829	1.0
123.04377	0.2
133.02853	0.3
133.06461	0.4
133.97043	0.2
135.04370	0.5
136.01694	0.2
145.02834	2.1
150.97910	2.3
152.94589	1.3
152.99472	100.0
153.99789	1.1
156.66220	0.2
161.02306	0.8
163.03912	1.2
171.00545	2.7
181.04958	0.5
187.07507	0.2
195.13783	0.6
213.05545	0.3
214.06334	1.0
217.16025	0.6
223.75050	0.2
226.11411	0.3
230.87172	0.2
245.15456	0.8
248.91051	0.3
255.23233	0.4
264.61490	0.3
265.47498	0.3
271.13437	2.0
273.14987	0.5
277.21857	0.5
289.14493	0.3
295.22818	1.0
301.14423	0.3
333.13431	1.1
361.13052	0.3
413.85645	0.4
416.37244	0.3
431.24533	1.8
449.23074	28.3
450.23471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38816	0.2
54.37815	0.2
54.67652	0.2
57.01262	0.2
57.03311	1.2
59.00059	1.9
59.01242	100.0
59.02567	1.3
60.01574	0.4
62.28315	0.2
65.00198	0.7
65.90361	0.2
67.54577	0.2
69.03336	0.3
69.60336	0.2
71.01239	6.8
73.02804	4.0
77.58679	0.2
81.03346	0.4
83.01237	2.9
85.02817	2.0
87.00745	0.6
88.72242	0.2
89.02299	5.0
93.03313	1.3
95.01264	0.6
97.02811	0.5
99.00769	0.6
101.02298	7.6
101.02954	0.4
107.01282	1.0
108.16257	0.2
109.02830	0.5
111.00790	0.3
113.02313	3.6
117.03346	0.5
119.03373	2.3
121.02822	2.3
122.03629	0.2
123.04404	0.4
125.02312	14.9
126.02679	0.4
129.01775	0.2
131.03387	0.6
133.02829	0.2
135.04352	0.3
137.02330	0.7
139.03896	0.4
140.42621	0.2
143.03362	0.8
149.02332	1.7
149.04413	0.5
151.00258	4.7
152.01083	1.1
153.01826	1.6
158.03673	0.2
159.02959	0.5
159.04329	0.2
161.04454	4.8
163.07610	0.2
165.01823	5.7
169.06439	0.3
173.06003	0.8
176.01134	0.3
177.05501	0.5
178.99760	2.7
179.03389	0.9
179.05598	1.1
180.00328	0.2
187.07486	0.3
197.06105	0.5
199.04027	0.3
199.07567	0.3
201.05583	0.4
208.76884	0.3
213.05527	0.5
215.07071	1.0
225.05571	0.7
241.05110	1.0
243.06468	1.0
253.07465	0.2
259.06128	14.2
260.06476	0.6
269.04559	14.7
270.04974	0.7
283.06061	0.3
287.05612	7.9
288.05875	0.3
311.05612	0.4
342.05920	0.6
389.21884	5.1
407.22839	1.9
421.11554	0.8
431.09933	0.8
449.10901	8.9
449.20151	0.7
449.24606	0.7
450.11304	0.7
450.25183	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	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78670	0.5
54.27160	0.6
55.01751	0.6
57.03320	1.7
58.00460	1.8
58.99914	1.4
59.00198	1.2
59.01242	100.0
59.02444	1.8
60.01589	0.6
61.98703	0.7
69.03336	0.7
69.93336	0.7
71.01240	63.7
71.02833	1.2
71.04883	7.2
72.99166	3.2
73.02802	6.9
77.36060	0.6
81.03312	5.8
83.01254	4.1
83.04902	0.8
85.02808	17.1
85.03302	0.9
87.00737	2.5
89.02298	67.2
89.04494	0.9
91.73349	1.2
95.01233	4.5
97.02824	2.4
99.00729	3.0
99.04362	3.2
101.02303	42.2
113.02307	26.4
113.03107	1.1
114.02705	0.6
115.03873	50.9
115.07167	0.8
119.03367	27.5
125.02328	1.7
126.03094	1.4
131.03387	3.3
137.09604	1.5
139.11174	2.4
141.27480	0.6
141.33023	0.6
143.03380	4.2
149.04492	2.1
159.02931	1.6
161.04443	11.2
163.11215	1.0
175.14903	2.4
179.05513	7.4
181.12277	1.7
191.14302	1.8
193.15903	20.3
219.13936	2.0
228.24556	0.7
237.14928	21.8
245.15372	0.8
255.16000	14.3
255.18466	1.0
271.13425	3.4
272.57034	0.8
289.14557	0.7
297.17032	3.6
333.13666	1.3
361.12994	0.9
417.21341	24.3
449.24362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2757
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
54.60491	0.2
55.01743	0.7
57.03297	0.8
58.00466	0.3
59.00188	0.3
59.01242	13.3
59.02427	0.2
59.43798	0.2
61.98677	1.0
69.03288	0.3
71.01239	7.1
72.99152	0.8
73.02807	2.6
75.75693	0.2
83.01241	2.1
84.49388	0.3
85.02805	3.8
85.99953	0.3
87.00716	1.3
88.69057	0.5
88.69518	0.3
89.02298	1.7
95.01245	0.6
97.02775	0.5
99.00744	0.8
99.07999	0.3
101.02304	5.3
111.00716	0.8
112.13725	0.2
113.02316	2.3
115.03864	0.2
119.03371	0.7
125.02328	0.7
141.12746	0.5
143.03458	0.3
146.81752	0.3
155.14261	0.3
177.05571	0.2
187.07623	0.4
205.32201	0.2
213.05545	0.4
214.06273	1.5
217.16020	1.1
227.14378	0.3
245.15457	1.4
261.14935	0.4
269.21100	1.3
271.13400	3.6
272.13727	0.4
273.14929	0.6
285.20819	0.5
287.22290	22.6
288.22620	1.0
289.14542	0.7
301.23831	0.4
329.23340	0.5
333.13440	1.8
348.36172	0.3
351.14377	0.3
361.13000	0.6
413.25540	0.3
431.26483	3.7
449.27588	100.0
450.27975	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	449.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.7
57.03313	0.6
58.00453	0.2
58.99994	0.3
59.01244	19.7
61.98689	1.7
69.03307	0.6
71.00874	0.6
71.01243	8.2
71.01641	0.4
72.99168	1.7
73.02809	3.8
75.60915	0.3
81.03304	0.2
83.01232	2.5
85.02811	3.3
87.00746	1.6
88.69059	0.5
89.02296	2.6
95.01264	0.5
97.02822	0.4
99.00736	0.9
99.08022	0.6
101.02309	6.0
111.00732	0.9
112.01566	0.3
113.02303	2.9
119.03365	0.9
124.01527	0.5
125.02320	1.0
127.11196	0.3
133.06461	0.7
141.12790	0.3
143.03285	0.3
143.10654	0.4
145.16910	0.5
161.04465	0.5
161.05945	0.3
169.06529	0.3
183.13821	0.6
187.07574	0.9
206.34238	0.3
213.05614	1.3
214.06342	3.0
217.15958	3.1
227.14444	0.9
241.21751	0.6
243.13898	0.6
245.15430	2.7
255.13919	0.4
269.21222	1.8
271.13434	8.9
272.13834	0.5
273.15024	1.9
287.22296	23.5
288.22601	0.9
289.14471	2.0
299.12860	0.5
301.14517	0.6
301.23892	0.7
311.22351	0.7
317.13950	0.6
329.23477	0.4
333.13419	3.9
334.13712	0.5
361.12994	1.9
363.20337	1.1
389.12418	0.4
389.21793	0.5
405.21332	1.7
411.16772	0.4
431.26410	4.0
449.27600	100.0
450.27924	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	449.291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70473	0.3
55.79133	1.1
55.79395	0.6
58.97550	0.3
59.01243	2.5
60.11398	0.2
61.16272	0.3
61.98692	0.3
63.43773	0.3
71.01251	0.3
74.26588	0.3
77.03808	0.5
78.95763	0.6
83.94954	0.3
89.03841	0.5
93.03301	0.7
95.04906	1.5
105.03323	7.9
110.37328	0.3
117.03329	3.0
117.04074	0.4
119.04893	6.9
121.02811	1.3
121.16088	0.3
123.04379	0.9
128.84955	0.3
130.11667	0.3
132.02039	1.7
133.02831	66.9
133.06752	0.7
134.03630	7.2
135.04407	4.0
136.01534	0.8
137.02336	2.7
145.02837	16.6
147.04427	1.6
148.05232	0.4
149.02312	0.5
149.05957	0.9
151.03906	0.8
152.99498	0.9
153.05455	0.4
160.01561	6.4
161.02347	4.4
161.05984	0.4
162.03203	0.3
163.03903	5.3
175.03937	5.8
177.01848	17.8
178.02626	5.0
179.03436	1.7
193.04987	3.1
214.06227	0.4
217.15970	0.7
219.13867	0.4
233.57260	0.3
243.17534	0.7
245.15459	0.5
249.18643	1.0
271.13455	1.3
285.20789	1.5
295.96082	0.3
332.70157	0.3
333.13336	0.6
341.83136	0.4
343.17145	0.3
413.23361	6.4
414.23767	0.4
431.24387	17.7
432.24933	0.5
434.26746	29.0
435.27045	0.6
449.29172	100.0
450.29849	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79129	0.6
55.79422	0.3
56.47319	0.3
59.01243	1.2
64.75443	0.2
74.30987	0.2
75.18338	0.2
77.03802	0.8
78.95749	1.0
85.02779	0.3
87.00745	0.3
89.03803	0.6
95.04882	1.9
105.03319	9.9
107.04945	0.2
107.40424	0.2
109.02743	0.3
111.00764	0.2
115.00220	0.3
117.03318	1.3
119.04891	2.7
121.02818	0.8
123.04391	1.6
132.02046	2.1
133.02824	81.1
133.07045	0.9
133.77449	0.2
134.03635	7.5
135.04425	2.4
136.01544	0.8
137.02306	2.8
139.03882	0.5
141.19162	0.2
145.02838	4.3
146.03178	0.2
147.04384	1.5
148.05177	0.2
149.02364	0.3
149.05977	1.8
150.03131	0.6
151.03899	1.0
152.99475	1.2
153.05458	0.4
160.01552	8.6
161.02328	2.7
162.03076	0.4
163.03902	1.3
175.02388	0.2
175.03894	6.1
177.01842	20.5
178.02621	5.7
179.03352	1.2
192.04166	0.7
193.04982	3.9
193.06642	0.4
214.06331	0.2
217.15968	0.5
217.64278	0.2
245.15492	0.2
260.85709	0.2
261.14841	0.2
271.13345	1.0
285.20831	0.4
289.14398	0.2
291.19589	0.6
323.01141	0.2
333.13501	0.4
403.24774	0.2
415.24567	0.6
431.24417	7.2
432.24860	0.4
434.26736	32.9
435.27106	1.6
449.29111	100.0
450.29480	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	449.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98563	0.4
53.06658	0.3
54.35101	0.4
59.01240	0.5
61.50816	0.4
65.20564	0.4
73.18626	0.4
99.92433	0.7
161.04486	0.5
187.49907	0.6
193.07141	1.7
255.23294	100.0
256.23636	4.1
277.98730	0.6
414.14902	3.1
449.33051	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95763	4.9
87.87750	0.1
90.83313	0.1
91.73250	0.1
96.95914	0.1
101.45700	0.1
122.00008	0.3
136.52409	0.1
139.30977	0.1
140.01068	1.8
152.99457	0.5
167.03380	0.3
183.01674	0.1
196.03734	1.1
214.04816	2.4
253.21715	100.0
253.32007	0.9
254.22054	3.7
254.24709	0.2
272.13568	0.1
450.26263	8.1
451.26764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45610	0.3
59.01234	0.9
61.98695	0.9
63.65471	0.4
69.55401	0.3
69.61955	0.3
78.95759	15.8
82.68974	0.7
84.00821	0.4
93.03302	1.0
117.03339	3.3
118.04156	0.7
119.04882	5.2
120.05241	0.4
121.02824	1.2
121.99981	0.5
123.04355	0.4
127.69218	0.4
133.02803	1.3
134.03572	0.5
135.04378	1.7
136.04721	1.2
137.02271	0.7
140.01064	5.1
145.02831	12.5
146.03168	1.2
152.99446	2.9
155.03358	0.8
161.02353	1.2
162.02774	0.8
163.03935	2.7
174.99089	0.6
179.03387	1.0
180.03697	0.6
196.03729	9.4
214.04845	1.9
253.21721	100.0
254.22032	4.9
292.59476	0.4
391.18158	3.4
415.24930	19.5
431.24304	0.7
432.24689	9.5
450.26263	27.4
451.26529	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87285	1.1
55.98275	1.2
59.01241	7.6
59.09840	1.0
63.01964	1.0
71.01242	12.9
71.04875	20.1
72.00774	2.8
83.01258	2.2
83.03645	1.2
87.00729	25.1
88.03899	14.4
94.06411	1.1
98.02323	2.6
98.06013	1.4
100.03894	1.4
111.00080	1.1
111.00741	6.9
114.62659	1.2
117.03313	10.2
118.04130	1.7
119.04897	11.9
119.49158	1.2
121.02839	3.6
126.09106	12.1
128.07045	89.3
129.01830	2.1
133.02847	1.8
135.04419	1.8
144.02917	5.7
145.02832	24.9
146.08112	12.4
162.03052	2.1
163.03856	7.2
172.06035	2.2
172.41324	1.4
176.19437	1.5
179.03372	1.5
190.07079	1.8
200.09215	100.0
201.09587	2.4
218.10289	12.5
249.18588	93.7
253.21797	1.6
260.98575	1.6
277.21710	21.6
280.98260	1.6
389.23474	2.0
391.06357	1.8
413.23544	2.5
414.23746	5.5
415.24933	64.2
450.07541	4.4
450.28687	53.0
451.07977	1.7
451.28961	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01576	1.2
57.03316	16.2
57.38675	1.3
59.01241	48.3
61.98713	1.4
65.03815	7.0
65.33492	1.4
67.63399	1.4
68.54965	1.6
71.01236	8.7
71.59327	1.4
81.03299	1.6
89.02286	1.9
93.03309	5.2
95.04874	6.1
96.95864	3.0
99.04379	17.9
101.02303	6.3
105.03305	7.1
108.02026	5.1
109.02813	48.5
110.03190	1.5
115.05389	2.4
119.04923	4.6
121.02836	7.5
123.00779	2.6
124.01519	1.9
125.02316	10.0
131.07036	4.9
133.02846	3.8
135.04393	3.3
139.03839	1.8
143.04868	2.9
145.02817	4.5
147.04405	6.6
149.02328	20.1
150.03101	2.7
151.03896	6.2
153.01875	4.4
153.06989	2.4
156.05656	1.6
157.02858	1.8
158.03609	7.3
159.04376	5.1
161.02341	11.8
161.67662	1.5
163.00323	2.7
165.05473	6.4
169.06528	2.7
169.76334	1.7
171.04373	2.1
171.08073	1.6
173.02385	5.1
173.04494	4.0
173.05962	1.8
174.03114	16.8
175.03902	33.9
177.01880	5.5
177.05481	14.7
181.06487	4.6
183.04422	5.9
183.08081	5.1
184.05229	5.8
185.02351	5.1
185.05995	3.6
186.03148	8.7
187.03960	8.4
189.05476	2.5
195.04419	2.2
197.06012	7.0
198.03123	2.0
199.03943	6.2
199.07570	42.1
201.01828	3.8
201.05516	3.3
202.02649	22.2
203.03391	16.3
205.75337	1.7
207.04556	3.3
208.05324	1.6
209.06084	9.1
209.07889	2.0
210.03079	2.1
211.03993	5.2
212.04762	13.1
213.01862	2.6
213.05560	11.0
215.03473	4.7
217.01463	2.5
222.13341	1.7
225.05573	11.6
226.05992	2.3
227.03656	20.4
227.07089	100.0
228.07469	2.9
229.01376	35.5
230.02156	73.2
231.02954	32.3
231.05260	2.5
235.03955	5.9
240.04184	2.0
241.05013	3.7
242.02281	2.6
243.02878	8.1
243.06595	7.4
251.03398	2.8
253.05087	19.8
255.03055	3.7
256.03787	1.7
269.04459	3.1
271.06192	11.7
275.11325	2.7
287.01999	3.0
297.04001	3.1
335.09219	2.0
345.07639	3.5
363.08765	28.5
375.08871	1.9
379.08212	27.2
389.06744	4.5
403.08105	2.3
407.07736	29.1
434.22437	1.9
451.02579	2.7
451.10959	8.3
451.21524	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01576	1.2
57.03316	16.2
57.38675	1.3
59.01241	48.3
61.98713	1.4
65.03815	7.0
65.33492	1.4
67.63399	1.4
68.54965	1.6
71.01236	8.7
71.59327	1.4
81.03299	1.6
89.02286	1.9
93.03309	5.2
95.04874	6.1
96.95864	3.0
99.04379	17.9
101.02303	6.3
105.03305	7.1
108.02026	5.1
109.02813	48.5
110.03190	1.5
115.05389	2.4
119.04923	4.6
121.02836	7.5
123.00779	2.6
124.01519	1.9
125.02316	10.0
131.07036	4.9
133.02846	3.8
135.04393	3.3
139.03839	1.8
143.04868	2.9
145.02817	4.5
147.04405	6.6
149.02328	20.1
150.03101	2.7
151.03896	6.2
153.01875	4.4
153.06989	2.4
156.05656	1.6
157.02858	1.8
158.03609	7.3
159.04376	5.1
161.02341	11.8
161.67662	1.5
163.00323	2.7
165.05473	6.4
169.06528	2.7
169.76334	1.7
171.04373	2.1
171.08073	1.6
173.02385	5.1
173.04494	4.0
173.05962	1.8
174.03114	16.8
175.03902	33.9
177.01880	5.5
177.05481	14.7
181.06487	4.6
183.04422	5.9
183.08081	5.1
184.05229	5.8
185.02351	5.1
185.05995	3.6
186.03148	8.7
187.03960	8.4
189.05476	2.5
195.04419	2.2
197.06012	7.0
198.03123	2.0
199.03943	6.2
199.07570	42.1
201.01828	3.8
201.05516	3.3
202.02649	22.2
203.03391	16.3
205.75337	1.7
207.04556	3.3
208.05324	1.6
209.06084	9.1
209.07889	2.0
210.03079	2.1
211.03993	5.2
212.04762	13.1
213.01862	2.6
213.05560	11.0
215.03473	4.7
217.01463	2.5
222.13341	1.7
225.05573	11.6
226.05992	2.3
227.03656	20.4
227.07089	100.0
228.07469	2.9
229.01376	35.5
230.02156	73.2
231.02954	32.3
231.05260	2.5
235.03955	5.9
240.04184	2.0
241.05013	3.7
242.02281	2.6
243.02878	8.1
243.06595	7.4
251.03398	2.8
253.05087	19.8
255.03055	3.7
256.03787	1.7
269.04459	3.1
271.06192	11.7
275.11325	2.7
287.01999	3.0
297.04001	3.1
335.09219	2.0
345.07639	3.5
363.08765	28.5
375.08871	1.9
379.08212	27.2
389.06744	4.5
403.08105	2.3
407.07736	29.1
434.22437	1.9
451.02579	2.7
451.10959	8.3
451.21524	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98182	0.6
58.38950	0.5
59.01238	1.3
61.98682	1.5
69.15472	0.5
81.03304	1.5
82.41257	0.6
92.94390	0.7
108.02046	6.2
108.99919	1.6
109.02814	93.6
110.03168	1.6
116.92684	1.0
123.00742	0.8
125.02290	1.4
151.00241	5.0
152.01050	7.3
153.01825	100.0
153.07199	1.3
154.02164	3.0
191.65167	0.7
214.06355	0.8
239.03471	7.2
246.16266	0.9
266.88077	0.8
267.02939	7.5
268.03772	0.8
269.04593	2.2
273.14246	1.0
282.05338	10.5
283.05963	1.9
284.06754	1.1
297.07681	8.2
298.08383	3.8
299.09268	1.0
311.05566	1.1
375.04779	0.8
379.15335	1.5
387.05112	1.2
406.26563	0.7
433.09683	1.4
451.09735	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	451.1246
Annotation	Curculigoside B
Peak:m/z	Relative Intensity
57.03325	1.2
59.00971	1.1
59.01245	14.9
59.30743	0.6
60.35043	0.8
60.86674	0.6
61.98682	1.0
66.90650	0.8
70.68223	0.8
71.01237	5.2
72.94753	0.7
73.02785	1.5
83.01221	1.4
85.02789	1.5
85.47914	0.8
87.00735	22.2
89.02320	4.2
89.02767	0.7
90.67719	0.7
91.01759	1.5
93.03320	1.7
96.95870	2.4
99.00748	1.9
101.02318	4.6
105.01772	0.8
108.02026	20.4
108.04472	1.0
109.02815	3.9
113.02309	2.6
115.03876	0.9
119.03378	2.0
119.04881	0.9
121.02811	6.6
122.03602	6.6
123.04379	18.1
125.02362	1.0
127.00224	3.1
132.10062	0.8
136.01552	1.2
137.08107	0.8
147.03139	1.2
149.02330	17.2
150.03116	60.8
150.07692	0.9
151.03828	2.8
152.01047	49.9
153.01834	5.3
161.04459	0.9
163.03989	1.1
164.04659	4.2
165.05472	79.2
167.03403	100.0
168.03711	1.1
175.02507	0.9
177.01819	1.1
179.05553	0.9
180.04236	4.9
181.04924	1.5
184.61964	0.9
186.09102	0.9
189.00372	3.5
191.05545	1.1
193.01776	1.0
195.06554	35.2
198.99174	2.0
202.98790	0.9
213.07928	2.1
218.99718	2.1
228.10336	6.9
229.09807	4.8
231.11330	1.7
233.01274	1.3
235.02887	0.9
253.09801	2.7
256.07260	5.2
271.10968	11.7
283.08237	3.5
284.92914	1.0
303.01822	2.4
315.08768	18.1
347.00815	1.2
363.06363	1.5
363.10901	27.0
389.12326	1.0
405.21484	5.4
421.11719	0.9
424.71124	0.8
451.12491	56.3
451.17276	2.2
451.22025	3.0
452.12775	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	451.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87822	0.6
57.03303	0.8
59.01242	17.5
61.98673	1.4
68.88554	0.6
71.01244	5.5
73.02793	2.8
74.02330	1.2
76.71289	0.6
77.36388	0.6
83.01225	1.5
85.02808	2.4
87.00729	19.3
89.02306	3.7
89.74035	0.6
91.01756	1.8
92.08756	0.7
92.47531	0.7
93.03320	2.0
95.01253	0.8
95.04874	0.7
96.95829	1.3
99.05515	1.2
101.02285	3.9
105.01798	0.7
106.72574	0.6
108.01328	1.3
108.02030	17.6
109.02837	3.1
111.00722	1.2
113.02298	2.2
115.03896	0.9
119.03349	1.2
119.04900	2.5
121.02793	3.0
122.03584	4.3
123.04381	14.4
125.02283	1.1
127.00256	0.9
128.03403	3.8
133.02875	0.9
136.01579	1.6
137.02289	1.0
143.04495	4.7
145.02794	1.0
149.02315	10.8
150.03113	54.9
151.00293	0.7
151.03624	2.0
152.01035	42.7
153.01849	4.7
153.09056	0.9
161.04439	1.0
163.03835	0.9
164.04646	3.5
165.05466	73.2
166.05821	1.8
167.03395	100.0
168.03723	2.8
171.10173	1.2
177.01851	0.8
180.04218	5.1
181.04929	1.4
189.00366	1.6
189.54236	0.7
193.01419	1.5
195.06554	36.5
197.08081	1.5
198.99184	1.2
210.08823	0.8
218.99762	1.5
228.10263	2.0
229.09857	2.5
233.01288	0.8
233.04881	1.2
247.02652	0.8
253.09705	1.0
254.07869	1.4
256.07489	2.6
271.11029	4.8
271.15500	0.8
272.09000	1.2
283.08344	3.1
303.01767	2.0
306.07739	4.1
315.08801	4.8
355.08279	3.7
363.10840	14.1
364.11124	1.2
385.09256	2.8
386.10117	0.8
405.21429	1.2
433.21069	3.3
451.12534	43.8
451.17383	2.1
451.22455	11.5
452.13013	3.6
475.12906	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1247
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03300	1.6
57.33149	0.9
59.01233	1.1
65.53517	0.8
71.01225	1.5
78.91081	0.8
81.03320	2.2
83.01249	3.7
85.02787	1.0
92.92410	1.0
93.03296	1.3
95.01224	1.0
95.04871	2.5
96.30189	0.9
96.95855	5.5
97.02799	5.7
101.02341	1.0
108.02028	1.1
109.02810	22.1
121.02813	3.5
123.04390	14.7
125.02319	17.1
135.04401	2.3
137.02313	13.6
138.03043	1.2
138.08562	0.8
139.03920	5.0
144.71394	0.8
145.02809	1.3
146.03636	1.3
149.02362	4.2
150.03146	1.0
151.03915	9.6
159.04431	2.5
160.05180	1.4
161.05971	6.1
162.03157	2.5
163.03981	1.3
164.01067	3.3
165.01819	3.5
167.03381	2.0
174.03073	1.0
175.03893	1.7
175.07558	2.0
177.05504	1.2
179.03481	6.8
185.06116	1.6
187.03912	5.6
188.04668	4.5
194.10658	0.9
202.06348	2.7
203.07066	14.4
205.05028	8.0
221.08192	3.0
227.07130	2.2
241.00172	6.1
245.08176	18.4
247.06213	1.4
289.07193	100.0
290.07501	2.7
311.02994	0.9
317.04700	1.0
331.08264	2.6
348.31113	1.0
407.04257	1.0
451.12509	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	451.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74072	0.5
55.59962	0.8
56.02220	0.5
59.00999	0.7
59.01239	6.1
62.42700	0.5
65.99654	1.2
65.99947	0.8
70.68685	0.5
71.00877	1.1
71.01241	17.0
73.02796	1.5
75.68421	0.6
83.01237	1.4
85.02826	1.8
88.03896	55.3
89.04182	0.7
97.77429	0.6
101.02303	6.7
113.02314	1.3
114.01833	2.2
115.00232	16.6
124.26859	0.6
130.05544	1.0
130.06503	13.2
132.02905	43.5
146.05988	2.1
149.63480	0.6
156.04448	3.8
163.19724	0.7
172.07550	1.0
173.07111	77.2
174.07428	1.1
200.07103	1.8
229.08624	1.0
243.07736	1.8
245.09373	2.2
248.28854	0.7
282.50171	1.1
292.11908	8.7
309.53000	0.7
335.12546	19.6
336.10876	14.8
407.14703	3.8
433.12616	7.3
451.13608	100.0
452.13849	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	451.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17829	1.6
57.03315	14.4
58.96278	1.4
58.97858	1.6
59.00969	3.7
59.01242	43.0
59.01517	3.7
61.98699	3.3
71.01238	35.2
72.99165	3.8
73.02805	14.0
75.00740	2.3
83.01253	3.7
85.02816	12.4
87.00720	4.0
88.48864	1.7
89.02294	28.2
91.19112	1.7
92.76639	2.1
94.95517	1.9
96.95862	2.9
99.00750	7.0
101.02303	26.2
105.57442	1.6
108.02094	1.9
109.02802	9.4
113.02324	13.6
119.03408	6.2
121.88943	2.0
125.02336	10.5
127.07532	4.4
131.03421	2.1
135.04436	2.5
137.02315	3.1
141.98151	12.9
147.87953	2.0
149.02287	3.6
149.04396	3.4
157.00487	3.4
161.02370	2.1
161.04475	8.6
165.01834	4.6
171.65469	2.4
175.03966	3.3
177.01787	2.1
191.05473	2.8
199.07623	4.3
227.07027	10.0
229.01427	3.8
230.02235	6.4
231.03009	3.7
233.06691	5.2
259.02533	5.9
271.02527	3.0
274.04816	5.8
277.10928	3.8
283.11890	14.6
285.04083	9.7
289.07333	3.4
293.08884	8.4
297.04108	5.4
307.14008	35.9
342.59769	2.5
349.15060	17.0
389.18256	4.6
407.08044	2.8
415.16125	100.0
451.07010	6.5
451.13434	53.9
452.13831	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	451.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71131	0.2
51.46702	0.2
53.10368	0.2
53.21535	0.2
54.69103	0.2
56.07957	0.2
57.43427	0.3
59.01246	1.5
63.99386	0.3
63.99877	0.2
78.95756	0.6
81.03320	0.3
83.01231	0.5
91.76641	0.2
95.01229	0.4
103.42924	0.3
107.01242	0.4
108.02015	3.6
111.00715	2.0
117.60825	0.3
123.00734	1.2
124.01550	1.8
137.02335	0.9
139.00226	0.7
142.41216	0.3
145.02725	0.3
151.00287	1.3
152.01035	8.5
167.03397	100.0
167.08963	1.0
168.03760	1.9
218.99144	0.3
239.20221	0.5
291.40762	0.3
415.24893	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66262	1.2
59.00974	1.8
59.01245	24.2
61.98685	5.7
68.50592	1.3
69.03315	2.0
71.01247	21.0
72.99158	3.0
75.00723	3.1
83.01235	5.8
85.02806	6.2
87.00735	24.7
88.03885	1.9
89.02291	6.6
96.95866	2.0
99.00711	1.9
101.02299	4.0
107.04875	6.5
111.00735	5.3
113.02311	4.8
115.00233	58.3
115.03770	1.7
119.04899	4.2
121.02821	5.5
121.06570	1.5
122.03613	5.5
123.04379	2.0
127.00246	1.4
134.03659	1.6
136.05113	3.3
139.00279	13.0
145.02805	2.6
155.60449	1.6
157.01329	10.7
175.02388	99.6
176.02773	1.9
189.12811	2.9
191.10660	5.3
203.14334	28.6
205.12280	5.1
212.53934	1.6
215.14413	3.5
216.82932	1.5
217.15887	13.7
219.13809	4.0
229.12257	2.2
229.15976	2.3
231.13841	10.0
233.15500	3.8
235.13403	5.7
243.13844	3.7
245.15445	5.5
255.13864	4.6
257.15460	4.0
269.15524	1.9
271.16901	2.8
275.12930	32.0
275.15826	3.1
281.15585	2.2
283.13510	2.6
289.14499	5.7
299.16544	21.0
301.14911	2.2
305.77472	1.8
309.14883	2.2
327.15982	25.1
333.13458	5.3
343.15536	2.3
371.15030	21.2
389.16068	100.0
390.16260	5.7
391.13968	4.0
407.24036	3.0
433.15347	3.7
433.21609	2.1
451.16159	30.0
451.23361	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	451.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26308	0.5
58.47245	0.4
58.99970	0.5
59.01244	29.3
60.09180	0.5
61.98689	0.8
65.21252	0.5
69.03316	1.4
72.99164	17.4
75.33253	0.5
75.44276	0.7
81.48850	0.6
82.28940	0.5
93.03326	0.6
93.06958	1.1
96.95853	3.1
97.02824	2.1
97.06441	0.9
107.04898	1.1
109.02840	2.2
119.08569	2.5
135.08057	0.8
143.04910	0.7
143.08592	0.7
147.08112	0.7
151.07539	5.8
152.00989	0.8
153.01874	1.5
157.06490	0.7
160.05185	0.7
161.05898	1.3
161.72043	0.7
163.07616	1.7
165.12753	2.1
169.06506	1.2
171.08005	1.1
172.08777	1.2
174.10445	1.3
179.07027	1.8
184.08839	1.9
186.06827	0.9
187.03903	7.4
199.11267	0.8
201.12823	1.7
201.16472	2.4
202.09866	1.0
203.14348	0.8
213.16435	2.9
215.14439	1.3
217.15971	1.0
219.14072	1.0
219.17487	21.2
220.17778	0.8
223.14833	1.1
227.14418	2.7
228.07845	0.8
229.15939	17.1
231.17545	5.3
241.15898	5.6
245.15414	1.2
247.17062	6.3
255.14197	0.7
257.15469	1.4
259.16989	4.1
273.14981	31.3
274.15375	1.1
275.16507	7.1
285.15005	5.6
291.16049	5.5
301.14630	0.9
303.16034	3.7
311.12790	2.8
317.13940	23.6
318.14359	1.2
319.15533	3.5
329.13895	1.8
335.15027	100.0
336.15359	5.4
347.15024	19.2
348.15479	0.7
363.14502	10.2
391.14029	17.7
424.68622	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09309	1.3
58.99985	1.3
59.01241	98.0
59.02373	1.6
60.01582	1.4
61.63511	1.2
61.98688	4.8
69.03314	5.8
71.01247	4.5
72.97454	1.8
72.99165	87.4
86.94732	1.4
88.67742	1.4
91.05367	1.9
96.95856	2.9
99.10197	1.5
107.04898	5.3
108.01996	2.1
109.02834	12.4
109.06445	1.7
111.08006	1.7
117.07026	1.9
119.08526	3.6
125.09573	4.9
133.06464	1.7
145.06441	1.9
147.08018	4.7
151.00279	2.4
151.11185	2.6
153.01805	14.4
155.08478	1.9
158.07309	1.9
159.04387	1.8
161.05978	7.4
169.06496	4.9
169.08600	6.6
172.08835	1.8
173.06033	1.7
179.07118	2.3
183.08086	2.4
184.08878	10.5
187.07553	2.3
187.15202	1.6
201.05219	1.7
202.09952	6.2
203.14433	2.0
211.14851	2.5
213.16447	5.8
215.14404	3.1
219.17522	2.6
223.14894	6.0
228.07855	1.6
229.15948	26.5
230.16298	2.2
231.17395	7.6
239.14474	2.6
241.13644	3.5
241.15973	37.5
242.16267	2.1
245.37234	2.1
255.13902	6.8
257.15604	4.7
259.17032	30.6
267.13947	3.2
273.14963	16.4
275.16583	6.4
285.14935	29.6
291.15546	1.9
301.14392	4.1
303.16000	19.0
311.12915	14.9
319.15497	15.5
329.13983	7.4
335.15015	3.8
347.15024	100.0
348.15344	6.2
363.14459	10.4
391.14209	11.3
399.12851	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	451.2126
Annotation	Lespeflorin G3
Peak:m/z	Relative Intensity
59.01234	0.9
59.11646	0.4
61.98685	0.6
66.79068	0.5
78.95750	2.1
99.07995	1.0
112.27575	0.5
114.60184	0.6
119.04905	0.6
133.06453	0.8
135.08015	0.7
145.02818	1.7
145.06473	0.7
149.09599	1.2
152.99422	0.8
161.05986	2.1
161.47012	0.5
163.04022	0.6
163.07529	1.2
167.14697	0.5
171.00612	0.5
177.09120	0.7
189.05479	1.8
211.11205	0.5
217.08797	0.7
223.07574	0.8
237.09196	1.8
239.07169	0.9
244.32819	0.6
251.10825	0.6
255.23395	2.6
261.15088	2.6
263.07184	1.1
265.08701	2.2
266.05789	0.9
267.06866	0.9
267.10028	0.9
275.16653	0.6
279.10352	1.3
279.13690	0.8
280.07623	0.8
281.08252	6.3
294.09039	0.7
295.09711	5.8
295.17130	0.9
305.08258	1.0
307.13437	1.8
308.14127	0.7
309.07681	5.2
309.11292	1.4
309.14774	1.1
321.14880	0.8
323.09451	0.9
323.12897	1.3
323.16403	1.4
324.13696	1.8
333.11551	1.1
337.14352	2.3
339.15970	0.7
342.34790	0.7
349.14383	1.5
351.12344	1.2
352.13153	1.5
361.14185	0.8
362.14944	0.7
364.16907	1.5
366.14490	0.7
367.15552	0.7
407.22253	2.8
415.25082	3.7
423.21735	8.7
433.19995	1.2
451.21277	100.0
452.21732	5.7
452.27591	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87777	0.8
55.01743	3.7
56.58228	1.0
57.03318	6.6
59.01244	57.1
59.02457	1.5
69.03318	1.7
71.01239	100.0
71.02860	1.7
72.99181	2.3
73.02393	2.1
73.02802	37.5
75.00738	2.3
78.69779	1.0
81.03309	1.2
83.01241	16.1
85.02806	49.3
87.00718	4.6
89.01749	2.0
89.02293	25.7
95.01247	6.7
97.02818	3.5
99.00742	15.4
101.02302	96.1
101.05069	1.7
111.00758	2.0
113.02309	48.0
113.03107	2.3
119.03371	10.4
125.02298	7.3
129.01790	1.6
131.03380	1.6
132.51465	1.0
137.70355	1.1
143.03387	7.8
144.15907	1.0
149.04434	1.6
159.02898	12.1
161.04446	52.3
167.75670	1.0
173.04427	1.3
179.05525	5.5
213.80492	1.2
221.06656	2.3
233.11862	1.2
245.06758	2.6
263.07724	2.2
277.10825	3.9
289.16577	43.1
451.21869	54.1
452.22595	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	451.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27813	0.6
54.09357	0.6
56.28735	0.6
57.03315	2.0
58.00461	1.2
59.00079	1.9
59.01241	100.0
59.02532	1.3
60.01578	0.8
69.03320	2.3
71.01237	22.2
71.04867	0.8
73.02817	1.4
76.75677	0.6
81.03313	5.2
83.01261	2.3
85.02802	4.3
87.00716	1.1
89.02294	32.1
94.96267	0.7
97.06453	0.8
99.00724	0.7
99.04384	4.1
101.02299	22.6
113.02309	10.7
115.03894	3.4
119.03370	16.2
119.04173	1.5
119.64267	0.8
125.02341	7.1
126.02662	2.5
127.02798	1.8
131.03362	1.7
143.03372	2.7
144.81429	1.7
147.11685	2.9
149.04428	1.3
150.02762	0.9
154.46179	0.7
161.04393	3.5
165.12723	1.4
169.01701	0.7
179.05493	6.2
209.15346	4.0
229.18161	0.9
235.13358	0.9
253.14508	3.1
259.06122	3.1
260.06512	2.6
261.06696	3.4
269.04584	2.2
270.04901	1.2
271.05139	5.2
271.15451	5.0
287.05615	2.1
288.05942	1.7
289.06110	3.0
391.23340	3.5
433.20706	1.7
451.12366	9.1
451.21829	67.4
451.63852	0.8
452.16690	0.8
452.22067	3.9
458.62064	0.7
467.01404	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49593	0.4
54.59327	0.3
57.11188	0.4
57.29517	1.1
57.29773	0.6
60.70010	0.3
66.51828	0.3
70.67432	0.4
80.81897	0.4
81.93570	0.4
83.88394	0.4
90.87068	0.4
103.63956	0.4
115.86800	0.4
115.87575	0.5
117.03330	18.0
118.04153	5.4
119.04896	21.4
120.05225	0.4
121.02812	4.8
122.23949	0.4
123.04404	1.2
133.02837	0.8
134.03577	0.6
145.02838	47.4
146.03168	1.5
162.03122	2.7
163.03911	11.9
173.04367	0.5
191.32768	0.4
194.31708	0.4
242.05894	0.4
255.90912	0.5
269.27225	0.4
415.24930	100.0
416.25327	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	451.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20205	0.8
57.03318	1.0
57.44128	0.9
59.00964	1.9
59.01241	21.1
59.01520	1.9
59.21148	1.0
67.01753	2.3
71.01244	17.7
72.99168	3.1
78.95772	2.1
82.82240	1.0
83.01229	3.4
85.02804	35.6
87.00731	56.2
101.02300	1.1
111.00752	2.1
112.98661	2.4
113.02249	2.2
114.97200	1.1
115.00230	54.9
117.03343	1.9
119.04917	1.7
121.02841	2.4
128.03346	1.2
129.01797	5.3
145.02835	4.1
152.99458	2.6
157.01311	35.7
157.78125	1.1
163.03857	1.7
168.18005	1.0
175.02370	27.9
195.13794	11.1
205.12331	1.8
220.11287	1.0
222.98100	1.0
223.13376	6.7
256.13107	2.6
275.20142	4.1
293.21237	99.3
294.21628	6.4
335.22253	1.4
415.24854	7.4
433.25235	2.3
451.23361	100.0
452.23746	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	451.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00756	0.7
59.39551	0.8
62.43583	0.7
63.92320	0.7
71.05551	0.8
85.94581	0.8
85.96612	0.8
106.04083	1.7
107.04890	1.2
119.04890	14.2
121.02802	4.6
133.06464	2.7
158.98096	0.9
161.09631	1.0
163.08798	1.1
163.66090	1.1
174.61269	0.9
175.11166	2.1
189.12843	1.0
196.23438	0.9
219.31163	1.2
231.17462	1.4
237.08791	1.0
243.13388	1.1
323.23862	3.1
325.25397	43.5
326.25687	3.7
328.63531	1.0
369.24368	100.0
370.24628	7.3
452.16544	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	451.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
71.62254	0.4
86.54894	1.1
92.02551	1.1
99.92448	0.4
106.04101	2.3
107.04877	2.0
108.02064	1.0
119.04890	14.8
121.02816	5.3
129.09741	0.3
133.06468	4.5
147.07990	0.5
161.09653	0.8
175.11212	1.2
189.12794	0.9
203.14317	0.9
217.16000	0.9
231.17577	1.1
237.04378	0.4
253.15926	0.4
257.18988	0.5
281.19022	0.7
309.22360	0.8
323.23846	3.6
325.25388	45.8
326.25769	3.4
369.24368	100.0
370.24670	7.8
452.16733	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	3.8
67.01738	0.4
69.03337	0.2
71.01241	0.7
73.02821	1.1
78.95770	0.2
79.15924	0.2
83.04874	0.6
85.02814	0.2
86.66661	0.2
92.16648	0.2
93.02753	0.3
93.03322	4.9
99.00713	0.2
99.04358	0.4
111.04383	1.1
117.03326	0.3
119.04889	0.4
122.89283	0.2
129.01820	0.3
137.02322	0.8
143.03362	0.3
145.02856	1.0
151.02988	0.2
152.88597	0.2
155.03407	0.7
162.47348	0.2
173.04468	8.0
181.94125	0.2
233.22658	0.5
258.20480	0.2
259.20679	0.4
275.20035	0.3
277.09399	0.9
277.21741	100.0
278.22031	2.6
278.98782	0.4
281.03958	0.2
371.16437	0.3
405.13037	0.3
407.14456	1.4
407.18973	0.4
415.24875	2.4
451.13257	3.6
451.18091	4.5
452.18506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44859	0.9
59.26752	0.9
73.78530	1.1
78.95763	48.1
83.35381	1.0
87.03412	1.1
96.96822	3.0
117.03332	2.2
119.04850	1.9
140.01080	1.6
145.02821	5.1
152.99480	8.8
171.00507	7.4
194.30127	1.2
214.04881	2.6
249.36456	1.4
255.23294	100.0
256.23676	3.6
415.24857	3.5
416.25287	5.9
452.27530	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	452.2782
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
50.47150	0.4
50.47404	0.2
54.52344	0.2
64.06944	0.2
64.49306	0.2
72.56372	0.2
78.93938	0.3
78.95760	15.3
83.22415	0.5
90.27197	0.3
91.73400	0.2
117.03322	2.8
118.03574	0.3
118.04170	0.7
119.04924	3.4
120.05229	1.3
120.16578	0.3
121.02814	0.7
121.99994	0.6
140.01064	5.8
145.02832	8.9
145.03966	0.5
146.03169	2.6
152.99458	1.5
162.03114	0.5
163.03900	1.5
163.66393	0.4
164.04193	0.6
166.02760	0.3
181.14996	0.3
196.03737	9.1
214.04861	1.9
255.12682	0.9
255.23289	100.0
256.23666	4.5
391.02899	0.3
415.24893	6.3
416.25272	15.3
417.25534	0.9
452.27866	28.8
453.28421	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.2
59.01523	0.2
59.03035	0.2
62.96268	0.3
71.86130	0.2
75.51733	0.2
78.94103	1.1
78.95761	88.8
78.97680	1.3
79.58466	0.2
79.61932	0.3
89.02294	0.4
96.95860	0.7
96.96832	3.3
106.07729	0.2
110.98392	100.0
111.01573	1.2
111.98759	0.4
146.53783	0.2
149.94388	0.2
167.32486	0.3
191.70975	0.2
203.00519	0.2
236.55782	0.2
280.67334	0.3
289.80978	0.3
341.10748	0.9
358.02448	0.3
410.34219	0.3
453.10507	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91520	0.8
59.01233	2.5
72.99154	1.4
93.03308	6.0
96.95868	2.5
98.65240	1.2
108.02018	1.2
109.02844	8.3
121.02824	1.7
125.02251	1.4
133.02974	0.9
135.04420	8.3
136.01511	5.2
137.02338	4.5
149.73827	1.1
151.00304	1.4
151.03903	3.6
152.00912	1.3
153.01823	7.2
156.06540	2.2
161.02328	1.6
163.44368	1.1
165.01813	2.1
169.06471	3.2
171.04619	1.0
173.04494	6.9
191.03374	1.4
196.05380	1.2
211.04047	2.9
212.04617	1.1
227.03503	2.1
239.03497	2.6
240.04225	5.9
243.03030	2.4
253.05081	11.8
266.24652	1.2
267.03018	4.5
268.03778	42.2
269.04544	7.9
270.01761	2.8
271.02451	3.8
279.12280	1.5
282.05426	2.9
283.06134	58.0
284.06534	3.3
285.03961	7.1
286.04797	3.1
292.11862	3.3
299.05530	4.7
301.07358	8.7
318.05417	1.9
319.06073	2.1
347.05670	10.4
357.04102	1.9
359.06082	1.2
361.07193	4.1
373.07458	1.9
375.04840	5.4
389.06879	1.7
390.07486	23.8
391.08087	2.1
405.09821	39.3
406.10199	2.4
437.81845	1.2
453.11948	100.0
453.17194	4.0
454.06531	1.2
454.12164	6.0
454.17728	1.5
467.75223	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73872	1.3
57.03309	3.5
59.01241	2.9
61.98680	1.1
62.59906	0.9
69.03338	1.4
71.01248	1.4
80.68891	1.1
81.03323	5.4
82.46536	1.6
83.01235	5.0
85.02787	1.5
85.72482	1.2
88.03886	1.8
91.72685	2.2
93.03306	8.4
95.01254	2.7
95.04912	1.9
96.95874	2.5
97.02837	3.3
98.05983	1.2
99.08033	1.5
107.04903	1.6
108.02042	2.4
109.02818	24.3
111.04390	7.0
113.94760	1.2
121.02842	4.1
121.72136	1.3
122.45554	1.2
123.00796	6.3
123.04385	3.3
124.01547	4.8
124.03898	1.4
124.07578	1.2
125.02316	85.8
126.02640	2.0
132.02908	1.5
135.04395	11.4
137.02322	46.7
138.03114	1.3
139.03885	26.6
146.08116	5.1
147.04416	7.1
149.02322	11.3
149.06036	1.5
151.00337	2.3
151.03934	6.5
153.01843	7.2
155.03426	1.6
159.04373	1.9
161.02353	5.2
163.03841	2.8
164.01044	8.7
165.01843	25.5
165.05524	2.3
167.03386	24.0
173.04468	3.1
175.03932	4.9
175.07553	2.0
176.01067	2.5
177.01866	14.1
177.05438	7.1
178.02596	1.4
179.03409	23.7
187.07666	1.7
189.01973	1.9
189.05501	1.8
191.03432	7.3
201.05542	3.5
203.03488	3.9
204.04240	2.8
211.03941	1.5
213.05519	2.1
219.03078	3.1
219.06578	17.4
221.04526	9.9
229.05078	2.8
231.06549	17.0
243.02959	1.8
243.06549	3.0
255.06837	2.0
261.07715	8.1
273.07709	10.6
287.05695	1.8
289.07251	2.0
290.07971	2.9
299.05569	3.8
305.06723	92.0
305.10281	8.3
306.06982	2.7
313.07294	2.6
317.06650	17.5
327.08698	1.5
348.18289	4.0
359.07877	1.9
366.19263	5.4
453.11932	100.0
454.12036	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	453.1194
Annotation	Didymocalyxin A
Peak:m/z	Relative Intensity
50.66519	0.4
59.01225	1.8
60.27867	0.4
64.41035	0.4
67.01737	0.6
68.93150	0.4
71.01223	0.9
72.52048	0.4
80.97927	0.4
86.17751	0.7
86.18179	0.6
88.64862	0.7
93.03321	2.8
95.43477	0.4
96.95864	1.2
100.87135	0.5
101.05968	0.6
103.60329	0.4
109.02855	2.2
111.04336	0.6
121.02824	5.7
125.02293	0.6
125.81758	0.4
128.10886	0.4
134.03610	6.0
135.04434	1.0
137.02328	1.6
140.70158	0.4
143.04843	0.7
145.02881	0.5
147.04376	1.8
149.05949	1.5
153.01860	1.0
155.03391	0.5
168.69772	0.5
171.04330	1.0
173.04451	9.7
173.99106	0.5
177.61815	0.4
187.03882	2.2
188.04645	0.6
189.01854	1.0
191.03439	1.6
199.03972	2.4
213.01936	0.5
214.02626	2.0
215.03444	5.5
216.04091	0.8
226.02693	0.6
227.03458	1.0
241.01602	0.5
241.05067	1.7
242.02150	4.1
243.02963	12.5
244.03687	4.3
255.02966	1.2
257.04489	1.7
258.05316	7.3
268.03815	0.9
269.04553	2.7
270.01706	21.8
271.02484	42.2
272.02747	2.1
273.07813	0.5
279.12326	1.7
283.06125	0.8
284.03320	0.8
285.04047	57.4
286.04449	3.7
299.05667	2.3
321.13324	1.0
347.05652	1.4
390.07516	3.8
391.08163	2.5
405.09705	1.9
410.29813	0.5
453.11929	100.0
454.12244	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	453.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91520	0.8
59.01233	2.5
72.99154	1.4
93.03308	6.0
96.95868	2.5
98.65240	1.2
108.02018	1.2
109.02844	8.3
121.02824	1.7
125.02251	1.4
133.02974	0.9
135.04420	8.3
136.01511	5.2
137.02338	4.5
149.73827	1.1
151.00304	1.4
151.03903	3.6
152.00912	1.3
153.01823	7.2
156.06540	2.2
161.02328	1.6
163.44368	1.1
165.01813	2.1
169.06471	3.2
171.04619	1.0
173.04494	6.9
191.03374	1.4
196.05380	1.2
211.04047	2.9
212.04617	1.1
227.03503	2.1
239.03497	2.6
240.04225	5.9
243.03030	2.4
253.05081	11.8
266.24652	1.2
267.03018	4.5
268.03778	42.2
269.04544	7.9
270.01761	2.8
271.02451	3.8
279.12280	1.5
282.05426	2.9
283.06134	58.0
284.06534	3.3
285.03961	7.1
286.04797	3.1
292.11862	3.3
299.05530	4.7
301.07358	8.7
318.05417	1.9
319.06073	2.1
347.05670	10.4
357.04102	1.9
359.06082	1.2
361.07193	4.1
373.07458	1.9
375.04840	5.4
389.06879	1.7
390.07486	23.8
391.08087	2.1
405.09821	39.3
406.10199	2.4
437.81845	1.2
453.11948	100.0
453.17194	4.0
454.06531	1.2
454.12164	6.0
454.17728	1.5
467.75223	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.6
59.01241	11.9
61.98686	6.0
66.71906	2.4
72.99149	19.7
73.07143	3.3
73.45123	2.4
78.77959	2.8
81.68223	3.2
83.10393	2.9
85.49164	3.0
93.03328	11.0
96.95858	3.2
97.02816	6.9
97.49969	3.3
97.91087	2.9
107.04967	3.8
109.02829	13.8
111.04414	5.7
113.02318	11.4
117.06995	4.0
121.02853	3.8
121.10094	4.0
123.04373	4.6
125.02360	9.4
127.03857	4.2
135.04433	7.5
137.02318	15.2
139.03960	3.8
141.01802	3.9
147.04460	4.7
149.02347	3.5
150.03061	4.1
151.11212	5.3
153.01836	4.9
155.03391	5.6
159.04489	8.2
167.10683	5.2
169.04990	13.3
173.05829	3.1
174.06793	6.0
175.03836	3.4
175.07529	4.8
177.01843	5.6
177.12759	4.4
179.03493	5.3
179.10728	5.3
179.14326	4.9
187.03998	6.3
187.07579	4.1
189.09221	4.9
200.04736	4.5
201.01862	3.3
201.43317	3.7
203.03494	6.0
205.08636	3.6
207.10297	10.1
213.12837	3.6
215.07086	8.2
215.14484	5.3
216.11430	4.2
228.04436	3.7
229.04947	5.2
229.12366	7.2
229.16061	4.8
230.09467	11.6
231.13933	13.0
235.16965	4.8
243.13875	6.7
245.15518	14.0
253.10835	4.9
259.13223	8.1
260.06799	6.7
285.11438	4.6
287.12866	19.2
289.14642	3.8
291.05066	5.6
301.14487	6.1
303.12473	5.1
305.14017	14.6
307.15634	7.8
317.13904	15.6
319.15619	9.2
320.09207	8.3
331.11850	9.1
333.13605	5.8
335.14877	18.5
345.13367	4.3
349.13028	22.3
351.14517	95.7
363.14514	27.6
375.10995	14.1
379.14163	7.6
389.12613	9.5
393.11765	29.3
393.15552	3.5
403.10172	3.7
407.13510	100.0
417.25314	4.7
435.12991	96.1
453.14139	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02548	0.8
58.02843	1.1
59.01231	1.9
65.07675	0.7
72.00760	1.4
74.02315	2.0
77.66389	0.8
79.05411	1.2
82.02844	1.6
84.04400	3.5
87.24541	0.9
91.73301	0.9
94.67645	0.9
96.95879	2.1
98.12370	0.8
99.05533	1.1
99.08017	9.8
101.05955	7.5
101.07060	3.5
107.04874	1.8
109.06474	1.9
116.04905	4.4
127.04965	1.5
132.04401	1.4
134.05986	2.4
136.03925	3.1
136.05183	5.2
147.11620	1.1
148.07602	1.4
157.06096	8.9
160.03944	4.9
161.04636	1.7
163.11185	14.7
165.12737	16.1
175.11224	2.3
178.09924	2.8
190.12335	1.4
191.08101	1.2
191.10643	1.9
193.12263	39.2
201.05083	3.9
218.11806	3.6
219.11589	1.0
220.13448	3.0
235.11832	1.1
236.12984	6.6
246.10075	29.7
248.61383	1.0
256.74362	1.0
264.11365	1.6
278.09125	3.3
285.16119	2.7
303.17160	23.8
306.15823	2.2
321.18204	100.0
322.18634	2.6
347.16321	5.6
365.17249	16.1
391.15155	2.6
409.16220	2.4
453.15158	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81926	0.8
55.92057	0.8
61.67772	0.7
61.98697	1.8
64.64729	1.6
73.11972	0.7
79.10336	0.7
79.73567	0.8
85.59894	0.7
90.55057	0.8
92.96465	0.8
117.03320	2.5
121.02843	1.1
121.60002	0.9
132.02049	2.5
133.02831	2.1
137.02335	2.2
143.04869	1.2
145.02834	7.4
146.03624	14.0
147.04398	1.9
147.08101	1.1
147.91571	1.0
150.03139	3.2
151.03923	2.8
159.04504	4.2
160.05173	2.5
161.02362	2.9
162.03108	13.7
163.03903	2.3
165.05470	2.2
167.03432	7.8
173.02339	13.5
174.03136	11.2
175.03786	0.9
177.05527	2.7
179.03387	1.8
180.04202	33.9
187.03947	5.3
187.07605	1.5
188.04666	4.0
188.08405	1.0
195.06558	43.8
198.91878	0.9
201.01897	3.6
202.09865	1.6
203.10768	2.6
206.02139	3.0
215.07112	10.0
216.04279	5.6
230.09464	35.2
231.10120	6.0
243.06631	4.7
245.08153	1.4
258.08969	100.0
259.09753	94.5
259.12585	2.3
260.10153	3.0
351.14566	1.6
405.13577	2.2
407.13739	1.2
450.52005	1.1
453.15558	1.3
472.85706	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00190	0.6
54.45493	0.6
57.03325	3.2
58.00431	0.7
59.01242	83.3
59.02421	1.6
60.01571	3.3
61.01643	2.0
61.98399	1.0
61.98693	11.4
65.34274	0.7
65.79622	0.6
69.03304	1.4
71.01237	12.1
71.04856	2.0
72.01567	1.0
72.34443	0.7
72.99145	1.0
73.01679	0.6
73.02792	2.3
78.95737	1.2
81.03302	2.6
83.01228	1.1
83.04871	2.9
85.02790	3.0
87.00733	1.1
89.02296	12.8
90.02649	1.9
91.02710	0.8
91.73347	0.8
93.03313	4.7
95.03605	0.7
95.04884	0.9
96.95881	1.7
97.02823	5.9
99.00729	0.8
99.04362	1.3
101.02293	9.3
102.02662	1.5
107.08524	7.4
111.04365	4.0
113.02300	4.8
114.02639	1.0
115.00232	0.9
115.03879	1.8
119.03362	4.9
119.08539	3.0
120.03687	1.2
121.03799	0.9
123.04404	7.3
125.02363	1.1
125.05908	1.2
130.08658	0.8
133.10089	2.5
135.07980	1.6
137.09587	8.7
139.07518	0.9
143.03305	1.0
155.03380	5.6
155.07018	2.8
161.04454	1.9
161.13255	4.9
173.04469	14.6
175.02402	1.7
176.74120	0.7
177.09129	4.4
179.03389	1.5
179.05507	1.2
181.08612	34.1
189.12733	2.3
195.06625	1.4
195.47585	0.8
202.22501	1.9
205.12331	1.0
221.08170	1.4
235.13368	17.2
271.15549	1.2
272.16156	0.9
279.12381	100.0
280.12704	2.3
320.42963	0.9
333.19250	3.9
351.20135	1.5
383.87582	0.7
387.54523	0.7
393.17532	2.7
393.21686	1.8
409.17776	0.8
452.22229	9.5
453.17603	27.6
453.22668	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	453.19
Annotation	3'-O-Methyl-5'-hydroxydiplacone
Peak:m/z	Relative Intensity
54.07862	5.5
55.71096	5.9
59.01241	100.0
61.98692	18.6
68.91431	6.3
71.01247	15.5
73.02811	8.9
78.99164	7.5
81.71951	6.9
81.77367	6.6
85.38563	7.5
89.02296	37.0
99.04382	11.4
101.02290	18.5
111.01884	19.6
113.02306	15.9
119.03372	20.0
121.31444	7.7
128.95361	6.3
131.97000	7.7
147.08034	21.5
165.29465	7.4
179.05513	22.7
194.33774	7.8
247.17032	8.9
248.78691	8.2
263.59476	9.4
264.60233	7.6
351.14578	31.9
356.20328	9.8
380.42618	9.3
398.36386	10.6
407.13535	11.8
446.95389	10.7
453.19110	85.7
453.24667	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	453.19
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35520	3.6
52.63185	3.5
59.01245	50.2
61.48355	4.2
61.98690	40.9
71.01237	10.6
72.99157	12.6
73.02797	7.6
85.35829	4.4
88.48553	4.0
89.02311	8.0
93.03319	14.8
96.95875	20.3
101.02307	6.4
109.02847	5.3
113.02332	7.3
117.91872	5.0
125.02322	6.7
135.04376	7.4
137.02231	9.9
149.05934	5.0
155.03436	7.7
159.04468	6.6
167.10744	4.9
169.04953	13.2
173.04449	33.1
174.06723	7.3
178.02628	6.0
179.10793	6.0
185.23776	5.2
189.09299	4.8
196.60953	5.7
202.06282	5.8
207.10245	5.5
215.07077	6.5
216.11563	6.0
229.12392	6.0
230.09442	7.8
231.13972	12.4
235.09419	4.8
241.12332	5.7
245.15453	7.5
249.15051	6.8
251.09299	7.1
259.13403	6.9
273.15137	5.0
285.11206	6.1
287.12933	17.1
289.14499	7.9
305.14008	19.3
307.15405	6.4
317.14047	10.7
319.15665	5.3
320.09183	8.7
331.12039	9.9
333.13300	7.2
335.15018	14.4
349.13055	14.1
351.14502	76.2
353.27838	5.1
363.14450	21.6
375.10751	12.6
389.12543	6.9
393.11844	25.9
407.13486	87.3
422.15762	4.9
435.12961	100.0
436.13058	6.9
453.13513	23.1
453.19843	9.9
453.25079	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16132	1.6
55.01760	9.7
57.03323	2.4
59.01245	4.9
71.04887	4.7
75.38662	2.0
80.40447	1.8
83.04894	6.3
95.04874	16.0
97.06496	4.4
99.00759	4.7
107.04926	3.9
109.06448	14.2
119.04960	5.0
121.06484	6.2
121.12977	2.1
123.08024	24.2
133.06506	9.5
135.08057	4.4
137.09619	10.6
144.05740	3.7
147.04457	4.2
147.08031	24.7
149.06001	9.1
153.18407	2.3
161.05980	11.0
162.06847	5.9
163.07559	5.8
165.09111	90.4
167.03404	8.1
171.08244	2.3
175.07571	3.1
201.05559	3.6
207.06720	3.2
209.08115	67.2
216.62149	2.6
217.12283	100.0
219.13777	12.9
241.22031	2.7
243.10252	26.7
258.08835	2.9
261.11438	7.7
261.14996	3.8
281.15491	10.3
303.13925	2.6
351.14621	5.9
365.21234	25.1
381.20880	2.6
391.19321	3.9
409.20151	12.2
439.40320	2.5
457.38287	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02065	0.4
50.58148	0.5
53.40182	0.3
54.93437	0.4
56.20875	0.3
57.39836	1.0
57.40081	0.4
64.81778	0.4
79.24037	0.4
82.24336	0.4
85.27171	0.4
95.79038	0.4
105.91262	0.4
114.80862	0.5
117.03326	18.0
118.04127	6.5
119.04892	23.8
119.08236	0.5
119.78094	0.4
120.05209	0.5
121.02818	5.8
123.04354	1.6
129.28609	0.4
133.02855	1.0
145.02834	44.5
146.03171	1.5
153.73062	0.4
162.03133	3.5
163.03909	10.5
272.14282	0.5
288.02887	0.5
323.17734	0.5
326.23117	0.5
415.24957	10.7
416.25098	0.9
417.26483	100.0
418.26807	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	453.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02065	0.4
50.58148	0.5
53.40182	0.3
54.93437	0.4
56.20875	0.3
57.39836	1.0
57.40081	0.4
64.81778	0.4
79.24037	0.4
82.24336	0.4
85.27171	0.4
95.79038	0.4
105.91262	0.4
114.80862	0.5
117.03326	18.0
118.04127	6.5
119.04892	23.8
119.08236	0.5
119.78094	0.4
120.05209	0.5
121.02818	5.8
123.04354	1.6
129.28609	0.4
133.02855	1.0
145.02834	44.5
146.03171	1.5
153.73062	0.4
162.03133	3.5
163.03909	10.5
272.14282	0.5
288.02887	0.5
323.17734	0.5
326.23117	0.5
415.24957	10.7
416.25098	0.9
417.26483	100.0
418.26807	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	453.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73803	2.7
52.35957	3.0
56.39754	3.2
59.01239	8.9
59.15152	3.5
69.64289	3.7
70.80854	3.5
71.01247	11.6
80.77409	4.0
83.37621	3.4
84.38087	4.0
89.02254	4.7
110.69427	4.0
117.12634	3.8
118.17316	3.8
119.04891	10.8
120.88098	4.9
145.02867	7.4
188.64487	4.6
255.23270	100.0
279.23349	11.0
314.02481	5.5
327.26849	6.0
371.25977	8.6
409.14371	13.2
415.15714	6.4
415.24701	17.1
453.12930	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	453.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70724	0.3
59.00974	0.5
59.01241	5.8
67.01742	0.4
71.01206	0.4
73.02790	1.1
85.02780	0.4
93.03308	4.3
111.04380	1.2
113.12697	0.4
116.01450	0.4
117.03269	0.5
119.04872	0.9
121.02813	0.6
137.02312	0.8
143.03365	0.4
145.02824	0.8
155.03384	0.8
173.04451	7.5
208.94568	1.1
209.94751	0.6
231.91466	1.0
232.91626	0.4
233.91217	0.6
252.93590	1.8
253.94125	0.5
254.93385	0.5
260.93759	0.5
261.22211	0.6
279.23285	100.0
280.23669	4.5
327.26938	3.1
360.78262	0.4
371.25757	1.6
381.25504	0.4
396.77554	0.4
409.20535	0.9
415.25040	1.1
416.06213	1.2
417.06540	3.4
418.05997	3.3
453.19482	8.7
454.19580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05559	1.2
61.24056	1.3
61.98695	10.0
71.98352	1.4
72.27443	1.2
73.75723	1.2
105.91869	1.3
106.04131	2.6
107.04927	6.3
119.04902	12.9
121.02805	6.7
127.32680	1.4
133.06487	3.4
158.11014	1.3
175.11215	3.3
204.96278	2.0
278.88321	1.4
323.23785	3.1
325.25372	51.1
369.24377	100.0
370.24649	6.8
454.22263	14.4
455.28131	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01181	0.1
59.01242	2.0
60.41790	0.1
61.98060	0.1
70.53308	0.1
71.01225	0.2
72.99162	1.0
76.28924	0.1
77.66016	0.1
78.95757	0.8
79.95583	1.4
85.02849	0.1
87.00751	0.1
88.29149	0.1
93.03332	0.2
96.93552	1.1
96.95868	100.0
96.98531	1.3
97.95820	0.1
99.08025	0.1
101.02296	0.2
109.02826	1.3
123.04360	0.1
125.02326	0.2
135.04425	0.2
137.02350	0.4
137.05904	0.1
147.04425	1.3
153.01920	0.2
158.03703	0.1
159.04422	1.4
161.71323	0.1
163.03880	0.2
165.05571	0.1
167.39101	0.1
167.82472	0.1
173.04533	0.3
177.01842	0.3
247.13483	0.2
256.36093	0.1
269.08200	0.7
291.23816	0.1
293.13974	0.3
313.07242	0.4
313.10837	0.2
321.27222	0.2
325.03903	0.2
367.14291	0.3
395.20956	0.3
455.03473	0.3
455.13309	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	455.0975
Annotation	FMN
Peak:m/z	Relative Intensity
50.63766	0.3
51.04175	0.3
59.01231	1.4
61.98694	0.5
71.01249	0.7
72.99169	0.8
78.95757	75.3
78.97621	1.2
87.00741	0.5
89.02267	0.6
92.85198	0.4
93.03330	0.6
96.96817	100.0
96.99334	1.5
101.02293	0.7
113.02309	1.2
121.92341	0.5
128.03398	0.7
138.97893	4.9
141.01822	0.5
143.04407	0.5
173.04411	1.0
180.98973	0.7
184.08694	0.6
198.06650	2.3
199.00046	13.6
200.89162	0.5
212.08264	6.1
213.01631	12.1
241.07317	4.8
255.08859	7.9
316.03745	0.4
334.50400	0.7
427.12415	0.9
455.09720	30.3
456.10123	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14067	0.3
58.00460	2.1
59.01237	0.9
61.00879	2.1
64.29439	0.4
69.03310	0.9
71.01221	1.1
72.99158	1.6
75.94063	0.9
75.94453	0.7
78.30655	0.5
83.04899	0.7
85.02816	2.6
87.00722	1.0
93.03315	12.3
99.04380	2.2
101.00353	0.4
107.04900	3.0
109.02805	3.2
111.04386	3.4
112.98640	0.9
113.02295	1.0
119.04910	2.1
127.03911	0.7
131.04878	1.3
135.04385	1.1
137.02336	3.4
143.03375	1.5
145.02795	0.4
147.04407	5.1
149.05962	4.7
155.03404	0.7
155.05090	0.9
157.41653	0.4
159.24660	0.4
163.03897	0.6
165.05475	20.9
166.05801	1.1
173.04456	4.4
175.03905	1.2
179.03426	1.2
181.03072	0.7
188.94353	0.6
191.05525	21.4
192.05875	1.2
193.05022	4.1
198.04388	0.6
199.04099	8.3
216.05579	1.5
217.05200	40.7
218.05522	1.0
219.02899	1.1
219.04778	1.1
230.85323	0.4
274.04907	0.5
275.05823	0.9
277.63687	0.4
281.04779	1.6
287.05814	0.9
303.05249	0.5
306.04019	0.9
309.94174	0.5
320.05829	0.5
323.05722	0.7
365.10498	5.4
379.08414	1.0
381.09995	0.7
393.10031	4.9
409.09628	0.5
412.08371	0.7
437.09006	1.5
454.10464	0.9
455.10095	100.0
456.10355	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	455.1002
Annotation	Epigallocatechin 3-O-vanillate
Peak:m/z	Relative Intensity
51.74048	0.3
52.50216	0.3
58.00462	2.3
59.01233	1.3
61.00866	1.3
64.29440	0.5
67.01745	0.7
69.03297	0.8
70.35222	0.5
71.01221	0.5
72.99161	1.4
75.94070	0.9
75.94446	0.6
80.15672	0.5
83.04887	0.4
85.02811	3.3
85.82298	0.5
87.00717	1.1
93.03323	10.4
99.04364	1.7
107.04887	2.7
109.02821	2.5
111.00723	0.5
111.04359	3.1
112.98650	0.6
113.02306	1.1
119.04890	2.1
127.03862	0.8
131.04921	1.0
137.02344	2.2
143.03380	1.5
147.04396	4.9
149.05956	5.5
150.06296	0.5
155.03395	1.4
165.05469	20.0
166.05861	1.0
173.04462	4.6
175.03867	1.0
179.03368	0.7
191.05524	19.3
192.05873	1.0
193.05009	4.3
199.04128	8.4
216.05562	2.0
217.05194	35.9
218.05579	0.9
219.04643	1.4
274.05032	0.5
275.05875	0.8
281.04810	1.6
287.05704	0.8
303.05408	0.9
306.04117	0.7
312.21249	0.5
316.60632	0.5
365.10513	5.5
366.10822	0.6
393.10101	4.6
437.09109	1.8
454.10370	2.2
455.10104	100.0
456.10410	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62344	0.8
55.83567	0.7
57.03320	3.2
58.93867	0.8
59.01255	3.2
67.01768	2.3
69.03333	4.5
71.01266	3.6
71.04902	1.9
72.97498	1.5
72.99166	80.4
73.00703	1.4
75.00755	1.1
75.75128	0.9
78.95771	11.6
79.42052	1.0
85.02805	5.9
87.00774	4.2
93.03316	16.4
93.03907	1.3
96.95889	6.0
96.96811	13.0
97.02837	3.7
99.04424	1.1
106.72589	1.0
108.02068	1.4
109.02834	1.9
110.61798	1.0
111.04433	3.7
113.02308	100.0
121.02850	3.1
122.73870	1.0
123.04421	2.4
125.02315	25.8
129.09116	1.3
133.06427	1.3
135.04422	2.2
135.08072	1.1
137.02328	2.7
139.03833	1.2
141.01817	23.5
144.37949	1.0
149.02316	1.8
151.03897	2.0
153.01854	1.2
155.03429	1.3
163.03885	1.9
163.07581	2.2
165.01871	1.2
165.09169	2.9
167.03455	5.3
171.11789	2.1
173.04494	12.8
173.05972	2.4
174.06871	1.1
175.07587	1.7
177.01945	3.7
191.03902	1.1
191.05614	2.8
193.08749	1.6
201.05620	1.6
201.12743	1.2
211.09807	1.4
213.01765	1.8
215.10658	1.4
217.05258	1.5
217.12308	1.7
221.08420	1.2
223.04347	1.1
227.10982	1.5
229.05202	1.1
231.10309	2.6
245.11877	1.6
247.13519	2.8
257.11829	1.4
260.27151	1.2
275.13025	2.8
281.14105	2.7
291.12466	1.4
293.14035	2.6
307.12012	3.0
309.06070	5.0
313.09628	1.6
319.11938	3.8
327.71228	1.1
337.13055	3.8
367.14215	3.3
381.11887	5.4
393.12061	2.2
399.13016	40.0
399.18283	2.0
400.13702	1.5
409.11856	1.3
411.13080	3.7
427.12473	73.7
428.13055	3.1
455.11966	29.9
455.19363	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	455.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17503	0.9
59.01250	1.5
63.48137	1.1
67.01758	2.2
69.03326	7.5
69.61918	1.1
71.01250	2.5
71.12222	1.0
72.99167	100.0
73.00838	2.0
75.34550	1.3
95.04871	1.2
99.08028	2.1
106.52084	1.1
108.02054	2.7
119.04895	2.5
121.02825	4.0
123.04391	4.2
123.60884	1.1
125.09637	2.9
127.07523	2.3
129.09116	6.0
130.11804	1.1
131.58934	1.2
134.03644	1.3
135.04416	4.0
137.05954	9.3
137.67097	1.2
141.09187	1.3
142.02650	1.6
149.05988	2.9
149.80782	1.2
151.03879	7.3
153.05391	1.4
153.09087	2.1
159.04312	1.5
163.03899	8.2
164.04750	1.5
165.05447	17.0
167.07007	7.8
169.08609	3.6
175.04053	1.9
176.04622	2.0
177.01898	1.9
177.05501	2.0
179.03421	1.9
181.04959	1.9
186.06764	1.3
188.78278	1.2
193.15947	1.2
199.09644	1.4
203.14378	1.4
207.13684	1.2
211.95314	1.4
219.13841	2.0
221.15552	1.4
227.09254	3.6
230.05829	1.7
231.13864	2.6
233.11792	4.2
233.15622	1.4
236.06943	2.5
241.12543	1.4
247.13376	31.6
249.14969	2.0
259.13358	2.7
261.14957	2.5
269.15103	1.3
275.12979	2.1
277.14523	1.8
285.89169	1.4
287.13010	4.0
293.13980	38.5
295.15521	3.4
319.11890	2.7
346.93933	1.2
349.12848	2.1
367.13986	35.1
380.33322	1.4
393.11975	3.3
411.12964	12.7
455.12024	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	455.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.9
58.79090	0.4
59.01236	1.1
61.57829	0.4
65.00186	1.0
68.99661	0.9
71.01236	9.6
72.06501	0.4
72.99157	0.8
81.03296	0.8
82.68378	0.4
83.01230	5.5
85.02798	1.0
87.00715	3.3
87.04369	1.2
89.02299	5.3
93.03316	1.2
94.07264	0.4
95.04855	0.4
96.95888	0.8
99.00740	0.4
107.01257	1.4
109.02813	2.0
109.03500	0.4
111.04368	0.8
113.02361	0.6
115.00231	13.4
117.01834	0.9
121.02813	0.5
123.00734	1.7
124.01535	2.5
125.02295	5.1
128.03380	0.5
132.97119	0.4
133.01308	33.5
133.04941	45.1
137.02328	0.7
139.03882	3.6
151.00252	9.7
152.96764	1.4
153.01819	100.0
154.02147	1.1
159.02910	0.6
165.05457	0.8
167.03404	19.3
173.04491	0.9
175.25569	0.5
177.01694	0.5
183.02962	1.0
189.07614	0.5
191.05475	1.8
195.02866	0.5
217.05246	2.2
233.46330	0.5
242.11600	0.5
265.09271	2.2
296.49261	0.5
321.06149	0.8
326.29160	0.5
443.91959	0.5
455.10022	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	455.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30469	0.5
55.55743	0.5
59.01236	1.2
63.76982	0.6
67.01745	1.1
68.80365	0.6
69.03312	6.4
71.01239	2.4
72.97572	1.7
72.99167	100.0
73.00944	1.3
75.00728	1.0
76.15013	0.6
90.61626	0.8
93.03324	0.8
95.08559	0.9
99.08005	2.6
108.02036	1.2
109.06451	1.4
119.04884	1.8
121.02821	2.0
121.06504	0.9
122.03579	1.2
123.04384	4.2
125.02307	0.8
125.09597	2.7
127.07541	1.2
129.09071	6.1
135.04385	3.9
136.01527	0.8
137.05948	8.0
139.07553	1.9
141.09129	1.4
147.04425	1.2
149.02307	0.9
149.05988	3.9
151.03908	7.3
151.07539	1.0
153.05490	1.5
153.09097	2.5
157.08543	1.4
161.05971	0.8
163.03877	6.4
164.04741	1.0
165.05470	14.6
165.09201	0.7
167.07054	7.1
169.08667	3.4
173.05997	0.7
174.06746	1.4
175.03886	1.9
175.14795	0.8
176.04739	1.0
177.01842	2.2
177.05492	1.9
179.03433	1.6
181.04939	0.8
181.08572	1.4
183.10257	0.8
190.06317	2.1
197.08029	0.8
199.09552	1.3
201.05484	1.6
202.06285	1.5
203.14413	1.6
205.12291	1.7
207.13902	1.3
215.14429	1.4
218.05762	1.0
219.13892	1.3
221.15451	1.4
227.09177	3.2
230.05807	2.1
231.13823	2.5
233.11769	3.8
233.15369	1.6
236.06879	1.7
237.71919	1.1
247.13385	27.3
248.13783	1.6
249.15002	2.0
259.13339	3.1
261.14978	2.3
265.14453	1.4
275.12860	2.8
277.14383	1.4
279.16031	1.0
287.12897	2.2
293.13977	30.3
294.14136	1.4
295.15521	3.0
303.12402	1.2
319.11859	2.0
332.40387	0.7
349.12677	1.7
367.13992	28.3
368.14188	1.5
393.12082	1.4
411.13025	10.4
455.12021	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	455.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30823	0.5
54.50880	0.5
55.96557	0.6
57.03303	2.2
59.01218	1.7
69.03305	1.4
72.99180	4.2
75.01635	0.6
81.03307	1.6
81.45727	0.7
83.01229	3.1
89.02293	0.8
93.03310	4.5
95.01247	1.6
95.04899	1.9
95.18857	0.6
96.21772	0.6
96.95880	2.8
97.02801	3.1
101.02307	2.3
108.02036	2.7
109.02814	10.0
111.04393	4.8
119.04909	1.7
120.99499	0.9
121.02804	2.5
121.06403	0.7
123.00736	2.4
123.04372	5.7
124.01542	2.7
124.98111	0.7
125.02318	50.7
126.02670	0.9
128.03394	1.3
129.89536	0.7
133.06496	1.1
135.04401	1.8
136.01587	0.9
137.02319	23.4
138.03108	1.2
139.03893	13.7
147.04428	1.5
149.02342	1.0
149.05966	1.8
151.03906	3.7
153.01817	1.2
158.03622	0.8
159.04430	1.2
161.02370	4.3
163.03906	1.9
164.01054	5.1
165.01840	12.7
165.05478	2.2
166.02577	1.2
167.03404	14.1
173.05960	1.3
175.03857	3.4
175.39969	0.8
177.01854	6.2
177.05464	3.1
177.12741	0.8
178.02594	0.9
179.03407	12.5
191.03477	1.5
191.07054	2.0
193.04976	0.9
195.02933	0.9
201.05531	2.2
203.03450	2.4
204.04144	2.2
205.04950	0.7
213.01944	0.7
217.04947	1.2
219.06555	11.1
221.04520	6.4
237.07613	1.0
237.66162	0.8
243.06705	1.0
247.02538	1.2
247.13205	1.0
261.07825	3.8
287.05692	0.9
287.09335	1.0
293.13864	1.0
294.42108	0.8
305.06693	100.0
306.07083	4.1
331.08176	2.5
343.08267	6.7
349.21384	1.4
411.03595	1.6
455.16669	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30823	0.5
54.50880	0.5
55.96557	0.6
57.03303	2.2
59.01218	1.7
69.03305	1.4
72.99180	4.2
75.01635	0.6
81.03307	1.6
81.45727	0.7
83.01229	3.1
89.02293	0.8
93.03310	4.5
95.01247	1.6
95.04899	1.9
95.18857	0.6
96.21772	0.6
96.95880	2.8
97.02801	3.1
101.02307	2.3
108.02036	2.7
109.02814	10.0
111.04393	4.8
119.04909	1.7
120.99499	0.9
121.02804	2.5
121.06403	0.7
123.00736	2.4
123.04372	5.7
124.01542	2.7
124.98111	0.7
125.02318	50.7
126.02670	0.9
128.03394	1.3
129.89536	0.7
133.06496	1.1
135.04401	1.8
136.01587	0.9
137.02319	23.4
138.03108	1.2
139.03893	13.7
147.04428	1.5
149.02342	1.0
149.05966	1.8
151.03906	3.7
153.01817	1.2
158.03622	0.8
159.04430	1.2
161.02370	4.3
163.03906	1.9
164.01054	5.1
165.01840	12.7
165.05478	2.2
166.02577	1.2
167.03404	14.1
173.05960	1.3
175.03857	3.4
175.39969	0.8
177.01854	6.2
177.05464	3.1
177.12741	0.8
178.02594	0.9
179.03407	12.5
191.03477	1.5
191.07054	2.0
193.04976	0.9
195.02933	0.9
201.05531	2.2
203.03450	2.4
204.04144	2.2
205.04950	0.7
213.01944	0.7
217.04947	1.2
219.06555	11.1
221.04520	6.4
237.07613	1.0
237.66162	0.8
243.06705	1.0
247.02538	1.2
247.13205	1.0
261.07825	3.8
287.05692	0.9
287.09335	1.0
293.13864	1.0
294.42108	0.8
305.06693	100.0
306.07083	4.1
331.08176	2.5
343.08267	6.7
349.21384	1.4
411.03595	1.6
455.16669	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48859	0.3
54.06353	0.3
54.78875	0.4
57.03326	2.3
59.01233	0.8
59.91322	0.3
64.18660	0.4
66.29105	0.3
67.01723	0.5
68.57545	0.3
69.03310	1.5
71.01225	0.7
72.21904	0.3
72.97594	0.4
72.99167	15.1
74.98965	1.9
75.00786	0.3
78.95758	2.2
81.03304	1.8
83.01250	2.8
83.04892	0.8
93.03327	3.4
95.01247	1.6
95.04887	1.9
96.95879	4.0
96.96838	0.9
97.02805	2.6
98.95470	1.7
98.96296	0.3
99.04369	0.5
101.34229	0.4
107.04874	1.0
109.02816	8.3
111.04375	4.8
119.04934	2.0
121.02847	2.4
121.06458	1.0
123.00749	4.1
123.04385	2.1
124.01513	3.2
125.02316	53.5
125.06091	0.6
126.02698	0.9
129.09093	0.7
131.04903	0.8
131.07031	0.8
133.02867	0.5
133.06483	0.7
135.04401	2.4
136.98997	1.5
137.02325	21.2
137.05943	1.4
138.03159	2.2
139.03896	14.6
140.04185	0.4
147.04414	1.4
149.02359	1.3
149.05936	2.0
151.03896	5.0
153.05502	0.4
153.09163	0.5
154.02603	0.5
155.03413	0.5
158.03697	0.6
159.04428	1.8
161.02348	2.3
161.06012	0.4
162.03111	0.6
163.03908	3.7
163.07629	0.5
164.01045	5.6
165.01834	16.2
165.05466	3.4
166.02509	1.4
167.03404	14.2
167.07004	0.9
173.04564	0.4
173.05991	1.2
175.03915	3.7
175.07545	0.6
176.04675	1.2
177.01878	5.2
177.05489	5.0
178.02612	1.1
179.03416	12.9
181.05045	0.9
190.02634	0.7
190.06252	0.5
191.03436	1.4
191.07051	2.4
193.04936	0.9
200.04674	0.7
201.05554	1.3
203.03438	3.5
203.06934	0.4
204.04211	3.3
205.05005	1.2
215.07100	0.4
217.05038	1.6
218.05881	1.0
219.06583	11.6
220.06984	0.5
221.04526	7.3
231.13940	0.5
233.08150	0.6
233.11786	0.5
235.13478	0.5
237.07466	0.4
241.00203	1.1
242.99928	0.7
243.06598	1.4
245.04518	0.8
247.02464	0.9
247.13403	3.8
257.08240	0.4
259.13367	0.5
261.07669	3.4
263.05447	0.5
287.09164	0.7
287.12888	0.4
293.13943	3.5
305.06689	100.0
306.07043	4.2
315.08609	0.6
331.08234	3.0
341.37006	0.4
343.08289	6.2
344.08829	0.5
361.09698	0.6
367.14020	3.8
375.09149	0.4
411.13196	1.3
417.70343	0.4
455.06009	1.5
455.13092	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	455.156
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	1.0
58.43528	1.0
59.00970	1.6
59.01241	19.2
60.52850	0.8
61.98692	66.8
69.03311	7.3
71.01231	5.5
71.04883	1.6
72.99163	88.5
73.00791	1.3
73.02799	4.0
75.00743	1.1
81.03296	1.2
83.01218	1.9
83.04864	3.4
85.02800	2.3
87.00730	1.3
87.05500	5.2
89.02280	1.9
93.03309	7.0
97.02806	22.4
97.05284	1.1
99.00731	1.2
99.04372	3.1
99.07992	2.4
101.02278	3.0
101.05932	5.3
103.17171	1.0
108.02010	3.0
109.02814	1.9
109.06413	1.1
111.00737	1.1
111.04347	6.5
113.02323	2.9
113.09599	2.1
115.03850	3.2
116.07021	15.0
121.02839	3.0
121.06461	1.8
121.10098	3.4
123.04404	2.9
125.02305	4.6
125.09543	1.3
127.03883	10.4
129.05585	1.7
129.06561	6.5
129.09134	1.8
130.08607	1.4
135.04384	1.5
137.02348	1.7
137.05974	2.6
137.09557	1.4
139.03935	1.1
140.04694	2.3
141.01805	2.3
141.06976	1.9
145.02771	1.8
147.04410	1.8
149.05992	3.2
149.09615	12.1
150.03075	1.6
151.03870	1.5
153.01794	1.5
153.09099	1.6
153.53862	1.2
157.06520	1.3
158.07259	4.1
160.01598	1.3
163.07533	1.2
165.01727	1.1
165.05536	2.2
165.09102	2.2
165.12744	1.4
167.10657	8.9
171.04379	3.5
173.04463	28.0
173.05957	1.9
174.03174	1.0
174.06654	1.6
175.03839	1.5
176.08405	1.4
177.09131	3.6
178.61232	1.4
179.10657	3.0
181.08649	1.8
182.08984	2.3
185.06023	2.3
185.16512	6.0
186.06757	10.0
187.14854	2.6
193.12367	1.7
195.10210	4.0
196.10651	1.1
197.11697	1.3
197.13373	1.4
199.11241	1.3
199.14825	1.1
202.06497	1.5
203.10750	1.7
203.14401	2.9
204.07889	1.2
204.11546	1.7
205.15935	2.3
206.11836	1.4
207.10252	2.1
209.07942	1.1
212.04736	1.2
214.09973	2.9
215.14381	14.6
217.15828	1.8
219.14029	1.3
221.15367	1.8
224.13844	1.1
225.11119	2.8
225.13034	1.6
230.05806	1.2
231.10242	2.5
231.13931	3.7
233.15398	8.7
235.13385	1.2
237.71828	1.2
243.13889	29.0
247.13356	2.1
247.77203	1.4
249.14928	2.6
251.16472	1.3
259.13425	3.5
261.14899	11.0
277.14429	4.6
279.16031	6.8
281.14120	1.2
287.12875	45.2
288.13132	2.1
289.14529	2.5
295.15582	2.4
298.25012	3.5
299.18640	1.6
305.13974	11.9
307.15555	2.6
323.15094	3.5
325.16568	13.0
331.11954	4.4
349.12909	49.4
350.13315	2.1
363.14459	2.0
367.13980	100.0
368.14334	4.0
369.28741	1.8
377.12335	1.7
379.14111	2.7
381.15601	4.4
395.13443	1.9
399.16629	3.5
423.12878	1.4
427.16040	3.0
455.14981	6.7
455.28818	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.7
59.00971	5.1
59.01242	68.1
61.98694	18.8
70.57927	3.0
71.01241	25.6
73.02803	16.3
78.62236	2.7
85.02782	6.0
87.00707	3.1
89.02293	39.6
91.05348	3.1
93.03280	4.7
94.15180	3.5
96.96779	3.1
97.02823	3.8
99.00729	13.6
101.02306	21.6
107.04889	3.4
113.02301	7.7
113.05933	3.9
125.02344	4.1
131.03404	7.6
149.04451	39.7
149.09575	16.1
153.09102	3.7
163.11148	5.4
167.10664	4.1
169.08609	19.7
173.04472	15.0
174.01552	4.8
191.05612	5.4
191.10689	16.5
191.14445	5.1
193.64082	3.3
197.08133	29.6
203.14282	5.0
219.13815	29.6
221.06544	6.5
234.01318	3.4
247.13490	5.0
249.14961	54.4
251.07658	4.3
268.74521	3.4
281.14069	28.7
284.03418	4.2
293.13818	20.0
311.09592	4.0
349.16663	6.8
367.17789	15.6
419.19275	66.7
437.25470	100.0
455.16818	76.8
468.68387	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	455.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37391	1.8
56.45323	1.9
56.58320	1.8
59.01242	4.5
61.98684	2.0
66.94247	1.6
77.43211	1.7
85.21863	1.9
93.03279	2.6
96.95880	2.3
98.20646	2.1
121.02856	5.8
123.04348	10.4
124.01511	10.6
125.65127	2.2
139.03906	6.5
149.02338	16.4
150.03119	4.3
151.00163	2.6
153.01784	10.3
167.14354	7.0
168.04095	2.4
169.16389	2.3
177.01854	73.0
178.02626	97.6
179.03430	5.9
180.04158	2.6
192.04207	46.6
193.04987	100.0
211.13383	7.3
228.16025	41.1
229.14558	6.5
233.11847	8.0
239.07201	2.5
245.11816	5.9
263.12860	2.9
279.06705	4.9
285.11423	3.2
322.08008	2.4
347.97916	2.5
359.13855	2.3
407.15146	2.8
411.18228	5.2
425.15973	5.8
437.16302	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	455.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13277	0.1
55.89012	0.1
59.01233	0.3
63.40378	0.1
64.14783	0.1
83.25399	0.1
88.88374	0.1
93.01088	0.1
93.03314	10.4
93.05811	0.1
95.04854	0.2
106.04109	0.4
107.04869	0.4
117.03286	0.3
119.04891	10.9
120.05231	0.1
123.04372	0.4
130.04102	0.7
131.04875	0.3
132.05714	0.7
136.34464	0.1
143.04909	2.0
144.05640	0.1
145.06482	3.1
156.05708	0.1
157.06477	1.1
158.07243	0.3
159.04384	0.4
160.90918	0.1
170.01953	0.1
207.08105	0.1
209.09673	0.3
222.06784	0.3
223.11292	0.2
235.07611	0.7
236.08397	0.4
249.09267	0.7
250.09987	1.3
251.10760	100.0
251.21973	0.8
252.11092	3.9
302.75867	0.1
395.15018	0.4
426.86148	0.2
455.17004	0.4
456.23813	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	455.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83392	1.5
58.16233	1.7
59.01229	2.9
71.01225	1.9
82.12814	1.7
84.79749	1.9
90.49094	1.9
90.92486	1.6
93.03304	2.0
101.05947	3.2
108.02028	2.5
109.02802	10.4
120.46401	1.8
121.02822	2.4
122.03573	2.3
123.00715	4.2
123.04385	88.4
124.01528	82.2
125.02290	2.8
133.06467	2.2
135.04393	3.2
136.01491	2.3
137.02345	4.2
139.03886	60.6
139.04887	3.8
149.02267	2.8
149.05994	3.1
150.03119	9.5
151.03908	5.4
153.01822	17.9
159.04439	2.4
160.01553	4.0
161.02365	6.2
163.03949	9.5
163.07599	8.0
164.01010	3.3
165.01854	5.3
165.05551	2.9
166.02629	5.4
172.05145	2.6
173.05977	7.3
174.03165	4.8
175.03932	6.2
175.07509	1.8
177.01843	6.3
178.02669	6.1
179.03471	3.3
181.05026	4.5
187.03900	3.2
189.01982	3.9
189.05592	2.3
190.02588	5.5
191.03476	6.8
192.04149	3.7
192.15669	1.9
193.01405	2.8
201.01935	3.1
201.05536	9.4
202.02716	7.7
202.06174	3.7
202.09933	2.1
203.07086	3.5
206.02275	3.1
209.04433	5.1
211.07607	3.2
213.05620	4.7
215.03568	2.4
215.07109	7.9
217.05077	4.2
217.12262	4.9
221.04552	7.6
223.07726	3.0
229.01390	3.2
229.04861	2.1
230.09531	3.2
231.06494	4.8
233.11821	3.3
239.07175	7.6
241.05121	2.8
244.11024	2.4
245.11806	60.3
247.13414	2.2
251.07246	8.5
253.08810	4.1
255.10234	2.8
257.11725	12.1
258.09070	5.5
259.09814	4.8
259.13364	2.8
261.11218	3.2
263.07162	4.2
265.05118	5.8
266.05896	3.5
267.06601	19.3
268.07489	5.7
277.05237	2.8
279.06677	7.6
280.07483	3.9
281.05316	2.2
281.08020	11.1
282.05133	2.5
283.06149	9.6
284.06815	3.4
285.11243	17.1
286.08472	42.0
286.11450	2.0
287.09158	2.8
291.06683	5.2
292.07303	2.8
293.04730	3.5
293.08142	5.1
294.05511	5.2
295.06079	31.7
296.06857	15.7
297.07831	13.1
298.08463	6.7
299.09149	2.7
301.10809	100.0
302.11310	3.5
308.07147	3.6
309.07581	10.9
310.08511	8.0
311.09308	8.2
313.10873	3.0
315.12427	7.7
316.09683	5.1
319.06262	7.2
320.07065	4.8
321.07733	7.6
323.05594	32.3
324.06107	4.3
325.07065	2.7
327.08728	2.5
331.11862	12.3
337.07208	15.3
338.07901	19.1
341.06570	6.0
341.10498	4.7
353.10318	28.0
355.08380	5.1
356.09122	21.7
363.12659	2.3
365.06671	7.9
365.14041	4.4
371.11539	3.7
380.12701	19.4
395.15002	76.3
396.15417	4.2
397.16568	44.0
404.12488	2.6
405.13516	7.9
409.16602	6.7
417.15329	4.5
419.15097	4.9
422.13684	8.0
425.16016	22.7
437.16019	40.8
455.17044	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	455.1716
Annotation	2-[3,5-Dimethoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
50.68946	1.1
50.69162	0.5
57.03299	0.7
59.01244	2.8
61.90442	0.3
61.98457	0.3
61.98693	3.5
62.26359	0.3
67.01751	0.5
71.01211	0.3
72.99163	0.5
73.02797	0.4
81.03333	0.6
93.03312	1.7
97.06451	0.7
99.00735	0.4
99.04346	0.8
99.14084	0.3
101.02303	0.4
107.04836	0.5
109.02813	4.8
115.00237	0.4
116.11142	0.4
118.49385	0.4
121.02798	1.5
123.00768	0.6
123.04353	0.6
124.01529	3.3
124.10880	0.5
125.02312	1.4
135.04416	1.1
136.01517	0.7
137.02325	16.4
138.02969	0.5
139.03918	2.1
143.04932	0.3
145.02853	0.6
148.01550	0.4
149.02338	1.6
149.09572	1.1
150.03073	1.4
151.03893	1.0
153.01828	2.2
158.03642	0.5
159.04387	0.9
161.02371	0.9
161.04640	0.5
161.05992	1.1
163.00296	0.6
163.03889	1.3
164.01054	0.9
165.01836	100.0
165.07062	1.2
166.02641	4.5
167.03348	1.0
171.04396	2.9
172.05148	1.2
173.02448	0.4
173.05949	2.9
175.03870	0.8
178.02554	0.9
179.03461	4.9
179.04947	0.6
179.97391	0.7
180.04199	57.9
181.04979	5.5
182.08833	0.4
184.05153	1.0
185.05965	0.6
187.03986	0.8
196.05272	0.5
198.03136	2.3
199.03903	2.3
200.04657	1.0
201.05449	0.4
204.99844	1.1
211.03947	2.5
211.07718	0.4
212.04742	12.0
212.08138	0.5
213.05426	0.9
214.06273	2.2
227.10701	2.9
229.05002	0.7
230.05930	0.8
239.07301	0.4
239.10678	0.4
240.07913	0.6
242.09459	1.4
243.10306	1.2
245.11839	1.4
251.07101	1.0
255.10265	75.2
256.10654	2.8
257.11835	7.5
263.07202	0.8
265.08374	0.5
271.09756	0.9
273.11337	2.1
276.63077	0.4
279.06607	1.0
291.06586	1.0
293.04581	0.9
293.08002	0.5
294.05148	0.6
295.06073	0.6
296.06860	0.5
306.05280	0.5
307.06198	2.5
307.71509	0.4
308.07001	1.0
309.07785	1.0
310.08502	0.6
319.05960	0.5
320.06955	0.5
321.07614	0.5
323.05670	0.6
332.07022	0.5
337.07117	0.7
338.07828	0.7
353.10419	0.7
363.12558	0.5
375.12302	0.5
380.12747	0.6
392.12692	1.8
395.14813	0.5
395.20639	0.4
404.12656	0.8
405.13507	0.5
407.15076	1.9
419.14951	0.6
422.13589	0.9
425.16089	4.3
437.16110	22.5
438.16354	1.5
455.11096	0.8
455.17191	14.5
456.17386	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.4
59.00975	1.7
59.01245	27.7
69.03315	2.4
69.54317	0.9
71.01240	30.0
71.54952	1.0
72.99167	28.5
73.02805	15.9
75.00715	1.7
77.12762	1.2
83.01241	6.9
85.02810	15.7
87.00738	3.7
89.02303	7.1
93.03315	4.3
94.03662	1.3
95.01246	2.1
95.90487	1.1
96.95248	2.5
96.95870	32.3
97.02795	2.4
99.00740	6.4
101.01643	2.2
101.02305	34.1
109.02818	7.3
113.02309	14.5
117.78816	1.0
119.03316	1.1
121.02851	1.9
123.04366	2.1
125.02319	4.5
129.09084	1.8
131.03365	1.5
135.04370	2.6
137.02335	1.5
137.06000	2.8
138.52080	1.4
143.03421	2.4
145.05997	1.6
147.04404	2.1
151.03900	3.4
153.01810	3.9
159.02835	1.7
161.04482	11.6
161.05873	1.6
163.03886	3.2
164.04692	1.7
165.05455	5.2
167.07028	2.2
173.04520	9.1
174.03105	3.5
174.04758	2.5
175.04919	2.2
175.11253	1.3
177.01848	3.0
187.03996	3.7
219.10254	1.6
231.10265	5.2
233.11945	1.8
241.00159	9.5
247.10179	1.5
247.13397	6.0
248.10382	3.0
249.11313	21.3
250.11642	1.5
257.04559	2.3
259.34479	1.3
261.42844	1.3
261.84528	1.4
263.15012	54.4
275.09232	3.5
293.14014	8.2
301.03546	1.9
308.98972	1.2
309.73352	1.4
323.05597	1.5
367.14133	9.4
395.19247	100.0
396.19562	4.3
411.12836	2.0
437.08762	1.4
454.91910	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.2
57.03305	1.3
58.18858	0.5
58.44988	0.6
58.99991	1.3
59.01241	87.6
59.02368	1.5
61.98672	0.8
71.01237	25.3
72.99177	1.1
73.02797	10.5
75.00742	0.8
78.94997	0.6
83.01242	6.2
85.02808	13.3
87.00743	3.2
89.02292	9.8
91.72770	1.2
95.01238	1.5
96.95856	0.8
97.02793	1.1
99.00723	3.4
101.02299	31.3
109.02820	3.0
111.00790	1.1
113.02296	12.2
114.74043	0.7
119.03352	3.5
125.02368	0.9
129.01845	0.9
137.35042	0.9
139.51680	0.7
141.09010	0.6
142.00969	0.6
143.03386	1.2
149.06018	0.7
153.01810	2.7
156.74622	2.1
159.02910	3.0
161.04448	20.3
179.03459	0.7
179.05540	0.8
217.57486	0.9
227.61832	0.6
233.15385	6.7
262.59210	0.8
293.17465	1.0
293.20807	0.7
307.07455	0.8
390.47418	0.9
395.20761	100.0
396.21140	4.8
455.17191	1.0
455.22742	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65623	0.2
54.02702	0.3
54.05450	0.2
54.91860	0.3
58.99980	1.6
59.01243	100.0
59.02334	1.4
60.01573	0.5
61.98697	1.2
62.55431	0.2
71.01244	3.2
72.99171	0.4
73.02813	1.2
73.07645	0.2
76.85051	0.3
79.03799	0.2
81.03330	0.3
83.01236	0.5
85.02814	1.4
89.02311	0.9
93.03326	0.3
96.95862	0.6
99.00743	0.6
101.02299	2.9
109.02805	0.5
113.02321	2.3
119.03367	0.6
125.02309	0.5
132.29942	0.3
143.03389	0.7
149.02353	0.7
150.03140	0.3
151.00313	1.1
153.01802	0.5
159.02902	0.5
161.04456	4.4
166.02623	4.1
181.04958	3.9
182.22583	0.3
215.14452	0.4
233.15469	0.3
390.16415	0.3
395.20782	5.3
396.21591	0.3
407.12012	0.3
409.14252	0.4
425.16599	0.4
455.06747	0.9
455.17133	0.4
455.23251	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.1
57.03322	1.4
59.00117	1.5
59.01242	80.6
59.02460	1.3
61.98689	7.6
71.01240	29.8
72.99168	1.6
73.02800	11.5
77.84811	0.8
83.01247	7.9
85.02802	14.3
87.00732	1.9
89.02290	11.8
91.42330	0.8
93.03330	1.7
95.01224	1.5
96.95866	0.8
98.68163	1.0
99.00732	3.6
99.95860	0.8
101.02303	38.3
109.02802	7.0
111.00745	1.2
113.02312	12.4
119.03373	4.6
121.02792	0.9
125.02334	1.4
129.01796	1.6
143.03308	1.7
151.97940	0.8
153.01826	12.3
156.74634	1.0
159.02904	3.8
159.77754	0.9
161.04445	16.9
161.05797	1.6
179.05428	1.0
213.95451	1.0
224.58632	0.9
233.15440	5.7
287.16525	2.8
290.62558	0.9
293.17468	1.9
331.15524	2.6
366.99194	1.0
370.22656	1.0
395.20758	100.0
396.20932	4.3
455.16980	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	455.229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62274	0.2
57.34643	0.3
59.00201	1.2
59.01242	100.0
59.02462	1.8
61.98690	0.5
63.14534	0.4
63.14885	0.3
70.65909	0.3
71.01241	4.1
72.99178	0.8
73.02808	0.9
83.01244	0.4
85.02824	1.8
89.02319	1.0
91.33759	0.3
96.95904	0.8
99.00739	0.7
101.02319	2.9
109.02834	0.5
113.02315	2.8
118.58439	0.4
119.03372	0.4
123.04436	0.3
125.02351	0.9
128.37952	0.3
129.81622	0.3
130.93263	0.4
136.51816	0.3
149.02361	0.6
151.00282	1.2
156.74583	0.3
159.02946	0.6
161.04462	4.8
165.05455	0.4
166.02612	4.7
166.03888	0.5
175.42735	0.3
181.04993	4.3
273.00858	0.5
293.14163	0.4
299.22382	0.3
352.15042	0.6
367.13840	0.6
395.13422	0.5
395.15924	0.6
395.20779	5.0
407.11740	0.5
424.57394	0.4
435.19522	0.3
455.06705	0.7
455.17184	0.4
455.23145	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26060	0.8
59.01223	0.8
78.95764	6.6
79.22314	0.9
97.06432	1.8
99.52190	1.0
105.28444	1.0
133.02864	2.3
138.03131	1.6
139.03922	1.8
140.12526	1.1
144.05669	1.3
147.85750	0.9
149.02338	2.4
150.03229	1.1
152.01060	1.2
152.99471	15.0
161.06001	2.0
165.01743	1.1
166.02628	12.5
166.03928	1.7
167.03415	6.1
167.10706	1.3
171.00484	2.0
172.73222	1.0
174.22346	1.0
177.01823	1.7
181.04997	12.9
195.34618	1.2
211.06075	9.0
211.09726	2.0
217.12282	20.4
227.03256	2.4
227.20123	100.0
228.20544	2.9
243.10243	2.2
245.04163	1.4
261.11368	4.4
297.15207	1.3
409.16864	1.1
449.23474	1.2
455.24231	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	455.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73191	1.3
59.01249	1.6
75.22628	1.4
91.17047	2.0
96.95880	3.7
105.03337	1.6
121.02794	2.1
133.02838	11.2
134.03613	100.0
135.04393	15.6
137.02287	11.5
139.03883	4.6
147.98830	1.6
150.03168	2.2
152.01065	2.4
178.02640	77.8
179.03181	2.1
181.82570	1.9
241.12239	1.6
271.64398	2.1
345.33887	1.8
373.27597	4.4
389.48752	2.0
397.22635	5.6
411.25443	5.3
455.24457	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	455.2442
Annotation	Lucidenic acid F
Peak:m/z	Relative Intensity
54.24257	1.9
55.60730	1.5
59.01241	5.0
71.26772	1.7
71.28465	2.1
105.03310	4.2
133.02843	36.0
134.03610	83.5
135.04410	28.4
137.02341	22.7
139.03874	8.9
150.03127	3.4
159.78889	2.1
177.01854	5.7
178.02637	100.0
179.03352	8.7
183.01178	2.1
199.16934	2.4
307.94736	2.4
329.28653	2.3
373.27740	3.1
397.22821	3.6
411.25421	13.7
455.24448	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32204	1.8
56.73469	1.9
57.35061	1.5
59.01240	16.4
61.98683	2.1
69.03282	1.8
71.01237	16.6
71.02563	1.9
72.98783	3.9
72.99162	42.2
73.02760	2.5
75.00731	27.7
83.01246	2.4
83.04866	10.0
84.91956	1.7
85.02827	2.8
87.00729	10.6
87.04359	2.8
89.02299	9.5
93.03331	2.7
95.01288	2.5
96.95889	16.5
99.00725	2.7
99.04382	2.5
101.02311	8.5
105.03330	3.7
107.04888	3.6
109.02810	4.7
113.02307	3.7
114.05476	2.2
115.00236	28.4
115.03883	4.4
119.04901	3.7
121.02818	5.9
122.03611	2.7
123.04391	2.6
125.02299	5.9
127.00250	10.9
128.03380	3.1
133.02832	7.1
135.02875	20.0
135.04413	7.4
145.02852	3.2
147.04379	3.2
149.02322	8.6
150.03082	3.2
151.03943	5.0
152.07127	2.2
157.01382	4.0
161.02338	4.8
161.04527	3.5
162.03125	3.0
163.03917	9.9
166.08525	2.4
175.02403	26.5
175.03778	4.2
177.01860	19.9
189.01866	3.3
191.03444	8.4
193.01389	23.5
203.03510	2.9
203.10641	6.3
205.01343	15.9
206.02168	8.0
207.02913	28.0
217.01338	5.6
219.02940	72.2
223.09789	3.2
226.15573	2.6
233.00885	96.0
233.04404	3.7
235.02415	19.2
245.00935	5.3
247.02458	16.7
249.00368	7.1
249.04091	13.1
251.12941	5.0
263.01971	100.0
265.03458	15.3
275.02026	3.1
277.03513	20.1
293.03033	32.0
295.04611	10.5
301.03568	4.9
304.33023	2.2
307.01007	25.2
317.02991	3.4
319.04483	4.7
321.02405	5.0
323.03909	3.1
325.09238	4.2
333.02551	9.2
337.02017	12.7
363.03595	3.7
365.01434	4.6
367.13651	3.0
377.01401	2.3
381.04572	2.9
395.13535	9.4
397.04108	5.1
397.17142	8.7
401.14343	3.6
407.02609	7.9
413.14789	2.6
421.20758	5.3
425.03616	24.8
457.06177	4.8
457.13184	2.6
457.18356	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	457.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	1.9
65.88937	0.6
67.01739	0.7
69.03309	2.7
71.01237	2.9
72.99165	40.8
75.65266	0.6
77.37527	0.6
79.54769	0.5
81.03279	0.8
83.04869	0.7
84.02065	0.9
85.02791	1.1
91.87178	0.6
93.03322	2.3
96.95865	9.8
98.89684	0.6
99.08012	1.9
100.09217	0.6
101.02295	1.4
101.43155	0.6
104.06207	0.8
107.04885	3.4
109.02827	2.1
111.04383	1.1
113.02295	2.2
115.00277	0.7
119.04866	0.9
121.02804	2.0
121.06465	1.8
121.10129	0.7
123.04350	3.5
125.02303	4.9
125.09579	1.5
127.07584	0.8
129.09076	1.4
135.04396	7.8
135.08037	0.7
137.02351	1.5
137.05969	2.3
137.09708	0.7
139.03850	1.2
141.09138	1.2
145.02802	0.8
145.06346	0.6
146.03542	0.6
147.04424	2.2
148.01425	0.7
149.02371	0.8
149.05960	11.1
149.09627	1.1
151.03914	4.1
151.07515	1.1
153.01840	2.0
153.05408	0.8
153.09106	1.5
157.06520	0.8
158.07307	1.7
161.02377	1.0
161.05923	0.8
163.03944	2.4
165.01773	1.0
165.05510	2.3
167.03334	1.3
169.04956	1.1
169.08627	2.4
171.04469	1.3
172.05222	0.7
173.02307	1.3
173.04550	1.1
173.06018	1.5
174.06781	2.3
175.03934	1.2
177.01874	1.8
177.05478	1.9
177.09073	0.9
179.03423	10.3
184.05211	0.9
185.06013	1.2
186.06802	3.2
187.02417	0.8
187.04007	1.5
188.04674	0.8
188.67894	0.7
189.09175	1.1
189.12787	1.3
190.06160	0.7
191.03455	1.6
191.07144	0.9
193.01288	0.7
193.04921	1.3
195.06662	0.7
196.15398	0.6
197.08167	0.8
201.05504	2.4
201.12781	1.0
202.06300	4.3
203.03476	0.7
203.06934	0.8
203.14386	0.9
208.05788	1.1
213.05481	1.3
213.12831	2.0
214.06342	2.6
215.03485	1.0
215.14333	2.9
217.12315	4.2
219.06584	0.8
219.13898	1.9
220.07422	2.5
225.12909	0.9
230.05833	2.5
231.13898	5.1
233.15388	1.1
241.12347	1.8
243.13893	7.1
246.05539	0.8
249.14926	5.3
258.05280	0.8
259.13361	8.3
260.13861	0.8
261.15036	2.3
269.11816	3.2
271.13467	3.5
277.11526	1.1
277.14441	7.8
283.15564	0.7
287.12906	5.4
289.14307	1.3
293.13895	0.9
303.12476	1.3
305.06592	3.0
305.13821	1.8
313.10843	0.9
315.12460	1.6
321.13391	3.9
331.11789	0.9
333.13464	1.9
349.12878	2.6
351.01721	0.9
351.14590	0.8
365.12567	1.0
371.64017	0.7
377.12592	3.1
395.13513	17.6
421.11429	21.7
422.11960	1.4
439.12473	100.0
440.12732	5.1
457.13000	22.8
458.13644	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.2
61.69438	1.0
62.68754	1.2
67.01773	1.7
69.03307	10.7
71.01247	2.3
72.97405	1.7
72.99167	100.0
83.04890	1.6
83.05379	1.1
86.13553	1.1
95.04927	2.2
99.08029	7.6
107.04939	4.5
109.02890	1.7
109.06473	2.0
113.02319	12.7
119.04944	2.8
121.02856	5.8
121.06457	2.4
121.12729	1.3
122.03595	2.9
123.04369	10.4
124.01704	1.5
125.02356	3.5
125.05985	2.9
125.09617	3.6
127.07537	2.7
129.09128	4.1
135.04398	28.2
137.02368	1.8
137.05977	12.2
139.07526	1.4
141.01817	9.6
141.09108	3.0
145.02516	1.2
147.04420	11.3
149.02469	1.8
149.06050	4.5
150.03143	1.9
151.03905	12.7
151.07529	2.1
153.01857	1.6
153.05458	10.1
153.09146	5.6
159.04413	1.7
161.02524	1.5
163.04008	4.7
164.04723	1.8
165.05466	14.9
167.03577	1.2
167.07118	3.2
169.08676	4.7
171.04475	1.9
173.05954	2.4
174.06734	2.1
175.04022	2.3
177.02081	1.3
177.05502	4.2
179.03381	14.4
185.00830	7.9
185.06099	1.6
186.06865	4.6
187.03969	4.4
188.04765	1.6
189.05496	2.1
191.03584	1.6
197.08214	3.6
201.05641	3.2
202.06267	8.5
203.14349	2.3
205.05069	3.4
212.04785	2.2
213.05595	1.8
213.12886	1.4
214.06270	10.4
214.10031	1.7
215.07271	1.8
215.14471	4.8
217.12415	4.5
220.07404	1.9
221.15645	1.9
227.14534	1.7
229.12486	2.3
230.05928	4.8
231.13953	3.6
233.15532	3.3
235.09758	2.5
241.12434	5.2
243.13898	16.1
247.13313	2.4
259.13400	20.9
261.15149	3.9
269.11932	5.6
271.13428	20.6
277.14520	6.0
285.11438	2.2
287.12881	25.1
289.14496	7.1
293.14038	1.5
303.12332	2.6
305.14075	10.7
313.11047	4.0
315.12415	13.8
321.13486	9.9
331.11990	8.2
333.13464	14.2
349.12921	65.7
350.13147	2.0
359.11594	2.4
365.12491	3.1
377.12476	35.4
383.13464	3.3
395.13507	27.5
421.11591	4.8
439.12430	20.6
457.13553	34.6
457.19528	2.2
473.17950	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	457.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	17.6
59.01242	64.5
67.01742	6.3
68.99665	1.9
69.03309	14.5
71.01234	33.4
71.04879	9.4
72.99166	100.0
73.02806	4.6
76.33250	2.1
79.67546	2.2
83.01237	2.8
83.04898	6.2
85.02805	12.3
87.00728	9.7
89.02292	32.3
93.03299	11.4
95.01207	3.2
95.04876	4.5
96.95858	10.4
97.02811	6.3
97.06447	3.5
98.95435	3.0
99.00723	2.4
99.04364	2.8
99.08022	9.3
101.02303	51.5
107.04887	7.4
108.02047	3.6
109.02818	8.7
111.04366	4.2
113.02283	10.3
119.03358	20.7
119.04888	3.1
121.02843	9.5
121.06443	2.7
122.03620	3.3
123.04414	14.6
124.01495	2.3
125.02334	8.2
125.06016	2.8
125.09566	5.1
129.09090	2.9
131.03366	2.2
133.02858	3.3
133.06572	2.4
134.03633	2.4
135.04398	38.4
135.07986	3.6
137.02367	4.5
137.05939	12.8
137.09612	3.7
139.03934	2.6
141.09052	4.7
142.42166	1.9
143.03363	2.8
145.06491	3.0
147.04404	18.3
149.02312	5.8
149.05988	6.6
149.09621	8.2
151.03889	22.0
151.07550	3.3
153.01830	2.8
153.05487	9.3
153.09119	8.4
153.61534	2.4
159.04384	5.1
160.05280	3.2
161.02333	2.8
161.05991	3.6
162.06830	2.7
163.03922	8.4
164.04610	2.8
165.05470	14.5
165.09210	3.0
167.07024	7.0
169.04987	4.1
169.08601	14.5
171.04483	3.3
173.04471	26.0
173.05977	6.2
173.13148	2.3
175.04004	3.7
175.07545	4.5
177.01860	3.8
177.05489	3.8
179.03423	37.0
179.05096	3.0
179.05544	2.2
179.10674	2.9
185.06018	4.3
186.06865	6.5
187.03964	7.5
189.05501	5.8
197.08171	8.6
201.05524	7.5
202.06227	13.9
205.05008	3.1
213.05463	3.0
214.06352	9.3
214.09999	2.3
215.03371	2.7
215.10730	3.0
215.14415	6.4
217.04880	3.4
217.12354	8.4
225.09164	4.1
229.05066	3.1
230.05731	13.9
231.13899	5.9
233.15463	5.8
241.12350	6.7
243.13902	14.1
246.05400	2.9
259.13388	33.4
261.14911	6.5
262.04852	2.4
269.11917	8.8
271.13394	19.8
275.12839	2.7
277.14359	8.0
283.15485	10.0
287.12897	66.3
287.15991	4.6
289.14511	6.7
293.13824	2.7
303.12210	3.7
305.13983	28.8
313.10822	4.9
315.12357	6.9
321.13431	11.0
331.11972	7.1
333.13504	8.5
339.14548	4.0
349.12952	90.5
350.13254	4.2
377.12421	13.7
383.13541	15.7
393.11993	3.3
395.13510	71.2
421.11606	7.4
439.12457	51.8
457.13339	59.1
457.17825	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.8
59.01247	2.5
61.98670	0.3
67.01756	0.6
68.99683	0.3
69.03316	2.3
71.01242	1.5
71.04887	0.6
72.97489	1.6
72.99167	100.0
73.00621	1.1
73.02808	2.7
73.99492	0.6
74.62027	0.3
75.00726	1.1
81.03306	0.9
82.30637	0.3
83.01240	0.6
83.04893	0.5
84.02029	0.5
85.02806	2.1
87.00746	1.0
87.04373	8.0
87.04874	0.8
89.02315	0.8
93.03327	2.6
95.01285	0.5
96.95877	1.9
97.02828	3.9
99.04352	2.6
99.08037	1.1
100.98684	0.8
101.02328	2.5
106.04095	0.4
109.02842	1.1
109.06396	0.5
111.00772	0.8
111.04392	1.1
113.02309	5.9
115.03877	8.1
116.04204	0.4
119.03304	0.5
119.04944	0.4
121.02828	1.2
121.10098	0.7
122.03619	1.2
123.00784	0.9
123.04411	1.0
123.08024	0.4
124.01521	0.4
125.02316	14.2
125.03243	0.7
125.09649	0.5
127.03880	1.0
127.07526	0.6
129.09102	3.2
131.03371	0.9
133.06482	0.4
135.04431	1.1
136.01624	0.6
137.02354	2.3
137.09570	0.6
138.03145	1.0
140.04669	1.2
141.01816	3.2
141.09106	0.9
143.03423	1.1
146.03632	1.1
146.07294	0.5
147.04410	0.8
149.02362	0.9
149.06013	0.8
149.09605	2.4
150.03111	1.1
151.03796	0.5
151.07552	1.3
151.11214	1.3
152.04610	0.5
153.09119	0.7
155.03416	0.5
158.07220	0.4
161.02348	0.9
161.09602	0.6
162.03162	1.0
163.03908	1.2
163.11188	1.4
165.02003	0.5
165.09105	1.2
166.02660	0.6
167.10706	1.7
173.04468	5.5
173.05931	0.7
173.09741	0.4
174.06815	1.3
175.11232	0.8
177.05460	0.7
177.09128	3.5
179.10689	2.4
186.06747	0.6
187.07635	0.7
189.09157	2.5
190.02698	0.6
191.03487	0.6
191.10735	3.1
193.08691	1.4
195.10197	6.5
197.11832	0.9
201.05498	0.6
201.09119	0.7
202.06342	1.1
203.10760	1.4
203.14375	1.2
205.08635	2.4
205.12270	0.6
207.10226	2.7
215.14438	0.6
217.08925	0.4
218.05872	0.8
219.10265	2.9
219.13832	0.7
221.11644	0.5
223.09723	5.6
225.11266	1.9
229.85178	0.8
230.09544	0.5
231.10318	0.9
231.13864	3.1
232.14316	0.5
233.08177	0.4
233.11890	0.6
235.09749	1.2
237.11336	0.8
241.00278	0.7
241.10703	4.6
243.13919	0.7
247.09798	0.7
247.13370	1.0
248.10359	0.6
249.11452	1.2
249.15054	0.9
251.09306	1.4
253.10936	0.6
257.11783	0.8
259.13452	3.6
265.10822	1.0
265.14716	0.8
269.10464	0.8
275.09961	0.7
275.12988	2.0
277.11429	0.5
277.14426	2.6
281.10440	0.7
283.15469	0.6
287.12943	1.2
291.12457	0.6
293.10983	0.5
293.13840	2.4
295.08054	0.5
297.09601	2.2
303.12442	2.1
305.13953	1.1
306.45538	0.4
309.13547	0.7
321.13507	4.6
325.09332	9.1
326.09613	0.4
331.11938	2.5
331.15524	0.4
339.14563	2.3
349.13052	3.1
351.14603	1.4
355.10660	0.6
357.15668	1.5
365.12442	2.0
367.13852	2.8
377.12341	0.6
383.13516	32.7
384.14020	1.3
385.15210	1.1
395.13507	20.3
396.14352	0.5
411.13184	1.9
413.14545	6.4
429.14624	0.5
439.12604	3.3
457.13437	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	457.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36243	0.7
58.00478	0.8
59.01236	3.3
67.01742	2.1
68.99668	0.9
69.03309	5.6
70.52732	0.8
71.01237	4.1
72.44681	0.8
72.97598	1.6
72.99165	87.8
73.00914	1.6
75.00734	1.6
78.29306	0.8
80.02528	1.4
81.03318	1.2
83.04871	3.1
84.02026	2.7
87.00729	1.7
89.02258	0.9
91.05375	1.0
91.72771	1.3
93.03316	3.2
95.04871	2.5
96.95870	5.7
97.02807	2.6
97.06438	2.2
99.04372	2.8
99.08018	8.2
105.03342	1.0
106.99174	0.8
107.04876	7.9
108.02045	1.8
109.02810	2.0
109.06448	3.0
111.04384	1.8
112.01574	1.1
113.02313	1.1
113.67588	0.8
114.03183	0.9
119.04888	4.9
120.20841	0.9
120.79581	0.9
121.02811	5.0
121.06454	2.0
121.10116	1.6
122.03605	3.8
123.04389	19.9
124.01503	1.3
125.02307	4.4
125.05933	6.2
125.09596	2.3
127.07516	5.0
129.09079	9.1
131.04832	1.0
135.04404	23.2
135.08012	1.0
136.01567	1.9
137.02306	1.7
137.04951	1.7
137.05956	22.7
137.09547	1.6
139.03883	2.6
139.07524	3.9
141.09161	4.2
145.02899	0.9
147.04396	5.1
149.02365	1.3
149.05984	7.8
149.09625	1.7
150.03111	0.9
151.03900	26.4
151.07556	2.5
153.01840	2.1
153.05458	23.7
153.09065	5.9
154.55626	0.9
157.06537	1.0
158.07297	1.0
159.04407	3.0
161.02390	1.3
161.05969	2.4
162.03136	1.1
162.06779	2.0
163.03862	5.8
164.04720	1.0
165.05466	21.0
165.09087	1.4
166.06163	0.9
167.03383	1.3
167.07028	5.0
169.04950	1.2
169.08601	4.9
171.04349	1.4
171.10213	2.1
173.02432	1.8
173.06047	2.6
174.06764	3.5
175.03932	2.0
177.01808	1.0
177.05466	5.4
177.26833	0.9
178.06265	1.6
179.03432	13.4
179.10472	1.1
181.08647	1.9
184.05283	1.3
185.05981	1.7
186.06779	3.3
186.08783	0.9
187.03915	3.2
188.04678	1.4
189.05486	2.5
189.09103	1.0
189.12698	1.3
191.03455	2.8
191.07184	0.9
193.04977	3.2
197.08131	3.4
200.04709	1.7
201.05493	3.4
201.09103	1.3
202.06299	9.4
202.47554	1.5
203.10741	1.2
203.14336	2.7
204.07784	1.0
205.05048	1.2
205.12250	2.1
205.15985	1.2
207.02954	1.0
212.04678	1.0
213.05498	2.0
213.12886	2.7
214.06314	5.5
215.03532	1.1
215.14394	3.3
217.04968	1.6
217.12341	3.6
219.10304	2.0
219.13908	2.7
220.07384	4.2
221.15445	2.4
223.09819	1.6
225.12920	1.7
229.05138	1.0
229.12221	1.3
230.05795	4.4
231.13878	6.8
232.07410	1.3
233.11978	1.0
233.15460	2.5
235.13460	1.5
241.12383	3.0
243.13878	11.3
245.11885	2.7
247.13385	3.3
249.14886	5.3
250.39317	1.1
257.11835	1.8
258.05243	1.3
259.13376	20.4
261.12323	1.0
261.14877	4.2
269.11877	5.4
271.13452	13.3
275.12921	1.8
277.14417	10.2
285.11435	1.6
287.12924	20.6
288.13165	1.4
289.14499	3.8
293.14200	2.2
295.15500	5.1
297.11371	1.2
303.12338	1.9
305.06494	1.1
305.13943	7.5
313.10864	3.1
315.12396	11.4
319.41544	0.9
321.13434	35.5
322.13684	1.3
331.11990	3.6
333.13419	15.7
334.13489	1.3
339.14438	2.6
349.12952	53.1
350.13275	2.5
351.14539	2.0
359.11307	3.7
365.12485	10.3
367.14041	1.6
377.12424	28.4
378.13214	1.1
383.13513	6.6
393.12003	1.1
395.13495	21.3
413.14514	1.6
421.11639	1.8
439.12491	18.8
457.13577	100.0
458.13654	4.6
475.02069	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94349	0.4
53.41600	0.4
55.01743	0.5
55.54551	0.5
57.03316	2.0
57.11584	0.4
59.00970	0.7
59.01244	10.3
60.39494	0.7
65.13374	0.5
65.70324	0.5
69.03325	2.6
71.01236	10.7
73.02808	2.6
74.51160	0.5
83.01244	1.5
83.04877	26.8
83.06728	0.6
84.05209	0.5
85.02802	4.5
87.00736	12.8
89.02306	5.3
93.03316	1.8
96.00770	0.5
99.00748	1.3
100.03877	0.6
101.02311	7.1
103.44957	0.6
107.04880	2.0
109.06453	5.0
113.02303	5.9
114.05443	0.8
119.03365	1.7
119.04856	1.1
125.02310	0.7
145.04900	0.7
145.59653	0.5
149.05965	100.0
150.06306	1.8
159.02921	1.1
161.04443	11.2
187.03578	0.7
189.09154	0.8
189.12787	1.5
207.10204	10.2
215.10704	2.5
233.11797	57.8
234.12154	2.5
277.10687	1.2
311.11472	1.0
316.35666	0.5
339.66678	0.6
369.15521	1.4
395.17166	5.3
396.56543	0.6
439.16162	0.7
457.17200	30.8
458.17636	1.8
470.42902	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36065	0.3
57.03318	1.0
58.00463	1.5
59.00009	1.0
59.01243	63.2
61.97223	0.3
67.01756	0.5
68.04086	0.3
69.03311	7.2
70.99628	1.0
71.01241	67.2
71.04898	0.4
72.01605	0.6
72.99173	2.7
73.02810	10.9
75.00732	3.0
81.03314	4.9
83.01240	5.2
83.04906	0.4
85.02807	7.8
85.03303	0.5
87.00735	1.4
89.00018	1.5
89.02299	100.0
89.04286	1.1
90.02637	0.9
95.01266	1.8
96.02028	0.5
97.02810	13.8
99.00740	15.9
99.04372	3.0
101.02305	14.6
107.01241	0.5
109.02835	1.8
111.00737	2.1
113.02298	6.9
115.03873	7.7
119.03395	2.2
121.02840	0.7
124.98538	0.6
125.02317	45.0
126.02691	1.0
127.03878	1.6
131.03371	11.4
139.03818	0.3
143.03366	3.5
145.05058	0.4
147.04390	1.1
148.00360	0.8
148.05188	67.4
149.04454	13.7
149.05545	1.1
161.04454	1.9
163.07547	19.5
173.04471	1.2
175.06038	0.8
183.66180	0.3
191.05544	7.8
203.75815	0.4
215.05623	0.9
233.06642	37.3
234.07028	0.5
237.05588	0.5
253.05107	1.0
255.06667	1.1
293.08795	27.5
294.09241	1.1
352.59860	0.4
377.10236	2.2
403.08673	0.4
434.19730	0.4
457.18546	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03805	0.5
54.17320	0.3
54.88129	0.3
59.01242	2.3
63.75426	0.3
72.99163	0.8
75.69503	0.3
82.51310	0.3
108.02031	0.6
109.02810	1.5
122.03604	0.6
123.00709	0.9
123.04391	10.0
123.97797	1.2
124.01531	100.0
125.01890	1.0
135.04405	1.4
136.05171	1.5
137.02312	0.9
138.99446	0.9
139.03889	85.0
140.04211	0.9
145.02930	0.6
146.03572	0.5
150.03122	0.8
151.03902	0.7
153.01845	1.1
160.01563	0.4
161.05937	1.4
162.06770	0.6
162.17761	0.4
163.07556	0.5
169.68140	0.4
173.06018	2.2
174.03105	1.2
174.06735	1.9
174.99236	0.7
175.03902	1.1
177.01810	0.4
178.02643	0.8
179.03413	0.8
180.04221	0.6
187.03908	0.7
188.04720	0.4
189.05527	0.8
192.07916	0.5
193.04930	0.6
195.06558	0.6
202.06288	2.8
202.09941	1.5
213.05527	0.4
214.06367	0.8
215.07094	1.7
217.00331	1.9
217.12280	8.4
223.07709	0.6
225.09149	0.6
227.07062	0.4
229.08765	0.4
229.12332	1.0
230.09537	0.8
233.11865	0.4
237.05481	0.8
238.06386	1.0
241.08693	1.0
242.09482	1.7
245.01472	0.9
245.11815	78.9
246.12061	2.1
247.13228	0.4
249.49667	0.3
251.07224	0.9
252.07889	0.4
253.08546	0.6
257.11835	16.1
258.09021	0.7
258.12238	0.8
259.09634	0.7
259.13373	0.8
265.05005	1.1
266.05872	0.6
267.06714	0.5
273.11545	0.5
279.06656	1.3
280.07251	0.8
281.08191	3.8
283.06100	2.4
295.06033	0.6
297.07733	4.3
298.08414	2.0
303.06604	0.5
307.06201	0.5
309.07660	1.1
310.08481	0.5
313.10822	1.5
321.07718	0.7
322.08246	0.5
337.10873	0.5
365.13974	3.7
374.99228	1.0
393.13632	0.6
397.16586	65.1
398.16830	3.8
406.14249	1.1
409.16510	2.3
421.11566	0.8
421.16763	1.2
457.18723	5.0
458.19028	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2362
Annotation	[(1R)-1-(hydroxymethyl)-2-phosphonooxy-ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Peak:m/z	Relative Intensity
51.38654	0.1
57.19204	0.2
59.01234	0.2
59.17128	0.4
60.63143	0.2
69.39091	0.2
71.06661	0.2
78.93938	0.8
78.95760	46.8
84.58862	0.2
96.96817	6.3
150.97919	1.7
152.94623	1.3
152.99474	100.0
153.99815	0.7
171.00551	4.7
223.81348	0.2
301.15891	0.3
303.23157	0.6
457.23587	6.4
458.24527	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2362
Annotation	[(1R)-1-(hydroxymethyl)-2-phosphonooxy-ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Peak:m/z	Relative Intensity
50.08017	0.2
57.94015	0.2
59.01237	0.5
59.17136	0.5
62.96274	0.3
65.87921	0.2
67.08965	0.2
68.57076	0.2
68.96464	0.2
78.93723	0.6
78.95762	58.0
78.97572	1.0
90.43923	0.2
96.96828	5.5
103.46871	0.2
150.97905	1.7
152.93935	0.8
152.99477	100.0
153.04355	1.2
153.99876	0.3
171.00558	3.2
248.91158	0.3
271.95184	0.2
289.35718	0.2
303.23318	0.8
308.54550	0.2
316.54486	0.2
413.86261	0.3
457.23618	12.7
481.89252	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61594	0.2
58.46859	0.1
59.01253	0.9
59.17149	0.5
66.16375	0.2
78.93798	0.9
78.95759	59.6
78.97461	0.8
96.96818	5.9
103.47518	0.2
116.97842	0.2
132.37021	0.2
142.93726	0.2
150.97928	1.5
152.94173	1.0
152.99472	100.0
153.99840	0.6
165.58492	0.2
171.00536	3.0
303.23193	0.9
457.23627	10.8
458.24249	0.4
472.30618	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	457.281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48560	0.4
52.20315	0.4
59.01244	11.5
71.01237	7.4
72.99171	0.5
73.02794	0.5
78.95750	1.0
81.03309	0.4
85.02816	0.9
87.00735	2.1
89.02297	12.0
91.72783	0.6
93.03331	0.5
101.02312	1.7
107.04887	6.2
113.02293	2.5
119.03358	1.5
119.04930	0.9
121.02813	0.7
127.65615	0.5
131.03459	0.8
141.01660	1.0
143.03358	0.6
152.06834	0.5
152.99469	1.5
161.04494	2.5
161.05885	0.5
179.05527	10.4
189.50658	0.5
259.20609	0.7
277.21735	100.0
278.22003	3.5
359.21985	2.0
369.27975	1.2
389.26733	0.7
395.29395	1.2
413.30435	2.0
457.23633	1.0
457.29581	13.0
458.30356	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2914
Annotation	Verdine
Peak:m/z	Relative Intensity
55.34203	0.4
59.01241	0.5
68.99680	3.0
71.01244	0.8
75.66182	0.4
78.95769	0.5
95.65611	0.4
96.98673	0.4
96.99165	2.2
97.99964	2.7
98.49554	0.4
102.69012	1.0
102.69653	0.9
106.57113	0.4
106.61828	0.4
106.67340	0.5
106.67967	0.4
113.32787	0.5
118.56784	0.4
129.05721	4.4
129.77670	0.4
129.98950	0.9
142.06494	3.6
157.05208	1.4
158.16122	0.4
161.04678	0.6
170.06056	1.1
188.07063	1.0
193.43663	0.5
199.75380	0.5
202.08627	0.5
226.91997	0.6
246.81395	0.5
300.27136	1.0
301.25586	0.6
314.28610	0.6
324.26987	18.7
325.27267	0.8
326.28625	0.6
329.28656	1.1
339.25772	1.2
340.26471	2.4
342.28073	12.1
352.26407	6.2
354.28018	4.3
356.26044	0.7
370.27527	51.9
371.27808	2.6
373.27567	1.2
374.27875	0.5
398.27014	23.1
399.27280	1.7
410.27136	0.5
458.29153	100.0
459.29434	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	459.022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12170	2.0
55.36650	2.2
58.20824	1.9
59.01249	12.9
62.00859	2.0
63.94230	2.8
71.01231	11.5
72.99168	10.3
73.02780	4.1
79.01735	2.1
85.02799	6.8
88.35685	2.7
89.02297	6.8
91.01766	3.6
91.73347	5.5
93.03307	7.3
95.04900	2.9
96.95861	26.1
97.02815	3.1
101.02325	5.2
107.01254	10.8
108.02025	7.6
109.02841	7.7
109.99992	4.7
110.00799	2.8
111.00761	5.2
111.04408	2.8
119.01270	3.2
121.02817	5.0
122.03544	3.1
123.04366	3.3
125.02305	10.2
127.39552	2.8
131.03326	3.3
133.02823	3.5
135.00757	9.9
135.04401	4.1
136.01517	15.5
137.02307	4.4
141.01976	2.5
147.04323	3.6
148.01538	16.3
149.02327	6.5
150.03113	20.3
153.01840	15.2
161.04471	5.6
163.00264	100.0
163.03873	3.2
165.01854	3.9
165.05472	18.2
167.03421	8.6
167.04880	2.9
173.02312	4.1
173.06001	5.2
176.01099	6.6
177.01865	21.5
177.98949	4.5
178.99818	13.8
181.04764	3.2
182.03651	5.1
183.04437	3.2
188.01927	3.6
189.01820	3.8
190.99776	54.4
192.00580	57.4
193.01361	7.6
194.03679	3.1
195.04578	3.7
195.06416	4.1
198.03232	3.3
203.58432	2.8
205.01231	4.5
206.02184	9.3
207.02979	30.2
210.03178	6.4
211.04001	6.7
212.04721	6.1
214.02678	5.8
217.01407	7.7
223.03969	6.5
224.04733	4.0
227.03326	4.5
234.98799	39.8
235.08244	7.9
235.99377	4.0
238.02701	9.9
239.03482	7.2
240.00728	3.6
240.04161	7.2
250.01071	7.5
250.03166	4.5
251.01682	22.0
253.01393	3.5
254.02173	3.1
255.02792	3.3
256.03763	8.4
266.02222	11.9
267.02942	16.7
268.03796	6.7
281.04382	3.8
282.01730	3.8
283.02591	4.7
283.06024	3.8
284.03311	10.4
293.01083	3.9
293.08746	3.6
294.02127	18.4
295.02542	17.6
309.04102	11.4
310.01349	5.6
311.01978	5.3
312.02859	14.6
325.03607	7.1
327.05222	13.8
335.01971	5.3
338.00674	5.5
339.01456	14.0
353.03003	45.4
356.01581	20.3
369.02524	8.4
371.04004	35.9
397.02029	45.4
415.03149	5.0
458.13940	7.2
459.02100	7.1
459.13040	7.4
459.18903	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	459.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24115	0.4
52.43808	1.0
53.43414	0.4
53.56777	0.5
57.03317	2.4
58.48367	0.5
69.03326	0.8
75.59329	0.4
76.80890	0.5
81.03316	2.0
83.01265	2.5
93.03314	1.3
95.01258	1.0
95.04877	1.9
97.02769	2.5
107.04871	0.4
108.02014	3.1
108.99670	1.0
109.02811	78.7
110.03131	1.5
111.04394	5.2
121.02804	1.3
123.00745	4.1
123.04381	1.1
124.01516	1.9
125.02312	61.4
126.02676	1.0
135.04367	1.2
137.02322	20.2
138.03073	0.7
139.03883	13.3
149.02335	0.7
149.05968	1.1
151.03894	1.6
153.01822	78.1
154.02174	1.9
155.03348	0.6
159.04407	1.0
161.02357	2.6
164.01067	4.5
165.01836	13.7
166.02525	1.3
167.03404	14.5
173.05966	0.5
175.03914	1.7
175.07698	0.5
177.01915	1.0
177.05487	3.8
178.02596	0.6
179.01884	1.1
179.03413	13.4
191.07074	1.9
201.05559	1.3
203.03394	2.1
204.04269	2.4
213.13380	0.5
214.22806	0.5
218.05690	0.7
219.06586	10.8
220.06882	0.8
221.04517	5.3
222.05017	0.7
243.06653	1.4
261.07654	3.7
286.12445	0.6
305.06677	100.0
306.07059	5.3
403.04236	0.6
470.83127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16371	0.7
56.83270	0.7
58.45007	0.8
59.01254	1.4
60.56252	0.8
69.03331	1.6
72.99174	12.7
83.04903	1.1
83.12361	0.8
99.04408	2.3
99.07992	1.2
113.02354	2.7
115.03921	2.1
125.02335	1.9
127.03900	4.7
137.06039	1.8
140.04704	1.2
149.06046	3.1
149.09569	5.1
151.07382	1.1
158.07268	1.9
161.06013	1.1
163.11230	1.7
171.04431	1.7
172.05267	1.4
175.07684	1.1
179.10747	2.1
186.06789	7.3
197.11879	1.4
199.14854	1.5
205.16028	2.1
210.47960	1.2
214.10028	1.7
215.14368	11.1
225.11159	1.5
225.13084	1.7
228.11713	1.4
231.10376	1.7
231.14012	1.0
232.11209	1.2
233.15471	6.9
241.72267	1.1
243.13902	17.7
259.13501	1.5
261.14966	8.7
267.08478	1.1
277.11157	1.1
277.14536	2.7
279.16077	2.7
287.12909	29.2
299.13522	1.1
305.13968	8.6
323.15237	1.5
331.12036	3.3
349.12973	20.3
367.13998	100.0
368.14529	5.4
395.13260	6.1
423.13013	43.7
424.13486	2.9
459.11032	3.3
459.18164	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	459.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94537	0.5
55.71920	0.5
57.03307	1.6
63.57274	0.5
69.03312	6.5
71.04874	1.2
72.99168	17.4
73.02808	2.4
85.02807	2.1
97.02808	9.8
98.40946	0.7
98.41483	0.6
113.02304	51.5
125.02311	53.1
125.05764	0.8
141.01817	6.3
143.03375	1.0
147.04430	0.7
149.05952	1.2
151.11153	1.2
165.05492	0.7
169.90585	0.7
174.03203	0.9
175.03928	1.7
179.10725	2.6
181.12195	0.7
203.70514	0.7
204.11542	1.5
209.04584	0.8
215.14442	0.9
231.10210	1.7
232.11008	3.0
233.15382	1.2
243.13898	2.0
253.10971	0.8
259.86893	0.6
261.15079	3.4
263.12772	0.9
277.14508	1.0
287.13000	1.9
305.13885	1.7
307.11847	1.4
334.27280	0.7
349.12949	5.5
351.14520	0.9
367.13995	100.0
368.14313	6.0
369.51785	0.7
395.13449	11.1
405.11496	0.7
423.13013	38.8
424.13211	4.0
459.10703	1.0
463.98395	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81059	0.5
53.94301	0.5
56.37978	0.5
56.72782	0.6
57.03315	0.9
59.01242	8.4
59.67944	0.5
64.83701	0.5
66.08773	0.5
69.03304	1.7
71.01246	2.7
71.04869	3.9
71.85719	0.5
72.99168	7.7
73.02797	1.6
75.81830	0.6
79.35897	0.6
81.03306	1.0
83.01256	1.2
83.04885	2.2
85.02799	1.0
89.02292	2.5
93.03336	2.1
95.01260	1.1
95.04893	1.2
96.95869	11.7
96.96832	1.2
97.02808	2.1
98.40966	1.4
98.41512	0.9
99.04382	3.1
101.02322	1.5
107.04958	0.8
109.02824	4.0
111.04366	3.6
111.07983	0.8
113.02329	1.2
115.03895	2.4
119.03389	0.8
121.02851	1.8
121.06473	0.9
122.03699	1.2
123.00764	2.6
123.04416	1.8
124.01559	3.2
125.02314	10.9
127.03887	2.7
130.04259	0.6
133.02837	0.9
135.04379	0.9
135.08051	1.6
137.02359	5.6
137.09689	1.0
138.03107	1.4
139.03915	4.9
145.06438	0.7
147.04388	1.2
147.07979	0.7
148.05223	1.3
149.02365	1.7
149.05956	2.9
149.09685	1.0
151.03815	1.0
151.07576	2.9
152.01001	0.6
153.01868	0.7
153.05486	0.6
158.03706	0.8
158.07323	0.9
159.04485	1.9
159.08067	4.3
163.07588	0.6
165.01849	2.5
165.09076	1.4
166.02635	0.8
167.03401	13.0
167.10635	0.6
168.03789	0.8
169.06494	4.4
170.07274	2.7
171.08083	2.3
173.04507	0.9
173.05934	0.8
173.09517	0.6
175.04027	0.7
177.01830	2.5
177.05469	1.0
177.09084	1.0
179.03424	2.1
185.06184	0.6
185.13206	0.8
186.69499	0.6
187.07590	5.1
188.08458	0.9
189.09164	1.4
193.04993	1.0
195.10234	1.9
201.09148	1.4
201.12790	1.5
202.06253	3.7
203.03410	0.9
203.14386	5.1
205.12363	1.0
207.10274	1.3
213.05455	0.7
213.12782	4.3
215.06990	0.8
215.14453	0.8
219.06496	1.7
221.04552	1.3
223.09784	0.9
225.11334	1.4
229.12389	1.2
231.10303	0.9
231.13828	3.8
233.15450	17.0
234.15747	1.9
243.13838	3.2
247.13380	1.2
249.14934	1.3
251.16719	1.1
253.12431	1.3
257.11697	1.5
259.13577	0.9
260.06934	1.4
261.14963	13.5
271.13516	1.5
277.14511	1.8
279.16006	2.8
285.28778	0.7
287.12875	4.3
289.14441	1.3
305.06650	10.4
305.13989	8.1
306.07065	1.0
307.15402	0.7
309.80087	0.7
313.14523	0.9
323.15091	1.5
337.12930	2.9
349.12964	16.7
350.13263	0.8
359.11282	1.0
365.12469	0.8
367.13998	59.8
368.14233	3.7
369.09473	0.9
377.12497	3.6
395.13510	34.6
396.13916	2.2
399.23706	0.8
423.12997	100.0
424.13306	6.9
425.57217	0.8
428.59177	0.8
459.10709	1.6
481.18878	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36338	0.6
57.03307	3.2
59.00970	1.4
59.01244	18.4
61.98685	2.5
69.03313	5.6
69.03621	1.0
71.01232	2.9
71.04881	1.5
72.92630	0.6
72.99168	18.3
73.02801	2.5
74.15913	0.8
85.02830	4.7
87.04358	0.8
97.02801	7.5
99.04378	3.1
101.02293	2.4
109.02806	1.1
112.99186	0.9
113.02309	49.8
118.55577	0.8
121.02820	2.2
125.02314	48.2
132.40756	0.7
135.04431	0.9
141.01816	5.0
143.03365	1.5
147.04431	1.2
149.05936	1.4
151.11148	1.1
152.00996	1.0
153.01892	0.8
161.04443	2.3
165.05421	1.9
174.03123	1.9
175.03868	1.3
179.03401	3.1
179.10678	2.6
193.12245	0.8
195.06491	0.9
207.10297	1.4
209.04535	1.5
215.14372	2.2
231.10211	1.7
231.13869	1.4
232.11043	2.3
232.32808	0.8
233.15431	1.0
243.13884	2.9
247.13390	1.0
253.11102	1.0
261.14917	3.2
273.91574	0.8
275.13031	1.1
277.14236	1.3
287.12866	3.2
305.13898	2.3
349.12961	4.5
367.13995	100.0
368.14456	3.7
395.13489	12.0
396.96960	0.8
399.18073	2.2
399.23816	5.2
421.11404	2.6
423.12994	41.2
424.13400	1.8
444.17651	1.0
459.10681	2.2
459.20175	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	459.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93278	1.0
59.01242	57.0
59.02400	1.4
60.42942	0.9
61.98681	3.8
63.48748	1.1
66.88261	0.9
69.03314	1.0
71.01241	18.2
71.04873	1.6
72.32162	0.9
72.99167	7.1
73.02811	10.2
81.03324	1.2
85.02803	3.3
89.02300	19.3
89.51869	1.2
90.62727	1.1
93.03322	2.3
96.95889	2.7
97.02830	2.3
99.00739	5.9
101.02323	4.4
109.02827	5.2
111.00764	1.3
113.02299	5.5
121.02831	4.0
121.06446	1.6
125.02299	11.0
131.03401	3.0
133.06450	3.2
135.00697	1.6
135.04416	2.6
137.02354	2.4
145.02831	1.6
147.04379	2.9
149.04459	4.8
150.03078	1.4
150.32559	2.1
151.07516	1.7
153.01817	2.1
161.04390	2.0
161.40192	1.3
163.03894	1.8
165.05501	1.2
165.09094	16.2
173.04475	2.7
175.03963	2.9
177.01866	1.9
177.05482	2.2
179.03491	1.2
180.04237	2.3
183.17403	1.1
189.05602	1.6
191.03427	3.9
191.05528	2.2
195.06573	3.1
203.03485	1.5
205.01422	2.7
209.04541	3.2
233.06647	4.6
233.11716	2.6
255.07866	1.3
261.11356	2.2
287.12933	2.1
293.08771	14.8
297.07697	2.2
305.03287	1.4
317.14005	1.6
317.60895	1.5
349.09177	4.6
349.65091	1.2
361.13000	2.3
367.14017	5.9
399.19983	10.2
421.11719	1.5
423.12973	100.0
424.13333	7.2
431.49487	1.4
459.10217	3.5
459.19595	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	459.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02214	0.4
57.03317	25.9
57.04528	0.5
59.00074	0.3
59.01242	17.5
59.02543	0.3
59.71372	0.2
59.84648	0.2
62.66503	0.3
66.06274	0.3
71.01238	3.9
72.99194	0.4
73.02798	1.2
78.95761	0.4
79.95584	1.4
80.96363	1.0
81.03309	0.6
83.01234	1.5
85.02802	2.3
87.00710	0.3
89.02278	2.3
91.72768	0.7
94.24524	0.3
96.95869	30.5
96.98588	0.4
97.02776	0.3
99.00706	1.3
99.01862	0.5
99.04375	33.2
100.04705	0.5
101.02303	13.5
109.02788	0.6
109.07568	0.3
113.02306	2.2
125.01572	0.4
125.02327	4.0
131.03308	0.3
135.04343	0.4
136.01340	0.6
137.62614	0.3
143.03409	0.7
149.04436	0.3
153.01819	0.6
161.04448	16.1
167.03372	0.9
173.04454	0.8
222.99211	0.8
233.06688	0.6
235.11728	2.7
241.00124	1.9
277.13062	0.4
279.12326	0.4
293.08783	1.0
297.06519	3.6
315.07568	20.3
331.94147	0.5
345.33084	0.5
357.08539	1.4
397.11746	4.5
399.09689	1.1
459.11810	100.0
460.12091	3.6
469.51218	0.3
470.38254	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47409	0.5
54.59348	1.2
56.37917	0.6
59.01223	2.5
61.84126	0.6
63.58570	0.6
67.60008	0.5
69.66196	0.8
71.01227	1.6
72.99141	3.0
73.02783	0.7
75.00732	0.8
79.01747	0.8
81.03295	0.7
82.06006	0.6
83.01234	1.4
83.04878	0.5
83.42483	0.6
93.03273	0.8
95.04883	1.0
97.02766	0.8
105.01755	1.0
105.03318	1.3
108.01996	0.8
109.02808	2.2
111.04427	1.0
119.04871	1.7
121.02792	1.2
123.00748	1.0
123.04360	1.3
124.01501	1.2
125.02328	6.7
133.06436	1.7
135.04359	0.9
137.02336	3.4
137.05934	1.5
139.03870	2.2
146.03615	0.8
147.04404	2.0
149.02312	3.1
149.09592	0.6
151.00180	0.7
161.02306	2.1
161.05988	4.3
163.00255	1.4
163.03914	4.5
165.01820	3.1
167.03380	5.7
173.04483	1.2
175.03839	1.4
177.01825	1.6
177.05498	1.0
177.43481	0.8
179.03380	2.7
187.03844	0.7
189.05498	1.1
190.02657	6.4
191.03427	18.9
203.03445	12.1
204.04263	5.0
205.05002	53.6
206.05344	1.4
215.03394	1.8
215.14383	0.9
217.05014	3.7
221.04462	1.2
231.02974	1.3
233.04526	100.0
234.04828	3.4
235.02411	0.8
236.03209	0.9
243.13907	1.1
245.04527	8.9
245.06848	1.1
247.06116	1.4
263.05609	25.3
275.05637	1.3
287.12976	1.3
299.16449	0.7
305.06699	5.8
316.02570	0.8
339.08749	49.0
340.09067	2.4
349.12772	0.9
353.08716	3.8
367.14056	4.8
369.09802	10.9
369.14249	0.7
381.09772	1.3
423.12927	4.2
459.13007	55.7
460.13437	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	459.13
Annotation	6''-O-Acetylliquiritin
Peak:m/z	Relative Intensity
57.03311	7.4
57.87729	1.1
59.01249	11.4
59.15099	0.7
60.99174	1.1
65.23958	0.9
67.01746	0.9
69.03316	0.9
71.01243	6.9
71.04879	4.5
72.99162	3.0
73.02798	7.0
75.00744	1.0
80.84016	0.8
81.03297	2.0
83.01225	1.9
83.04884	2.3
85.02805	3.5
87.00742	2.9
87.04366	2.3
89.02305	4.1
93.03313	45.1
94.03652	1.0
96.95868	7.9
99.00733	1.0
99.04382	3.1
101.02308	13.1
101.05939	0.8
109.02808	2.8
111.04399	6.4
113.02285	1.2
115.00250	0.8
115.03872	1.0
117.03318	3.2
119.03350	1.5
119.04848	0.9
121.02832	1.2
123.04408	1.2
125.02321	3.1
129.05486	2.0
135.04375	2.6
137.02335	4.7
155.03395	5.9
161.04462	3.9
173.04459	13.9
177.12697	1.6
179.03352	1.8
183.08078	1.6
185.06133	1.0
191.03700	0.8
191.05550	3.9
193.06505	1.7
195.08029	1.4
195.10219	1.1
207.17465	3.1
209.05986	1.0
210.06834	4.4
211.07584	71.1
212.07913	2.9
217.15897	2.3
221.06091	3.1
222.06906	1.3
223.07616	12.8
233.24132	1.0
235.17021	4.3
255.06625	100.0
256.06934	3.2
267.06631	71.2
268.06931	3.1
285.07681	33.1
285.12729	0.9
285.17117	3.4
286.08063	1.8
297.17081	2.8
315.07327	3.5
341.04486	1.8
342.05182	1.0
357.15469	1.2
369.03754	2.3
371.05630	3.6
385.15021	4.8
415.04529	8.9
441.13596	2.3
459.12851	13.6
459.18686	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	459.151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10975	1.6
56.44168	1.2
57.03316	80.9
59.00057	1.5
59.01243	77.6
67.67242	1.3
71.01245	14.0
72.99181	3.9
73.02808	4.9
74.09022	1.9
81.03338	1.8
83.01214	2.1
85.02808	7.4
89.02300	3.8
95.01199	1.6
99.00732	3.0
99.04373	100.0
101.02298	24.8
109.02780	2.0
113.02300	4.6
123.00738	27.5
125.02310	60.3
128.03401	5.1
130.08607	1.6
138.03114	47.0
143.03416	2.1
149.02312	2.6
153.05452	37.0
153.06677	1.9
161.04437	14.7
165.01817	2.4
167.03404	2.0
173.04465	2.2
177.01869	4.5
195.69666	1.9
205.01453	2.1
228.99229	1.8
263.01785	3.0
279.12427	2.5
297.81567	1.9
315.10916	2.5
322.18463	1.8
349.12906	3.9
357.11835	2.8
367.13977	5.5
395.13480	4.6
423.13071	37.9
459.10666	8.5
459.19092	8.8
459.24420	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	459.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	34.6
58.44456	2.7
59.01247	27.6
71.01244	14.1
72.99150	6.4
81.94241	2.7
85.02814	6.4
89.02287	8.7
89.43700	2.7
91.00226	3.1
96.95871	47.2
98.95451	3.4
99.00751	3.8
99.04371	44.0
101.02316	17.0
107.04842	3.1
108.02039	3.1
109.02815	7.0
113.02296	7.2
118.97976	5.9
119.03377	3.5
120.02048	5.5
123.04368	4.1
125.02324	29.7
131.03465	4.1
135.04422	5.5
137.02307	6.1
138.03094	5.8
147.04416	25.1
149.04477	8.0
150.42274	3.0
152.00993	3.1
153.01842	5.4
153.05461	100.0
161.02344	4.7
161.04512	3.0
163.00246	4.9
165.05482	11.3
188.01741	3.5
189.01918	4.8
190.99738	4.3
217.01376	7.6
219.00157	3.3
233.00914	9.7
241.00060	3.5
245.00864	7.3
253.79106	3.2
261.07739	25.3
285.07758	4.1
353.03262	3.3
386.60056	3.7
410.54761	3.9
423.12628	4.2
459.11343	4.5
459.19464	15.9
459.24542	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	459.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00264	0.4
55.01743	0.5
57.03316	4.4
59.01243	11.7
59.81712	0.4
64.78398	0.4
67.01318	0.4
67.38102	0.7
69.03310	1.6
71.01239	22.3
72.99172	2.4
73.02824	2.5
75.00731	21.8
75.02534	0.5
83.01236	1.2
83.04880	2.7
85.02800	7.0
87.00732	7.7
87.04410	0.5
88.98737	0.4
89.02293	9.8
90.39226	0.4
93.03320	1.3
95.04877	1.1
96.95876	3.9
97.02802	1.8
99.00734	15.6
99.01360	1.0
99.04377	0.5
101.02312	3.8
105.70842	0.4
109.02769	1.0
111.00748	2.0
111.04405	1.7
111.08006	0.6
113.02305	1.6
115.03867	0.7
119.03361	0.7
119.08549	0.8
121.06442	1.5
123.08016	6.6
128.27583	0.5
129.01808	17.1
131.03372	3.8
137.09592	1.1
139.07541	1.1
141.01814	1.5
145.10081	1.1
147.04401	19.5
149.04446	4.8
151.07552	1.0
153.01778	0.6
153.09148	0.7
159.02875	4.0
161.02380	0.6
169.08600	0.5
169.10086	1.0
171.11708	8.8
173.04492	2.8
177.03951	27.1
189.01866	0.7
189.12766	2.9
191.05492	1.1
195.05006	5.1
201.12781	3.0
206.68617	0.5
207.13867	1.9
219.13779	0.6
237.14931	10.6
281.13947	22.6
282.14279	1.1
423.16586	1.5
459.18796	100.0
460.19138	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	459.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91806	0.9
53.49007	0.9
57.03329	3.8
59.01242	69.4
67.68761	1.3
69.03298	7.8
71.01239	66.6
72.99165	20.8
72.99535	1.7
73.02802	13.3
73.99546	1.8
74.99612	3.1
75.00742	3.2
78.17988	1.2
81.03336	5.4
83.01262	5.2
85.02799	9.3
87.00771	3.4
89.02296	100.0
89.04567	1.5
93.03337	4.6
95.01247	2.0
96.95882	6.7
97.02814	10.8
98.95451	1.7
99.00729	18.5
99.04367	3.4
101.02301	20.0
101.02851	2.0
108.02067	2.6
109.02811	23.4
109.03482	2.1
111.00791	1.8
111.04426	2.6
113.02298	12.1
115.03876	9.0
117.03328	2.3
119.01305	2.8
119.03365	2.3
122.03629	3.7
125.02314	46.9
126.02639	1.7
127.03898	1.4
131.03366	12.5
133.02895	3.1
135.04428	3.8
136.01465	1.4
137.02342	2.7
137.05946	2.1
139.03955	1.7
143.01286	2.3
143.03413	3.5
145.02878	6.3
147.00809	1.9
147.04434	2.0
148.01604	1.9
149.04480	17.5
149.05986	5.0
151.03893	2.1
153.01823	16.6
159.00841	3.8
160.01602	2.5
161.02344	8.9
161.04523	3.7
163.00328	2.1
164.04764	2.1
164.08307	17.6
165.01857	2.0
165.05495	3.2
165.09103	34.4
165.10451	1.9
167.03365	1.9
171.00864	4.5
172.01607	6.1
173.02415	3.0
173.04495	4.8
175.00369	3.0
177.01881	2.5
179.03542	1.7
179.07140	2.1
187.00319	3.2
188.01099	2.9
189.01860	14.2
191.03946	1.6
191.05510	8.3
200.01155	2.4
201.01801	1.6
202.99901	2.9
205.01436	2.1
207.10268	2.1
214.99843	15.7
216.00671	5.0
217.01375	12.8
224.43019	1.5
230.99292	3.1
233.06636	42.7
242.99278	21.2
244.00092	28.3
245.00874	5.1
258.98898	5.5
259.06299	3.3
259.13437	2.0
261.00510	5.3
273.14209	2.0
285.17224	1.5
286.98370	4.8
287.99255	3.6
293.08801	58.7
316.82547	1.7
327.14551	2.0
349.13010	3.2
351.13531	2.5
367.14032	5.6
379.13202	3.1
395.13651	4.3
397.01932	11.0
397.14050	2.5
423.12881	35.1
424.13657	4.6
441.13101	4.4
459.10837	5.1
459.18875	25.4
459.24042	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1876
Annotation	Apiosylepirhododendrin
Peak:m/z	Relative Intensity
57.03305	0.5
59.01242	3.1
59.15451	0.3
69.03318	1.2
71.01249	2.0
72.99162	3.5
73.02800	0.8
81.03291	0.3
83.60903	0.2
85.02803	0.7
89.02300	3.6
97.02805	2.3
99.00753	1.0
99.04372	0.3
101.02300	1.1
108.01991	0.5
109.02797	1.3
112.06279	0.2
113.02304	10.4
115.03855	0.4
119.03358	0.2
121.02775	0.3
123.00734	0.5
123.04365	0.4
124.01543	1.9
125.02312	13.4
129.80659	0.2
131.03365	0.6
133.06465	0.5
135.04439	1.0
137.02278	0.5
138.03090	0.9
139.03882	1.5
141.01828	1.1
143.03406	0.5
143.39606	0.2
148.05225	0.2
149.04453	1.1
149.05913	0.5
150.03096	0.9
150.06725	0.6
151.03903	0.3
153.01778	0.2
158.07211	0.2
164.04657	0.6
164.08321	0.3
165.03351	1.0
165.09106	100.0
166.09438	2.3
174.03113	0.3
175.03926	0.7
179.03407	1.2
179.10637	0.5
191.05537	0.9
199.11169	0.2
207.10091	0.3
209.09642	0.2
214.01016	0.2
215.14284	0.2
217.12347	1.8
223.07478	0.2
225.11284	0.3
231.10255	0.4
232.10959	0.5
233.06639	2.4
243.13962	0.6
245.11813	0.4
253.08713	0.7
261.15015	0.8
267.06540	0.2
269.08286	0.5
277.14771	0.3
281.08133	1.1
287.12946	0.5
293.08771	5.0
294.08578	0.2
305.08029	0.2
305.13968	0.4
323.09335	0.9
334.10645	0.2
349.13321	0.7
354.14758	1.1
363.16019	0.3
365.14017	0.4
366.14832	1.7
367.13995	17.3
368.14301	0.9
369.17133	2.9
370.17242	0.2
381.17065	6.2
382.17291	0.4
395.13483	1.6
399.18344	1.2
423.13016	7.1
424.13184	0.4
441.19357	1.4
459.18954	7.7
460.19852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2006
Annotation	brugunin A
Peak:m/z	Relative Intensity
50.23794	1.7
54.99909	1.6
55.11224	1.6
57.03312	2.2
59.01236	14.8
61.98684	3.7
66.47781	1.6
69.03322	1.7
71.01237	7.6
78.95757	3.6
85.02797	3.5
87.00705	2.5
88.03880	8.9
89.02290	8.0
93.03295	6.7
96.95877	15.3
96.96804	3.9
98.95430	5.5
99.00764	3.1
101.02300	5.2
112.03982	2.4
113.02301	3.2
115.00184	2.5
116.92724	4.4
119.03360	4.5
125.02283	5.4
127.05022	3.0
128.03413	14.2
137.02342	11.6
138.03027	2.3
155.08142	2.3
165.01938	2.3
173.04463	5.3
174.04942	2.1
175.02339	2.7
177.01721	2.4
179.05388	3.0
191.05511	3.4
192.10524	2.4
197.12859	3.2
231.96262	2.0
241.11971	5.1
262.22101	2.4
274.90378	2.2
377.52127	2.3
395.23676	2.2
414.23489	6.2
415.23242	6.2
423.22607	15.2
459.20013	100.0
460.20206	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13075	0.6
51.39688	0.3
51.84019	0.2
54.98451	0.8
54.98681	0.3
57.03310	1.3
59.01238	3.1
61.98692	0.3
63.38811	0.3
64.67791	0.3
69.03310	1.1
71.01233	0.6
71.04896	0.4
72.99169	3.5
73.02802	0.6
80.91544	0.6
83.04874	1.1
85.02808	4.5
93.03312	0.7
95.01241	0.4
97.02810	1.8
97.06440	0.4
99.04382	1.4
99.08028	1.0
101.02322	0.4
101.05951	1.0
107.04884	1.0
107.91093	0.3
108.02028	0.7
109.02817	3.9
111.04399	1.4
113.02302	8.8
121.02805	1.0
123.00747	2.5
123.04385	3.2
123.08047	0.5
124.01532	42.1
125.02320	23.2
125.06003	1.1
133.06404	0.5
135.04387	5.7
135.08047	0.8
136.01584	0.9
137.02325	2.3
138.03107	2.8
139.03889	44.7
139.08417	0.5
140.04213	0.6
141.01834	1.0
145.06480	0.7
146.03622	0.6
147.04411	0.6
148.05112	0.4
149.05952	0.8
150.03111	4.7
151.03897	9.6
151.07515	0.6
152.01025	0.5
160.05156	0.4
161.02353	1.8
162.03082	0.5
163.03900	0.5
163.07536	8.1
163.11209	0.4
165.05482	3.2
173.02415	0.9
173.05931	0.6
174.03149	1.5
175.03947	3.0
177.05685	0.4
177.09200	0.5
178.02644	0.9
179.03400	5.4
179.10774	0.4
180.04185	0.5
180.17021	0.4
185.06015	0.7
186.06720	0.4
187.03931	0.8
188.04707	1.4
189.05501	1.1
191.10751	0.5
192.07872	0.7
193.05034	0.7
195.06499	0.4
197.06050	0.4
197.09705	0.5
201.05562	1.0
202.06320	0.6
203.03522	0.5
205.08531	0.6
207.08250	0.4
209.04529	0.5
209.09677	0.9
210.06558	0.3
213.05496	2.0
214.06331	1.1
215.07176	1.6
215.14302	0.5
217.05037	0.9
217.12302	1.1
219.13885	1.4
225.05684	0.3
225.09213	1.2
227.03430	0.7
227.10675	0.7
229.08716	0.7
229.12270	1.5
230.05829	0.6
231.10268	1.7
232.11038	0.6
233.11871	0.7
233.15289	0.4
235.07623	1.2
235.13344	0.6
237.09207	1.2
239.07153	1.0
241.05190	0.5
241.08548	0.5
241.12410	0.9
242.05705	0.6
243.06657	1.0
243.10277	1.3
243.14021	0.5
245.11832	2.8
247.13376	21.1
248.13771	0.5
251.07242	0.5
253.08669	3.9
255.10249	0.6
256.03879	0.4
257.11951	0.9
258.08966	0.6
258.12585	1.2
259.09814	1.7
259.13153	0.4
260.10672	1.8
261.15042	0.7
263.07050	0.9
267.06635	2.6
269.08160	0.6
270.08649	0.4
271.09805	3.6
272.10526	1.0
273.11383	5.2
274.11932	0.4
279.12320	1.5
280.07413	0.5
281.08203	8.6
282.08975	1.3
283.09650	0.6
284.06940	0.7
284.10345	0.5
285.07861	0.6
285.11340	1.8
286.11993	1.6
287.09415	0.7
287.12909	1.1
295.09735	0.5
297.07739	1.0
297.11316	1.2
298.11960	1.8
299.09265	7.8
299.12808	2.4
300.09918	1.3
300.13370	0.7
301.48328	0.4
305.13824	0.4
309.07678	0.4
313.14313	1.7
315.12357	1.1
323.09390	1.6
325.14493	0.6
327.16077	1.2
337.14484	0.8
349.13916	1.4
356.16269	0.8
365.14053	1.3
366.14700	4.6
367.13992	15.5
368.14252	0.6
369.07870	0.5
369.13376	0.4
371.18723	0.4
381.17178	4.7
383.15045	0.6
384.15845	7.7
385.07169	0.8
385.16458	0.5
386.07852	1.1
395.13519	1.3
397.07602	0.4
399.18152	100.0
400.18481	3.6
411.18161	1.1
413.06635	1.6
414.07486	1.0
414.16403	0.5
415.08292	0.4
423.13028	7.3
423.18271	0.6
426.07822	0.4
429.09750	2.5
429.19086	4.2
441.19235	1.1
459.10934	7.9
459.20325	10.8
460.11288	0.7
460.20432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13076	0.7
51.39709	0.8
54.98472	0.8
55.18078	0.4
57.03320	6.3
58.64722	0.4
59.00138	0.5
59.01242	18.4
59.58601	0.4
59.88957	0.4
61.98690	1.9
65.95743	0.5
69.03321	2.5
71.01246	2.8
72.99165	8.8
73.02814	1.8
73.63722	0.6
83.04882	1.0
85.02795	5.5
89.02307	1.0
91.73377	0.5
95.01271	0.9
95.04881	0.5
95.66320	0.6
97.02807	4.6
97.06461	0.5
99.04375	6.4
99.08069	0.8
101.02296	2.8
101.05948	0.9
107.04891	0.7
108.02022	1.0
109.02820	4.5
111.04399	1.2
112.90289	0.5
113.02307	23.7
121.02809	10.6
121.03613	0.8
121.06546	0.5
123.00783	2.1
123.03606	0.5
123.04366	3.0
124.01531	40.4
124.05337	0.6
125.02321	38.9
125.06023	0.9
132.60857	0.5
135.04414	2.4
135.08055	1.0
136.01614	0.8
137.02307	3.1
138.03098	2.9
139.03893	40.1
141.01825	2.2
143.03424	1.0
147.04411	1.2
149.06032	0.7
150.03087	3.9
151.03906	9.1
151.05032	0.7
152.01050	1.4
153.01849	1.1
159.04474	0.6
159.08038	0.6
161.02377	1.7
161.04555	0.7
161.05972	0.6
162.03162	0.7
163.07532	6.4
163.11133	0.7
165.05467	2.9
166.02612	0.8
167.03412	1.2
171.04390	0.6
173.05890	0.6
174.03200	1.2
175.03912	3.4
176.04649	0.7
179.03386	3.6
179.05713	0.5
179.10736	1.1
179.82265	0.7
180.04332	0.6
187.03970	1.1
188.04744	1.5
189.05399	0.9
194.05760	0.7
195.06503	0.8
197.09891	0.6
204.11551	1.1
207.10190	0.8
209.09729	0.9
212.26941	0.5
213.05626	1.6
214.06416	0.8
215.07135	2.1
217.05043	1.2
217.12329	0.7
219.13832	1.5
225.05627	1.0
229.08572	0.7
229.12303	1.0
230.05991	0.6
230.09323	0.6
231.10365	1.9
232.11049	2.1
233.11800	0.9
235.07603	1.2
237.09091	0.8
239.07001	0.7
241.05074	0.7
241.08806	0.8
241.12344	1.1
243.06679	1.6
243.10306	1.5
243.13905	1.8
245.11902	2.4
247.13380	18.4
248.13577	0.7
251.07101	0.6
253.08745	3.5
255.10301	1.4
257.11896	0.7
258.12662	2.2
259.09885	2.1
259.13339	1.1
260.10648	1.5
261.14920	2.8
267.06628	2.9
269.08194	0.6
271.09833	3.5
273.11310	4.9
275.12833	0.6
281.08237	7.9
282.08978	1.4
283.09869	0.9
285.07748	1.1
285.11362	1.8
286.12082	1.3
287.12903	2.4
295.09827	0.7
298.12039	1.5
299.09235	6.5
299.12762	2.3
300.10049	1.0
305.14081	0.9
313.07172	1.9
313.14502	2.1
315.12335	1.1
323.09229	1.6
327.15948	1.3
337.14313	0.7
349.12997	2.5
365.13815	1.1
366.14941	3.9
367.13983	40.2
368.14487	1.8
381.17078	6.4
384.15817	7.9
395.13531	4.7
396.15970	0.9
399.18185	100.0
400.18527	4.1
401.08798	5.1
411.18069	6.4
421.11630	0.7
423.12961	16.6
424.13507	1.1
441.19437	1.3
459.10608	1.0
459.20331	7.0
460.21075	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16829	0.6
52.35244	0.5
55.01731	1.5
57.03311	3.3
59.00016	0.7
59.01242	39.4
59.01511	1.9
61.98680	3.3
67.24176	0.7
69.03278	1.8
70.99674	1.2
71.01237	56.3
71.02930	0.8
72.99164	6.4
73.02805	27.2
75.00690	1.6
77.47878	0.7
81.03308	0.8
83.01244	18.7
85.02803	34.0
87.00739	3.5
87.04336	0.8
89.02301	7.6
93.03308	0.8
93.94135	1.1
93.94670	0.9
95.01255	4.0
96.95863	4.3
97.02810	3.4
99.00735	8.5
99.04351	1.0
100.99651	0.9
101.02303	62.3
101.05213	0.8
101.54221	0.7
103.03880	4.0
105.01775	0.8
109.02771	1.7
111.00687	1.0
113.02306	27.2
113.89528	0.7
118.84457	0.7
119.03319	1.6
121.02838	0.7
124.01524	0.7
125.00127	0.7
125.02332	10.0
129.01758	0.8
137.02280	1.2
143.03371	3.9
143.04285	0.7
145.04907	1.9
147.02859	1.0
151.00211	1.0
159.02887	4.8
161.04449	35.4
162.04674	0.8
163.05972	2.0
177.01761	1.3
177.67218	0.7
179.03311	1.3
192.87981	0.9
229.07156	1.3
242.05779	1.8
243.13860	1.1
247.08232	2.6
257.08307	0.9
258.80820	0.9
261.14838	0.8
268.03622	0.8
279.02826	0.9
283.06015	1.1
287.12961	1.2
291.02902	0.8
313.16580	100.0
314.16882	4.4
341.04678	0.7
357.15329	1.2
358.31354	0.9
359.05429	1.0
367.14063	8.7
395.13446	1.0
415.04364	7.5
415.13660	1.2
421.11478	3.1
423.12869	6.3
459.22461	85.6
460.22864	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03072	1.6
57.03318	16.0
57.46081	1.1
59.00103	1.8
59.01244	100.0
59.02496	2.0
60.44960	1.2
61.98683	6.4
69.03311	3.4
71.01242	20.1
71.04884	5.1
72.59390	1.2
72.87438	1.0
72.99165	10.9
73.02810	18.5
78.90606	1.2
79.66838	1.1
81.03330	3.2
83.01248	6.2
83.04864	1.1
85.02821	7.3
87.00737	6.0
89.02298	9.0
93.03300	4.1
97.02812	6.7
99.00707	1.4
99.04379	19.7
101.02303	22.1
111.04363	2.1
113.02316	36.0
115.00249	5.9
115.03880	24.0
119.03403	4.0
121.02814	2.3
125.01450	2.5
125.02318	35.4
128.03387	2.2
137.02301	2.5
139.11090	1.5
141.01787	3.0
143.03378	4.0
155.03398	2.3
157.01297	2.9
161.04453	5.4
173.04414	2.4
175.02429	1.6
175.03972	1.6
175.14803	1.5
186.06805	2.4
191.10658	1.9
193.15953	9.5
211.13408	2.5
215.14418	2.8
221.19116	2.4
233.15411	1.9
237.14932	13.4
243.13811	3.0
255.16104	6.3
261.15030	2.6
265.18018	2.2
283.19171	4.9
285.20691	4.3
287.12912	4.7
295.13235	1.5
297.18799	2.2
301.20264	10.9
305.13635	2.0
349.12872	4.8
367.14017	60.1
368.14465	2.3
395.13425	6.7
397.54132	1.6
399.20187	9.0
401.09039	1.6
417.21652	1.8
423.12967	25.2
459.22076	17.5
466.03159	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	459.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01714	0.5
56.43454	0.4
56.47471	0.5
57.03284	0.8
57.42429	0.4
58.99498	0.4
59.01189	7.1
61.98653	0.6
69.03278	1.0
71.01186	1.8
71.04849	0.5
72.60092	0.5
72.99166	4.4
73.02759	0.8
85.02750	1.6
89.02234	0.9
93.03263	0.6
95.01212	1.0
95.04848	0.6
97.02754	2.2
99.07959	1.0
101.02245	1.5
102.32029	0.4
102.62842	1.1
102.63517	1.1
108.01987	0.6
109.02816	4.2
113.02303	12.1
119.04884	0.6
121.02767	1.0
123.00708	2.2
123.04314	1.5
124.01531	4.6
125.02321	12.9
135.04295	1.0
137.02333	2.6
138.03081	2.8
139.03868	1.4
139.52751	0.5
141.01733	1.8
143.03366	0.6
147.04300	0.7
149.05910	0.6
150.03043	0.6
151.03841	2.0
153.05444	1.4
158.03635	1.1
161.04361	1.9
162.03122	1.0
164.94202	0.6
165.01855	2.4
165.05411	0.9
175.03854	0.9
177.01814	1.0
177.05495	0.9
178.02550	0.9
179.03323	1.4
180.04128	2.1
186.03177	0.7
186.06758	0.7
191.03421	0.5
192.04071	0.6
193.04872	0.8
195.06500	2.0
203.03334	0.6
208.73882	0.5
213.12770	0.6
214.06259	1.6
225.09036	0.7
229.12283	0.7
230.09526	0.8
231.13763	0.6
239.10709	1.7
241.08597	0.6
241.12134	0.5
242.09364	1.7
243.06352	0.7
252.07773	0.7
253.08717	0.6
257.11847	4.2
261.14880	0.9
263.12921	0.5
267.10214	1.5
269.08130	0.8
270.09042	4.1
271.09692	0.7
273.11346	1.0
275.12924	0.7
283.09769	1.8
284.10483	2.8
285.11569	2.4
286.12125	1.1
287.12924	0.8
297.11121	0.7
299.12857	1.8
321.14926	1.2
323.16495	1.8
325.10648	0.9
338.15030	0.7
339.16010	1.6
341.13831	0.7
341.17581	9.9
349.12888	0.9
351.16116	3.0
353.17764	0.7
367.14008	21.0
367.18832	0.8
368.15967	1.7
369.17087	73.5
370.17441	2.9
381.20932	0.9
383.18707	8.2
384.19440	13.8
395.13599	1.4
398.20972	1.1
399.21741	6.4
423.12964	8.2
424.13229	0.6
441.19305	0.8
444.21625	14.4
459.23990	100.0
460.24405	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	459.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74570	0.1
59.01248	0.4
59.17176	0.5
62.96272	0.2
78.93753	0.5
78.95759	48.0
78.97538	0.8
96.95873	0.2
96.96817	5.5
100.79765	0.2
102.48938	0.2
117.03341	1.5
118.04128	0.2
119.04903	1.8
121.02792	0.3
145.02829	2.6
150.97874	1.6
152.93951	0.7
152.99472	100.0
153.04352	1.2
153.99803	0.7
160.38841	0.2
163.03828	0.4
164.03392	0.3
170.99150	0.2
171.00536	3.6
189.07285	0.2
208.02431	0.2
214.52493	0.2
299.23715	0.3
305.24835	1.2
341.51303	0.2
346.12524	0.2
361.24072	1.0
385.23392	0.5
436.02356	0.2
459.25156	7.9
460.22867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	14.4
63.87968	0.7
71.01237	11.7
71.01587	0.9
78.95791	2.3
80.70049	0.8
85.02826	1.2
87.00758	2.2
89.02295	17.8
96.96899	0.9
101.02342	2.7
104.56300	0.7
107.04919	1.0
113.02345	3.3
119.03418	1.8
125.02316	1.1
141.01753	1.0
149.04431	0.8
152.99539	3.6
161.04488	2.9
179.05527	10.6
179.06769	0.8
211.93336	1.3
224.94154	1.2
243.92238	0.9
255.23279	1.5
266.05786	0.9
279.23294	100.0
280.23846	3.4
305.63824	0.9
327.39252	0.9
361.23886	3.3
373.18210	0.9
378.42035	0.9
459.31055	2.5
460.09024	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	459.3117
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
50.56271	0.5
59.01219	0.6
65.03810	1.3
69.59351	0.6
78.95753	4.0
79.05372	0.8
79.63605	0.6
81.03317	0.8
83.04877	0.9
93.03318	5.9
94.95227	0.6
95.04887	0.7
96.95889	0.8
96.96826	1.0
107.04886	45.6
108.05185	0.9
109.02818	1.1
111.04404	0.8
116.92738	1.1
119.04886	9.2
121.02843	5.4
143.04907	2.7
152.85432	0.7
152.99461	7.9
161.05971	2.6
170.20393	0.8
195.17412	0.8
205.60007	0.7
209.43906	0.8
240.22701	0.8
241.73064	0.7
265.87341	0.8
271.09171	0.6
297.22174	1.0
315.23291	2.1
317.24762	1.3
361.23755	1.2
379.30096	0.8
397.31204	7.5
400.12607	1.2
415.19553	1.0
415.32156	7.5
459.18066	2.2
459.31210	100.0
460.19150	0.9
460.31647	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	460.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11820	0.3
58.00454	0.6
59.00085	0.5
59.01241	28.0
59.02501	0.4
63.57844	0.3
70.99731	0.4
71.01238	22.1
71.02919	0.3
72.99152	0.6
73.02806	5.7
73.28209	0.3
83.01235	0.8
83.50573	0.3
85.02792	2.1
87.00719	0.5
88.01823	0.6
88.03893	44.9
88.06192	0.6
89.02294	13.7
95.01244	0.3
96.95856	1.9
99.00775	0.4
101.02304	11.5
107.70701	0.3
109.02784	0.4
113.02302	2.8
115.00233	16.2
116.00611	0.4
119.03368	10.6
125.02316	0.4
131.03400	0.4
132.02892	7.2
143.03320	0.6
143.22163	0.4
148.05544	0.3
149.72667	0.3
160.56601	0.4
161.04453	5.5
164.10677	0.5
165.09090	0.7
175.33394	0.4
179.05516	3.0
179.07022	0.7
206.23434	0.4
218.11797	0.4
221.06653	0.4
236.13007	2.3
254.14066	0.5
278.13525	0.8
301.16550	2.7
344.17160	3.3
345.15533	7.8
416.19073	2.1
437.14240	0.4
442.17343	2.0
460.18274	100.0
461.18591	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	461.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83358	1.4
55.01757	4.5
57.03304	3.0
59.01243	7.4
67.01748	0.9
69.03307	1.7
69.55186	0.6
71.01239	7.6
72.99168	1.2
73.02805	1.5
75.00718	2.3
81.03328	3.6
83.01237	15.3
83.04875	1.8
85.02801	1.8
87.00707	1.8
89.02293	3.4
93.03332	3.8
95.01237	1.6
95.04884	2.4
96.95857	5.8
96.96792	0.8
96.99166	1.8
97.02814	4.4
99.00751	1.0
99.04387	1.4
101.02306	2.6
105.03363	0.9
107.04916	1.2
109.02809	12.0
111.04373	6.6
113.02312	2.4
115.00249	2.0
117.97151	1.0
119.03365	2.2
119.04877	0.9
121.02829	2.8
123.00749	4.5
123.04388	3.4
124.01525	3.4
124.98679	27.0
125.02312	63.2
126.02671	0.9
126.89393	0.7
127.00234	1.6
128.03423	2.2
133.04945	1.5
135.04416	2.5
136.04021	0.9
137.02324	38.2
138.03122	1.1
139.03893	20.0
141.99275	0.7
142.99739	55.4
144.00002	0.8
147.04430	2.3
149.02342	9.8
149.05949	2.2
151.03885	5.6
153.01820	1.8
153.09042	1.2
154.09738	1.1
154.94489	1.5
154.99754	100.0
156.00038	1.0
159.04454	1.8
161.02348	3.1
161.04471	1.6
163.03893	2.3
164.01076	5.9
165.01833	16.3
165.05484	1.1
166.02527	1.2
167.01996	1.3
167.03406	22.5
173.04482	2.0
173.05981	1.1
175.02530	1.2
175.03928	3.3
175.07521	1.1
176.01068	1.5
177.01839	11.0
177.05476	3.5
178.02623	1.6
178.05000	0.9
179.03416	12.8
181.04924	1.7
184.03453	0.9
189.05389	1.0
191.03400	4.3
191.07002	1.9
192.04182	1.1
193.05013	2.5
195.02914	3.5
200.04747	0.9
201.05577	2.3
201.11238	1.3
203.03488	2.9
204.04247	2.0
205.04968	1.7
211.04294	0.9
213.05595	1.1
217.05058	1.3
219.03008	2.0
219.06566	10.2
221.04521	6.4
221.11589	0.8
229.05063	2.1
230.29333	0.8
231.06590	15.3
233.04543	2.7
238.03613	2.0
239.12791	0.9
243.06517	0.9
247.02567	0.8
247.05988	1.8
253.12979	1.2
261.07654	4.0
263.05569	1.3
271.14194	1.9
273.07703	9.7
275.05743	0.9
287.49710	0.8
293.03015	1.8
297.13458	1.7
299.05615	1.1
301.15256	1.3
305.06683	87.8
306.07245	3.1
317.06665	29.2
317.10406	1.6
359.07401	1.3
373.09439	1.2
389.08786	1.0
399.07211	1.0
417.08246	1.1
431.95181	0.8
460.18771	0.8
461.07300	23.3
461.20752	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	461.073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23270	0.7
50.31017	0.7
50.38564	0.9
52.83356	1.1
55.01743	4.3
55.71649	0.7
57.03310	3.4
57.06052	0.9
59.01234	5.2
59.01490	0.9
61.57547	0.7
66.34620	0.9
67.01733	0.8
68.99683	1.4
71.01250	5.0
72.99123	0.8
73.02776	2.1
81.03300	3.3
83.01245	14.7
87.00716	1.9
88.03926	1.1
89.02290	1.8
91.73293	1.0
93.03313	2.8
95.01237	1.8
95.04885	2.5
96.95889	3.8
96.99181	2.7
97.02811	3.8
98.69778	0.9
99.00748	2.2
101.02273	1.4
107.04903	1.9
109.02821	11.3
111.04398	6.6
113.02281	1.6
115.00290	2.1
119.04891	1.8
121.02822	4.1
121.06456	1.4
123.00777	5.3
123.04410	2.5
124.01523	3.3
124.98683	26.8
125.02313	63.4
125.05930	1.4
127.00231	2.7
127.03870	1.0
128.03391	1.9
129.40865	1.0
135.02884	2.4
135.04329	2.6
137.02321	35.0
137.05844	1.2
138.03113	1.1
139.03886	17.9
140.01071	1.3
142.99739	55.6
143.04381	1.5
147.04472	2.1
149.02318	10.3
149.05962	1.3
150.03090	1.0
151.00247	1.1
151.03908	4.9
153.01814	1.9
154.99750	100.0
155.03354	2.8
159.04413	1.5
161.02336	3.4
163.03938	4.2
164.01070	5.2
165.01840	17.2
166.02612	2.6
167.03395	18.4
175.02483	1.3
175.03949	2.9
176.01062	2.1
177.01843	12.2
177.05475	5.2
178.02628	2.3
179.03398	14.5
189.05539	1.2
191.03398	6.6
191.07014	1.8
193.04904	2.2
195.02924	5.3
201.05495	1.8
201.12836	1.7
203.03444	3.0
204.04349	1.8
205.05055	2.6
217.04938	1.7
219.03099	1.7
219.06566	10.6
219.13907	1.9
221.04478	6.5
229.05064	1.7
231.06558	17.0
231.08640	1.4
233.04515	2.5
243.06602	1.1
261.07709	3.4
263.05621	1.3
273.07715	11.0
281.13934	3.2
285.04028	1.4
287.05670	2.1
293.03021	1.3
299.05478	1.2
305.06680	87.2
306.07382	2.7
317.06625	30.6
343.04547	2.2
373.09164	1.7
389.08743	1.4
391.13080	1.0
399.07501	1.3
461.07266	19.8
461.15625	2.0
461.21246	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	461.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91299	0.3
58.29171	0.3
58.54113	0.3
59.01238	3.4
61.98689	0.8
66.12691	0.3
66.96233	0.4
69.66309	0.3
71.01236	0.9
72.99155	0.8
75.00741	0.3
75.71320	0.3
79.75217	0.3
81.57909	0.6
83.01253	0.4
85.02802	0.4
85.53053	0.3
86.83488	0.7
87.00739	0.4
91.37238	0.3
94.26045	0.7
97.02748	0.4
99.04366	0.4
99.08010	0.3
101.02309	0.6
107.01234	0.7
115.00238	1.1
125.02334	0.8
133.02805	0.4
146.08202	0.4
146.11642	0.4
147.04437	0.4
149.05927	1.2
151.00243	2.0
169.92958	0.4
171.04428	1.2
171.71875	0.3
175.02458	2.0
175.03738	0.5
177.05505	1.1
183.04431	0.6
187.03902	0.4
197.02295	0.5
199.03960	4.5
199.60710	0.3
201.01949	1.7
203.03429	1.0
214.02760	0.4
215.03401	4.3
225.01959	0.7
226.02559	0.8
227.03430	4.2
229.01476	0.6
239.09282	0.5
241.01433	0.4
241.99838	0.6
242.02188	9.0
243.02951	41.0
244.03322	1.3
257.04550	12.4
270.01712	10.9
270.04694	0.5
271.02490	45.5
272.02814	1.9
285.04041	22.9
286.04745	7.3
299.01962	15.8
300.02731	3.4
303.21667	0.6
314.04330	49.1
315.04993	6.7
351.14362	1.3
357.06195	1.0
367.95419	0.4
423.12616	0.5
425.14578	1.0
461.10919	100.0
462.11258	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	461.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42699	0.3
59.01241	1.8
63.02274	0.3
65.00208	0.3
66.56645	0.2
73.02808	0.4
83.87678	0.7
83.88180	0.4
87.00735	0.3
87.72376	0.2
88.90891	0.2
88.98075	0.3
88.98545	0.3
101.02321	0.3
107.01185	0.3
107.79723	0.3
117.03267	0.2
119.33825	0.3
121.02832	0.3
123.56551	0.3
125.02278	0.3
128.03403	0.3
132.02049	0.4
149.02307	0.5
151.00262	1.0
159.04362	0.3
159.93434	0.3
166.04953	0.3
173.04460	1.2
183.04448	0.9
199.03990	0.4
211.04021	0.3
227.03427	0.5
239.03632	0.3
253.64606	0.3
254.91656	0.8
255.02975	99.2
256.03403	3.7
263.11420	0.3
267.02896	0.4
268.03735	1.4
269.04572	5.2
270.04910	0.3
281.04630	0.6
283.02487	65.6
284.03177	10.7
285.04034	3.0
297.04037	14.3
298.04819	17.3
299.05566	8.6
300.05835	0.4
313.03549	3.5
327.05045	0.5
341.06543	0.4
446.08563	20.9
447.09113	0.7
461.10925	100.0
462.11255	5.4
469.78320	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45712	0.2
57.72331	0.3
59.01244	1.8
71.01250	1.7
73.02803	0.7
77.02077	0.2
83.01220	0.3
85.02803	1.0
87.00720	1.4
89.02292	0.6
93.03342	0.5
96.95867	3.0
99.00759	0.4
101.02309	1.0
101.49297	0.3
106.04108	0.4
107.04900	0.5
109.02816	2.9
113.02312	0.5
115.49522	0.2
119.04884	0.5
121.02808	1.4
122.03568	0.3
122.06005	1.7
124.01515	0.3
125.02332	0.4
133.02843	1.2
134.03609	31.0
135.04396	36.0
136.01501	0.4
136.04797	0.4
137.02332	3.9
137.20758	0.3
139.03876	1.5
147.04399	0.5
148.01416	0.3
149.02354	0.7
149.05968	11.8
150.03127	0.6
153.01831	0.5
161.02330	0.4
161.04465	0.6
163.00259	2.8
165.05548	0.4
167.07037	4.0
177.01859	0.6
178.02626	26.9
178.99989	1.6
179.03403	29.8
180.03760	0.3
192.97557	0.8
193.04985	100.0
193.11484	1.0
194.05344	2.0
205.01331	0.8
206.02136	1.2
219.02963	0.5
219.06573	0.3
221.08139	5.4
227.03563	0.5
229.04950	0.6
235.02449	0.3
239.09241	1.8
249.05994	0.5
255.02933	1.0
258.18994	0.3
263.02151	0.4
264.02737	2.3
271.02615	0.5
273.04089	1.8
281.06677	17.6
282.06964	0.4
287.14865	0.3
301.03644	0.6
311.05627	0.8
315.04974	1.1
324.34842	0.3
329.15967	0.7
329.38953	0.3
355.04434	0.4
373.05472	0.9
382.52444	0.3
384.75281	0.3
415.27509	0.3
461.20410	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	461.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79172	0.3
59.50888	0.3
63.02242	0.4
66.36537	0.3
69.47367	0.3
81.57901	0.5
91.66149	0.3
94.26083	0.5
94.26575	0.5
101.17648	0.3
107.01246	0.9
125.02327	0.7
133.02888	0.5
137.02255	0.4
143.04984	0.3
151.00264	3.1
153.01776	0.5
155.04938	0.4
157.02870	0.5
163.00243	0.6
164.01053	0.7
171.04478	1.1
175.03976	0.8
178.99774	0.5
183.04390	0.5
185.02377	0.4
187.03920	1.0
197.02405	0.6
199.03941	5.2
201.01855	2.1
203.03398	0.8
215.03436	4.9
225.01843	0.5
226.02713	1.4
227.03427	5.5
229.01463	0.6
242.02184	11.4
243.02972	49.4
244.03409	1.2
255.02960	4.7
256.03751	0.4
257.04559	13.1
270.01703	12.3
271.02493	50.8
272.03116	1.5
283.02432	0.4
285.04059	27.5
286.04782	7.4
287.05414	0.6
299.01993	20.0
300.02750	14.3
301.02975	0.5
314.04346	60.1
315.05109	33.9
316.05408	0.9
357.06149	1.5
370.65952	0.4
461.10934	100.0
462.11221	3.7
468.82828	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64896	1.1
57.03313	0.8
59.01243	5.0
59.61964	0.5
60.54362	1.0
61.06192	0.6
61.06536	0.6
69.03334	0.7
69.81077	0.6
71.01235	10.5
71.04870	1.5
72.97408	4.7
72.98784	1.5
72.99167	21.8
73.02795	3.4
75.00740	1.0
83.04888	1.2
83.34301	0.6
83.34814	0.7
85.02821	2.0
89.02310	2.7
93.03308	1.1
95.04858	0.9
96.37169	0.8
97.02814	1.5
101.02308	2.1
105.06981	0.8
107.04913	1.3
108.02030	1.2
109.02859	2.0
111.00694	0.8
111.04405	2.5
113.02305	8.9
119.04899	0.9
121.06484	0.9
123.04406	0.9
123.07998	1.1
124.01539	1.4
125.02317	6.0
133.06505	2.5
133.96649	1.0
134.97456	1.5
135.04387	1.0
137.02336	1.5
138.03143	2.4
139.03946	3.5
141.01808	7.4
146.24655	0.7
147.04425	1.0
148.05196	1.1
149.02322	2.0
149.05962	48.7
150.06334	1.0
151.03929	2.5
151.07520	0.9
158.07275	0.8
159.04437	1.5
160.05162	0.7
166.02585	3.7
167.03424	2.2
171.10193	1.5
175.03891	1.1
176.04694	1.4
177.05482	61.9
177.12737	2.1
178.05829	1.5
179.10666	2.2
191.10695	1.4
193.04967	3.6
195.06558	1.8
205.12302	2.1
207.10281	0.9
211.05980	1.4
215.14452	2.5
216.11546	1.3
217.12288	2.1
217.15926	4.0
221.04506	1.0
227.14343	1.5
229.12411	1.0
233.11906	1.6
233.15480	3.1
235.09871	0.9
235.13332	1.0
235.16977	2.0
239.05533	7.1
243.13959	1.1
245.11818	3.0
245.15504	3.0
259.13434	4.9
260.10529	1.3
261.11191	1.3
261.15030	5.1
263.03323	0.8
263.16516	1.1
271.13586	2.2
277.14432	2.6
279.12512	1.4
279.16071	2.2
287.13062	1.6
289.14432	8.3
303.12363	5.0
305.13986	12.2
307.15463	6.1
314.17120	1.4
315.12411	1.3
323.01941	0.7
323.14941	3.1
325.20215	2.8
333.13425	2.3
351.14508	100.0
352.14917	2.9
353.15997	2.1
367.14081	4.6
372.06555	1.8
373.07339	1.3
377.12512	4.8
378.12674	1.1
379.13409	1.1
389.19833	1.0
395.13403	1.4
405.12003	5.8
406.12201	1.3
407.13016	2.1
423.12970	18.3
424.13770	0.9
425.14529	49.0
426.14771	1.7
461.18579	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64892	0.9
59.01231	2.0
60.54346	1.0
60.54608	0.6
64.79889	0.4
71.01241	7.0
71.04871	1.1
72.99165	15.4
73.02799	1.4
80.34979	0.5
84.72599	0.5
85.02776	1.2
89.02296	2.1
90.50527	0.5
95.04897	0.7
95.50466	0.5
96.37250	0.7
96.68650	0.6
97.02794	0.9
101.02293	1.4
105.07032	0.6
107.04892	1.2
109.02785	1.0
111.04360	2.0
113.02309	3.7
121.02799	0.9
121.06443	1.0
123.08003	1.5
124.01550	0.7
125.02315	3.7
127.49809	0.5
133.06447	1.4
133.89801	0.6
134.03615	0.8
135.04359	0.7
137.02301	0.8
138.03084	2.3
139.03888	3.5
141.01810	2.0
145.64259	0.7
147.04443	0.7
148.05206	0.8
149.02324	2.3
149.05965	40.4
149.09560	1.6
149.10713	0.7
150.06328	1.0
151.03894	2.0
151.07552	1.3
151.11179	0.8
153.39621	0.5
159.04382	0.7
161.02393	0.8
165.01822	0.8
165.05508	1.0
166.02621	4.2
167.07086	0.6
167.10687	1.2
175.03944	0.9
177.05484	50.6
177.12772	2.0
179.10716	1.1
179.14273	0.6
186.06873	0.8
193.04994	5.6
195.06580	1.6
203.03476	0.7
203.07239	0.7
204.11232	0.9
205.08521	0.6
207.10321	0.6
211.06042	1.3
214.06346	0.7
215.14310	1.8
216.11504	1.2
217.12183	2.0
217.15904	3.6
219.03058	0.8
221.04446	0.9
227.14444	0.6
233.11768	1.4
233.15454	4.0
235.13504	0.8
235.17039	1.5
239.05588	6.8
243.13887	2.2
245.11797	2.6
245.15544	3.8
247.13425	0.9
260.10425	1.4
261.14987	2.9
263.12875	0.6
263.16470	1.0
267.06671	1.2
271.13489	1.6
277.14444	2.1
279.12405	1.5
279.16034	3.4
280.12958	0.6
287.12909	2.3
289.14456	6.6
293.08765	0.8
305.10699	1.1
305.13974	14.4
306.14520	0.6
307.15506	5.4
311.05661	2.4
323.14935	4.1
333.13492	3.0
347.44742	0.7
349.12845	1.9
351.14499	100.0
352.14819	2.8
367.13998	7.6
368.14322	1.0
369.14496	1.1
397.14835	0.7
407.13925	0.6
423.12924	7.3
425.14569	40.2
426.14828	1.4
455.92932	0.6
461.09622	1.8
461.22375	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64896	1.1
57.03313	0.8
59.01243	5.0
59.61964	0.5
60.54362	1.0
61.06192	0.6
61.06536	0.6
69.03334	0.7
69.81077	0.6
71.01235	10.5
71.04870	1.5
72.97408	4.7
72.98784	1.5
72.99167	21.8
73.02795	3.4
75.00740	1.0
83.04888	1.2
83.34301	0.6
83.34814	0.7
85.02821	2.0
89.02310	2.7
93.03308	1.1
95.04858	0.9
96.37169	0.8
97.02814	1.5
101.02308	2.1
105.06981	0.8
107.04913	1.3
108.02030	1.2
109.02859	2.0
111.00694	0.8
111.04405	2.5
113.02305	8.9
119.04899	0.9
121.06484	0.9
123.04406	0.9
123.07998	1.1
124.01539	1.4
125.02317	6.0
133.06505	2.5
133.96649	1.0
134.97456	1.5
135.04387	1.0
137.02336	1.5
138.03143	2.4
139.03946	3.5
141.01808	7.4
146.24655	0.7
147.04425	1.0
148.05196	1.1
149.02322	2.0
149.05962	48.7
150.06334	1.0
151.03929	2.5
151.07520	0.9
158.07275	0.8
159.04437	1.5
160.05162	0.7
166.02585	3.7
167.03424	2.2
171.10193	1.5
175.03891	1.1
176.04694	1.4
177.05482	61.9
177.12737	2.1
178.05829	1.5
179.10666	2.2
191.10695	1.4
193.04967	3.6
195.06558	1.8
205.12302	2.1
207.10281	0.9
211.05980	1.4
215.14452	2.5
216.11546	1.3
217.12288	2.1
217.15926	4.0
221.04506	1.0
227.14343	1.5
229.12411	1.0
233.11906	1.6
233.15480	3.1
235.09871	0.9
235.13332	1.0
235.16977	2.0
239.05533	7.1
243.13959	1.1
245.11818	3.0
245.15504	3.0
259.13434	4.9
260.10529	1.3
261.11191	1.3
261.15030	5.1
263.03323	0.8
263.16516	1.1
271.13586	2.2
277.14432	2.6
279.12512	1.4
279.16071	2.2
287.13062	1.6
289.14432	8.3
303.12363	5.0
305.13986	12.2
307.15463	6.1
314.17120	1.4
315.12411	1.3
323.01941	0.7
323.14941	3.1
325.20215	2.8
333.13425	2.3
351.14508	100.0
352.14917	2.9
353.15997	2.1
367.14081	4.6
372.06555	1.8
373.07339	1.3
377.12512	4.8
378.12674	1.1
379.13409	1.1
389.19833	1.0
395.13403	1.4
405.12003	5.8
406.12201	1.3
407.13016	2.1
423.12970	18.3
424.13770	0.9
425.14529	49.0
426.14771	1.7
461.18579	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79530	0.5
55.01761	0.7
57.03309	1.2
58.99988	1.6
59.01242	100.0
59.02378	1.5
63.14565	0.5
66.05685	0.6
67.43922	0.5
71.01238	11.4
71.01596	1.1
71.04905	1.2
72.99171	1.3
73.02814	2.8
74.02364	0.7
77.40799	0.6
80.61195	0.6
81.03318	1.0
83.01251	1.7
85.02814	3.7
87.00743	2.5
89.02298	11.4
89.02832	0.7
93.03333	0.9
95.01254	1.2
96.95880	6.3
97.02771	1.4
97.06455	1.2
99.00747	1.7
101.02311	8.7
103.00234	4.8
107.08529	11.9
109.02843	0.7
111.04406	0.6
113.02329	6.9
115.00257	0.7
119.03364	5.5
123.08025	0.6
125.02338	2.2
125.64648	0.6
128.03423	1.7
131.03421	2.2
133.06502	1.4
137.02306	0.9
139.03854	1.5
139.07573	1.8
143.03378	0.7
145.06165	0.7
149.04445	0.6
149.09622	1.7
151.07536	41.2
152.07886	1.1
155.03380	0.7
161.04440	3.0
165.01868	0.6
167.03358	1.0
169.08592	5.6
171.47760	0.6
173.04488	0.8
179.05597	2.4
181.08629	0.9
191.05626	0.8
192.39027	0.9
193.08730	2.3
195.06557	10.0
207.73514	0.6
209.04512	1.4
211.04216	1.1
211.09755	1.0
213.07619	4.5
219.13867	0.8
223.09956	0.8
237.07700	0.9
237.14972	1.6
251.05722	1.8
255.08746	10.6
266.38315	0.6
269.10437	2.0
281.06653	1.1
281.13934	8.4
311.07593	0.8
313.13132	2.2
315.08820	1.2
340.70938	0.8
375.13324	2.3
401.14581	7.8
402.64136	0.7
403.16260	1.1
417.14261	0.9
419.61093	0.8
427.53186	0.7
461.20682	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	461.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	36.0
61.98687	35.2
63.64684	17.7
64.36056	25.6
66.17081	17.6
68.95976	18.7
71.79115	21.1
72.80360	17.2
103.04740	22.0
104.04198	22.8
109.02824	64.7
113.02326	57.8
125.02306	70.9
133.02808	37.4
151.00301	93.8
153.01845	63.9
167.03259	27.7
177.05684	25.9
178.02641	54.9
180.55519	27.3
188.62398	27.7
210.95935	55.7
367.14102	100.0
401.20013	63.5
423.12677	33.9
461.12775	29.3
482.80405	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13065	0.8
53.67412	0.8
57.03311	0.9
58.22169	0.8
59.00051	0.9
59.01241	64.8
66.17913	0.8
68.55640	0.7
69.03314	6.8
71.01239	65.9
71.39387	0.8
72.01583	1.0
72.99168	3.0
73.02808	10.8
75.00719	3.1
81.03318	4.0
81.81174	0.9
83.01242	5.1
83.73175	1.1
85.02802	7.8
87.00729	2.5
89.00110	1.6
89.02296	100.0
95.01241	2.8
96.95882	11.7
97.02808	9.9
98.18734	0.9
99.00739	16.7
99.04379	2.3
101.02303	16.0
109.02816	1.6
111.00734	2.3
113.02317	8.2
115.03868	8.3
117.01868	1.0
119.03368	2.5
121.02816	3.7
122.03586	6.4
125.02314	50.0
127.03924	1.3
131.03391	12.0
136.01561	1.3
137.02290	3.3
143.03365	3.5
149.04453	16.1
152.04678	61.8
153.01846	1.6
161.04468	2.3
167.01582	1.5
167.03447	1.3
167.07036	30.8
167.08447	1.5
173.04439	1.2
178.99733	1.4
191.03877	1.4
191.05507	9.1
233.06639	42.4
234.06955	1.3
241.00258	7.5
255.03415	1.3
277.12061	1.0
293.08792	38.3
297.57974	1.1
355.48108	1.0
368.61252	1.2
381.17987	2.0
461.16733	3.6
462.01913	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19550	0.9
55.01748	2.0
57.03300	2.2
59.01242	36.3
71.01238	41.8
72.99163	1.5
73.02803	17.4
73.99372	0.8
80.92034	0.9
81.32526	0.9
83.01231	8.1
85.02805	24.5
87.00737	2.7
89.02297	8.9
95.01258	2.0
96.95872	4.7
97.02801	1.8
99.00740	7.9
101.02300	42.2
107.88091	0.9
109.02796	2.0
111.00736	0.8
113.02305	22.2
116.92723	0.8
125.02323	3.3
128.11026	0.8
129.01863	1.0
131.03358	1.8
136.48456	0.8
143.03381	2.6
149.04462	1.3
153.01839	1.1
159.02885	6.2
159.85382	0.8
161.04442	29.4
167.03409	0.9
168.95393	0.9
173.04477	0.9
175.03958	0.9
219.02890	0.9
269.10315	100.0
270.10712	2.8
300.26852	0.9
401.14563	63.4
402.14664	2.7
425.20212	2.0
461.08932	6.3
461.19006	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	461.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.8
58.00462	0.8
59.00103	0.6
59.01242	42.2
59.02517	0.5
61.84024	0.2
62.86188	0.2
68.99673	0.4
69.03314	0.9
70.99740	0.5
71.01238	36.6
71.02916	0.5
72.01574	0.4
72.99168	1.5
73.02803	12.5
75.00742	0.4
81.03322	1.1
81.32509	0.3
83.01237	7.2
84.52483	0.3
85.02805	15.8
85.99958	0.5
87.00723	2.0
89.02296	22.3
89.04702	0.3
95.01232	1.5
96.95876	0.7
97.02808	2.0
99.00733	5.0
101.02301	33.7
101.05145	0.4
107.04847	0.3
109.02825	0.7
111.00743	5.3
113.02303	13.3
115.03878	1.4
119.03369	0.6
125.02324	3.9
128.01031	0.4
129.01805	1.1
131.03375	12.3
139.03914	0.7
143.03380	2.9
149.04443	6.5
153.01804	0.4
155.03406	0.3
155.29024	0.4
159.02870	2.6
161.04449	11.6
183.02864	0.4
191.05614	1.3
211.63329	0.4
233.06596	3.4
251.09367	0.4
269.10309	26.3
270.10620	1.3
290.99738	0.3
293.08740	2.4
307.01428	0.3
401.14551	100.0
402.14883	5.3
407.05942	0.4
428.15744	0.4
461.16422	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.0
58.00463	1.2
58.47589	0.8
59.01244	65.7
59.02453	1.1
69.03319	3.4
71.01241	56.8
71.02841	1.1
71.04897	4.7
72.05167	0.9
72.99165	17.3
73.02799	6.2
81.03322	3.9
83.01243	3.4
85.02807	8.9
87.00745	2.0
89.02298	83.2
89.04574	1.0
92.24122	0.9
93.03317	3.9
95.01247	1.7
95.55833	0.9
96.95871	2.7
97.02798	6.0
97.06467	0.8
99.04381	2.0
101.02306	13.5
102.29760	0.8
107.04890	19.8
109.02833	2.0
109.06398	0.8
111.00761	3.3
111.04412	2.2
113.02319	11.2
115.03873	1.6
119.03385	3.9
119.04874	1.2
120.87498	0.8
123.04409	1.0
123.08029	3.3
123.76155	0.8
125.02324	18.7
125.03226	1.5
131.03384	18.7
131.04347	1.0
133.06512	1.5
135.08032	2.1
137.02296	1.2
137.09589	1.0
143.03377	1.5
147.08078	1.4
149.04456	30.2
149.05682	1.1
159.04451	2.5
167.03368	1.0
173.04471	12.6
177.05453	1.4
177.12785	1.6
178.99771	3.0
188.97035	0.9
191.03857	1.2
191.05553	6.7
191.07024	1.3
195.06572	1.2
197.13351	1.2
201.12891	1.7
203.03471	1.6
213.12785	2.1
214.06364	2.3
219.13940	1.4
231.13969	1.4
232.11032	3.5
233.06657	2.7
233.15533	1.7
237.14970	1.3
241.00056	1.0
243.13852	2.4
243.16182	1.0
245.01030	1.0
249.11418	1.3
255.16054	2.5
257.11890	1.2
261.15085	3.0
276.10138	1.9
281.14026	1.3
287.12332	1.2
287.15308	5.7
293.08807	56.0
294.09326	2.3
295.15475	1.7
298.95724	1.0
299.15009	13.8
303.80402	1.3
305.13947	1.5
321.13608	1.9
323.15186	1.1
349.13065	5.3
367.14023	19.1
377.12546	1.0
379.13895	4.0
395.13498	12.8
397.14380	1.2
401.14545	3.2
423.13016	100.0
424.13486	8.4
425.13599	12.7
461.10602	28.6
461.20660	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	461.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51868	1.3
57.03308	4.9
59.01244	89.9
61.83201	1.5
71.00869	2.7
71.01240	37.7
71.04868	2.1
72.99151	4.0
73.02803	7.9
79.27800	1.7
83.01230	3.5
85.02818	10.4
85.63416	1.9
87.00735	4.2
89.02303	37.9
91.72699	2.0
93.03326	6.3
95.01248	2.0
96.95857	4.8
97.02814	4.0
99.00723	3.5
99.04356	3.2
101.02316	27.6
109.02804	8.0
111.04408	4.1
113.02296	19.3
115.03885	22.8
119.03369	21.8
120.01141	2.0
125.02322	3.0
125.09554	5.1
131.03351	3.1
135.04399	2.3
137.02365	2.0
143.03383	2.6
145.41153	1.9
153.01788	7.7
155.03389	3.4
161.04453	4.5
167.03365	2.1
171.10210	4.0
173.04445	21.6
179.05482	7.4
191.05487	2.1
201.11232	4.9
215.03447	3.7
219.13904	6.9
223.13176	2.7
225.14868	16.3
237.14891	3.7
243.02878	5.5
243.16100	3.7
269.02646	7.9
269.13916	2.4
281.14117	3.4
287.01859	13.6
287.15021	100.0
293.08984	3.0
299.59042	2.0
313.01666	4.4
333.83441	2.0
371.54556	2.1
387.20306	27.8
399.20059	10.0
401.14487	3.8
423.12851	5.8
425.14313	6.3
461.05185	20.8
461.20248	79.7
462.20624	4.6
462.27197	2.1
488.15988	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	2.3
57.70111	0.6
59.01242	34.3
59.24118	0.6
66.54764	1.2
66.55083	0.9
67.01743	5.1
69.03313	2.3
71.01238	35.4
72.98775	1.1
72.99165	9.6
73.02445	1.2
73.02807	11.0
75.00726	1.9
81.03315	1.7
83.01237	3.7
83.04849	1.1
85.02804	11.9
87.00723	2.8
89.02301	20.2
93.03316	49.3
95.01242	1.9
96.95863	4.0
97.02802	3.3
98.49720	0.9
99.00744	6.0
101.02299	23.3
107.17397	0.9
109.02847	4.3
111.00706	1.7
111.04382	6.9
113.02311	13.0
115.03870	7.7
119.03377	3.7
125.02310	4.6
125.46654	0.9
128.03383	1.3
131.03369	3.7
135.04344	1.1
137.02321	56.7
137.05969	1.1
138.02750	1.3
143.03394	2.5
146.07216	1.0
149.04428	2.4
149.06004	0.9
153.01836	1.3
155.03378	8.2
159.02907	1.9
161.04442	11.5
164.98154	2.3
166.02722	1.2
171.10083	2.0
173.04463	98.6
174.04826	1.3
177.01895	1.7
177.05536	1.8
182.99213	1.0
186.15182	1.1
191.05484	3.3
201.11150	1.8
216.23189	0.9
225.14897	3.4
233.06599	1.8
243.15910	1.1
255.06674	1.1
287.01959	1.9
287.09399	11.4
287.14987	32.1
287.18246	1.7
293.08786	2.5
305.16071	1.5
329.12396	1.4
329.16138	17.5
330.16568	1.1
351.05081	1.6
351.14548	1.8
381.08109	3.6
399.08920	1.5
417.06027	1.8
425.14377	6.4
461.09280	2.9
461.20306	100.0
462.20688	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	461.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70229	0.3
51.49030	0.5
55.08787	0.4
57.03360	1.1
59.01250	2.9
61.98735	0.5
67.02692	0.4
69.03303	2.0
71.01295	1.3
72.99165	6.2
73.02844	1.1
73.06235	0.3
74.63681	0.4
80.35653	0.4
81.03377	1.3
83.04915	0.7
85.02876	1.6
89.02355	1.2
92.88893	0.3
93.03360	0.4
95.89929	0.7
95.90459	0.5
96.95969	0.5
97.02818	3.7
98.39288	0.5
99.04439	0.8
99.08044	0.8
100.58068	0.4
101.02372	0.8
107.04934	0.7
108.02099	0.8
109.02876	1.5
111.04401	0.8
113.02306	16.7
114.02676	0.7
119.04940	0.4
121.02857	0.8
124.01531	8.2
125.02316	21.8
126.02707	0.9
127.02806	0.5
127.04024	0.4
135.04395	5.3
137.02336	3.9
138.03102	2.4
139.03888	7.4
139.11224	0.6
141.01817	2.2
143.03423	0.5
145.02881	0.6
145.06535	0.6
147.04402	0.5
147.08124	1.0
149.06030	1.3
149.09630	0.4
150.03139	4.8
150.04146	0.5
151.03902	3.4
161.02324	0.7
161.04630	0.6
161.06113	0.7
162.03177	0.7
163.03908	0.6
164.04738	0.6
165.05461	3.5
165.12805	0.6
167.03510	0.5
171.04451	0.6
174.03214	0.9
175.03889	3.5
176.04669	0.5
177.01897	0.6
177.05554	1.4
179.03429	3.3
179.05592	0.6
179.10808	1.0
187.03995	0.5
188.04826	1.2
189.05508	4.2
190.06375	1.1
191.07240	0.7
201.05602	1.7
202.06313	0.7
203.03380	0.5
203.07181	1.0
205.08757	1.1
205.12363	0.9
213.12903	0.5
215.14330	1.1
217.05017	0.7
217.08730	0.5
217.15144	0.5
225.05635	0.9
227.07028	0.5
229.05139	0.5
231.06656	0.6
231.10284	0.7
231.13841	4.5
232.11209	1.0
237.09299	0.6
241.08568	0.4
243.06592	0.6
243.13858	0.9
245.08301	0.5
245.11804	0.6
253.05055	2.9
253.08777	0.8
255.10385	1.6
257.08353	0.6
259.09769	1.0
261.15060	1.6
263.12946	0.5
264.04297	0.4
265.08749	0.8
267.06674	0.5
268.07471	0.9
269.08197	1.0
271.09842	1.6
273.11346	8.2
273.14246	0.5
274.12076	3.0
281.04556	4.6
282.05356	2.3
283.06528	0.7
283.09772	5.8
284.10577	0.7
285.11377	0.9
286.12204	1.0
287.12930	2.4
289.14459	4.3
299.12860	0.6
301.10840	3.2
301.14252	0.8
302.11600	1.3
305.14063	1.2
311.06610	0.4
317.14163	0.8
339.15933	0.9
343.11981	1.0
349.13098	1.6
350.15332	0.6
351.14761	1.6
357.17078	1.0
367.13986	29.9
368.14810	1.8
369.14484	2.3
383.18851	2.4
385.16611	0.8
386.17374	20.7
387.17545	0.9
395.13440	3.3
401.19708	100.0
402.20068	4.9
423.12964	11.8
424.13190	0.9
425.13660	1.6
425.19025	0.6
461.04953	1.9
461.21802	18.7
462.22137	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	3.3
59.01243	8.7
61.98692	8.5
68.36442	1.0
69.03309	6.5
71.01223	4.9
71.04876	1.9
71.92773	0.8
72.99165	26.2
73.02814	4.9
74.77496	1.1
74.99599	1.0
81.03309	1.5
83.01246	1.3
83.04892	1.1
85.02812	6.8
85.05608	0.9
85.08984	0.9
87.00737	1.4
89.02305	1.0
93.03316	1.3
96.95884	3.7
97.02803	11.2
99.04384	2.1
101.01727	1.0
101.02293	5.3
105.65333	0.9
109.02777	5.5
113.02304	52.1
113.73000	1.1
114.02650	2.2
115.02731	1.1
119.04885	2.2
121.02831	2.0
123.00755	1.3
123.04300	1.2
124.01499	5.2
125.02312	60.2
126.02650	2.3
127.08022	1.0
133.02803	3.0
134.11166	1.0
135.04390	5.7
137.02312	4.9
138.03110	3.5
139.03877	4.0
139.40929	1.0
141.01801	7.4
143.03351	2.9
147.04372	2.2
147.07974	1.1
149.05971	4.6
150.03131	2.5
151.03923	2.0
151.11137	1.8
152.01068	2.6
153.01846	2.0
160.05121	1.1
161.04498	3.0
165.05380	2.1
167.03418	1.3
173.05984	1.1
174.03059	3.7
175.03937	5.2
177.01878	1.2
177.05515	4.6
179.03444	3.5
179.10741	2.9
181.12315	1.3
187.61603	1.3
189.05515	4.2
190.06274	1.2
193.12466	1.1
201.05484	2.5
204.11598	1.5
205.08807	1.1
205.95137	1.1
213.05672	1.3
215.14220	2.0
218.06030	1.2
225.05487	1.5
231.06726	1.0
231.10286	2.0
231.13853	2.2
232.11063	3.6
233.15430	1.8
237.05528	1.6
243.06888	1.4
243.10072	1.7
243.13910	3.6
249.11308	1.7
253.05011	2.1
255.10313	1.2
257.08347	1.2
259.13474	1.7
261.14972	2.8
263.12845	1.9
268.07349	1.5
271.09793	1.8
273.11337	9.7
274.12085	3.0
275.12842	1.8
279.03168	1.3
280.03845	1.4
281.04581	4.0
281.07596	1.4
282.05313	1.7
282.08652	1.1
283.06128	3.6
283.09723	3.3
285.11301	3.0
286.11978	2.0
287.12955	4.0
289.14484	5.4
299.09363	1.3
299.12814	1.8
301.10944	2.2
305.13934	3.2
309.04077	2.1
315.18213	6.4
323.14755	1.3
343.11160	1.2
349.12848	4.9
351.14487	3.7
367.13989	94.2
368.14108	7.0
369.14072	9.3
371.64691	1.3
385.16840	1.2
386.17386	20.4
395.13599	9.3
397.14792	1.3
398.17529	6.2
401.19711	100.0
402.20346	6.4
413.19714	20.5
417.10181	1.6
423.12869	42.7
424.13367	3.3
425.14178	7.8
443.20938	1.2
461.12314	6.5
461.22192	15.4
465.66080	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.3
57.03315	3.2
59.00177	0.6
59.01243	30.5
59.02423	0.5
61.98684	1.6
69.03308	1.6
71.01239	44.2
71.02809	0.9
71.74982	0.5
72.01585	0.6
72.99166	14.4
73.02803	22.1
73.99494	1.4
74.99590	2.4
75.00736	1.0
81.03315	0.7
83.01242	14.7
83.04901	0.5
84.16479	0.5
85.02806	25.0
87.00734	2.3
87.04332	0.8
89.02300	6.2
94.45953	1.0
94.46483	0.9
95.01245	2.4
96.95864	0.5
97.02815	3.3
99.00741	7.8
101.02301	57.5
103.03876	3.0
109.02850	1.1
111.00754	1.0
113.02305	28.8
115.03854	1.0
119.03336	0.7
125.02309	9.6
126.02677	0.7
127.03875	0.9
129.01816	0.8
140.69229	0.5
141.01819	1.3
143.03348	2.8
144.94965	0.6
145.04935	1.3
149.05943	3.2
153.12764	1.5
159.02887	5.8
161.04449	29.2
162.04805	0.6
163.06026	2.5
166.02621	0.7
177.05513	5.2
186.35588	0.6
193.04990	0.7
213.05533	0.6
215.14307	0.7
229.07043	1.2
233.15385	1.0
243.13914	2.0
247.08324	0.9
261.15033	0.7
271.48004	0.7
281.00891	2.8
287.12936	2.1
289.14398	0.8
305.13736	1.7
315.18155	80.6
316.18463	3.0
323.14944	0.7
349.12683	2.1
351.14502	8.6
352.14990	1.0
356.93152	0.6
359.17126	1.1
367.13986	17.0
368.14285	1.4
369.14505	1.7
383.73877	0.6
395.13376	1.7
423.12830	13.9
424.13324	1.4
425.14417	5.9
461.23950	100.0
462.24200	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	461.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19639	0.5
55.26467	0.5
73.54034	0.5
80.73383	0.5
84.50411	0.7
84.65305	0.6
95.04874	0.5
100.96848	0.6
119.04821	0.7
123.04327	0.9
131.04857	1.7
136.05157	0.6
146.03592	2.5
147.04398	8.1
149.05962	3.5
155.99162	0.6
159.04413	0.6
160.01491	1.2
160.05153	0.6
172.05107	1.0
173.02325	0.9
174.03136	7.1
175.03897	6.5
185.05991	0.8
187.03871	0.7
187.11147	1.1
188.04691	2.1
189.09105	1.5
200.08328	1.1
201.01904	1.1
203.10674	1.3
213.09128	2.3
215.10721	6.4
216.04242	6.2
216.07774	0.7
217.04889	0.8
231.10255	10.3
231.12381	0.5
243.10500	0.6
244.07402	1.4
259.09763	100.0
260.10275	3.7
359.20148	0.8
366.18176	1.2
367.14252	0.9
377.21097	0.8
443.25989	0.8
461.27039	31.4
462.27319	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.4
61.98690	1.3
99.38673	1.4
105.03324	3.4
105.07419	1.4
125.02450	1.7
133.02821	15.4
159.04422	3.1
160.05177	1.7
177.01848	2.1
188.04747	2.9
203.10732	15.8
231.10239	48.3
259.09766	100.0
260.10089	3.5
267.23438	7.4
353.69754	1.9
446.26904	8.9
461.29095	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	461.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76791	0.2
59.00120	1.7
59.01242	100.0
59.02534	1.4
60.01571	0.3
61.98694	1.0
87.00716	0.3
122.95404	0.2
130.37747	0.2
200.22084	0.2
261.22269	0.2
267.19650	1.9
285.20673	1.0
327.21756	4.8
327.25351	0.3
461.25595	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99867	0.7
59.00205	1.2
59.01241	100.0
59.02406	2.0
60.01583	0.6
73.51803	0.2
76.76237	0.2
78.95790	0.2
82.26672	0.2
89.25226	0.2
96.77089	0.2
100.89768	0.2
100.90440	0.2
108.42445	0.2
117.03380	0.3
121.02858	0.8
209.04579	0.5
260.36887	0.2
267.19638	1.6
285.20724	1.2
327.21783	4.5
328.22372	0.3
329.40057	0.2
461.25775	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48587	0.2
51.75906	0.4
52.34940	0.6
53.75975	0.2
58.99413	0.2
59.53907	0.8
59.54220	0.5
62.53610	0.3
70.81695	0.3
73.33908	0.3
78.95763	4.7
79.44979	0.3
80.96188	0.8
95.14609	0.3
96.62186	0.3
96.96819	0.6
116.73981	0.3
116.92712	1.0
117.00111	0.4
117.03329	31.9
118.04134	6.2
119.01572	0.5
119.04895	36.0
120.05241	0.5
121.02823	9.5
123.04384	3.0
133.02837	2.1
134.03644	0.8
144.98402	0.8
145.02837	62.2
146.03195	1.3
152.99489	7.1
153.99796	1.7
154.99890	2.2
162.03099	3.5
163.03911	13.3
171.00552	0.5
187.89145	0.3
276.16727	0.3
279.23260	0.3
405.44485	0.3
443.15646	0.3
461.29141	100.0
462.29379	3.0
471.72235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98837	0.2
51.75898	0.3
52.34929	0.4
55.85508	0.2
58.13935	0.2
58.82485	0.3
59.01250	0.3
59.53894	0.8
59.54179	0.4
67.94796	0.2
72.50677	0.2
78.95766	4.0
79.16606	0.2
79.49105	0.2
80.96198	0.4
82.27224	0.3
89.36897	0.3
91.72598	0.3
93.03320	0.3
95.02520	0.2
96.62199	0.4
96.96844	0.3
99.92446	0.5
116.92735	2.9
116.99635	0.4
117.03329	36.5
118.04128	5.3
119.04893	40.7
119.08326	0.6
120.05214	0.5
121.02821	10.3
123.04391	2.9
133.02844	3.2
134.03589	0.9
140.03087	0.3
145.02840	66.3
145.07457	0.8
146.03152	1.1
152.99481	5.1
153.99837	0.8
154.99925	1.4
162.03127	3.7
162.06796	1.3
163.03908	14.4
177.09079	1.2
240.39635	0.3
249.55710	0.3
279.23331	0.4
317.24445	0.3
361.23904	0.7
363.24466	0.6
381.10855	0.2
389.26849	0.3
423.10364	1.2
425.10190	0.8
443.15363	0.8
461.29141	100.0
462.29532	2.9
475.11032	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3276
Annotation	Stoloniferone T
Peak:m/z	Relative Intensity
52.60814	1.1
57.94556	1.1
59.01228	3.2
59.27050	1.1
63.46577	1.2
70.91385	1.2
78.95764	2.9
81.03315	100.0
85.92758	1.6
93.06964	5.1
95.04897	4.1
97.06453	3.4
106.51978	2.0
121.06352	1.5
135.08031	22.3
137.09605	14.5
147.02380	1.5
152.99472	4.2
156.58464	1.4
179.07056	10.1
179.10669	7.6
240.14162	1.9
340.86850	1.8
417.30011	3.2
425.11765	2.2
461.32803	94.4
462.33209	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	461.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09265	1.2
55.40995	1.0
57.03318	1.6
59.01232	1.8
60.49817	0.9
61.74488	0.9
64.37801	1.1
65.86198	1.0
72.18967	1.1
78.95786	1.9
81.01096	1.5
81.01537	1.7
81.03315	100.0
81.05289	1.6
82.03639	1.3
83.01212	1.4
93.06970	5.4
95.04893	3.2
97.06451	3.7
106.04117	1.3
109.06413	1.1
124.08302	1.2
125.02306	1.4
135.08044	15.9
137.09599	13.1
152.99466	3.2
162.06737	2.5
177.09128	3.3
179.07063	9.4
179.10725	6.1
194.63635	1.2
240.14001	1.6
260.59396	1.2
363.25339	2.0
380.86243	1.3
417.29636	2.6
424.95248	1.3
461.32748	78.5
462.33160	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	462.152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13551	1.8
70.59000	1.7
72.00745	3.0
74.98419	1.8
75.59911	2.1
77.42760	1.9
80.03640	2.3
80.91551	2.1
81.04409	4.2
82.60267	2.1
85.35088	2.0
93.04427	8.5
96.95860	7.1
99.08022	9.9
101.05963	6.3
107.04858	3.5
108.05547	21.1
110.07092	22.2
116.04926	3.0
118.04023	3.1
120.05531	3.7
121.02901	2.6
124.15385	2.3
125.02300	4.9
128.03441	3.1
132.04401	6.0
133.05174	2.5
134.03531	5.7
136.03923	6.6
136.05083	10.7
137.02319	2.5
147.11667	4.3
148.05147	3.5
154.06117	4.0
159.02867	2.4
160.03917	4.0
161.04721	13.9
163.11172	27.3
165.12720	15.8
166.06123	20.8
173.05896	2.6
175.11108	5.9
178.09935	3.3
191.10799	3.6
193.12276	61.0
200.10672	2.8
210.05133	12.7
217.01326	3.7
218.11803	23.4
228.11388	3.0
232.13333	2.9
236.12878	54.3
248.88245	2.3
255.10120	22.1
265.06317	2.5
287.09082	2.5
312.17203	86.4
315.05243	5.3
330.18253	95.2
356.16144	17.1
374.17203	20.3
400.15222	11.9
418.16254	8.2
462.15213	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0674
Annotation	11-O-Demethylpradinone I
Peak:m/z	Relative Intensity
53.69253	0.2
56.87359	0.2
58.13179	0.2
59.01237	1.4
65.04340	0.2
67.01731	0.6
71.01234	0.8
73.69183	0.2
80.84473	0.3
85.02786	0.3
87.00738	0.5
89.02268	0.3
91.72792	0.3
93.03299	2.1
93.61301	0.3
95.01231	0.5
96.95863	1.9
98.95468	0.3
101.02312	0.6
106.04118	2.5
107.04888	18.0
107.07764	0.3
108.02018	1.3
109.02818	7.9
110.03220	0.2
110.53373	0.2
113.02331	0.2
121.02772	0.2
135.04376	0.4
137.02341	0.3
144.29533	0.3
149.02371	0.5
150.03110	1.0
151.03886	0.4
161.04434	0.4
169.06522	0.7
182.02132	0.6
183.08052	0.4
187.35477	0.2
193.06516	0.4
195.04672	0.4
195.08098	0.5
196.05229	0.4
197.06004	1.9
199.57289	0.3
209.06097	1.7
210.06824	0.6
211.07617	1.6
213.09158	7.3
219.04573	0.5
220.05174	0.5
221.05959	0.6
222.06790	0.6
223.07628	0.8
225.05539	3.3
235.07524	0.3
236.04649	0.3
237.05548	7.0
238.06331	3.4
239.07115	7.6
248.04774	0.5
249.05481	1.1
257.08188	22.6
258.08463	0.7
259.07489	0.3
264.04428	0.4
265.05121	1.3
266.05902	1.0
267.06610	7.0
268.07001	0.6
270.10608	0.3
273.09137	0.5
275.07156	0.3
281.04544	0.7
282.05298	0.4
283.05859	0.5
283.07425	0.3
285.08841	0.4
286.06400	1.0
287.07086	1.0
289.08878	0.3
290.20624	0.3
291.10184	0.4
299.07193	1.0
300.07828	0.5
301.08835	1.7
303.06540	0.5
304.07492	0.4
310.05762	0.4
311.05377	2.4
312.08002	0.4
313.08600	0.3
314.05890	0.4
317.08261	0.6
319.09735	1.0
327.06558	1.3
328.07520	0.9
329.08081	1.9
331.09613	0.3
338.05859	0.5
339.06732	1.5
340.07364	1.0
345.07663	0.4
347.09366	3.8
347.13428	0.5
348.09647	0.4
355.06003	2.0
356.06876	0.8
357.07718	23.1
358.07947	1.7
373.07092	1.1
375.08804	4.3
391.08301	3.5
392.08945	0.3
401.06665	12.5
402.07019	0.7
419.07782	100.0
420.08130	6.5
420.13733	0.2
426.21161	0.3
463.06766	10.2
463.12604	3.7
463.22250	0.7
464.06830	0.8
464.12619	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.9
61.69880	1.5
61.98709	3.5
67.01749	1.1
72.99166	1.3
80.17910	0.8
80.57226	0.9
81.03329	4.8
84.94958	1.1
93.03316	1.1
95.01311	1.4
95.04980	1.5
96.95882	1.4
97.81740	1.0
105.03356	2.1
105.08234	0.9
107.01270	2.5
108.02065	3.7
109.02818	71.5
113.02351	1.0
121.02879	4.1
123.00754	2.2
125.02337	5.4
133.02849	18.9
134.03674	1.4
135.04399	39.9
137.02336	2.4
147.00871	1.8
149.02373	4.5
150.03133	1.2
151.00256	20.0
152.01108	4.3
153.01828	100.0
161.73544	1.0
164.04857	1.3
177.01863	11.3
178.02707	1.6
179.03412	47.1
180.03773	1.3
185.02449	1.2
193.05093	1.6
196.03636	1.7
200.04688	1.2
211.04089	2.0
213.05722	4.2
214.02715	1.9
217.00400	1.3
221.06163	4.2
227.03413	8.5
237.05603	1.6
239.03571	3.0
239.07230	1.4
241.05009	1.3
242.02356	1.1
249.05721	2.3
255.03076	2.4
256.03745	7.8
257.04694	3.8
265.05273	2.3
266.05957	1.2
267.06671	2.1
270.02042	1.5
270.05536	5.6
279.02951	1.7
283.02701	3.1
283.06079	1.6
284.03345	1.2
285.03995	9.9
302.04495	2.9
309.04086	2.3
311.05643	24.1
315.06894	1.4
319.03033	1.2
319.06412	2.8
330.05261	1.3
331.06189	2.6
333.07898	1.8
343.06494	1.4
347.05954	3.1
358.05106	2.2
359.05753	2.8
369.14597	1.2
371.05661	2.4
373.07507	2.2
374.04648	1.9
375.04968	5.3
387.05212	5.0
389.07111	4.5
390.07596	9.0
391.08359	1.6
392.45465	1.1
401.06784	1.7
402.03427	1.7
403.04715	2.4
403.21738	2.8
405.10388	1.2
415.04926	3.8
417.06360	3.6
418.07242	2.9
419.08060	3.1
430.07370	4.6
433.09305	19.7
433.14285	1.6
445.09705	4.0
463.10760	82.5
464.11139	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	463.0676
Annotation	Pradimicin Q
Peak:m/z	Relative Intensity
52.61612	0.5
52.85536	0.4
54.49418	0.5
57.03300	1.2
59.01242	33.5
59.02492	0.7
62.86478	0.6
69.03310	1.1
70.99738	0.6
71.01238	29.0
72.99162	3.9
73.02809	10.5
74.98949	2.1
75.00739	0.7
81.03293	1.1
83.01241	3.5
85.02800	6.7
87.00714	2.2
89.02298	44.9
89.04617	0.9
93.03315	0.7
95.01233	1.1
96.95882	0.6
97.02800	2.7
99.00742	12.4
99.04379	0.8
101.02303	27.1
108.02046	1.2
109.02817	9.8
113.02300	10.2
115.03892	1.7
119.03339	6.0
121.02776	1.0
123.04372	2.3
125.02304	5.5
125.11079	0.6
131.03358	6.5
133.02803	1.2
135.04402	3.6
136.99023	3.1
137.02332	2.0
138.47879	0.7
142.72420	0.7
143.03360	2.6
145.02847	2.4
146.03613	1.6
147.04387	0.9
149.02393	2.1
149.04442	27.2
151.03883	1.7
153.01743	0.7
158.03575	1.3
159.02927	1.3
159.04369	1.3
161.02371	3.4
161.04448	7.2
169.12260	1.2
174.03120	3.6
175.03928	2.5
176.01074	0.7
177.01819	1.2
177.05499	1.1
179.03426	2.0
179.05577	1.4
179.60570	0.6
183.04462	1.3
185.02383	2.4
185.05962	0.9
186.03136	4.7
187.03944	1.8
190.02664	1.5
191.05531	6.4
196.54355	0.6
199.03929	1.8
199.67148	0.8
200.04622	1.4
202.02652	8.1
203.07117	1.6
205.05037	1.0
209.06129	0.9
211.04012	2.1
212.04636	0.7
213.01866	2.6
214.02724	7.9
215.03340	1.1
215.07191	0.9
217.01450	1.4
218.02194	2.0
221.06590	2.9
225.05435	0.7
226.02727	0.9
227.03415	5.3
228.04236	1.3
233.06625	2.0
236.04776	1.2
237.05566	1.2
237.92348	0.8
239.03494	1.7
241.01387	1.6
241.04764	0.8
242.02199	13.1
243.02916	6.1
245.00903	6.1
245.08191	2.4
247.03961	4.8
251.03508	2.4
251.07724	4.6
253.04996	1.4
254.05989	0.7
255.03003	8.1
256.03723	7.1
257.04520	1.4
257.08200	0.8
258.01883	0.8
263.03644	1.2
264.04285	1.5
265.05075	2.2
266.05588	1.0
267.03049	5.0
267.06796	0.7
269.08224	0.8
271.02487	5.9
272.22098	0.7
279.03113	3.3
280.03787	1.5
281.04550	3.1
282.05154	1.4
282.31326	1.1
283.02545	9.4
284.03256	9.6
285.03928	2.0
288.02856	1.1
289.07086	8.6
291.03073	2.6
292.03778	1.5
293.08975	1.5
297.03845	0.8
299.07181	1.3
301.03433	3.1
301.06824	1.2
309.04111	2.9
310.04718	1.1
311.09995	1.6
317.08148	1.7
327.06644	2.0
331.17667	18.0
339.12335	0.9
343.06482	1.0
345.07635	2.1
351.14600	1.3
353.15363	0.7
355.06036	1.6
357.07983	0.8
366.04977	0.8
371.05475	1.8
373.07120	3.9
375.08685	1.7
383.05786	2.4
384.06470	1.1
400.05542	0.9
401.06668	11.8
401.11707	0.8
402.07205	0.8
403.10220	1.0
417.06223	3.0
419.07870	5.3
425.12357	6.0
427.04828	0.9
427.15878	2.2
445.05667	25.8
446.06586	1.0
463.06784	100.0
463.21893	56.0
464.07010	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	463.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51309	0.1
55.46666	0.1
59.01216	0.1
65.37040	0.2
65.99685	0.2
67.01736	0.3
69.03309	0.2
72.97366	0.5
73.63506	0.3
81.03307	1.5
81.15900	0.2
81.29461	0.1
82.10836	0.1
91.01739	0.4
92.78294	0.2
95.01221	0.6
97.02855	0.2
107.01258	1.2
108.02023	0.9
109.02811	13.1
109.06057	0.2
117.03316	0.8
121.02813	0.3
123.00719	0.5
125.02309	1.5
129.03326	0.3
132.02060	0.2
133.02841	3.0
134.97440	0.3
135.00694	0.2
145.02832	3.5
146.03613	0.8
147.04414	1.4
151.00240	2.2
152.00914	0.2
153.01825	9.0
153.07033	0.3
155.10632	0.2
157.02866	0.2
158.03549	0.2
161.02307	1.4
163.03929	2.1
165.06940	0.8
167.04887	0.5
169.06497	0.5
171.00838	0.4
172.01547	0.2
173.02345	1.7
174.03123	0.8
175.03949	0.4
176.01096	0.2
177.01797	0.2
179.03461	0.3
180.05672	1.3
181.02809	0.2
181.06505	3.0
182.03636	0.3
183.04460	0.7
191.04918	0.9
192.05730	0.3
193.06490	1.0
195.04407	0.9
196.05251	0.8
197.05984	2.4
198.06818	0.4
199.03944	0.2
200.01123	0.6
201.01794	0.2
207.04478	0.8
208.05258	3.1
209.06020	8.9
210.03093	0.2
210.06543	0.3
211.03986	1.3
211.07617	0.3
213.05542	0.2
219.04497	2.1
220.05219	0.8
221.06007	1.6
222.06741	0.2
223.03943	0.3
224.04703	1.8
225.05524	4.3
226.06281	0.5
227.06996	0.4
227.69371	0.2
235.03995	1.7
236.04750	1.5
237.05547	15.1
238.05959	0.7
239.03531	0.3
239.07146	0.5
243.03067	0.3
247.04001	1.9
248.04797	2.2
249.05571	0.3
250.06412	0.8
251.03526	0.4
252.04268	1.1
253.05052	8.4
254.05754	0.4
255.06636	0.5
263.03488	2.8
264.04251	2.4
265.05063	11.9
266.05789	2.6
267.06610	1.7
279.03281	0.2
280.03809	0.6
281.04556	40.3
282.05057	2.1
283.06018	0.9
291.03088	1.1
292.03845	0.6
308.03363	0.3
309.04056	100.0
310.04727	11.6
311.05621	12.2
312.05865	0.5
327.21780	0.6
368.13934	0.2
411.56970	0.2
419.07968	0.3
463.20456	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	463.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67321	0.2
59.01221	0.5
59.09343	0.2
64.34649	0.1
69.03287	0.2
71.01230	0.4
71.93523	0.1
72.99159	0.2
73.63517	0.3
76.95620	0.2
81.03312	0.8
81.15897	0.3
86.92428	0.2
88.03892	1.3
89.03802	0.2
91.01742	0.4
95.01265	0.3
97.02818	0.2
101.02279	0.2
107.01238	0.7
108.02029	1.1
109.02814	15.6
115.00214	0.3
117.03318	0.6
119.01192	0.2
123.00742	0.5
125.02309	1.4
129.03328	0.3
132.02017	0.3
132.02878	1.3
133.02826	2.3
135.00684	0.2
135.04395	5.6
137.02316	0.3
145.02838	3.5
146.03581	0.7
147.04396	1.1
148.01486	0.2
151.00279	1.4
151.88701	0.2
153.01817	10.7
153.07076	0.4
158.03662	0.4
159.04355	0.2
161.02376	0.9
163.03923	2.7
163.05247	0.3
165.06973	0.8
167.04941	0.8
169.06473	0.4
171.00801	0.3
172.01547	0.6
173.02361	1.8
174.03122	0.6
179.03426	5.5
179.04977	0.4
180.03951	0.3
180.05696	1.8
181.06517	3.0
182.03609	0.3
183.04347	1.0
185.06012	0.2
191.04941	1.2
192.05743	0.3
193.06577	1.1
195.04433	1.4
196.05200	0.5
197.06018	2.0
198.06677	0.2
199.00294	0.2
199.04054	0.2
200.01134	1.0
204.05775	0.2
207.04442	0.8
208.05232	3.0
209.06024	9.7
210.03107	0.5
210.06372	0.5
211.03944	1.7
213.05498	0.4
219.04460	3.1
220.05299	1.1
221.05981	1.3
223.03859	0.5
224.04726	1.4
225.05524	3.7
226.06233	0.5
227.03523	0.2
235.03970	2.2
236.04744	2.1
237.05548	17.6
238.02812	0.2
238.06036	1.0
239.03487	0.7
240.04208	0.9
241.05063	0.4
247.03972	2.1
248.04779	2.2
249.05595	0.4
250.06320	0.6
251.03679	0.4
252.04349	1.1
253.05052	7.9
254.05640	0.5
255.02994	0.7
255.06761	0.3
263.03488	3.2
264.04254	2.9
265.05063	11.1
266.05762	1.8
267.06631	0.8
279.03098	0.3
280.03796	0.7
281.04562	35.9
282.04910	2.0
283.02478	1.2
283.06107	0.5
284.03201	2.0
284.06036	0.2
291.03024	1.4
292.03772	0.6
308.03421	0.4
309.04059	100.0
310.04666	10.8
311.05588	6.4
312.05920	0.3
351.14786	0.3
369.14706	0.2
419.07840	0.2
425.14471	0.5
462.21417	0.6
463.14954	0.2
463.21576	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47401	0.1
55.71124	0.1
57.96793	0.1
59.01232	0.2
62.21794	0.1
63.02248	0.3
65.00184	0.7
66.87115	0.1
72.84009	0.1
73.05636	0.2
83.01241	0.6
84.15218	0.1
91.01706	0.1
91.73396	0.2
94.76862	0.3
94.77481	0.3
95.01275	0.1
97.14758	0.1
100.68949	0.1
103.63396	0.2
107.01241	2.2
107.57987	0.1
108.02039	0.1
109.02821	1.3
119.01247	0.3
123.00736	0.3
124.01521	3.2
125.02311	0.9
135.00740	0.7
136.01505	0.6
137.01302	0.3
137.02313	3.4
143.04933	0.3
148.01532	0.4
150.26703	0.2
151.00252	8.4
152.01053	1.3
155.67244	0.1
156.60725	0.1
156.74985	0.1
158.03622	0.4
161.02307	0.3
163.00275	1.8
164.01028	2.1
165.01852	0.7
169.01329	0.8
171.04370	0.2
173.02118	0.1
175.03857	0.5
177.01755	0.2
178.99770	8.5
180.00566	0.2
183.04422	0.2
185.02382	0.4
186.03239	0.2
187.03944	0.6
188.04739	0.3
189.01797	0.3
190.99789	0.3
192.00606	0.7
193.01349	0.4
198.03087	0.2
199.03964	0.7
201.01787	0.2
203.03442	1.0
204.04187	0.9
205.78096	0.1
213.01871	0.5
214.02660	8.2
215.03337	1.1
216.04002	0.2
217.01372	0.2
218.02190	0.1
219.02977	0.3
227.03412	1.4
231.02950	0.5
232.03764	0.9
241.01405	0.4
242.02185	5.9
243.02954	4.4
244.03642	0.4
245.04466	0.2
255.02931	0.3
259.02481	7.6
260.02841	0.5
261.04034	0.5
270.01706	7.2
270.04669	0.2
271.02487	41.8
271.13922	0.4
272.02765	1.5
287.01981	25.5
288.02597	2.4
289.03674	0.2
299.01990	0.6
315.01587	0.8
316.02237	100.0
316.16705	0.9
317.02945	21.0
318.03406	0.7
337.05618	0.2
357.00354	0.2
463.08847	69.5
464.09146	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	463.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73819	0.2
55.16561	0.2
59.01235	0.6
62.45789	0.3
62.55387	0.2
63.02243	0.2
64.24874	0.2
65.00175	0.7
68.96970	0.2
71.01229	0.4
73.02805	0.2
79.62913	0.2
83.01225	0.6
85.86493	0.2
89.02279	0.2
92.26689	0.4
92.27294	0.4
92.44165	0.3
93.03315	0.2
95.01331	0.2
107.01245	1.9
115.53171	0.2
116.04806	0.2
121.02783	0.4
124.01549	0.3
125.02299	0.4
125.67211	0.2
130.08635	0.2
137.02344	0.3
147.00797	0.2
147.04393	0.3
148.01563	0.8
149.02330	10.4
150.95372	0.2
150.99120	0.4
151.00269	6.1
159.04422	0.4
161.02325	0.4
163.00247	0.3
175.03920	0.3
177.01746	0.2
183.04495	0.5
187.03870	0.5
188.04829	0.4
191.03413	2.3
196.52696	0.2
199.03934	0.5
201.05557	0.3
202.02690	0.2
203.03465	0.7
211.03972	0.7
214.02750	0.3
215.03453	2.0
216.04109	0.5
217.01469	0.4
217.05045	0.2
227.03488	1.2
229.05125	0.3
230.01994	0.3
231.02945	0.5
233.04497	0.7
239.03510	1.1
243.02983	1.2
255.02940	1.9
256.03552	0.3
257.04416	0.6
259.02515	1.2
267.18842	0.2
269.00830	0.2
271.02490	2.3
272.03268	11.7
273.03775	0.6
283.02588	0.5
287.02008	1.6
299.02036	0.5
300.02765	47.0
300.89655	0.8
301.03537	100.0
302.03888	3.3
313.03467	0.3
315.01505	2.7
316.02133	0.7
330.03857	3.7
331.04630	1.8
343.04660	0.3
369.14529	0.3
425.13705	0.5
428.18292	0.7
463.08871	81.6
464.09137	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	463.0883
Annotation	6-Hydroxytricetin 5-rhamnoside
Peak:m/z	Relative Intensity
59.01231	4.9
59.45234	1.0
61.36625	1.1
63.02261	1.0
65.00176	2.6
74.82201	1.1
79.18964	1.1
83.01252	1.7
87.17683	1.0
87.91432	1.1
89.02270	2.1
95.01270	2.8
107.01250	5.0
108.02027	1.7
109.02803	7.6
109.99950	4.1
111.00746	3.4
123.00718	2.7
124.01533	4.8
125.02303	3.5
137.02321	2.9
137.99478	2.3
139.00298	6.3
142.13690	1.2
142.85056	1.4
149.02312	2.8
151.00249	16.3
152.01024	7.9
153.01813	2.1
159.04474	2.0
161.02371	1.4
163.00250	2.3
163.95639	1.2
164.01045	3.5
165.98936	4.1
166.99771	4.0
171.04385	2.3
175.03963	2.6
178.99785	11.4
183.04494	1.4
186.03206	2.2
187.03883	3.3
189.01900	2.2
199.03938	4.8
202.02588	1.7
203.03477	3.1
214.02670	2.1
215.03484	4.2
216.04198	1.8
217.05063	2.5
219.03099	1.8
222.89272	1.4
226.02692	2.3
227.03474	8.1
231.02951	3.5
241.01434	3.6
241.47102	1.4
242.02194	6.1
243.02936	13.1
244.03903	1.6
245.04417	1.5
255.03029	5.8
257.00903	1.5
259.02560	4.6
260.03201	1.9
270.01752	6.5
271.02496	48.8
272.03210	9.3
273.04077	8.3
287.01965	8.9
288.02698	8.0
289.03531	1.7
298.01132	2.9
299.01984	46.1
300.02658	5.8
301.03528	3.9
311.86816	1.4
315.01334	2.2
316.02231	61.1
317.03012	57.1
318.03293	1.6
445.07803	4.3
447.09268	4.3
463.08856	100.0
464.09232	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	463.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80583	0.6
56.75354	0.6
65.00169	0.8
67.88990	0.6
69.03316	0.7
72.99146	2.7
83.01229	1.3
90.72013	0.8
92.09599	1.3
92.10129	1.0
107.01238	2.7
108.02004	2.1
109.02804	1.8
121.02836	1.5
122.87841	0.8
123.04270	0.8
129.76045	0.8
131.66499	0.7
148.01491	2.1
151.00258	9.6
151.07500	2.1
163.00291	3.8
178.99768	4.7
179.07050	3.6
199.03947	1.3
211.03917	1.8
215.03314	1.1
226.02652	2.2
227.03416	3.3
239.44235	1.0
243.02969	12.7
254.02316	2.3
255.02966	27.8
255.05678	1.5
256.03348	1.1
271.02484	62.2
272.03113	2.7
273.03943	0.9
283.02646	1.6
291.16077	2.5
299.01898	1.9
300.02750	100.0
301.03531	52.5
301.07141	1.2
302.03839	2.4
309.16959	1.2
316.02136	0.9
317.13672	0.8
335.14880	3.9
353.16058	4.0
427.16110	8.8
463.08853	80.1
464.09241	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	463.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89639	0.4
57.03300	0.8
59.01244	17.5
61.98695	0.8
63.02243	1.6
64.65324	0.5
65.00163	1.1
69.03326	0.8
71.00874	0.9
71.01239	11.7
71.04842	0.4
72.99167	1.0
73.02800	3.6
75.13140	0.6
81.03304	0.6
83.01240	2.7
83.52865	0.5
84.98106	0.5
85.02383	0.4
85.02808	3.8
87.00735	6.0
88.03886	6.7
89.01764	0.7
89.02299	11.7
92.09565	0.9
92.10133	1.0
92.26687	1.2
92.27206	0.7
95.01244	0.7
96.95844	2.2
99.00723	1.6
101.02313	8.6
102.02643	0.5
107.01234	2.8
107.04875	1.2
109.02800	1.8
113.02309	3.9
115.00220	1.1
116.10019	0.5
119.03368	3.6
120.45964	0.5
121.02779	0.6
122.03539	0.6
123.00744	0.7
124.01492	0.7
125.02296	3.4
125.09586	2.1
131.03354	0.8
132.02881	3.7
134.03482	0.6
137.02237	0.6
148.01576	0.5
149.02319	4.9
149.04405	1.2
150.03119	1.9
150.58165	0.6
151.00270	7.2
152.01056	1.3
159.02884	0.5
161.02351	0.6
161.04437	2.0
165.05528	0.7
165.12743	4.5
167.03551	0.7
167.60664	0.5
173.04550	0.6
177.01816	0.8
179.05511	1.1
187.03954	0.9
191.03369	0.7
193.05038	1.0
193.08565	0.6
209.11798	1.5
210.65295	0.6
215.03496	2.0
216.04115	1.2
217.17754	0.5
227.03493	1.2
239.03516	0.7
239.12854	1.0
243.02933	1.3
253.10797	4.2
268.03235	0.8
271.02609	1.4
271.06082	1.2
272.03265	7.9
281.76901	0.6
283.02521	0.7
283.05847	0.7
283.11829	1.6
294.08923	0.6
295.09338	1.0
299.02063	0.8
300.02762	90.4
301.03540	62.7
302.03958	1.5
316.42062	0.7
327.12851	0.6
331.17438	2.6
343.04660	1.1
347.16989	0.7
462.19772	5.6
463.08875	100.0
463.21637	20.5
464.09341	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	463.1037
Annotation	Isohydnocarpin
Peak:m/z	Relative Intensity
53.66845	0.4
55.59151	0.4
59.01224	1.9
59.04247	0.8
61.18087	0.4
61.69853	1.2
61.70131	0.8
61.98681	0.6
62.48832	0.4
65.99700	1.7
67.01750	0.9
72.99142	0.5
74.74140	0.4
79.01733	0.4
81.03315	7.0
89.03829	0.6
91.01746	1.0
93.03304	0.7
95.01248	2.9
96.85536	0.5
96.95879	0.9
97.02792	1.0
105.03359	2.7
107.01237	3.0
108.02024	4.3
108.99535	0.8
109.02814	76.0
109.05788	1.2
110.03143	0.6
112.17670	0.5
121.02821	2.9
123.00764	3.1
125.02311	8.6
133.02827	18.2
134.03639	0.7
135.04402	29.8
136.04741	0.9
137.02332	2.3
147.00754	1.9
149.02353	6.5
150.03131	2.2
151.00259	24.5
151.03899	0.7
152.01048	6.2
153.01822	100.0
153.06709	1.3
154.02164	1.2
164.04698	1.9
165.05486	0.6
167.04924	1.2
171.04419	0.5
177.01845	12.7
177.03337	1.0
178.02589	1.6
179.03404	36.2
180.03786	1.2
183.04459	0.7
185.02316	0.7
185.06056	1.0
186.03175	0.6
192.04208	0.7
193.05019	1.1
193.06610	0.7
195.04430	0.6
195.08142	0.7
196.03725	2.1
197.06012	1.0
199.04245	0.7
200.04774	0.9
200.26717	0.5
211.03984	1.2
211.07626	1.1
213.01910	1.0
213.05571	3.8
214.02473	0.7
217.00285	1.5
221.06087	2.1
223.33519	0.5
226.02774	0.8
227.03452	10.0
228.04367	1.1
229.01547	0.6
237.05586	0.7
239.03487	1.0
239.07207	1.7
241.01471	0.5
241.05043	1.1
242.02176	0.7
249.05515	1.1
251.03458	1.5
255.02940	3.6
256.03760	7.8
257.04395	2.5
265.05078	2.1
265.25549	0.5
267.06677	1.0
269.04593	0.7
270.02365	0.9
270.05313	6.8
275.07245	1.0
278.02655	0.7
279.02853	2.4
283.02539	3.0
283.05975	1.2
284.03195	0.7
285.03995	9.0
285.06558	0.7
288.02621	2.4
291.06750	0.9
292.03900	0.8
293.04608	0.8
301.05441	0.7
302.04251	4.0
303.06619	1.9
306.70511	0.6
307.06116	1.1
309.04147	2.2
310.05051	0.6
311.05658	13.6
311.09085	1.0
313.05154	1.1
315.06647	0.9
318.05457	1.2
319.02795	0.9
319.05878	2.6
329.04691	1.2
330.05444	1.4
331.06253	2.3
333.07693	1.5
341.04456	0.9
342.05310	0.8
343.06216	1.9
345.07785	0.7
346.04922	0.8
347.05722	2.7
348.06400	0.7
353.04688	1.0
356.03348	0.9
357.04135	2.1
358.05103	1.4
359.05569	3.3
361.07291	1.7
362.07953	1.3
371.05832	2.5
372.06564	1.4
373.07278	1.9
374.04449	2.0
374.08475	0.8
375.05185	4.8
376.05881	1.3
386.04285	0.8
387.05142	5.6
389.06674	3.9
390.07504	11.4
391.08350	2.0
397.03421	0.8
401.06812	3.5
402.03354	0.8
402.07874	1.2
403.04532	2.7
405.09921	1.9
411.40369	1.0
413.06912	0.6
415.04495	5.7
417.05984	4.0
418.06772	2.8
419.07797	3.6
429.06146	1.0
430.07040	7.0
433.09305	22.3
434.09735	1.1
435.10858	0.8
445.09521	4.8
448.08011	1.8
463.10529	100.0
464.10974	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	463.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03286	0.4
59.01239	0.9
63.43166	0.3
69.59513	0.4
71.01252	0.6
73.52657	0.3
76.05424	0.3
76.46854	0.3
80.51836	0.4
85.26117	0.4
88.27784	0.3
96.95853	0.7
113.02486	1.0
113.05947	79.6
114.06263	1.6
114.08577	0.4
115.00233	0.8
125.02325	3.3
128.03401	0.7
129.97208	0.4
130.86606	0.4
134.03641	0.5
135.02882	0.6
137.02402	0.7
146.20842	0.3
148.32678	0.5
157.04958	100.0
157.09941	1.1
158.05289	1.7
165.01816	0.5
167.03394	0.4
174.16045	0.4
175.02373	1.2
177.01839	1.4
208.10156	0.4
223.63875	0.4
232.76140	0.7
232.78165	0.5
242.60876	0.4
265.00266	0.4
305.06650	0.8
351.08539	0.5
374.34152	0.4
403.03589	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48067	0.3
52.24171	0.4
58.38446	0.5
59.01241	17.2
62.91936	0.4
71.01232	4.6
72.99137	0.7
73.02789	1.0
83.01244	0.6
83.81542	0.5
85.02824	0.9
86.46323	0.4
87.00752	0.5
89.02297	6.2
93.03318	6.3
96.95840	2.9
97.02792	0.5
97.22480	0.5
99.00717	0.4
101.02295	2.5
106.04102	9.9
107.04887	55.0
107.07654	0.8
108.02034	1.6
108.05222	0.7
109.02819	0.8
112.15543	0.4
113.02299	1.5
119.03356	1.8
119.04885	0.7
121.02845	0.9
123.04369	0.6
125.02304	2.2
137.02238	0.5
138.03110	1.2
139.03867	2.0
149.04395	0.9
150.03149	2.4
151.03886	1.7
177.01822	0.9
179.05460	0.9
182.02110	1.5
205.12282	2.5
213.09154	24.4
214.09503	0.8
233.06558	0.8
239.07143	1.2
243.03036	0.5
248.98218	0.6
257.08188	100.0
258.08511	4.1
261.28586	0.5
287.01889	1.5
293.08795	2.4
301.06860	1.0
403.19724	4.7
452.36917	0.5
463.22528	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	463.125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48067	0.3
52.24171	0.4
58.38446	0.5
59.01241	17.2
62.91936	0.4
71.01232	4.6
72.99137	0.7
73.02789	1.0
83.01244	0.6
83.81542	0.5
85.02824	0.9
86.46323	0.4
87.00752	0.5
89.02297	6.2
93.03318	6.3
96.95840	2.9
97.02792	0.5
97.22480	0.5
99.00717	0.4
101.02295	2.5
106.04102	9.9
107.04887	55.0
107.07654	0.8
108.02034	1.6
108.05222	0.7
109.02819	0.8
112.15543	0.4
113.02299	1.5
119.03356	1.8
119.04885	0.7
121.02845	0.9
123.04369	0.6
125.02304	2.2
137.02238	0.5
138.03110	1.2
139.03867	2.0
149.04395	0.9
150.03149	2.4
151.03886	1.7
177.01822	0.9
179.05460	0.9
182.02110	1.5
205.12282	2.5
213.09154	24.4
214.09503	0.8
233.06558	0.8
239.07143	1.2
243.03036	0.5
248.98218	0.6
257.08188	100.0
258.08511	4.1
261.28586	0.5
287.01889	1.5
293.08795	2.4
301.06860	1.0
403.19724	4.7
452.36917	0.5
463.22528	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	463.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45137	0.7
59.01250	4.1
59.01488	0.7
64.82141	0.8
67.24541	1.0
69.03331	1.4
71.01241	2.4
71.04880	1.5
75.00729	1.1
81.03324	2.1
83.01234	4.7
83.59410	0.7
87.00739	1.7
88.50571	0.7
89.02271	1.1
91.72894	1.6
93.03318	3.9
95.01246	1.7
95.04885	1.0
96.95835	4.7
97.02806	2.8
99.92443	0.9
105.03323	3.2
107.04890	1.9
109.02821	13.1
111.04355	5.6
115.00226	3.1
116.92724	15.2
119.04906	0.9
121.02814	2.6
123.00795	5.5
123.04404	6.0
124.01526	3.9
125.02316	68.1
126.02645	0.8
133.02835	1.9
134.03581	1.1
135.02863	1.9
135.04388	2.9
137.02322	48.6
138.02893	0.8
139.03889	23.3
145.06053	2.3
147.04349	4.2
148.01648	1.2
149.02328	54.1
149.05951	1.8
150.03098	2.6
151.03909	6.7
161.02286	1.0
163.03862	3.0
164.01010	0.9
165.01831	4.4
166.02577	0.9
167.03407	27.6
169.04993	0.9
173.04535	0.9
173.05980	0.9
174.03094	1.0
175.02388	5.6
175.03922	1.9
175.05939	1.3
176.01033	7.6
177.01848	30.2
178.02649	1.9
179.03413	4.5
185.05994	1.7
189.05508	2.1
191.03426	16.6
192.04208	3.0
193.01515	1.6
193.04985	1.1
201.05441	0.9
203.07106	1.6
213.05498	3.9
217.04996	0.9
219.03026	1.0
221.00868	1.3
226.02550	0.9
229.05000	9.8
231.06599	86.5
231.15677	1.2
231.65042	0.8
249.07733	2.5
255.06607	2.0
265.00009	1.5
271.06207	3.0
273.07718	42.0
283.09735	2.6
287.05429	0.8
299.05588	5.0
301.10797	1.4
317.06662	100.0
318.06998	2.3
327.05051	5.3
345.06113	1.3
373.58472	1.0
463.21497	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21449	0.2
52.51419	0.2
55.01736	0.5
57.03316	1.0
59.00068	0.2
59.01243	15.0
69.03304	0.3
71.00874	0.4
71.01241	6.2
72.97525	0.3
72.99168	16.3
73.00929	0.2
73.02406	0.2
73.02802	3.4
74.54631	0.2
75.00706	0.5
83.01241	2.4
83.04885	2.3
85.02807	5.2
85.99929	0.6
87.00732	11.0
89.02299	2.8
94.55054	0.2
95.01244	0.7
97.02808	0.3
99.00728	1.1
99.04398	0.3
101.02307	8.8
107.01231	0.4
111.00726	0.9
111.04385	2.2
113.02313	2.9
115.03867	0.5
116.91884	0.2
119.03333	0.3
120.76099	0.3
121.02811	0.3
129.01794	0.3
129.05440	0.5
141.01805	0.3
142.69160	0.3
146.08128	0.3
147.48055	0.2
148.05200	0.4
151.00259	1.1
153.12665	0.2
159.02803	0.5
161.04443	0.4
162.13737	0.2
165.12743	1.1
167.14297	0.3
173.04427	0.3
178.99747	0.8
181.12210	0.2
183.13818	0.8
186.10152	0.2
189.12717	0.3
191.14340	0.4
193.12254	0.9
199.04193	0.2
203.14334	0.4
205.12315	0.6
207.13811	0.3
211.13330	1.1
217.05107	0.3
219.13905	0.5
219.17462	0.3
221.15477	1.0
235.13275	0.6
237.14920	0.5
237.18637	1.3
243.02937	0.4
245.15506	0.5
247.13351	1.0
247.17015	0.7
249.14882	0.7
249.57898	0.2
255.03059	0.5
263.12857	0.3
263.16504	0.3
265.14459	0.8
265.18134	0.4
271.02380	1.3
273.15009	1.6
277.12344	0.3
281.14053	1.1
283.19049	0.4
289.14490	0.4
291.16058	2.5
293.13824	1.0
299.01813	0.5
300.02591	0.6
301.03445	0.9
301.20239	2.6
307.15536	0.8
311.14670	0.3
316.02222	1.0
317.03055	0.6
319.21475	0.3
333.19290	0.2
335.14886	0.8
346.89786	0.2
353.16092	13.0
354.16483	0.3
385.22250	0.3
399.23846	0.2
403.23456	0.3
413.58774	0.2
417.24847	0.2
427.16110	24.6
428.16302	0.9
445.07404	0.3
445.24435	2.1
463.25522	100.0
464.25891	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99990	0.6
53.91900	0.5
57.03316	0.8
58.52676	0.5
59.01243	9.6
61.98699	0.9
71.01241	3.7
71.04880	5.6
72.97694	0.9
72.99165	55.7
73.00824	0.7
73.02801	19.4
75.00729	7.5
75.28629	0.6
80.15131	0.6
83.04867	1.4
85.02802	1.9
87.00723	1.7
87.08628	0.8
88.03890	1.0
89.02312	3.7
95.04904	1.7
96.80867	0.7
96.87949	0.9
96.95854	2.1
97.02832	0.6
97.06456	1.1
99.04349	1.5
101.02264	3.4
109.06409	1.6
111.04373	1.2
113.02310	2.8
119.02482	0.6
119.03358	1.5
121.06404	0.7
123.04386	2.2
123.08086	0.8
125.02321	4.5
127.07492	1.3
128.03458	0.8
135.04439	0.9
137.09625	0.7
138.36409	0.7
139.03893	1.2
161.04433	1.1
161.05984	1.0
163.07567	1.2
163.11180	0.9
165.05453	0.8
179.07120	1.0
179.10710	1.7
181.12224	0.8
181.69307	0.7
189.12822	0.7
191.05518	0.9
193.12163	1.1
195.06577	0.8
195.10217	1.2
199.14845	1.3
204.22498	0.7
207.06601	2.0
207.13853	0.9
209.11728	2.3
212.10060	1.4
217.12276	0.8
217.15860	1.4
227.12904	1.3
233.15413	3.9
235.13365	7.0
243.13850	1.6
247.17094	3.9
249.14920	2.0
250.15811	1.2
251.12848	1.7
251.16710	1.0
253.14584	1.0
259.15533	2.4
263.16547	2.0
273.14990	6.6
279.12341	7.4
283.15460	1.7
291.16037	12.4
297.13437	3.8
299.02191	0.9
309.17026	15.3
335.15045	13.3
336.15158	0.9
353.16064	41.2
354.16382	2.8
403.19650	1.3
405.17511	1.5
421.20822	2.2
427.16089	100.0
428.16397	6.2
463.08707	1.7
463.16302	1.5
463.22507	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	463.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.6
57.03339	2.0
58.00475	0.5
59.01241	22.2
60.08200	0.4
61.98709	0.5
65.00203	0.5
67.39925	0.5
71.01241	7.5
72.99165	40.0
73.00909	0.6
73.02802	4.1
73.99554	0.5
75.00749	0.7
76.66640	0.5
83.01250	2.7
83.04891	2.3
85.02798	7.0
85.35784	0.4
85.99983	0.7
86.98782	0.5
87.00729	34.2
89.02304	6.7
89.02826	0.5
90.98473	0.6
91.72906	2.5
93.03349	0.7
95.01276	0.7
97.02876	0.6
99.00778	1.3
101.02303	9.0
107.04938	0.6
111.00739	0.9
111.04422	2.0
111.16243	1.2
111.16892	0.7
113.02317	4.0
115.03941	0.7
119.03414	0.6
125.02401	0.5
129.01852	0.5
135.04420	0.7
141.01804	0.6
142.69221	0.5
143.03488	0.8
143.07065	0.5
146.08150	0.7
151.00221	3.2
151.11169	0.7
153.12764	1.4
159.03000	0.6
161.04497	0.5
165.12761	3.3
177.12843	0.9
178.99751	2.9
181.12366	0.9
183.13875	1.9
189.12750	0.7
191.14348	0.9
193.12308	2.9
195.10233	1.1
200.70012	0.8
203.14406	0.8
205.12332	1.3
207.13907	1.1
211.13313	4.7
217.05057	0.7
217.12273	0.7
219.13983	2.0
219.17476	0.7
221.15430	2.5
235.13460	1.9
237.15044	2.0
237.18684	1.4
245.15546	2.0
247.13477	2.4
247.17061	2.9
249.12605	0.5
249.14926	3.1
255.03078	1.1
263.12711	1.0
263.16571	1.6
265.14542	2.4
265.18292	0.8
271.02277	2.6
273.14935	7.6
277.12415	0.5
281.13986	2.7
283.02594	0.6
283.19180	1.3
287.01849	0.6
289.14606	1.3
291.16022	7.2
293.13928	3.0
299.02048	1.5
300.02795	1.6
301.03571	1.8
301.20248	3.0
307.15656	2.0
309.16925	0.6
316.02148	1.9
317.02859	1.4
335.15170	2.3
353.16071	38.6
354.16452	1.5
427.16092	69.6
428.16437	3.8
445.24423	2.8
463.08838	3.9
463.25507	100.0
464.25845	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	463.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.8
61.98701	0.6
93.84927	0.4
105.10170	0.3
105.47813	0.7
107.04904	0.8
134.03632	2.3
135.04398	84.2
135.08371	0.9
136.04730	1.3
140.42950	0.3
152.00890	0.4
153.01912	0.5
162.03142	0.5
163.03947	0.6
179.03413	100.0
179.09492	1.1
180.03728	1.5
217.00311	0.6
248.61362	0.7
463.23380	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	19.1
59.01469	1.7
59.17900	1.6
71.01266	7.2
73.02823	4.5
74.02367	2.6
76.14370	1.6
85.02838	3.8
87.00734	100.0
89.02329	7.4
91.73433	3.0
96.95909	4.1
101.02350	8.5
113.02333	5.0
119.03378	2.6
121.02877	8.0
122.03667	4.3
123.04444	8.1
128.03448	3.0
131.03436	2.0
137.02309	2.4
143.04517	3.6
146.03639	10.4
147.04477	4.4
149.02333	65.8
149.05988	2.9
150.03122	38.9
161.06012	5.3
162.03163	3.3
164.04688	22.5
165.05463	56.2
167.03366	17.4
179.07040	19.0
180.04303	2.4
186.67453	2.3
191.05577	2.8
195.06569	20.5
272.09030	5.1
283.15433	2.6
300.02844	4.5
301.03479	4.0
312.10080	27.3
323.57516	2.3
327.12381	79.7
333.89886	2.5
371.14722	2.8
375.14670	9.3
463.16290	53.0
463.22305	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	463.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28112	1.6
54.97026	1.6
57.03341	1.7
57.54861	1.9
59.01243	16.5
71.01250	4.0
73.02815	3.2
75.00736	2.7
87.00203	5.1
87.00733	100.0
89.02312	6.8
92.14700	1.7
96.95880	4.6
101.02335	3.0
113.02310	2.2
115.91944	3.1
121.02821	7.4
122.03622	4.1
123.04388	6.5
127.07492	2.4
128.03395	2.4
134.03726	2.3
146.03610	15.2
147.04436	5.3
149.02318	59.5
150.03117	42.7
161.05994	2.9
162.03116	3.2
164.04672	24.2
165.05472	67.0
167.03401	8.0
173.27185	2.1
179.07047	20.4
180.04236	2.8
180.10527	2.1
191.05464	3.0
195.06583	26.1
200.00565	2.1
220.33888	2.3
268.07446	2.6
279.01733	2.2
283.07999	2.7
300.02740	2.7
301.03421	3.3
312.10046	34.9
327.12390	91.6
375.14481	9.7
434.81024	3.3
463.16162	52.4
463.22064	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	463.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25936	2.1
57.03320	2.2
57.66127	2.2
59.01238	7.1
60.97377	9.2
61.98678	1.8
63.12173	2.1
68.93993	2.5
69.03329	2.1
71.01234	4.8
72.95823	2.0
72.97390	100.0
72.99174	7.1
81.02827	2.1
81.03310	4.0
81.34867	2.3
87.00746	2.9
97.02798	4.9
109.02808	6.3
113.02303	12.4
114.02643	4.1
123.04438	3.2
125.02321	16.5
126.02645	6.9
127.02752	3.5
133.96690	15.6
134.97446	48.4
135.04370	5.4
149.06023	3.2
151.00298	12.1
152.01176	2.8
153.01787	7.4
155.10675	16.8
171.10164	7.7
177.01823	2.6
179.03392	4.2
207.10205	3.2
211.04068	3.5
213.05518	4.1
219.10600	4.3
229.04776	2.8
239.03491	4.2
247.20683	8.9
250.06387	2.9
255.02625	3.2
256.03775	5.1
265.05417	3.9
267.06726	3.0
271.14246	2.9
275.07092	2.8
283.02469	3.5
284.03308	5.2
291.19766	7.7
309.04147	6.5
309.20798	9.1
311.05701	7.7
313.03448	17.9
314.18573	2.8
327.21796	57.1
351.14276	5.9
368.14291	5.8
369.14572	26.6
375.05051	8.7
391.21667	5.8
399.69214	2.8
403.21216	5.9
419.03958	6.1
425.13672	16.7
427.19388	3.3
433.12769	3.1
445.05618	8.9
445.12497	3.0
446.22137	4.1
463.07001	4.7
463.20328	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.4
58.80726	0.2
59.01228	1.4
60.97390	1.0
66.86252	0.3
69.03312	0.5
69.30177	0.3
71.01234	0.5
72.97388	11.5
72.99171	0.7
73.63501	0.8
73.63856	0.4
81.03325	1.6
91.01720	0.7
93.03310	0.3
95.01224	0.8
96.95847	0.7
101.02267	0.7
107.01234	1.0
108.02036	1.1
109.02813	15.3
112.19218	0.3
113.02291	1.9
114.02661	0.4
115.63902	0.3
117.03309	1.0
123.00737	0.7
125.02314	3.5
126.02615	0.6
127.02771	0.4
129.03320	0.6
133.02820	4.1
133.96678	2.0
134.97449	6.0
135.04401	1.3
145.02829	3.8
146.03583	0.9
147.04410	2.4
149.02321	0.3
151.00241	3.3
153.01823	10.7
155.10640	2.7
157.02753	0.4
161.02342	1.2
161.04405	0.5
163.03922	1.9
165.07011	0.8
171.10196	0.8
172.48265	0.4
173.02353	1.9
174.03143	1.0
175.03841	0.6
178.02608	0.4
179.03455	0.7
180.05743	1.5
181.06528	3.0
183.04424	0.8
191.04967	0.9
193.06522	1.5
195.04410	1.0
196.05194	0.8
197.05989	2.9
200.01065	0.9
206.72998	0.4
207.04451	0.9
208.05196	3.0
209.06006	8.7
210.06445	0.6
211.03992	1.9
211.07553	0.6
217.00357	0.5
219.04442	1.7
219.10603	0.6
220.05260	0.9
220.96080	0.4
221.05949	1.3
221.15404	0.4
224.04709	2.3
225.05528	5.1
226.02722	0.5
226.06198	1.0
235.03975	2.4
236.04721	2.3
237.05551	16.4
238.06026	0.9
239.03485	0.5
247.04047	1.7
247.20668	1.3
248.04720	2.0
249.05351	0.4
250.06244	0.8
251.03662	0.3
252.04259	1.3
253.05069	9.6
254.05255	0.8
255.06696	0.6
256.03781	0.4
263.03519	2.6
264.04260	3.0
265.05048	11.4
266.05786	2.7
267.06595	2.3
280.03824	1.0
281.04553	40.1
282.04965	3.6
283.02792	0.4
283.06119	1.1
284.03296	0.8
291.02951	1.0
291.19629	1.0
308.03201	0.5
309.04056	100.0
309.20795	1.7
310.04663	14.7
311.01996	0.7
311.05600	12.1
312.02637	0.5
312.06104	0.8
327.21768	6.2
351.14282	0.6
369.14517	2.8
383.20694	0.6
391.21677	1.0
403.10202	0.5
425.13721	1.4
463.06064	0.6
463.20020	2.5
483.28146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.1
56.20110	0.6
57.03317	1.8
57.83105	0.6
58.00457	1.3
59.01242	81.5
59.02457	1.7
61.33652	0.6
69.03352	0.7
70.99776	1.0
71.01239	62.4
71.02877	1.1
72.99163	2.9
73.02803	21.8
75.00717	1.0
76.34026	0.8
76.70078	0.7
83.01249	7.1
85.02807	17.9
85.12965	0.8
87.00739	4.0
89.02297	92.0
89.04556	1.1
95.01243	3.6
96.18805	0.7
96.95859	6.9
97.02814	2.2
99.00742	20.8
99.34162	0.7
99.73500	0.8
101.02304	55.6
101.05018	0.8
105.79037	0.7
111.00792	4.5
111.01447	0.9
113.02303	23.1
115.03873	1.1
119.03371	15.9
125.02309	5.6
129.05463	1.5
131.03380	15.7
141.01828	0.8
142.69789	1.2
143.03368	3.8
149.04443	51.9
161.04459	7.5
179.05580	5.9
185.06070	1.1
191.05540	13.1
221.06676	2.1
227.82417	0.8
233.06664	2.7
236.52550	0.8
241.00316	1.7
251.07787	4.3
273.44388	0.9
282.24042	1.0
283.15652	0.9
293.08728	1.4
316.71521	0.8
331.17630	5.4
345.88574	1.0
403.19730	18.2
419.07806	2.1
463.08459	2.5
463.21912	100.0
464.22284	6.2
483.43835	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
55.01743	0.7
57.03310	2.9
59.00136	1.2
59.01241	75.8
59.02465	1.8
60.67938	0.8
69.03298	1.5
69.91926	0.7
71.01240	55.1
71.02838	0.9
72.43850	0.8
72.99155	2.3
73.02802	20.4
75.00719	1.2
83.01253	5.6
83.90216	0.8
84.98128	0.7
85.02808	14.4
87.00732	6.5
89.02296	79.9
89.04556	1.4
89.27230	0.7
90.02629	0.8
95.01231	2.5
96.95876	11.2
97.02779	1.8
99.00090	1.1
99.00739	19.7
99.01359	1.6
101.02303	49.6
109.02818	1.1
111.00730	3.8
111.04378	0.8
113.02312	19.6
115.03896	1.9
119.03371	19.0
122.03625	0.9
125.02327	4.7
126.94843	0.8
129.05461	1.8
131.03377	13.3
135.04399	1.3
143.03363	3.0
149.04443	46.2
161.04457	7.6
165.05438	1.2
179.03284	0.8
179.05515	6.9
179.06937	1.4
185.06000	1.7
185.30188	0.8
191.05525	12.3
191.07111	0.9
206.91174	0.8
212.04749	1.2
213.05547	2.9
221.06615	2.8
241.00165	1.6
251.07715	4.7
257.04422	1.1
265.05246	0.9
293.08847	1.5
331.17621	7.5
375.14404	1.3
403.19778	11.2
419.08002	2.8
454.10947	1.0
463.08759	2.6
463.21899	100.0
464.22247	4.1
474.94849	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2188
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
55.01746	0.8
55.03549	0.3
57.03315	0.7
58.00443	0.3
58.99969	0.3
59.01243	22.9
59.02341	0.4
59.92429	0.3
61.80531	0.3
65.05251	0.4
67.01753	0.5
69.03304	0.8
70.99630	0.5
71.01240	26.3
71.02705	0.5
72.99171	1.0
73.02804	12.1
75.00722	1.0
79.02419	0.3
83.01244	3.9
85.02808	10.0
87.00732	1.6
89.02298	19.1
95.01234	1.6
97.02816	2.0
99.00742	8.5
99.04418	0.4
100.87755	0.3
101.02303	29.9
109.02794	0.7
111.00733	0.7
113.02303	9.4
115.03871	1.7
119.03383	3.3
120.99514	1.2
125.02333	2.9
131.03374	2.7
134.56238	0.4
138.90298	0.4
142.69766	0.5
143.03377	1.8
149.04445	5.8
151.40332	0.4
151.46483	0.3
153.01793	0.5
159.02864	1.9
161.04460	10.0
169.12239	3.1
172.92917	0.4
179.05533	0.6
186.63730	0.4
191.05580	2.7
191.80632	0.7
210.32387	0.4
221.06647	0.6
233.06625	2.9
251.07703	0.8
293.08823	1.7
331.17648	24.7
332.18164	1.0
351.14645	0.6
355.59442	0.6
382.26166	0.4
403.10522	0.5
463.21893	100.0
464.22174	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.9
58.00455	0.8
59.00050	1.0
59.01244	50.5
60.67960	0.6
68.23794	0.6
69.03308	1.4
70.99658	0.9
71.01239	43.1
72.99171	2.2
73.02807	14.2
75.00729	1.3
80.97231	0.5
81.03317	0.6
83.01237	2.5
83.78522	0.5
85.02804	10.7
85.03304	0.7
87.00741	2.9
89.00090	1.0
89.02297	75.6
90.02649	0.7
95.01241	1.6
96.95892	1.0
97.02796	2.8
99.00086	1.0
99.00739	18.1
99.04409	1.2
101.02306	40.2
109.02824	2.0
113.02305	14.1
115.03882	2.3
119.03366	9.6
121.02794	0.8
125.02306	5.6
131.03377	11.0
135.04414	0.8
142.69841	0.9
143.03372	3.3
148.99614	0.7
149.04448	50.6
151.00270	1.0
159.02939	1.4
161.02341	0.8
161.04457	8.6
165.12726	0.5
169.12267	1.5
177.05542	0.9
179.05539	2.5
186.03078	0.6
190.02649	0.5
191.05547	10.1
191.80519	0.6
195.06566	1.1
200.32875	0.5
202.02634	1.1
209.08170	1.1
214.02539	1.1
221.06627	5.7
227.03343	1.2
233.06595	3.3
242.02240	2.0
243.02960	0.8
245.00824	0.7
247.03853	0.7
251.07713	9.9
255.02974	1.5
256.03662	1.9
279.02914	0.7
282.24295	1.0
283.02420	1.2
284.03110	1.6
293.08777	3.3
301.03580	2.6
310.62964	0.6
311.09885	3.4
331.17657	17.9
351.14236	0.9
352.66913	0.7
373.07184	0.9
375.08902	3.5
401.06653	1.9
403.10510	0.7
417.05859	0.9
419.07632	1.1
425.14450	1.0
445.05652	4.3
454.95282	0.7
463.07123	14.6
463.21884	100.0
464.07056	0.8
464.22189	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	463.2493
Annotation	Jolkinol B
Peak:m/z	Relative Intensity
59.01242	4.7
59.84155	1.6
62.70801	1.7
63.82938	1.7
64.68868	1.6
74.73667	1.6
75.90749	1.9
76.30267	1.8
77.46318	1.7
86.40377	2.1
91.72765	2.9
92.74984	1.8
101.05936	4.9
105.25629	1.9
126.79236	2.0
135.55676	2.0
161.15404	2.2
217.00299	3.4
237.05499	2.3
252.11574	2.8
264.07764	3.6
269.11859	3.1
279.10410	6.2
280.11172	3.2
291.10095	2.6
293.11667	9.6
294.12531	3.2
295.13397	13.0
307.09711	12.6
321.11487	3.2
321.14914	4.4
322.12256	12.5
335.16693	5.2
336.17313	9.1
337.18167	6.1
345.15149	2.9
349.14474	7.1
357.20874	9.2
360.17297	2.4
361.17978	4.0
363.15887	14.4
364.16827	100.0
365.17334	10.1
377.17618	4.8
378.18442	15.1
379.19135	50.7
391.08420	2.5
461.26874	5.9
463.24814	40.5
463.29312	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	463.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.7
56.70148	0.3
57.03300	1.0
59.01241	13.0
61.98658	0.4
70.29597	0.3
71.00870	0.5
71.01237	6.1
72.99164	5.8
73.02782	3.0
75.00692	0.3
77.37186	0.3
77.74014	0.3
83.01244	2.8
83.04871	2.5
85.02800	4.2
85.46347	0.3
85.68088	0.3
85.99918	0.7
87.00736	2.1
89.02280	2.0
91.73424	0.4
93.03280	0.5
95.01228	0.6
97.02797	0.4
99.00717	0.8
101.02294	7.6
111.00728	0.7
111.04398	2.1
113.02266	2.4
119.03322	0.6
122.01099	0.3
129.05397	0.5
139.17215	0.3
142.69171	0.5
151.00227	0.6
161.04424	0.5
176.50996	0.3
191.76529	0.3
198.83856	0.3
199.03871	0.7
200.04321	0.3
211.13460	0.4
215.03413	0.4
216.03937	0.4
217.03937	0.4
227.03418	0.4
228.03879	0.4
237.18558	1.3
242.02159	1.1
243.02882	5.2
244.03206	4.1
245.03465	4.4
247.17044	0.4
255.02914	0.4
256.03052	0.3
257.04413	1.0
258.04852	1.2
259.05093	1.3
265.18036	0.9
270.01639	0.9
271.02399	4.6
272.02734	4.5
273.03012	5.3
283.19193	0.9
285.03958	1.8
286.04593	1.7
287.04663	3.3
288.05316	1.1
291.16110	0.5
299.01901	1.0
300.02499	2.3
301.02838	3.3
301.20239	3.3
302.03329	1.4
314.04337	2.7
315.04739	4.6
316.04944	9.8
317.05627	4.7
318.05972	0.4
353.16071	2.2
427.16058	4.0
445.24512	1.4
458.33560	0.4
463.11609	23.1
463.25494	100.0
464.12021	1.8
464.25711	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	463.2857
Annotation	Perovskone B
Peak:m/z	Relative Intensity
51.38720	0.7
52.16941	0.9
59.01234	2.1
71.28140	0.9
71.46636	0.9
84.81115	1.5
84.81580	1.2
87.68776	0.9
94.53054	0.9
126.66879	1.0
141.67632	1.0
143.62372	1.1
159.04485	1.7
160.05186	1.6
163.11157	0.9
188.04771	2.4
203.10728	16.6
213.09259	2.0
214.10048	1.2
219.06601	1.1
231.10226	53.2
259.09766	78.8
260.10260	3.0
325.14523	1.3
463.28583	100.0
464.29034	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	463.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77736	0.1
56.29010	0.1
58.99873	0.8
59.01242	100.0
59.02415	1.8
60.01584	0.3
61.98669	0.1
66.75255	0.1
78.95772	0.3
81.53835	0.2
89.02339	0.2
91.03865	1.9
96.68397	0.1
152.99506	0.3
195.89314	0.1
200.70082	0.2
217.00406	0.5
242.51677	0.2
269.21140	0.8
287.22397	0.4
329.23367	3.7
415.92169	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	463.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00110	1.8
59.01242	100.0
59.02549	1.3
60.01573	0.2
61.98719	0.1
70.66873	0.1
76.50095	0.1
78.95737	0.7
83.00165	0.1
91.03870	1.3
96.95901	0.2
107.52205	0.1
152.99469	1.0
154.19254	0.1
217.00270	0.7
231.13962	0.1
269.21365	0.7
287.22507	0.4
329.23386	2.7
329.27347	0.2
445.22678	0.1
463.21576	0.2
463.27292	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82570	0.9
52.45154	0.8
53.85863	0.7
54.00133	0.9
55.41147	0.7
59.01245	8.7
67.24561	0.9
69.03311	1.4
70.35367	0.7
71.01264	2.0
74.02335	0.9
77.01122	0.8
77.03857	0.8
79.31482	0.8
81.03349	2.2
83.01241	4.1
89.02309	1.9
91.73309	1.2
93.03350	2.6
95.01276	2.5
96.95895	3.1
97.02831	2.0
101.02322	1.1
102.05465	21.6
102.06097	1.2
105.03346	2.3
107.04919	1.3
109.02818	12.2
111.04360	5.5
112.56684	1.1
113.02299	1.0
115.00270	1.2
119.03423	0.9
121.02857	3.4
123.00743	5.0
123.04387	4.3
124.01582	3.4
125.02314	57.2
125.06009	1.3
126.02796	1.2
128.03409	19.1
128.04274	1.4
135.04454	1.5
137.02327	46.7
138.02666	1.0
139.03891	23.2
139.04893	1.4
143.04558	3.7
146.04480	61.1
147.04430	4.6
149.02328	51.7
150.03108	3.0
151.03923	4.5
161.02451	1.3
163.03970	3.0
165.01889	2.9
166.36359	1.0
167.03403	29.4
171.50784	0.9
175.03961	2.0
176.01062	7.8
177.01845	25.8
178.02705	2.3
179.03447	2.7
185.06053	1.9
189.05487	1.0
191.03435	14.3
192.04155	2.3
193.05025	1.1
199.04044	1.2
203.07129	2.0
210.08887	0.9
211.07593	1.1
213.05530	4.4
217.01392	1.1
217.05176	1.2
229.04974	6.6
231.06604	77.2
232.06963	2.9
249.07617	4.3
255.06689	2.3
261.04041	1.6
271.06210	1.7
272.08945	1.6
273.07724	42.1
274.08072	1.1
280.72095	0.9
299.05594	4.4
304.06177	1.1
306.07770	5.4
317.06674	100.0
318.07190	2.4
330.52005	1.0
405.14313	6.0
446.11075	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	464.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.0
61.97314	1.4
61.98693	100.0
61.99956	2.2
70.96034	0.7
74.15708	0.8
74.39263	0.8
101.05950	0.8
109.02866	1.6
114.86800	0.8
135.04448	2.3
153.01904	1.0
156.04376	1.0
166.62497	0.8
179.03450	1.5
305.14047	2.2
410.02747	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01338	0.4
51.77476	0.5
59.01235	0.6
61.31046	0.5
63.56231	0.5
63.62410	0.5
65.59227	0.6
71.88895	0.6
78.95760	7.2
80.79761	0.5
101.79890	0.6
117.54315	0.6
140.01057	2.0
144.51941	0.5
150.42044	0.5
151.08443	0.6
152.99463	1.2
163.97409	0.6
196.03770	1.4
202.43936	0.7
214.04784	2.2
267.23303	100.0
268.23618	3.6
305.14145	1.3
412.83350	0.7
464.27921	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	465.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	7.6
59.01242	40.6
61.98683	1.1
65.00178	3.6
69.97617	1.0
71.01243	11.1
72.99174	1.8
73.02792	4.0
73.45847	1.3
83.01238	6.4
85.02809	6.5
89.02318	5.0
89.67532	1.0
91.05460	0.8
91.08507	1.1
95.01232	1.2
96.95856	2.1
101.02303	15.0
102.05466	26.5
102.06131	1.9
103.91903	0.9
107.01250	4.0
107.95367	0.9
109.02834	3.5
111.00748	1.2
113.02331	5.4
113.64120	1.0
119.03358	2.2
121.02823	2.0
123.04395	5.2
124.01568	1.0
125.02312	84.3
125.06008	1.1
126.02647	1.9
128.03406	27.1
130.06508	2.0
132.83250	1.0
133.02867	2.3
137.02309	1.9
143.04922	1.0
143.10690	2.0
146.04475	26.0
149.02348	7.8
150.03122	2.3
150.22878	1.1
151.00261	28.8
151.03854	4.6
152.01028	3.8
153.01823	19.5
156.04453	3.1
159.02930	1.2
161.02357	1.0
161.04468	9.1
163.00243	6.2
167.03395	1.4
169.01370	1.3
171.04427	2.2
174.03082	1.9
175.02483	2.2
175.03902	14.9
176.01089	4.5
177.01831	20.9
178.99763	15.6
179.05492	1.4
181.01389	2.4
188.04633	1.8
189.05507	4.0
191.03461	1.1
196.05273	1.0
199.03935	7.8
199.09801	1.1
201.02005	2.6
202.19884	1.2
213.05554	1.2
213.95778	1.8
215.03592	1.2
216.04175	1.7
217.05025	8.9
218.41551	1.1
219.03195	1.0
229.05305	1.3
231.06665	1.9
241.05067	5.6
243.03014	2.1
243.16049	4.8
257.04514	2.9
259.06177	4.2
259.10861	1.1
275.05655	9.8
284.03293	1.6
285.04050	100.0
286.04300	2.8
292.11984	6.3
303.05109	91.0
304.05380	4.8
320.77945	1.1
336.10977	5.9
341.05206	4.1
384.10812	1.4
405.21301	8.5
421.17133	7.9
429.83200	1.3
447.09137	2.8
465.15302	41.7
466.15805	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	465.1037
Annotation	(2R,3R)-Taxifolin 3-glucoside
Peak:m/z	Relative Intensity
54.22208	1.8
56.95971	0.7
57.03315	8.9
59.00969	1.0
59.01242	13.4
61.98689	1.0
65.00173	1.7
71.01237	4.1
72.99178	0.8
73.02791	1.3
74.73223	0.8
78.60087	0.7
81.74778	0.7
83.01246	3.7
85.02802	2.6
87.00730	1.1
89.02315	5.2
91.72739	0.9
93.03282	1.0
95.01229	2.3
96.02033	0.7
99.00721	1.5
99.04387	0.7
101.02313	4.0
104.07172	0.7
107.01244	2.8
109.02818	3.3
111.00758	2.0
113.02319	2.5
116.92714	0.7
119.03368	1.0
119.26842	0.7
121.02863	1.7
121.81906	0.7
122.04528	0.7
123.00736	2.0
123.04366	2.2
124.01511	6.4
125.02314	100.0
125.05863	1.4
126.02658	2.1
128.10780	0.6
131.32333	0.6
137.02316	3.0
139.00215	1.1
139.03912	1.3
149.02345	4.4
150.03098	3.2
151.00264	9.5
151.03870	5.4
152.01045	17.5
153.01830	5.6
163.00313	0.9
165.05489	1.3
173.05988	1.4
174.03091	1.4
175.03893	4.6
176.01022	2.0
177.01848	4.1
178.99734	7.7
181.01190	1.2
185.11855	1.3
187.03905	1.4
188.04710	1.8
189.05479	5.5
191.03494	2.7
191.05545	12.1
191.07100	1.5
193.04996	3.8
199.03957	1.1
203.07111	1.3
213.05626	0.9
213.29663	0.7
215.07043	1.0
216.04169	1.6
217.05005	10.9
231.06622	1.6
241.05023	1.9
246.83363	1.0
257.04529	1.4
258.05389	0.8
259.06125	12.4
274.04874	2.2
275.05661	9.2
275.08536	1.4
284.03281	1.2
285.04047	27.3
286.04547	1.1
303.05109	10.8
321.15482	2.5
384.10049	0.9
403.15866	0.9
410.22391	0.9
421.11215	1.6
437.10913	21.7
438.11267	1.0
447.09320	7.1
465.10373	86.2
466.10715	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	465.1038
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
54.22215	0.7
56.86964	0.4
57.03313	7.5
59.01237	5.4
63.02242	0.7
65.00179	1.6
71.01241	0.9
73.02808	0.7
73.45884	0.6
75.00739	1.2
81.03305	1.2
83.01232	5.5
85.02798	1.3
89.02280	1.4
93.03317	0.6
95.01244	1.4
96.95860	0.5
101.02306	1.3
107.01231	3.9
109.02811	3.2
111.00756	1.0
119.03356	0.7
121.02803	1.9
122.03578	0.7
123.00751	1.3
123.04398	3.4
124.01504	4.2
125.02309	100.0
126.02684	1.5
133.02808	0.8
137.02324	3.6
139.03889	2.1
142.82281	0.5
143.04649	0.6
147.04353	1.8
149.02316	5.8
150.03099	3.0
151.00250	15.2
151.03908	6.4
152.01027	13.0
153.01820	13.3
161.02325	1.1
161.04469	0.9
161.05908	0.8
163.00214	1.0
165.01857	0.5
165.05414	1.0
167.03429	0.7
169.01308	1.9
171.04369	1.2
172.05154	0.9
173.05937	1.1
174.03197	3.4
175.03903	20.1
176.01057	0.9
177.01845	25.2
178.02209	1.3
178.99757	13.7
180.00461	1.1
181.01302	3.1
185.06076	0.6
188.04657	2.2
189.05519	4.6
191.03604	0.7
191.05545	4.2
193.05032	1.8
195.06575	0.7
197.06055	1.2
198.03062	0.6
199.03929	10.4
200.04292	0.8
201.01862	2.9
213.05530	2.4
215.03467	1.0
215.07101	0.8
216.04218	2.2
217.05020	12.0
219.03015	0.7
231.06606	2.1
241.05046	9.1
242.05380	0.8
243.03090	2.5
257.04541	2.2
259.06174	5.7
274.04987	1.0
275.05588	8.2
285.04050	80.0
286.04376	3.2
303.05106	70.6
304.05469	3.2
405.21375	0.9
421.69916	0.5
434.56842	0.6
447.09088	1.8
465.10388	64.6
465.23724	2.0
466.10733	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	465.1039
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03317	5.5
59.01233	2.2
61.98684	0.5
63.02254	1.1
65.00187	2.3
67.01762	0.4
68.99665	0.7
71.01242	1.2
81.03326	0.5
83.01240	6.2
85.02833	0.5
89.02295	0.7
93.03329	0.8
95.01267	0.8
95.04868	0.5
96.95872	1.7
97.02790	0.6
100.89409	0.3
101.02303	0.6
105.03291	0.5
107.01248	6.1
108.02058	0.5
109.02811	5.2
109.35614	0.3
113.02320	0.5
119.03387	0.8
121.02818	2.4
123.00816	0.9
123.04375	4.7
124.01549	2.2
124.98771	1.3
125.02313	100.0
125.06342	0.7
126.02640	1.7
131.01273	1.6
133.02797	0.3
135.00734	0.3
135.04436	0.4
137.02299	4.1
139.03879	3.8
146.03598	0.6
147.04387	0.7
147.84444	0.4
149.02327	14.3
150.03075	1.4
151.00258	31.5
151.03870	2.8
152.01083	3.7
152.96997	0.4
153.01820	28.5
154.02193	0.7
160.01483	0.3
161.02332	1.4
161.05937	0.5
163.00304	0.6
163.03864	0.6
165.01799	1.9
166.02568	1.1
167.03412	2.4
168.03775	0.3
169.01341	1.4
169.06288	0.4
171.04361	0.9
173.02397	0.5
173.05959	0.9
174.03172	1.8
175.00282	5.7
175.03906	9.6
175.36182	0.3
176.01103	0.7
177.01851	17.3
178.02248	0.6
178.99771	23.4
179.03369	0.9
180.00191	0.9
181.01338	15.6
187.04002	0.5
188.04659	2.5
189.01869	0.4
189.05521	4.3
191.03448	2.6
193.01338	1.0
193.05020	1.0
195.02884	2.4
197.06154	0.5
198.03127	0.7
199.03952	4.6
201.01804	1.6
202.99756	0.4
203.07111	0.4
205.01413	1.6
207.02895	0.8
212.04633	0.4
213.05562	1.0
215.03337	0.5
216.04219	1.6
217.05019	6.0
219.03012	0.6
221.00810	0.8
223.02414	0.5
228.04204	0.4
231.06599	1.2
240.04231	0.8
241.05055	4.3
243.02837	0.9
256.03714	0.9
257.04544	1.2
259.06146	3.3
267.02795	0.6
275.05637	23.9
276.06027	1.0
284.03339	1.0
285.04059	48.3
286.04413	2.6
299.05621	6.7
300.05850	0.5
303.05112	77.2
304.05463	3.1
309.04010	1.1
313.05609	1.2
315.07318	0.8
317.06723	0.7
327.05093	2.2
329.06619	0.6
341.05112	5.9
342.05545	0.7
343.06732	6.9
405.21164	1.6
437.10739	2.3
447.09369	4.0
453.85742	0.4
465.10303	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	7.6
59.01242	40.6
61.98683	1.1
65.00178	3.6
69.97617	1.0
71.01243	11.1
72.99174	1.8
73.02792	4.0
73.45847	1.3
83.01238	6.4
85.02809	6.5
89.02318	5.0
89.67532	1.0
91.05460	0.8
91.08507	1.1
95.01232	1.2
96.95856	2.1
101.02303	15.0
102.05466	26.5
102.06131	1.9
103.91903	0.9
107.01250	4.0
107.95367	0.9
109.02834	3.5
111.00748	1.2
113.02331	5.4
113.64120	1.0
119.03358	2.2
121.02823	2.0
123.04395	5.2
124.01568	1.0
125.02312	84.3
125.06008	1.1
126.02647	1.9
128.03406	27.1
130.06508	2.0
132.83250	1.0
133.02867	2.3
137.02309	1.9
143.04922	1.0
143.10690	2.0
146.04475	26.0
149.02348	7.8
150.03122	2.3
150.22878	1.1
151.00261	28.8
151.03854	4.6
152.01028	3.8
153.01823	19.5
156.04453	3.1
159.02930	1.2
161.02357	1.0
161.04468	9.1
163.00243	6.2
167.03395	1.4
169.01370	1.3
171.04427	2.2
174.03082	1.9
175.02483	2.2
175.03902	14.9
176.01089	4.5
177.01831	20.9
178.99763	15.6
179.05492	1.4
181.01389	2.4
188.04633	1.8
189.05507	4.0
191.03461	1.1
196.05273	1.0
199.03935	7.8
199.09801	1.1
201.02005	2.6
202.19884	1.2
213.05554	1.2
213.95778	1.8
215.03592	1.2
216.04175	1.7
217.05025	8.9
218.41551	1.1
219.03195	1.0
229.05305	1.3
231.06665	1.9
241.05067	5.6
243.03014	2.1
243.16049	4.8
257.04514	2.9
259.06177	4.2
259.10861	1.1
275.05655	9.8
284.03293	1.6
285.04050	100.0
286.04300	2.8
292.11984	6.3
303.05109	91.0
304.05380	4.8
320.77945	1.1
336.10977	5.9
341.05206	4.1
384.10812	1.4
405.21301	8.5
421.17133	7.9
429.83200	1.3
447.09137	2.8
465.15302	41.7
466.15805	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	465.1039
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
50.69526	0.3
51.88961	0.8
51.89691	0.9
51.89893	0.4
51.90559	0.4
59.01242	2.9
61.98698	2.0
64.99859	0.4
65.00179	6.5
70.79295	0.4
71.01242	1.7
78.95734	0.5
81.03320	0.5
82.53342	0.3
83.01238	3.3
85.02836	0.5
87.00761	0.6
89.02284	1.3
90.18117	0.6
93.03320	0.6
95.04877	0.8
97.02811	0.6
101.02323	1.1
105.03317	1.0
107.01249	14.1
107.04901	1.5
112.54853	0.4
113.02290	1.1
123.04388	1.1
125.02301	7.1
131.01250	1.6
133.02826	0.4
137.02287	0.9
149.02324	1.5
150.03090	1.3
150.95430	0.9
151.00255	76.3
151.03888	100.0
152.00632	1.2
152.04248	2.9
164.01001	0.7
165.01810	1.3
169.01392	1.3
175.00272	9.5
177.01843	3.0
180.23921	0.5
180.54860	0.4
191.89613	0.4
193.01285	2.2
199.03880	0.4
205.01360	0.9
220.72678	0.4
237.99942	0.5
248.60010	0.5
284.03152	0.6
285.04047	2.0
303.05106	90.3
304.05405	3.7
313.05710	2.6
327.05096	0.6
405.21387	0.6
465.10373	12.3
465.19778	1.7
466.10568	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22163	0.2
55.07880	0.5
57.03296	0.3
58.00453	0.7
59.00971	0.5
59.01244	6.4
59.98571	0.4
59.98829	0.4
71.01241	4.6
72.99187	0.3
73.02803	3.0
74.02326	1.1
76.40389	0.2
82.02845	0.5
83.01233	1.5
84.04401	3.2
84.69736	0.2
85.02809	3.3
87.00768	0.3
89.02305	0.9
93.03322	0.8
93.63319	0.4
96.95876	0.9
99.00734	0.9
100.03896	0.3
100.40154	0.3
101.02306	10.0
101.02959	0.6
102.05466	65.7
102.08242	0.9
103.05801	0.5
103.36034	0.3
107.04863	0.7
113.02312	2.4
116.04887	0.5
125.02248	0.4
128.03406	68.4
128.07323	0.9
129.01849	0.3
129.03775	0.6
130.06496	6.0
135.04376	0.4
135.87308	0.3
142.06497	0.7
143.03410	0.4
146.04475	56.2
146.05934	3.4
146.09146	0.5
146.17160	0.2
147.04720	0.4
148.28423	0.3
153.01814	0.3
156.04443	5.2
159.02885	0.4
161.04436	0.5
165.05469	7.8
172.07558	1.5
173.07175	0.6
193.05022	0.7
199.08784	0.6
200.07080	2.0
209.04449	0.3
215.11963	1.4
237.03975	0.5
241.09810	2.4
259.10907	2.7
270.12903	0.3
292.11914	12.2
293.12366	0.4
294.72113	0.4
336.10919	12.2
337.11343	0.4
361.12531	0.4
421.16357	2.2
431.21286	0.3
447.14084	3.4
465.15134	100.0
466.15421	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	465.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	4.9
57.76047	0.5
59.00971	0.6
59.01243	5.4
60.25560	0.4
65.00187	1.5
65.43687	0.4
69.20534	0.4
70.95403	0.8
71.01228	1.8
73.02784	0.9
75.07416	0.5
83.01237	2.2
85.02807	6.7
87.00734	1.7
89.02306	1.5
93.03316	2.2
95.01247	1.8
96.82211	0.4
97.41798	0.5
101.02302	1.5
107.01247	1.8
109.02828	2.4
111.00748	1.2
111.04379	1.0
113.02328	1.1
119.03354	1.0
119.05016	0.5
121.02804	0.9
123.00774	1.3
123.04381	1.6
124.01542	5.2
125.02314	62.2
126.02621	0.6
127.03870	1.6
133.02870	0.7
137.02299	1.8
139.03879	0.7
147.04396	0.9
149.02333	2.5
150.03064	2.3
151.00253	7.9
151.03889	3.5
152.01050	12.4
153.01833	4.0
161.05983	0.4
163.00285	0.6
165.05449	0.8
172.05177	0.5
173.04555	0.7
173.05989	1.2
174.03113	1.1
175.02475	0.6
175.03888	3.9
176.01045	0.8
177.01845	2.7
178.99780	4.9
180.00497	0.9
187.03929	0.6
188.04718	1.2
189.05498	3.2
191.05536	100.0
192.05888	0.6
193.05011	2.4
199.03929	0.9
202.06369	0.5
203.06996	0.7
209.64311	0.5
213.05504	0.8
215.07146	0.9
217.04984	6.4
219.03044	0.6
231.06633	2.0
241.05013	1.6
248.33502	0.5
257.04498	0.7
258.05322	0.9
259.06134	8.0
274.04861	1.5
275.05634	5.9
284.03323	1.4
285.04065	16.7
303.05194	6.3
421.11536	0.9
437.11011	10.7
447.09415	5.5
465.10406	50.3
465.23636	1.5
466.10651	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23740	0.8
55.01736	1.2
57.03299	2.6
58.00456	2.5
59.00070	1.8
59.01241	100.0
59.02533	1.5
61.98686	1.4
63.50259	0.9
67.01731	0.9
69.03317	2.0
70.99706	1.1
71.01238	56.4
71.04869	3.9
72.99164	3.5
73.02824	5.7
75.00690	1.0
81.03319	7.0
83.01228	4.1
85.02803	13.8
87.00707	3.3
89.02295	75.9
89.04705	1.0
93.03306	1.7
95.01230	3.5
95.84295	1.0
97.02798	3.4
97.06495	1.2
98.35812	0.9
99.00733	1.9
99.04386	5.3
99.04934	1.1
99.08007	4.4
101.02299	37.3
101.02959	2.3
109.06452	6.9
110.15056	0.9
111.04397	1.9
113.02307	24.2
115.03877	38.3
118.83783	0.9
119.03361	31.7
123.08031	18.6
125.02320	3.5
131.03366	2.3
137.09583	3.2
143.03358	5.6
149.04431	2.2
149.05971	1.8
151.07500	1.1
151.11169	2.4
153.05441	2.8
153.12761	2.2
155.10683	1.1
160.82588	1.0
161.04463	7.2
167.07008	2.8
179.05531	12.4
191.14348	16.1
209.15405	8.7
235.13403	4.9
253.14449	31.6
254.15001	1.2
271.15549	15.5
282.00119	1.1
303.21771	2.1
313.16602	2.4
405.21045	1.4
433.20813	34.1
434.21103	1.9
465.27258	10.3
477.54520	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45160	0.4
57.03322	1.0
59.00001	1.8
59.01241	100.0
59.02315	1.3
60.01578	0.4
71.01239	19.3
72.99172	0.7
73.02808	3.4
73.62972	0.3
77.21848	0.4
81.03361	0.4
83.01255	1.6
85.02807	5.2
87.00748	1.1
89.02293	23.5
95.01251	1.3
95.61996	0.4
96.95892	1.6
97.02832	0.8
99.00741	1.4
101.02297	15.1
113.02299	10.3
114.26326	0.4
119.02513	0.6
119.03365	10.9
123.08060	1.2
125.02331	1.2
127.07574	0.7
131.03391	1.3
135.51004	0.5
143.03392	2.7
149.04497	0.8
149.34023	0.4
151.07512	2.0
154.32227	0.9
159.02904	2.0
161.04446	11.8
179.05507	6.4
179.06787	0.5
180.84126	0.4
189.12825	0.5
191.05475	0.4
207.13837	1.9
225.14989	1.1
243.15981	7.5
277.95889	0.4
317.16110	0.8
405.21323	26.1
406.21857	1.2
422.16290	0.6
449.20691	0.8
465.23639	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30304	0.3
50.32630	0.3
51.66224	0.3
55.01746	0.7
57.03300	0.7
59.01244	45.5
59.02399	0.8
60.43792	0.3
63.00301	0.3
71.01240	7.1
72.99170	0.5
73.02805	3.9
83.01244	2.9
85.02808	5.1
85.99944	0.4
87.00752	0.8
87.33617	0.3
89.02275	1.0
91.73307	0.4
99.00744	1.7
101.02310	10.0
110.40600	0.4
111.00737	1.0
113.02312	3.1
120.99509	0.8
142.34906	1.6
151.26071	0.4
159.02838	0.7
161.04457	1.0
161.61382	0.4
170.96935	0.4
180.86377	0.4
181.78308	0.4
230.21686	0.4
243.19606	0.8
300.02649	0.7
303.21683	0.8
405.25070	3.3
447.26022	4.2
464.25751	1.0
465.27054	100.0
466.27548	4.2
486.95459	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76416	0.2
53.49155	0.2
53.49680	0.2
55.01744	0.3
57.03305	0.8
57.51744	0.2
58.00443	0.4
59.00031	0.4
59.01243	18.4
59.60089	0.2
61.98670	0.4
71.01239	8.9
72.99147	0.6
73.02802	2.0
75.00710	0.2
83.01236	1.4
85.02798	3.1
86.78780	0.2
87.00719	0.9
89.01752	0.5
89.02298	7.1
95.01234	1.0
96.66668	0.3
99.00700	0.6
99.08025	1.4
101.02306	7.7
109.06458	0.3
113.02302	3.3
119.03365	2.7
125.02306	0.3
125.09576	0.3
127.11163	0.8
129.09106	1.4
131.03423	0.2
141.12727	0.4
143.10663	0.3
149.98727	0.3
153.12761	0.3
155.10661	1.1
161.04431	0.4
169.12251	0.3
176.36476	0.3
191.05513	0.5
213.45100	0.2
227.20235	0.5
235.16991	0.4
237.18608	1.7
239.20071	0.4
255.19576	1.5
255.47060	0.3
257.21201	5.3
258.21570	0.3
269.21127	0.3
271.22781	0.6
285.20724	0.8
287.22372	0.7
299.22366	0.5
303.21771	20.9
304.22061	0.7
345.22531	0.4
421.20758	1.1
447.25751	0.8
465.27057	100.0
466.21295	0.4
466.27408	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	467.0986
Annotation	Epigallocatechin 3-O-caffeate
Peak:m/z	Relative Intensity
51.06179	0.8
53.00212	0.9
55.83696	0.7
59.01234	3.8
60.01554	1.0
69.03304	1.2
71.01244	1.1
72.99168	5.4
73.08483	0.8
74.98956	2.6
81.03324	2.1
83.01235	1.6
88.98663	2.3
91.73333	2.1
93.03317	3.2
95.01247	1.5
95.04882	1.2
97.02800	1.8
108.02020	5.6
108.99817	1.7
109.02816	100.0
110.03121	1.6
111.04386	3.0
121.02788	1.7
123.00746	3.0
123.04366	3.3
124.01575	3.1
125.02322	31.2
130.84338	1.1
133.02927	1.1
134.03632	8.3
135.04379	4.5
136.99004	2.5
137.02325	17.3
138.03127	3.0
138.98616	1.6
139.03874	11.0
147.04330	1.1
149.02350	5.6
149.05956	6.1
151.03917	5.3
152.01059	2.9
153.01828	63.8
159.04494	1.3
161.02359	5.1
163.00301	3.8
163.03897	2.4
164.01076	2.9
165.01857	8.2
167.03418	11.2
173.05978	1.2
174.03186	1.2
175.03973	2.1
175.07574	1.1
177.01833	7.9
177.05495	2.1
177.12708	1.2
179.03383	7.8
191.03394	2.8
194.03761	1.1
203.03494	2.7
204.04312	1.2
213.01904	1.6
213.05565	1.9
214.06346	2.0
214.39766	1.1
216.11552	1.9
219.06610	4.7
221.04514	3.5
225.05537	1.6
227.03525	5.5
229.01413	4.4
229.04973	1.4
231.06589	11.6
233.11929	1.2
235.17021	2.0
239.03503	3.4
240.04283	4.8
241.04926	4.8
242.05841	3.6
243.03043	2.7
245.15536	3.5
253.05029	2.7
255.03036	1.9
256.03638	2.2
257.00870	2.6
261.07614	1.3
267.03049	4.2
268.03735	2.5
269.04568	14.2
270.05313	6.5
271.02472	1.8
273.07675	9.5
280.03833	3.2
281.04504	2.2
282.05283	5.0
283.06085	3.8
287.09186	2.1
296.06760	1.4
297.04117	3.5
297.07748	5.9
298.04816	32.4
299.05658	2.5
299.09210	1.6
305.06720	20.8
307.15497	1.3
311.05688	1.8
313.07193	73.2
314.07449	3.5
317.06659	16.4
319.15393	1.6
328.11880	1.2
331.08121	1.6
335.07663	3.5
341.10452	2.2
351.14478	30.9
363.14267	1.5
379.13950	2.0
407.13477	5.3
408.09842	1.2
421.11325	1.8
431.23056	1.4
467.09097	69.2
468.10098	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	467.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	3.9
66.24690	0.7
71.01225	0.8
72.99171	1.9
89.02234	1.1
91.46211	0.7
96.95881	1.2
101.02312	1.4
103.83260	0.8
113.02248	0.8
116.40689	0.7
120.99520	100.0
121.02858	5.7
125.02332	1.3
129.05473	1.5
134.03648	0.8
137.02354	0.8
146.03624	1.0
151.78160	0.7
153.01871	1.2
169.06430	1.7
173.04344	0.9
179.07063	1.6
179.14322	1.0
180.05824	1.1
181.06441	1.5
183.04437	0.9
185.06023	2.0
195.04640	1.1
196.05318	1.3
197.06000	4.6
208.05205	1.4
209.06024	2.8
213.05518	6.6
223.04022	2.0
224.04785	4.2
225.05544	11.6
226.05922	0.9
235.16801	1.0
237.05612	4.1
238.06252	1.5
239.03586	1.3
239.07048	1.9
240.04306	2.4
241.05040	26.7
242.05460	1.2
245.15501	1.7
252.07877	0.9
253.05046	13.0
255.06740	2.2
256.07416	12.9
257.04514	0.9
268.03928	1.5
268.07455	4.2
269.04614	8.5
271.06131	1.4
271.09775	3.7
280.03812	1.1
281.04559	4.3
282.05392	1.9
283.06223	3.2
283.09756	2.0
284.06952	3.4
285.04169	4.0
295.06149	1.7
296.06934	7.7
297.04028	28.8
297.07281	1.2
298.04678	1.0
300.06381	11.9
300.10031	3.1
301.06708	1.2
305.06604	0.9
311.05588	3.0
312.02747	1.2
312.06406	20.9
312.09726	1.6
313.87872	0.9
315.08817	65.8
315.12387	8.7
316.09171	2.1
327.08762	82.1
327.35092	0.8
328.09045	3.7
345.09720	1.2
345.13705	1.0
351.05072	0.9
351.14490	13.5
406.44412	0.9
407.13559	2.1
467.10062	2.0
467.25284	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1197
Annotation	Catechin-4-ol 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
57.03312	2.8
58.00418	0.4
59.01239	5.1
66.09893	0.4
68.86877	0.4
69.03311	0.8
71.01224	0.7
71.04903	0.8
72.99170	3.8
73.02797	0.6
75.00713	0.7
76.98219	0.4
81.03307	2.9
83.01222	3.7
83.04879	0.9
87.00730	0.5
87.21436	0.5
89.02310	0.7
93.03323	1.5
95.01237	1.2
95.04887	1.9
96.95860	1.8
97.02811	3.4
99.04386	0.6
101.02295	0.5
107.04881	0.9
109.02814	9.8
111.04366	4.9
113.02314	1.1
121.02807	2.4
121.03619	0.6
121.06460	0.8
123.00746	4.2
123.04374	1.2
124.01564	2.5
124.98650	0.9
125.02312	65.6
125.06403	0.7
126.02634	0.6
133.02890	0.6
133.06468	1.2
135.04372	1.8
137.02321	30.0
137.05969	0.5
138.03073	1.9
139.03886	16.0
146.65498	0.5
147.04399	1.1
149.02332	1.4
149.06013	3.1
151.03911	2.8
158.03543	0.5
159.04388	3.6
161.02304	2.9
162.03099	1.3
164.01041	6.0
165.01830	19.1
166.02530	2.6
167.03398	20.5
173.05981	1.1
175.03923	3.5
176.04675	0.8
177.01828	1.9
177.05496	5.4
177.12729	0.7
178.02594	1.0
179.03398	15.4
180.03986	0.7
181.04993	1.0
185.02499	0.5
189.05490	0.9
191.07086	1.9
193.05014	0.9
195.94810	0.5
200.04581	0.6
201.05473	1.7
203.03462	2.9
204.04230	2.5
207.13834	0.6
207.17580	0.6
216.11478	1.2
217.08469	0.6
217.15852	0.7
218.05766	0.7
219.06575	15.3
219.09859	0.6
221.04498	6.5
227.14244	0.9
229.16043	0.5
233.08269	0.5
233.11812	1.1
233.15572	0.6
235.17039	2.1
237.07687	1.0
243.06653	1.7
244.84824	0.6
245.15546	2.7
260.10626	1.6
261.07635	5.0
263.05597	0.7
271.13483	1.6
279.16116	1.0
287.05585	1.1
289.14395	1.1
305.06677	100.0
306.07092	3.6
307.15500	1.4
319.15646	0.6
329.08487	1.3
333.13565	0.8
351.14490	25.4
352.14816	0.7
363.14478	1.1
379.13974	1.5
387.12817	0.6
407.13318	3.9
467.11951	23.0
468.12415	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1326
Annotation	Atramycin A
Peak:m/z	Relative Intensity
59.01236	22.8
60.36086	2.2
71.01237	22.6
72.57088	2.4
72.99158	3.8
73.02795	5.6
81.67979	2.7
83.01211	2.5
84.72778	2.6
85.76245	2.5
89.02294	36.9
91.21436	2.5
91.73326	3.2
96.95865	12.8
97.02816	2.8
99.00748	6.1
101.02294	5.0
109.02733	3.3
115.03876	3.2
125.02319	31.3
130.81122	2.6
131.03380	6.0
133.27147	2.7
137.02312	3.4
137.05968	13.8
139.03883	9.0
149.04399	9.2
151.11186	2.8
159.97458	6.8
191.05614	5.5
229.99919	10.4
233.06592	18.1
241.00137	8.4
251.99396	8.1
293.08798	100.0
293.12137	5.1
305.10266	8.4
306.56113	3.5
351.14465	24.6
379.14185	3.4
407.13705	6.0
431.15527	32.4
467.13263	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73368	0.9
57.03308	2.7
59.01255	5.0
65.83032	1.0
71.04894	1.1
72.99155	6.9
81.03302	3.9
81.61929	1.0
83.01244	5.2
89.02324	1.3
92.97561	1.0
93.03315	4.6
95.01249	1.9
95.04877	4.1
96.95870	8.2
97.02812	9.0
99.04357	1.2
100.60543	0.9
101.02308	1.0
107.01263	1.1
107.04877	1.7
108.02035	3.6
109.02811	37.3
118.55648	1.1
121.02821	6.8
122.03628	3.2
123.00745	1.0
123.04387	24.7
124.76431	1.0
125.02316	27.6
133.02869	1.7
135.04405	4.9
137.02327	27.8
138.03111	1.9
139.03903	9.6
145.02824	3.6
146.03624	1.9
147.04382	3.1
149.02321	15.8
149.06007	1.9
150.03154	6.2
151.03914	18.8
153.01767	2.5
157.06470	1.2
159.04408	6.7
160.05119	2.4
161.02335	3.2
161.05997	10.8
162.03163	4.6
163.00267	1.2
163.03978	3.5
164.01050	5.4
165.01834	7.8
165.05490	1.9
167.03378	6.2
173.05965	2.8
174.03165	1.1
174.54054	1.2
175.03909	5.4
175.07553	3.9
176.01106	1.5
177.01846	5.6
177.05537	5.4
178.02658	1.4
179.03400	11.6
185.05986	2.3
187.03963	8.7
187.07535	1.0
188.04773	6.6
191.03464	4.4
197.05978	1.6
199.03961	1.6
199.07526	1.6
201.05511	2.0
202.06294	5.8
203.03465	2.1
203.07065	21.2
204.07426	1.3
205.04991	11.9
207.17674	1.2
211.07697	1.1
212.04716	1.8
213.05595	3.4
215.07086	13.6
216.11569	1.6
217.08698	2.5
219.02878	1.4
221.08205	3.1
225.05589	1.4
227.07135	4.7
231.03181	1.6
235.17056	1.4
239.07156	2.3
243.02856	1.5
243.06657	2.4
245.08156	23.8
245.15608	3.2
247.06177	1.9
257.08206	4.0
260.10510	1.6
267.06726	3.5
271.06064	2.3
279.15924	1.5
289.07187	100.0
290.07611	2.5
301.07208	24.3
303.09116	1.4
311.05630	2.5
333.13361	1.5
343.08130	1.6
351.14496	32.2
352.14996	1.5
363.14798	1.4
379.14072	1.3
407.13687	5.0
423.14813	2.5
425.01782	1.3
431.23053	2.3
467.13589	61.3
467.20032	4.2
468.13962	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	467.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	3.3
63.87822	1.1
69.03302	2.0
72.99162	4.9
81.03313	1.6
83.01244	2.2
88.98689	2.1
89.98615	1.1
93.03329	3.4
95.01248	2.5
95.04874	2.4
97.02826	3.3
107.01299	1.0
107.04885	2.3
108.02027	5.5
109.02814	100.0
110.03152	2.5
111.04377	7.9
113.02257	2.1
121.02810	4.1
123.00748	6.0
123.04389	7.3
124.01530	4.0
125.02316	53.2
133.02852	1.3
134.03622	14.6
135.04375	4.2
137.02322	25.4
138.03127	5.6
139.03905	19.4
144.40445	1.1
147.04375	3.0
149.02313	13.1
149.05992	10.0
150.03040	1.4
151.03873	10.4
152.01129	2.0
153.01820	65.4
155.03378	1.4
159.04417	2.8
161.02333	5.5
163.03903	5.1
164.01054	3.7
165.01811	12.0
167.03404	18.8
173.06038	1.2
175.03947	1.6
176.01042	1.1
177.01860	12.4
177.05431	6.4
179.03418	13.1
179.14316	1.3
191.03444	7.6
198.06686	1.4
201.05496	1.7
203.03435	3.7
204.04277	2.3
205.05019	1.4
213.05521	2.1
214.06439	1.9
217.04865	1.7
219.06580	8.5
221.04526	7.9
227.03464	7.9
227.06987	1.6
229.01318	3.3
229.05016	2.3
231.06607	23.2
233.11783	1.6
235.17023	2.3
239.03563	3.4
240.04276	5.2
241.01526	1.8
241.04964	3.3
242.05775	3.4
243.02867	2.1
245.15608	1.6
253.05022	2.8
255.02872	2.4
255.06616	2.2
257.00964	3.7
260.10803	1.7
261.07767	2.0
267.03018	3.9
268.03845	1.7
269.04547	14.0
270.05359	10.6
271.02493	2.3
271.05801	1.2
272.03171	1.9
273.07681	14.4
280.03760	2.3
281.04559	2.0
282.05399	4.5
283.06088	4.4
287.09204	5.5
296.06818	2.1
297.04282	2.5
297.07657	7.0
298.04813	32.4
299.05383	3.4
299.09180	2.4
305.06680	34.4
306.06921	1.4
307.15387	2.1
313.07187	74.5
314.07443	3.8
317.06689	29.0
327.08673	2.4
331.08203	5.1
332.68521	1.3
335.07669	1.8
351.14499	30.7
363.14499	2.2
407.13596	3.8
421.11374	4.1
467.09756	57.8
467.14249	24.6
468.10309	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	467.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30264	0.8
57.03305	3.1
57.03548	0.7
59.01234	6.9
60.26398	0.7
65.03825	1.0
69.03310	1.7
71.01251	1.2
72.99166	1.9
73.26405	0.6
81.03329	4.5
83.01255	5.9
83.04893	1.4
89.02310	0.8
93.03323	4.2
95.01246	4.6
95.04887	2.6
96.95891	1.8
97.02795	4.9
99.97970	0.8
105.03272	1.0
105.07715	0.7
107.04885	4.4
108.02063	4.5
109.02818	26.5
111.04377	12.8
113.02286	0.9
119.04888	1.3
121.02824	6.3
121.06453	1.1
123.00744	8.2
123.04380	8.0
124.01517	7.5
125.02313	100.0
126.02657	0.9
131.04874	1.1
131.85573	0.8
133.02809	1.4
134.03604	20.6
135.04404	7.1
137.02324	47.2
138.03104	11.4
139.03893	31.6
145.02832	2.1
147.04379	5.1
149.02328	13.6
149.05965	12.2
151.03894	16.0
155.03415	1.1
159.04384	3.9
160.05202	2.6
161.02371	5.1
161.05989	2.0
162.03104	2.2
163.00226	1.1
163.03925	10.6
164.01094	7.1
165.01828	20.9
165.05550	1.4
166.02675	2.2
167.03409	32.0
170.02182	0.8
173.05965	1.6
175.03894	6.5
175.07536	1.9
176.01006	2.6
176.04669	1.0
177.01852	22.7
177.05441	6.5
178.02614	3.4
179.03416	17.8
185.06097	1.1
186.06773	1.1
187.07542	1.5
188.04701	1.1
189.01892	1.6
189.05450	1.9
190.02675	2.1
191.03435	13.7
191.07059	1.9
193.05011	2.1
201.05496	3.4
203.03447	6.3
203.06956	1.0
204.04196	3.0
205.05032	2.9
211.07558	1.0
213.05550	2.2
217.05081	1.9
217.08676	1.2
218.05792	1.8
219.06619	13.5
221.04529	14.2
221.06520	1.2
225.05490	1.2
227.07088	1.5
229.04985	2.0
231.06596	37.1
232.06969	1.0
233.15016	1.0
239.07031	1.6
243.06670	1.7
244.07466	0.8
245.08192	1.5
247.02435	2.4
249.07666	1.6
255.06528	1.2
261.07782	5.3
263.05469	1.3
267.06717	5.4
269.00931	1.4
270.01538	0.9
271.06046	1.6
273.07693	22.6
275.09641	1.1
287.09268	8.0
289.14548	1.0
293.04544	1.4
299.05594	3.2
299.09302	5.1
305.06693	68.3
306.06866	2.1
311.05600	4.6
317.06674	36.8
327.08768	5.3
331.08316	6.8
333.13336	1.0
341.10257	6.1
351.14523	8.7
423.14688	4.3
449.12610	1.1
467.13556	50.2
468.13849	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	467.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.8
59.01242	9.1
62.70522	0.3
69.03307	0.4
71.01228	0.4
71.04874	1.1
72.76072	0.3
72.99165	14.0
73.02803	2.1
81.03304	0.5
82.19750	0.3
83.04897	0.5
85.02790	0.5
94.39491	0.5
95.04865	0.6
97.06434	0.3
99.04369	0.9
105.06966	0.5
111.04293	0.5
113.02310	4.0
117.06946	0.9
119.04957	0.4
121.02903	0.3
121.06448	0.6
121.10049	0.7
123.04343	0.3
123.08047	1.5
125.02324	2.7
126.09204	0.3
130.04099	0.7
131.04865	0.5
133.06448	1.2
135.04324	0.5
135.07985	0.4
141.01782	0.7
149.02373	0.9
149.05966	2.4
149.09599	0.9
151.11122	0.6
158.03514	0.4
159.04390	4.3
161.05946	1.0
163.11235	0.6
165.12737	0.6
167.10638	0.9
172.08823	0.6
175.07678	0.5
175.11185	0.5
177.05511	2.5
177.12732	3.3
179.10635	0.7
179.14333	3.0
187.07639	0.6
187.11130	0.4
188.08394	0.5
189.12785	0.9
191.07036	0.6
193.04993	1.6
193.12192	0.7
203.03468	2.1
203.14330	0.6
205.12270	0.8
205.15999	0.9
207.13916	1.8
207.17484	2.9
211.06021	0.4
211.83633	0.4
214.06259	0.9
215.10735	0.4
215.14403	0.9
216.11490	4.5
217.12312	0.8
217.15926	3.6
218.09439	0.6
227.14343	2.2
229.15912	2.3
233.11815	2.8
233.15376	2.0
235.17026	5.4
243.14143	0.4
245.11818	0.5
245.15456	9.4
246.57349	0.4
247.16969	1.4
249.14999	0.5
257.15457	1.3
260.10550	3.4
261.14932	0.7
263.16449	2.3
268.11310	0.4
271.13434	4.0
273.14975	0.9
275.16525	1.0
277.14450	1.3
279.15964	3.0
284.03159	0.5
289.14487	3.4
291.16083	0.8
301.14456	0.9
305.13843	2.1
307.15482	5.2
317.13962	0.9
319.15530	2.9
323.15067	0.8
333.13480	5.1
335.15021	2.0
345.13455	0.6
351.14505	100.0
351.31555	0.9
352.10959	0.6
352.14874	6.2
361.01077	0.3
363.14450	3.8
367.13992	1.1
368.14307	0.4
379.13989	5.1
405.02594	0.4
407.13510	16.2
408.13797	1.2
423.13199	0.4
474.42288	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00974	1.0
59.01244	12.8
61.98692	0.9
69.03315	2.3
71.01234	1.6
72.24471	0.7
72.99165	28.1
76.06797	0.8
76.79225	0.9
82.25423	0.8
83.04848	3.7
89.02309	0.7
91.05341	1.0
91.72778	1.7
97.02787	0.9
99.08009	3.1
101.02309	0.8
105.06945	1.0
107.56609	0.8
119.04913	1.2
121.02822	2.3
121.06468	2.5
121.10094	2.6
126.50539	0.9
127.07535	1.1
129.09084	12.0
130.09392	0.9
135.08043	1.7
137.09686	1.0
140.08289	1.0
141.41364	0.9
145.06424	1.1
147.04390	3.1
147.11694	2.3
149.05937	5.7
151.07532	1.3
151.11209	0.9
153.09084	2.0
159.04404	1.5
159.08054	1.4
160.08810	3.6
161.04709	1.1
161.05978	3.5
163.11252	1.6
165.05533	1.3
167.07019	0.8
169.06538	1.0
169.08588	1.2
170.07275	1.2
171.08080	1.3
172.08913	1.1
175.05031	0.9
175.61038	0.8
178.09895	2.2
181.12294	1.4
181.82899	0.9
182.07323	1.7
187.07547	7.1
187.11211	1.0
187.14792	0.8
188.08376	3.8
188.11954	1.2
193.04980	8.2
197.08142	4.4
199.14850	4.8
199.59917	0.8
201.16428	1.0
205.15918	1.3
207.17563	1.3
211.14799	1.9
214.06314	2.8
215.14334	1.7
217.15930	15.1
225.12729	1.3
226.06319	1.2
227.03517	1.1
227.14381	11.0
229.12431	1.3
229.15894	2.1
231.06589	3.6
232.07269	1.3
235.16995	15.5
239.09227	1.0
239.14429	3.3
244.09743	1.7
245.15425	10.5
255.02922	3.0
255.13887	1.4
257.15439	2.3
261.14938	2.5
263.16479	1.7
271.02353	2.0
271.13400	38.4
272.13882	1.5
273.15024	1.8
283.13434	3.0
284.03204	2.4
285.04211	2.3
289.14459	10.2
300.02802	2.3
301.14398	3.0
304.21967	0.9
307.15448	6.5
315.12482	5.3
327.12332	5.7
333.13483	23.8
335.14944	3.7
345.13376	3.8
346.57263	0.9
351.14511	100.0
352.14777	4.8
363.14520	21.1
363.19016	1.0
379.14026	10.5
407.13480	15.5
429.10312	1.1
431.09854	3.8
436.10992	1.1
450.64719	0.8
466.27194	3.3
467.20483	1.8
467.27649	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	467.1708
Annotation	Nigrasin J
Peak:m/z	Relative Intensity
59.00974	5.5
59.01243	61.6
60.01579	4.0
61.01672	4.1
61.98698	49.8
71.01244	33.8
72.99159	8.9
73.02798	7.6
73.52940	3.2
85.02807	8.5
89.02293	32.2
90.46092	3.9
93.03313	6.3
96.95863	10.5
97.02666	3.3
99.00711	5.4
101.02306	29.9
111.04395	6.6
113.02308	14.8
114.02615	3.4
115.03904	5.2
119.03345	11.2
120.99496	4.8
121.02795	5.1
125.02322	5.3
125.07554	3.9
127.03911	3.4
131.25652	3.8
143.03477	4.4
149.04448	3.6
161.04491	9.4
162.17938	3.7
165.85027	3.9
173.04485	17.7
177.01877	9.6
179.05510	9.2
207.13802	6.1
233.12042	3.8
247.13159	4.5
251.13011	6.5
268.60611	4.0
269.14017	4.8
270.01419	3.8
315.12567	4.8
322.80478	4.4
351.14508	39.7
406.21555	14.8
407.13297	5.8
407.22116	40.3
413.18533	6.0
431.19232	16.1
467.16684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88203	0.3
54.58437	0.4
59.01245	3.0
61.97367	0.4
61.98695	29.0
63.99127	0.4
71.01231	1.6
72.99175	0.5
89.02294	1.1
96.95853	0.8
98.42650	0.4
99.00777	0.6
101.02322	1.4
106.32521	0.4
108.02026	5.7
110.85132	0.4
113.02313	0.5
114.05506	0.8
119.03346	0.4
123.04393	0.4
125.02325	0.5
126.76128	0.4
127.04955	0.5
137.97496	1.1
138.01851	100.0
142.08531	0.4
149.63509	0.4
155.98125	0.5
159.68509	0.4
180.11340	0.7
189.03607	0.4
198.12308	0.4
234.11305	0.6
298.32144	0.4
351.14536	0.5
407.22241	0.7
423.18130	0.5
467.21481	0.5
468.09222	6.6
468.15115	1.1
468.20502	0.5
468.27823	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.3
60.75304	0.2
65.03820	0.6
71.01235	0.3
73.02803	0.3
81.03316	0.9
83.04878	2.2
90.59879	0.2
93.03315	9.3
94.82341	0.9
94.82981	0.6
96.95895	0.4
106.74455	0.3
108.92782	0.3
109.02821	0.5
111.04371	2.8
129.60323	0.3
137.02341	1.3
141.06995	0.7
155.03369	0.3
157.06480	0.7
161.02388	0.3
167.04912	0.6
167.95056	0.3
169.06471	2.1
180.05835	0.3
183.04459	0.5
184.05267	0.5
185.02405	0.6
185.05991	4.2
195.04442	1.3
196.05266	0.9
197.06004	2.7
198.03186	0.8
199.03932	0.6
210.03230	0.5
211.03937	5.1
212.04654	1.2
213.05516	15.1
214.05843	0.4
223.03972	2.4
224.04738	1.5
225.05524	3.4
226.02707	2.3
227.03439	1.3
229.05035	0.6
239.03462	3.6
240.04248	6.4
241.05028	13.3
242.02144	0.6
243.03146	0.5
251.03471	1.4
252.04279	0.7
254.02190	0.4
257.04550	0.5
267.03018	7.2
268.03778	4.9
269.04572	23.0
270.04987	1.0
284.03366	0.3
285.03998	0.8
295.02460	3.3
297.04037	0.3
312.02744	0.6
313.03555	78.9
313.18924	0.6
314.03940	3.0
327.05206	0.4
352.15097	0.3
355.04642	1.0
379.15631	0.5
469.07776	100.0
470.08163	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	469.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10860	0.2
54.31979	0.3
55.54887	0.2
57.98068	0.2
59.01237	0.3
61.38301	0.2
61.52912	0.2
63.39565	0.2
65.00187	2.7
67.01741	1.4
68.99676	1.1
69.03310	2.1
71.01213	0.6
72.97424	0.4
72.99165	29.2
73.00715	0.5
77.03810	1.5
81.03300	0.9
87.00745	0.3
88.02751	0.2
91.72791	0.3
92.99672	1.0
93.03313	3.4
95.04884	1.1
96.95873	0.3
97.06401	0.3
99.07994	1.2
105.03323	1.4
107.04880	0.7
108.02017	0.5
109.02840	0.5
119.04911	0.6
120.99152	0.3
121.02821	11.7
122.03623	0.5
123.04378	2.1
124.01491	0.3
125.09592	1.1
129.09084	0.7
133.02832	0.6
133.06447	0.6
134.03600	0.5
135.04384	2.8
137.02275	0.5
137.05960	0.7
143.04921	0.3
145.02846	0.4
145.06430	0.3
146.07193	0.4
147.00800	0.4
147.04398	0.9
148.97232	0.5
149.02328	32.8
149.09648	0.3
150.02850	0.4
151.03894	1.1
151.07472	0.4
153.05461	0.3
153.09091	1.1
156.05698	1.9
157.06474	0.4
158.07292	1.1
159.04431	0.7
159.08002	0.3
160.05177	0.3
161.02353	0.8
162.03064	0.3
163.03922	2.5
163.11154	0.4
165.05467	1.0
165.09084	0.4
167.03403	3.2
167.07074	1.1
167.10683	0.3
171.04393	0.7
172.05144	1.2
173.02274	0.5
173.05946	0.9
173.13335	0.3
174.03189	0.4
174.06750	1.0
175.03889	1.3
176.04695	0.7
176.95189	0.9
177.01843	100.0
178.02298	2.7
179.03442	1.3
183.04526	0.4
184.05258	1.8
185.05988	0.9
185.13312	0.3
186.06740	0.8
187.03935	1.2
187.07596	0.3
188.04659	0.4
189.05481	2.5
189.16338	0.3
190.02632	0.7
190.06296	0.5
191.03473	0.8
193.01279	0.4
193.04933	0.5
197.08112	1.9
199.03903	0.5
199.11096	0.3
200.04697	2.3
201.05489	1.9
201.09248	0.3
201.12753	0.8
202.02661	0.4
202.06255	2.2
203.03488	0.5
203.14276	0.7
205.01361	5.6
206.02042	1.3
207.10168	0.3
209.04491	3.1
211.07675	0.3
212.04721	2.5
213.01825	0.4
213.05551	0.8
213.12791	2.6
214.09923	0.6
215.03491	0.6
215.10675	1.2
215.14400	1.4
216.04269	0.3
217.05060	0.6
217.12411	0.7
218.05844	0.6
219.02907	0.3
219.13823	0.5
221.04541	0.8
225.12769	0.4
226.09850	0.4
227.03477	0.6
227.09171	0.3
228.04236	1.0
228.11652	0.4
229.05066	0.9
229.12289	1.4
230.05817	2.8
230.09337	0.3
231.10263	0.4
231.13858	2.0
233.15448	0.6
241.12337	3.3
242.09407	0.6
243.10321	0.6
243.13857	1.5
244.11174	0.4
245.11852	0.5
246.12666	1.1
247.13364	1.1
253.08693	0.3
254.09520	0.4
256.03723	0.9
257.11874	5.7
259.13397	3.9
259.15875	0.4
261.14969	0.8
269.11844	7.2
274.04901	0.6
275.12881	3.6
277.14417	1.0
285.11292	1.1
287.12897	8.8
303.12460	0.8
305.14011	0.4
313.10809	5.1
319.11884	10.7
320.12283	0.4
321.13397	0.8
329.10443	0.5
331.11850	2.4
347.11176	1.3
349.12875	1.9
351.14554	0.8
357.09634	2.1
375.10864	7.5
393.11948	21.8
394.12326	1.3
425.14539	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88571	0.3
53.54931	0.3
54.42830	0.3
55.42763	0.3
57.03327	1.7
57.03540	0.3
59.01218	0.4
59.93840	0.3
60.10077	0.3
63.57412	0.3
63.81251	0.3
66.42793	0.4
69.03298	0.8
70.14811	0.3
72.15276	0.3
72.99151	0.7
80.02505	0.6
81.03320	2.4
83.01248	3.7
85.02801	0.5
88.42361	0.4
91.05338	0.4
93.03300	2.0
95.01234	0.6
95.04886	2.7
96.95855	1.3
97.02808	5.2
97.38618	0.4
107.04848	0.9
108.02028	3.5
108.99247	0.4
109.02811	20.1
110.03127	0.4
119.04874	0.5
121.02837	3.6
121.06429	0.7
122.03593	3.1
123.04395	14.1
125.02314	11.1
129.03285	0.4
131.92023	0.4
133.02840	0.7
134.03581	1.0
135.04419	2.7
137.01317	0.7
137.02318	11.7
138.03012	1.2
139.03879	4.2
145.02817	1.2
146.03638	2.1
147.04416	2.5
148.05203	0.5
149.01347	0.5
149.02342	5.8
149.05948	0.7
149.09485	0.5
150.03087	0.5
151.03897	9.3
157.02785	0.4
158.03577	0.5
159.04425	3.9
160.05180	1.8
161.02332	3.2
161.05966	5.7
162.03125	1.9
163.00255	0.4
163.03918	3.1
164.01035	3.2
164.98138	0.8
165.01826	7.5
165.05478	3.8
166.02324	0.4
167.03442	2.1
173.05965	1.3
174.03154	0.8
175.03911	3.3
175.07510	2.1
176.04713	0.5
177.01855	1.3
177.05466	1.9
178.99785	0.4
179.03419	5.8
185.05966	1.2
186.06735	0.6
187.03926	4.6
188.04741	3.4
189.05463	0.5
190.02509	0.6
191.03384	0.4
193.01369	0.9
199.07622	0.6
201.05499	0.8
202.06302	1.9
203.03444	1.2
203.07074	13.0
204.04185	1.5
205.04999	10.2
212.04733	0.7
217.05057	1.0
217.08582	0.5
221.08073	2.9
227.07068	2.1
229.05150	0.9
230.05852	0.8
231.02895	1.4
243.03018	0.6
245.08179	16.8
247.06085	2.1
261.04041	0.5
269.08221	0.8
271.02402	0.4
271.06244	0.5
271.09760	0.8
289.07199	100.0
290.07489	2.2
309.10147	0.5
313.07306	0.4
315.08759	5.3
327.08789	8.0
337.03488	0.7
345.09741	1.4
363.23383	0.4
381.08170	1.3
423.13242	0.7
425.15616	0.4
469.15082	12.1
470.15692	0.9
473.54041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57724	1.1
55.90139	1.3
56.19872	1.4
56.98421	1.2
57.74297	1.5
59.01241	9.0
61.98711	2.2
64.69495	1.5
68.99681	1.2
71.01245	4.6
72.99174	8.0
73.64695	1.3
81.03315	1.4
83.01266	4.6
85.02834	1.6
89.02317	2.3
93.03329	5.5
95.01233	2.4
95.04906	2.8
96.95874	9.8
97.02824	5.3
101.02332	4.3
105.03340	1.4
108.02032	2.3
109.02821	26.4
111.00854	1.4
111.04404	7.4
113.02319	1.6
121.02855	5.5
122.03634	2.6
123.00745	8.1
123.04406	5.2
124.01540	7.0
125.02310	43.2
130.64662	1.6
134.03638	4.7
134.45131	1.4
135.04385	20.6
137.02322	19.1
138.03110	5.7
139.03880	18.2
144.88138	1.6
145.06506	1.6
145.96385	1.5
147.04454	2.0
148.05217	2.2
149.02377	6.8
149.05946	11.0
150.03117	1.8
151.03902	6.2
153.01836	6.7
155.03487	1.9
159.04373	4.0
161.02383	5.5
162.03084	2.3
163.03941	3.4
164.01123	2.2
165.01860	3.7
165.05424	3.1
165.33527	1.3
167.03397	18.9
167.10930	1.5
173.04509	2.9
173.05954	2.2
175.03972	4.5
176.04710	2.1
177.01857	7.5
177.05449	11.3
178.02600	3.8
179.03418	5.3
187.04228	1.9
190.02798	1.7
191.03400	1.8
193.05008	3.2
203.03459	6.9
203.05171	2.3
204.04253	3.3
206.09445	8.1
213.05623	2.3
217.05017	1.8
219.04788	1.6
219.06572	7.4
221.04498	12.0
221.11855	3.9
228.04182	1.8
233.41678	1.8
236.06796	1.7
243.37898	1.8
245.11949	3.7
247.02473	2.0
247.13461	3.5
269.04517	3.0
273.11365	1.7
289.10785	19.2
299.12817	2.1
301.10846	14.5
305.06711	4.3
313.03574	6.1
317.14218	2.0
328.09552	3.4
329.10217	18.0
331.11798	1.8
343.11914	13.5
353.15573	1.8
377.14383	3.3
379.15686	9.4
379.79138	1.7
383.15314	2.6
395.15414	3.8
406.96591	1.7
409.14722	2.9
409.20117	3.0
423.13019	1.9
425.16068	10.0
431.22775	5.0
451.14130	10.3
469.08389	3.3
469.15085	100.0
470.15652	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	469.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53718	0.7
51.48999	0.6
52.02129	0.8
59.12246	0.7
60.52207	0.7
61.98698	0.9
67.21061	0.8
78.19637	0.7
78.40896	0.9
83.57825	0.7
96.95881	0.8
99.91801	1.8
99.92439	23.6
100.93206	2.5
107.04906	1.8
115.91946	7.2
116.89498	1.4
116.92724	100.0
116.96317	1.1
117.92722	2.2
119.04932	0.9
121.02796	1.9
140.77269	0.8
150.39972	0.8
159.20203	0.8
161.02296	1.1
194.13615	0.9
196.04967	0.8
201.97298	3.1
205.96722	2.4
217.96693	1.0
218.97546	2.0
219.98230	3.3
221.96277	1.4
232.95599	1.1
232.99030	1.2
233.99861	1.2
237.95848	1.5
245.96284	4.9
257.34512	0.9
259.97858	1.2
264.94537	1.5
285.75320	1.0
291.03250	1.4
302.02530	1.5
321.22281	2.0
325.25339	1.5
341.08508	1.2
343.26569	1.2
369.24344	2.5
370.24872	1.1
371.24988	1.2
382.08682	1.7
387.25598	2.4
397.84070	1.1
417.11740	1.9
421.15094	1.7
425.14886	2.6
425.18082	2.8
439.15781	1.5
451.15881	19.7
452.16315	2.0
465.13736	9.2
468.87808	1.0
469.16919	37.4
470.17340	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	469.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72583	0.6
54.72470	0.6
57.17570	0.8
59.01243	19.1
61.98692	27.5
62.05318	1.0
62.05607	0.8
62.19388	0.9
65.03393	0.7
71.01237	12.1
74.47005	0.7
78.95761	0.8
85.02808	3.0
87.00755	1.7
88.98678	0.9
89.02296	18.2
91.72735	2.1
93.03269	1.7
95.01266	0.9
96.95848	4.8
101.02308	6.7
101.27008	0.8
105.89603	0.7
108.02033	1.1
108.04416	1.9
110.02332	4.0
112.11348	0.8
113.02299	4.5
119.03354	6.3
124.03941	1.6
125.02361	1.0
128.03427	1.7
131.03413	1.3
134.25195	1.0
136.07549	6.7
138.01843	18.7
139.02231	5.7
143.03423	1.2
144.04454	1.6
147.03131	5.7
148.03888	1.8
152.03416	4.1
161.04482	1.4
162.05505	2.5
170.06038	1.5
173.04460	6.6
179.05530	2.2
179.08165	3.1
186.09140	5.7
189.07889	1.0
198.05551	3.6
199.04865	1.8
199.06377	2.8
200.05811	1.6
200.10675	1.6
211.08861	0.8
212.07114	3.1
213.07999	18.3
214.07343	1.5
215.07970	0.8
227.08194	3.0
228.10396	53.8
229.09781	39.0
230.10242	1.7
231.11407	6.3
238.07404	5.5
241.06123	8.9
241.09792	1.5
242.06940	1.9
242.10587	1.2
243.07562	0.9
243.11414	3.9
244.09639	0.8
247.10872	5.3
253.09801	29.2
253.64642	0.9
254.08127	1.5
255.07747	2.3
255.11644	1.1
256.08517	14.6
258.10101	1.2
269.09415	1.3
270.10040	2.6
271.10901	100.0
272.11258	2.5
289.12030	1.5
295.11832	1.5
451.17206	3.9
469.18939	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	469.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72583	0.6
54.72470	0.6
57.17570	0.8
59.01243	19.1
61.98692	27.5
62.05318	1.0
62.05607	0.8
62.19388	0.9
65.03393	0.7
71.01237	12.1
74.47005	0.7
78.95761	0.8
85.02808	3.0
87.00755	1.7
88.98678	0.9
89.02296	18.2
91.72735	2.1
93.03269	1.7
95.01266	0.9
96.95848	4.8
101.02308	6.7
101.27008	0.8
105.89603	0.7
108.02033	1.1
108.04416	1.9
110.02332	4.0
112.11348	0.8
113.02299	4.5
119.03354	6.3
124.03941	1.6
125.02361	1.0
128.03427	1.7
131.03413	1.3
134.25195	1.0
136.07549	6.7
138.01843	18.7
139.02231	5.7
143.03423	1.2
144.04454	1.6
147.03131	5.7
148.03888	1.8
152.03416	4.1
161.04482	1.4
162.05505	2.5
170.06038	1.5
173.04460	6.6
179.05530	2.2
179.08165	3.1
186.09140	5.7
189.07889	1.0
198.05551	3.6
199.04865	1.8
199.06377	2.8
200.05811	1.6
200.10675	1.6
211.08861	0.8
212.07114	3.1
213.07999	18.3
214.07343	1.5
215.07970	0.8
227.08194	3.0
228.10396	53.8
229.09781	39.0
230.10242	1.7
231.11407	6.3
238.07404	5.5
241.06123	8.9
241.09792	1.5
242.06940	1.9
242.10587	1.2
243.07562	0.9
243.11414	3.9
244.09639	0.8
247.10872	5.3
253.09801	29.2
253.64642	0.9
254.08127	1.5
255.07747	2.3
255.11644	1.1
256.08517	14.6
258.10101	1.2
269.09415	1.3
270.10040	2.6
271.10901	100.0
272.11258	2.5
289.12030	1.5
295.11832	1.5
451.17206	3.9
469.18939	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	469.1847
Annotation	Toonaciliatin B
Peak:m/z	Relative Intensity
51.77583	0.7
55.64187	0.7
57.03312	0.7
58.72945	0.8
59.01243	7.3
61.98695	0.9
64.87369	0.7
68.00667	0.8
70.73306	0.7
71.01227	4.1
71.46953	0.7
81.03326	0.8
81.94774	0.7
82.57353	0.7
85.02806	0.9
87.00748	3.4
89.02315	3.5
96.95881	3.5
101.02332	2.7
109.02837	2.0
113.02328	2.5
115.03888	6.1
116.10871	1.0
119.03378	2.5
128.03426	1.2
143.03415	1.4
161.04433	1.0
173.04523	2.8
179.05511	2.9
193.08633	1.0
209.15442	2.5
236.10242	0.9
253.14587	3.1
271.15506	5.8
314.78464	1.0
433.20804	28.5
434.21277	2.8
436.10208	1.0
460.17865	1.0
469.18457	100.0
469.33426	2.3
470.18906	6.7
489.54858	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1845
Annotation	Toonaciliatin B
Peak:m/z	Relative Intensity
53.25562	2.9
55.69081	2.8
59.01236	11.7
71.01245	7.0
89.02287	4.6
91.72692	3.6
101.02287	5.0
115.00217	4.7
115.03849	10.3
173.04439	6.5
175.02422	14.6
188.37219	3.6
281.34711	4.5
377.70630	5.4
415.19720	7.2
433.20767	94.0
469.18427	100.0
488.97296	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.185
Annotation	Toonaciliatin B
Peak:m/z	Relative Intensity
50.66102	1.7
59.01251	11.3
71.01208	6.1
75.21425	2.2
75.76155	2.8
87.00747	2.1
89.02296	8.9
91.72633	2.0
92.94174	2.3
101.02322	3.6
105.01820	2.3
108.97126	2.1
112.67535	2.2
113.02302	4.2
115.00243	2.5
115.03858	10.5
119.03358	2.8
123.08002	4.8
173.04501	2.3
175.02307	4.9
179.05492	6.3
191.14378	5.1
201.68236	2.2
201.74211	2.4
209.15446	3.5
223.32594	2.3
253.14607	11.1
271.15536	4.6
433.20831	56.9
469.18393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69614	0.2
53.87196	0.2
58.72087	0.2
58.75834	0.2
58.99858	0.6
59.01241	100.0
59.02411	1.7
60.01572	0.3
61.98693	4.4
71.01237	6.9
72.99174	0.6
73.02798	0.2
83.01255	0.2
85.02808	1.1
87.00746	0.3
89.02297	13.0
95.01276	0.5
101.02299	3.5
105.71149	0.2
108.59676	0.2
109.02860	0.2
113.02302	3.4
119.03365	5.3
119.04161	0.4
121.02840	0.5
125.02315	0.4
131.03387	0.7
135.04469	0.3
143.03438	0.9
149.04446	0.5
153.01962	0.3
161.04512	1.0
179.03831	0.3
179.05525	3.3
236.89374	0.3
269.08112	0.3
280.77536	0.2
295.06238	0.3
352.14835	0.5
353.15329	1.1
377.14603	0.3
379.15814	0.9
409.14481	0.3
462.73480	0.2
469.12064	0.3
469.20520	0.4
470.11237	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.8
58.99937	1.3
59.01242	100.0
59.02376	1.8
60.01587	0.3
61.82508	0.2
61.98694	10.8
63.69285	0.3
66.96063	0.3
71.01239	8.7
71.04885	0.4
72.99171	1.7
73.02802	2.8
80.63329	0.3
83.01241	1.0
85.02812	3.8
87.00703	0.4
89.02299	3.9
89.02778	0.4
90.03200	0.3
95.01256	0.7
99.00755	0.8
101.02306	7.6
101.02954	0.5
113.02312	4.0
116.86469	0.3
119.03364	1.5
125.02377	0.3
141.01898	0.3
143.03412	0.8
153.01834	0.4
153.39999	0.4
154.23260	0.3
159.02933	0.8
161.04451	5.8
177.05557	0.4
179.05545	0.8
229.12389	0.7
245.15523	0.5
247.13487	2.3
247.15788	0.5
309.16046	0.3
351.10706	0.5
351.14389	1.9
352.14944	2.9
353.15039	7.1
379.15979	0.5
409.13937	1.2
409.18701	15.4
410.18979	0.5
415.53973	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74366	0.6
59.01233	2.0
61.98689	1.7
63.41267	0.6
65.03815	2.6
67.20406	0.6
71.01225	1.1
77.69127	0.5
78.95757	2.1
79.54506	0.6
79.71613	0.5
80.22687	0.6
81.03326	3.5
83.04877	8.5
93.00970	1.1
93.03313	69.3
94.03654	0.9
94.12820	0.7
96.02034	1.3
111.04380	22.8
117.03310	1.6
119.04900	2.3
130.42000	0.7
133.87051	0.6
137.02321	62.6
137.95462	0.6
138.02690	0.7
139.32198	0.7
145.02846	3.7
152.99524	3.8
155.03389	100.0
163.03951	1.0
277.21722	17.0
278.04785	0.9
353.14975	0.9
354.76340	0.8
371.22284	2.1
385.23746	2.3
405.90302	0.7
409.23657	1.0
415.24857	9.0
433.25940	21.7
434.26456	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43014	0.3
55.01743	0.7
57.03320	0.7
58.04048	0.4
59.01245	10.6
61.98696	3.8
66.26154	0.4
71.01235	5.9
72.99152	1.5
73.02805	3.2
73.74595	0.3
75.00729	0.5
83.01233	3.3
85.02795	4.8
85.99953	0.5
86.04643	0.5
86.05080	0.5
87.00722	1.4
89.02283	0.9
91.76817	0.3
95.01224	0.8
99.00730	1.2
101.02296	6.5
111.00747	1.8
113.02326	2.3
117.03319	0.4
141.01817	0.4
145.02817	1.3
174.01569	0.5
175.02385	0.4
188.52885	0.4
233.19046	0.8
245.19089	0.9
261.18625	5.1
263.20175	27.3
264.20627	0.4
305.21121	0.5
351.14532	0.9
352.14877	0.8
353.15067	3.6
409.14072	0.9
423.81711	0.4
425.25238	2.6
433.27563	1.8
469.24438	100.0
470.24896	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	469.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86946	0.6
52.48282	0.6
57.19565	0.4
59.01251	0.6
61.98688	1.6
77.15771	0.5
80.37887	1.0
80.38291	1.0
83.73097	0.6
85.26722	0.5
92.02547	1.0
98.94180	0.5
106.03451	0.5
106.04094	2.8
107.04893	3.9
107.70252	0.6
108.01956	1.0
117.14055	0.5
119.04894	13.1
121.02805	4.9
122.91357	0.5
133.06450	3.1
145.02895	0.8
161.09618	1.0
235.48813	0.6
243.17465	0.8
257.19141	1.7
264.10806	0.6
271.20694	63.0
272.21045	5.0
275.20209	4.8
278.24951	0.5
279.23267	1.1
296.67163	0.6
298.45859	0.5
315.92587	0.6
325.25369	15.3
326.25830	1.2
337.17850	0.8
343.26434	1.7
353.15182	0.7
359.22107	0.6
387.25446	100.0
388.25842	6.0
409.22452	0.8
415.24823	1.3
469.33252	1.4
470.17834	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	0.4
61.98689	0.4
62.77595	0.3
70.16168	0.3
73.11944	0.3
78.07644	0.6
83.43490	0.3
88.55576	0.6
88.71236	0.3
92.02523	0.7
99.08006	0.3
106.04103	2.9
107.04907	2.4
108.02007	0.4
119.04889	10.4
121.02819	4.6
133.06474	2.6
137.02319	0.3
161.09598	0.8
175.11212	1.0
189.12759	0.5
203.14386	0.8
217.15962	0.4
229.16110	0.6
231.17509	13.5
231.34995	0.4
232.17688	0.4
243.17514	0.5
257.19098	31.1
258.19449	1.0
279.23346	0.7
323.23868	1.8
325.25372	29.8
326.25751	1.4
343.26447	1.6
353.14874	0.5
363.25519	0.9
387.25430	100.0
387.45612	1.0
388.25754	6.1
409.23306	1.3
415.24924	0.6
470.17575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.7
59.01235	0.9
60.25462	0.5
61.98691	1.0
68.50921	0.5
70.48539	0.5
75.21078	0.5
79.95634	0.5
85.06451	0.5
91.06451	1.3
91.06961	1.1
91.72686	0.9
96.95883	1.9
99.08021	1.9
106.04118	1.4
107.04893	1.0
113.09574	0.6
119.04876	4.0
121.02830	2.9
122.54180	0.5
127.11172	0.8
133.06479	1.5
140.90874	0.6
147.02843	1.1
175.11215	0.7
203.14314	1.5
217.15962	1.2
229.15994	1.3
231.17508	5.2
243.17517	1.2
245.19063	4.3
259.20694	1.8
273.18530	3.8
273.21906	0.5
275.20340	0.7
279.23138	0.9
289.21747	10.4
301.21777	2.2
301.25006	0.5
325.25250	1.1
343.26431	64.6
344.26807	3.4
365.24655	1.0
387.25427	100.0
388.25748	5.0
409.23587	6.3
411.25391	0.8
436.41498	0.7
440.24927	0.7
469.27896	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	469.2587
Annotation	Withaferin A
Peak:m/z	Relative Intensity
50.75080	0.5
59.01210	0.9
60.16879	0.4
61.98694	5.6
66.97793	0.5
68.75762	0.5
78.95757	5.6
81.82342	0.9
91.72730	0.6
111.98438	0.5
117.03274	1.3
119.04877	1.3
121.02883	0.5
145.02798	3.1
147.63580	0.5
152.98201	0.7
152.99474	14.0
163.03928	0.9
171.00522	0.9
227.03206	2.3
241.21706	100.0
242.22012	4.8
245.04398	0.8
278.40366	0.6
311.16766	1.2
351.14728	0.9
352.14847	1.3
353.15195	3.0
354.32047	0.6
415.24960	9.1
469.25754	31.0
470.26337	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00773	0.5
53.63698	0.4
59.01241	1.0
61.98668	1.3
75.72187	0.5
80.37863	1.3
80.38339	1.0
89.34798	0.5
92.02532	0.9
93.03315	0.7
97.56824	0.5
98.32652	0.5
101.47335	0.5
106.04105	3.6
107.04897	3.0
113.35231	0.6
119.04889	12.8
121.02826	6.1
133.06494	3.0
145.02858	1.1
161.09595	1.0
175.11191	1.1
257.19031	1.6
271.20688	66.8
272.21060	3.2
275.20172	4.1
279.23343	1.9
323.23718	1.0
325.25372	15.1
337.17862	0.8
343.26361	2.0
387.25427	100.0
388.25684	5.2
399.63950	0.7
409.23267	0.8
415.25076	2.0
469.33429	1.1
470.17477	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52558	1.3
55.09712	1.4
57.02609	1.5
57.03300	3.4
58.00455	1.4
59.01242	24.0
61.98706	9.1
69.03313	7.0
70.40157	1.4
71.01233	20.5
72.99149	6.7
73.02792	2.7
78.95745	5.4
85.02807	13.9
87.00203	3.0
87.00730	41.2
89.02280	2.9
92.26689	1.6
96.95837	2.1
97.02808	10.6
99.00729	20.8
101.02328	1.6
111.00727	4.2
113.02323	2.3
115.03900	2.6
115.52464	1.5
117.03330	11.9
118.04102	2.9
118.44659	1.5
119.04871	14.5
121.02816	4.9
128.03354	3.3
129.01799	23.8
129.05534	2.2
135.68489	1.7
141.01790	6.9
145.02835	46.2
152.99440	5.0
159.02869	8.7
163.03883	10.3
172.24039	1.6
191.05562	16.6
215.01549	1.7
272.13989	1.8
277.21719	96.3
278.22028	4.8
291.23291	6.8
301.21774	2.3
345.24365	3.3
351.14453	2.3
353.15036	4.8
415.24921	84.3
416.25482	6.1
419.24185	8.0
433.25967	8.0
469.28073	100.0
470.28702	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	470.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99636	0.2
59.01234	0.7
61.86302	0.2
61.97549	1.4
61.98693	100.0
62.00027	1.7
71.46996	0.2
72.99170	1.2
74.99596	0.3
91.73243	0.3
106.84925	0.3
137.62364	0.3
137.85434	0.2
149.33296	0.2
150.10054	0.2
212.31607	0.2
218.16260	0.2
246.15762	0.3
298.39084	0.3
351.14688	1.0
352.14841	1.7
353.15063	3.2
354.15234	1.8
409.14301	0.7
410.14490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43126	0.2
59.01200	0.2
61.97433	1.9
61.98692	100.0
62.00092	1.4
66.86935	0.3
74.89002	0.2
117.74532	0.3
160.91490	0.3
172.29245	0.2
191.52937	0.2
217.15964	0.6
245.15497	0.6
263.97903	0.2
274.51013	0.2
333.13687	0.5
351.14539	2.2
352.14859	0.3
379.14209	0.3
407.13651	0.9
470.13254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.93
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69109	2.3
54.17686	2.8
59.01243	4.1
60.14227	2.3
60.73884	3.0
71.01237	7.0
71.33162	2.8
72.99160	7.6
74.99223	11.0
85.97209	3.1
93.06339	3.1
96.95853	15.8
99.00710	8.7
100.86215	2.9
102.98750	7.7
104.46702	2.9
112.86523	2.8
113.00813	40.3
114.98744	5.8
115.00237	5.0
117.00344	4.5
126.98759	15.8
129.00307	43.9
138.98763	8.3
141.00322	5.2
142.98215	4.5
154.98257	96.2
155.98349	5.7
156.99821	18.9
168.01387	4.2
168.02724	7.3
182.97849	8.3
186.91014	2.9
196.99368	3.7
204.99802	20.1
206.99036	3.5
210.97243	8.6
222.98654	5.6
225.99620	4.4
234.95001	9.1
236.96574	9.9
244.97929	34.0
246.94913	8.3
248.96542	13.4
261.99649	4.3
262.94595	4.8
264.96143	17.9
266.97589	8.1
274.94449	7.9
282.93274	7.0
290.93988	38.4
292.65607	3.5
292.95584	10.6
300.96954	8.0
306.93500	8.4
307.37805	3.0
312.96783	4.5
324.94510	13.9
336.94574	100.0
337.94821	5.9
338.92343	14.1
338.95654	15.7
340.96313	4.1
364.94122	10.8
376.61832	3.5
378.91937	5.4
380.93555	36.7
410.99380	5.5
452.91708	8.2
461.76437	3.5
470.93060	59.5
471.93127	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	471.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01478	0.5
58.31509	0.4
59.01250	2.5
68.18909	0.4
71.01227	0.8
72.99160	1.3
77.66658	0.5
79.95581	2.7
80.96361	1.6
89.02325	0.7
95.95081	0.5
96.95869	66.9
96.98270	1.1
99.04387	0.6
101.02310	1.0
108.02031	30.7
109.02826	1.1
121.02824	8.5
122.97440	1.4
123.04388	14.1
124.04717	0.5
134.03645	0.9
146.08150	1.0
149.02348	1.3
150.02635	0.6
151.95790	0.8
152.01042	74.5
153.01419	1.5
164.04684	10.9
166.50333	0.6
166.97278	1.1
167.03401	100.0
168.03746	1.7
177.01860	3.8
178.02180	2.1
179.02271	0.7
179.06999	0.9
190.02551	0.6
192.44443	0.5
208.03728	11.5
223.06078	68.3
224.06503	1.8
259.02817	5.4
285.00720	3.1
303.01810	37.7
304.02094	1.0
313.03549	0.9
391.10394	17.7
392.10733	0.9
411.20374	0.6
427.07016	12.1
453.04782	2.6
463.64236	0.6
471.06027	27.7
472.06509	1.0
472.17941	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85836	0.2
60.88884	0.2
66.17395	0.2
78.95758	2.2
79.95594	1.9
96.93127	1.1
96.95870	100.0
96.96759	5.0
96.98248	1.4
107.40678	0.2
125.02318	0.6
131.66454	0.2
153.94223	0.2
165.01921	0.3
179.03429	0.2
194.92809	0.2
217.05051	0.5
297.25961	0.2
298.31158	0.2
309.06204	1.5
342.56970	0.2
410.93655	0.2
471.11621	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71989	1.5
59.01249	12.6
61.98696	3.5
71.01229	6.7
72.99167	25.2
81.03320	6.0
81.81982	1.6
83.01233	2.2
83.04880	1.5
89.02264	2.4
93.03310	5.6
95.04858	1.5
97.02806	3.9
101.02288	3.3
109.02797	4.4
111.04379	2.3
113.02308	4.2
115.03893	4.2
119.03391	2.3
119.04895	2.7
121.02821	4.3
121.06510	2.3
121.10078	3.5
123.04395	5.1
125.02308	6.9
127.03896	3.4
129.09064	2.0
133.02792	2.0
135.04381	3.2
137.02318	6.6
137.05956	4.9
137.09616	2.4
147.04413	3.7
149.06017	2.2
151.07518	1.7
155.03418	4.4
161.02298	2.2
163.03929	3.0
165.05478	6.1
167.03394	16.1
167.10701	2.3
169.04987	10.7
173.04488	4.5
174.06828	3.4
175.03816	2.1
179.03479	4.0
181.08649	3.0
186.95418	1.7
189.05525	2.5
189.09149	4.1
189.12834	3.1
191.03438	2.4
195.04784	2.0
201.01825	2.3
201.05560	1.9
202.06384	3.1
205.08723	2.7
207.10205	4.9
209.04491	5.1
215.07207	3.5
217.12259	2.6
227.03357	2.3
228.04266	2.6
229.12227	3.8
230.09460	8.0
231.13914	8.0
235.09723	3.1
239.05623	4.2
241.12338	3.6
243.13899	2.8
247.13423	2.1
251.09294	3.9
253.10818	3.0
257.11844	3.1
259.13367	6.7
260.06931	2.9
265.18137	2.7
269.11749	3.0
273.07767	3.0
273.11191	2.3
275.12799	2.7
285.11298	4.1
287.12857	10.6
288.06238	2.2
289.14517	4.2
291.05283	3.5
303.12415	4.3
305.13998	7.0
307.08087	2.3
315.08755	38.0
316.09076	3.0
317.13904	9.5
320.09012	4.8
331.12009	5.4
335.15118	10.2
345.09772	8.4
349.12933	11.0
353.15942	2.5
363.14514	18.1
370.17123	1.8
375.10773	14.2
389.12155	4.3
393.12033	27.9
393.35526	2.0
403.10278	3.5
407.13516	49.8
417.11838	2.0
433.20993	5.1
435.12991	77.7
449.63431	1.7
453.14069	100.0
454.14575	3.0
471.15070	13.1
471.21405	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	471.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01010	0.8
57.03296	0.9
58.02841	4.3
59.01232	2.1
61.50737	0.8
61.98684	2.8
70.02831	1.7
71.01239	2.3
72.00769	13.1
72.99168	2.2
74.01904	1.1
74.02328	18.5
78.95789	0.9
82.02837	6.8
84.04399	7.5
85.02796	0.8
86.02315	0.9
91.05397	2.2
93.03329	2.8
95.04885	1.3
96.95866	13.0
99.08009	11.4
101.05981	7.7
101.07059	19.8
106.04100	1.3
108.04418	3.0
109.03957	3.4
111.05511	11.1
112.03924	1.3
114.05476	2.0
119.04937	1.7
124.03907	7.5
124.05173	19.2
125.02238	1.0
127.05007	10.5
128.03400	10.4
129.06580	6.7
130.08626	1.0
135.11661	3.5
136.03932	5.0
137.02434	1.0
139.05019	2.9
139.11191	6.8
145.05034	1.1
145.06062	22.0
153.12744	12.2
157.06082	56.1
158.06445	1.0
163.03909	4.7
163.11205	6.5
165.12744	1.6
166.09888	8.0
168.87318	0.9
173.04451	3.5
173.05833	1.1
174.01591	2.2
175.02304	1.0
175.11107	1.4
177.12769	3.8
181.12254	83.5
182.12566	3.2
183.04060	1.9
189.62302	1.2
191.05536	3.5
191.08244	1.4
192.13947	1.7
193.12253	5.1
201.05099	100.0
201.21320	0.9
202.05394	1.3
203.14113	0.9
209.09293	5.5
219.10240	1.5
220.13388	14.0
221.09270	1.4
227.14018	1.0
246.10081	1.4
269.10321	4.0
297.13428	1.2
303.17181	12.6
307.13849	1.0
319.16672	1.0
321.18210	12.7
347.16214	3.7
363.15762	1.4
365.17184	13.4
384.96030	1.1
391.14789	1.2
409.16180	3.8
427.17242	1.0
471.20258	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	471.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82443	0.6
58.02842	5.4
59.01244	2.6
61.98695	1.0
63.89262	0.8
70.02830	1.0
71.01236	2.1
72.00766	12.4
72.99168	2.9
73.99638	0.7
74.02332	19.0
82.02834	5.7
82.62878	0.8
83.05998	1.1
84.04408	6.5
85.02785	1.1
89.02319	0.8
93.03304	1.9
95.04858	0.9
96.95872	2.3
97.02824	0.9
98.02319	1.8
99.08029	8.7
101.02298	1.0
101.05952	2.6
101.07059	17.9
101.07690	1.5
108.04418	3.8
109.02812	1.6
109.03957	3.3
110.05975	1.5
111.04375	1.1
111.05523	10.3
112.03964	1.2
113.02305	1.5
114.05524	1.3
123.04366	0.9
124.03914	6.8
124.05156	5.6
125.03484	1.1
127.05008	9.0
128.03412	4.2
129.06569	7.6
135.04431	1.6
136.03928	3.6
137.02338	1.0
138.05505	7.1
139.05038	3.3
139.11180	5.2
145.06076	28.1
147.04459	1.9
153.01819	1.8
153.12778	2.4
157.00580	0.9
157.06082	56.5
163.11224	3.0
165.12819	1.1
166.09911	3.3
167.10619	1.1
173.04494	3.8
175.11110	1.6
177.12752	2.1
180.25882	0.8
181.12257	21.3
191.08115	1.1
192.13988	1.2
193.12291	3.8
201.05101	100.0
209.09251	3.8
219.10188	1.3
220.13408	8.5
221.09306	4.0
236.13235	0.9
237.08894	2.2
246.10112	1.0
255.09929	1.6
269.10443	1.0
281.07834	1.4
293.14035	1.3
297.13385	4.8
299.08951	1.5
303.17172	6.0
321.18106	7.7
347.16147	2.7
365.17194	9.5
383.18259	3.9
409.16025	2.9
427.17001	1.6
453.15213	8.5
471.15237	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	471.179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26253	0.5
57.03313	1.6
58.00450	2.9
59.00130	0.6
59.00969	0.9
59.01243	13.3
61.98679	1.5
71.01250	3.3
72.34689	0.5
73.02808	6.4
83.01216	1.0
85.02794	2.5
89.02290	1.9
96.95861	1.7
99.04372	0.7
101.02287	2.5
113.02273	1.2
119.03402	1.0
121.06465	1.2
139.07520	13.2
139.08585	0.7
154.99864	1.2
161.04453	1.1
170.77002	0.8
173.00829	0.6
189.12788	0.8
210.85347	0.8
235.15184	0.7
251.18007	3.3
269.19138	1.7
273.18750	1.4
285.18646	1.4
287.20065	1.5
301.18188	2.2
313.18124	1.2
331.19156	15.8
332.19476	1.3
349.20224	100.0
350.20575	5.3
391.21295	14.6
392.21466	1.2
410.10089	0.7
411.20251	2.4
429.21103	3.5
441.17728	0.9
471.19214	2.1
492.55203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42035	0.5
52.09527	1.3
52.09764	0.8
59.68130	0.4
65.81491	0.4
67.91603	0.3
75.24709	0.4
79.04325	0.4
99.92441	25.1
100.92537	0.8
100.93235	3.0
115.91941	7.3
116.89230	1.1
116.92722	100.0
117.92735	3.1
117.93495	0.6
119.04890	0.4
121.02837	0.9
135.39397	0.5
140.37347	0.5
142.24477	0.4
145.06430	0.5
158.76073	0.4
168.00179	0.4
168.72525	0.4
192.95894	0.5
201.97227	3.2
204.95865	0.6
205.96796	2.1
217.96678	0.6
218.97502	4.8
219.98257	4.9
220.95454	0.5
221.96274	0.8
232.95465	1.2
232.99051	1.5
233.99855	0.9
237.95683	1.2
238.96352	0.5
245.96275	5.9
246.96834	1.0
248.01245	0.5
259.97910	1.1
264.94406	1.0
280.99408	0.4
291.03308	0.5
291.44611	0.4
302.02612	0.8
303.03210	0.9
323.23920	0.4
327.27121	0.5
339.23318	0.9
342.05716	0.5
352.11655	0.5
367.22897	1.1
369.24313	1.8
396.10327	1.6
409.18329	0.9
419.13409	0.5
421.14972	0.7
423.16309	1.6
427.19833	4.9
428.19809	0.6
435.13712	0.6
439.15631	0.8
441.17578	3.2
453.17407	18.6
454.17838	1.7
464.25107	1.3
467.15277	4.7
468.15375	0.8
471.18445	55.0
472.18756	6.1
485.16437	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	471.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	1.4
59.01244	7.1
61.98684	1.1
67.01738	0.9
69.03307	2.8
70.29897	0.8
71.01235	3.2
72.99172	9.9
72.99547	1.4
73.02812	1.9
81.03315	1.6
83.04874	6.3
84.67702	0.9
85.02814	4.2
87.00745	1.6
89.02311	1.1
91.05363	0.9
93.03313	9.6
94.03654	1.8
95.04865	2.1
96.95880	2.8
97.02814	3.7
97.06476	1.3
99.04310	1.0
101.02287	1.5
104.85187	0.9
107.04903	2.6
108.02024	2.0
109.02824	2.5
109.06452	2.2
111.04378	6.1
113.02328	2.2
119.04889	8.5
121.02806	4.2
121.06436	5.8
123.04408	2.1
125.02280	1.4
125.09492	0.9
127.03855	2.6
133.02863	2.4
133.06461	2.5
134.03609	2.7
135.04382	3.7
135.08014	2.8
137.02312	1.5
137.05980	7.0
137.09531	0.9
139.03889	3.4
145.06473	11.1
147.04393	3.7
148.05220	5.4
149.02383	1.1
151.03876	1.4
153.09105	1.2
155.03430	3.0
155.10666	14.3
160.05165	0.9
161.02292	1.9
161.06059	2.3
162.03073	1.3
163.03902	3.9
163.07542	30.8
164.04807	0.9
165.05528	1.0
165.09164	1.5
167.10735	0.9
169.06502	2.1
173.06070	3.3
177.01811	2.3
178.16754	0.9
179.03389	2.9
179.07118	1.4
179.10689	18.4
181.08606	5.5
181.12282	1.6
185.06018	4.9
188.04698	5.9
189.05505	8.9
191.07111	1.7
193.12260	1.0
195.04330	1.3
197.06004	2.0
197.11806	4.1
200.08282	1.3
205.12329	1.2
207.06546	10.1
211.03992	2.0
212.04532	1.8
213.05556	17.4
214.05881	2.9
215.06180	2.9
215.14418	1.1
217.05067	1.4
217.12401	1.5
219.13817	1.2
223.04002	2.3
225.05531	4.2
226.02708	2.3
227.14354	3.5
229.12404	2.5
229.16011	2.9
231.13875	10.5
231.17424	2.0
233.15414	1.0
236.54620	1.0
239.03459	2.1
239.14407	1.2
240.04330	5.1
241.05042	17.2
242.05426	5.1
243.05708	3.8
245.15466	3.9
246.12627	2.0
251.03583	1.5
257.15482	13.3
263.16537	1.7
267.02982	3.6
268.03714	2.7
269.04559	20.9
270.04895	6.6
271.05176	7.0
273.15076	2.1
275.13126	3.2
275.16534	54.4
276.16766	1.3
285.14969	2.0
291.16071	1.4
293.17627	18.1
295.02426	2.6
297.03973	1.1
298.00995	1.2
301.14453	17.6
302.14725	1.3
303.15961	2.2
313.03543	68.9
314.00256	1.3
314.03940	29.2
315.04105	54.5
316.04279	1.9
319.15497	37.3
320.15744	1.2
329.13916	1.1
337.16580	54.4
338.16867	2.1
347.15070	7.0
355.17636	54.2
356.17993	1.9
365.16068	45.0
383.17133	57.6
384.17560	2.2
393.15598	41.7
394.15948	2.1
411.16611	35.2
411.21863	2.0
412.17075	1.7
453.08328	2.2
471.09155	100.0
472.08878	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2003
Annotation	Terretonin A
Peak:m/z	Relative Intensity
50.12867	7.2
50.45771	7.4
56.94161	8.0
59.01249	100.0
61.98702	24.1
71.01248	11.5
74.35097	8.3
85.02812	10.4
91.72781	10.2
93.72720	10.6
96.95911	25.1
101.02328	24.3
101.78742	9.2
148.70154	8.6
161.04576	15.7
168.37300	9.0
203.53117	9.9
359.71948	11.4
471.20230	99.4
471.26819	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2026
Annotation	2-Acetoxycaesaldekarin e
Peak:m/z	Relative Intensity
59.01242	2.6
61.98697	11.0
77.16466	1.3
94.17934	1.3
95.15130	1.6
121.02791	2.0
123.00749	20.0
123.04392	2.8
133.02838	1.7
135.04333	1.5
135.34126	1.4
138.03111	45.0
139.03545	1.9
149.04591	1.6
149.05916	1.6
153.05473	28.0
162.03192	1.7
164.04652	1.5
167.03394	5.8
173.05946	3.0
177.01901	1.9
180.04175	3.8
186.28351	2.0
195.06612	5.2
215.07106	3.3
217.12225	2.4
224.89070	7.5
225.90033	2.0
226.76016	1.9
239.91577	5.4
245.11722	11.0
257.11813	15.1
258.12619	1.9
269.08398	3.0
280.07693	2.2
295.06128	2.8
296.06924	14.4
297.07657	12.1
311.09293	9.7
312.10077	6.2
327.12585	8.9
370.96860	1.7
411.18127	100.0
412.18726	5.5
435.18442	3.1
471.20245	9.0
496.40128	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	471.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70179	0.1
57.92400	0.1
58.00441	0.2
58.99962	1.6
59.01242	100.0
59.02353	1.7
59.78888	0.1
60.01583	0.3
61.97355	0.2
61.98693	9.1
61.99895	0.2
71.01237	5.3
72.99176	0.4
73.02807	0.5
75.00706	0.1
85.02807	0.9
87.00729	0.4
89.02296	10.1
93.03308	0.4
95.01241	0.3
98.57801	0.2
99.00719	0.2
101.02303	3.2
104.81091	0.2
111.00735	1.9
113.02310	2.6
119.03357	3.8
119.13060	0.2
125.02364	0.2
131.03381	0.5
139.22859	0.2
143.03362	0.8
149.04530	0.5
153.01843	0.4
161.04419	1.0
173.04471	0.7
179.05524	2.9
195.06593	0.3
231.13908	0.3
249.15036	0.6
356.36456	0.2
411.20422	0.6
471.16434	0.3
471.22485	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97497	0.6
57.03302	0.7
58.00460	2.6
58.33459	0.8
59.01242	33.3
61.98692	2.2
64.01178	0.9
65.28591	0.7
69.03307	1.3
71.01241	19.9
71.01642	1.0
72.99154	1.1
73.02807	15.7
75.00738	2.1
83.01233	3.1
83.04884	1.2
84.02045	0.8
85.02833	4.5
89.02306	6.8
91.72720	0.7
95.01256	1.4
95.04848	1.2
97.02841	0.9
97.06445	2.8
97.42084	0.8
99.07988	1.0
101.02299	7.9
107.04848	1.2
109.06457	0.8
111.08051	0.9
113.02320	11.7
117.03326	3.8
118.04120	1.5
119.03363	3.4
119.04893	7.3
121.02825	2.4
125.05965	2.8
125.09608	1.3
127.07513	2.1
127.11132	0.9
133.02834	1.4
134.03601	1.0
135.04401	2.4
137.09627	1.0
138.45366	0.7
139.07524	3.1
145.02844	13.7
152.99510	3.1
154.68811	0.7
161.02377	3.0
161.04466	2.8
162.03098	0.9
163.03938	4.0
163.11304	1.1
177.16408	1.2
179.03378	1.5
203.14420	0.8
227.18045	5.5
229.19559	1.4
231.17429	1.9
233.19084	2.0
235.20625	2.7
245.19106	22.7
249.18591	100.0
250.19009	1.4
261.18390	1.1
263.20166	54.2
264.20789	1.1
273.18597	11.0
277.17862	0.9
285.18561	0.9
291.19662	21.9
291.22714	1.6
303.19748	4.2
307.19159	1.0
321.20886	5.7
345.20779	1.8
415.24942	10.6
417.26505	23.0
433.26022	8.9
434.26044	0.8
435.26813	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	471.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36849	0.3
50.50473	0.4
59.01234	0.9
61.98682	0.6
65.02913	0.4
65.88931	0.4
67.62122	0.4
69.92478	0.4
71.52970	0.4
77.33528	0.5
89.06244	0.5
91.57028	0.5
97.93043	0.4
106.04118	1.6
107.04893	0.9
108.02065	0.5
117.48895	0.4
119.04883	3.8
121.02818	2.9
122.02529	0.4
122.89230	0.6
133.06450	0.7
142.71106	0.4
149.09550	0.9
153.12662	0.4
177.09103	1.7
189.12762	0.5
191.14354	1.2
203.14365	6.6
219.13864	20.5
220.14082	0.7
231.17567	1.5
233.15491	1.1
275.20349	0.6
277.21741	4.1
316.35327	0.5
327.26953	31.5
328.27255	1.2
329.28430	1.0
342.28033	0.6
343.26465	5.2
345.28012	24.4
345.72885	0.6
346.28326	1.0
387.25528	1.6
389.26999	100.0
390.27283	4.9
391.14969	2.9
409.16086	2.5
410.30673	1.8
411.24750	0.6
413.26791	0.7
435.14063	4.0
453.31339	1.0
454.29630	1.0
471.32022	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.9
59.95070	0.6
79.77682	0.8
81.03314	2.7
88.64196	0.8
91.57001	1.2
92.02559	1.4
106.04128	2.9
107.04900	1.0
108.02035	16.1
119.04900	4.1
121.02840	4.1
133.06487	0.9
151.24908	1.1
155.02219	0.8
231.17508	2.5
247.17125	1.9
259.20685	12.1
275.20178	7.1
277.21820	1.1
327.26938	26.5
343.09122	1.2
343.26611	1.6
345.28006	60.4
346.28317	2.1
389.27017	100.0
390.27420	3.1
409.16052	1.7
435.13882	3.8
472.19211	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60489	0.3
58.36682	0.3
59.01219	0.4
67.88721	0.3
75.22679	0.3
78.59583	0.7
78.59987	0.4
80.74481	0.3
81.53533	0.4
81.53928	0.4
83.88752	0.3
85.06426	0.9
89.06239	0.6
89.06670	0.4
92.02505	0.8
92.22693	0.3
100.18651	0.3
106.04105	2.7
106.77419	0.3
107.04904	0.6
119.04872	4.4
121.02826	3.1
131.00981	0.3
133.06485	0.8
161.04271	0.3
161.09586	0.5
175.11098	0.4
185.33060	0.3
189.12753	0.5
193.07187	0.6
203.14337	0.6
217.16031	0.5
231.17488	0.5
247.20650	0.6
259.20667	33.3
260.21033	1.1
275.20200	11.5
276.20532	0.4
277.21735	30.8
278.22064	0.7
287.23572	0.4
289.21936	0.4
327.26944	38.8
328.27310	1.9
343.26331	2.8
345.28009	11.4
346.28345	0.6
389.26999	100.0
389.48581	0.7
390.27347	4.2
411.24719	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06070	0.5
59.01219	0.8
59.69974	0.5
61.98680	0.6
67.68203	0.5
79.18165	0.6
91.56932	1.6
91.57531	0.8
91.72688	1.1
93.03284	0.9
106.06980	0.6
108.02027	15.9
116.74641	0.5
121.02818	21.7
122.03603	5.9
123.04408	0.6
134.03539	1.4
137.76579	0.6
152.01048	1.7
178.86810	0.7
247.20634	5.1
248.17917	0.8
291.19666	4.6
301.21051	0.6
302.22592	1.3
344.27234	15.9
345.27991	100.0
346.28323	5.3
389.27005	92.6
389.32254	1.5
390.27188	5.8
405.87857	0.6
435.13898	2.0
471.27713	0.9
472.10855	1.0
472.19382	1.2
472.64716	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.4
61.98690	2.0
67.33257	0.9
71.01266	0.9
95.87965	0.9
97.41382	1.1
189.72685	1.0
241.51981	1.0
277.21725	100.0
278.22186	3.7
495.73813	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85719	0.8
57.78227	0.7
59.01244	1.4
61.50261	0.8
61.98688	10.9
68.28338	0.8
78.95757	10.9
90.67556	0.8
99.80658	1.0
106.04126	2.5
107.04904	3.4
119.04887	12.6
121.02820	5.6
133.06477	3.8
143.78891	1.0
152.99461	3.8
156.82948	1.2
180.43362	1.0
231.17506	22.4
245.19057	1.3
257.19104	38.0
258.19412	1.9
308.59802	1.0
323.23813	1.9
325.25378	32.9
326.25671	2.7
343.26456	1.7
387.25415	100.0
388.25708	7.2
389.26077	1.3
390.26541	1.9
414.61014	1.0
436.14426	1.2
437.13675	1.2
472.23038	16.0
472.29095	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	472.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.6
61.98691	20.7
88.48420	1.3
91.06495	1.2
91.72652	1.2
99.08008	3.2
105.33791	1.0
106.04100	2.7
107.04853	1.1
113.09612	6.6
119.04893	5.7
121.02832	4.8
133.06458	1.6
144.21880	1.0
162.07181	1.3
205.15776	1.2
217.15891	11.1
229.15976	7.6
231.17480	7.9
233.15643	1.2
243.17487	2.9
245.19151	5.7
259.20682	4.8
277.21664	1.5
278.22263	1.3
284.62015	1.6
289.21768	2.2
325.25235	1.5
328.27148	2.4
343.26428	66.7
344.26868	3.7
345.27634	1.5
346.28128	2.5
387.25427	100.0
388.25763	6.3
389.26926	9.1
390.27335	12.6
436.14301	2.1
472.10608	2.2
472.18619	1.5
472.23550	11.8
473.28473	5.8
475.74570	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71183	2.7
55.91908	2.9
57.03330	11.3
57.04376	2.5
66.49718	2.7
67.01744	30.7
67.02011	2.6
68.99673	3.2
69.03320	3.3
72.99223	3.1
79.01759	3.3
81.03340	12.1
83.01275	8.2
85.02781	3.6
87.11833	2.9
95.01243	100.0
95.01838	5.5
95.04929	6.9
96.95876	21.0
97.02834	8.8
99.04422	9.7
108.02047	4.2
109.02808	34.5
111.00758	4.9
121.02852	5.5
121.06464	4.1
123.00746	47.3
123.04424	6.6
125.02309	84.0
127.00256	19.5
131.04973	5.6
133.06445	3.6
137.02307	43.7
137.03223	3.7
138.03101	7.5
139.00302	5.1
141.01924	4.6
143.04944	8.8
145.06512	4.0
147.04407	5.8
149.02380	6.6
151.03944	13.8
151.48662	3.5
153.01826	26.9
155.04913	5.3
157.06487	4.2
159.04471	18.2
161.06042	13.3
163.00375	4.5
163.03896	3.3
163.36882	3.6
165.01791	19.5
166.02625	4.2
166.99770	87.0
167.03406	45.8
167.04782	5.4
169.01314	7.1
171.04488	11.2
172.05283	4.2
172.81897	3.3
173.02374	3.3
173.06050	10.9
174.03177	13.0
175.03966	10.7
177.01920	9.8
178.99731	4.1
179.03461	5.5
183.04451	9.0
183.65781	3.3
185.06038	7.4
187.03905	18.2
188.04720	5.4
189.05489	37.5
189.07074	3.5
191.03485	8.6
199.04021	13.3
200.04739	4.1
201.05492	32.0
203.03517	7.4
205.04990	6.3
211.04024	14.7
212.04739	5.1
213.02013	5.4
213.05589	9.3
215.03568	9.5
216.04279	6.9
217.05014	47.5
219.06633	5.9
223.07713	3.8
225.05403	3.6
227.03441	22.8
229.01453	4.2
229.04985	42.4
231.02966	4.6
233.04654	4.0
239.03557	8.7
239.07224	5.0
241.05145	17.4
242.02342	4.9
243.02959	28.4
244.03900	3.5
245.00798	4.9
245.04518	21.1
255.03047	20.1
257.04584	15.7
259.02530	8.0
261.04077	4.5
267.03101	9.0
273.04126	14.5
275.02768	3.1
275.05548	15.8
279.06656	4.1
281.08383	5.0
283.02698	7.0
283.06299	4.4
285.01328	4.1
285.04037	19.9
287.01959	4.9
291.05518	3.8
293.08298	4.6
301.03915	5.6
305.06778	6.3
321.07935	5.6
323.09305	6.9
327.05560	3.7
339.08847	7.8
341.10248	5.9
343.08218	3.6
349.07050	23.0
367.08304	32.9
369.06161	4.1
385.09222	7.8
393.05557	31.2
411.07474	10.1
429.08667	6.5
455.06393	5.9
473.07959	6.7
488.92148	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	473.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91259	0.6
54.70107	0.7
55.07848	0.6
59.01236	1.4
60.55134	0.7
71.70602	0.7
72.99173	1.1
74.30287	0.7
75.85217	0.7
79.95589	5.0
80.02531	1.3
80.96355	1.0
85.02823	1.0
89.02324	0.8
93.11081	0.7
94.97951	0.9
95.95081	0.8
96.95869	100.0
96.98343	1.9
97.39019	0.7
100.78479	0.8
104.49950	0.9
108.02030	31.8
109.02873	1.3
111.00761	2.1
115.98982	0.9
122.97453	2.8
123.04385	15.1
152.01044	78.3
152.05893	1.2
153.01761	1.2
157.28523	0.9
165.01846	1.1
167.03401	88.0
168.03728	1.4
173.04558	1.4
177.01871	1.5
180.04184	1.0
192.04170	1.2
195.06540	1.4
201.08665	1.3
225.07547	1.1
240.71745	0.8
305.03366	8.8
311.10370	2.4
452.38919	0.9
453.82339	1.1
473.07614	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55696	0.4
58.99939	1.3
59.01241	100.0
59.02373	1.7
63.57367	0.4
83.69576	0.5
86.06661	0.4
105.80597	0.5
108.02012	1.1
111.00731	0.6
123.00753	0.6
124.01575	0.7
134.03601	2.2
135.04414	1.5
137.02301	0.6
145.37886	0.4
152.01050	3.1
166.02679	1.6
167.03398	31.4
168.03717	0.7
172.95601	0.4
179.03464	0.6
245.11905	1.5
358.68289	0.8
364.55612	0.4
395.15112	0.7
429.26688	0.7
473.25500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26847	1.4
71.51863	1.5
99.92435	18.9
100.93217	1.6
100.98876	1.4
102.38900	1.4
111.37015	1.4
115.91940	6.6
116.92722	100.0
201.16997	1.4
201.97269	4.1
205.96692	2.4
218.94710	3.0
218.97473	1.9
219.98317	4.5
245.96228	4.9
288.81686	2.2
329.28522	6.2
330.28680	2.0
381.98801	2.0
393.16333	2.4
411.17523	2.9
429.18134	10.0
429.22220	3.4
437.15726	9.7
443.18961	6.0
455.19214	2.8
462.29858	2.2
473.20041	73.2
474.20773	3.8
487.18158	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	473.2
Annotation	sildenafil
Peak:m/z	Relative Intensity
51.76653	0.6
52.16924	1.6
58.07369	0.3
59.21577	0.3
59.84245	0.3
65.28336	0.4
65.96837	0.4
69.24862	0.3
74.58553	0.3
84.93720	0.4
99.92439	22.5
100.92606	0.5
100.93211	2.2
115.57413	0.4
115.91196	0.6
115.91944	7.3
116.89319	1.3
116.92722	100.0
117.92722	2.0
117.93472	0.4
121.02823	1.1
130.37329	0.5
188.04517	0.4
201.97217	3.8
205.96700	3.0
206.97470	0.4
215.98747	0.5
217.96681	0.7
218.97473	4.2
219.98312	4.7
220.95529	0.6
221.96164	0.9
232.99075	0.9
234.97092	0.4
237.95671	1.5
238.96455	0.5
245.96272	4.1
246.96805	0.6
259.97864	0.6
261.02274	0.7
286.06702	0.5
288.00638	0.4
289.05246	0.9
325.25433	0.6
341.24942	1.1
343.26389	1.6
351.80682	0.4
369.24390	1.6
371.25992	1.9
373.27341	0.6
411.20071	0.8
425.17993	0.8
429.21158	9.3
441.17184	0.7
443.19022	6.5
444.19168	0.5
455.19086	5.4
456.19757	1.1
461.19565	1.0
462.29221	1.5
469.16791	1.2
473.20016	69.1
474.20209	4.9
487.18005	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	473.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82767	0.2
54.10641	0.2
56.37470	0.3
59.10904	0.2
61.67862	0.2
62.07188	0.3
64.74551	0.2
93.51276	0.2
116.92720	0.4
117.73833	0.3
128.29509	0.3
131.04895	0.5
146.03572	0.3
147.04399	0.4
157.06477	7.1
159.04419	2.0
160.05203	1.1
171.04417	4.8
173.05997	0.6
174.06755	0.4
185.05995	17.2
186.06784	6.9
187.03957	2.0
187.07323	0.3
188.04677	0.3
201.05573	3.9
205.15846	0.4
213.09190	0.6
217.12270	1.0
229.02600	0.8
229.12309	100.0
230.12660	3.5
243.10277	1.1
244.11028	14.1
245.11821	5.3
267.52362	0.3
268.69479	0.3
358.48441	0.3
473.22818	4.3
473.29578	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	473.2913
Annotation	Methyl lucidenate Q
Peak:m/z	Relative Intensity
51.57561	0.4
51.87263	0.5
55.17208	0.4
59.01242	0.9
63.00536	0.4
67.68306	1.2
67.68633	0.6
75.39189	0.5
76.19262	0.6
85.94781	0.5
95.04908	0.6
105.03317	4.1
115.10976	0.5
117.03316	0.7
121.02821	0.7
132.02039	8.2
133.02834	21.4
134.03616	17.7
135.04405	4.9
137.02318	3.8
139.03941	0.8
148.05191	5.1
149.06009	1.5
150.03142	0.8
152.79723	0.6
160.01555	45.6
161.02345	8.4
161.05986	4.1
162.03064	1.1
175.03915	100.0
176.04243	2.0
177.01781	0.9
178.02599	2.6
179.03371	3.0
193.04970	8.6
204.11395	1.0
205.15910	2.8
233.08188	2.2
247.09784	1.9
249.02345	0.6
261.11285	1.0
275.12817	1.5
297.24390	12.2
329.17725	1.6
330.18112	1.0
343.19284	3.1
357.20490	1.0
371.22244	1.4
373.27545	2.1
426.65228	0.6
441.26471	5.2
447.38251	0.6
457.25143	1.6
458.26443	0.7
473.28979	80.6
474.29712	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	473.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09217	0.2
56.05643	0.4
58.27116	0.3
59.01230	0.8
73.02799	0.3
81.74123	0.3
89.02285	0.4
89.31840	0.5
89.32313	0.4
98.54169	0.3
117.43603	0.3
183.99713	0.4
193.07095	0.9
205.15923	9.0
279.23297	100.0
280.23645	2.8
364.49585	0.3
391.14981	0.6
393.14529	0.4
409.15930	0.4
411.16147	0.5
418.23685	0.3
418.57748	0.3
435.14001	1.5
437.13522	1.8
457.25272	4.6
473.28271	27.9
474.28537	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	473.3276
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
53.74337	2.4
57.03296	2.8
59.01239	3.6
66.71999	2.7
69.03316	5.4
72.06262	3.1
80.60438	2.7
91.72812	5.1
94.23225	2.7
107.04890	6.0
109.06458	88.9
113.72968	2.9
128.13922	2.9
131.23482	3.0
134.03673	3.3
160.01552	6.1
175.03928	17.4
181.07890	3.3
192.57596	3.4
205.15926	26.5
317.28659	4.2
355.30151	5.1
357.31744	45.4
362.89685	3.7
385.34802	21.7
411.32745	13.8
429.33704	72.4
430.34067	4.7
457.25137	21.8
473.28177	100.0
473.32959	87.0
474.28000	6.3
474.33719	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	474.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.1
59.01247	5.2
61.98693	26.4
63.15589	0.5
65.50266	0.5
68.58179	0.5
71.01234	1.2
71.25108	0.5
71.61459	0.5
72.97407	1.4
72.99166	100.0
73.00708	1.6
73.02792	0.8
73.50845	0.5
74.65773	0.5
89.02322	0.9
90.31703	0.6
99.04373	1.8
101.02335	1.3
111.04372	3.0
113.02309	2.7
125.02283	2.9
134.24672	0.7
135.08046	0.9
163.07568	2.4
175.11267	0.6
184.81537	0.6
207.06561	6.3
207.10220	1.8
217.97787	1.7
218.09468	1.3
225.07750	1.4
255.27779	0.7
257.00845	1.2
265.48801	0.7
273.15118	0.7
275.13016	1.5
275.16504	0.7
284.03409	0.9
301.14630	1.3
319.15515	24.0
337.16611	9.4
411.16644	75.6
412.16895	3.2
474.91681	0.7
475.08783	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62909	1.1
59.01247	7.8
61.97449	2.1
61.98695	100.0
62.00077	1.5
67.39144	1.0
71.01223	2.0
72.99166	31.8
73.02808	4.5
75.00703	1.3
80.99653	1.1
85.02806	2.9
89.02299	3.6
91.72716	1.6
93.03371	1.3
96.29464	1.1
96.95854	8.0
97.02800	2.3
97.06464	1.1
101.02329	2.7
109.02793	2.9
113.02311	4.3
123.04354	2.5
124.01552	3.3
125.02312	12.6
126.34804	1.2
139.03876	6.2
141.01826	2.3
153.01808	2.2
154.09538	1.6
165.09029	1.8
177.01869	1.8
206.08394	1.3
217.15863	1.8
219.13887	2.3
224.73485	1.2
231.17490	9.2
233.15457	2.2
245.11801	2.1
257.15567	5.5
263.12939	2.8
275.16562	9.3
293.17679	10.4
297.00223	1.6
319.15555	9.1
323.70364	1.4
337.16611	50.9
338.17078	1.8
379.16113	2.1
379.94705	1.3
383.13437	10.7
397.16843	3.4
411.16724	50.6
439.12415	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	474.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01023	0.5
59.01247	5.1
61.97460	1.3
61.98694	75.1
62.00030	1.3
67.64735	0.6
71.01210	1.1
71.04862	0.7
72.99168	41.6
73.00889	0.8
73.02799	2.3
75.00716	1.4
75.52499	0.5
85.02824	0.8
87.00725	0.8
87.44681	0.5
89.02329	0.6
91.72894	0.6
92.85248	0.9
97.02825	1.1
99.04386	0.9
105.03602	0.6
107.04868	0.7
109.02834	1.3
113.02311	2.1
123.04350	0.8
125.02309	22.6
151.11107	0.8
153.01849	0.9
153.12666	1.0
163.07491	1.2
165.12772	2.6
165.64755	0.8
177.12776	2.4
183.13867	1.5
189.96776	1.1
191.14369	1.3
193.12303	5.0
205.15939	0.7
211.13422	1.0
217.15948	1.2
219.13930	1.5
224.02626	0.6
229.15985	1.4
231.17450	2.8
233.15443	1.4
235.17009	1.8
245.15503	0.9
247.17020	2.0
257.15515	5.1
265.18253	0.7
273.15198	0.9
275.16547	8.3
277.14404	0.7
291.16040	2.9
293.17505	1.3
301.14175	0.6
319.15521	32.4
320.15720	1.8
337.16595	100.0
338.16959	4.2
360.87109	0.8
383.13657	1.4
409.16888	0.7
411.16644	66.1
412.16928	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	474.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44278	1.2
55.44505	0.6
57.84857	0.4
58.02610	0.4
58.02852	3.7
59.01235	2.4
61.29002	0.5
69.03301	0.6
70.02833	1.2
71.01229	0.9
72.04391	0.9
80.04915	1.5
82.02845	1.0
83.01225	1.8
84.04397	5.7
84.60479	0.5
85.02781	1.0
86.02333	0.5
86.05965	0.7
86.80293	0.5
87.05504	6.1
88.03896	18.8
89.02291	2.1
94.02829	0.8
96.04404	1.6
97.03918	1.4
98.02343	2.1
98.05979	3.2
99.00736	1.2
100.03904	9.2
100.49765	0.9
100.50305	0.7
101.02282	0.8
101.07052	1.1
102.05467	25.5
111.00714	1.2
111.47819	0.6
112.03903	3.3
112.07531	0.9
113.03429	0.9
113.07049	3.3
114.05459	2.0
116.07056	5.2
123.05496	1.4
124.03913	20.6
125.02335	0.6
127.99326	1.1
128.03406	92.8
128.07080	1.3
129.03737	1.1
129.10213	15.3
136.03908	3.1
139.08643	0.7
140.03400	2.8
141.06555	5.0
142.04988	9.9
143.43178	0.6
146.04478	16.6
154.42168	0.6
155.08167	1.0
159.07649	1.7
160.06046	6.3
166.05028	0.7
170.04588	0.7
173.09236	2.1
183.11354	0.7
184.06070	1.4
185.09306	0.6
201.12364	1.2
202.07149	8.0
227.10403	0.7
245.11469	5.5
271.52795	0.5
274.09311	6.3
287.55301	0.5
345.13043	74.9
346.13376	3.5
430.18283	3.3
456.16211	1.0
474.17319	100.0
475.17676	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	474.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44292	1.3
55.44524	0.6
58.02839	3.9
58.88259	0.5
59.01235	2.3
63.79395	0.6
65.69086	0.6
66.33827	0.6
69.03310	0.8
70.02831	2.3
71.01244	1.8
72.04387	0.7
74.02341	0.8
80.04909	1.7
80.97836	0.6
83.01236	2.4
84.04411	5.7
85.02780	1.1
87.05486	5.8
88.03896	20.6
89.02307	3.7
91.72729	1.4
94.02800	0.7
96.04398	2.7
96.95870	2.1
97.03931	2.0
98.02328	2.2
98.05976	4.4
99.00742	2.2
100.03905	8.9
100.49773	1.2
100.50287	0.8
101.07042	0.8
102.04794	1.4
102.05466	24.8
107.87223	0.7
109.01667	0.8
112.03926	3.5
112.07535	1.5
113.02342	0.7
113.07067	3.0
114.05451	1.2
116.07026	4.7
123.05498	1.3
124.03911	19.8
125.02301	1.6
126.05497	1.2
127.99683	1.2
128.03406	88.4
128.07550	1.0
129.03737	0.9
129.10205	16.0
136.03909	2.6
138.05421	0.8
140.03416	2.5
141.06578	4.9
142.04965	8.5
146.04471	17.3
154.05014	1.5
155.08157	1.2
159.07628	2.8
160.06035	8.3
173.09233	1.9
183.11275	1.0
185.09235	1.5
185.62071	0.7
194.87738	0.7
199.07114	1.0
199.81839	0.8
201.12511	1.7
202.07108	7.6
222.03120	0.8
227.10278	0.9
245.11369	5.0
274.09384	6.6
345.13049	77.4
346.13379	3.4
430.18390	4.0
474.17319	100.0
475.17719	5.1
491.27603	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11547	0.1
52.28024	0.1
59.01242	0.7
61.97227	0.8
61.98692	100.0
61.99949	2.0
78.95773	0.6
100.30824	0.2
110.94559	0.2
117.03326	0.3
119.04914	0.3
126.64382	0.2
129.36304	0.2
131.98088	0.2
145.02856	0.5
146.03194	0.3
152.99512	0.4
159.50096	0.2
167.60870	0.2
192.34319	0.2
195.60083	0.2
268.15237	0.2
277.21664	1.4
322.99164	0.2
417.26962	0.2
418.26877	1.1
423.29391	0.2
439.15643	0.2
474.26413	0.6
497.93625	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	474.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62579	0.9
52.57537	0.9
53.00517	0.9
53.51688	0.9
56.24708	1.1
60.32484	1.1
61.98690	6.9
66.25298	1.2
81.19385	1.1
85.14628	1.2
90.57755	1.3
99.48058	1.2
105.24994	1.1
108.02035	16.9
119.19360	1.2
121.02827	20.1
122.03612	6.9
143.26694	1.4
152.01033	1.8
205.15923	4.7
206.16267	3.4
247.20670	11.7
248.20999	1.3
254.30655	1.2
291.19733	9.6
344.27167	18.0
345.27994	100.0
346.28275	4.4
370.56818	1.6
389.27002	83.8
390.27240	5.8
458.25583	4.7
473.28152	8.1
474.23682	8.6
474.28595	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	474.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22606	0.8
57.37360	0.8
57.55100	0.8
60.71923	0.9
61.98693	12.3
93.03308	1.0
98.77269	1.1
102.50788	1.0
106.04135	2.0
107.04922	1.3
108.02088	1.5
110.12054	0.9
119.04909	1.9
121.02865	5.3
136.49229	1.0
152.89642	1.2
164.99565	1.1
173.85516	1.0
184.24829	1.1
205.15871	8.8
206.16209	5.0
279.23227	9.9
280.23621	11.7
299.24292	1.1
309.07809	1.3
327.27094	3.2
343.26471	2.2
345.28000	100.0
346.28314	3.9
389.27011	79.5
390.27313	3.9
392.15628	1.4
410.16284	2.1
412.16165	1.9
436.14291	3.4
438.13934	2.3
457.25006	1.9
458.25467	4.1
473.28116	11.2
474.29385	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	474.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30566	0.9
59.01236	3.0
61.98681	1.2
72.33681	0.9
78.95760	21.3
80.87770	0.9
85.99096	1.0
96.96770	1.1
111.10390	1.0
140.01106	6.8
149.41081	1.0
152.99509	3.0
167.72813	1.1
167.83447	1.2
183.23557	1.1
191.62714	1.0
196.03705	14.5
214.04758	2.9
277.21732	100.0
278.22113	3.5
306.97305	1.4
383.13779	2.5
474.26248	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	474.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19949	0.3
56.83844	0.4
59.01231	1.4
61.98682	0.9
78.95757	10.9
89.52515	0.4
96.96843	0.6
125.02289	0.7
129.83867	0.4
133.02769	0.6
134.03697	0.5
140.01038	2.4
152.99440	2.0
171.00537	0.9
196.03703	1.2
196.64427	0.4
214.04839	3.8
259.20648	0.5
277.21729	100.0
278.22147	3.0
361.28918	0.4
383.13443	0.8
399.14520	0.4
409.16614	1.7
429.55249	0.5
474.26260	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	474.2857
Annotation	Progeldanamycin
Peak:m/z	Relative Intensity
59.01234	1.2
68.99667	3.5
71.01241	1.7
73.57617	0.7
78.95756	1.0
85.01551	0.7
85.46070	0.8
86.02314	1.0
92.04899	2.5
96.99168	2.2
97.99957	1.9
104.04897	0.8
106.06476	2.3
116.04916	8.8
117.03324	1.3
119.04857	1.5
119.43842	0.7
120.04343	0.8
121.02820	1.2
134.05972	2.3
144.04457	4.5
145.02817	3.9
146.05928	2.0
160.03937	1.9
162.05507	5.1
172.03970	2.7
175.06276	1.1
189.47543	0.9
201.04283	1.5
223.20647	5.0
277.21811	2.3
288.23492	1.0
322.25394	3.4
338.24860	1.8
340.26413	5.4
352.26498	3.4
353.34814	0.9
355.25354	1.1
356.25769	1.3
358.27612	3.0
368.25952	1.1
370.27319	0.9
386.27023	35.2
387.27438	2.1
414.26532	23.0
415.24930	5.5
416.25244	1.6
418.25677	1.1
430.36938	1.1
474.28644	100.0
475.29147	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	474.9858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44629	0.3
56.17172	0.4
71.01244	0.6
75.97094	1.0
75.97458	0.6
78.00478	0.4
79.95627	1.0
80.96352	1.6
85.02827	0.5
87.00722	0.8
96.93286	1.0
96.95869	75.7
101.02314	1.1
109.02819	13.2
109.76731	0.5
113.02325	0.7
123.04382	1.0
125.02345	0.4
130.74625	0.5
138.96976	0.6
153.01822	26.8
154.02077	0.5
187.65872	0.5
195.02901	1.8
234.20479	0.6
241.00218	67.6
242.00403	1.2
254.09093	0.5
279.48563	0.4
315.07272	4.3
325.37323	0.5
380.82037	1.4
395.02917	100.0
396.03375	3.2
402.51913	0.5
486.40527	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51932	0.7
51.73359	0.7
52.16027	0.8
57.31369	0.7
58.61912	0.7
59.01242	3.6
64.05534	0.8
71.01245	2.8
72.93637	0.9
74.14822	0.8
79.93668	1.2
79.95592	76.8
80.08869	1.0
80.96371	3.4
85.02804	2.6
89.02309	1.8
93.03307	6.6
95.01222	1.4
95.95092	16.7
96.95869	100.0
97.02797	1.0
98.06361	0.8
101.02330	1.1
106.04096	4.2
107.04893	25.2
108.02043	4.6
109.02814	1.7
109.96674	1.5
111.00675	1.1
111.04369	1.6
121.02837	1.2
122.97432	0.9
123.00755	2.0
123.04392	1.7
125.02355	1.0
129.05374	1.2
135.04407	2.6
137.02400	1.4
138.03091	1.4
141.95650	7.5
149.02293	1.4
151.03906	4.4
152.01054	7.4
153.01805	3.1
155.03380	2.5
167.03355	8.2
171.02870	1.1
173.04475	4.0
177.01854	1.2
179.03490	1.6
191.05515	8.8
193.04834	1.2
199.02368	1.1
204.99829	1.3
213.09164	10.4
239.74046	1.1
247.02782	1.4
254.05908	1.2
257.08200	40.3
313.09354	1.8
442.05719	9.8
475.05563	2.7
475.12540	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	475.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12392	0.7
53.19352	0.9
55.01732	0.9
55.52517	0.8
55.86899	0.7
57.03311	2.0
59.01240	21.5
69.03307	5.2
71.01237	6.9
72.99165	22.6
73.02806	3.1
78.83178	0.9
83.01228	1.4
85.02808	5.3
89.02290	4.2
89.03828	1.0
93.03314	1.3
95.04896	1.2
96.95861	2.7
97.02798	11.1
97.05267	0.9
99.00777	1.0
99.04386	2.3
101.02296	5.6
102.93350	0.9
103.21613	0.9
105.03312	1.7
108.02012	1.7
109.02105	1.8
109.02815	17.5
113.02309	24.5
114.57613	1.0
119.03353	2.1
121.02813	2.1
123.00816	1.4
125.02314	53.1
129.01831	1.7
132.01984	0.9
133.02834	5.1
135.04395	1.5
137.02325	5.3
137.05966	1.2
139.03839	1.7
141.01801	8.8
143.03352	4.0
145.02803	2.3
147.04433	1.8
149.02342	2.6
149.05998	1.6
157.02760	1.0
159.04451	1.8
160.01532	3.5
161.02338	9.7
161.04449	3.6
163.03877	2.0
164.01077	1.3
165.05612	1.2
167.03288	1.2
173.02316	3.3
174.03078	1.6
174.06801	1.2
176.01015	5.7
177.01839	40.5
177.09169	3.0
179.03490	1.6
179.05406	1.6
183.84975	1.2
187.03908	2.4
188.04773	1.2
189.01855	3.9
190.02556	1.4
191.03429	1.7
191.10716	3.3
193.06613	1.7
193.08650	1.2
195.04411	1.9
195.10172	1.8
197.06029	1.2
200.01094	1.8
201.01854	47.8
201.05533	1.8
202.02362	1.9
202.06282	1.8
203.03439	2.4
207.02826	1.3
209.06049	3.2
211.03960	1.9
213.05499	1.9
217.01324	8.7
219.04446	1.4
220.05452	1.3
221.06113	4.2
223.03995	1.9
224.04575	1.9
225.05507	2.4
227.03358	1.2
229.01378	2.9
231.13831	3.4
235.04050	1.4
235.13394	1.4
236.05096	1.0
237.05499	5.3
238.06313	1.5
239.03493	2.4
239.07127	2.0
241.05089	2.6
241.12279	2.3
247.03934	1.2
247.09755	1.2
247.13167	1.2
248.04739	2.3
249.05571	5.1
249.84164	1.1
251.03479	2.3
253.04950	4.7
259.13449	8.1
263.03415	3.0
264.04315	3.3
265.04996	9.3
267.03131	2.6
267.06448	1.3
269.04578	5.1
276.04422	1.2
277.05032	4.0
277.14407	2.1
279.03006	2.7
280.03665	4.7
281.04520	2.8
281.14066	1.5
282.05405	3.1
285.11243	1.0
291.03119	1.8
292.03824	3.5
293.04544	17.2
294.05112	1.7
295.02576	2.2
295.06073	3.2
297.04099	8.3
298.04684	1.6
303.12326	2.9
308.03583	1.8
309.04025	11.6
310.04868	2.0
311.05640	4.4
313.07202	2.5
319.02539	2.5
321.04047	19.9
321.13376	5.0
322.04852	2.1
336.02591	1.6
337.03558	24.9
338.04385	6.2
339.05109	29.2
347.02081	2.1
350.04144	2.2
351.05038	2.5
365.03040	100.0
365.12637	3.4
366.03790	68.9
367.04233	1.9
383.13510	81.7
384.13660	3.4
395.13507	2.8
411.13150	7.1
414.21927	1.5
415.23383	11.8
431.11667	1.3
437.12454	2.2
439.12506	35.8
440.13138	2.2
444.22275	1.2
462.55338	1.3
475.06537	13.1
475.12646	1.4
476.06909	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	475.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17333	0.4
57.03310	0.8
62.37145	0.4
65.63105	0.4
67.01737	1.5
69.03312	4.8
81.03310	7.6
83.01231	2.3
90.84299	0.4
95.01242	3.4
95.04865	0.6
96.55989	0.5
96.95863	1.7
97.02813	5.4
105.30653	0.5
107.01260	3.7
108.02026	0.7
109.02817	3.9
111.04391	0.8
116.28329	0.5
121.02848	1.1
123.00742	3.5
124.01570	1.2
125.02315	100.0
126.02679	1.7
137.02325	5.2
139.03870	3.1
149.02380	0.7
150.42590	0.5
151.00270	14.8
151.03848	0.5
153.01807	5.0
164.01006	0.9
164.63689	0.6
165.01825	2.8
167.03415	3.8
168.95200	0.8
169.01335	47.2
170.01628	0.7
173.05975	0.7
177.01825	1.0
177.05479	1.2
179.03391	3.1
189.05602	0.6
199.03831	0.5
219.06596	2.0
221.04556	1.1
241.00294	0.6
261.07788	0.7
305.06705	21.4
306.07059	0.7
321.06174	1.7
354.29922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64086	1.3
50.64282	0.4
57.03311	0.9
57.86784	0.5
59.01245	0.8
59.03846	0.5
61.60741	0.5
65.44227	0.5
69.03310	6.5
70.15811	0.6
71.01273	0.8
72.99167	24.0
73.02808	1.5
85.02811	2.2
87.04400	0.9
96.95856	0.9
97.02805	11.5
99.04351	1.1
102.42279	0.8
107.91449	0.6
107.96436	0.6
109.15930	0.5
113.02306	22.9
124.98766	1.0
125.02312	62.9
126.02688	0.8
135.04376	0.8
137.02309	0.7
137.05898	0.6
141.01807	10.2
143.03410	1.7
147.04431	0.9
149.05956	0.6
149.09650	1.7
156.05751	0.7
163.03903	0.8
165.80843	0.6
167.68726	0.6
177.09166	4.1
179.10725	0.9
187.03938	0.9
188.04735	1.4
190.02596	1.2
191.03413	1.4
191.10706	2.5
193.10608	0.7
195.10182	1.6
202.06395	1.3
213.12862	1.3
215.14368	1.3
219.10240	0.8
220.07480	0.7
223.09833	0.7
229.12396	0.7
230.09413	1.4
231.13855	3.3
241.12433	2.7
247.09795	1.3
247.13560	0.9
248.10522	2.1
249.15001	0.8
259.13422	8.2
275.12787	1.1
277.14554	3.7
279.12479	1.1
281.14090	0.7
303.12277	3.9
306.90924	0.7
321.13434	5.6
339.14395	0.8
365.12494	4.9
383.13510	100.0
384.13855	4.2
387.78464	0.6
391.84457	0.7
395.13373	2.1
411.13007	10.0
439.12482	38.5
440.12787	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	475.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64081	1.1
50.64279	0.4
55.01749	0.7
57.03310	0.7
59.01241	3.6
59.89145	0.4
61.24460	0.4
67.01731	0.4
68.96461	0.4
69.03314	7.8
71.01226	1.5
72.97609	0.6
72.99164	28.0
73.02799	4.1
74.79294	0.4
75.00688	0.4
83.01213	0.6
83.04852	0.4
85.02790	2.1
87.04343	0.4
89.02267	0.8
91.73395	0.4
97.02805	13.5
97.06457	0.4
99.00712	0.4
99.04366	1.3
99.08037	0.6
101.02312	1.9
102.42291	0.6
106.04088	0.4
113.02308	28.8
117.65108	0.3
125.02310	66.9
126.02650	0.9
127.03860	0.5
129.01788	0.8
131.03409	0.4
134.03615	0.5
135.04366	0.7
137.05910	0.5
138.03114	0.7
141.01814	11.7
143.03375	3.0
147.04385	1.5
147.49622	0.4
149.05974	0.5
149.09619	1.1
156.05573	0.4
163.11195	0.4
164.04689	0.5
165.05533	0.5
165.09117	0.4
167.10675	0.8
174.06863	1.0
175.07530	0.4
177.05510	0.5
177.09102	4.5
179.10634	1.1
184.05139	0.8
187.03900	0.9
188.04689	1.1
191.03401	1.2
191.10680	3.7
193.08679	1.0
195.10182	2.9
201.05560	0.7
202.06348	2.2
203.10728	0.7
203.14319	0.8
207.10222	1.0
209.11795	0.8
209.93703	0.4
213.12840	1.3
215.14340	1.1
219.10144	0.9
220.03729	0.5
222.83524	0.4
223.09761	0.7
225.11227	0.7
229.84904	0.4
230.09499	1.8
231.13890	3.8
241.12349	3.7
247.09740	1.7
247.13382	0.6
248.10521	1.4
249.11089	0.4
249.14957	1.0
251.12842	0.5
257.11896	0.6
259.13379	9.0
275.12946	1.4
277.14401	2.9
279.12292	1.3
281.13928	1.3
285.11273	0.9
291.12234	0.9
292.09549	0.6
293.13507	0.4
297.09695	0.8
303.12350	4.0
304.12842	0.4
321.13416	6.2
339.14484	0.5
342.51840	0.5
365.12457	5.0
383.13498	100.0
384.13882	5.2
395.13571	1.5
411.07999	0.7
411.13040	8.2
412.13583	0.6
439.12479	36.7
440.12494	2.0
475.10049	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10178	0.3
55.30317	0.4
57.03314	4.9
58.00449	0.7
59.01240	48.9
59.02482	0.8
68.73016	0.4
69.03311	3.8
71.01237	31.7
71.02876	0.8
71.04877	1.6
72.99165	37.9
73.00878	0.5
73.02802	8.7
73.10062	0.5
75.00708	0.9
81.03291	0.8
81.31190	0.4
83.01243	1.7
83.04881	0.4
85.02804	11.6
87.00729	3.5
89.02294	53.7
89.04602	0.6
90.02631	0.5
93.03304	1.3
95.01234	0.6
95.04910	0.5
96.95868	1.3
97.02816	4.3
99.00735	2.0
99.04375	0.7
100.98667	1.2
101.02306	23.7
103.03870	0.8
107.04890	2.7
109.02831	0.7
111.04350	0.6
112.99378	1.1
113.02305	100.0
113.05618	1.2
113.94957	0.5
114.02634	1.0
115.00230	1.3
119.03356	3.8
121.02840	0.7
121.06480	0.7
123.07999	2.5
124.01540	0.7
125.02309	16.3
125.05978	0.5
127.74849	0.5
131.03371	20.6
131.04361	1.1
135.04375	1.0
137.02356	0.4
139.00270	0.5
141.01811	14.6
143.03333	1.4
147.04413	1.2
149.04440	49.0
149.09453	1.0
151.03946	0.6
157.06544	0.5
161.04460	2.7
161.05891	0.6
163.05968	1.6
163.07361	0.6
165.05519	1.0
165.09091	1.0
175.03979	1.5
177.09148	0.5
179.05569	0.6
179.10722	1.4
186.06761	0.5
191.05544	12.0
191.07106	0.4
195.10268	0.7
201.12747	1.0
203.10719	0.7
204.99847	7.1
207.10158	0.8
209.11697	0.5
211.11363	0.8
212.04626	0.5
217.12285	0.5
221.11693	0.5
223.09665	1.0
229.05074	0.6
229.12267	1.1
229.45543	0.6
231.13870	1.1
233.11671	0.7
245.11787	0.8
246.12154	0.7
246.78778	0.5
247.13382	0.7
248.10477	0.8
249.15016	0.8
251.07588	0.6
257.11847	0.6
259.13397	1.5
261.11115	0.7
263.12817	1.0
269.10510	0.8
275.12930	0.9
277.14450	1.8
283.11899	4.6
287.13004	0.7
291.12439	1.6
293.08875	0.5
293.14017	4.2
303.12396	1.6
305.13864	0.6
307.10327	1.9
309.13593	0.7
311.09906	0.8
313.03607	1.1
321.13327	1.5
349.13000	0.8
365.12424	6.2
383.13513	27.5
384.13852	0.6
393.11923	0.7
395.13431	0.9
411.12985	49.6
412.13437	1.4
415.16107	16.0
439.12476	98.2
440.12958	3.5
465.62720	0.9
475.09235	1.6
475.17966	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.2
59.01237	2.6
66.92381	0.2
71.01240	18.7
72.99160	3.3
75.00735	0.5
85.02810	0.5
87.00733	6.3
87.04373	1.8
87.26645	0.3
88.03889	0.9
89.02293	6.7
95.02346	0.3
113.03467	0.3
115.00234	34.9
116.00600	0.5
131.04486	0.7
132.02885	2.1
133.01305	89.8
133.04938	100.0
133.08904	0.9
134.01636	1.1
134.05287	1.5
142.90953	0.3
191.05521	3.0
208.43221	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	26.6
59.01517	1.9
61.98706	2.5
68.71129	1.0
69.03348	1.9
71.01266	4.1
72.99170	12.7
73.02811	2.5
82.33464	1.2
83.04886	1.7
85.02817	1.2
89.02314	2.5
95.04914	1.6
96.95879	1.6
97.02807	5.6
99.04391	3.3
101.02303	2.4
109.06474	3.3
113.02370	3.3
115.03901	3.0
125.02357	2.6
127.03954	2.5
133.39012	1.2
134.53578	1.2
149.05983	3.1
151.07600	5.3
151.11182	5.7
159.04419	1.5
160.50919	1.2
162.04977	1.3
173.04549	4.7
179.07059	1.6
179.10727	2.0
181.12321	5.3
203.14372	2.0
205.12325	1.9
207.10384	1.5
209.11870	3.3
215.14388	3.5
217.15927	33.4
219.13986	1.6
233.11732	1.5
233.15599	3.3
235.17081	1.5
243.14037	1.4
245.15445	38.1
246.15770	1.5
261.14972	2.0
263.16461	6.5
271.13403	1.5
289.14484	8.6
295.22913	1.5
307.15662	2.4
333.13458	25.3
334.13858	1.4
342.62155	1.4
351.14514	100.0
352.14960	2.3
372.44653	1.4
379.13956	3.6
383.17114	3.8
407.13455	3.2
411.16702	15.1
439.16144	62.0
443.10825	1.4
469.57886	1.6
475.13699	1.9
475.29407	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	475.1457
Annotation	Erythroxyloside A
Peak:m/z	Relative Intensity
57.03325	0.9
59.01244	5.5
65.00201	0.2
69.03324	0.3
71.01237	1.5
72.99167	1.5
73.02818	0.5
77.30662	0.2
77.80386	0.2
83.01273	0.2
85.02795	0.9
87.00762	0.4
87.86644	0.2
89.02297	1.7
93.03329	0.2
95.01257	0.6
96.95881	1.0
96.96803	0.3
97.02819	0.7
98.95459	0.7
98.96297	0.2
99.00754	0.7
99.04364	1.2
101.02298	1.3
105.03361	0.3
109.02839	0.2
111.00788	0.2
113.02311	1.8
115.91925	0.2
119.03382	0.3
123.04375	0.5
124.01519	0.7
125.02313	3.8
131.03435	0.3
135.04414	0.7
137.02368	0.4
138.02151	0.2
138.03102	5.0
139.03909	2.3
141.01826	0.5
141.05972	0.2
143.03333	0.4
149.04456	0.2
149.99371	0.2
151.00246	0.3
161.04422	0.7
163.03908	0.2
165.01842	1.2
165.05434	0.4
166.02617	37.0
167.03029	0.8
177.01784	0.2
179.05579	0.3
180.98024	0.9
181.04977	100.0
181.11041	1.0
182.05286	2.3
198.01695	0.2
209.11617	0.2
259.13318	0.5
270.20831	0.2
277.14359	0.2
287.14749	0.2
293.08698	0.3
295.09494	0.3
304.45541	0.2
306.36908	0.2
313.07196	0.4
321.13388	0.2
383.13391	3.3
384.13861	0.4
411.12711	0.4
415.15710	0.2
415.23248	0.6
439.12640	1.7
475.17487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80441	0.3
57.03304	0.3
58.97705	0.3
59.01236	2.7
60.41462	0.3
63.32069	0.3
71.01238	16.9
72.99162	2.9
73.02793	0.6
73.33010	0.3
73.39266	0.3
75.00714	0.8
77.00979	0.4
85.02807	0.6
87.00731	6.0
87.04361	1.9
88.03893	1.0
89.02291	6.1
114.97107	0.7
115.00233	31.0
115.03769	0.5
129.72559	0.4
131.04456	1.1
132.02934	3.7
132.04895	0.4
132.97440	1.0
133.01300	76.1
133.04936	100.0
133.09343	1.1
134.01622	0.4
134.05257	0.6
153.41989	0.4
175.02420	1.3
191.05504	2.0
223.02461	0.8
262.69772	0.4
341.10904	0.9
415.14597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15424	0.5
51.68930	0.5
56.15285	0.5
56.15517	0.6
56.68357	0.8
59.01224	2.7
69.03303	1.0
71.01237	1.0
72.99150	3.9
74.45862	0.6
80.39075	0.5
83.06749	0.6
93.03312	4.6
96.95869	1.5
97.02833	1.6
97.29672	0.6
98.19198	0.7
101.02271	0.6
107.06966	0.6
107.39600	0.6
108.02031	10.9
109.02832	0.8
113.02279	3.3
117.03326	1.0
119.04897	0.7
121.02826	25.1
123.04386	5.6
125.02319	9.2
130.04097	0.7
131.04951	1.0
134.03613	3.3
135.04396	100.0
135.08679	1.5
136.04735	2.3
141.01752	1.5
143.55199	0.6
145.02837	5.1
145.06456	1.3
146.03616	9.1
147.04401	1.3
147.08055	1.8
150.03125	0.7
151.03909	1.0
156.05713	1.4
157.06520	2.4
159.04401	1.6
160.05194	3.4
173.05975	0.9
175.03810	0.7
175.07591	3.7
177.05414	0.7
179.03410	0.8
179.06998	0.8
193.04951	0.7
209.06041	0.8
223.07591	1.3
225.05493	1.0
226.06345	2.0
236.04674	0.6
237.05486	4.6
238.06398	2.2
239.07057	1.4
247.07515	0.7
251.07149	1.4
252.07877	1.0
253.05089	2.1
253.08806	0.7
254.05858	17.5
255.06407	2.1
259.13400	1.0
265.05069	2.3
265.08792	1.6
266.05844	19.9
266.08969	1.1
267.06537	2.2
269.08145	9.5
275.07080	0.7
276.07941	1.4
277.08768	2.4
278.09421	0.9
281.08203	20.8
281.11362	1.2
282.05405	1.8
282.08359	0.9
289.08621	0.8
291.10367	0.8
293.08246	2.3
294.09161	0.9
297.07416	0.9
305.08386	1.0
306.09097	2.9
307.05972	0.8
307.09518	0.9
309.07813	1.4
309.11307	2.1
311.05487	1.7
321.11371	3.0
325.07275	3.1
326.07904	2.5
326.11395	0.9
340.09521	1.7
341.10486	3.5
351.08752	3.3
352.09494	5.2
353.11417	0.7
369.13486	1.7
370.12042	1.8
381.11407	2.0
382.12082	7.1
383.13522	13.0
384.13910	1.1
385.14597	1.8
391.01309	0.8
393.11343	1.6
394.12094	2.8
397.14523	6.7
400.13019	1.1
401.11014	0.9
409.14767	1.8
411.12878	1.4
412.13065	1.0
415.15610	17.1
415.21313	1.0
427.15533	13.6
430.14246	1.8
439.12350	5.3
442.14117	2.1
445.16663	19.2
457.16647	41.8
458.17068	2.0
475.09277	1.2
475.14929	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51058	0.5
54.57043	0.6
55.99421	0.6
56.09822	0.5
57.03306	2.3
58.00460	2.8
58.82185	0.5
59.01243	20.9
68.22232	0.6
69.66656	0.6
71.01239	12.0
72.99156	0.7
73.02828	1.2
75.00747	1.2
78.54996	0.6
80.02557	0.7
81.03311	4.6
83.04889	1.7
85.02807	14.0
85.93795	0.6
87.00738	0.8
87.04372	6.6
88.30493	0.7
89.02299	11.7
89.02842	0.9
93.03321	1.0
95.01228	0.8
95.04879	21.5
95.05463	1.3
96.00751	0.8
96.95873	1.8
97.02802	6.8
97.06442	6.1
99.04384	2.7
101.02310	4.6
107.04903	2.1
109.02821	0.8
109.06491	1.2
110.02322	0.8
111.04352	1.9
111.08074	0.8
113.02306	5.6
113.05946	15.4
119.03358	4.9
121.02789	0.8
121.06414	0.7
123.04407	4.7
125.02299	1.7
133.06503	2.3
135.04404	11.7
135.08022	0.7
137.02298	1.4
137.05940	10.3
138.06744	1.7
141.05470	2.0
144.27788	0.7
149.04465	0.9
151.03909	0.9
151.07547	4.7
153.05507	2.0
153.09114	1.4
155.06947	0.7
161.04367	0.7
163.03896	2.5
163.07542	13.8
163.08789	0.6
177.01855	2.0
177.05444	0.9
179.05537	2.0
184.00249	0.7
189.09106	3.2
189.12769	2.3
193.08704	0.8
193.12335	0.8
205.12244	0.9
215.10738	3.4
233.11806	9.7
248.10268	1.0
251.12898	3.9
259.09763	0.9
277.10803	2.6
282.43707	0.7
283.14050	1.5
295.11871	100.0
440.16248	0.8
461.39642	0.8
475.17953	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	475.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79906	0.6
57.03304	1.5
59.01244	21.5
65.02702	0.5
65.03808	2.9
66.71386	0.5
67.01743	0.9
69.03288	0.9
71.00864	1.2
71.01238	11.0
72.99176	1.0
73.02804	1.6
81.03304	3.0
83.04861	1.5
84.02015	1.2
85.02804	6.0
87.52012	0.7
89.02298	13.9
91.72746	0.9
93.03331	2.3
95.01250	0.7
95.04890	1.9
96.95869	15.7
97.06451	8.4
99.04396	1.0
101.02293	5.6
107.04878	3.7
109.02781	0.9
109.06438	0.7
111.04385	2.2
113.02303	4.7
119.03368	3.9
119.04893	1.2
121.02817	1.1
121.06456	3.6
123.04386	8.3
123.08028	5.4
125.02286	0.8
125.05954	1.0
128.03397	2.3
128.93027	0.7
131.04930	1.1
133.04913	1.2
133.06479	9.2
135.04361	2.0
137.06033	0.9
139.07512	2.5
143.04530	1.5
147.04404	4.6
147.08011	4.6
149.05995	1.3
149.09608	1.7
151.07584	4.4
159.04318	1.2
160.05113	1.1
161.04440	1.1
173.09598	2.3
175.11220	1.3
177.05437	1.1
179.05495	2.1
185.09558	1.2
187.11078	1.0
197.09666	1.1
203.10701	6.9
205.08757	1.1
205.12387	1.2
213.09084	1.4
215.10722	10.8
231.10236	20.9
233.09399	0.9
233.11797	18.8
233.59915	0.7
238.19757	0.7
253.10851	1.2
259.09796	1.5
277.10962	1.9
295.11874	100.0
296.12164	2.0
306.07675	1.1
348.19449	0.8
351.04584	0.7
475.17728	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	475.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96736	0.6
55.01768	0.5
57.03319	3.5
58.00463	1.7
59.00005	1.3
59.01242	100.0
59.02356	1.7
61.98699	1.6
65.33463	0.7
69.03307	1.7
71.01238	37.8
71.02718	0.7
71.04887	2.6
72.99163	15.5
73.02806	12.8
81.03316	2.2
83.01232	3.6
83.04878	1.4
85.02805	10.9
87.00724	7.1
88.86307	0.7
89.00023	0.9
89.02297	64.6
95.01266	1.0
95.04852	0.8
95.06011	0.6
96.95890	1.1
97.02839	1.8
97.06477	2.8
99.00740	2.0
99.04419	1.3
101.02303	34.7
101.04726	0.6
109.02781	0.7
109.06493	1.0
111.08023	0.9
113.02309	42.2
115.00221	5.1
115.03877	13.7
119.03374	8.9
119.04901	1.0
123.04413	1.3
123.08045	0.9
125.02316	6.0
131.03378	22.8
135.04449	0.6
141.01839	3.9
143.03418	2.2
149.04445	57.7
151.07553	1.6
155.10701	1.7
161.04482	4.1
165.09157	1.0
167.03412	2.9
170.38214	0.7
175.02397	9.8
179.05533	1.6
183.10159	5.6
191.05540	13.3
201.11258	40.5
209.15390	3.7
235.13402	1.8
237.14955	1.2
251.07814	1.6
251.16670	0.8
253.14470	9.0
259.13806	0.9
267.35440	0.8
269.08246	1.8
271.15561	5.7
273.03595	0.6
281.09192	0.8
293.14056	1.1
295.15582	2.3
311.09891	1.2
344.64056	0.7
365.12399	3.6
383.13504	9.1
411.12976	14.9
411.17996	1.2
415.15866	9.1
415.20590	18.8
433.20886	3.1
439.12473	32.7
440.12885	2.5
475.21875	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	475.1976
Annotation	Norcaesalpinin D
Peak:m/z	Relative Intensity
50.51043	1.1
54.49278	1.1
57.03302	1.5
59.01243	19.2
61.03511	1.4
61.98410	2.5
61.98698	31.4
69.03311	2.5
70.10751	1.2
71.01246	8.1
71.84359	1.4
72.12760	1.4
72.99184	9.4
73.02808	2.8
75.00733	2.1
79.16418	1.4
82.12843	1.5
85.02802	6.0
87.00739	1.6
89.02309	7.4
93.03300	4.4
96.84818	1.5
96.95874	10.5
97.02813	4.5
97.19552	1.2
99.08025	1.5
101.02306	5.4
108.02029	3.1
109.02817	24.3
111.04382	1.6
113.02312	12.9
119.03385	3.4
121.02822	2.9
123.00716	2.0
123.04433	2.8
124.01528	17.9
125.02326	31.6
133.06381	1.7
135.04359	4.1
137.02271	3.4
138.03102	4.2
139.00258	2.1
139.03922	15.6
140.38992	1.7
141.01797	4.1
143.03319	2.4
146.74760	1.6
149.05980	12.5
149.10930	1.5
150.03117	10.8
151.03860	2.0
152.00970	1.5
153.01826	4.9
161.02354	5.8
161.04419	3.3
162.03163	2.3
163.03871	1.7
163.11118	1.8
165.05492	6.3
167.03392	3.0
172.05214	1.8
175.03923	4.8
177.01834	1.9
177.05428	2.1
177.09113	1.7
178.64578	1.8
179.03418	6.2
180.04170	5.9
185.06044	2.6
195.06538	6.0
199.21245	1.4
201.02118	1.4
201.05562	3.3
202.06371	1.5
203.03424	2.6
203.10799	1.6
213.05505	2.4
214.06255	2.0
214.26897	1.5
215.07207	1.6
217.12314	2.8
219.08095	1.6
219.10280	2.0
225.05681	1.6
228.04323	2.1
231.10043	2.1
233.11798	35.7
241.05064	2.8
241.12413	1.8
242.05763	2.2
243.06641	5.0
245.11821	4.9
249.05803	1.7
250.06429	2.3
251.07150	2.9
253.04936	2.4
253.18102	2.4
257.11783	6.3
259.09796	2.1
259.13419	2.9
260.10547	3.1
265.04950	2.1
267.06525	2.6
269.08331	1.9
271.09720	4.2
272.90356	1.7
273.11313	1.9
275.09177	1.8
277.04712	1.8
279.06668	3.5
280.07593	1.8
285.11243	2.7
286.12042	2.0
294.08755	1.9
297.07547	2.2
297.10977	1.9
298.12076	3.5
299.13086	2.8
309.07758	1.8
311.09317	2.8
313.11072	2.3
313.14413	3.1
341.13837	2.9
352.12927	2.4
353.13742	3.5
367.15494	3.3
369.13116	3.2
369.17297	3.2
370.14221	2.9
379.15457	5.8
381.13562	2.8
382.14212	2.3
383.13507	28.7
384.13855	1.8
385.16580	14.3
397.16431	7.9
400.15213	4.1
415.17633	100.0
415.22906	10.3
416.17960	5.5
427.17456	12.5
439.12476	10.8
457.18616	2.4
475.09866	4.2
475.19626	47.5
476.20206	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	475.2128
Annotation	Fuscaxanthone A
Peak:m/z	Relative Intensity
52.59928	0.5
55.32039	0.5
57.46285	0.4
59.01213	0.9
68.32767	0.5
72.99185	0.6
80.81068	0.5
108.01939	0.5
111.77126	0.5
124.57280	0.6
125.02206	0.6
136.30568	0.6
171.04462	0.6
185.05948	1.4
198.06805	1.6
213.05440	2.1
215.07048	2.2
215.10660	1.3
229.12302	0.7
235.07370	0.7
239.07069	1.2
241.12196	2.4
257.11899	0.7
259.13492	0.7
260.60489	0.7
261.09183	1.3
263.07010	1.4
264.07819	0.8
276.04205	0.8
277.08704	1.3
288.07913	0.9
289.08939	0.7
290.05673	1.6
291.06671	3.1
291.09729	0.7
292.07455	0.9
297.11368	0.6
301.08777	1.0
303.06992	0.6
303.10059	1.2
305.08209	1.0
310.08557	1.3
317.15125	0.9
319.09717	0.7
329.11847	0.7
331.13315	2.1
333.07544	1.1
345.14886	3.0
346.15631	0.8
347.12729	2.0
347.16592	1.2
358.11893	1.1
359.12549	0.7
361.10675	1.1
373.14264	2.4
373.18393	1.2
375.12161	2.5
376.13306	4.3
383.13593	1.3
388.16809	1.3
389.13705	2.0
401.17599	3.5
408.11978	0.8
415.19397	1.2
417.13455	1.4
419.18414	1.5
431.21902	1.4
432.15842	1.1
445.23474	1.8
447.21643	1.5
457.23999	0.9
460.18942	2.0
475.21082	100.0
476.21591	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	475.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06965	0.7
57.03308	0.9
58.00450	1.6
58.42192	0.7
59.01241	100.0
59.02439	1.8
60.01584	0.9
69.03334	1.2
71.01237	27.0
71.04869	0.9
73.02802	79.6
73.04445	1.1
81.03333	2.5
83.01236	18.0
83.04882	2.7
85.02814	3.6
87.00748	1.5
89.02295	10.2
91.73389	1.5
96.95855	0.7
97.02811	1.9
97.06428	0.8
99.00742	1.2
99.04378	4.8
101.02299	64.8
101.04973	0.9
113.02309	9.8
115.03875	11.7
119.03365	5.0
124.36440	0.7
125.02335	3.3
131.03339	5.0
135.11685	1.2
143.03375	5.3
149.04439	4.8
155.03387	1.8
161.04442	14.1
167.10716	1.8
173.13297	1.7
191.14340	13.5
203.23416	0.8
209.15384	0.7
221.06747	1.2
235.13443	1.2
253.14476	8.6
271.15634	1.4
415.23535	1.0
433.20724	1.8
445.93466	0.9
475.21860	35.2
476.22101	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09765	0.5
55.01747	0.6
57.03314	2.4
59.00140	1.6
59.01242	100.0
59.02496	1.7
60.01574	0.9
68.76038	0.5
69.03320	2.4
71.01241	27.9
71.02922	0.5
71.04880	11.1
71.05231	1.0
72.99173	1.1
73.02805	30.5
81.03311	2.9
83.01240	9.1
83.04876	3.7
85.02796	8.6
85.06440	0.5
87.00755	1.7
89.02293	17.6
95.01278	2.2
95.04872	1.0
95.85281	0.6
97.02822	3.8
97.06447	9.5
99.00740	1.8
99.04368	3.4
101.02304	29.9
109.06458	1.6
111.08025	1.1
113.02311	17.8
115.00248	0.6
115.03876	41.5
116.81717	0.6
119.03363	6.3
125.02356	2.4
126.03143	2.3
131.03424	2.5
140.04558	0.6
143.03389	3.6
147.11655	3.4
149.04503	1.7
152.04422	1.1
155.10680	3.8
161.04471	7.5
165.12845	2.0
175.02386	0.9
179.05544	3.0
191.14418	1.4
197.38527	0.7
201.11287	3.7
203.05672	0.8
207.13908	1.4
207.34067	0.6
208.59195	0.6
209.15411	13.8
215.68248	0.6
220.62840	0.7
233.15408	1.2
235.13350	3.8
237.14970	1.4
253.14439	24.0
253.16963	1.3
254.14726	1.0
271.15533	14.7
271.18320	0.8
272.15927	1.0
295.15460	3.9
313.16766	2.6
359.51923	0.7
415.19763	44.4
416.20306	2.0
433.20776	11.9
433.26254	0.8
475.21823	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	475.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79697	0.4
55.01748	0.4
55.64125	0.3
56.49760	0.3
57.03314	5.8
58.00468	1.0
58.93877	0.4
59.00180	1.3
59.01242	100.0
59.02472	1.7
61.98702	2.1
61.98999	0.4
66.66325	0.3
68.99670	0.4
69.03330	2.0
69.69288	0.4
71.01238	24.9
71.04872	2.7
72.99162	1.1
73.02807	9.6
73.03207	0.8
81.03313	11.0
83.01244	5.3
84.02023	1.4
84.08340	0.4
85.02802	10.0
85.99949	0.7
87.00751	2.0
87.09879	0.4
89.02296	6.3
95.01246	2.3
96.95903	1.0
97.02811	4.9
97.06460	0.7
99.00733	2.0
99.04375	19.5
101.02299	23.0
103.62662	0.4
111.00765	0.8
112.01574	0.6
113.02304	11.4
115.03873	31.8
119.03371	2.7
119.04851	0.5
124.01558	0.5
125.02325	4.6
127.99645	0.4
128.81558	0.5
131.03398	1.2
143.03375	4.2
147.96919	0.4
149.04457	0.9
152.04338	1.6
155.03471	0.4
160.04440	0.4
161.04428	3.3
179.05559	1.5
181.04936	0.5
209.15498	1.4
235.13391	3.3
253.14473	4.5
271.15427	2.0
299.14737	0.6
301.16476	0.7
329.16043	0.6
331.17725	0.7
371.20563	0.5
379.17581	2.6
389.21649	0.6
397.18683	20.6
398.19122	0.9
415.19745	86.7
416.20071	3.1
433.20795	48.9
434.21301	1.7
457.20776	2.0
475.21875	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	475.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20337	1.4
59.01256	8.2
59.27189	1.4
60.06851	1.7
71.01240	14.1
73.02808	2.6
75.00748	5.9
79.95617	2.8
80.68982	1.9
84.46221	1.6
89.02342	4.1
91.72758	4.3
96.95919	2.5
101.02309	15.5
113.02363	5.0
119.05040	1.6
145.02817	2.4
152.99500	3.2
161.04486	3.4
167.78575	1.8
253.21823	7.3
256.65442	2.2
267.23480	4.0
272.65530	2.2
277.21741	100.0
278.22406	2.1
291.23361	2.7
295.22540	2.1
319.22845	25.3
331.22855	5.1
349.23892	8.5
389.13077	3.5
463.59320	2.2
475.23724	11.6
475.36234	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	475.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81457	19.1
60.88648	19.0
63.04964	18.8
68.08958	19.5
72.39752	18.9
72.61366	18.5
83.81110	19.9
90.42635	20.4
93.26295	21.4
97.01962	21.1
100.13963	24.4
104.13760	20.5
111.46224	24.3
117.03335	36.3
129.38518	25.1
138.84416	21.2
145.02890	46.0
157.13971	25.1
240.57216	24.9
277.21783	100.0
285.32797	27.2
291.23560	39.8
415.25272	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38647	1.4
59.01241	7.2
71.01244	19.3
78.21676	1.4
81.80718	1.6
89.02303	7.6
101.02311	3.4
113.02306	3.8
119.04857	1.9
121.46811	1.6
127.74963	1.7
145.02814	3.8
179.69241	2.5
186.43564	1.8
277.21750	100.0
278.22159	4.0
278.69171	2.3
291.23322	2.7
301.34570	1.8
319.22739	9.4
340.16357	1.9
357.14352	2.1
415.24875	3.4
466.10880	2.2
475.24527	3.2
503.02643	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	475.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76976	0.3
57.13755	0.5
59.01236	0.5
61.12395	1.2
65.69318	0.4
72.99204	0.4
89.05481	0.3
91.73317	0.7
96.47542	0.4
97.02859	0.4
111.04394	0.4
122.03593	0.9
125.02331	0.8
125.60209	0.4
133.06340	0.5
137.05980	0.7
144.05611	0.7
148.63777	0.4
159.04396	4.0
160.05185	2.6
174.03304	0.4
175.11258	0.8
176.04675	0.6
181.09639	0.5
187.03969	1.1
188.04727	3.0
188.08400	0.4
192.89146	0.4
203.10721	13.8
204.11053	0.4
213.38591	0.4
216.04155	0.8
231.10229	52.6
232.10599	1.8
259.09756	100.0
260.10165	3.9
292.49344	0.7
298.77692	0.3
383.13474	0.5
419.18445	0.5
431.25589	0.6
475.25711	8.6
475.68268	0.5
476.25311	0.9
484.88248	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2491
Annotation	Harunmadagascarin D
Peak:m/z	Relative Intensity
50.74133	0.8
53.63102	0.9
64.77854	0.9
76.36233	1.0
85.02773	1.5
97.06448	3.2
101.05941	6.2
101.97082	1.1
107.04877	2.0
113.08493	1.0
118.77170	1.1
123.08005	3.9
125.02328	1.8
131.04930	2.2
147.04352	1.2
149.09578	1.1
153.00682	1.1
157.06482	4.4
159.04405	2.8
171.04433	3.9
171.08093	2.6
185.05983	11.7
186.06812	4.9
203.10861	1.9
217.12238	2.3
229.12306	39.6
245.11839	20.1
249.09235	6.5
255.13901	9.8
267.10526	1.3
279.14157	1.6
283.13510	1.5
289.12213	1.2
305.15494	1.6
347.16461	1.7
363.19791	2.3
373.17978	10.0
375.16299	1.5
383.13593	2.0
389.21350	1.6
391.19238	3.2
439.12704	1.6
447.25427	16.2
457.23871	17.2
475.24915	100.0
476.25110	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	475.2491
Annotation	Bazouanthrone
Peak:m/z	Relative Intensity
51.30875	0.4
51.49644	0.4
58.53584	0.6
68.76838	0.6
73.81516	0.6
77.30273	0.6
77.66122	0.5
83.03006	1.3
83.03439	0.8
93.03311	6.9
97.06448	0.6
98.11871	0.6
113.02325	0.6
117.13105	0.6
122.03606	1.4
123.04381	10.1
123.08022	3.1
125.02307	1.0
133.06531	1.3
136.05156	2.3
149.09618	0.7
150.03146	0.9
159.04369	1.5
160.05234	1.0
161.05966	1.9
162.06784	0.7
163.07539	3.7
173.05981	10.2
174.06732	3.8
175.07635	1.1
175.11205	2.2
175.51190	0.7
185.06009	1.1
187.07596	1.0
188.04689	0.7
192.09430	0.7
195.67061	0.6
197.06027	1.3
198.06776	1.3
201.05481	1.6
202.06300	4.5
202.07875	0.6
202.09940	2.7
214.06218	1.0
215.07082	22.3
215.10526	1.2
216.07669	0.9
217.12288	24.4
221.15475	0.7
229.12187	0.9
233.11624	0.7
241.08525	0.7
241.12306	2.8
244.10983	0.8
245.11815	100.0
246.12183	3.0
257.11850	5.6
258.12585	16.3
259.13443	3.0
273.07599	1.1
357.15231	0.7
373.18344	1.1
375.15939	3.3
383.13345	2.0
389.17603	3.7
391.19199	3.3
399.57092	0.8
439.12189	1.0
457.23810	1.5
474.28525	1.0
475.24835	76.9
475.53619	0.9
476.25107	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2492
Annotation	Harunmadagascarin D
Peak:m/z	Relative Intensity
57.03330	0.7
79.81063	0.9
83.04893	0.8
85.02787	1.3
89.67088	0.8
90.20581	0.7
93.03310	1.5
97.06455	3.2
99.08046	1.0
101.05942	7.5
107.04899	1.9
119.04936	0.9
121.02796	1.1
123.08052	3.5
125.02337	0.7
131.04890	2.9
147.04425	1.1
154.97853	0.8
157.06496	6.5
159.04407	2.4
171.04422	4.0
171.08083	2.5
173.05956	1.7
185.06017	11.2
186.06834	4.5
199.07607	0.8
203.10744	1.0
210.21008	0.8
213.09055	0.8
217.12253	2.1
223.07591	2.2
229.12318	35.5
230.12666	1.2
234.07098	0.7
243.10159	0.9
245.11803	19.8
249.09219	8.3
255.13966	8.7
259.13531	1.1
265.12442	1.2
279.13870	1.6
280.23776	0.9
283.13525	1.4
287.10831	1.2
289.12436	1.5
305.15460	1.8
331.17017	0.9
333.15076	1.5
347.16602	1.8
357.14685	1.0
361.17654	1.3
363.19571	2.1
373.18118	8.4
375.16025	0.9
383.13602	1.3
389.21091	1.2
391.19131	3.0
415.22552	1.3
429.23932	0.8
430.19476	0.8
447.25479	5.5
457.23907	14.4
461.55969	0.8
475.24872	100.0
476.25278	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	476.2784
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.93502	0.3
58.44011	0.3
59.01236	0.7
61.38409	0.2
62.96267	0.3
63.84368	0.2
65.84290	0.2
78.93742	0.3
78.95761	21.7
79.25595	0.3
82.33328	0.2
89.56350	0.4
89.56796	0.3
96.43122	0.2
96.96803	0.4
113.02370	0.3
121.99982	0.5
140.01056	5.6
143.37289	0.2
152.99457	2.4
154.17387	0.3
157.54083	0.3
164.42885	0.3
165.25435	0.2
166.02704	0.3
171.00575	0.6
180.69067	0.2
196.03735	10.0
214.04834	2.5
231.03099	0.3
261.22354	0.5
266.42126	0.3
279.23300	100.0
279.35205	0.9
280.23688	3.2
352.62253	0.3
360.11469	0.4
476.27847	29.3
477.28452	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	476.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04414	0.2
55.93499	0.3
59.01229	0.4
66.63746	0.2
72.16943	0.2
73.92710	0.2
78.95760	25.8
89.56342	0.3
89.56798	0.2
96.96818	2.0
111.20624	0.2
113.94209	0.2
140.01074	1.9
152.99480	4.3
170.32742	0.2
171.00551	4.6
191.91876	0.2
196.03769	1.1
214.04842	2.6
254.89078	0.3
261.22186	0.3
279.11349	0.9
279.23297	100.0
280.23636	5.0
356.67886	0.3
360.11368	0.3
377.56097	0.3
402.24118	0.3
476.27863	24.1
477.28235	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	476.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48834	1.0
52.52492	0.9
53.52952	1.1
54.55384	1.0
55.90908	1.1
57.27991	1.1
59.01240	6.0
68.54780	1.1
69.45413	1.1
78.23714	1.1
78.95769	19.6
84.07323	1.2
90.19982	1.2
111.29283	1.3
140.01083	5.3
152.99493	3.3
178.52222	1.3
179.10864	1.7
195.06602	2.5
196.03735	10.0
214.04849	3.5
253.14325	2.4
261.22171	1.5
278.53033	1.5
279.23288	100.0
280.23712	2.6
309.11246	1.5
309.14798	1.6
324.26495	1.5
353.47821	1.4
476.27866	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3019
Annotation	Pf 1163a
Peak:m/z	Relative Intensity
51.11097	0.2
52.31425	0.3
59.01228	0.5
59.48748	0.2
60.22441	0.7
60.66507	0.2
61.36466	0.2
63.66230	0.2
73.96812	0.2
77.82769	0.2
84.21032	0.2
85.71185	0.2
85.87998	0.2
93.03299	0.3
109.49874	0.2
117.00030	0.3
117.03325	25.4
118.04125	6.7
119.04891	28.7
120.05210	0.4
121.02821	6.6
123.04396	1.9
133.02805	1.6
134.03601	0.7
144.98286	0.8
145.02834	56.5
146.03142	0.8
162.03116	3.1
162.98627	0.3
163.03905	14.3
203.06142	0.2
275.39749	0.3
337.61353	0.4
460.15970	0.4
476.30188	100.0
477.30457	3.6
495.57193	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05938	0.2
54.30242	0.3
59.01243	0.3
63.02238	0.4
64.35535	0.3
83.01247	0.5
83.29686	0.2
87.74873	0.3
87.93616	0.3
88.12354	0.3
88.12794	0.3
93.75580	0.3
95.71799	0.4
98.36470	0.3
98.52839	0.3
106.06158	0.3
107.01253	0.9
119.01270	0.4
124.01511	0.5
125.02324	0.8
135.00807	0.5
143.04947	0.5
147.04475	0.3
151.00253	6.0
152.01044	0.6
153.01848	0.4
155.04956	0.5
159.04373	0.6
163.00247	2.1
164.01006	0.3
169.01373	0.5
171.04413	1.5
175.03929	0.6
178.99747	3.0
187.03938	1.4
188.04846	0.4
189.01831	0.6
191.03688	0.3
199.03943	4.6
201.01801	1.9
203.03427	4.2
204.04224	0.5
205.05017	0.4
214.02666	1.2
215.03455	4.9
216.03990	0.4
217.01353	0.4
225.01984	0.4
226.02551	0.5
227.03474	3.5
229.01428	0.6
231.02982	2.6
241.01292	0.6
242.02184	8.1
242.04634	0.4
243.02969	35.6
244.03476	1.1
255.02927	0.7
257.04541	8.1
258.01965	0.3
259.02505	7.3
260.03262	0.8
269.01059	0.4
270.01724	10.4
271.02499	40.9
272.02853	0.9
285.04053	18.2
286.04782	5.0
287.01981	14.8
288.02530	0.7
298.01120	0.6
299.01950	6.3
300.02786	4.2
301.03265	0.5
313.03506	0.8
314.04349	34.0
315.01468	28.2
315.05051	6.3
316.02222	9.6
317.02719	0.6
330.03821	32.8
331.04602	31.0
332.04941	0.8
354.98337	0.3
357.06058	0.7
462.07748	0.3
477.10410	100.0
478.10571	2.4
480.53656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1041
Annotation	Syringetin 3-xyloside
Peak:m/z	Relative Intensity
55.66130	0.3
56.99657	0.3
58.00581	0.3
59.01228	2.3
61.98688	0.5
62.96690	0.3
65.14236	0.4
67.33199	0.4
68.33023	0.4
69.03307	0.5
71.01222	0.7
71.33769	0.4
72.99160	2.6
73.02795	0.4
76.84889	1.2
80.84256	0.4
83.01216	0.4
84.30186	0.4
85.02799	0.5
88.49512	0.4
89.02309	0.4
90.86311	0.4
93.32349	0.6
97.02806	1.1
98.56126	0.4
101.02318	0.6
109.02813	1.5
113.02318	2.1
121.02798	0.8
123.89075	0.4
125.02300	4.5
130.33852	0.4
133.02852	0.5
135.04411	0.7
137.02344	0.7
141.01797	1.0
146.03531	0.6
148.01543	0.6
149.02325	0.5
149.06030	0.4
150.11171	0.4
151.00244	1.3
152.01013	0.4
153.01797	0.6
159.04436	0.7
161.02322	3.6
161.04448	0.4
161.05983	1.3
165.01807	0.9
167.03447	0.6
175.03877	0.4
177.01808	0.5
177.09067	0.6
178.04997	0.3
180.04193	0.7
185.02347	0.8
187.04008	1.0
188.04639	0.5
191.03511	0.4
199.03946	0.8
203.03432	1.6
215.03416	0.7
216.04282	0.4
224.04909	0.5
227.03455	3.6
230.02109	0.4
239.07118	0.9
242.02219	1.2
243.02910	1.7
256.03647	0.5
258.01730	0.9
259.13409	1.1
265.05014	1.3
271.02478	4.4
271.05438	0.6
272.03265	12.9
273.03955	1.2
277.14328	0.4
285.04092	0.6
286.01273	0.9
297.07666	1.0
299.01974	10.0
300.02756	100.0
301.03311	4.1
314.04395	3.1
315.05121	88.4
316.05484	2.6
329.03064	0.7
341.06619	0.6
344.05276	1.5
365.12149	0.5
383.13583	7.3
384.13788	1.0
385.14041	1.0
405.16553	0.4
411.12802	0.6
433.09576	1.0
439.12338	2.9
440.12839	0.5
441.13025	0.5
449.31351	0.5
477.10397	43.8
478.10892	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	477.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03106	0.2
57.03325	2.1
58.90531	0.4
59.01241	4.7
60.01574	0.5
61.15079	0.3
66.31455	0.2
68.99685	0.4
69.03314	0.6
71.01250	1.4
71.04877	1.1
73.02809	1.6
74.03162	0.3
80.02505	0.4
81.03313	12.8
83.01223	2.7
83.04850	0.3
85.02813	0.4
89.02321	0.5
93.03332	0.6
95.01242	0.7
95.04882	6.2
97.02805	3.7
99.00745	0.3
99.04379	12.3
99.07108	0.3
101.02293	1.5
102.02634	0.3
105.03318	0.4
107.04890	0.4
109.02818	0.7
111.04401	1.4
111.08129	0.3
113.02307	0.8
119.04866	0.5
121.02847	0.4
123.04385	6.8
124.01552	0.2
125.02313	33.0
126.02670	0.4
135.04387	0.8
137.02321	4.7
139.03888	4.6
140.79665	0.2
149.02383	0.6
151.00264	0.8
151.03911	1.1
153.05394	0.3
155.03452	0.2
161.04482	0.3
163.03833	0.2
164.01024	0.6
165.01808	0.4
165.05475	0.6
166.98119	1.1
167.03401	100.0
167.09520	0.9
168.03743	1.6
175.00278	0.3
175.02487	0.4
179.03384	2.8
189.05481	0.3
191.03468	0.3
197.04488	21.3
198.04819	0.3
209.04491	0.8
227.05673	0.3
242.02364	0.3
269.06705	1.5
287.07727	9.1
357.09821	22.3
358.10095	0.8
369.09714	0.3
377.37946	0.3
387.10855	4.5
388.11279	0.3
451.33331	0.3
459.12997	0.4
477.07376	0.4
477.14029	4.6
477.22934	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41890	0.3
57.03313	0.4
59.01239	6.9
64.09912	0.4
64.48526	0.4
68.23244	0.4
68.54013	0.4
70.39131	0.4
71.01226	2.3
72.35387	0.4
72.74480	1.1
72.74848	0.8
73.02811	0.9
74.98974	0.7
75.00757	0.4
85.02798	0.6
89.02299	1.9
93.03336	0.7
96.95888	1.8
101.02308	2.8
108.02065	2.1
109.02828	1.2
109.76978	0.4
111.00746	0.9
113.02314	0.5
119.03378	0.9
120.01138	1.6
121.02773	0.7
123.00742	1.4
123.04385	1.4
125.02267	0.7
130.04112	1.5
131.04874	0.8
136.98996	0.5
137.02322	0.8
138.90025	0.5
139.00253	2.9
150.03226	0.5
151.00285	0.8
151.03909	0.6
152.01036	1.0
155.04968	0.6
159.04405	0.7
161.04486	0.5
163.00323	0.6
163.05991	1.5
167.03436	2.4
169.06520	1.7
173.04451	0.9
175.30864	0.4
181.04985	1.0
181.06497	0.8
182.02110	0.8
182.07318	0.7
183.02901	0.6
193.01366	1.5
193.06503	1.4
197.06078	2.1
198.06744	0.6
205.06857	0.5
208.05266	1.6
209.06018	7.6
210.06795	3.7
213.01839	0.7
213.05486	0.9
220.05299	1.7
221.06023	5.0
224.04774	0.5
225.05531	9.9
226.06311	34.5
227.06746	0.9
228.04326	0.5
229.04991	2.8
230.05939	0.6
237.05536	5.5
238.06317	24.2
240.07991	0.5
241.05104	4.6
241.08685	6.9
243.06657	1.2
253.05072	3.3
253.08731	6.7
257.00879	1.4
269.04449	0.6
270.05347	8.4
279.69684	0.6
281.04568	1.7
282.05341	29.3
283.05655	1.3
284.07001	2.8
285.07697	89.1
286.08154	3.2
287.02133	1.1
289.24451	0.5
297.07687	100.0
298.08105	3.5
315.08725	3.7
315.12140	0.9
361.27631	0.7
433.04959	0.5
447.13214	0.7
477.00879	0.9
477.13525	1.6
477.18881	0.7
477.24298	0.9
486.42691	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05354	0.5
57.64627	0.5
59.01246	4.8
71.01231	1.5
72.74483	1.2
72.74830	0.7
72.99145	0.6
74.98942	0.9
79.16951	0.5
79.78027	0.6
85.02785	1.3
87.00767	0.7
89.02296	2.8
92.03063	0.6
93.03285	0.8
96.61340	0.5
96.95873	2.8
99.00743	0.6
101.02316	5.3
109.02802	2.1
111.00768	1.2
123.00746	1.1
123.04378	1.0
125.02272	1.0
130.04111	1.4
131.04933	0.7
133.02815	0.7
136.98952	0.8
137.02318	0.8
139.00221	2.7
151.00317	0.7
152.01025	0.9
153.01929	0.7
159.04329	0.9
165.01804	1.0
165.05510	0.8
166.02603	1.9
167.03346	1.9
169.06467	1.5
173.04475	0.8
181.04956	2.0
181.06479	1.3
182.02136	0.8
182.07320	0.8
193.06541	0.9
197.06078	2.6
203.03505	0.9
208.05161	0.7
209.05989	8.3
210.06757	3.4
213.01752	1.1
220.05208	1.0
221.06119	4.5
224.04829	0.8
225.03514	0.9
225.05548	9.3
226.06314	29.7
227.06720	1.7
229.05057	1.8
237.05548	5.5
238.06314	23.5
239.06766	0.8
240.07974	0.7
241.05077	3.1
241.08705	7.3
242.05870	0.9
243.02942	0.8
243.06598	1.0
253.05087	2.3
253.08690	6.0
257.00900	0.9
257.04559	1.3
267.06738	0.6
270.05356	8.2
282.05334	25.7
283.05588	0.7
284.07010	2.0
285.07703	86.6
286.08099	3.2
297.07690	100.0
298.07980	4.2
315.08713	4.0
315.12390	1.8
477.01144	0.8
477.13882	1.2
477.19235	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13632	0.2
56.14412	0.2
59.01234	0.7
61.98706	0.6
70.03422	0.2
72.99169	0.5
82.95274	0.5
87.00743	0.3
93.03338	0.7
96.95911	0.3
107.04865	0.7
108.02034	8.9
109.02821	0.8
113.02299	0.4
117.03328	0.5
121.02837	1.4
121.56368	0.2
123.00763	0.3
123.04389	5.7
125.02322	0.9
134.03638	2.7
135.00273	1.2
135.04401	100.0
136.04761	1.9
145.02867	3.3
146.03624	6.0
151.00316	0.3
153.01807	0.7
162.03214	0.4
163.03926	0.3
166.06277	0.8
169.69003	0.3
179.03391	0.7
181.08636	0.7
198.06964	0.3
224.04828	0.3
225.05537	0.5
226.06297	0.5
237.05560	0.3
253.05099	1.0
254.05800	2.5
255.06073	0.3
266.05875	0.4
268.07605	0.4
269.08264	1.1
281.04703	0.4
281.08191	0.5
282.05157	0.3
283.09518	0.3
284.06989	1.0
296.07010	0.6
299.09329	0.7
311.09286	0.8
313.07089	0.5
325.07208	0.4
327.08716	1.7
328.09680	1.6
342.11188	0.8
343.11920	2.9
353.10245	3.4
354.11215	3.7
383.13370	1.9
387.08673	0.3
433.13132	0.8
439.12521	0.6
458.16705	0.4
477.16043	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13504	0.3
52.29737	0.2
55.35138	0.2
59.01244	3.3
60.99139	0.2
63.39231	0.2
63.67052	0.2
69.03316	0.3
71.01238	2.8
71.35724	0.2
72.99168	0.3
73.02812	0.8
81.50280	0.2
85.02809	0.5
89.02302	5.6
93.03324	0.4
96.95876	0.6
97.02806	0.8
99.00752	1.1
101.02309	1.0
109.02821	0.6
111.04411	0.3
113.02296	0.4
115.03899	0.6
119.03358	0.2
121.02807	0.4
124.34220	0.2
125.02305	3.6
129.09384	0.2
131.03369	1.1
137.02298	2.4
138.03105	44.0
138.07571	0.5
138.99973	0.2
139.03897	14.0
139.08362	0.2
140.04250	0.4
143.03384	0.5
144.52405	0.2
149.04439	1.4
151.03885	0.3
153.05463	17.9
161.04530	0.3
168.04184	67.2
168.10216	0.7
169.04535	0.9
170.02098	0.7
173.04471	0.3
183.06541	100.0
183.13390	0.9
184.06883	2.0
190.06258	0.4
191.05521	1.0
197.04562	0.3
229.04922	0.2
233.06631	3.6
247.13318	0.4
293.08789	6.6
419.15662	0.8
433.13510	2.1
477.16086	15.6
478.16568	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1615
Annotation	Rhyncoside C
Peak:m/z	Relative Intensity
50.74142	0.1
50.94638	0.1
59.01244	2.7
67.21571	0.2
69.03302	0.3
71.01237	2.8
73.02795	0.3
75.33363	0.2
79.24171	0.2
80.85047	0.2
81.03319	0.2
83.01237	0.3
85.02794	0.4
89.02303	4.6
92.04860	0.2
93.03310	0.4
96.95867	0.7
97.02821	0.6
99.00745	1.0
101.02316	1.4
101.20530	0.2
102.05473	0.2
109.02821	0.7
111.04340	0.2
113.02328	0.6
115.03870	0.3
116.15994	0.2
119.03396	0.4
125.02307	2.9
128.03416	0.2
131.03354	0.8
137.02316	1.9
138.03105	43.3
138.07140	0.5
139.03906	7.1
143.03334	0.2
149.04442	1.4
151.03928	0.4
153.05461	16.8
153.10193	0.3
153.90225	0.2
154.05838	0.2
161.04465	0.3
163.03972	0.2
167.98029	0.6
168.04182	64.7
168.09552	0.7
169.04524	1.0
170.02127	0.7
182.00780	0.2
182.99512	0.9
183.06541	100.0
184.06873	1.7
189.10390	0.2
190.06204	0.2
191.05521	1.1
233.06628	4.1
237.09032	0.2
247.13358	0.3
275.18005	0.2
293.08801	6.9
419.15771	1.1
433.13675	1.1
477.16153	14.4
478.16498	0.9
503.29474	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	477.19
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70745	0.4
59.01243	4.4
61.98695	11.2
67.10152	0.4
68.99670	0.6
71.01234	4.0
72.99164	1.7
73.02818	1.2
78.95762	5.0
79.42410	0.4
80.44894	0.4
81.03307	0.4
83.01243	2.0
84.99170	0.8
85.02800	0.6
87.00731	8.6
89.02296	0.9
93.03316	0.6
101.02284	0.9
103.00234	0.9
111.00751	2.9
112.09216	0.4
112.98669	100.0
113.01843	1.2
113.99038	0.5
115.00227	0.5
115.03864	0.8
117.01702	0.4
129.01805	1.3
130.03391	0.4
137.02330	0.6
139.07532	0.4
145.01294	1.5
145.02808	1.1
152.99458	4.7
154.99721	1.5
171.00563	0.8
208.36380	0.5
243.17400	0.5
249.18573	11.7
261.18600	6.6
263.20126	1.0
277.21741	0.5
279.23312	3.1
280.23669	3.8
283.26309	0.8
304.26718	0.5
305.21146	0.7
333.20746	6.2
361.20007	1.0
377.19650	1.8
377.29904	0.5
396.22156	0.4
417.26328	1.6
476.28268	1.1
477.27997	2.6
486.16013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14762	0.5
57.03322	1.3
58.00449	1.6
59.00135	1.7
59.01242	100.0
59.02505	1.5
59.76841	0.5
61.98707	1.1
69.03308	0.6
71.01240	48.2
71.02872	0.7
72.99178	1.9
73.02793	1.7
81.03335	0.7
83.01240	2.1
85.02802	8.3
87.00732	2.6
89.00228	1.4
89.02297	84.0
91.72731	1.2
95.01257	2.4
96.95843	1.0
98.84756	0.5
99.00703	0.6
101.02302	30.5
112.02703	0.6
113.02308	25.9
115.03868	1.9
119.03366	36.5
125.02318	1.1
131.03413	3.6
132.29530	0.6
133.93394	0.6
134.04552	0.7
143.03391	6.9
149.04410	2.7
149.83461	0.7
161.04446	7.3
170.51483	0.6
179.05528	25.1
193.15884	1.4
237.14948	5.2
241.34404	0.7
271.06522	0.8
281.36185	0.7
305.12543	0.7
338.76813	0.7
417.21277	9.3
428.45505	0.8
469.21390	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82730	0.6
55.01735	1.1
57.03302	2.6
57.56184	0.9
59.00096	1.7
59.01242	100.0
59.02490	1.7
61.98403	1.1
61.98693	13.3
66.35004	0.7
69.03304	1.4
71.01239	36.7
72.99158	3.6
73.02799	16.9
78.53653	0.8
78.95753	1.5
82.95261	2.5
83.01232	6.2
83.04881	1.0
84.85640	0.7
85.02809	20.8
87.00740	4.8
87.04411	0.9
87.45699	0.9
89.02291	8.7
90.02755	1.0
95.01243	2.5
97.02829	1.5
99.00738	6.2
101.02300	29.7
103.03868	3.2
113.02309	19.3
114.02635	0.9
115.03899	1.6
119.03374	2.7
125.02296	3.0
127.11164	2.2
132.56404	0.9
141.01729	0.9
143.03378	3.9
145.04916	1.1
147.84857	1.8
148.71964	1.0
159.02914	2.2
161.04453	15.5
163.06161	1.1
180.51561	1.1
181.08609	3.3
223.13309	1.2
243.02969	2.0
271.02472	3.5
271.15576	3.0
283.26303	1.3
289.13312	1.9
289.16547	29.0
299.02039	1.7
300.02972	1.2
301.20132	2.0
314.04486	1.5
315.05124	2.5
331.17648	2.0
355.67761	1.0
417.25055	3.4
435.22357	65.8
436.22717	3.7
459.09485	1.1
477.10349	4.4
477.22787	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	477.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04311	0.4
57.03320	0.7
58.00460	1.9
59.00081	1.5
59.01244	88.5
59.02548	1.1
59.30949	0.4
60.99155	0.7
61.98676	0.6
63.86987	0.5
64.23085	0.6
69.03312	1.7
71.01241	32.1
71.02953	0.6
71.04879	1.6
72.99144	0.8
73.01213	1.9
73.02806	100.0
73.04599	1.3
75.00766	0.7
79.98827	0.4
81.03318	5.9
83.01241	25.4
84.02001	0.7
85.02806	4.6
87.00748	1.3
89.02299	10.9
95.01228	0.8
96.25977	0.5
97.02811	2.3
99.00754	1.4
99.04369	8.4
99.76254	0.5
100.99691	1.4
101.02305	79.7
102.15065	0.5
103.03901	0.7
113.02311	9.7
115.03882	5.6
117.98211	0.5
119.03383	3.4
121.70857	0.5
125.02330	2.1
129.05647	0.6
131.03372	6.1
139.11182	1.0
143.03371	7.6
144.86298	0.5
149.04433	7.4
151.11244	0.8
153.12743	0.9
155.03435	1.1
161.04453	20.4
163.11205	1.9
169.12282	1.7
171.23759	0.5
175.14857	2.9
181.12259	2.0
191.14320	0.8
193.15907	28.7
197.02083	1.1
203.05560	1.4
209.15459	1.2
211.17059	0.6
219.13870	1.5
221.06680	2.3
234.58952	0.6
237.14940	9.1
237.17134	0.7
255.16039	6.3
273.17068	1.6
435.22443	2.2
477.23431	58.6
478.23712	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
64.61452	3.3
112.09555	2.8
140.01219	2.9
149.21515	3.1
154.67331	2.9
159.04408	4.4
162.83847	3.7
203.10692	7.1
231.10265	41.7
246.08969	5.1
259.09766	100.0
268.64059	3.3
275.09299	6.4
280.87286	3.5
316.13953	3.6
419.23013	3.6
477.19226	20.4
477.26407	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58353	3.5
58.27800	3.9
59.01248	19.8
59.07811	3.8
61.98692	48.3
61.98943	4.5
66.93871	3.1
69.07246	3.1
71.01261	10.1
78.95787	18.4
81.03313	10.8
83.08098	3.8
84.02066	4.7
89.02349	7.9
91.73335	5.6
96.95872	100.0
96.96804	32.8
98.03599	11.3
99.04443	4.2
101.02319	8.4
108.02075	9.8
117.03358	6.2
119.04900	7.6
145.02856	10.8
159.99382	4.2
173.04485	5.7
200.61154	4.4
204.93327	5.1
219.04140	4.3
249.18509	8.0
265.24738	5.7
275.88635	5.2
279.23395	20.0
283.26450	6.4
288.01685	4.7
289.25504	10.1
293.25009	15.4
307.26450	54.0
317.24753	6.9
318.85266	4.8
335.25937	35.3
417.21414	11.7
439.15833	10.7
441.26712	15.8
459.27472	20.5
477.27167	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	477.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	8.6
60.53698	5.6
71.01232	10.3
72.04622	6.6
79.73052	5.9
81.03294	6.2
84.78078	5.8
89.02306	6.3
102.24262	6.2
107.01218	8.2
125.02290	14.1
135.04399	6.5
151.00241	14.2
159.04475	11.1
189.05400	6.9
203.10707	16.1
205.28101	6.3
217.05127	11.9
220.54465	7.6
231.10201	61.1
243.10320	30.9
247.09727	11.2
259.09744	100.0
275.09283	56.0
279.23312	48.4
381.01010	7.5
383.13663	10.2
459.21658	9.6
477.21799	29.4
477.26599	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	477.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46912	0.8
63.63926	0.9
86.83905	0.9
89.82091	1.0
93.03336	1.9
106.04140	2.7
107.04893	14.5
119.04885	5.9
121.02839	6.8
125.38260	1.0
133.98921	1.3
175.11276	4.3
283.26645	1.3
300.06421	1.1
339.39304	1.2
346.68372	1.1
351.26959	25.5
395.25943	100.0
396.26273	3.1
481.71423	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2649
Annotation	bipinnatone A
Peak:m/z	Relative Intensity
50.84588	1.1
59.01240	4.0
61.98692	2.1
62.27525	0.9
69.65164	1.0
73.45497	1.0
77.90479	1.1
78.95760	6.5
79.34232	1.1
96.96877	1.3
118.66938	1.1
119.04908	1.1
123.04401	2.7
131.04904	2.3
135.04425	1.3
146.03682	2.3
147.04410	8.4
149.05975	2.9
154.75902	1.0
172.62392	1.4
173.02359	1.5
174.03099	7.8
175.03960	6.7
188.04738	2.9
189.09160	1.5
200.08472	1.8
201.01952	2.0
213.09204	1.9
215.10826	4.7
216.04115	6.4
217.05087	4.1
219.37006	1.5
231.10255	10.3
235.41486	1.3
259.09753	100.0
260.10394	11.5
270.51270	1.2
274.11996	1.5
279.23273	2.0
280.23560	1.6
317.08835	1.4
366.18616	2.4
393.20840	3.1
433.27823	2.3
470.33521	1.6
477.26666	40.0
478.26767	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	477.2647
Annotation	schweinfurthin F
Peak:m/z	Relative Intensity
53.39669	0.5
53.55436	0.4
61.12408	0.6
65.43383	0.6
67.49057	0.5
78.95737	2.5
83.23910	0.5
85.89233	1.4
85.89664	0.8
100.88140	0.6
111.13360	0.6
120.72816	0.7
123.04375	0.6
125.96440	0.6
127.49680	0.7
131.04910	1.0
146.03590	1.3
147.04401	4.5
149.05896	1.8
152.99437	0.8
159.04402	2.2
160.05142	2.3
172.05112	1.1
173.05962	1.1
174.03120	4.8
175.03937	6.3
175.11205	0.9
184.95044	0.6
185.06018	1.0
187.03938	1.0
188.04648	3.0
189.09198	1.0
197.05988	0.9
199.07716	0.9
200.08440	0.7
201.01862	0.7
201.05446	0.7
202.06279	6.4
203.10715	10.4
211.07591	1.0
213.09213	0.9
215.06982	1.3
215.10664	2.3
216.04248	3.4
216.07758	0.7
217.04810	0.9
223.07523	1.5
227.07068	2.6
228.07655	1.0
229.04938	1.3
229.08626	0.9
231.10234	32.3
241.08536	0.7
246.08963	1.8
259.09760	100.0
260.10251	4.3
263.10623	0.6
275.09286	1.2
281.11847	0.7
281.24844	11.3
286.11929	3.1
291.13986	1.2
357.18774	0.9
359.16321	1.0
360.17490	1.1
363.19623	0.9
375.19705	2.4
377.17606	1.4
391.18875	1.1
392.19977	6.7
393.20795	1.9
402.72769	0.9
441.24475	0.8
459.25708	4.7
462.24414	1.1
477.26526	68.0
478.27020	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85514	0.7
59.01235	1.2
61.12414	0.8
61.98688	1.0
66.55644	0.7
74.14510	0.8
78.80147	0.7
101.02901	0.7
117.31692	0.9
118.21729	0.8
119.04916	0.8
127.98421	0.7
130.57114	0.8
133.12582	0.8
159.04437	2.8
160.05243	1.9
173.00479	0.9
188.04747	2.2
203.10715	12.4
216.04207	1.2
231.07840	1.6
231.10228	50.4
259.09760	100.0
260.10040	2.0
300.56723	0.9
367.96686	0.9
444.93765	1.2
477.26480	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	477.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43222	4.0
53.70305	4.3
57.03315	13.3
58.91735	3.9
91.73302	6.0
96.21773	6.5
96.22373	6.0
99.08016	23.6
109.02808	7.2
111.08035	37.6
111.08680	6.4
139.07486	6.4
140.07794	5.2
155.07060	14.8
159.04457	12.2
164.70120	5.5
171.08043	12.9
177.99127	5.7
185.06004	6.4
199.07657	9.8
203.10733	12.5
205.15843	6.8
217.15788	6.8
231.10243	54.6
237.12775	8.1
247.09909	7.2
259.09753	100.0
260.10428	28.3
275.09241	13.6
293.18881	6.2
305.19165	12.1
307.20685	12.8
331.20712	11.8
333.18622	7.3
349.21805	86.8
350.22049	8.1
389.28250	8.2
393.17267	8.0
405.27985	42.2
415.26581	21.5
433.27524	62.5
444.17538	6.8
459.24603	13.3
477.27478	98.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02124	0.1
54.38615	0.1
56.81234	0.1
57.37128	0.1
59.01237	0.3
60.26896	0.2
61.98697	0.1
71.68279	0.1
89.03817	0.1
91.72708	0.3
117.03326	17.4
117.06647	0.3
118.04198	0.6
119.04891	8.0
121.02802	0.6
125.09592	0.3
127.11157	1.0
133.02797	0.2
138.71434	0.1
143.10680	0.3
145.02835	100.0
145.07285	1.3
146.03163	1.5
155.10722	0.2
157.12233	0.7
163.03905	5.7
171.10190	0.4
187.13312	0.2
193.04965	0.3
201.11185	0.2
262.62186	0.1
311.22394	0.1
313.23886	1.7
329.23355	0.7
331.24918	12.9
332.25204	0.4
382.33282	0.1
402.22116	0.1
459.27594	0.5
477.28598	41.5
478.28912	1.7
482.03149	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	477.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	23.5
61.98692	1.9
64.95500	0.8
65.52429	1.0
66.80267	0.9
69.03329	0.9
71.01244	13.3
73.02809	3.1
78.31252	0.9
81.41936	1.0
83.01248	2.3
85.02838	2.2
87.00727	1.2
89.02295	5.7
101.02324	4.5
113.02315	6.0
115.03924	1.4
119.03356	1.5
125.02373	1.3
129.54018	1.4
143.03310	1.3
161.04459	1.5
177.08936	1.0
237.22244	1.8
239.23830	2.4
251.23991	1.6
255.23303	78.0
267.23270	3.1
269.24878	100.0
270.25201	2.6
279.23288	7.0
283.26300	2.1
297.24329	17.1
309.24448	3.0
313.23868	4.7
327.25430	2.2
361.10287	2.9
369.11597	8.5
441.17361	20.4
442.17841	1.5
477.14676	6.0
477.31955	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	477.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	23.5
61.98692	1.9
64.95500	0.8
65.52429	1.0
66.80267	0.9
69.03329	0.9
71.01244	13.3
73.02809	3.1
78.31252	0.9
81.41936	1.0
83.01248	2.3
85.02838	2.2
87.00727	1.2
89.02295	5.7
101.02324	4.5
113.02315	6.0
115.03924	1.4
119.03356	1.5
125.02373	1.3
129.54018	1.4
143.03310	1.3
161.04459	1.5
177.08936	1.0
237.22244	1.8
239.23830	2.4
251.23991	1.6
255.23303	78.0
267.23270	3.1
269.24878	100.0
270.25201	2.6
279.23288	7.0
283.26300	2.1
297.24329	17.1
309.24448	3.0
313.23868	4.7
327.25430	2.2
361.10287	2.9
369.11597	8.5
441.17361	20.4
442.17841	1.5
477.14676	6.0
477.31955	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	478.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64853	0.1
59.00964	0.2
59.01240	1.4
60.01597	0.1
61.97431	1.9
61.98692	100.0
62.00169	0.7
71.01247	0.4
77.68799	0.1
85.02824	0.2
86.33639	0.1
89.02319	0.5
91.72727	0.2
101.02279	0.4
115.03886	0.2
119.54829	0.1
124.20209	0.1
125.57587	0.1
161.04515	0.1
170.06967	0.1
174.64233	0.1
181.08675	0.5
182.08850	0.3
418.20261	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	478.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48178	0.2
54.80771	0.2
61.48202	0.2
61.97306	1.5
61.98692	100.0
61.99896	1.5
62.99090	0.2
78.95802	0.2
83.80035	0.2
92.25954	0.2
96.67577	0.2
98.93831	0.2
118.37443	0.2
119.04919	0.2
221.79102	0.2
274.91129	0.2
281.24902	0.6
305.56686	0.2
478.29425	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24144	0.3
52.04797	0.3
58.58968	0.3
59.01237	0.3
61.98694	5.1
63.94118	0.3
66.82971	0.3
72.28330	0.3
76.98895	0.4
78.95763	18.4
80.56541	0.3
90.09362	0.4
96.96796	1.3
120.40449	0.3
140.01062	1.7
152.99480	3.6
171.00523	3.3
196.03731	1.0
214.04843	2.3
259.09720	0.6
260.10019	0.6
280.36600	0.4
281.24872	100.0
282.25220	2.4
357.19836	0.5
476.73447	0.4
478.29449	18.5
479.29150	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59398	0.4
61.98693	7.3
69.69115	0.4
73.29089	0.4
78.95758	18.1
90.09811	0.5
96.96761	1.3
140.01009	2.0
152.99500	3.1
156.45256	0.5
171.00485	3.0
196.03757	0.6
197.89238	0.5
214.04770	2.3
259.09714	0.5
260.10239	0.7
281.24860	100.0
282.25238	3.4
334.91272	0.6
357.19568	0.5
478.29459	17.5
479.29901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.294
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
56.39614	0.2
58.22604	0.2
59.01234	0.3
61.98693	8.3
62.96294	0.2
76.78837	0.2
78.93857	0.7
78.95761	41.3
78.97465	0.4
86.08491	0.2
87.93595	0.2
90.09352	0.4
90.09891	0.4
96.96812	2.0
101.92538	0.2
121.99977	0.9
124.99186	0.2
134.98390	0.2
140.01064	6.0
140.42635	0.2
150.97893	0.3
152.99472	6.6
162.47316	0.2
168.67957	0.2
171.00554	4.9
180.78831	0.2
196.03738	10.0
214.04785	2.3
224.99940	0.2
227.17526	0.3
281.12003	0.8
281.24869	100.0
282.25189	3.3
344.01691	0.2
357.19482	0.4
371.33405	0.2
404.25977	0.5
478.29419	41.7
479.29721	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	478.3175
Annotation	Pingpeimine B
Peak:m/z	Relative Intensity
50.81564	0.2
52.38747	0.3
52.98851	0.4
56.85004	0.2
59.01244	3.9
60.31482	0.7
61.98701	1.2
71.01232	0.3
82.26398	0.2
83.59975	0.2
89.23858	0.2
99.87849	0.3
113.15884	0.3
117.03329	22.1
117.06652	0.3
118.04128	5.4
119.01157	0.4
119.04893	30.2
120.05206	0.5
121.02824	7.5
123.04389	2.0
133.02823	2.0
134.03613	0.7
145.02835	52.7
145.07425	0.6
145.74376	0.3
146.03192	0.8
147.04379	0.3
162.03125	3.1
163.03911	14.0
164.04442	0.3
165.97269	0.2
281.11728	0.3
338.67413	0.3
354.29947	0.2
446.28934	0.3
474.07019	0.3
478.31750	100.0
479.32025	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	478.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61802	1.0
57.97390	1.0
58.48946	1.2
59.01237	3.7
61.98693	7.8
63.01019	0.9
63.63054	0.9
71.01244	14.8
71.04880	22.3
72.00765	4.3
88.03899	14.6
98.02322	2.6
100.03897	1.8
101.20226	1.0
107.21398	1.1
108.08070	1.2
126.09129	10.5
126.37620	1.0
128.07048	84.7
130.87238	1.1
144.02917	6.5
146.08145	11.2
180.56905	1.2
198.49373	1.1
200.09222	94.2
218.10304	12.0
223.67104	1.1
255.23276	7.7
256.23624	12.0
274.10928	1.0
277.21735	100.0
278.22043	1.8
330.05655	1.6
367.02338	1.4
396.44040	1.4
430.97934	1.4
442.17838	2.4
478.14813	4.8
478.31754	69.3
479.32150	1.7
489.21707	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79128	0.3
59.00967	0.7
59.01242	8.5
61.86198	0.3
71.01244	3.8
72.99203	0.5
73.05632	0.5
73.26650	0.3
74.98946	0.8
83.01240	0.8
85.02816	1.0
87.00734	0.6
88.01992	0.4
89.02292	3.9
90.66877	0.4
91.72682	0.7
96.22845	1.0
96.23463	0.7
99.04069	0.4
101.02310	2.6
107.01242	1.3
108.02031	0.9
108.81369	0.4
109.02809	1.2
111.44640	0.4
113.02282	1.9
119.03376	1.4
120.82536	0.4
123.00729	0.5
124.01538	3.1
125.02346	0.4
135.00798	0.6
136.01555	0.9
136.99011	0.9
137.02307	2.5
147.00760	5.3
148.01561	4.4
149.02357	0.4
149.04434	0.4
150.03116	0.7
151.00267	5.8
151.03909	0.4
152.01018	2.7
152.20731	0.4
153.01849	0.4
161.02309	0.7
162.03119	8.2
163.00305	1.6
163.03908	0.6
164.01053	2.1
165.01840	0.5
167.03371	2.9
178.99767	6.3
180.35555	0.4
189.01923	0.5
195.06572	0.6
199.04007	0.7
203.03444	1.1
204.04185	0.7
214.02670	6.9
215.03493	0.9
227.03421	1.0
232.03705	0.5
241.05159	0.7
242.02188	6.1
243.02927	4.5
253.05043	1.1
255.06606	0.9
259.02481	6.5
267.06628	1.8
269.04556	3.9
270.01685	7.2
271.02493	44.8
272.02988	0.9
283.06192	1.2
284.06897	3.3
287.01984	25.1
288.02402	2.0
299.09253	31.6
315.01416	0.6
316.02249	100.0
317.02948	16.6
343.11902	0.8
479.08344	76.4
480.08362	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09261	0.8
57.03323	1.5
59.01244	18.5
60.99172	0.9
61.98693	14.8
71.01247	9.2
71.04866	1.1
72.99181	3.1
73.02811	5.0
75.94633	1.0
78.95748	0.9
81.03305	1.2
83.01241	2.7
83.04877	1.0
85.02795	3.9
87.00735	3.0
88.98650	2.1
89.02308	11.2
93.03323	6.4
96.22879	1.4
99.00757	2.2
99.04341	2.2
101.02295	5.8
104.47681	1.0
107.01279	1.7
109.02829	2.8
111.04393	3.5
113.02341	5.0
114.02669	1.2
115.03864	1.9
118.97971	6.0
119.03368	3.4
119.04871	1.5
124.01572	1.8
125.02335	4.5
128.03409	3.6
136.01569	1.4
137.02368	5.2
143.04472	1.9
148.01575	1.3
149.02307	2.7
150.03065	1.6
151.00253	6.5
152.01065	1.8
155.03386	1.7
159.40025	1.0
161.04605	3.0
163.00296	2.2
164.01099	1.8
165.01765	1.8
165.05484	2.2
169.01346	2.1
173.04472	17.6
174.01643	6.4
174.02933	1.1
175.02364	2.4
175.04962	1.4
178.99828	6.2
179.05556	2.2
191.05455	1.3
195.06604	2.7
201.11258	2.3
214.02702	8.0
219.02959	1.1
227.03423	1.4
242.02161	5.9
243.02995	3.9
244.09860	3.3
256.03751	1.1
259.02499	6.6
270.01773	6.5
271.02493	41.3
272.08728	1.3
284.03525	1.5
287.01987	25.6
288.02789	1.9
289.07010	2.5
299.05658	4.2
299.14975	3.7
299.18497	2.3
311.18018	1.1
316.02255	100.0
317.02991	14.0
317.06479	1.3
317.19763	1.5
342.53351	1.1
347.17291	2.2
384.10654	2.0
389.64355	1.3
433.20642	2.9
443.19009	2.7
459.32990	1.2
464.87744	1.4
479.08270	77.2
479.25455	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	479.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82072	1.0
57.03311	7.8
58.53994	1.1
59.01239	15.0
65.00186	2.1
71.01232	19.7
72.99160	3.7
73.02810	2.1
75.00726	10.3
81.03303	2.0
83.01228	4.1
85.02793	3.7
87.00729	31.4
88.81254	1.2
89.02286	4.6
89.03773	1.8
89.93608	1.3
93.03318	4.0
96.95866	37.5
99.00732	9.8
105.85258	1.3
107.01244	3.0
108.02036	1.4
109.02806	11.2
111.00713	1.5
111.04359	2.6
115.00233	53.2
121.02811	6.2
121.37385	1.3
121.38290	1.3
123.00750	2.1
123.04381	4.8
124.01524	1.3
125.02309	84.1
128.03433	2.3
133.02791	3.9
133.04933	2.1
135.02856	26.5
137.02322	18.4
139.03880	5.8
142.99730	2.9
148.01445	2.9
149.02307	13.5
150.03064	2.4
151.00253	15.1
151.03867	7.4
153.01842	4.2
159.00734	2.4
159.02856	8.5
159.04266	2.3
161.02333	3.0
163.00278	14.3
163.03917	2.6
164.01036	3.5
165.01831	30.5
165.05437	4.5
167.03392	7.1
173.04465	3.1
174.01619	1.7
175.00406	3.0
175.02388	100.0
175.03741	3.5
176.01077	4.7
177.01840	80.5
178.02341	2.9
178.99768	4.7
179.03355	5.5
189.01881	3.3
190.02667	4.0
191.03683	6.7
191.05444	8.9
193.01375	4.5
195.02921	5.0
195.06627	1.4
197.41830	1.4
202.99791	29.9
203.03520	1.7
204.00555	4.4
205.01317	10.3
205.05130	1.4
213.05516	2.0
215.03453	2.8
217.01373	26.6
218.02086	2.2
219.02856	1.7
221.00990	1.3
225.05380	1.3
231.02937	2.8
233.04427	2.1
235.02484	1.7
243.03365	1.4
255.06645	2.2
257.04541	3.5
259.02658	1.6
271.06180	2.3
271.09576	1.4
273.04123	1.5
281.04584	1.8
287.05649	4.3
299.05847	6.2
301.03473	2.4
303.05124	7.6
305.06668	9.6
315.05017	1.7
317.03137	11.2
317.06671	2.1
322.03198	1.7
323.04141	12.5
335.04242	2.5
341.05185	4.7
343.04572	49.0
357.06287	1.8
359.04160	1.5
361.05634	9.3
371.04224	7.4
380.15591	2.3
381.15881	2.9
461.07156	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	479.0984
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
59.01226	0.8
61.98669	0.4
73.96555	0.4
96.95885	0.5
108.02036	2.1
109.02809	1.4
112.05635	0.4
119.68387	0.4
119.90520	0.4
121.02807	1.1
123.04382	2.0
124.23484	0.5
126.68376	0.4
135.04356	0.6
136.01523	0.8
148.81984	0.4
149.02402	0.5
150.24777	0.4
151.00255	0.5
151.03871	0.4
165.01796	0.5
169.02779	0.5
179.03391	0.6
184.05025	0.4
185.02264	0.9
186.03035	0.5
199.03960	0.6
200.04753	0.8
211.03931	0.6
213.01868	0.9
214.02440	0.6
226.02715	1.0
227.03464	12.0
228.04077	0.9
229.01337	0.9
239.03400	0.5
241.01340	1.2
241.05132	0.5
241.93549	0.5
242.02194	1.4
250.02724	0.8
251.03424	1.2
253.01384	0.5
255.02988	3.6
256.03775	6.7
270.05338	8.9
271.02365	0.5
273.00366	0.7
275.07071	0.8
279.02939	1.0
281.04407	0.5
287.07092	0.7
288.02789	1.4
291.06680	1.6
292.03931	1.7
293.04532	0.6
297.03922	0.7
298.04871	0.9
299.06113	0.4
301.05161	2.2
302.04208	5.4
303.06567	2.6
305.04474	0.5
307.06152	0.8
313.05023	1.0
314.05768	0.5
315.06635	1.1
317.04620	0.9
317.08151	0.8
318.05331	1.5
319.06094	4.0
320.06589	0.5
329.04614	1.6
330.05167	1.1
331.06097	3.1
333.07635	1.6
334.04684	0.6
334.08450	0.7
335.05515	1.0
340.03790	0.8
341.04572	0.9
343.06131	0.7
345.03940	0.7
346.04846	1.3
347.05624	3.6
348.06003	0.8
355.06052	1.0
356.03397	1.1
357.04126	2.5
358.04779	2.0
359.05630	3.9
359.10132	0.6
359.10828	0.5
361.07233	2.6
362.07922	1.0
369.03995	0.5
371.05463	2.7
372.06470	1.2
373.07419	2.3
374.04083	2.3
375.05112	6.9
376.05725	1.9
377.06549	1.0
385.03439	0.5
387.05020	3.2
389.06677	6.6
390.07501	10.7
391.08240	5.1
392.08801	1.0
402.07535	3.8
405.05307	0.8
405.09921	9.7
416.05356	1.1
417.09930	1.6
420.08426	2.2
431.08051	0.7
433.05276	0.8
435.11047	6.0
446.06418	1.5
449.08853	10.2
450.09271	0.7
461.08917	2.2
479.09860	100.0
480.10214	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	479.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90834	1.0
54.47683	0.9
59.01239	8.7
61.98696	30.3
63.96092	3.6
71.01246	4.1
72.99151	4.2
73.98155	1.1
74.38577	1.2
74.98956	68.6
83.01254	1.2
85.02818	1.5
87.00740	2.0
89.02280	2.3
93.03309	1.7
96.95858	2.7
97.02737	1.1
97.06475	1.0
98.73219	1.1
101.02323	3.1
104.80105	1.2
107.01275	1.0
108.02029	6.0
109.02814	70.6
109.05731	1.5
111.00745	3.1
113.02309	1.5
117.53263	1.1
117.97207	1.8
119.04884	3.6
121.02760	2.9
123.00776	7.9
123.04374	2.5
124.01533	4.6
125.02325	1.6
131.04922	2.6
133.02835	9.8
135.04424	7.0
135.98230	4.6
136.01570	2.3
136.99025	100.0
137.02328	41.8
137.03355	2.5
143.04912	1.7
145.02826	8.0
146.03619	13.0
147.04405	31.8
149.02315	6.4
149.05930	7.9
150.03143	7.8
151.00215	3.4
151.03885	6.5
153.01848	1.7
157.02917	1.2
158.03603	3.3
159.04445	12.4
161.02341	5.6
161.05974	23.5
163.03885	2.9
163.51526	1.3
164.98216	1.8
165.01904	1.6
173.02380	3.6
174.03133	7.7
174.04433	1.3
175.03915	48.8
176.04430	1.5
177.05545	2.4
178.99869	2.1
179.03404	3.5
182.99228	1.2
187.03906	10.7
188.04684	2.5
189.05539	2.5
190.02667	1.1
191.03404	6.4
193.06476	1.6
201.02577	1.1
203.03503	1.5
203.74098	1.0
203.81195	1.3
209.06029	2.5
211.07701	2.4
215.03497	1.5
218.02089	2.1
219.02940	19.7
221.06024	1.6
225.05489	1.4
227.07001	1.5
231.03018	3.2
237.05533	4.9
238.06335	1.5
239.07111	1.8
243.06602	1.4
249.05655	1.5
250.06403	2.7
253.05061	3.6
254.05812	3.1
255.06581	4.6
258.09100	3.5
263.07108	1.7
264.04379	1.3
265.05084	22.7
266.05823	8.0
267.06592	8.6
269.08209	3.2
271.02570	5.5
273.11319	1.2
279.06625	5.7
281.04794	2.6
281.08212	13.4
282.05600	5.6
282.08432	2.0
283.06119	16.9
284.07114	2.0
285.07715	57.4
286.08124	2.3
287.01981	3.6
287.05621	3.7
293.04669	1.5
295.06058	3.4
297.07700	15.1
299.05661	1.8
301.07062	2.4
302.07904	2.4
307.06033	6.7
310.04767	2.0
311.05640	44.8
312.05930	1.7
315.08624	1.4
316.02383	6.9
317.03177	8.7
317.06662	2.3
317.10254	5.3
325.07065	2.4
329.06854	6.8
341.06656	33.0
341.19644	2.1
381.08249	6.6
391.18002	1.6
417.09824	8.3
435.10916	4.4
441.11975	2.5
461.08899	2.6
479.09689	65.9
479.19940	15.9
480.10022	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94229	0.4
59.01239	3.0
67.01728	1.0
69.58820	0.4
70.79678	0.5
71.01234	2.5
72.99143	0.6
73.46319	0.7
75.00722	0.7
75.38327	1.2
81.03296	1.3
82.53358	0.5
82.90638	0.5
83.01189	0.7
85.02789	1.5
87.00694	0.6
89.02301	1.0
89.03984	0.5
93.03297	4.2
95.01215	1.4
95.04842	0.6
96.95874	4.5
99.00745	0.5
101.02316	0.7
104.43452	0.5
107.01208	0.8
107.04877	2.9
108.02028	27.5
109.02815	6.7
111.00726	3.8
113.02277	0.6
120.01095	0.6
121.02806	4.9
122.03603	13.4
123.00748	27.7
123.04385	39.5
123.07962	0.6
124.01541	16.1
124.04617	0.7
125.02327	3.3
128.03392	4.6
128.89996	0.8
129.01816	1.9
129.03751	0.8
129.05450	0.6
135.00766	0.8
135.04417	1.1
136.00557	0.8
136.01541	10.0
139.00194	0.9
147.00739	4.1
148.01549	4.3
149.02327	1.2
150.03076	1.0
151.00226	0.8
152.01019	0.6
153.01823	1.4
153.05463	3.0
162.03093	3.7
163.03893	6.9
165.01816	1.7
166.02592	2.0
167.03253	0.6
169.01340	4.9
179.03374	0.8
198.01640	1.7
207.41187	0.6
225.05669	0.5
229.05002	1.6
229.08661	28.7
230.09055	1.3
252.68887	0.6
255.06598	1.9
257.04587	4.8
262.19870	0.7
271.05984	1.2
272.06909	23.6
273.07690	61.8
274.08060	2.9
287.09256	80.9
288.09595	3.8
317.10297	100.0
318.10602	6.1
435.12775	3.8
479.12802	13.2
479.21689	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.2
61.48016	0.5
61.98684	0.7
67.01743	0.8
67.80787	0.4
69.98751	0.5
70.44273	0.4
71.01236	1.7
72.90223	0.4
72.99169	0.6
73.46333	0.9
73.46712	0.6
74.77254	0.5
75.00738	0.8
75.38376	1.0
76.60560	0.5
81.03314	0.9
81.37910	0.7
83.01233	0.6
85.02802	1.3
89.02309	1.1
93.03320	3.7
95.01265	1.4
95.04874	0.7
96.95858	4.2
101.02306	1.2
107.01237	0.9
107.04870	2.9
108.02032	29.1
109.02837	6.6
111.00747	3.9
112.94482	0.5
113.02308	1.0
116.88235	0.5
119.92216	0.5
120.01100	0.9
121.02841	3.9
121.22336	0.5
122.03600	15.8
122.04991	0.6
123.00755	26.6
123.04391	37.7
124.01546	17.1
124.04756	1.0
125.02330	2.9
128.03444	4.6
129.01839	1.7
129.03783	1.0
135.00793	0.7
135.04422	1.9
136.01534	10.7
137.02312	1.0
138.83138	0.5
139.00233	1.4
147.00764	4.7
148.01556	3.4
149.02339	1.9
150.03113	1.7
153.01874	0.7
153.05475	2.4
162.03108	3.8
163.03912	7.9
165.01823	2.0
166.02628	2.3
169.01315	4.0
178.99719	0.8
179.05525	0.7
187.03903	0.5
191.81056	0.5
198.01668	1.9
211.07584	0.8
229.05118	1.0
229.08675	29.3
230.09007	1.3
243.02982	0.6
244.07408	0.6
255.06660	1.7
257.04626	4.4
271.06149	1.1
272.06934	23.7
272.95370	0.6
273.07703	60.1
274.08093	4.3
287.09271	79.7
288.09628	4.2
299.05862	0.7
299.09198	0.6
313.05609	0.8
317.10306	100.0
318.10623	4.9
435.13113	4.5
436.13809	0.6
449.14471	0.8
479.12628	17.7
479.21460	2.1
480.12561	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	0.3
58.00437	0.2
59.01242	11.5
59.02460	0.2
61.68439	0.2
62.18819	0.2
63.02238	0.2
65.00177	0.6
68.91370	0.2
71.00865	0.4
71.01238	5.8
72.56192	0.2
72.99163	0.6
73.05617	0.2
74.98949	0.8
76.84465	0.3
83.01230	0.8
83.27335	0.2
85.02817	1.4
87.00741	0.6
89.02294	6.1
89.02841	0.4
95.01257	0.5
96.22872	0.5
96.23485	0.5
96.95861	0.7
99.00744	0.2
101.02301	3.4
107.01241	1.5
108.02042	0.7
109.02795	1.2
113.02315	2.0
119.01224	0.5
119.03384	2.2
120.01109	0.6
121.02773	0.4
123.00736	0.3
123.04411	0.3
124.01549	2.9
125.02303	0.8
134.03615	0.5
135.00752	0.7
135.04366	0.3
136.01521	0.8
136.99022	0.9
137.02321	2.3
139.00269	0.3
140.05171	0.2
143.03287	0.3
147.00758	9.2
148.01534	5.2
149.02341	0.3
150.03104	0.5
151.00258	6.2
151.03838	0.3
152.01038	1.9
153.01811	0.7
158.03690	0.5
159.04433	0.3
161.02328	0.4
162.03120	12.9
163.00244	1.9
163.03885	1.4
164.01070	2.2
165.01865	0.4
165.05424	0.3
167.03406	2.3
167.07030	0.3
169.01312	0.7
175.03871	0.5
178.61745	0.2
178.99774	7.1
185.02344	0.4
187.03935	0.5
189.01854	0.3
190.99898	0.3
192.00624	0.3
194.02255	0.3
198.03227	0.4
199.03943	0.5
201.01823	0.3
203.03450	1.1
204.04160	0.6
213.05406	0.3
214.02646	7.8
215.03381	0.5
217.01390	0.3
219.02991	0.3
224.04701	0.5
225.05611	0.3
227.03433	1.3
227.87062	0.3
229.01367	0.3
231.03026	0.6
232.03658	0.4
236.13043	0.3
241.00078	0.6
241.05028	1.1
242.02214	6.1
243.02963	4.0
244.03664	0.4
252.04341	0.5
253.05084	1.8
255.06602	0.8
256.07358	0.3
259.02490	8.0
260.02960	0.4
267.06619	3.0
268.03806	0.7
269.04575	6.1
270.01727	8.0
270.04681	0.4
271.02496	41.4
272.02841	1.8
281.07837	0.3
283.06195	1.9
283.08945	0.3
284.06943	5.0
287.01990	25.5
288.02646	2.0
299.09256	43.8
300.09665	1.4
315.01602	0.6
316.02249	100.0
317.02933	17.9
318.03363	0.8
341.06570	0.3
343.11853	0.5
359.03714	0.4
391.08807	0.3
391.13855	0.4
479.08337	71.4
480.08658	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	479.1691
Annotation	Agastinol
Peak:m/z	Relative Intensity
53.03735	2.7
57.32417	2.8
58.52764	2.5
59.01237	21.7
59.45665	2.8
62.29793	3.0
69.03302	4.5
70.56573	3.2
71.01231	27.4
72.21421	3.8
72.99153	15.3
73.02808	6.6
73.89953	3.3
75.18336	3.0
77.17789	4.0
79.11133	3.1
85.02773	5.4
89.02298	47.1
93.05332	3.9
95.69378	3.5
97.04190	3.4
99.00722	7.0
101.02281	6.7
113.02314	4.3
115.03904	4.0
125.02325	19.0
135.04388	6.1
143.55859	3.5
149.04477	8.0
149.09627	18.0
150.02959	3.7
162.20399	4.0
179.03546	5.4
191.05574	8.9
223.54112	3.9
233.06708	17.4
246.14989	4.1
293.08780	100.0
315.77728	4.1
443.19098	50.5
479.16949	88.7
480.16635	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	479.169
Annotation	Agastinol
Peak:m/z	Relative Intensity
58.07038	2.0
59.01245	8.8
60.86766	2.7
69.62018	2.2
71.01240	3.8
71.54559	2.1
72.99210	3.2
89.02312	7.0
96.95875	30.7
101.02328	4.0
116.70372	2.5
119.03461	3.0
151.00281	3.0
179.05556	4.7
203.14366	2.6
316.02460	9.6
317.03082	11.7
347.57278	2.9
443.19299	6.6
479.08493	12.7
479.16922	100.0
479.24637	9.9
480.17279	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	479.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75575	1.6
59.01232	7.1
59.01482	1.3
68.37162	1.8
71.01240	4.7
74.32648	1.5
78.95762	5.2
89.02293	6.1
96.95876	32.1
96.96823	6.7
101.02249	1.7
107.01259	1.9
109.02761	2.2
113.02286	2.3
119.03373	3.2
120.28449	1.5
131.59537	1.6
137.02332	4.6
139.14262	1.5
151.00238	8.3
164.01138	2.3
179.05530	3.9
191.05659	1.9
191.77827	1.6
245.11925	1.7
271.02563	3.5
299.01932	3.6
316.02277	10.5
317.02979	11.4
401.26450	1.8
443.19351	7.4
479.08478	16.2
479.16888	100.0
479.23972	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	479.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.2
58.00450	1.3
58.99919	0.9
59.01242	82.2
59.02408	1.5
60.32808	0.4
61.98693	25.3
61.99967	0.5
62.36466	0.5
69.03321	0.5
71.01239	44.7
71.02770	0.9
72.01565	0.6
72.99159	1.9
73.02804	9.2
81.88744	0.5
83.01247	2.2
85.02795	6.8
87.00734	6.1
88.99879	1.1
89.02296	100.0
89.04444	1.3
90.02624	1.1
90.52516	0.4
91.73038	1.1
96.12357	0.5
97.02805	0.8
99.00740	0.6
101.02303	38.7
111.00728	0.5
113.02304	11.0
117.72964	0.5
119.02613	0.6
119.03371	6.0
125.02306	2.5
131.03372	38.9
131.07224	0.8
132.03662	0.6
143.03334	0.9
149.04443	91.8
150.04741	1.8
151.00255	1.0
161.04491	1.1
165.05421	0.8
179.05518	1.0
183.10147	0.9
191.05536	23.1
227.03436	5.3
251.07695	2.2
255.02983	8.9
257.17593	0.9
281.08813	0.8
284.03271	10.2
285.04120	2.7
293.08878	1.2
311.09775	1.5
317.06647	1.2
317.19571	1.6
417.08301	15.5
419.19272	19.9
420.19415	1.7
429.26901	0.8
436.67026	0.7
443.19147	0.7
479.10480	0.8
479.24768	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	479.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74389	0.3
55.01754	1.0
57.03325	1.0
58.00467	0.5
59.01245	10.1
61.04096	0.3
61.98694	0.4
62.00142	0.4
65.03823	6.0
69.03318	1.3
69.64063	0.4
71.01238	8.9
71.04911	0.6
72.99164	6.4
73.02808	3.6
81.03305	2.4
83.01219	2.0
83.04884	4.5
85.02805	5.3
85.99958	0.5
87.00735	1.7
89.02305	1.3
95.01237	0.8
97.02815	1.0
99.00754	0.8
99.04376	3.5
101.02307	7.4
109.02789	0.6
111.00753	0.8
111.04417	0.8
113.02309	1.6
114.72585	0.4
115.03894	0.8
117.05431	1.3
125.02351	0.8
126.02657	0.4
127.03893	1.7
131.03415	0.7
145.04950	5.5
150.19202	0.5
150.88680	0.4
154.96147	0.6
161.04332	0.5
172.29031	0.4
173.04428	1.2
201.14902	0.9
255.03024	0.5
294.67996	0.4
317.02283	0.9
317.19696	1.7
332.04623	1.2
333.05005	0.6
333.19290	0.5
375.20255	0.5
435.22382	1.4
443.22614	0.7
461.23950	4.5
479.25003	100.0
480.25311	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	479.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74389	0.3
55.01754	1.0
57.03325	1.0
58.00467	0.5
59.01245	10.1
61.04096	0.3
61.98694	0.4
62.00142	0.4
65.03823	6.0
69.03318	1.3
69.64063	0.4
71.01238	8.9
71.04911	0.6
72.99164	6.4
73.02808	3.6
81.03305	2.4
83.01219	2.0
83.04884	4.5
85.02805	5.3
85.99958	0.5
87.00735	1.7
89.02305	1.3
95.01237	0.8
97.02815	1.0
99.00754	0.8
99.04376	3.5
101.02307	7.4
109.02789	0.6
111.00753	0.8
111.04417	0.8
113.02309	1.6
114.72585	0.4
115.03894	0.8
117.05431	1.3
125.02351	0.8
126.02657	0.4
127.03893	1.7
131.03415	0.7
145.04950	5.5
150.19202	0.5
150.88680	0.4
154.96147	0.6
161.04332	0.5
172.29031	0.4
173.04428	1.2
201.14902	0.9
255.03024	0.5
294.67996	0.4
317.02283	0.9
317.19696	1.7
332.04623	1.2
333.05005	0.6
333.19290	0.5
375.20255	0.5
435.22382	1.4
443.22614	0.7
461.23950	4.5
479.25003	100.0
480.25311	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	479.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01732	1.6
57.03308	1.6
59.00071	1.8
59.01244	92.5
59.02530	1.6
61.01658	1.2
61.98694	5.3
69.03323	0.9
69.57771	0.9
71.01242	31.6
72.99179	1.4
73.02806	16.1
78.95766	1.9
82.49236	0.9
83.01232	7.3
85.02804	20.5
87.00735	3.1
87.04337	0.9
89.02279	7.1
90.35116	1.2
95.01226	2.2
96.45806	1.0
96.93436	1.0
96.95871	61.5
96.96857	2.6
97.02821	1.5
99.00732	5.1
99.04372	1.3
101.02303	36.0
103.03880	2.9
108.49927	0.9
111.00739	0.9
113.02305	16.1
115.03911	1.5
119.03388	1.4
119.04901	3.2
125.02306	3.8
131.03365	2.2
143.03366	3.0
147.04388	1.6
147.45203	1.8
151.57880	1.0
152.99402	1.2
159.02888	3.1
161.04472	11.5
163.03918	1.9
195.21049	1.1
205.07076	2.0
271.19409	1.1
273.17154	2.2
291.18146	42.6
297.97580	1.1
331.55771	1.3
333.19077	1.7
346.34152	1.3
419.22229	1.7
437.23941	100.0
438.24246	3.1
468.23373	1.4
479.25092	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	479.2804
Annotation	CHEBI:69690
Peak:m/z	Relative Intensity
57.46547	2.0
59.01224	2.6
61.23503	2.0
61.74767	2.1
63.09855	2.1
69.76748	2.1
71.96283	2.6
91.66000	2.3
93.03308	2.9
94.88779	2.2
99.51764	2.4
101.05960	4.7
123.08050	5.5
125.87213	3.6
127.07541	2.7
139.69351	2.3
149.09660	3.5
155.88077	2.9
185.09602	3.0
216.79646	2.7
232.97543	3.7
245.11746	12.1
253.12257	3.4
259.13394	9.9
281.53232	3.2
359.20297	4.2
377.21277	5.3
395.22021	3.3
407.11981	5.5
479.28098	100.0
480.28058	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	479.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15544	2.5
59.01231	5.1
69.64240	2.9
80.59356	2.8
95.22280	2.7
134.49112	3.0
203.10675	6.3
231.10223	49.4
259.09750	80.3
260.10468	5.1
316.45435	3.7
339.19992	6.0
399.60825	3.4
417.55518	3.8
426.12457	3.9
479.28119	100.0
480.28754	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	479.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24933	1.9
59.01252	2.8
64.40245	1.8
73.65010	1.9
81.90556	1.7
84.45705	1.9
95.04877	2.6
99.07957	2.4
101.05930	2.7
102.07910	1.7
107.04945	2.4
112.76402	2.0
123.08038	3.2
129.89267	2.2
144.12621	2.2
147.08026	2.5
159.04465	2.6
173.06142	2.9
188.04820	2.9
203.10757	9.6
215.10973	4.5
217.12450	5.0
231.10243	44.0
231.13878	3.9
245.11896	3.3
259.09760	72.5
260.10532	4.2
281.12012	3.0
311.16760	7.2
325.18213	3.8
346.86118	2.2
347.16782	2.3
365.17459	2.6
377.17850	7.6
431.22717	8.2
443.22626	8.3
444.81821	2.4
461.23880	12.7
479.28430	100.0
480.28391	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	480.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.2
60.01577	0.2
61.01656	0.1
61.97251	0.9
61.98693	100.0
61.99947	2.1
71.01250	0.6
71.04883	0.3
83.35310	0.1
89.02299	0.8
91.02747	0.2
91.72771	0.2
92.98488	0.1
101.02348	0.3
102.02648	0.2
113.02338	0.2
115.03883	0.6
116.04241	0.3
119.03368	0.2
139.11156	0.1
223.47992	0.2
257.17249	0.1
308.43158	0.1
380.29947	0.1
419.22073	0.3
420.22531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35195	0.2
56.84819	0.2
59.01245	3.5
61.97576	1.0
61.98694	100.0
61.99963	1.9
66.25224	0.2
71.01248	0.6
72.35256	0.2
72.40798	0.3
79.57117	0.3
85.02811	0.3
87.29589	0.2
89.02280	0.5
91.73341	0.5
101.02322	0.4
126.57957	0.3
227.03607	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14521	0.1
59.01236	1.0
61.97535	1.4
61.98692	100.0
62.00029	1.7
64.13814	0.1
66.48659	0.1
71.01237	0.6
85.02776	0.1
87.00735	0.1
89.02306	0.4
101.02328	0.5
113.02312	0.3
114.35687	0.1
115.03883	0.8
119.03379	0.2
128.91313	0.1
154.08337	0.1
154.44147	0.1
161.04515	0.2
193.15979	0.3
227.13812	0.1
237.15080	0.2
255.16112	0.3
306.11414	0.1
406.15164	0.1
417.21426	0.6
437.59976	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	480.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.3
60.01576	0.1
61.01676	0.1
61.97437	1.8
61.98694	100.0
62.00152	0.8
62.98409	0.1
71.01236	0.5
71.04884	0.1
73.01704	0.1
73.26182	0.1
74.61867	0.1
75.68142	0.1
81.03307	0.1
85.02818	0.2
89.02289	0.7
90.02596	0.2
91.02709	0.1
96.95896	0.3
97.03408	0.1
101.02322	0.4
113.02306	0.2
115.03871	0.7
116.04217	0.2
117.04359	0.2
119.03381	0.1
156.70595	0.1
161.04520	0.2
191.25041	0.1
193.15988	0.2
194.16351	0.2
239.15607	0.1
240.15775	0.1
244.60057	0.1
256.16431	0.2
265.85376	0.1
280.41058	0.1
403.39337	0.1
419.22012	0.4
420.22330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91171	0.2
60.75381	0.2
61.97271	1.5
61.98693	100.0
61.99966	1.9
66.88011	0.2
74.77771	0.2
76.60374	0.2
93.32286	0.2
94.91584	0.2
96.05947	0.2
152.99590	0.3
189.12808	0.2
253.21735	0.5
459.27048	0.2
481.26105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41303	0.9
57.03309	0.2
65.00208	0.2
75.25478	0.2
75.25923	0.2
77.03812	0.9
81.03329	0.3
83.01258	0.3
93.03307	1.6
95.04889	0.7
96.95872	0.6
97.02811	0.2
99.20927	0.4
107.01240	0.4
109.02106	0.4
109.02821	5.9
110.58926	0.2
113.02331	0.2
121.02820	12.0
123.00737	0.3
125.02334	2.0
129.01791	0.2
131.41554	0.3
135.04390	0.6
136.01572	0.3
137.02321	1.6
139.03882	0.9
148.87709	0.2
149.02345	0.6
151.00255	2.3
152.00766	0.3
153.00655	0.5
153.01823	5.6
163.00322	0.4
164.01003	1.6
165.01834	100.0
165.07202	1.2
166.02199	1.7
175.00314	1.2
177.01866	0.5
178.99751	0.7
179.03403	0.6
187.03929	0.3
189.01959	0.4
191.03461	0.3
193.01344	5.7
207.02907	3.5
215.03404	0.3
257.04639	0.5
263.09824	0.2
283.02490	1.5
301.03549	1.6
309.06152	0.3
319.04587	2.8
327.07239	57.8
327.22577	0.6
328.07590	2.1
341.05032	0.4
354.34045	0.3
491.58389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
62.29470	0.4
73.36095	0.4
93.32370	0.5
95.91243	0.7
95.91864	0.7
104.90456	0.4
108.02033	6.9
109.02821	8.7
110.80543	0.4
111.46036	0.4
123.04381	3.4
146.78461	0.4
151.05469	0.4
152.01044	16.6
153.01826	10.4
157.86884	0.4
167.03410	12.3
173.73140	0.4
185.02390	0.5
188.82458	0.4
211.03880	0.8
213.01849	1.6
213.05515	1.2
214.06335	2.0
224.04611	0.6
225.05530	1.5
226.06316	0.5
227.03453	8.6
229.01485	0.4
239.03464	1.2
240.04243	2.5
241.01390	1.6
241.05048	3.7
242.02097	0.7
242.05826	3.8
251.03519	1.0
252.04359	0.7
253.05016	2.6
254.05910	0.6
255.03009	3.3
256.03830	1.7
267.03015	2.1
268.03830	3.5
269.04590	15.1
270.05341	17.5
271.05743	0.5
279.03152	0.6
280.03796	3.8
281.04584	4.1
282.05344	10.5
283.06119	7.4
296.06830	2.1
297.04074	2.4
297.07608	14.9
298.04831	22.2
299.05475	1.7
302.04370	1.2
312.06430	3.7
313.07196	37.4
314.07651	0.9
327.08801	3.1
391.08221	0.9
405.10062	0.8
422.09937	2.2
437.12378	1.9
466.08905	0.5
481.11423	100.0
482.11810	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	481.1353
Annotation	Catalposide
Peak:m/z	Relative Intensity
55.44363	1.1
57.97068	0.4
59.01245	2.8
62.71321	0.5
65.03832	0.9
67.20503	0.5
71.01244	1.4
72.03474	0.5
73.02808	0.9
75.05593	0.5
76.96577	0.5
81.03321	2.4
83.01263	0.7
83.04876	4.3
85.02788	0.8
87.00790	0.5
88.03899	0.7
89.02302	2.9
93.03315	33.3
96.95900	0.9
97.02832	0.6
101.02303	1.5
109.02824	1.2
111.04380	11.2
113.02296	0.9
117.03307	1.5
119.04893	99.0
120.05221	1.3
125.02313	2.1
137.02319	26.9
139.00241	0.9
145.02827	8.5
149.02301	0.7
151.00259	1.0
153.01831	0.9
155.03386	20.0
163.03906	100.0
164.04268	2.0
173.04559	0.8
174.20204	0.5
178.99858	1.2
179.05519	0.7
189.07610	0.9
205.04950	0.6
209.11674	0.7
215.74635	0.5
216.38885	0.5
231.06694	0.9
231.11377	1.0
249.89542	0.6
259.10815	1.7
273.07822	0.7
301.03638	0.7
319.08243	65.5
320.08505	2.8
325.09344	2.3
361.09354	1.8
445.21201	0.9
471.55627	0.5
481.13474	28.1
482.13904	1.3
497.89188	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1352
Annotation	Catalposide
Peak:m/z	Relative Intensity
53.00716	0.3
55.44370	0.8
55.44591	0.4
57.03310	0.3
58.76822	0.3
59.01241	3.0
65.03819	1.1
65.65417	0.3
71.01246	1.5
73.02825	0.7
76.96549	0.4
81.03311	1.9
82.23094	0.4
83.04877	4.7
85.02802	0.8
87.00728	0.4
88.03904	0.6
89.02264	1.9
93.00822	0.4
93.03313	32.3
93.05601	0.5
94.03633	0.4
95.01228	0.9
96.02035	0.5
96.95844	1.0
99.00719	0.5
99.04377	0.7
101.02325	0.9
109.02782	0.6
111.04373	11.4
114.17577	0.4
117.03327	1.9
119.04889	98.6
119.08161	1.2
120.05211	2.0
120.99540	0.5
125.02330	1.0
137.02319	26.2
141.02037	0.4
143.03383	0.6
145.02824	9.9
149.02339	0.5
151.00246	0.7
155.03387	19.3
156.03773	0.4
162.78967	0.4
163.03903	100.0
163.09149	1.2
164.04243	2.6
166.05676	0.5
167.03430	0.5
173.04440	1.1
178.99843	0.4
189.07611	0.8
231.06665	0.7
259.10907	1.7
319.08237	69.4
320.08594	3.7
325.09323	2.1
341.05127	0.5
361.09375	3.0
445.21097	0.5
481.13461	29.5
481.25906	0.9
481.27676	0.8
482.13858	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	481.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32504	11.0
54.01490	11.3
59.01235	49.7
63.96058	11.4
69.31667	11.7
71.01238	27.6
73.02811	18.2
74.98946	33.3
76.98528	37.9
78.66866	11.9
79.02541	10.3
89.02294	36.7
91.73415	23.9
94.94833	12.7
96.95866	83.4
99.04388	14.4
101.02328	14.8
104.44638	12.8
108.02072	20.6
109.02824	60.7
109.15628	18.5
112.94269	15.1
123.04420	26.2
125.02365	25.9
135.00633	13.3
135.04367	16.3
136.99030	39.7
137.02393	20.6
137.09636	19.5
139.03882	46.9
150.03142	15.7
151.03871	26.8
189.16559	14.4
243.02983	23.0
275.09341	83.3
283.06073	16.0
283.15640	75.2
285.62469	14.7
286.01282	38.3
287.02005	53.4
324.60452	16.1
437.14169	27.8
438.14038	15.2
445.04037	18.0
445.20987	20.3
463.05539	20.0
481.14853	100.0
481.20602	31.9
481.26886	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	481.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55128	2.7
57.03308	13.4
58.66295	2.4
59.01241	29.6
61.98705	4.8
64.39085	3.1
71.01238	16.0
72.99162	5.9
73.90505	3.3
75.00726	5.2
75.25861	3.0
78.91747	3.1
81.03331	3.5
83.01241	8.5
85.02818	5.6
87.00735	3.2
89.02294	19.7
93.03321	3.8
95.79203	2.9
96.95869	10.8
101.02286	8.7
107.01246	8.7
113.02332	4.9
115.03899	4.4
119.03358	6.4
124.01563	6.7
124.11781	3.4
125.02313	100.0
128.03346	3.3
129.33330	3.1
137.02298	11.9
139.03871	9.3
149.02371	4.3
151.00217	27.6
151.03902	3.6
152.00980	7.4
153.01836	10.2
155.03482	3.5
159.40228	3.1
165.01787	23.7
167.03424	16.8
175.00314	3.8
177.01781	4.6
178.99690	18.6
179.05582	5.2
180.00110	3.5
186.97987	4.0
191.03479	10.2
193.01338	62.8
205.05109	4.8
215.03590	6.1
230.97487	3.6
231.06604	79.6
233.04459	7.6
255.02936	9.7
257.04453	6.9
260.24792	3.5
275.05652	20.1
283.02438	24.3
290.98605	3.9
301.03525	6.4
319.04468	7.3
355.06812	24.1
437.11032	15.7
445.20630	16.7
449.20422	6.7
453.10083	5.2
463.08905	44.4
481.09930	39.4
481.18359	98.5
482.10495	6.6
482.19165	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	481.1849
Annotation	Daphnetoxin
Peak:m/z	Relative Intensity
50.63708	1.1
51.94273	1.0
59.01234	4.4
71.01247	6.3
73.02788	3.7
73.13754	1.2
78.95761	1.4
83.01210	1.4
85.02799	3.8
89.02307	2.5
99.00753	2.1
101.02307	7.6
109.02814	1.6
113.02286	2.0
125.02315	2.6
137.02301	1.7
161.04498	5.0
195.93190	1.4
286.57590	1.6
304.84491	1.5
313.16605	6.4
396.32419	1.5
445.20822	58.2
481.18445	100.0
482.18756	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	481.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03954	4.2
59.01239	3.4
71.01237	1.8
72.99155	1.6
74.02326	3.9
81.03308	2.9
85.00866	1.3
89.02309	2.8
96.00800	1.7
96.95875	4.2
98.02345	1.7
98.05972	2.0
99.05446	1.6
99.08015	68.6
101.02261	1.8
101.05947	8.6
106.56673	1.4
107.04890	3.6
108.04414	18.0
109.02831	1.8
110.05954	2.6
112.08685	10.1
113.05415	1.4
113.07098	1.4
114.05466	8.8
114.38797	1.4
115.08622	5.1
124.03909	28.0
127.08682	1.4
131.08139	100.0
132.04428	2.4
134.03622	1.4
134.05940	2.2
135.04419	3.1
136.03911	10.9
136.04990	2.5
137.02370	1.3
139.11166	38.5
143.08145	9.0
146.06062	1.4
147.11748	1.6
153.12752	3.6
156.07661	8.8
157.10822	4.2
159.04318	1.7
163.11134	6.5
165.12724	7.5
173.10333	34.2
174.05482	1.6
175.11217	4.1
177.10277	4.2
177.12759	18.0
185.10368	4.8
188.07185	1.8
190.08745	1.6
191.09245	1.4
191.10770	4.7
193.12280	20.6
195.11375	13.5
199.08235	3.8
203.10741	5.5
207.09947	6.6
217.11183	1.5
218.11766	2.2
219.10283	3.7
219.12569	5.5
220.13385	48.5
221.13919	2.4
229.01456	1.5
229.09384	7.1
236.12941	6.8
237.13564	35.0
249.08861	2.5
249.13541	8.3
251.09213	7.6
253.09526	3.6
261.19687	4.0
263.21265	2.3
271.18182	2.4
272.16403	1.7
274.14459	7.7
285.07678	1.4
286.01254	1.8
289.19250	42.6
290.19498	1.8
291.11118	2.9
305.19891	2.6
306.13452	1.5
307.20245	10.6
314.18668	6.1
331.21408	84.6
332.21655	3.2
335.09738	2.7
347.20612	1.6
349.22473	85.2
350.22586	6.0
375.20383	19.9
393.21487	83.3
394.21857	4.8
409.20914	4.3
437.15131	2.4
437.20514	19.6
481.19553	8.9
490.67905	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	3.2
58.00451	1.7
58.99963	2.2
59.01242	86.2
71.01242	41.9
71.62621	1.9
72.99195	1.9
73.02811	5.8
83.01246	3.3
85.02818	7.8
87.00742	23.0
87.04369	2.0
89.02296	51.4
96.95865	6.6
99.00751	1.9
101.02303	27.3
101.05930	2.4
102.98460	3.4
104.55163	2.0
107.01257	4.5
107.97196	2.3
109.06454	3.3
113.02296	19.2
115.03857	17.1
119.03378	25.6
125.02329	17.0
125.09598	2.5
127.07514	25.3
128.03487	2.5
131.03375	4.4
137.02322	4.9
139.03838	2.5
141.09140	2.2
143.03368	6.1
147.00766	3.1
149.04443	2.5
151.00249	15.1
153.01833	6.2
154.32527	1.9
161.04405	13.0
165.01834	4.9
165.64961	2.0
169.08626	3.4
175.00356	13.0
175.01685	2.6
175.05995	4.6
177.01784	4.4
178.99796	6.1
179.05511	27.2
179.10661	3.0
181.01355	4.5
191.03351	3.0
193.01338	27.1
205.12378	3.9
221.11790	4.2
233.99263	2.2
241.05057	3.8
241.14491	3.2
256.07388	2.7
257.04434	2.6
259.15521	32.9
271.09848	8.5
301.03427	7.0
305.16177	7.2
319.04544	13.8
341.05267	6.9
421.20834	100.0
463.08905	6.6
481.23236	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	481.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87066	1.0
59.00054	1.4
59.01243	100.0
59.77326	0.9
61.98702	6.9
68.08894	1.1
69.03291	1.4
71.01241	56.8
72.99172	3.4
73.02808	10.9
78.95773	2.6
83.01247	4.5
85.02799	11.0
87.00726	4.2
89.00084	1.5
89.02297	96.7
95.01268	1.2
96.95892	1.8
97.02809	1.9
98.31016	1.1
99.00735	2.1
100.99669	1.3
101.01648	2.9
101.02306	48.4
111.00766	1.8
113.02312	15.5
119.03391	7.4
125.02349	3.1
131.03383	44.4
131.04372	2.2
143.03363	1.8
149.04446	86.2
155.58943	1.2
161.04434	2.2
179.05595	2.3
191.05551	19.1
204.41258	1.6
238.91681	1.4
251.07736	2.3
289.16623	9.6
304.97906	1.6
342.87192	1.4
381.09430	1.3
421.20810	89.8
422.21179	3.5
429.27399	1.4
445.20938	1.3
459.58035	1.3
480.25272	2.3
481.25613	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	481.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57954	1.1
54.57793	1.5
61.98678	5.2
68.05164	1.4
72.99168	3.6
81.03297	4.3
95.01223	2.0
108.02043	5.4
109.02811	36.7
111.00750	3.0
120.19106	1.7
123.00698	3.3
124.01507	2.2
125.02327	5.5
135.04378	7.0
139.03874	1.9
151.00269	14.0
152.01021	3.2
153.00667	3.3
153.01833	42.7
179.03448	9.0
191.52914	1.7
204.26761	1.9
213.75266	1.8
231.14012	2.8
233.00755	1.8
247.20667	3.7
265.21661	3.7
291.19717	2.9
309.20709	7.1
327.21707	12.2
345.22870	26.6
365.21545	2.0
383.18515	8.7
399.14337	3.3
421.11649	2.8
443.20673	6.1
463.23071	2.2
481.24432	100.0
482.24329	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	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72728	0.5
55.52711	0.5
62.26907	0.7
62.55917	0.5
71.09274	0.5
78.43958	0.5
78.95755	42.0
85.59736	0.6
96.96832	4.2
103.49964	0.6
103.64823	0.5
117.03316	0.6
152.99466	68.1
153.99814	0.7
171.00526	19.0
212.28392	0.6
227.03197	3.8
245.04286	100.0
246.04617	2.3
253.21700	63.2
254.22050	3.3
422.37183	0.9
480.30777	0.7
481.25705	45.2
482.26288	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24739	0.6
54.85715	0.8
56.55250	0.5
59.01245	1.0
78.95765	7.0
83.65598	0.8
91.73284	1.4
96.95861	0.7
152.99480	13.3
155.85173	0.9
160.28616	0.7
160.82404	0.7
166.10233	0.8
167.03383	3.6
171.00478	1.0
176.56291	0.7
193.04936	3.7
221.73166	0.6
221.84776	0.6
222.75311	0.7
227.03226	3.3
233.11717	0.9
245.04303	1.2
253.21729	100.0
254.22061	3.4
303.12350	1.2
361.16907	2.2
421.19333	3.9
481.25656	28.4
482.25751	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	481.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45549	0.2
59.01229	0.2
61.98691	0.2
65.69724	0.2
74.52557	0.2
78.95760	6.6
85.05932	0.4
86.17650	0.2
86.94376	0.2
96.96812	0.3
100.46095	0.2
108.02007	0.3
152.00981	0.6
152.99478	13.4
166.62704	0.2
167.01993	0.4
167.03406	7.8
167.04788	0.5
168.03706	0.3
171.00529	1.1
213.87740	0.2
227.03207	2.3
245.04396	1.3
253.10870	0.9
253.21730	100.0
254.22014	3.9
421.11221	0.3
478.30972	0.2
481.25729	26.5
482.26279	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	7.1
58.19619	0.6
61.98677	1.0
65.03819	1.5
67.67030	0.6
69.03294	1.4
71.01240	8.2
71.04871	4.4
72.99151	0.8
78.95750	3.2
79.05368	0.9
80.98184	0.6
81.03333	0.9
83.04878	1.8
85.02822	0.8
93.03331	1.5
95.04888	1.9
97.02802	2.5
99.08025	9.2
101.02309	1.2
101.05941	2.8
106.63509	0.7
107.04877	2.4
108.02017	0.8
109.02811	2.0
109.06473	1.2
111.04389	0.9
119.04897	1.1
121.02828	2.5
122.03601	8.9
123.04386	9.8
123.08052	2.3
125.02295	0.9
126.10610	0.8
131.04887	0.9
133.06433	1.0
135.04375	0.8
135.08066	1.1
136.01541	3.0
136.05170	1.1
137.05946	1.3
137.09592	0.9
139.03825	1.0
144.05672	1.9
145.10146	3.3
147.04393	1.1
147.08006	1.0
149.05981	2.0
149.09610	0.8
149.91991	0.7
152.99539	1.8
156.05716	1.3
157.06453	1.2
159.04344	0.9
159.08005	1.0
161.09586	1.1
163.07561	1.1
164.81445	0.8
167.03413	8.7
171.08101	1.4
173.05925	1.0
173.09676	0.8
179.38821	0.8
183.08147	0.9
185.05977	0.9
186.06738	1.0
187.07454	0.9
187.11221	1.2
188.04651	0.9
189.12741	0.9
194.70277	0.7
198.06783	0.7
198.10551	1.0
199.11211	2.2
199.14926	1.0
201.05559	2.0
201.09117	1.1
201.12807	0.9
203.10732	1.0
207.07990	1.0
211.11267	1.4
211.14856	1.0
213.09213	1.1
213.12724	0.9
215.14297	1.2
217.12251	1.4
221.09595	1.3
223.07613	0.8
223.11087	1.4
225.09146	1.3
225.12793	0.8
226.09909	1.0
227.10748	2.4
227.14352	1.2
229.08694	1.2
229.12393	1.2
229.15973	2.4
232.10974	1.0
233.11867	1.2
237.12788	2.1
239.10817	4.2
240.11661	0.9
241.12216	1.1
243.10461	1.0
244.11055	4.6
249.12947	0.9
251.10794	1.9
251.14500	1.2
253.12222	3.6
253.15916	1.8
253.21729	11.7
265.15988	1.1
267.13809	3.7
267.17474	1.8
269.11902	1.8
269.19125	1.4
277.15762	1.2
279.13950	3.5
279.17215	1.4
281.15445	1.3
291.13974	1.1
293.15710	1.5
295.17358	1.5
295.20737	2.7
297.18689	0.9
307.17090	1.3
309.57376	0.9
311.16608	1.0
312.17236	1.3
319.16949	1.0
323.16571	1.8
323.20212	0.9
324.17291	2.3
335.16479	1.3
335.23883	1.2
337.17950	1.3
337.21680	9.6
349.21863	1.1
351.23438	1.6
361.21756	2.1
363.19598	10.2
363.23657	0.9
377.21225	1.0
379.22629	7.5
379.26541	9.6
405.23880	1.1
408.23129	0.8
415.26437	2.8
417.28281	1.1
419.29636	0.9
423.25500	3.1
427.26797	3.6
433.27359	3.0
435.29306	4.5
443.25632	1.9
445.27518	49.9
446.28033	2.4
448.25476	0.9
451.28680	5.6
461.27191	1.2
463.28586	100.0
464.29034	4.3
481.30115	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45742	0.2
50.59059	0.2
55.88927	0.3
56.40637	0.3
57.03302	1.0
57.94881	0.3
60.44279	0.2
63.96040	0.3
65.43195	0.3
71.04874	22.0
71.06470	0.4
81.03297	2.2
83.04862	0.4
84.25109	0.3
90.50809	0.3
97.02798	4.6
105.07021	0.5
106.04101	0.4
107.04872	1.2
109.06445	6.3
121.06455	3.2
123.08001	2.1
128.97076	0.4
135.08051	0.5
135.11581	0.4
142.48474	0.3
145.10173	0.5
147.07964	0.3
147.11661	2.9
152.91943	0.3
161.09618	0.4
163.07501	0.4
163.11177	0.8
173.09647	0.7
173.13249	0.6
175.11188	0.5
179.10741	0.4
187.11171	0.5
187.36549	0.5
188.08325	0.9
189.09125	0.7
189.12788	1.8
189.16417	0.7
190.09895	0.3
191.10651	1.5
191.14398	0.4
199.14734	0.3
213.12788	0.9
215.10712	0.4
215.14316	0.9
216.11525	1.0
229.12222	0.5
231.13872	8.7
233.15424	1.8
241.16057	0.4
243.13943	0.6
253.21823	0.5
269.19113	3.8
283.17010	0.5
295.20645	0.5
297.22214	0.9
307.20657	0.8
325.21793	0.9
337.25330	0.6
379.26456	15.1
380.26889	0.7
413.74808	0.3
423.25415	4.9
481.29608	100.0
482.29944	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	481.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88742	1.6
51.69957	1.8
52.36793	1.6
59.01236	2.4
61.98693	3.8
62.33685	2.0
63.95054	2.8
72.99168	2.7
78.95770	5.9
81.03338	3.8
84.25002	2.2
95.04909	7.6
99.08018	8.3
101.05934	8.3
109.02828	3.0
111.92009	2.7
119.08521	2.9
121.02834	3.0
121.06522	2.8
123.04404	8.5
123.08025	10.9
123.72341	2.3
145.06532	2.7
149.09651	3.3
152.99516	2.4
163.11185	4.1
167.89467	2.2
179.10672	7.6
187.07591	4.2
201.09250	5.4
205.08624	15.2
205.12224	6.4
207.10222	16.7
215.10745	3.0
229.12299	5.1
233.11777	16.7
243.10315	6.9
244.10942	11.6
247.13452	7.4
255.13982	5.0
271.13467	3.4
285.14865	4.5
286.15918	3.2
299.12924	4.6
301.83154	2.7
361.18015	13.8
379.19128	25.8
421.11160	3.8
435.29614	4.1
443.26453	2.9
445.27954	14.6
451.29202	5.3
463.28757	100.0
464.29117	7.3
481.25586	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2549
Annotation	Sczukitine
Peak:m/z	Relative Intensity
51.08897	0.5
57.57027	0.5
59.01242	4.5
59.88427	0.4
61.98695	3.1
66.03334	0.7
68.99676	17.3
70.02839	0.6
71.01221	2.0
75.00729	0.7
75.02189	0.5
78.95754	0.6
81.02045	0.8
82.99979	2.9
83.01232	1.5
86.02328	0.6
93.85474	0.6
94.02821	1.4
96.99168	7.9
98.52004	0.5
99.00735	3.7
107.03630	0.9
108.04442	0.7
109.01556	13.7
110.02326	3.9
111.03123	3.4
112.00271	0.9
113.01052	6.1
114.01830	1.7
122.02334	2.3
124.00265	1.9
126.01847	1.8
128.03404	1.4
130.06519	0.8
135.03125	3.1
142.01353	1.2
145.02847	0.6
146.06009	1.2
151.02719	0.6
152.99529	0.6
162.05507	0.6
171.06766	0.5
173.03210	9.4
174.03995	0.6
175.06352	0.9
178.47894	0.5
184.02435	0.8
186.04126	1.3
201.07843	0.6
216.06715	1.7
224.05615	0.6
228.06552	0.6
251.07996	1.9
276.08716	2.4
366.23996	0.6
376.22940	0.9
394.23901	3.3
404.22284	1.0
422.23489	14.8
482.25507	100.0
483.25607	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	482.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27933	0.1
59.01243	0.3
60.28583	0.1
61.97536	1.3
61.98693	100.0
62.00031	1.7
106.75496	0.2
245.07747	0.2
321.04657	0.2
362.87747	0.2
474.42065	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	482.276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27732	0.2
57.34697	0.2
57.61558	0.3
61.97363	1.7
61.98693	100.0
61.99837	1.1
66.87650	0.3
68.37320	0.3
75.09310	0.3
77.19756	0.3
94.60311	0.3
128.50525	0.3
134.39253	0.3
142.90527	0.3
233.30843	0.3
281.78110	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73131	0.3
58.00470	0.4
59.01241	1.8
66.58894	0.3
71.01234	0.8
79.95596	1.6
81.53130	0.3
85.02814	0.4
87.00737	2.9
89.02304	1.6
93.03342	0.4
95.95094	2.2
96.93362	1.3
96.95868	100.0
101.02297	0.6
113.02287	0.4
119.03353	0.6
121.02780	0.3
125.02296	0.6
135.04398	0.6
137.02254	0.5
139.03879	0.5
165.04227	0.5
165.05441	2.6
166.05806	1.0
167.07048	0.5
175.03940	0.4
179.05481	0.6
241.00159	1.8
256.99765	0.8
259.01282	3.1
272.10098	0.4
282.62335	0.4
305.06708	0.4
318.20343	1.4
351.03937	2.5
351.08380	0.6
365.05420	2.7
379.03455	3.3
380.04544	0.5
393.04968	5.7
394.05728	6.1
395.06525	8.1
403.12503	4.0
423.13013	1.2
483.08154	56.4
484.08582	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	483.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42459	0.2
53.42753	0.2
57.08054	0.2
59.01236	0.2
66.24601	0.4
69.21091	0.2
71.01248	0.4
72.99158	0.3
73.02808	0.2
78.10011	0.2
79.95574	0.3
89.02281	0.2
89.18202	0.2
93.03306	0.2
95.95072	0.7
96.95868	6.4
108.02016	0.5
109.02814	0.7
111.04352	0.5
121.02803	0.3
122.03599	7.5
125.02360	0.3
135.04362	0.2
136.14217	0.2
137.02332	0.7
137.05942	0.8
138.96954	0.2
149.31194	0.2
152.98537	2.4
153.01826	0.7
154.02647	0.4
165.05574	0.3
167.01773	1.0
167.07031	100.0
167.13092	0.9
168.07358	1.5
241.05043	0.2
242.05566	0.3
257.07452	0.2
258.07822	0.2
259.01245	1.4
271.09796	0.2
272.10062	0.2
321.06592	1.8
329.12503	2.1
423.13004	0.8
447.14819	0.3
483.11835	34.3
484.12140	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	16.8
66.06043	2.1
71.01242	14.6
73.02784	4.6
85.02785	3.0
85.21876	1.8
87.76570	2.2
88.08336	2.1
89.02290	22.4
93.03312	5.7
94.77380	2.3
96.95882	5.5
99.00707	4.4
99.08001	3.2
101.02315	7.4
109.02814	18.1
125.02313	10.9
138.03093	3.0
142.92599	2.2
149.04416	6.6
149.05893	2.6
153.01855	22.2
153.05470	3.0
160.45966	2.2
165.01903	2.4
165.05449	17.3
176.01064	34.1
177.01830	2.6
185.05939	4.3
193.05113	3.1
195.04526	2.8
205.12323	4.0
212.04729	2.2
213.05588	4.6
223.13428	3.6
224.04736	4.9
233.06531	5.1
240.04277	8.6
241.04964	10.5
285.04065	100.0
286.04431	5.9
293.08798	17.3
305.06830	3.2
341.83368	2.6
377.21848	3.4
388.52328	3.1
401.27173	2.9
423.22366	3.3
447.15057	54.9
448.15659	2.8
483.13242	11.3
483.20822	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	483.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	4.4
58.33857	0.7
59.01244	18.4
59.01543	1.1
61.98728	0.7
69.03311	1.2
71.01247	3.9
72.99158	3.2
73.02795	2.1
81.03310	3.7
81.31824	0.8
83.01235	4.5
85.02780	1.0
89.02294	5.1
90.29042	0.7
93.02813	0.7
93.03288	4.1
94.71909	1.4
94.72434	1.3
95.01249	3.8
95.04863	2.0
96.76778	0.7
96.95841	1.2
97.02807	4.9
99.04370	1.1
101.02295	2.4
107.04868	1.4
108.02021	1.8
109.02811	17.7
109.05960	0.7
111.04385	11.0
111.26826	0.8
113.02309	1.8
113.05923	1.1
116.00057	0.7
119.03369	1.7
119.04948	1.1
119.46282	0.7
121.02804	5.7
121.06423	1.0
122.26712	0.8
123.00726	7.8
123.04381	3.0
124.01542	4.4
125.02314	92.3
125.06161	1.1
133.06409	1.9
135.04361	5.6
136.01581	0.8
137.02324	56.2
138.03140	1.4
139.03885	27.1
147.04381	3.5
149.02339	13.0
149.05968	2.7
150.03123	5.7
151.00201	0.9
151.03883	8.0
153.01808	1.6
155.03415	1.0
159.04413	1.9
161.02316	4.3
161.06076	1.1
162.03163	3.8
163.03870	2.7
164.01056	8.6
165.01833	31.2
165.03258	1.5
165.05467	2.8
167.03406	30.0
173.05983	3.3
175.03943	4.9
175.07498	1.1
176.01051	3.6
176.04703	2.2
177.01849	17.1
177.05431	9.2
178.02623	2.3
179.01886	1.5
179.03416	24.8
179.05077	1.4
179.05699	1.2
181.05013	1.2
189.05434	1.9
191.03423	7.3
191.07047	3.3
193.04973	1.6
201.05482	3.2
202.06313	1.1
203.03445	6.1
203.06952	0.9
204.04179	4.4
213.05542	1.3
216.11526	3.4
217.04970	1.4
217.12338	3.7
218.05713	1.5
219.02998	3.3
219.06564	19.4
221.04510	8.9
228.04266	1.2
229.05119	2.2
231.06592	21.2
231.10077	0.9
233.08217	1.1
243.06644	2.4
247.02600	1.8
249.07712	1.1
255.06454	1.5
260.06854	0.8
260.10510	4.0
261.07684	7.3
261.11301	7.1
271.05984	0.9
273.07703	10.7
279.10568	0.8
287.05627	1.4
290.08051	1.6
299.05475	1.1
301.86072	0.9
303.08701	1.5
305.06696	100.0
306.06937	1.9
315.08810	1.0
317.06714	22.4
320.40912	0.8
343.08304	2.8
357.09805	2.5
359.07669	1.5
367.14105	5.8
423.12842	22.3
439.13977	2.8
445.21201	1.3
483.13031	79.6
483.19522	6.4
484.13348	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	483.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04349	0.6
57.03318	2.2
60.27912	0.8
69.03313	2.7
71.01252	0.9
71.04884	2.2
72.99165	23.4
73.02806	3.9
80.41470	1.0
81.03316	1.4
85.02811	4.5
87.00739	1.1
87.04356	4.3
89.48914	0.9
92.31756	0.8
93.03329	1.6
97.02808	5.8
98.40974	1.3
99.04389	3.1
107.04884	1.4
109.02824	3.4
113.02309	29.1
115.03886	1.8
119.04910	1.2
121.02792	1.4
121.06458	2.5
125.02305	8.1
125.09612	2.6
134.03679	0.8
135.04407	3.3
137.02344	1.0
137.05940	2.1
139.03857	2.8
141.01819	13.2
143.03391	8.3
147.04384	2.7
149.02318	0.9
149.05974	20.2
149.09627	2.0
151.11211	2.0
158.07195	1.3
165.05486	3.0
165.44908	1.0
174.03111	2.3
175.03937	4.1
175.07538	1.2
177.05478	3.3
177.12749	1.3
179.03374	2.0
179.10719	3.1
180.34850	1.0
181.12253	4.2
185.05981	1.0
186.06793	2.0
193.05066	1.3
193.12199	1.4
195.89917	0.9
202.09944	1.1
203.10770	1.0
203.14401	1.9
204.07838	1.7
204.11491	8.6
205.12213	1.8
205.15944	3.6
207.10245	5.5
209.04480	3.3
215.14316	8.1
217.12398	1.9
217.15935	4.4
221.15549	1.2
225.11296	1.6
231.10277	1.5
231.13861	2.8
232.11035	4.2
233.11876	1.8
233.15465	23.1
235.13503	1.2
243.13889	7.8
246.06229	1.0
247.06444	1.0
247.13326	1.1
259.13474	2.5
261.14984	21.1
263.12927	2.8
277.14490	5.9
287.12912	3.9
305.13956	51.2
306.14267	1.5
307.12064	4.9
327.05161	8.3
349.12949	31.6
361.13071	1.3
367.13992	100.0
368.14304	3.3
395.13605	13.8
405.11987	1.2
423.13022	87.5
424.13007	4.1
454.80685	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66024	0.1
55.14845	0.1
59.01249	0.7
61.98686	0.3
69.03306	0.2
71.01244	0.3
72.99164	2.3
73.02802	0.5
74.02326	0.2
74.99168	1.4
75.00729	100.0
75.02544	1.4
76.01071	0.5
78.84774	0.1
78.95758	3.2
83.01279	0.1
85.02797	0.3
87.00723	0.2
89.02328	0.2
90.34014	0.1
91.73402	0.2
96.24689	0.2
96.96844	0.4
101.02309	0.5
113.02321	1.4
125.02329	1.1
141.01831	0.1
141.22484	0.1
152.99469	6.3
171.00562	0.2
245.15495	0.2
259.99933	0.2
261.15198	0.2
273.15146	0.2
283.34964	0.1
291.18198	0.5
307.15375	0.2
349.13022	0.2
351.14407	1.6
352.14780	0.4
367.13998	1.7
379.14087	0.2
391.86356	0.2
395.13547	0.3
407.13647	0.6
423.13156	1.2
423.22260	0.8
483.23636	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	483.2002
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
59.01231	3.1
71.01225	5.0
72.99168	1.9
73.02798	4.6
75.00732	38.0
82.41498	0.9
83.01231	1.6
85.02812	2.5
89.02287	3.3
89.69295	0.9
91.73254	1.2
94.98022	0.9
101.02314	5.2
113.02297	4.2
125.02320	1.2
129.15291	1.2
152.99461	2.2
161.04428	2.8
163.43047	1.0
175.03972	1.0
264.72842	1.1
272.43698	1.3
315.18112	7.4
367.13898	4.6
423.13071	15.1
447.22372	48.4
448.22672	2.1
483.20020	100.0
484.20496	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	483.2004
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
50.20197	1.1
53.72265	1.1
55.56120	1.3
56.15237	1.3
58.41025	1.2
59.01247	14.8
61.98671	1.1
63.20275	1.2
66.72988	1.2
71.01235	12.3
72.99158	2.2
73.02802	4.9
75.00726	8.2
87.50210	1.2
89.02294	18.8
93.30291	1.7
99.00726	3.5
101.02311	6.6
113.02313	5.8
119.03377	3.2
130.06973	1.6
131.03374	2.5
146.80049	1.3
149.04420	9.0
178.16017	1.4
191.05547	2.8
240.45926	1.5
367.14072	5.8
423.12970	23.7
447.22391	63.8
448.22906	3.4
483.20062	100.0
484.20325	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	483.2007
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
51.92547	1.8
55.01749	1.8
58.68711	1.7
59.01247	33.1
60.85059	1.6
61.97365	2.0
61.98697	100.0
71.01244	30.7
72.99133	6.0
73.02814	18.4
75.00716	4.0
78.95775	16.7
82.95244	1.9
83.01213	8.7
84.32426	2.0
85.02796	16.9
89.02296	13.2
96.95840	2.2
99.00717	7.3
101.02305	38.1
110.62033	2.1
113.02328	15.6
119.03313	2.3
121.02808	2.5
124.18037	1.9
131.03311	3.0
133.47374	2.3
143.03355	2.1
152.99486	32.7
161.04443	15.0
171.00516	2.5
186.06731	1.9
234.85150	1.9
243.13850	3.3
287.12729	4.7
291.18167	76.3
315.18109	3.0
319.81631	2.2
321.98212	2.4
367.13669	8.8
397.59174	2.3
423.13519	15.5
423.22385	68.9
424.22702	2.6
447.09048	8.0
447.22382	50.4
483.19702	74.8
484.19864	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	483.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	1.0
58.00462	1.5
58.99910	0.9
59.01241	78.7
59.02422	1.2
59.07243	0.5
61.98694	1.2
66.99707	0.6
71.01237	38.7
72.99167	2.6
73.02815	1.4
74.02328	1.0
83.01255	2.1
85.02797	6.1
87.00718	3.4
89.02293	65.8
89.04514	0.8
95.01270	2.4
96.95881	1.5
97.02764	0.6
101.02300	28.8
113.02305	18.9
113.05963	0.8
114.05509	0.8
119.03361	28.0
125.02334	2.3
127.07522	1.4
128.03442	1.0
131.03413	3.6
137.02457	0.7
143.03355	4.1
149.04405	2.4
150.30554	1.7
161.04440	6.7
165.01781	1.0
179.05521	18.4
246.42039	0.7
261.17087	2.7
303.74637	1.0
423.22397	100.0
424.22900	5.2
483.19852	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.273
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
51.74578	0.3
59.01229	0.5
59.59860	0.3
61.04057	0.2
62.00906	0.2
70.89647	0.3
78.93948	0.3
78.95758	13.5
85.60085	0.8
89.57685	0.3
96.96819	1.0
116.86179	0.3
123.92585	0.5
137.76132	0.3
150.97891	0.4
152.99474	25.5
157.42873	0.4
171.00494	1.0
227.03233	4.1
245.04294	1.0
255.12848	1.0
255.23291	100.0
256.23666	3.3
325.18301	0.5
361.23846	0.5
391.22650	0.8
445.26025	0.5
447.10193	0.9
483.27304	53.9
484.27692	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	483.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69193	0.5
61.98688	1.0
71.34714	0.6
77.10277	0.6
78.95764	17.0
85.60111	1.2
85.60607	1.4
89.72710	0.7
96.47448	0.5
96.96800	1.9
112.98400	0.8
152.99481	30.6
171.00639	0.9
206.02242	0.6
227.03232	5.0
245.04305	1.2
255.23294	100.0
256.23590	2.5
305.71835	0.6
325.18436	2.2
337.85712	0.8
391.22321	1.0
422.52292	0.7
423.13040	3.4
483.27289	59.8
484.27679	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.7
59.01223	1.5
61.98692	1.1
71.04887	1.7
71.73483	0.5
72.99192	0.7
80.02534	0.7
81.03320	1.0
83.04897	0.8
97.02820	6.8
109.02872	0.7
109.06429	2.3
121.02805	0.9
123.08002	0.6
135.07991	0.6
135.11662	0.7
147.11674	2.0
149.09558	1.0
153.09769	0.5
163.11153	2.1
165.12692	4.4
167.03416	4.5
171.07979	0.9
175.11215	0.6
177.12787	0.7
191.10701	2.0
191.14322	1.2
193.12300	7.0
193.15843	0.6
199.11235	1.0
215.14330	0.9
217.15952	0.7
219.13710	0.6
231.94618	0.7
233.15448	1.2
235.16988	4.2
253.15964	0.9
253.21780	1.1
254.22266	1.0
255.22327	0.9
261.18716	0.8
267.17703	0.7
285.18646	2.5
292.42722	0.7
297.18668	4.3
311.20270	0.7
312.21024	0.7
327.23312	10.3
381.28012	5.5
423.13007	4.1
425.27176	5.2
483.31219	100.0
484.31647	5.9
491.17404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.312
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55207	1.0
57.03308	4.3
59.01225	1.4
61.98684	2.7
65.19445	1.1
71.04874	2.8
75.20591	1.3
75.93676	1.1
80.24057	1.1
91.72743	1.5
97.02821	3.4
99.07977	1.4
109.06476	2.6
120.45002	1.1
121.06431	3.9
123.08054	3.3
137.02379	1.2
147.11673	5.6
165.12790	3.7
217.16019	2.6
233.11745	1.5
235.17096	2.5
253.16039	3.6
257.19235	2.8
261.18677	1.9
269.19138	2.1
285.18610	3.8
297.18600	4.5
311.23972	4.4
312.20792	2.2
327.23282	15.0
328.23697	1.8
367.14011	2.2
369.58551	1.5
381.27951	20.7
423.12729	9.9
425.27130	2.1
447.27979	2.0
465.29260	4.2
483.31213	100.0
484.31610	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	484.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59253	0.3
57.62215	0.4
59.01245	1.1
61.97285	1.4
61.98692	100.0
61.99961	1.8
68.18255	0.3
71.01237	0.5
71.04379	0.3
72.99165	19.3
73.02802	0.9
77.28249	0.3
81.03358	0.5
82.25646	0.3
85.02827	0.4
101.02310	0.8
125.02299	0.7
146.75163	0.4
161.04524	0.7
172.03645	0.4
186.63277	0.4
193.52750	0.4
246.05493	0.4
274.51450	0.3
303.12360	3.2
315.18021	0.7
316.18585	0.4
347.11542	0.9
421.11337	7.0
423.12967	0.8
424.13312	0.6
447.22412	3.3
448.22711	3.1
483.19919	7.4
484.20325	8.1
485.19583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89613	0.2
59.01244	0.8
61.97251	0.8
61.98694	100.0
61.99954	1.9
66.86699	0.3
71.01263	0.6
72.34850	0.2
72.99163	1.4
73.02795	0.7
75.00735	1.9
77.86468	0.3
99.00747	0.2
101.02305	0.3
109.02810	0.3
113.02306	0.2
147.04416	0.2
177.56870	0.3
186.06837	0.4
204.00896	0.2
227.52136	0.3
243.14088	0.5
263.12872	0.3
368.14420	0.5
421.11420	3.4
423.13071	1.6
424.13419	2.5
447.22290	1.2
448.22794	1.2
483.19833	1.2
484.11292	0.4
484.20493	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33691	0.2
57.03310	0.2
59.01247	1.4
61.97433	2.0
61.98694	100.0
62.00151	0.7
66.20838	0.2
71.01244	0.8
72.01592	0.2
73.02795	0.4
82.22347	0.2
82.94810	0.2
83.01203	0.2
83.26817	0.2
88.03929	0.2
89.02328	0.3
91.02725	0.2
101.02325	0.6
110.93761	0.2
113.02294	0.4
121.94718	0.2
131.03403	0.2
133.03896	0.2
139.73256	0.3
164.07210	0.2
173.04437	0.4
177.95641	0.3
279.19745	0.3
423.21512	0.8
424.21664	1.1
436.48312	0.3
484.18900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08111	1.2
57.03321	2.8
59.01239	1.9
66.70712	1.1
70.14030	1.3
73.02779	2.1
81.03307	2.7
83.01284	1.7
91.73319	2.5
92.02559	1.5
93.03326	2.3
96.95882	4.2
97.02840	3.3
99.04398	2.0
109.02815	7.6
121.02908	1.6
123.45898	1.5
125.02312	22.3
126.66473	1.4
130.82333	1.6
131.74164	1.4
133.02856	2.1
134.03665	2.2
135.04333	1.8
137.02307	15.5
145.02802	2.1
149.02290	2.6
153.01823	1.8
157.02759	1.4
158.03627	2.0
159.04430	4.6
161.02408	2.3
164.00981	2.8
165.01888	5.7
165.05463	2.1
167.03442	8.6
167.04610	1.4
171.04395	2.1
172.05144	1.8
173.02402	3.8
174.03195	2.1
174.14767	1.7
175.03941	2.2
176.01122	2.4
177.01854	3.4
177.05447	2.2
178.99792	2.5
185.02393	2.6
186.03197	3.1
187.03909	16.9
188.01111	2.2
188.04723	7.5
189.00252	3.4
189.01843	28.7
197.02365	4.0
198.03149	9.6
199.03972	5.9
201.01918	5.3
202.02681	4.5
203.03360	2.3
204.99881	3.2
211.03981	3.0
213.01871	7.7
214.02643	9.2
215.03453	19.5
216.00537	2.7
216.04329	3.1
225.01929	2.2
226.02818	1.9
227.03549	5.6
229.01302	7.6
230.02226	10.3
231.02991	2.8
239.07259	2.1
241.01462	4.2
241.05083	4.5
242.02203	5.7
243.02983	16.6
245.04404	2.7
253.05182	2.1
255.03011	2.1
259.02463	6.8
261.04095	2.8
267.06613	3.5
269.00949	5.1
271.02518	4.1
273.03979	3.3
275.05615	2.1
281.04581	2.1
285.03989	16.3
287.02185	2.2
287.05579	2.3
289.03583	3.2
292.87637	1.9
301.03571	7.4
303.05087	29.0
304.02219	7.1
309.00412	3.1
315.05078	9.3
317.03082	6.8
319.04550	2.4
339.05344	2.4
347.04333	5.4
355.08310	3.7
379.40530	1.8
391.04614	2.9
397.09085	7.7
423.07178	6.5
441.08237	12.4
461.06128	1.9
467.05997	2.3
485.07278	100.0
486.07898	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	485.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07637	2.0
57.03305	6.2
59.01238	3.8
71.01245	4.4
75.07489	2.1
75.86406	2.1
81.03287	3.7
83.01216	5.5
93.03319	3.6
95.04861	2.8
96.95248	5.4
96.95868	91.5
97.02816	3.4
100.17117	2.5
108.01996	3.4
109.02791	14.9
111.04369	3.5
113.84138	2.7
123.04359	4.1
125.02312	55.2
133.02832	3.1
135.04407	3.3
137.02327	22.3
139.03896	6.9
147.04411	3.0
149.02278	3.5
151.03877	5.1
159.04393	7.0
161.02364	5.3
163.00320	3.2
164.01060	3.7
165.01805	13.6
167.03395	13.4
174.03188	2.8
174.09071	3.1
175.03937	4.3
177.01872	6.3
177.05428	3.5
179.03368	10.0
183.48578	3.3
187.03931	17.9
188.01076	4.2
188.04752	6.9
189.01845	34.4
198.03120	7.7
199.03923	6.9
201.01917	6.8
202.02716	8.3
203.03477	7.2
211.03920	3.0
213.01840	5.6
214.02650	8.6
215.03455	19.8
216.04118	4.5
217.01346	4.1
219.06543	9.7
227.03510	7.3
229.01372	10.0
230.02112	10.4
232.74469	3.1
241.01401	5.1
241.04971	4.6
243.03004	17.6
259.02429	11.2
261.07928	3.7
267.06573	3.8
271.02530	3.9
285.03964	16.9
287.01901	4.0
289.07184	6.8
295.06021	3.6
301.03607	10.5
303.05045	24.0
305.03247	6.0
305.06699	56.4
315.05063	7.4
317.03076	13.3
319.04880	3.8
343.08072	3.4
347.03918	5.7
355.08353	3.5
381.06339	3.7
391.04510	3.1
397.09155	7.5
423.06906	4.8
426.60870	3.3
441.08072	12.4
485.07181	100.0
485.13354	5.3
486.07590	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	485.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05959	0.4
54.91460	0.5
57.03300	2.1
59.01235	1.4
61.98680	1.1
67.54491	0.5
67.87627	0.5
71.01225	2.3
73.01015	0.5
73.02804	1.1
81.03300	1.9
83.01243	2.7
85.02785	0.7
87.49704	0.6
89.02311	1.4
93.03315	2.2
95.01247	1.6
95.04872	1.8
96.95885	3.5
97.02785	3.2
99.00757	1.2
99.04337	0.7
107.04884	1.2
108.02044	2.9
109.02818	9.2
111.04395	3.7
111.51716	0.5
115.00222	1.5
119.04909	1.4
121.02026	0.6
121.02805	2.9
123.00716	4.2
123.04397	3.3
124.01521	2.6
125.02312	49.3
131.04915	1.0
135.04382	2.1
136.01579	0.5
137.02325	21.2
138.03127	3.3
139.03888	14.3
147.04350	1.3
149.02309	0.9
149.04472	1.2
149.05925	1.5
151.03906	3.9
153.01852	0.7
159.04381	2.0
161.02409	2.5
162.03114	1.6
163.03923	2.7
163.07394	0.6
164.01022	5.8
164.04395	0.6
165.01826	17.8
165.05453	1.5
166.02646	1.1
167.03386	14.1
173.05948	0.9
174.03116	0.6
175.03871	3.8
175.07590	0.6
176.04666	0.8
177.01837	5.2
177.05476	4.6
178.02563	0.8
179.03416	14.7
180.03854	0.5
189.05534	0.9
191.03358	1.1
191.07083	1.6
193.04984	0.8
200.04869	0.6
201.05464	0.9
203.03432	5.7
204.04141	2.7
204.99855	2.8
205.05016	1.1
215.07199	0.7
217.04993	1.7
218.05696	1.0
219.06584	10.9
221.04529	6.7
228.41560	0.6
233.08202	0.6
237.07613	0.9
243.06615	1.7
245.04597	0.7
245.08119	0.8
247.02423	0.6
257.04633	0.8
261.07693	3.2
287.05695	1.1
304.61002	0.6
305.06680	100.0
306.07034	4.2
317.10370	0.7
331.08319	3.1
343.08292	8.7
345.09763	0.6
485.07849	1.5
485.14566	6.9
491.58908	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33608	1.2
53.46812	1.0
54.92505	1.0
57.03316	3.2
59.01236	2.2
60.49335	1.1
63.69694	1.2
65.05085	1.0
71.01240	2.8
74.67912	1.0
81.03313	3.0
83.01247	2.7
88.03883	1.3
89.02297	2.4
93.03308	1.9
96.95872	7.5
97.02810	3.6
101.02283	1.7
108.02057	2.3
109.02831	10.6
109.68838	1.3
111.04372	4.5
121.02763	2.3
123.00767	2.7
123.04385	2.0
125.02313	48.0
135.04396	2.4
137.02315	19.3
138.03131	3.6
139.03865	12.5
142.99805	1.4
149.00400	1.5
149.05997	2.4
151.03896	4.1
158.36403	1.5
159.04391	1.5
161.02385	2.9
163.03999	2.8
164.01039	4.9
165.01837	15.6
165.05434	1.6
167.03423	13.7
173.05949	1.5
175.03877	5.4
177.01871	3.7
177.05470	5.7
178.02811	1.4
179.03423	12.0
197.05933	1.6
201.05461	1.6
203.03508	4.1
204.04218	2.7
205.05022	1.6
217.05028	1.5
219.06639	12.4
221.04538	5.8
243.06648	2.8
261.07761	2.5
293.16159	2.9
303.05127	1.6
305.06689	100.0
306.07059	4.0
331.08072	2.8
343.08194	7.1
345.10074	1.7
437.76254	1.7
485.07520	2.9
485.14584	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78876	0.2
57.03317	2.2
57.40012	0.2
59.01245	0.3
65.03819	0.2
67.01756	0.4
69.03319	0.8
71.01220	0.2
71.19874	0.2
81.03311	2.1
81.76841	0.2
83.01237	2.8
83.04900	0.5
91.05403	0.3
93.03315	1.5
95.01243	1.3
95.04867	1.7
96.95908	0.3
97.02811	2.9
97.06470	0.3
99.00733	0.2
99.04362	0.3
107.04887	0.9
108.02031	2.6
109.02815	8.6
111.04379	5.8
116.17402	0.2
117.03223	0.2
119.04906	0.9
121.02819	2.6
121.06466	0.6
123.00755	4.1
123.04383	2.2
124.01530	3.0
125.02316	53.1
125.06071	0.8
126.02683	0.8
131.04941	0.3
133.02866	0.5
133.06459	0.6
134.03645	0.6
135.04419	1.9
137.02325	21.1
138.03108	4.0
139.03889	14.4
140.04269	0.3
145.06555	0.4
147.04405	1.3
147.08063	0.3
147.54581	0.3
148.05151	0.3
149.02325	1.2
149.05968	2.3
151.03893	4.5
155.03300	0.4
158.03642	0.5
159.04413	1.5
160.05197	0.5
161.02347	3.0
161.05983	0.5
162.03108	1.4
163.03906	3.6
163.07570	0.8
164.01056	5.7
165.01840	18.4
165.05475	1.9
166.02602	1.9
167.03407	13.8
170.02115	0.5
173.05997	1.6
175.03900	4.3
175.07561	1.0
176.04706	1.2
177.01859	5.4
177.05469	4.2
178.02695	1.1
179.03416	14.3
180.04182	0.5
181.04985	0.6
187.03926	0.3
187.07599	0.4
189.01860	0.3
189.05507	0.8
190.02667	0.5
191.03409	1.5
191.07057	2.0
193.05016	0.8
199.03876	0.2
200.04752	0.3
201.05486	1.6
202.02612	0.3
203.03442	4.2
204.04172	3.0
205.05006	1.1
215.07144	0.8
217.05017	1.7
217.08403	0.2
218.05798	1.0
219.06589	13.7
220.06975	0.4
221.04517	7.7
222.04745	0.3
227.03342	0.3
229.05090	0.3
233.08147	0.7
237.07671	0.8
243.06508	1.5
245.04526	0.8
245.08221	0.3
247.02419	0.8
257.04480	0.3
260.06943	0.3
261.07684	4.0
263.05753	0.9
285.75305	0.2
287.05621	0.7
287.09250	0.5
299.09564	0.2
305.06693	100.0
305.20807	0.8
306.07083	2.8
317.10294	0.7
331.08255	3.1
343.08261	8.7
345.09821	0.8
347.11386	0.3
359.11465	0.5
361.09290	0.4
441.15591	0.5
485.07654	0.3
485.14529	6.0
486.14972	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56273	0.4
52.83217	0.4
55.01745	0.4
56.39429	0.3
57.03316	3.1
59.00086	0.4
59.01242	14.7
66.07453	0.4
69.03306	0.7
71.01237	17.9
72.99159	0.8
73.02803	7.8
75.00732	0.5
81.03312	2.6
83.01234	5.2
83.04878	0.6
85.02805	7.8
87.00737	1.2
89.02302	11.6
89.42064	1.2
89.42616	0.7
92.38326	0.4
93.03322	1.8
95.01232	1.9
95.04893	1.2
96.95873	2.1
97.02825	3.9
99.00742	5.5
101.01643	0.8
101.02304	16.8
107.04886	0.6
108.02008	2.7
109.02821	9.1
111.00724	0.6
111.04373	3.3
113.02302	9.2
113.05872	0.4
115.03879	1.3
119.03394	1.8
119.04904	0.8
121.02840	2.5
121.06527	0.6
123.00732	3.2
123.04375	2.2
124.01539	1.7
125.02310	51.3
131.03357	1.2
131.04924	0.6
131.10623	0.8
133.06465	0.8
135.04359	1.8
137.02321	19.4
138.03145	3.3
139.03885	12.4
143.03403	1.2
147.04404	1.4
149.02309	1.2
149.04440	1.5
149.05946	1.4
151.03882	3.8
153.01759	0.5
155.03267	0.6
159.02887	1.7
159.04352	1.3
161.02380	3.2
161.04451	7.9
161.05849	0.8
162.03094	1.3
163.03905	2.9
164.01050	5.5
165.01820	14.1
165.05476	1.5
166.02557	1.2
167.03397	13.8
173.05942	0.9
175.03909	4.3
175.07640	0.6
176.04697	1.1
177.01857	4.7
177.05415	4.3
178.02625	1.3
179.03410	13.4
189.05519	0.7
191.03415	1.7
191.05508	0.6
191.07082	1.2
193.04959	1.1
201.05606	1.4
203.03470	3.6
204.04211	2.4
204.99863	0.8
205.04967	1.3
215.07204	0.5
217.05069	1.7
219.06580	11.5
221.04546	6.8
233.06592	1.4
237.07623	0.5
241.05093	1.0
243.06671	1.7
245.04623	0.9
261.07681	3.2
263.05627	0.9
267.06512	0.6
285.04062	1.6
293.08862	1.6
293.16083	13.9
293.19336	1.0
299.94028	0.5
305.06683	100.0
306.07037	3.0
311.05658	1.0
317.10098	0.6
331.08307	3.6
343.08237	8.0
344.09021	0.5
345.09958	0.7
359.11700	0.6
425.20325	78.5
426.20859	1.5
485.08423	1.0
485.14862	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	485.1971
Annotation	Artelastochromene
Peak:m/z	Relative Intensity
59.01242	0.7
61.98686	2.0
87.11971	0.4
106.71371	0.5
208.93097	0.7
210.62430	0.5
243.42238	0.4
270.06863	0.7
285.09097	1.7
299.07245	0.6
312.07938	1.2
313.08719	7.6
314.09399	0.9
325.08932	0.6
325.72894	0.5
326.09479	0.6
327.10229	1.5
341.08386	0.7
341.15515	1.1
342.53839	0.5
353.15482	0.7
355.09760	0.9
355.13477	3.7
356.14209	6.2
369.14999	8.7
370.15735	7.8
383.12885	1.1
397.14435	1.7
398.15271	11.6
399.15659	0.6
403.13565	0.8
413.21219	19.6
414.21701	1.0
426.18262	0.6
430.14432	1.1
441.20737	100.0
442.21161	5.6
485.28275	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07969	0.9
51.37567	0.9
57.03297	1.9
58.02830	2.3
59.00078	1.8
59.01241	100.0
59.02528	1.5
61.26981	0.9
61.98688	2.1
67.40517	0.9
68.15022	0.8
70.35818	0.8
70.99717	1.1
71.01237	39.0
72.99160	2.5
73.01223	1.0
73.02804	47.1
73.37437	1.0
74.02324	4.7
75.00716	1.1
78.95770	1.1
82.02827	1.3
83.01235	10.2
85.02802	8.1
85.44869	0.9
86.02316	2.2
87.00745	1.9
89.02298	25.6
92.69713	0.8
94.98048	1.2
95.01233	2.2
95.56837	0.8
96.95868	16.5
96.96820	1.2
96.99740	1.2
97.02818	1.1
97.03963	1.3
98.95435	1.0
99.00760	1.4
99.04359	0.8
99.05507	7.0
99.08006	3.7
101.02296	40.8
102.05499	1.2
111.00767	1.2
111.04404	1.0
111.70708	0.9
113.02308	27.6
114.67189	0.9
119.03381	10.4
123.04411	4.8
123.05363	1.1
125.02290	2.5
126.03689	9.0
127.04982	1.3
128.03400	16.6
130.08597	1.1
131.03366	3.7
134.58839	1.0
137.02405	1.1
143.03380	4.7
143.04501	21.6
146.04482	2.6
149.04442	4.4
152.92740	0.9
153.06578	1.6
155.03352	2.5
161.04459	9.4
166.09737	2.7
167.08133	1.9
173.04420	1.5
179.04504	4.5
179.05626	3.2
181.06131	1.1
210.08698	5.3
218.05679	1.1
221.82101	1.0
224.90891	1.0
254.07774	10.3
272.08917	15.7
310.70728	1.3
311.11475	6.3
356.12823	2.7
367.23761	1.2
425.18268	4.4
441.16299	1.3
443.19540	2.2
449.11008	1.8
449.24310	2.2
467.15994	5.0
485.16699	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	485.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25545	0.1
52.23323	0.1
57.03309	0.1
58.00444	0.1
59.00068	0.2
59.01243	8.3
59.02531	0.1
61.81743	0.1
61.98690	0.2
63.88039	0.1
67.29742	0.1
70.99673	0.1
71.01238	4.0
72.99168	0.2
73.02805	1.1
75.53368	0.1
76.18388	0.1
76.35195	0.1
83.01239	0.6
83.04871	0.3
85.02805	1.1
87.00718	0.6
89.02296	4.0
91.03877	0.2
95.01244	0.3
97.02787	0.1
97.06443	0.1
97.97798	0.1
99.00730	0.3
101.02303	5.0
102.92554	0.1
103.03858	0.1
103.19141	0.1
113.02306	2.0
115.03817	0.2
119.02583	0.1
119.03358	1.2
125.02302	0.2
131.03340	0.2
133.04924	0.3
143.03349	0.4
145.02826	0.1
149.04390	0.1
157.04964	0.3
161.04445	1.6
177.16402	0.3
179.05518	0.6
205.19533	0.9
206.19884	0.1
229.15855	0.1
231.17509	1.0
235.08208	1.1
247.17058	0.4
249.08517	1.0
249.18588	100.0
250.18935	3.7
250.21609	0.2
252.98849	0.2
253.09285	14.6
254.09590	0.3
321.14578	0.1
337.13623	0.1
339.14804	0.2
431.24554	0.1
485.18878	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	485.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66582	0.1
55.01737	0.1
59.01241	7.1
59.02402	0.1
59.11940	0.1
60.81207	0.1
61.81737	0.2
61.93039	0.1
63.67477	0.1
65.19236	0.1
68.15623	0.1
69.03312	0.1
71.01239	3.4
72.41812	0.1
72.99172	0.1
73.02802	1.1
77.39521	0.1
79.61347	0.1
83.01226	0.6
83.04877	0.2
85.02808	1.1
86.94587	0.1
87.00745	0.4
89.02294	3.7
91.03880	0.2
95.01257	0.3
97.02818	0.1
97.06478	0.2
99.00741	0.3
101.02301	4.4
103.03870	0.1
113.02314	2.1
119.03366	1.0
131.03391	0.2
133.04958	0.3
143.03386	0.3
157.04933	0.2
161.04434	1.7
162.84528	0.1
177.16414	0.2
179.05632	0.7
205.19547	1.1
212.12589	0.1
224.96756	0.1
231.17566	0.9
235.08182	1.4
247.17001	0.4
249.07121	0.7
249.18582	100.0
249.28677	0.9
250.18927	3.3
253.09274	14.8
253.19505	0.2
254.09633	0.2
321.13885	0.1
323.15421	0.3
365.16458	0.3
378.88885	0.1
425.18567	0.3
431.68588	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	485.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17149	0.6
59.00969	1.1
59.01244	13.7
61.98697	3.8
64.14344	0.6
65.03813	3.6
68.90001	0.7
73.02818	1.0
78.95741	0.7
81.03307	4.7
81.30485	0.8
83.04871	11.6
91.19624	0.7
93.03313	90.3
93.05646	1.4
94.03643	1.3
95.01247	0.9
102.94002	1.1
108.43597	0.7
109.02793	1.1
111.04383	28.9
112.04693	0.9
114.95922	0.8
119.04942	1.2
121.49713	0.7
127.83013	0.8
129.16275	0.9
137.02322	75.8
137.06468	1.1
138.02711	1.6
145.02870	1.8
155.03389	100.0
155.08423	1.3
156.03738	1.8
163.03896	1.0
170.46156	1.0
269.21204	9.3
278.22144	0.8
287.22345	5.4
309.19196	0.9
329.23349	12.7
381.69531	0.8
485.27515	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	485.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51919	0.6
59.01242	7.4
59.77448	0.6
60.04770	0.6
61.98698	5.7
62.76575	0.8
65.03816	2.2
71.01238	2.3
75.02270	1.0
78.95758	2.8
81.03306	3.8
83.04874	14.3
93.03314	86.8
93.05690	1.7
94.03645	1.5
106.40028	0.7
109.02823	1.6
111.04379	46.9
112.04714	0.9
115.00269	0.9
119.04939	1.1
120.89244	0.7
137.02319	38.5
145.02820	2.3
155.03386	100.0
156.03699	1.5
192.05907	1.5
193.06035	1.0
269.21213	4.6
287.22360	1.8
307.17868	0.8
329.23325	11.9
378.99902	0.8
441.28488	1.0
485.30609	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53817	0.3
50.55713	0.3
58.04693	0.3
59.00972	0.5
59.01243	6.7
61.98685	2.3
65.03822	2.0
69.03301	0.9
71.01245	2.0
71.50163	0.5
74.30058	0.5
75.00746	0.5
75.02252	0.8
78.95766	1.2
81.03313	3.3
83.04882	12.2
85.99153	0.4
93.00983	1.4
93.03315	90.4
93.05924	0.9
94.03651	0.6
96.02020	0.7
96.95831	0.5
100.00130	0.5
102.93943	0.5
109.02808	1.6
111.01354	0.7
111.04379	47.3
111.07793	0.6
115.00198	0.7
117.03307	0.5
125.98264	0.5
127.03915	0.5
128.54611	0.4
137.02322	38.1
145.02827	1.5
154.98389	1.2
155.03391	100.0
156.03694	0.7
170.55791	0.5
175.02507	0.5
191.05542	1.1
269.21231	4.4
284.46616	0.5
287.22275	2.3
300.78717	0.5
329.23364	11.2
416.25507	0.5
464.46716	0.5
478.06042	0.5
485.23523	0.7
485.29953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.4
60.15693	0.1
61.97440	1.9
61.98693	100.0
62.00118	1.2
62.98413	0.2
64.33435	0.2
66.10181	0.1
72.99168	0.9
74.79298	0.1
79.00666	0.1
110.69718	0.2
115.90842	0.2
127.03947	0.4
128.12529	0.2
137.05902	0.2
145.02657	0.2
149.09608	0.3
158.07353	0.3
179.10722	0.2
182.43079	0.2
186.06808	0.5
209.32304	0.2
212.80670	0.2
215.14450	0.8
233.15550	0.4
243.13930	1.1
261.15118	0.4
287.12921	2.4
305.14084	0.3
349.12943	1.3
367.14001	6.9
368.14520	0.4
395.13745	0.3
423.12976	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	486.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22953	0.2
61.97257	1.0
61.98694	100.0
61.99946	1.9
62.41797	0.3
68.68529	0.2
69.03320	0.4
72.99177	0.8
74.36534	0.3
91.73383	0.6
93.34389	0.3
96.13535	0.2
97.02814	0.4
103.62634	0.3
113.02314	3.3
116.81698	0.3
125.02326	3.0
138.09665	0.3
159.29414	0.3
184.88905	0.3
207.74611	0.3
234.40471	0.3
238.70064	0.3
349.13242	0.3
367.14001	6.3
367.18265	0.5
368.14423	0.6
395.13565	0.9
423.12924	2.7
433.50391	0.4
486.12964	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95589	0.1
59.01247	0.3
61.97430	1.8
61.98693	100.0
62.00135	1.0
71.34481	0.1
72.70119	0.1
72.99142	0.1
73.02789	0.2
84.59883	0.1
107.08125	0.1
152.59976	0.1
370.14883	0.2
424.13565	0.2
425.13882	0.5
426.13895	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03287	0.2
59.01243	1.9
59.80402	0.2
61.97439	1.9
61.98694	100.0
62.00144	0.9
65.60001	0.2
70.82047	0.2
71.01241	0.9
72.99165	0.3
73.02810	0.5
83.01219	0.4
85.02829	0.4
88.37972	0.2
89.02314	0.5
89.34871	0.2
91.73358	0.3
96.95871	0.4
99.00825	0.2
101.02308	0.8
102.02645	0.3
113.02248	0.2
119.03407	0.2
119.04906	0.5
127.00265	0.6
163.03897	0.2
187.82585	0.2
189.00331	0.2
221.48482	0.2
243.13879	0.4
257.63492	0.2
287.12921	0.6
349.13025	0.3
363.27179	0.2
367.13934	1.9
398.47122	0.2
412.17050	0.2
423.12930	1.0
424.23239	0.2
425.22940	1.2
426.23380	1.2
486.12280	0.2
487.25540	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23519	2.2
50.54666	2.2
50.67631	2.2
59.01250	3.0
59.73748	2.5
61.98686	14.0
73.58636	2.2
76.63345	2.7
91.72767	5.8
93.25502	2.7
107.04904	8.3
119.04909	6.9
121.06487	10.8
133.06464	35.8
161.05978	60.8
161.07309	3.6
163.07568	9.1
177.05516	3.7
189.05560	3.7
205.03090	5.1
205.05002	100.0
207.06589	9.0
217.12314	8.2
223.29782	3.2
245.11823	4.9
279.13849	4.2
281.11871	7.3
322.47040	4.1
327.23404	3.9
363.19876	5.4
407.18369	4.0
456.81882	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	487.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94187	0.2
57.03322	0.3
58.02848	0.6
59.01248	2.2
67.02860	0.4
68.06974	0.2
71.01233	2.4
72.00766	0.3
72.04385	0.2
72.99162	0.5
73.02808	0.4
73.31486	0.2
74.02333	1.5
78.95747	0.2
82.02824	0.9
84.04401	3.2
85.02796	1.1
86.02338	0.6
87.00729	0.9
89.02296	2.5
93.03320	0.9
97.03909	0.8
98.02335	0.8
99.00715	0.3
99.05508	0.5
101.02293	2.3
101.07056	1.6
102.05463	9.6
102.61749	0.2
109.03932	6.4
109.27625	0.2
110.21021	0.3
111.04396	0.3
113.02333	0.6
115.00252	1.1
119.03365	1.0
125.03423	3.0
127.05005	17.7
128.03404	13.5
142.03749	0.2
144.02896	1.4
145.01352	5.8
145.06067	100.0
146.04472	27.7
146.06392	1.5
154.99725	0.6
159.85971	0.3
173.04510	0.9
175.02365	3.1
179.05450	1.2
191.05537	6.8
192.05843	1.4
195.12862	0.2
294.97125	0.3
313.11450	0.9
341.10870	5.5
409.62845	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2126
Annotation	Artelastin
Peak:m/z	Relative Intensity
58.26677	0.5
58.81572	0.6
61.98701	3.0
64.17170	0.5
64.26569	0.6
65.41977	0.5
66.60548	0.5
79.23975	0.5
97.67525	0.5
104.81013	0.7
143.94910	0.6
155.38142	0.6
199.93852	0.7
214.99712	0.7
247.07637	1.3
261.09152	1.3
267.06628	0.8
274.06250	0.8
275.07117	5.6
276.07849	3.2
289.08826	3.6
290.09268	1.5
291.10065	1.2
301.05365	0.8
302.05966	1.4
303.06705	7.2
303.10010	1.1
304.07373	4.4
305.08224	0.8
316.07404	1.4
317.08228	8.9
318.08923	2.5
319.09705	2.5
321.07492	1.1
327.06573	0.9
331.06262	1.3
331.09726	1.4
343.06180	0.7
344.06888	2.2
345.07690	5.6
345.11450	0.9
346.08334	1.4
359.09256	4.8
359.12720	1.1
360.09952	0.8
360.13791	1.5
373.10510	0.9
375.16132	2.2
387.12366	6.8
388.13239	10.5
401.14410	1.6
402.14880	1.5
403.15436	3.7
423.95822	0.7
459.21793	0.8
472.18997	1.3
487.21280	100.0
488.21838	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	487.2131
Annotation	Vardenafil
Peak:m/z	Relative Intensity
51.74825	2.5
55.57337	2.5
61.98685	10.5
62.02111	2.7
75.19938	2.9
80.67736	3.0
90.19045	2.6
243.10197	16.1
301.84686	3.1
309.41318	3.6
347.72314	5.4
429.13110	3.6
466.95651	3.5
487.21292	100.0
488.21637	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	487.2129
Annotation	Artelastin
Peak:m/z	Relative Intensity
51.85589	0.3
61.98698	1.0
82.51917	0.4
123.04435	0.5
163.07532	0.6
217.08734	1.3
236.08383	0.5
237.05569	0.5
246.08920	0.9
247.09724	1.0
250.08398	0.7
261.08939	0.4
263.07343	0.6
267.10217	0.4
267.13898	0.8
275.07254	0.7
276.07971	0.8
279.06732	0.8
279.13962	0.7
280.07703	0.5
289.08755	1.3
295.13110	0.5
300.08075	0.7
301.05008	0.6
301.08517	0.9
302.05804	0.8
303.10345	0.8
313.08829	0.6
314.09567	0.6
315.06589	1.2
315.10211	0.9
316.07306	2.3
317.08301	1.3
321.07709	0.7
329.04770	0.6
329.08252	0.7
330.05319	0.6
331.09735	1.1
332.14255	0.7
341.08148	0.8
342.09058	0.6
343.09747	0.7
343.13599	0.8
344.07031	1.2
345.07721	2.0
355.09897	0.5
357.14667	0.8
358.08377	0.9
359.09116	2.2
359.13083	0.8
360.09879	0.6
361.10773	0.6
373.14523	1.1
385.14664	1.2
387.12250	2.1
401.13959	2.6
402.14661	1.0
403.15469	1.7
411.12195	0.7
416.16656	0.7
427.15710	0.6
429.13486	3.5
430.14001	0.5
443.15063	1.7
444.15729	4.4
459.22012	2.9
469.20303	0.8
472.18967	1.1
487.21304	100.0
488.21539	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	487.2128
Annotation	Rubraflavone D
Peak:m/z	Relative Intensity
59.01231	0.7
61.98689	1.9
64.98475	0.5
67.29479	0.5
71.14220	0.6
75.46186	0.7
92.16058	0.7
92.65418	0.6
101.05950	0.6
104.90660	0.6
111.06857	0.7
147.79416	0.7
163.07651	1.2
221.06416	0.8
246.06830	0.7
247.07556	1.0
260.08383	1.2
261.09393	1.4
261.83606	0.7
266.09583	1.4
273.09317	0.8
275.07187	1.9
276.08087	1.3
278.05643	0.8
279.06631	0.9
287.10767	0.8
288.08099	1.6
289.08707	5.8
290.09381	3.1
298.10205	0.7
300.08231	0.8
301.08630	1.5
302.05887	4.1
303.06497	3.2
303.10236	2.7
304.07285	1.4
315.10242	1.1
316.07367	5.1
317.08240	8.0
318.08881	3.0
321.11224	0.9
329.08194	0.8
331.09753	1.6
332.14200	1.6
333.14969	2.2
341.08057	1.2
343.06039	1.1
345.07904	1.0
345.14966	1.0
346.15811	1.3
352.08246	0.8
357.15039	0.8
358.15692	1.4
359.12781	1.4
359.16528	2.2
360.13705	7.0
373.14584	1.3
374.15219	5.0
375.15884	5.0
385.14517	1.7
387.08438	0.8
387.12372	6.4
388.13013	1.9
401.13943	6.7
402.14642	7.0
403.15601	5.2
404.16135	0.8
430.14505	1.0
431.22635	1.0
441.20795	1.8
443.22672	0.8
459.21786	17.5
460.22119	0.9
469.20047	1.8
469.37973	0.8
487.21289	100.0
488.21472	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	487.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.2
59.01242	100.0
61.98697	10.5
68.66328	3.2
69.03311	4.9
71.01237	16.5
73.02799	43.7
75.49686	3.1
85.02802	12.0
89.02296	10.6
101.02322	16.4
103.91010	3.9
113.02297	8.9
125.05918	4.2
143.03410	5.5
143.07079	4.5
144.20174	3.7
161.04344	8.5
175.02449	4.2
186.40250	4.5
189.70630	4.1
208.04710	4.3
283.15540	6.8
300.02841	5.9
303.70441	4.7
305.76477	5.0
309.31015	4.4
427.19827	34.6
435.44708	5.2
445.20956	17.4
487.26160	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20737	0.3
50.66417	0.4
53.15498	0.4
54.53320	0.4
58.00467	0.5
59.00124	1.7
59.01241	100.0
59.02529	1.4
60.01592	0.7
61.98696	5.9
69.03332	0.4
70.99753	0.5
71.01238	25.3
71.02904	0.4
72.99167	0.9
73.02797	3.5
77.05968	0.4
81.53796	0.5
83.01241	0.8
83.04937	0.4
85.02811	3.9
87.00728	2.2
88.45518	0.4
89.02296	43.5
91.72745	1.2
91.73364	1.1
95.01248	1.0
96.95895	0.7
97.02841	0.7
99.00742	0.6
101.02299	16.5
113.02308	12.3
119.03369	16.9
125.02346	0.8
131.03418	1.9
137.27194	0.4
143.03381	4.6
149.04436	2.1
161.04451	7.6
161.05638	0.7
173.04491	0.8
175.02437	1.0
179.05531	18.5
247.13599	0.7
427.19742	6.8
429.85706	0.5
434.51736	0.5
445.21066	0.8
451.22021	0.9
487.25803	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	487.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24706	0.3
57.03321	0.5
57.37657	0.2
59.00077	1.9
59.01243	100.0
59.02589	0.9
60.01572	0.5
61.97430	0.5
61.98694	22.8
62.98401	0.6
67.01757	0.6
68.42910	0.2
71.01241	10.2
72.99181	0.4
73.02806	3.6
78.91731	0.4
83.01237	1.7
85.02809	5.0
87.00741	0.2
89.02296	2.3
92.30894	0.2
95.01250	0.9
96.95918	0.3
99.00715	1.3
101.02303	8.4
101.02950	0.5
109.02864	0.3
113.02309	5.1
119.03369	0.6
125.02354	0.6
129.01866	0.3
143.03383	0.6
149.47368	0.4
153.12767	1.2
159.02885	1.3
161.04456	8.8
197.76851	0.3
200.35277	0.2
265.14417	2.1
368.14523	0.9
418.49112	0.3
427.19769	24.2
428.20325	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43243	1.0
56.29774	0.9
59.01252	1.6
59.16824	0.9
64.67977	0.9
68.93484	0.9
99.92434	2.3
106.04146	1.4
116.92713	7.1
119.04930	2.5
121.02854	3.1
122.89357	2.0
141.12755	3.1
155.52794	1.4
163.04063	1.3
189.12889	2.1
191.14331	8.0
219.13852	37.0
219.98351	1.3
224.94191	1.2
231.17560	2.3
241.12267	2.7
257.11572	2.4
260.99164	1.4
276.88461	1.1
285.11078	2.9
331.07281	1.2
331.26398	5.3
359.25980	5.9
361.27570	13.9
387.25134	2.5
389.26306	2.1
405.26489	100.0
406.26810	5.4
407.14511	4.4
425.15372	2.7
427.24713	14.3
451.13254	13.9
452.13919	3.3
469.16980	1.9
471.24490	1.9
487.09958	1.4
487.17987	2.8
496.85556	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65485	0.6
55.79087	0.6
56.09507	0.5
59.01239	1.4
60.39960	0.6
61.98693	2.5
67.01752	0.9
68.56604	0.6
69.03307	1.0
69.68629	0.6
71.40060	0.7
78.09461	0.8
79.01799	0.7
80.02544	1.5
81.03316	4.4
82.22736	0.6
95.01236	1.8
107.01257	1.7
108.02032	23.3
109.02814	12.4
111.00746	2.0
123.00747	2.3
124.01543	1.3
125.02326	4.1
151.00255	14.4
151.96136	1.3
152.01041	100.0
153.01834	21.6
154.28145	0.8
159.30325	0.7
182.07634	0.7
201.05576	2.1
223.73737	0.7
244.11049	2.1
335.26019	1.4
425.26917	4.3
443.28064	19.1
444.28854	1.0
487.20963	2.2
487.27512	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	487.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69168	0.7
55.87725	0.8
60.59567	0.7
61.98687	2.6
65.99707	4.0
67.01735	3.3
68.99657	1.3
69.03309	2.2
75.74496	0.7
77.89878	0.8
77.99953	0.8
79.01747	2.6
80.67989	0.8
80.93562	0.8
81.03313	21.6
81.05403	0.8
91.73415	1.0
95.01239	7.1
97.02798	1.6
107.01254	10.2
108.02042	8.1
109.02818	3.8
117.81468	0.8
121.02809	1.6
122.89550	0.9
123.00747	9.8
125.02319	24.3
125.03230	1.4
151.00253	100.0
152.01035	14.8
153.01813	3.9
251.07286	1.0
263.86832	0.8
299.71524	0.9
425.27115	1.4
443.28021	1.4
462.99161	1.0
487.21048	3.7
487.27084	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	487.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55676	0.2
57.99234	0.2
59.00969	0.4
59.01239	5.0
61.98697	0.4
71.01240	2.6
73.02803	0.7
74.59536	0.3
75.00726	2.3
77.20638	0.3
78.95756	0.5
79.97009	0.3
83.01234	0.3
85.02818	0.6
86.83278	0.3
87.00742	0.3
89.02308	2.5
101.02304	3.4
113.02286	1.7
117.03328	0.5
119.03352	0.9
119.04880	1.8
119.36330	0.3
121.02822	0.5
123.22150	0.3
133.02722	0.3
133.04956	0.4
134.03577	0.5
135.04288	0.3
143.03401	0.5
145.02841	2.4
152.99525	0.5
157.93260	0.4
161.02354	0.4
161.04436	1.4
163.03879	0.7
179.05515	0.6
233.19084	0.9
235.08179	1.0
239.94414	0.3
251.20157	100.0
252.20604	1.7
253.09273	12.4
361.27881	0.4
405.26495	1.0
415.24969	5.5
431.24423	2.3
433.25748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50942	0.5
52.96345	0.6
54.64891	0.8
56.69368	0.7
59.01242	18.6
60.54339	0.9
61.97461	0.9
61.98695	63.5
62.00031	1.2
62.90122	0.5
63.51331	0.6
63.99108	1.1
71.01233	8.2
71.04869	1.6
72.99165	12.6
73.02795	0.9
73.37372	0.7
74.25653	0.7
89.02291	2.3
90.02636	0.9
101.02296	2.2
109.02784	1.0
111.04355	1.6
111.07963	0.8
113.02281	2.6
114.10206	0.8
119.03363	1.1
123.08020	1.4
125.02302	2.5
135.04404	0.9
138.03073	2.2
139.03897	2.6
141.01797	1.0
145.31027	0.7
148.05145	1.4
149.02318	2.2
149.05966	33.9
149.09656	1.2
151.03912	2.0
155.07033	2.0
156.07516	1.0
159.04443	1.3
162.03069	0.8
164.00998	1.0
165.01941	1.1
166.02614	2.4
167.03410	1.2
177.05489	45.7
177.12834	2.1
178.05933	1.1
179.10664	1.2
184.36032	1.7
193.04977	5.6
195.06537	2.2
199.26692	0.8
211.06047	1.6
217.12276	1.6
217.15964	2.6
233.11783	1.1
233.15408	2.8
235.16920	1.1
239.05553	6.4
245.11870	2.6
245.15479	3.4
247.13306	0.9
261.14993	3.0
263.16513	1.0
277.14459	1.7
279.16049	3.1
289.14456	5.5
305.13974	12.1
307.15512	5.3
316.67651	0.7
320.20593	0.8
323.15024	3.5
333.13556	2.2
351.14517	100.0
352.14771	3.7
425.14587	35.8
426.14719	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70140	0.2
55.94167	0.2
57.67574	0.2
59.01239	0.7
66.78733	0.3
71.01237	0.7
72.00755	0.4
74.02314	0.4
78.95757	0.3
84.04394	0.5
85.02794	0.8
87.00726	0.7
89.02292	0.6
96.96821	0.5
101.02282	0.7
102.05471	35.9
102.08150	0.5
109.03965	0.8
115.00237	0.6
116.15260	0.3
125.03469	0.5
127.05003	2.5
128.03410	27.4
128.05385	0.9
129.03778	0.4
143.87045	0.3
145.01309	0.8
145.06070	13.5
146.04480	100.0
146.06396	4.5
146.09114	1.2
147.02864	0.7
147.04829	1.1
147.06551	0.4
154.09120	0.3
168.13701	0.3
175.02409	1.2
176.02748	0.4
191.05595	0.6
206.74461	0.3
226.07085	0.3
240.74211	0.3
262.61386	0.3
310.46808	0.3
312.03760	0.6
341.11047	0.9
342.11081	0.5
353.79623	0.3
373.94968	0.3
425.01370	0.3
439.69183	0.3
481.40933	0.4
514.17889	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	10.1
58.05198	2.8
59.01242	37.5
61.98701	5.8
64.91881	2.9
70.02843	19.4
71.01226	17.6
72.00796	5.4
72.99184	5.0
73.02805	7.1
74.02354	5.9
75.00736	60.4
75.01122	4.2
78.95767	5.8
83.01254	7.2
85.02809	8.7
86.02333	27.5
87.00730	79.2
98.02367	14.2
98.99500	8.6
99.00771	13.4
100.00298	12.5
100.03916	19.5
101.02326	7.6
103.00232	44.3
103.00854	3.5
111.00781	7.1
112.00332	3.7
112.03919	4.0
115.58698	3.6
116.03464	3.9
117.01829	5.5
119.04971	5.9
126.01975	3.9
128.15721	3.4
129.01814	48.4
145.02855	7.9
147.02892	18.1
152.99576	7.1
172.23590	3.5
201.67680	4.3
205.80791	4.1
223.13739	3.9
248.23857	5.2
253.21825	15.1
266.24670	5.6
278.25027	15.6
282.24518	10.0
284.37973	3.8
296.26083	10.2
306.24603	5.1
310.23856	53.4
314.27136	15.8
322.23938	4.4
323.86877	4.1
340.24988	54.0
342.26633	15.1
352.24954	10.4
354.26678	14.3
370.26105	38.1
371.26926	4.0
372.27560	77.7
372.32101	5.8
373.28271	6.0
400.27048	55.4
410.25476	17.8
412.27319	7.0
416.26740	8.4
426.28891	8.0
428.26620	100.0
464.15765	4.4
488.28787	44.7
488.35895	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	489.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.1
61.98705	0.7
71.01252	2.3
72.99179	1.2
73.02821	1.8
79.95601	1.5
80.96387	1.6
83.04864	0.7
87.00729	5.0
87.94462	0.6
89.02296	1.0
91.72705	0.9
93.03337	1.1
96.93433	1.3
96.95872	76.2
96.98624	0.9
99.00741	0.8
101.02324	2.5
109.02818	1.4
110.22074	1.0
111.00741	0.9
113.02309	1.3
125.02350	0.7
147.04352	1.3
153.01866	0.9
158.03630	3.2
159.04411	21.5
159.05696	1.4
170.25372	0.8
173.04454	1.1
202.02753	0.9
203.03452	20.1
220.87323	0.9
241.00218	100.0
242.00549	1.0
246.01706	2.2
247.02480	30.8
250.77428	0.8
267.06662	1.1
296.47342	0.8
298.19092	0.9
305.06500	0.8
327.08710	4.2
373.06412	0.9
409.07736	7.4
445.04547	2.2
489.03464	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01223	0.6
61.98682	0.6
64.33064	0.3
67.36877	0.3
67.39091	0.2
70.53659	0.3
73.63522	0.6
73.63892	0.4
77.38456	0.3
77.83659	0.3
80.84999	0.3
81.15897	0.4
91.72765	0.6
97.79883	0.3
108.02043	0.4
109.02812	2.7
117.03289	0.5
129.03214	0.3
133.02858	2.8
134.03630	0.5
135.00653	0.4
135.04388	17.9
145.02829	3.7
146.03593	1.0
147.04387	1.7
148.01717	0.3
153.01727	0.3
157.02849	0.4
158.03671	0.4
159.04417	0.4
161.02295	0.7
163.03897	2.0
165.05550	0.4
165.06995	0.6
167.04895	0.6
169.06459	0.6
173.02361	2.1
174.03149	0.6
179.03416	12.5
180.05746	1.2
181.06503	2.6
183.04466	0.7
191.04901	0.7
193.06525	1.2
195.04468	1.0
196.05128	0.6
197.06055	1.6
198.06766	0.7
200.01085	0.8
207.04427	0.8
208.05261	2.4
209.06020	9.1
211.03908	1.1
211.07672	0.3
219.04462	2.4
220.05220	1.0
221.06012	1.6
223.04073	0.3
224.04875	1.4
225.05527	3.8
226.06279	0.7
235.03946	1.9
236.04767	2.2
236.46638	0.3
237.05563	18.2
238.06105	0.8
239.03362	0.5
247.04015	1.9
247.09613	0.3
248.04713	1.9
249.05502	0.6
250.06203	0.5
252.04103	0.6
253.05061	9.0
254.05742	0.8
255.06596	0.3
263.03506	3.1
264.04291	2.7
265.05069	11.9
266.05795	2.2
267.03125	0.6
267.06656	2.0
279.03006	0.4
281.04559	34.9
282.05151	2.0
283.06094	1.0
291.03027	1.1
292.03830	0.8
293.04529	0.6
308.03293	0.4
308.90527	0.9
309.04056	100.0
309.19504	0.8
310.04773	18.9
311.05618	10.8
312.05777	0.4
489.08359	0.7
489.26877	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	489.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87546	0.3
59.01229	1.3
61.98680	1.6
63.99118	0.4
71.01231	0.5
73.63514	0.6
77.38450	0.5
80.91528	0.6
89.17635	0.4
91.58473	0.5
93.03319	0.7
96.95858	1.5
98.06734	0.4
106.27354	0.4
106.53214	0.5
109.02815	3.9
112.64561	0.5
113.02321	0.4
117.03263	0.4
121.02807	0.7
133.02824	6.3
134.03580	0.8
135.04390	17.9
137.02335	0.8
145.02809	4.0
146.03619	0.9
147.04381	1.8
149.05898	0.5
153.01793	0.9
158.03685	0.6
159.04420	0.4
161.02350	1.6
163.03928	2.6
165.05481	1.2
165.06892	0.6
169.06525	0.6
173.02351	1.8
174.03094	1.4
179.03419	11.2
180.05714	1.3
181.06534	2.6
191.05034	1.0
193.06508	1.1
195.04471	0.5
196.05177	0.9
197.06003	2.3
198.06636	0.6
200.01112	0.7
204.99814	0.7
207.04509	1.0
208.05150	2.4
209.04239	0.7
209.06032	8.1
211.03967	1.5
211.07686	0.6
219.04489	2.2
220.05171	0.6
221.06099	1.6
223.04095	0.6
224.04745	1.9
225.05550	4.1
226.06178	0.7
235.03984	2.0
236.04831	2.3
237.05539	15.9
238.06325	0.7
239.07048	0.8
247.04050	1.7
248.04735	1.5
249.05434	0.9
250.06343	1.8
251.03395	0.5
252.04224	1.4
253.05014	10.4
255.06650	0.5
263.03479	2.3
264.04120	2.6
265.05045	14.4
266.05826	3.2
267.06622	3.4
281.04556	34.8
282.05112	2.0
283.06143	2.1
291.03030	1.1
293.04364	0.8
309.04050	100.0
310.04785	21.7
311.05597	22.7
409.89801	0.6
488.15906	0.6
496.47015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.0
59.01243	11.6
67.91589	0.7
71.01238	7.3
73.02823	3.7
76.30841	1.5
81.59241	0.7
83.01263	1.9
83.62099	0.8
85.02807	3.8
89.02324	2.5
90.25780	0.7
96.95916	1.4
99.00745	1.1
101.02317	7.5
108.02093	1.9
109.02811	23.5
113.02302	4.0
117.16463	0.7
119.04955	1.0
121.02856	2.3
123.04391	1.8
125.02321	1.1
131.04942	1.0
133.02887	3.1
133.57677	0.8
134.03616	1.5
135.04401	12.3
136.09056	0.9
143.04898	1.0
145.02852	2.0
146.03656	2.1
147.04364	5.6
158.03670	0.9
159.04442	8.2
161.02406	2.4
161.04529	4.7
161.06041	4.4
167.05045	1.2
171.04570	0.9
173.02408	2.6
173.05991	0.9
175.03882	5.5
180.05719	0.9
181.06628	1.1
182.03650	1.2
183.04414	4.6
185.06093	2.0
189.01906	2.2
190.02611	7.4
191.03474	1.3
195.04431	1.4
196.05290	3.0
197.06073	3.1
199.03989	1.6
203.03407	4.3
205.05037	2.0
207.04488	3.7
208.05260	1.4
209.06049	5.8
211.03940	13.8
212.04747	9.5
213.05424	4.7
219.04547	1.5
221.06111	2.5
222.06906	1.9
223.04065	1.5
223.07668	2.5
224.04765	4.9
225.05554	12.9
226.02783	1.1
226.06386	1.4
227.03435	5.6
233.06012	9.3
234.06906	1.5
235.03995	10.9
235.07745	3.5
236.04732	6.0
237.05522	10.5
238.06282	2.9
239.03505	11.8
240.04265	81.1
241.05026	23.0
245.06032	1.3
246.06860	1.4
247.02344	7.3
247.07834	1.6
248.04781	5.1
249.05547	12.2
250.06374	3.3
251.03519	15.3
251.07104	8.0
252.04239	6.0
253.01212	2.4
253.05061	61.3
254.05794	9.5
255.06619	12.3
261.05597	17.2
262.06274	4.1
263.03699	1.9
263.07233	6.7
264.04291	11.8
265.05066	30.6
265.07895	1.5
266.03046	1.3
266.05804	7.1
267.06555	1.7
273.05725	2.1
274.06540	2.2
275.07272	1.7
277.05078	26.7
278.05832	17.4
279.03485	2.0
279.06622	36.8
280.07013	1.1
281.04636	1.4
283.08600	1.2
283.11807	9.4
287.07404	1.0
288.08029	1.1
290.06009	3.1
291.06656	19.8
292.07516	2.6
293.04575	2.2
297.04034	24.0
298.04727	7.1
299.05359	1.6
299.10864	1.8
301.08792	2.2
309.04205	1.2
310.04892	1.9
312.08002	1.3
313.08755	2.0
315.06812	1.6
317.08203	1.0
323.05789	1.2
325.08731	1.4
327.06940	1.3
327.10550	2.4
329.08221	3.8
330.09161	1.7
331.09747	1.1
335.05942	1.1
337.08783	2.0
339.06827	1.8
340.07147	1.6
341.08344	1.7
343.09747	1.4
344.10709	0.9
345.11414	3.6
346.08527	1.0
353.08414	1.5
354.09262	1.0
355.05951	1.3
355.09769	7.5
357.07822	3.3
357.11655	1.9
358.08469	2.2
359.09296	0.9
365.08215	1.6
367.06015	1.1
369.07874	2.6
371.09195	1.9
372.42358	1.0
373.10831	14.1
382.08630	1.2
383.09320	13.3
384.10287	1.3
385.07196	6.1
386.08002	4.2
399.08762	6.5
400.09589	1.2
401.10391	100.0
402.10876	4.1
427.08313	2.2
429.06735	1.3
429.17661	16.1
445.09464	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	489.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78708	1.0
51.95591	1.1
53.49652	1.0
59.01243	27.0
61.98689	13.1
63.99124	1.7
71.01243	5.5
72.99169	20.9
73.02805	1.4
75.97676	1.1
80.91547	6.7
85.02814	2.1
89.02293	5.9
96.95856	1.6
97.02766	2.9
101.02291	3.0
108.02045	2.9
109.02813	47.3
111.04350	1.3
113.02315	2.8
115.62559	1.4
119.03378	2.4
121.02824	3.5
123.04381	1.6
132.02080	1.3
133.02846	2.9
135.04411	4.1
137.71989	1.1
137.88585	1.3
143.04906	1.9
145.02856	2.5
149.05931	2.5
153.01756	1.3
159.04405	6.5
160.01465	1.3
161.02396	3.4
163.03940	2.8
171.04451	2.4
173.02406	2.6
173.05992	1.7
174.06818	1.7
179.03354	1.7
179.05495	3.3
179.14342	1.9
180.07848	1.9
183.04460	3.5
185.05988	2.0
186.03035	1.7
186.06807	5.2
187.03928	3.7
189.09160	2.0
191.21066	1.2
197.06134	1.2
198.03198	1.6
198.06941	1.4
199.03951	3.2
201.05496	4.6
202.06310	4.0
205.08650	1.7
209.05998	2.1
213.01888	3.0
214.02609	2.2
214.06313	2.4
215.14449	3.1
217.06645	1.8
221.06105	3.1
223.07715	1.5
224.04771	1.4
225.05611	1.7
226.02702	9.3
227.03452	11.6
227.14432	1.6
229.12358	1.3
230.05750	6.3
231.06714	1.4
231.13702	1.3
233.06017	4.3
233.11775	2.8
234.06744	1.4
235.07603	3.9
237.05583	3.6
239.03549	2.5
239.07036	1.6
241.05171	2.0
243.13918	12.7
245.06065	1.7
246.07051	1.9
247.07556	1.6
248.04848	3.3
249.05649	4.9
251.07198	4.5
253.05095	3.1
255.06653	1.6
259.13541	6.3
261.05554	9.9
262.06342	4.6
263.07056	7.8
264.04260	1.5
265.05148	4.1
267.06638	5.4
267.16153	1.6
269.11905	2.7
271.13376	2.9
274.06369	4.8
276.04208	2.1
277.05127	9.4
278.05887	5.7
279.06635	13.4
280.07269	2.0
281.04721	1.5
287.12949	5.7
289.05124	5.6
289.14465	2.1
290.05902	8.4
291.06647	40.8
291.12170	2.3
292.03964	2.5
292.07233	3.5
293.04688	7.9
295.06000	7.6
303.12515	3.1
305.04568	4.4
305.14102	2.0
306.05280	2.7
307.06042	10.7
307.15768	1.8
309.04260	2.5
309.07852	3.4
311.05563	8.8
315.12247	1.5
317.04639	3.3
318.05475	3.0
319.06311	1.5
321.04083	3.9
321.13773	1.5
322.05069	2.4
323.05618	16.4
331.11990	3.3
333.13397	2.4
335.05637	69.8
336.06491	8.8
337.07227	2.1
349.12924	1.8
351.14502	12.4
355.09622	1.8
363.14441	1.9
373.12866	3.4
375.10736	3.1
379.13977	2.6
383.09198	4.4
399.08261	1.6
401.10229	17.8
407.13586	2.4
419.09830	8.8
421.11438	100.0
422.11700	2.0
427.08282	3.4
428.20224	3.1
429.20135	1.7
439.12457	4.4
445.09314	59.7
446.09692	4.1
457.08810	2.1
472.83893	1.5
489.11707	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	489.1039
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
52.23983	0.3
55.03793	0.3
55.10434	0.4
59.01243	17.6
60.10478	0.7
61.98682	1.1
73.02794	0.9
75.79016	0.4
80.31329	0.5
80.98920	0.4
85.02782	1.0
85.53809	0.3
85.99437	0.8
85.99886	0.8
87.00732	0.5
89.02294	2.2
91.66281	0.4
93.03340	0.4
96.95877	1.1
98.41219	0.4
101.02307	2.2
107.01252	1.0
113.02299	1.3
119.03349	1.3
125.02348	0.4
135.00822	0.5
137.06244	0.5
142.50279	0.4
151.00285	1.9
153.01727	0.6
155.04829	0.4
161.04456	1.0
163.00267	0.5
163.09752	0.4
171.04364	0.5
173.04472	1.1
178.88452	0.4
179.05515	0.5
183.04446	2.0
187.03961	0.7
211.03946	2.1
212.04730	0.5
227.03458	82.0
228.03824	2.6
229.04961	1.6
239.03520	0.7
241.05099	0.7
255.02980	98.1
256.03662	9.8
257.04471	1.9
284.03275	69.8
285.04037	28.1
286.04443	0.8
315.18118	0.6
327.05051	1.5
429.20938	2.2
489.10403	100.0
490.10516	5.3
501.23889	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.1
59.01242	4.9
61.98681	0.6
68.99667	0.8
69.03305	0.6
71.01231	1.0
72.99158	2.2
73.02816	0.6
73.71272	0.5
80.02515	0.5
81.03313	0.4
83.54543	0.5
85.02811	0.7
87.04375	1.5
93.03339	2.6
95.04877	0.7
97.02824	3.6
99.07997	1.1
101.02336	0.5
101.05909	0.8
104.26459	0.5
106.34505	0.4
107.04877	1.0
107.30154	0.6
107.30775	0.5
109.02815	3.8
110.99679	1.1
111.00425	1.0
111.04379	2.0
112.01528	0.8
113.02306	2.6
121.02804	0.7
121.10059	2.4
122.03631	0.7
123.04400	1.3
125.02312	1.5
127.03854	2.3
129.43668	0.6
132.02054	1.2
135.04372	4.8
137.02327	4.5
137.09593	1.1
139.03854	1.7
141.09125	1.1
145.06471	0.7
145.10025	0.9
147.04387	3.0
149.02315	0.7
149.05920	0.9
149.09593	2.3
150.03096	2.1
151.03929	1.0
151.07541	0.7
151.11172	1.2
153.09090	1.5
155.03395	3.4
157.06541	0.7
159.04382	1.8
161.02336	0.7
161.05940	0.8
161.09612	1.8
163.00204	0.8
163.03880	2.7
163.11179	0.5
165.05470	1.3
165.09100	1.4
167.10696	4.3
169.01259	0.6
169.04951	10.8
169.08566	0.6
172.05194	0.9
173.02315	1.1
173.04462	3.9
173.05882	1.1
174.03035	0.6
174.06770	3.1
175.03923	2.0
175.07477	1.0
177.01898	1.3
177.03383	0.5
177.05460	1.2
177.09114	0.9
178.02617	2.0
179.03345	0.9
179.10696	1.4
181.08585	0.6
184.05103	1.5
185.06073	0.9
186.06779	1.2
187.03922	1.9
187.05951	0.6
187.07518	0.9
188.04684	0.7
189.02002	0.6
189.05531	1.2
189.09073	2.1
191.03401	1.4
191.10745	0.9
195.10223	0.9
200.04747	1.5
201.01822	1.4
201.05504	1.7
201.09109	0.6
201.12749	1.3
202.06242	3.4
202.10010	2.5
203.03471	1.3
203.07060	0.7
204.04143	0.6
205.05074	0.7
205.08633	2.4
206.02040	1.0
207.10204	4.5
211.03963	0.7
212.04720	1.2
213.12794	2.3
214.10007	0.6
215.03415	1.6
215.07047	3.5
215.14378	1.9
216.07742	0.6
217.01436	0.8
217.08626	1.5
219.03017	1.5
219.06598	0.6
219.10205	0.7
223.09778	1.3
226.09961	0.9
227.03278	0.8
228.04245	2.3
229.04953	1.6
229.12309	5.0
230.05869	3.1
230.09425	8.5
231.13855	10.2
231.36757	0.5
232.07335	0.6
232.14072	0.6
233.15503	0.8
234.08983	0.8
235.09608	3.0
237.11288	0.7
239.05560	1.8
241.12331	3.8
243.13884	3.4
246.05298	1.1
248.10527	0.6
249.14966	1.2
251.09232	3.8
253.10823	3.4
256.03790	0.8
257.11682	2.7
258.01895	1.0
259.13425	5.9
260.06876	2.4
261.07806	0.7
261.14911	0.9
264.06281	0.6
267.15906	0.8
269.11768	2.8
273.14923	1.1
275.12888	1.7
277.14523	1.4
285.11392	3.3
287.12924	10.4
288.06610	1.1
289.14508	3.5
291.05057	3.2
300.02884	0.6
301.10699	0.6
303.12573	4.1
305.13959	6.6
307.08286	1.3
313.10831	1.5
315.12369	0.8
317.13925	13.7
320.09036	4.4
321.13303	1.2
329.10461	0.9
331.11874	6.6
335.15076	11.4
335.24728	0.6
345.13382	2.1
349.12952	9.5
357.09705	2.1
359.11334	0.8
361.12933	1.0
363.14529	18.9
364.15002	0.9
375.10876	13.3
376.11133	0.9
377.12582	1.0
379.13995	0.7
389.12265	4.2
393.11917	27.1
394.12393	1.6
403.10477	2.7
407.13495	36.7
408.13855	1.7
421.11526	1.6
425.14478	0.9
435.12979	60.8
436.13309	3.2
453.14041	100.0
454.14490	5.6
489.10373	0.8
489.26797	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.8
59.01241	6.3
60.42010	0.3
61.98685	0.9
68.99687	0.4
69.03297	0.9
70.41215	0.4
71.01234	1.5
72.99174	2.5
83.01236	0.5
83.04864	1.0
84.02032	0.4
85.02851	0.6
87.04351	1.5
89.02280	0.8
91.05405	0.5
93.03304	2.6
95.01199	0.4
95.04836	0.7
97.02805	4.3
99.08006	0.7
101.02283	0.8
101.05925	0.8
107.04865	1.0
107.30147	0.5
107.30759	0.5
108.02065	0.7
109.02806	2.5
109.47590	0.4
110.99609	0.9
111.00407	0.8
111.04385	1.6
112.01488	0.5
113.02299	2.2
119.03300	0.4
119.04863	0.5
121.02806	1.1
121.10126	2.6
122.03625	0.4
123.04391	0.5
124.01538	0.4
125.02282	1.2
127.03892	1.9
132.02057	1.0
135.04385	3.6
136.01558	0.5
137.02321	3.9
137.09540	0.9
139.03877	1.1
139.11159	0.5
140.04642	0.6
141.09061	1.0
143.04915	0.5
145.02878	0.5
145.06436	0.6
145.10133	0.5
147.04381	2.2
147.11655	0.4
149.02347	1.1
149.05852	0.7
149.09602	1.6
150.03101	1.3
151.03983	0.8
151.11140	1.2
153.01775	1.0
153.09065	1.5
155.03381	3.2
157.06419	0.5
158.07306	0.8
159.04460	1.8
160.01529	0.6
160.05066	0.4
161.02397	0.8
161.09590	1.6
162.03088	0.7
163.03889	2.9
163.11191	0.8
165.05481	1.4
165.09109	0.6
167.03293	0.7
167.10707	2.7
169.04958	10.4
169.08641	1.0
172.05177	1.9
173.02367	0.6
173.04462	2.8
173.05931	1.2
174.03084	0.6
174.06775	3.0
175.03941	1.4
175.07585	0.6
176.01067	0.7
177.01830	1.3
177.05400	1.0
178.02585	1.9
179.03409	1.3
179.10710	1.5
184.05179	1.9
185.05983	0.8
186.06763	1.5
187.03935	2.0
187.05963	0.5
187.07538	1.0
188.04749	0.5
189.05504	1.1
189.09128	2.9
190.02505	0.5
191.03438	1.4
191.10678	0.7
195.02849	0.6
197.13283	0.6
199.11290	0.7
200.04738	1.5
201.01872	1.0
201.05531	1.5
201.09140	0.6
201.12862	1.1
202.06261	2.6
202.09906	1.5
203.03447	1.3
203.10658	0.6
203.14307	0.7
204.04086	0.6
205.05115	0.5
205.08612	1.9
205.15923	0.6
206.02243	0.5
207.10207	4.8
212.04762	1.6
213.03778	0.9
213.12773	3.0
215.03415	1.5
215.07063	3.9
215.14369	1.2
216.07770	0.4
217.01376	0.5
217.05098	0.6
217.08699	1.2
217.12143	0.5
219.02859	1.0
223.09706	1.1
227.03499	1.3
228.04169	2.6
229.04944	1.0
229.12265	4.2
230.05878	2.9
230.09442	6.7
231.06516	0.6
231.10219	0.8
231.13853	8.4
232.07368	0.8
233.08148	0.8
233.15424	0.8
234.09105	0.6
235.06137	0.6
235.09647	3.3
239.05597	2.8
241.12286	3.7
243.10146	0.6
243.13849	3.1
245.11789	0.7
247.13400	0.9
248.06842	0.6
249.14990	1.3
251.09134	3.9
253.10788	2.3
256.03735	1.5
257.11816	2.4
258.12396	0.9
259.13400	6.4
260.06839	2.4
261.07831	0.6
265.14377	0.6
267.16022	2.0
269.11847	1.8
273.15002	1.0
275.12967	1.5
276.09903	0.7
277.07190	0.7
277.14453	0.7
285.11337	1.5
287.12866	10.1
288.06464	0.8
288.13364	0.7
289.07211	0.5
289.14407	4.0
291.05063	2.8
291.08337	0.7
291.15839	0.6
299.13046	0.7
301.14648	0.6
303.12296	3.1
305.13989	4.5
306.07532	0.5
307.08188	0.9
313.10748	1.5
317.13947	10.8
319.15585	0.7
320.09052	4.5
320.12524	0.7
321.13559	1.3
327.12341	1.0
329.03079	0.6
329.10385	0.6
331.11856	5.8
333.13400	0.7
335.15018	10.2
345.13336	2.1
349.12906	10.2
349.16840	0.9
357.09833	1.4
361.13016	0.9
363.14471	16.7
364.14746	0.6
375.10831	11.9
375.15707	0.6
377.12350	0.8
379.14093	0.7
389.12363	3.9
393.11935	25.6
394.11914	1.1
403.10269	2.8
407.13480	34.9
408.13757	1.9
421.11441	1.7
435.12964	59.8
436.13452	2.4
453.14032	100.0
454.14438	4.7
489.27396	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	489.138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	5.8
68.04757	0.7
69.03297	1.4
71.01241	1.2
72.76082	0.8
72.99179	2.7
73.02802	1.2
74.01951	0.4
78.95757	0.8
79.41006	0.5
80.91537	13.8
83.04864	2.0
91.72699	0.9
93.03323	0.5
95.04883	0.9
97.02809	1.5
99.04382	4.6
101.02294	0.5
105.25322	0.5
109.02815	0.7
111.04372	0.8
112.02235	0.5
113.02290	1.1
115.03876	1.8
115.66264	0.4
119.88254	0.4
121.02785	0.8
125.02306	1.4
127.03876	3.0
133.06438	1.2
140.63197	0.4
149.05939	1.8
149.09586	1.0
151.07555	4.1
151.11150	1.3
152.99446	1.1
153.12743	1.5
159.04366	1.7
159.08052	1.5
161.05978	0.7
165.12727	0.8
169.06361	0.7
170.88094	0.4
179.07054	2.0
181.12245	7.1
187.07542	1.6
188.08334	1.0
189.12767	0.5
199.14792	0.6
203.14395	0.5
204.11600	0.7
205.12291	1.0
207.10246	1.0
209.11804	2.5
215.14406	4.0
216.11394	0.8
217.15923	34.3
218.16312	1.3
219.17377	0.9
227.14410	1.7
233.11772	1.2
233.15591	0.8
234.12639	0.7
235.17070	1.3
243.13905	1.1
245.15443	38.5
246.15877	1.1
261.14957	1.7
263.16519	6.1
289.14487	6.6
307.15430	1.5
333.13458	23.6
334.13751	0.8
351.14502	100.0
352.14832	5.1
379.14017	5.0
407.13486	19.7
408.13654	1.3
429.23325	0.7
489.05774	0.8
489.12573	8.5
489.26904	1.1
490.13065	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79668	0.4
59.01247	2.6
69.61385	0.4
71.01235	1.0
78.95775	0.7
83.47964	0.5
85.02821	1.0
90.03512	0.5
91.03030	0.8
91.05389	61.7
93.03313	0.8
96.00745	0.7
96.95861	1.4
101.02286	1.3
113.03430	0.9
119.04893	10.5
120.05217	0.8
127.04995	0.8
128.03398	0.6
135.04402	6.4
145.06087	0.8
161.04375	0.7
163.03909	100.0
164.04259	2.3
173.04471	1.1
179.07101	0.7
179.73814	0.5
191.05576	1.5
258.52982	0.6
265.35489	0.5
282.68964	0.5
289.07059	0.6
327.14523	0.8
372.14438	0.6
382.26233	0.7
434.36954	0.5
489.20215	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73810	0.8
57.03311	1.6
59.01245	6.6
61.98681	0.9
63.25148	1.1
64.75272	0.9
71.01240	3.2
72.74503	1.4
72.99171	3.6
73.02800	1.9
83.04855	1.5
85.02817	2.5
87.00742	1.7
88.90421	1.1
89.02299	2.2
93.03307	6.5
96.95875	6.9
101.02316	2.3
108.01991	1.4
109.02827	3.7
111.00770	3.5
111.04386	5.2
113.02300	1.5
116.92680	1.5
121.02894	1.8
121.63221	1.0
123.04369	1.4
124.01558	1.1
124.96908	1.0
125.02330	1.9
130.04189	1.1
130.55713	0.9
133.02805	1.5
134.03586	1.3
135.04442	1.1
135.41475	1.0
137.02354	2.2
139.00240	1.5
151.00243	1.5
152.01004	1.2
153.01802	2.1
153.43250	1.1
155.03421	5.6
165.05565	1.2
167.03490	1.6
173.04460	11.1
179.03453	1.6
181.06523	1.4
191.05455	1.5
197.05908	2.5
208.05452	1.6
209.06079	8.5
210.06807	3.6
213.05544	1.6
221.06090	3.8
221.76318	1.1
225.05545	6.1
226.06326	47.4
227.06714	2.5
229.05029	2.6
237.05595	4.5
238.06308	23.9
241.00238	2.7
241.05038	5.9
241.08641	9.3
247.02682	1.3
253.01428	3.4
253.05112	2.5
253.08766	6.5
270.05338	22.7
282.05365	23.5
285.07709	96.9
286.07986	3.2
291.51199	1.2
297.07687	100.0
298.08176	4.6
315.08771	31.6
315.12070	1.4
316.09186	2.0
316.22336	1.2
345.11911	2.0
429.21143	2.0
452.83994	1.5
489.13708	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91356	0.8
55.14912	0.9
57.02118	0.8
57.03316	36.8
57.68315	1.0
59.01244	47.8
59.02385	0.9
61.98718	1.1
62.75062	0.9
63.72251	1.1
64.75335	0.8
69.49344	1.0
71.01241	34.9
72.99197	2.9
73.02792	5.3
79.05408	2.4
81.03333	1.9
83.01276	2.6
85.02806	14.2
87.00732	1.0
89.02296	32.1
89.02823	1.7
93.03342	2.5
95.01283	3.7
96.95872	8.4
99.00736	1.1
99.04389	9.0
101.02304	31.2
109.02838	1.6
111.00755	5.4
113.02305	26.5
119.03360	14.5
121.06459	23.9
121.07259	1.6
123.04436	1.2
125.02337	4.7
131.03410	2.6
135.04408	2.1
136.18620	1.0
137.02333	1.2
138.65990	0.9
143.03426	3.1
149.04469	1.6
153.01874	2.0
155.70737	0.9
159.31802	1.1
161.04497	4.5
165.05473	42.9
167.03476	1.4
173.04581	2.1
179.05537	5.2
218.85158	1.0
223.91223	1.4
226.06348	2.5
228.91312	1.0
238.06282	1.7
238.93404	1.2
253.01395	1.2
274.05365	1.1
282.05508	1.4
285.07736	7.8
297.07626	6.7
315.08783	1.6
327.11035	9.7
345.11920	100.0
346.12357	2.9
387.12976	29.9
387.17590	2.0
388.13577	1.8
427.16177	3.3
489.15234	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	489.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02228	0.8
57.03319	44.0
57.04525	0.7
59.01243	11.5
71.01233	2.1
73.03878	0.7
73.92064	0.6
76.96532	0.6
77.91708	0.7
81.03284	1.2
82.47747	0.7
82.95273	1.9
85.02805	0.6
89.02291	1.5
91.72760	1.1
96.95872	3.5
99.01878	0.9
99.04378	49.6
101.02312	13.8
113.02372	0.8
121.02781	1.1
122.03594	3.1
122.41058	0.8
124.66579	1.0
125.02317	20.4
128.03424	1.7
135.84464	0.9
137.58934	0.8
143.03366	1.3
150.03107	3.7
153.01843	12.2
153.05498	5.5
165.05501	1.3
168.04193	26.2
183.06546	100.0
195.67851	0.8
292.14014	1.0
309.08743	0.9
395.98657	0.9
429.21411	1.8
463.92633	0.8
489.15439	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	489.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89983	2.5
55.01759	4.1
59.01257	2.9
71.04891	19.1
97.06454	3.8
97.78062	3.5
119.04858	6.4
132.02077	7.2
133.02859	22.0
133.06433	8.8
134.03604	19.8
135.04401	6.5
144.05707	5.7
147.08138	3.6
149.05933	4.9
151.07497	4.0
152.99522	7.9
160.01567	54.2
161.02335	9.1
161.05960	26.3
163.07558	7.3
165.09140	17.3
175.03915	100.0
183.84921	3.6
193.04956	10.9
205.05011	5.9
207.06488	5.1
209.08105	9.9
209.09805	19.9
217.12289	85.5
243.10158	5.3
245.11777	8.3
261.11365	18.0
281.15485	81.6
313.23911	14.5
357.18622	4.9
365.21213	71.7
409.20227	20.5
457.26025	6.7
489.22647	23.5
489.28668	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	489.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08211	11.6
59.01257	12.4
61.61033	10.7
62.09233	11.3
70.58305	11.8
77.87023	12.1
78.95771	41.2
82.24238	15.0
95.04922	16.8
109.44098	14.4
147.07991	18.1
152.99487	90.0
155.35817	14.6
161.06024	23.3
165.09120	42.7
175.03937	39.6
209.08206	42.6
212.60922	14.1
217.12331	100.0
243.10168	24.0
261.11319	65.6
282.70007	15.4
349.22046	14.5
431.22183	30.5
489.18289	20.1
489.23560	26.1
489.29102	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	489.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08211	11.6
59.01257	12.4
61.61033	10.7
62.09233	11.3
70.58305	11.8
77.87023	12.1
78.95771	41.2
82.24238	15.0
95.04922	16.8
109.44098	14.4
147.07991	18.1
152.99487	90.0
155.35817	14.6
161.06024	23.3
165.09120	42.7
175.03937	39.6
209.08206	42.6
212.60922	14.1
217.12331	100.0
243.10168	24.0
261.11319	65.6
282.70007	15.4
349.22046	14.5
431.22183	30.5
489.18289	20.1
489.23560	26.1
489.29102	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	489.2286
Annotation	Moralbanone
Peak:m/z	Relative Intensity
53.29027	0.4
53.29259	0.4
56.01503	0.4
59.01235	0.6
66.23381	0.4
95.45158	0.4
96.29603	0.6
96.30210	0.7
101.65001	0.4
110.62740	0.5
125.20903	0.5
137.93764	0.5
139.11147	0.5
189.05457	0.5
197.05934	0.7
205.25310	0.4
209.05914	0.5
213.05704	0.5
214.06183	0.6
215.03387	0.5
223.07611	2.7
224.08372	0.4
225.05531	4.0
226.06255	0.8
239.07118	11.3
240.07906	1.4
241.05011	0.7
242.05789	1.1
249.05685	0.6
250.06421	0.7
253.05061	1.4
254.05893	1.2
263.03482	1.2
265.04999	0.8
265.12350	0.6
266.05887	1.4
267.06711	2.8
268.07437	13.9
268.10541	1.1
269.11868	1.1
278.05893	3.8
279.06540	0.9
282.12604	3.2
283.13351	3.0
284.10602	1.4
293.11871	1.3
295.09512	0.6
298.11893	0.6
306.08914	1.8
309.11285	2.5
311.12921	20.3
321.11334	9.6
322.11771	1.1
324.09006	0.5
335.13150	0.6
361.14542	0.9
362.15448	0.8
371.16519	0.8
375.16177	1.0
376.16681	0.9
377.17493	2.0
378.14545	0.7
387.15976	1.1
390.14761	0.9
399.15942	1.4
400.16763	1.3
403.15491	1.2
404.16422	0.8
405.17218	0.9
416.16278	0.8
418.17770	1.3
431.22375	1.1
443.22284	4.4
445.23804	1.3
459.21930	4.2
460.22714	2.8
461.23376	31.8
462.23712	1.4
471.21832	4.6
489.22842	100.0
490.23154	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	489.2285
Annotation	Millewanin C
Peak:m/z	Relative Intensity
61.83751	0.4
86.79642	0.5
113.36395	0.5
118.72774	0.9
118.73502	0.9
120.77057	0.4
122.03581	1.9
123.04399	0.9
150.56335	0.5
151.00264	1.1
159.04454	0.5
163.07541	0.8
168.66905	0.4
174.25343	0.5
184.19669	0.5
188.04697	0.5
199.07597	1.2
201.12747	0.5
202.06200	1.2
202.09961	0.5
212.04907	0.5
213.05507	0.6
217.12311	1.5
218.84357	0.6
222.06786	0.9
223.07631	1.6
224.04849	0.5
224.08389	0.5
225.05551	3.9
226.06349	0.9
227.07036	0.6
229.04790	0.5
229.12282	0.7
230.05789	1.1
238.06381	0.8
239.07100	13.1
240.07927	1.0
241.05107	1.3
244.11098	1.7
245.09459	0.9
245.11827	10.7
249.05408	1.0
250.06223	0.8
251.07246	0.5
252.04141	0.8
253.05110	0.7
254.05836	1.1
263.03500	2.9
265.48264	0.5
266.05893	1.6
267.06677	1.4
268.07440	10.4
268.10660	1.0
269.11816	1.3
277.05093	0.6
277.12598	0.6
278.05838	3.9
281.11960	0.6
282.12698	3.0
283.13351	2.0
284.10562	2.1
293.11798	2.3
295.09726	0.6
297.11493	0.8
306.09097	2.9
308.10364	0.7
309.11359	3.5
311.12918	16.8
321.11362	11.5
321.14804	0.5
322.11887	0.7
335.12692	0.6
358.15488	0.6
362.15262	0.7
371.16522	0.6
373.14175	0.7
375.16101	0.9
376.16690	1.0
377.17578	2.0
380.16379	0.7
385.14261	0.8
387.16147	0.8
389.13702	0.8
390.14532	0.7
399.15863	1.5
400.16855	1.9
403.15723	0.8
404.16748	1.0
405.16797	1.0
416.16449	1.5
418.17880	1.3
431.22235	1.1
433.23920	1.0
443.22388	6.2
445.24084	0.9
459.21808	7.3
460.22406	3.5
461.23383	39.6
462.23611	2.0
471.21832	7.0
489.22864	100.0
490.23187	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	489.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37303	0.2
61.15256	0.6
61.40650	0.3
67.94692	0.3
83.98455	0.3
91.72769	0.5
122.03578	0.5
131.04898	0.8
135.04388	0.3
136.05180	3.1
138.03090	0.4
146.03632	1.5
147.04405	0.4
150.03062	0.9
157.06465	0.5
158.03606	0.3
159.04462	1.3
160.05193	3.6
161.05971	2.1
162.06761	0.7
173.05984	2.6
174.06747	4.1
175.03903	0.5
175.07487	0.3
187.03922	5.1
188.04706	0.9
201.05560	1.9
201.09120	0.6
202.06294	4.6
202.09914	3.3
213.23109	0.3
217.12285	13.2
229.08633	3.6
243.10222	0.8
244.11028	23.7
245.11807	100.0
245.22023	1.0
246.12251	3.3
283.11078	0.8
406.65448	0.3
489.22693	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	489.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.5
59.01250	0.6
64.57082	0.4
69.66323	0.4
71.75163	0.4
75.82397	0.4
82.73146	0.4
83.48690	0.4
84.17549	0.5
86.44264	0.5
87.25722	0.4
99.08012	1.2
101.05929	0.9
107.04884	0.7
108.02038	1.3
109.02039	1.0
109.02789	14.7
111.79501	0.5
121.06460	1.8
122.03593	4.9
123.04360	1.2
129.21964	0.5
131.04846	0.5
134.03610	0.6
135.04398	2.7
143.49054	0.5
147.42847	0.4
148.05125	0.7
149.06033	1.0
152.99486	1.0
157.06471	1.0
162.06789	0.6
173.05995	0.7
175.03906	0.9
201.05475	1.2
225.09219	0.5
225.12793	1.0
237.12685	0.8
239.10715	1.1
240.11606	1.1
243.10233	0.6
244.11008	3.5
245.11867	1.7
253.21729	0.7
288.07819	0.6
291.10242	0.9
295.22824	0.6
298.09799	0.6
299.10928	0.5
300.11877	0.6
302.09488	0.7
303.10211	1.9
304.10767	0.7
305.11740	1.4
309.18671	0.6
311.07111	1.3
311.16516	0.9
312.07877	2.1
316.10922	0.8
317.11783	1.7
318.12402	0.7
321.18567	0.7
324.17386	3.3
325.08585	2.5
326.09518	3.1
327.10287	2.9
327.13675	0.7
330.12640	1.7
331.09808	1.1
331.13419	1.6
337.18237	0.9
341.11749	2.8
343.17029	2.1
345.11331	0.6
345.15097	3.2
346.15652	1.7
354.12643	2.0
355.13474	2.3
359.16577	3.3
360.16959	0.9
361.18069	6.3
368.14172	3.8
369.14966	18.4
370.15619	2.7
374.14691	0.6
374.18967	1.9
383.16476	5.6
384.17233	8.4
385.18024	5.5
387.15802	0.8
388.16983	0.8
390.18597	0.9
397.18103	1.7
402.18335	0.9
410.26596	0.7
411.19473	1.0
412.20325	5.3
416.16403	1.5
417.24500	0.9
427.22784	100.0
428.23209	3.7
430.21387	2.9
445.23853	39.2
446.24216	1.6
488.21606	1.2
489.22485	5.7
508.93442	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45784	0.6
53.25703	0.5
55.69624	0.6
57.03301	1.0
58.94389	0.6
78.95753	2.8
96.64940	0.7
99.08005	1.2
111.05569	0.7
112.34691	0.7
123.04391	4.3
152.99461	5.3
161.05969	2.1
206.52034	0.9
217.12291	12.1
243.10242	1.3
245.11871	3.5
301.08603	1.4
305.08350	3.2
306.08823	3.9
317.11649	1.7
319.09732	2.4
321.07724	0.9
325.18439	2.7
329.08054	3.7
333.07745	1.4
333.11331	1.1
343.09869	0.8
345.07806	1.0
346.08664	1.3
347.09320	9.8
357.11078	1.3
360.09964	1.2
361.10858	24.3
361.15121	1.7
362.11548	5.4
373.14655	2.0
377.18018	0.9
387.16064	1.8
389.13864	5.1
390.14777	14.6
404.16306	7.9
405.17081	24.0
406.17242	1.4
445.23837	1.2
461.23480	1.5
489.22885	100.0
490.23346	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	489.2285
Annotation	Macaflavanone B
Peak:m/z	Relative Intensity
56.10578	0.3
78.95770	1.7
82.59761	0.3
83.17215	0.3
109.44329	0.3
110.91097	0.5
110.91720	0.5
111.05535	0.6
111.06183	0.4
122.03611	0.9
123.03502	0.7
123.04381	9.8
147.04346	0.6
149.06003	0.6
152.99471	3.5
157.06471	0.4
159.04424	1.5
161.05844	0.4
168.93938	0.3
172.87057	0.3
173.05971	0.6
178.81261	0.3
185.06013	0.8
196.05307	0.4
197.06030	0.9
201.05498	1.4
202.06287	0.5
211.07518	0.5
217.12370	0.8
223.59079	0.3
224.04636	0.5
225.05513	0.9
226.06232	0.6
229.08643	1.4
229.12283	1.3
239.07037	0.5
241.12215	0.3
243.10265	1.6
244.11063	0.5
245.11830	2.1
249.09338	0.6
259.07407	0.4
263.07266	0.6
263.10797	1.9
264.11429	0.6
267.10263	1.4
268.11188	0.5
269.11935	1.7
273.09232	1.1
275.06976	0.4
275.10818	0.6
276.07889	1.2
277.08670	3.1
281.08630	0.6
281.11880	2.1
282.12552	0.5
288.07904	0.6
289.08609	1.0
290.05807	0.4
290.09491	0.8
291.07108	0.6
291.10248	4.7
292.07803	0.4
292.11084	0.8
293.11789	0.8
300.07840	0.6
301.08585	1.1
302.09451	1.4
303.06787	0.5
303.10101	1.9
304.07425	1.8
305.08276	5.9
305.11578	0.4
306.09039	3.2
307.09659	0.5
315.10184	0.5
316.22430	0.4
317.08057	0.8
318.08905	1.8
319.09750	10.2
320.10498	2.7
321.11292	3.4
329.08298	0.5
330.08966	0.4
331.09576	0.6
332.07028	0.4
333.07855	0.6
333.11313	1.7
333.14819	0.6
334.12140	0.4
343.09763	0.9
344.10397	0.4
345.15094	0.7
346.08328	0.8
347.09280	1.5
347.16486	0.4
348.09793	0.5
359.16675	0.8
361.10696	1.6
361.14484	0.9
362.11447	1.0
365.17606	1.1
369.14886	0.7
371.12875	0.4
375.12030	0.7
375.16223	0.8
377.17584	0.9
385.14575	0.5
387.16028	5.4
387.20950	0.2
388.17114	0.5
389.13916	4.2
390.14780	4.9
403.15598	4.2
404.16324	30.4
405.17090	24.5
405.22653	0.8
406.17508	0.7
445.23712	1.2
471.21780	1.2
489.22855	100.0
490.23172	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	489.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78722	0.2
57.03347	0.3
59.01236	0.5
61.98695	0.4
72.98304	0.3
84.52959	0.3
91.73264	0.4
99.08015	0.5
101.97643	0.4
107.02875	0.3
110.91121	0.5
121.02857	0.5
122.03632	0.6
123.03516	0.5
123.04390	7.3
135.04367	0.5
147.04449	0.5
159.04440	0.8
161.05913	0.6
172.05174	0.3
173.06001	0.8
183.01161	0.4
184.05241	0.4
185.06081	0.7
187.07675	0.4
197.06058	0.7
199.07687	0.4
201.05530	1.0
202.06422	0.4
211.07594	0.5
212.04985	0.4
217.12593	0.4
225.05516	0.6
226.06340	0.7
229.08676	0.9
237.09195	0.3
238.06343	0.7
239.07243	1.1
243.10327	0.7
244.11090	0.9
245.11787	1.5
248.08365	0.7
249.09186	0.8
250.10022	0.4
261.09363	0.5
262.06400	0.5
263.07278	0.6
263.10825	2.1
267.10303	0.7
268.11060	0.5
269.11810	1.7
273.09290	0.7
275.07104	0.6
276.07956	2.0
277.08685	3.2
278.09335	0.5
281.08154	0.8
281.11862	1.7
282.12509	0.4
287.07190	0.6
288.07892	0.7
289.08694	0.9
290.06052	0.5
290.09396	0.5
291.06671	1.4
291.10324	3.9
292.10986	0.7
293.08496	0.6
293.11768	0.7
301.08618	1.5
302.09491	1.9
303.06677	0.9
303.10291	2.3
304.07434	2.1
304.10583	0.4
305.08246	9.6
306.08945	4.8
315.10394	0.4
317.08200	1.0
317.11682	0.5
318.09015	1.6
318.12415	0.4
319.09769	12.8
320.10498	3.7
321.11374	2.9
321.14868	0.5
325.18362	1.0
326.09509	0.5
329.08246	1.3
331.06128	0.4
332.07028	2.5
333.07529	0.8
333.11407	0.7
343.09790	1.2
344.10602	0.8
345.07642	0.7
346.08319	1.0
347.09268	2.2
348.09970	0.6
359.16522	0.4
361.10727	1.5
361.14505	0.7
361.18323	0.5
362.11511	0.7
365.17749	0.6
369.14893	0.6
371.13068	0.7
375.12244	0.6
377.17728	0.6
385.14215	0.4
387.16074	4.4
388.17175	0.8
389.13980	4.0
390.14749	6.8
403.15488	2.3
404.16299	22.5
405.17065	16.0
406.17377	0.6
445.24042	0.9
471.21942	0.5
489.22885	100.0
490.23270	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	489.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12453	0.1
61.15258	0.3
61.40658	0.3
64.66847	0.2
65.29844	0.2
66.37508	0.2
69.25795	0.2
72.44367	0.2
73.36842	0.2
77.27026	0.2
83.24455	0.2
88.20392	0.2
100.93068	0.2
107.53249	0.2
112.98412	0.3
122.03579	0.6
123.04360	0.3
131.04866	0.5
133.06418	0.3
136.05185	2.4
138.03056	0.3
146.03624	1.4
147.04404	0.5
148.05145	0.2
150.03154	1.1
157.06474	0.3
158.03606	0.4
159.04430	1.3
160.05200	3.3
161.05986	2.5
162.06741	0.8
172.05217	0.2
173.05980	2.5
174.06772	4.1
175.03906	0.6
182.98845	0.2
185.73196	0.2
187.03943	5.0
187.07573	0.4
188.04739	1.0
192.04211	0.5
199.07573	0.2
201.05493	2.0
201.09128	0.3
201.12856	0.2
202.06285	4.7
202.09920	3.3
217.12291	14.1
218.12593	0.4
229.08690	3.2
230.09251	0.3
243.10208	0.7
244.11028	25.2
245.00676	0.7
245.11810	100.0
246.12254	2.0
283.10999	0.6
390.27496	0.2
405.16962	0.3
447.49768	0.2
460.21625	0.3
461.22742	0.7
489.22662	2.3
490.23224	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	1.2
57.03308	1.3
57.46307	0.4
58.00445	0.7
59.01240	25.9
59.02430	0.6
61.98399	0.5
61.98689	5.6
64.00340	0.5
64.00641	0.3
69.03316	0.5
71.01237	11.9
72.99158	0.8
73.02808	3.9
73.03613	0.3
83.01236	3.1
85.02802	5.2
85.99939	0.7
87.00719	1.1
89.02288	6.5
92.35284	0.3
95.01231	0.8
95.64982	0.3
97.06455	0.4
99.00732	1.0
101.02297	10.9
102.20438	0.3
111.00717	0.5
111.08012	1.4
113.02299	4.1
113.09566	1.4
119.03355	2.3
125.02323	0.4
125.09558	1.0
138.51762	0.8
139.07487	0.5
153.09123	0.5
157.08591	21.4
161.04443	1.0
169.12209	0.7
171.10114	1.7
179.05530	0.5
183.10008	0.5
184.32509	0.4
185.11638	1.0
185.31529	0.4
185.37093	0.4
187.09662	2.6
194.79126	0.4
197.11726	0.5
199.09706	0.5
201.11250	2.1
265.18018	1.8
273.18564	0.5
291.19751	1.3
309.20697	4.3
327.21829	2.4
369.13437	1.4
421.57773	0.4
429.21545	1.1
451.21805	1.1
453.13919	0.5
471.26196	2.1
489.27078	100.0
490.27475	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	489.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.8
56.47943	0.3
57.03305	1.2
58.00460	0.4
58.97996	0.2
58.99982	0.3
59.01242	25.4
59.02368	0.5
61.18907	0.2
61.98689	4.5
63.93722	0.2
64.00340	0.4
65.63710	0.3
69.03307	0.6
71.01240	11.9
72.99153	1.2
73.02799	3.2
75.00711	0.3
79.65204	0.3
81.35213	0.3
83.01230	2.4
83.04860	0.4
85.02804	5.6
85.99938	0.7
87.00739	0.8
89.02296	6.6
95.01231	0.9
99.00761	1.6
101.02295	9.4
105.35181	0.3
109.02818	0.4
111.00747	0.5
111.08004	1.7
113.02303	4.1
113.09579	1.1
119.03354	1.8
123.04360	0.4
125.09592	1.0
138.51743	0.6
139.07530	0.7
139.11157	0.3
146.78673	0.3
157.08595	21.1
161.04459	0.8
164.07216	0.3
169.12254	0.5
171.10124	1.4
185.11819	1.5
185.31374	0.3
187.09685	2.7
201.11250	1.6
211.13345	0.6
219.10153	0.4
219.98576	0.3
265.17993	1.8
273.15097	0.4
273.18524	0.5
291.19614	1.3
309.20712	5.5
327.21909	2.4
369.13412	2.5
429.21371	0.9
451.21878	0.9
471.25995	2.0
489.27069	100.0
490.27441	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	489.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43868	0.4
59.01238	7.3
61.98681	1.4
71.01249	3.9
72.99137	0.9
73.63508	0.6
75.83820	0.5
76.05437	0.5
77.01044	0.4
78.91708	0.5
79.41735	0.4
80.91552	0.5
85.02774	1.1
89.02296	2.7
91.01717	0.8
92.81017	0.6
95.93944	0.7
96.95857	0.8
101.02274	2.1
109.02791	3.1
113.02272	1.8
115.48098	0.5
119.03346	0.6
119.87518	0.5
121.02802	0.6
125.02294	0.7
126.45588	0.5
130.49202	0.5
133.02824	3.8
134.03596	1.3
135.04396	23.7
136.04716	1.2
145.02861	3.9
146.03621	1.1
147.04424	1.4
148.21568	0.5
150.58710	0.5
153.01816	0.8
161.09943	0.6
163.03870	2.3
165.06967	0.6
167.04947	0.7
173.02330	1.6
174.03122	0.7
179.03406	15.2
180.05655	1.5
181.06499	2.0
191.04895	1.1
192.09578	0.5
193.06418	1.2
195.04407	0.9
196.05168	0.5
197.06023	1.4
198.06799	0.7
200.01164	0.8
207.04512	0.8
208.05275	2.4
209.06012	8.5
211.03969	1.8
212.04938	0.5
219.04404	2.6
220.05305	0.8
221.06078	1.8
224.04829	1.2
225.05582	4.0
226.06276	0.9
235.03998	2.0
236.04691	1.7
237.05551	18.9
238.05998	1.5
240.04388	0.8
245.91287	0.6
247.04016	2.0
247.20607	4.3
248.04829	2.4
249.05333	0.6
249.22139	0.8
250.06320	1.0
252.04263	1.2
253.05028	9.8
254.05511	1.3
263.03442	3.1
264.04208	3.2
265.05078	14.3
266.05762	4.2
267.02957	1.2
267.06586	2.3
269.04160	0.6
281.04562	35.5
282.05032	3.7
283.06079	1.0
291.02948	1.2
291.19788	3.3
292.03802	0.7
309.04050	100.0
309.20712	5.1
310.04709	22.3
311.05588	12.5
312.06253	0.6
327.21881	3.0
351.14514	1.5
471.25699	0.9
488.97357	0.6
489.08270	2.2
489.27087	43.0
490.27658	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	489.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35389	0.4
68.53484	1.0
68.53800	0.6
78.95739	0.5
86.94579	0.5
89.06521	0.5
91.29518	0.5
91.72807	0.6
95.04924	0.5
105.03332	2.7
117.03363	1.2
132.02057	8.1
133.02837	16.7
134.02664	1.0
134.03619	15.5
135.04402	3.6
137.02309	1.4
139.03922	0.7
148.05170	1.6
149.05975	1.4
152.99463	1.0
157.08624	1.5
160.01559	45.6
161.02362	8.8
161.05983	1.1
175.03920	100.0
175.09926	1.1
176.04243	1.4
177.01788	0.8
178.02623	1.7
179.03368	1.0
193.05022	8.1
231.30086	0.5
233.08182	0.6
249.26663	0.5
275.12701	0.8
275.65244	0.5
295.22760	2.0
313.23856	12.9
317.17450	0.8
345.17136	0.9
370.91327	0.8
389.26935	1.8
424.74460	0.6
430.56836	0.6
457.26120	3.7
474.26169	0.7
489.28622	68.6
490.29010	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	490.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35519	0.6
53.21759	0.7
59.00973	1.2
59.01241	16.2
61.97498	1.3
61.98692	69.2
62.00013	1.3
65.97626	0.7
69.03300	0.9
71.01239	4.4
72.97699	0.7
72.99165	32.9
73.02792	3.7
74.00853	0.7
75.00722	2.6
78.61116	0.7
83.04875	1.2
85.02803	1.5
87.00713	1.8
89.02291	3.5
93.03343	0.8
96.02032	0.8
96.95854	1.5
97.02806	3.4
97.06441	0.8
99.04377	1.3
101.02290	3.0
107.04862	4.1
109.02863	1.0
111.04401	1.3
113.02324	5.2
117.06940	1.3
117.37167	0.8
123.04402	2.8
123.08009	0.9
125.02324	7.5
125.05952	1.4
128.03389	0.9
133.06497	1.6
135.04404	4.9
135.08000	2.8
136.05151	2.2
138.03189	0.9
142.28087	1.0
149.06010	0.8
149.09593	1.1
150.03111	1.1
151.07533	27.4
153.05486	1.7
160.05191	2.4
161.05954	5.9
163.06007	1.0
167.10625	0.9
169.04953	2.9
173.04582	1.0
176.04654	0.8
177.01891	1.1
177.05446	1.6
179.03528	1.5
179.07039	52.0
180.07387	1.5
191.10645	0.9
196.37254	0.9
197.04471	2.7
204.11655	0.8
205.04857	1.3
209.11749	1.3
211.09662	2.9
217.12326	2.0
219.10286	0.9
219.13799	2.7
223.06038	5.0
228.08061	0.9
229.01408	3.4
229.15990	2.1
230.02330	1.0
235.13399	2.9
241.07092	1.1
245.15460	1.6
247.13382	7.3
248.14021	0.9
255.13953	1.0
257.00888	14.4
258.01657	2.7
259.06107	1.3
267.13901	1.2
269.00919	1.0
269.04291	1.4
273.15005	5.5
285.00485	7.1
286.01178	2.2
286.11539	0.8
291.16037	33.6
292.16309	1.8
300.03006	3.9
301.03476	1.2
309.17120	11.5
310.09293	1.2
317.13892	5.1
328.02206	2.9
329.03055	8.0
335.15002	35.1
336.15289	1.1
343.34732	0.9
347.15079	2.0
353.16061	44.0
354.16629	1.9
377.70401	1.0
409.14911	2.4
427.16086	100.0
428.16580	5.0
430.21198	1.4
490.15787	1.9
490.30307	3.4
491.08127	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.281
Annotation	Epothilone G2
Peak:m/z	Relative Intensity
59.00983	0.6
59.01235	4.9
59.03325	0.5
59.49183	1.0
60.84417	0.9
61.98685	2.4
66.52865	0.6
71.01220	1.0
78.95732	0.9
82.95285	1.2
93.03311	1.4
96.95888	0.7
109.06462	0.9
117.03327	30.5
118.04105	5.4
119.04890	47.9
120.05228	0.9
121.02812	11.2
123.04402	2.4
133.02832	2.9
145.02832	100.0
146.03186	1.4
162.03120	5.0
163.03905	33.1
164.04198	0.8
173.04419	1.0
174.01581	1.2
215.04517	0.7
255.19684	0.7
300.78452	0.8
399.21634	1.2
401.23267	4.3
431.24356	25.5
432.24524	0.9
443.24402	15.4
455.24448	17.3
460.27087	51.0
461.27448	2.6
472.27029	19.6
473.27197	1.3
490.28094	46.8
491.28339	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	491.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18659	0.8
59.01249	6.0
61.98695	8.1
63.30587	0.8
69.03315	0.9
71.01242	1.2
72.99165	2.1
73.02782	1.2
73.19762	0.8
82.94778	1.3
82.95271	26.7
82.96468	0.8
89.02274	1.7
93.03279	1.2
96.95863	3.6
99.13317	0.8
101.02277	1.9
108.02061	0.9
108.81162	1.1
109.02827	8.3
121.02829	1.6
125.02329	1.7
129.59792	0.9
135.04376	5.0
145.02876	1.2
146.03676	1.4
147.04414	3.0
148.05162	1.0
149.05974	33.5
151.00195	1.1
153.01785	1.4
156.06906	0.9
160.01500	1.0
161.02385	1.1
163.03983	1.3
173.02299	1.0
179.03374	1.6
179.06912	1.0
186.03172	2.0
187.03923	2.6
193.06625	1.0
198.03127	1.3
199.04016	1.7
200.04762	2.2
201.05412	1.0
209.06050	2.2
211.03963	1.7
214.02698	3.2
215.03447	2.2
221.05934	1.3
224.04851	2.8
225.05521	2.6
227.03455	3.6
228.04243	3.0
229.04970	1.8
237.05594	3.1
238.06242	1.2
239.03539	2.5
239.07100	1.0
240.04265	1.7
241.04955	1.2
242.02148	8.3
243.02931	11.9
249.05531	2.1
251.03458	1.5
252.04211	1.7
253.05057	3.7
255.03001	2.9
256.03769	28.6
257.04199	1.4
263.03595	2.6
264.04086	1.6
265.05063	3.5
266.05936	1.4
266.09631	1.3
267.03033	1.5
269.04587	1.3
271.02518	2.6
273.09210	1.1
279.03021	2.9
280.03711	5.1
281.04544	8.5
288.02838	4.8
292.03824	1.5
293.04630	14.0
293.07831	2.3
294.05313	3.7
311.05328	1.3
312.06131	1.7
313.06177	1.6
317.07712	1.1
329.13855	2.5
345.07791	2.8
347.09360	2.0
357.07733	1.8
373.07120	1.8
375.08887	3.3
377.18173	1.2
401.06616	2.5
401.13974	2.2
403.08252	45.8
404.08484	2.5
413.14130	5.4
421.11551	2.3
431.23294	1.6
447.07190	100.0
448.07626	6.0
461.16193	3.1
463.10660	1.8
473.16074	2.2
491.06219	50.2
492.06497	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	491.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66580	0.2
58.95765	0.2
59.01244	1.9
61.98699	0.5
71.01245	0.5
85.02773	0.2
87.00716	0.2
89.02279	0.3
91.03754	0.2
93.03308	0.5
96.95853	0.3
101.02304	0.7
101.84837	0.2
108.02027	0.4
109.02811	5.2
113.02267	0.5
118.57153	0.2
119.04963	0.2
121.02811	0.6
123.04350	0.2
123.21847	0.2
125.02264	0.3
129.03346	0.3
133.02811	0.9
134.03563	0.2
135.04416	2.2
137.02255	0.3
143.04887	0.3
145.02814	0.4
146.03601	0.6
147.04399	1.6
158.03685	0.5
158.66866	0.3
159.04475	1.0
161.02377	0.5
161.04518	0.4
161.06015	0.3
167.04918	0.5
169.06525	0.3
171.04408	0.5
172.05063	0.4
173.02422	0.3
173.05948	0.4
174.03125	0.6
175.03947	0.4
177.01781	0.5
179.03397	0.4
180.05666	0.4
181.06439	0.5
183.04434	0.5
184.05231	0.2
185.02362	0.6
185.06065	0.3
186.03162	1.9
187.03917	1.8
193.06548	0.7
195.04457	0.8
196.05263	0.8
197.06003	0.7
198.03162	0.8
199.03918	0.7
200.04720	2.1
202.02629	0.7
207.04466	0.6
208.05214	0.8
209.05969	1.5
210.03067	0.3
211.03938	1.7
212.04729	0.7
213.01962	1.0
213.05544	0.4
214.02715	1.7
215.03497	1.1
221.06107	0.6
222.06897	0.3
223.04022	1.4
224.04759	3.1
225.05540	2.1
226.02686	0.5
227.03476	3.2
228.04193	1.7
229.05057	0.6
234.03127	0.2
235.04037	1.7
236.04730	0.8
236.55618	0.2
237.05554	3.2
238.06140	0.3
239.03526	1.0
239.07196	0.2
240.04242	1.0
241.01492	0.2
241.05019	0.3
242.02179	6.2
243.02982	9.1
245.00885	0.5
247.04010	0.3
249.05713	1.1
250.06320	0.4
251.03542	2.8
252.04228	1.9
253.05028	2.0
255.03020	1.6
256.03763	15.7
257.04385	0.6
263.03510	2.3
264.04211	1.2
265.05042	3.2
266.05826	0.5
267.02985	0.9
267.06644	0.4
268.03699	0.6
269.04550	0.7
269.08163	0.4
273.09369	0.3
275.03540	0.3
275.07150	0.3
276.04507	0.3
277.05154	0.5
278.05774	0.7
279.03046	3.4
279.06088	0.4
280.03775	6.8
281.04565	8.5
281.07764	0.5
282.05057	0.4
283.02298	0.4
284.03009	0.5
285.03983	0.6
288.02750	2.4
292.03809	0.6
292.07343	0.2
293.04596	11.9
293.08191	1.1
294.05362	3.8
295.02554	0.4
297.03864	0.4
299.15369	0.2
301.08701	0.9
303.06509	0.3
306.01700	0.9
307.02481	1.0
315.06412	0.4
317.08011	0.4
319.06177	0.4
319.09766	0.7
324.02679	0.3
325.03543	0.7
329.08246	0.7
331.06082	0.5
332.06793	0.5
345.07623	1.4
347.09302	1.3
355.06158	0.5
356.06573	0.3
357.07837	0.8
359.05710	0.5
367.10602	0.3
373.07104	1.2
374.07968	0.3
375.08804	1.9
385.07169	0.7
388.05899	0.7
401.06540	1.9
403.08212	12.6
404.08383	0.3
411.04996	0.4
418.59668	0.3
419.07785	0.8
429.06143	1.5
431.19156	0.8
447.07239	100.0
448.07623	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	491.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11050	0.4
54.18391	0.4
54.26804	0.4
56.89932	0.4
59.01241	25.0
59.01516	0.8
60.01571	2.4
61.01632	0.8
61.98660	0.8
71.01241	4.7
72.99144	0.5
73.00493	0.4
73.02773	1.6
78.91721	0.5
83.01231	0.8
85.02784	1.8
87.25723	0.5
89.02297	2.7
90.62907	0.5
93.03318	0.5
95.01225	0.6
99.00732	0.6
101.02283	3.2
102.02618	0.5
106.05992	1.1
108.02000	0.8
109.02811	7.0
113.02313	2.5
119.03320	1.3
120.03613	0.5
120.22318	0.5
121.02748	1.4
122.03542	1.0
123.04333	0.7
125.02299	0.6
127.65001	0.4
132.98242	0.5
133.02791	0.5
135.04385	4.3
145.02821	1.0
146.03534	0.6
147.04387	3.5
148.05202	5.3
149.05884	0.6
158.03638	0.8
159.04387	1.2
161.02330	0.9
161.04410	2.1
161.05954	1.5
167.04948	0.7
171.04431	0.7
172.05154	1.4
179.03156	0.7
179.05452	0.5
181.06451	0.7
185.02345	1.6
186.03075	1.6
187.03844	2.2
193.06461	1.3
195.04401	0.5
196.05179	2.0
197.05989	1.4
198.03046	1.1
199.03947	2.3
200.04721	4.6
207.04550	0.7
208.05151	1.2
209.05968	1.8
211.03928	2.2
212.04678	0.9
213.01837	1.4
213.05566	0.6
214.02663	2.3
215.03336	1.3
220.07581	0.5
221.06050	1.0
223.03947	2.3
223.07489	0.6
224.04771	6.1
225.05501	3.5
226.02708	1.0
227.03458	7.5
228.04309	2.5
229.04800	0.6
235.03951	1.9
235.07559	0.7
236.04601	0.6
237.05550	5.8
238.06175	1.0
239.03476	1.6
240.04097	1.4
241.01410	0.9
241.04860	0.6
242.02200	9.6
243.02965	7.3
248.04898	0.8
249.05475	1.2
251.03485	6.3
252.04164	3.2
253.05046	5.2
255.02960	4.4
256.03766	24.7
257.04306	1.2
264.04205	1.6
265.02127	0.7
265.05026	5.9
266.05777	2.1
267.02917	1.9
267.06519	1.4
267.15924	0.6
268.07526	0.9
268.16388	0.6
269.04498	0.9
270.09079	0.6
271.02441	1.1
276.04395	0.6
277.05170	0.8
279.03058	3.0
280.03772	27.7
281.04480	9.3
281.08109	4.1
283.02530	0.7
285.11349	14.5
288.02756	6.2
293.04620	19.9
293.08157	3.1
294.05322	15.2
295.05902	0.8
299.14996	2.9
315.06726	0.6
327.01486	1.1
328.07333	0.6
330.04831	0.6
331.06018	0.7
337.03497	4.6
338.04279	1.0
345.07602	1.6
347.09189	2.2
357.07565	1.6
359.05606	1.1
360.10068	0.7
367.05737	0.6
373.07104	1.7
375.08633	3.4
385.07178	1.9
401.06863	3.6
403.08218	66.7
404.08609	3.3
429.21140	2.3
430.21661	14.6
431.19659	5.5
431.21692	5.3
447.07236	100.0
448.07520	6.3
491.02496	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	5.5
59.01244	41.4
61.98696	5.2
71.01246	14.0
72.99171	2.1
73.02807	3.9
83.01193	1.9
85.02801	5.5
87.00710	3.0
89.02289	10.4
90.09614	1.6
91.01729	1.8
93.03358	2.2
93.31409	2.4
96.95872	4.2
101.02300	8.6
109.02814	19.6
113.02301	6.3
115.00235	6.8
116.92689	3.2
119.03355	2.7
121.02834	2.7
121.42460	1.9
125.02341	2.7
133.01285	10.6
133.02817	7.5
133.04927	4.3
135.04408	34.4
145.02814	2.4
147.04388	7.8
153.01837	3.2
159.04370	10.7
161.04425	4.2
166.51744	2.0
177.01884	5.2
179.03400	12.2
186.03143	7.7
198.03218	5.3
199.04193	2.3
203.03374	2.1
211.03867	2.7
214.02689	6.8
223.03969	2.7
226.02740	7.2
227.03520	5.5
237.05637	7.0
239.03448	3.5
242.02213	40.6
243.02992	14.2
253.01442	11.8
255.03085	2.7
256.03738	12.4
267.03003	8.0
267.06638	14.5
269.04602	8.0
269.08182	7.7
269.17587	3.5
281.04282	2.0
284.03516	9.3
285.04105	3.7
293.04425	3.1
293.74704	2.2
311.05484	2.3
312.06473	3.4
313.03580	4.7
337.03391	2.5
347.17160	18.3
383.99594	2.2
389.18317	5.7
403.08246	100.0
404.08505	5.5
431.22986	28.0
443.73447	2.2
447.07236	7.9
490.19550	5.5
491.06125	4.2
491.20764	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15773	0.5
53.58036	0.4
59.01241	4.9
61.98683	2.4
66.72517	0.5
71.01232	2.7
73.02791	1.4
78.14380	0.6
78.55759	0.5
83.01290	0.5
85.02805	1.2
89.02287	1.1
89.48627	0.7
93.03281	0.9
96.95907	1.0
99.89822	0.6
100.27988	0.5
101.02287	2.9
108.02039	0.5
109.02805	5.8
113.02299	1.4
115.95585	0.7
119.03381	0.8
121.02798	3.3
125.02322	0.7
125.67695	0.6
133.02820	0.6
134.03647	1.0
135.04393	12.3
145.02826	1.7
146.03644	0.8
147.04384	1.6
149.02388	0.7
158.03618	0.8
159.04395	1.5
161.02361	1.7
161.04480	1.8
165.06931	0.6
165.45100	0.7
174.03149	0.7
177.01952	0.6
179.03406	8.2
183.04314	0.9
185.02365	0.9
186.03140	2.0
187.03925	1.1
193.04971	1.6
193.06529	0.8
196.05154	1.3
197.06122	1.0
198.03189	0.8
199.03925	1.6
200.04750	2.2
202.02705	1.2
208.05148	0.8
209.05997	3.0
211.03966	1.7
211.07617	1.5
213.01868	0.6
214.02722	2.1
221.06079	1.9
223.03886	1.0
224.04701	4.2
225.05553	2.8
226.02748	0.7
227.03355	3.8
228.04219	2.2
229.05025	0.8
235.03946	2.1
236.04576	0.8
237.05469	3.0
238.06264	1.1
239.03427	1.4
239.07118	2.4
240.04251	0.6
242.02155	6.7
243.02936	6.6
245.00681	0.6
249.05536	1.7
250.06287	1.6
251.03346	2.8
252.04250	2.1
253.05040	2.1
254.84106	0.6
255.03017	2.2
255.06821	0.7
256.03772	16.0
257.04434	1.0
263.03531	1.9
264.04272	1.9
265.05142	4.1
266.05652	2.3
267.03311	1.3
267.06641	8.9
268.03745	0.9
268.07233	0.9
269.04501	0.9
269.17395	0.9
271.02554	1.1
279.03085	2.8
280.03787	10.3
281.04532	8.6
288.02811	3.1
293.04599	12.9
293.07870	0.9
294.05304	5.8
299.02078	2.2
301.08774	0.6
307.02649	1.1
311.05432	4.0
312.06314	1.8
313.16571	1.4
314.04382	2.4
317.07965	0.8
329.06775	4.0
329.10452	1.3
332.06854	0.9
337.03683	1.7
345.07629	1.6
347.09433	1.6
357.07449	1.1
373.07141	1.4
375.08517	1.2
383.05722	0.8
401.06757	2.1
403.08200	21.8
404.09116	0.7
429.06097	1.1
431.22626	1.3
445.20706	6.8
447.07236	100.0
448.07776	4.4
491.28757	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92174	1.3
57.03315	3.5
58.01664	1.2
59.65668	1.5
67.01743	11.1
67.66976	1.2
68.99676	4.0
69.03311	36.3
71.01240	3.3
81.03310	2.8
83.01240	4.3
85.02805	11.0
91.72710	3.3
95.01241	58.9
96.95857	3.9
97.02798	10.4
99.00762	6.2
108.19923	1.7
109.02815	5.0
111.00729	4.8
113.02303	18.6
113.40867	1.5
114.55798	1.4
123.00745	89.2
123.04309	1.9
124.01566	7.4
125.02321	25.7
135.71666	1.6
137.02344	5.5
139.00224	7.2
139.29730	1.6
141.01810	49.9
151.00241	9.0
153.01799	11.4
165.01781	4.1
166.02545	1.9
166.99748	23.1
167.03429	8.5
168.00584	5.2
169.01331	2.9
174.61252	1.5
176.55049	1.8
179.03397	2.8
184.59361	1.6
185.00833	100.0
201.05444	1.7
219.06630	3.6
226.51552	1.7
230.05540	2.1
276.11316	1.5
305.06625	24.2
321.05930	1.9
419.33179	2.0
443.67905	1.8
448.80209	2.1
455.08112	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	491.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26321	0.9
50.34364	1.4
57.03302	3.5
57.66753	0.8
59.01230	4.2
69.03319	2.4
71.01237	3.0
71.02956	0.8
72.97601	1.2
72.99166	67.4
73.02810	1.2
73.09320	0.9
82.52418	1.0
85.02814	4.7
89.02296	2.1
93.03301	1.7
96.95827	1.3
97.02789	5.6
101.02272	1.9
109.02834	3.0
109.47365	1.0
110.19522	1.3
111.00747	2.9
113.02305	99.3
116.81200	1.0
120.99556	1.4
121.02824	2.0
123.39770	1.3
125.02309	17.5
135.04350	1.6
135.08081	1.2
137.02274	2.0
139.03874	1.3
139.07562	1.0
141.01808	20.5
142.05336	1.0
149.02324	2.1
151.03932	1.4
163.03947	1.7
163.07558	1.6
165.09099	1.9
172.68517	1.0
173.06061	1.1
190.06180	1.5
191.01819	1.8
191.03416	1.4
191.51683	1.1
193.08656	1.8
199.11400	1.0
202.06273	1.3
203.07297	1.3
220.07381	1.3
221.08267	1.1
226.06306	7.5
227.48473	1.0
229.04800	1.0
231.10210	1.8
245.11928	1.3
251.03868	2.2
252.04297	2.5
256.39526	1.0
270.05392	6.7
271.10013	1.1
273.11322	1.6
275.12918	2.7
277.10809	1.4
285.07629	18.3
289.10730	1.7
291.12314	1.2
305.06616	1.2
307.11884	2.4
311.05643	4.5
319.11819	4.1
325.12759	1.3
337.12891	2.1
381.11786	4.2
384.73407	1.4
399.08023	2.2
399.13028	26.5
400.13510	1.8
411.12903	2.9
427.12460	70.5
428.12665	3.4
431.22705	1.6
449.07831	1.5
455.11990	100.0
456.12399	3.3
479.29657	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0986
Annotation	Salvianolic acid C
Peak:m/z	Relative Intensity
50.24521	0.3
50.82481	0.3
51.59831	0.4
58.00452	0.5
59.01243	1.0
61.98695	0.5
71.22419	0.4
72.60707	0.4
82.95277	3.0
83.06956	0.4
91.52203	0.4
91.73417	0.6
96.95899	1.0
105.47778	0.6
107.04894	1.2
109.02808	0.7
134.03625	3.8
135.04393	96.1
135.08455	1.5
136.04790	1.1
161.02399	1.0
165.05479	1.8
179.03409	100.0
179.09631	1.2
180.03745	1.5
193.05011	0.8
210.50098	0.5
248.61511	0.7
248.63652	0.5
248.83469	0.5
267.06601	0.7
311.05560	2.0
346.62079	0.5
364.76529	0.5
447.11050	0.7
491.13626	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34811	0.5
53.75265	0.5
57.03297	0.7
59.01241	15.4
61.98692	1.2
63.39699	0.7
71.01234	3.5
71.74604	0.8
71.90715	0.6
73.02808	1.2
75.58628	0.8
83.01237	1.0
85.02783	1.3
89.02297	4.8
93.03304	2.2
96.95874	1.0
101.02312	3.3
104.77326	0.6
107.04925	1.0
108.02029	2.0
109.02812	23.4
113.02299	1.6
115.09024	0.6
117.03322	1.5
119.03344	1.4
119.04808	0.9
121.02817	6.1
122.03516	0.8
125.02294	1.3
133.02837	2.4
134.03596	3.4
135.04393	57.6
137.02299	2.2
145.02834	16.3
146.03632	3.9
147.04398	5.7
149.04408	1.1
153.01825	1.1
159.04370	6.5
161.02290	1.6
161.04448	1.3
161.05865	0.6
171.04424	1.4
172.05269	0.8
173.02399	0.7
179.03415	4.9
179.05240	0.8
181.06528	1.0
183.04427	1.5
185.06049	1.1
185.11693	1.1
193.06540	1.0
196.70706	0.6
197.05966	0.9
205.06526	1.0
207.08081	2.1
209.05991	2.2
209.09572	0.7
210.06752	1.2
211.04008	0.8
211.07574	6.9
219.08174	1.8
221.06094	2.6
221.09741	0.7
222.06781	2.0
223.07640	4.9
224.04747	1.4
225.05476	2.2
233.06105	1.5
234.06863	2.1
235.07579	7.5
237.05533	2.5
237.09137	6.1
238.06267	1.5
239.07109	7.9
240.07835	0.9
247.07660	3.2
249.05563	4.1
249.09224	1.1
250.06317	4.9
251.07130	10.1
252.04561	1.0
252.07816	1.7
253.05103	1.6
253.08640	0.9
255.06842	1.3
256.03641	0.8
261.05637	1.2
262.06351	0.7
263.07114	13.8
264.04315	1.7
264.07837	1.9
265.05276	4.2
265.08679	7.0
266.05829	1.9
267.03693	0.8
267.06644	27.5
268.07407	43.6
269.08002	2.9
269.17676	2.1
275.07150	8.9
276.07886	2.6
277.05072	2.3
278.05774	1.4
279.06552	4.1
280.07376	4.6
281.08197	84.3
282.08646	2.0
284.03448	0.9
291.06595	2.2
292.07401	1.9
293.08209	100.0
294.05560	0.9
294.08542	3.5
295.06256	1.6
307.06030	1.4
311.05692	5.9
312.06415	60.4
313.06781	2.0
319.06061	1.5
323.05292	0.7
324.06390	1.5
325.07190	27.1
326.10883	0.7
329.10349	2.5
329.16165	0.9
337.03320	1.4
337.07196	14.6
347.17111	5.3
389.18079	0.7
403.07416	1.2
403.11996	21.4
404.12024	1.0
406.59467	0.8
431.22870	6.0
445.20999	0.8
447.11661	3.6
491.09509	1.0
513.26050	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35194	0.2
59.01249	0.6
61.98693	0.4
65.92420	0.2
71.01250	0.3
71.06760	0.2
77.03827	0.3
82.95273	2.7
89.03854	0.4
91.05415	0.3
95.02934	0.2
95.04869	1.0
96.95872	1.5
105.03324	2.3
105.47789	0.4
107.04881	0.8
108.02061	0.2
109.02830	0.4
112.54729	0.2
113.85667	0.2
117.03358	0.5
119.04920	0.7
121.02816	0.6
122.36038	0.2
123.04422	0.5
125.02270	0.5
132.02116	0.2
133.02834	15.0
134.03616	4.8
135.00006	1.2
135.04396	100.0
135.08202	1.1
136.04794	1.3
137.02322	0.9
139.03896	0.4
161.02307	0.3
166.06242	0.7
176.12550	0.2
177.01842	6.2
178.02632	1.9
178.96710	0.8
179.03413	80.2
179.09215	0.8
180.03732	1.1
239.07079	1.2
267.06625	1.6
269.08246	0.6
283.06232	0.3
297.07764	0.3
311.05621	4.2
312.06433	0.4
313.07233	1.1
341.64313	0.3
393.12308	0.4
455.16858	0.3
491.15485	1.3
491.22073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0988
Annotation	Salvianolic acid C
Peak:m/z	Relative Intensity
54.48837	0.2
59.01240	1.1
59.84518	0.2
60.26715	0.2
60.29386	0.2
61.34645	0.2
61.98692	0.5
68.99683	0.7
71.01254	0.5
72.99185	1.3
73.02810	0.3
82.95277	2.0
85.34045	0.2
89.02305	0.5
91.05391	0.3
93.03317	2.9
95.04900	0.7
96.95878	2.1
101.02291	0.4
105.03335	2.5
105.47787	0.3
107.04881	0.7
108.02048	0.8
108.66364	0.3
109.02777	0.3
117.03329	1.4
119.04906	1.6
121.02889	1.5
123.04395	1.2
132.02069	0.3
133.02831	16.6
134.03621	5.0
135.00462	1.2
135.04395	100.0
135.08917	0.8
136.01540	0.8
136.04716	1.5
137.02293	1.3
138.70512	0.3
139.03908	0.5
147.04433	2.1
151.03894	1.1
161.02306	0.3
163.03908	6.6
163.50220	0.3
165.05438	0.4
177.01848	8.3
178.02646	2.0
178.97371	0.9
179.03410	79.4
180.03745	1.7
189.01250	0.3
239.07111	1.2
267.06619	2.0
269.04669	0.4
269.08298	0.5
311.05655	4.9
312.06253	0.5
313.07217	2.3
403.08408	0.3
431.22406	0.4
435.66147	0.3
447.07043	0.3
450.96677	0.3
455.17014	0.7
461.16013	0.5
491.17212	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	491.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06102	0.3
51.71693	0.3
59.01243	3.3
61.58543	0.4
71.01254	0.4
76.59673	0.4
76.60081	0.4
99.49323	1.2
99.50027	0.9
101.02323	0.4
104.39694	0.4
115.30496	0.4
151.00270	1.3
174.03128	1.4
177.01799	0.5
198.44800	0.4
202.02660	2.2
203.03459	1.0
214.02530	0.6
230.02161	5.8
231.02937	0.5
235.70135	0.5
241.01448	1.1
242.02249	1.3
243.03015	1.3
258.01685	11.2
259.02505	2.2
269.00882	1.1
270.01538	2.0
271.02487	2.1
273.03943	0.7
284.03293	0.9
285.03958	0.5
286.01202	29.8
287.01971	4.0
298.01160	0.8
299.02103	0.5
301.03555	17.5
314.00757	5.0
315.01492	9.7
315.05185	0.7
329.03043	100.0
329.18439	1.0
330.03802	14.8
344.05411	14.2
345.06168	15.2
387.06760	0.4
476.09702	0.7
491.11972	85.1
492.12341	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	491.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12278	0.3
58.22596	0.4
59.00970	0.7
59.01242	8.9
61.98691	0.5
62.61590	0.4
71.01242	2.3
75.37626	0.4
79.02932	0.5
83.54710	0.5
85.02817	0.7
89.02303	3.6
96.95905	0.7
101.02291	1.9
101.95428	0.7
101.95978	0.7
102.11610	0.7
107.01233	0.6
113.02317	1.1
119.03355	0.7
125.02344	0.8
151.00262	1.8
161.04434	1.5
163.00334	0.6
174.01581	1.3
174.03145	1.4
195.10202	1.2
198.03110	0.6
199.03958	1.1
202.02667	3.3
203.03105	0.5
213.01837	2.7
214.02693	1.7
215.03461	1.3
219.08234	0.5
229.01286	0.6
230.02176	7.8
231.02933	0.6
241.01399	10.0
242.02187	27.3
243.02928	4.8
257.00830	3.0
258.01697	25.9
259.02457	2.5
269.00955	4.1
270.01730	13.7
271.02499	4.0
272.03271	5.0
273.04065	29.7
274.01309	0.7
274.04514	1.2
285.00323	0.6
285.04141	1.0
286.01212	20.2
287.01990	5.8
287.05621	6.8
298.01132	2.0
299.02081	2.6
300.02945	1.1
301.03561	24.9
302.03986	0.9
314.00677	2.2
315.01474	11.2
315.05142	4.3
316.05847	9.2
317.06531	0.6
329.03040	34.6
330.03796	13.0
340.17612	0.6
344.05389	58.1
345.06161	53.5
345.10623	1.0
346.06482	1.6
387.07431	0.8
431.22812	5.3
491.11990	100.0
492.12292	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	1.8
57.72031	0.4
59.01244	0.6
69.03326	4.6
71.01237	0.7
71.04882	0.7
72.99168	18.2
73.02808	2.2
82.95264	3.7
85.02810	3.5
87.04446	0.5
96.95858	0.5
97.02809	7.6
99.04354	0.6
107.04906	1.2
108.02009	0.6
109.02783	1.1
113.02308	53.6
114.02645	0.8
121.02812	0.6
125.02316	47.3
126.02641	0.6
134.03606	1.4
135.04399	3.9
136.44704	0.5
139.03830	0.5
141.01804	4.5
143.03336	1.6
145.02850	0.5
146.03600	0.7
147.04404	0.9
149.05951	1.4
151.11192	0.8
160.05267	0.7
161.02321	0.5
165.05492	1.7
174.03119	1.6
175.03905	1.2
179.10672	1.3
181.12297	0.6
191.10661	0.5
193.04976	2.0
193.12299	1.1
204.11444	1.1
207.10219	1.0
209.04489	1.0
215.14374	1.4
217.16165	0.8
225.11287	0.8
231.10287	1.9
232.11009	3.1
233.15460	1.1
243.14078	2.6
249.11427	0.7
249.14694	0.6
259.13440	1.6
261.14975	4.0
275.12912	1.0
277.14590	0.9
287.12933	2.4
294.84894	0.5
295.09949	0.9
305.14001	2.6
309.09714	0.8
349.12900	3.4
367.13998	100.0
368.14383	3.2
395.13461	10.8
396.13889	0.6
405.12042	1.1
423.13013	40.1
424.13419	1.9
491.12814	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	491.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01230	0.6
71.01229	0.5
73.02792	0.2
75.00752	0.3
75.56400	0.2
78.21235	0.2
82.95280	0.8
91.72709	0.3
99.29930	0.2
102.82381	0.2
108.02021	0.3
109.02788	0.6
121.02820	0.5
123.04362	0.4
133.02849	0.3
135.04391	0.8
136.01527	0.5
137.02354	1.5
151.03905	1.1
152.01039	0.5
161.02388	0.3
162.03157	0.6
163.03896	0.9
165.05464	0.8
177.05508	0.5
179.03406	0.6
185.02400	0.5
186.03140	0.3
199.03911	0.4
200.04747	0.7
211.03983	0.5
213.01901	1.5
213.05560	0.5
214.02631	0.8
215.03375	0.5
224.04770	0.4
225.05472	0.9
227.03493	2.4
228.04095	0.6
229.01389	2.1
237.05573	0.6
239.03464	0.4
240.04320	0.6
241.01396	2.0
241.04987	1.0
242.02129	2.6
243.03000	0.9
244.03571	0.3
245.00854	0.8
251.03482	0.9
252.04428	0.3
253.04968	0.6
255.02962	1.4
256.03772	5.8
257.00998	0.4
257.04462	0.5
261.36551	0.3
265.05109	0.7
267.03015	0.8
267.06720	0.4
268.03769	1.7
269.04587	5.2
270.01724	8.1
270.05304	2.7
271.02505	3.6
273.00327	1.6
279.03030	1.1
279.06360	0.3
280.03671	0.5
281.04559	2.7
281.07874	0.6
282.05252	0.9
283.06143	3.4
284.03247	0.5
285.04059	12.7
288.02725	0.9
289.91678	0.3
292.03717	0.6
293.04587	1.0
294.05392	0.9
295.02710	0.4
295.06149	3.5
296.03247	2.9
296.06747	1.2
297.04178	4.3
297.07578	0.9
298.04849	2.4
299.05789	0.5
302.04306	1.1
307.06244	0.3
309.04257	0.6
309.07635	3.9
310.04770	0.9
311.02106	0.5
311.05643	6.9
311.09106	0.6
312.06372	0.6
313.07193	1.1
323.05627	1.1
324.06290	0.6
325.07123	1.8
339.08713	1.1
373.07199	0.4
405.09933	0.3
416.09091	0.4
417.09814	1.3
420.12158	0.5
433.03604	0.5
433.09262	6.4
445.09445	0.6
446.09830	0.4
447.10971	1.1
448.11722	0.5
458.10132	2.1
461.08633	2.5
475.10300	2.1
476.11169	16.5
477.11533	0.7
491.13510	100.0
492.13901	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	491.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	0.4
57.03291	0.5
57.15159	0.7
57.15400	0.4
59.01236	2.2
66.35519	0.9
66.35838	0.8
67.01707	0.4
68.99643	0.9
71.01186	1.2
73.02782	0.9
80.02468	0.4
81.03316	4.9
83.00797	0.6
83.01237	7.4
83.04795	0.4
85.02802	1.0
91.72710	0.8
93.03280	1.4
95.01202	1.7
95.04880	4.5
97.02818	3.1
97.42763	0.3
99.04341	1.6
107.01217	0.5
107.04858	1.2
109.02763	1.8
109.06429	0.9
111.00714	0.4
111.04408	2.1
113.02293	0.9
119.04855	1.5
121.02774	2.0
121.06435	1.0
122.03635	0.5
123.00730	0.7
123.03522	0.6
123.04385	11.7
125.02320	9.5
133.06461	0.7
135.04373	2.5
137.02345	3.0
137.04962	0.5
137.05954	8.0
138.03087	0.8
138.82265	0.4
138.97888	0.4
139.03883	6.9
141.05446	0.9
147.04361	1.3
149.02327	1.7
149.05934	1.8
151.03915	3.0
151.07513	0.4
153.05379	1.8
155.03366	0.9
161.06009	1.9
163.03929	3.0
163.07549	0.4
164.04657	1.4
165.01833	2.5
165.05467	3.2
167.03401	24.3
175.03874	0.6
177.01837	0.8
177.05429	1.5
179.02144	0.5
179.03435	6.3
179.06987	1.7
180.04156	1.9
181.04948	2.9
189.05490	1.7
191.03416	1.5
191.07063	0.7
193.04993	4.6
194.05811	0.8
195.06590	0.8
197.04474	3.6
205.04951	1.0
207.06541	1.6
209.04500	39.2
210.04823	0.9
219.02881	1.2
219.06653	1.0
220.03616	0.7
221.04521	10.8
222.05133	0.4
223.06091	1.5
224.38588	0.4
233.04512	1.3
235.06050	1.8
239.05588	13.2
248.03238	1.2
249.04076	0.5
251.05597	100.0
252.05922	2.2
263.05597	4.6
265.07187	1.5
269.06638	1.2
279.05124	0.4
281.06677	63.2
282.07010	1.4
293.06641	3.3
295.08203	0.6
305.06592	4.0
311.07736	18.1
323.07770	1.3
335.07510	0.6
341.08682	0.7
353.08817	5.2
371.09869	13.5
383.09863	3.9
401.11057	1.7
473.13330	1.4
491.13959	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84507	0.5
58.00461	1.2
59.00027	0.7
59.01244	40.8
60.01593	0.5
69.03312	3.5
70.99659	0.6
71.01242	43.2
71.02634	0.7
71.03001	0.6
72.99150	1.5
73.02805	6.8
75.00729	1.7
81.03316	3.8
81.03706	0.6
83.01247	2.9
85.02822	4.0
87.00726	1.6
89.00089	1.0
89.02300	65.6
89.04774	0.8
95.01237	1.2
96.01063	0.7
97.02811	8.1
99.00738	10.0
99.04372	1.7
101.02298	9.3
106.04114	1.5
107.04886	0.7
111.00735	0.9
111.77940	0.6
113.02302	4.2
115.03864	6.3
117.01810	0.5
119.03395	1.4
119.04906	2.7
123.04427	0.5
125.02319	34.0
126.02670	0.8
127.03866	1.2
131.03360	6.8
135.26961	0.5
137.05962	32.5
143.03383	2.5
149.04442	11.5
161.04468	1.4
173.04485	0.9
175.06056	0.6
191.05557	8.2
194.17366	1.2
196.99474	0.6
197.04449	0.8
207.14822	0.6
233.06621	26.3
275.41830	0.7
293.08804	100.0
294.09183	2.5
412.67258	0.6
431.15567	13.2
432.16373	0.9
441.81406	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.3
57.03305	2.5
58.36517	0.8
59.01241	32.8
62.03864	0.7
62.86861	0.7
66.37369	0.7
69.03332	1.4
71.01239	54.6
72.99170	2.8
73.02802	18.6
75.00724	1.3
83.01241	9.3
85.02807	26.1
87.00726	3.2
89.02294	12.5
93.15529	0.8
95.01236	4.2
96.95875	1.5
97.02829	2.3
99.00735	8.0
100.99696	0.8
101.02303	53.7
109.02814	0.9
111.00804	1.1
111.07146	0.7
113.02306	25.2
119.03371	4.3
125.02334	4.6
129.01804	1.4
131.03377	0.9
134.64464	0.8
135.04391	1.7
137.02341	1.1
143.03419	4.1
148.66293	0.9
159.02887	6.1
161.04448	29.8
175.04007	1.1
179.03429	1.9
179.05511	2.1
201.14787	1.3
205.03506	0.8
245.06610	1.3
263.07697	1.7
269.10318	30.3
269.13226	1.7
270.10748	1.1
300.27258	1.0
323.10049	1.1
379.48508	1.5
431.15610	100.0
432.16031	4.5
491.17569	3.1
499.40115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1926
Annotation	cis-2,3-Dihydro-2-(4'-alpha-L-rhamnopyranosyloxy-3'-methoxyphenyl)-3-hydroxymethyl-7-hydroxy-5-benzofuranpropanol
Peak:m/z	Relative Intensity
51.41547	0.4
55.16316	0.4
56.97868	0.4
57.03302	0.9
59.01248	3.9
71.01248	2.4
73.02785	1.1
75.00729	2.6
76.86761	0.7
76.87143	0.5
85.02818	1.3
89.02287	1.7
93.03300	0.6
96.95882	1.1
99.04381	0.7
101.02336	2.4
108.02052	0.9
111.00750	1.0
113.02331	0.9
114.08160	0.5
116.94570	0.5
121.02818	3.1
123.04394	0.6
125.02306	2.0
131.03355	1.0
131.72269	0.5
135.04391	1.3
137.02325	0.8
145.02852	1.6
147.04427	1.0
149.05986	0.8
152.01050	1.5
159.04346	0.7
160.05200	2.2
161.04492	1.2
161.05836	0.8
166.06284	0.5
167.03448	3.7
167.07028	1.3
173.04465	0.8
175.07576	1.1
177.04015	0.5
179.05463	0.5
179.07109	0.5
180.04311	0.7
181.66884	0.5
191.27103	0.6
199.07339	0.6
204.99768	0.7
209.06105	0.8
211.07639	0.8
212.04750	0.7
225.09181	1.0
227.07104	1.5
237.05627	0.9
238.06268	0.9
240.04312	1.6
240.93050	0.6
247.21439	0.5
251.07187	1.3
252.08136	0.8
253.05202	0.7
255.06650	7.1
256.07297	1.3
256.11047	2.2
265.08755	0.9
267.06631	1.8
269.08231	6.9
282.09042	1.1
283.02591	0.7
283.09735	3.2
284.10516	2.8
295.09778	1.7
296.10461	3.3
297.11310	1.4
299.09262	3.7
299.12930	5.6
300.10037	37.6
301.10251	0.9
305.06873	0.6
310.08459	0.5
311.09265	6.9
312.10052	12.6
313.10651	0.6
315.12408	100.0
316.12555	3.4
317.10413	0.8
324.62662	0.6
327.12396	23.1
328.12585	0.7
345.13519	2.3
386.66623	0.6
431.22928	3.4
491.21176	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63429	0.3
57.03300	0.5
59.01244	0.4
60.35866	0.3
62.98152	0.4
78.95757	2.3
97.06439	0.9
99.08022	0.5
101.05939	1.2
123.04368	1.8
125.05940	1.1
146.03592	0.4
149.05971	0.4
149.85504	0.4
152.99464	4.2
161.05989	1.2
161.61845	0.4
163.07547	0.6
172.05235	0.5
173.05989	1.4
173.68219	0.4
185.06084	0.5
187.03859	0.6
197.06099	0.5
212.04817	0.6
213.05476	0.6
217.12271	0.9
221.93527	0.5
223.07660	0.6
224.08400	0.9
226.06444	0.6
231.10312	0.7
233.11778	0.7
236.08437	0.5
237.09131	1.1
238.06281	0.8
239.07021	0.8
245.11819	4.0
251.07063	1.0
252.07936	0.7
253.08842	0.5
253.62254	0.4
255.10269	0.6
257.11819	1.0
259.09790	1.3
261.09262	0.5
265.08685	1.1
266.09647	0.7
271.09885	0.5
273.07870	0.5
278.09338	0.5
279.06967	0.4
279.10272	1.4
280.11127	0.5
281.11969	0.8
282.12817	0.7
289.08527	0.7
291.06845	0.5
293.08337	1.2
293.11887	1.5
294.12180	0.7
295.09775	1.3
295.13269	0.7
303.10309	0.5
305.08167	0.5
305.11816	0.6
306.08783	1.2
307.09729	6.8
307.13168	0.7
308.10519	2.9
308.14026	1.0
309.11389	0.6
319.09668	0.7
321.11328	12.0
322.12000	2.7
323.12958	2.5
335.12976	1.1
335.16733	0.7
346.12241	0.6
347.09155	0.6
348.10049	1.6
349.10828	2.0
363.12329	0.9
377.13931	0.5
379.19052	0.7
389.17621	1.2
391.15582	5.3
392.16431	2.6
405.17108	0.6
406.17874	2.5
407.18698	9.5
434.17590	0.6
447.25302	1.3
473.23563	1.3
491.24445	100.0
492.24802	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	491.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71649	1.1
57.03322	1.9
59.01250	3.7
59.61874	1.1
65.44865	1.3
66.03737	1.1
78.95783	4.2
85.02841	2.7
87.00723	1.2
101.05978	3.0
102.17972	1.3
109.02751	1.2
123.04419	3.4
123.08038	6.8
152.99585	3.5
171.08127	1.8
175.04077	1.6
185.06119	2.0
189.12852	4.2
199.11288	2.2
202.06406	1.8
203.10730	2.1
211.07626	1.8
217.12436	4.6
231.08188	1.6
231.10156	7.5
241.75893	1.8
243.53003	1.6
245.08499	1.3
245.09644	1.9
245.11856	11.6
247.13475	1.6
249.09456	1.5
259.09793	13.2
263.10742	1.9
269.11841	2.2
271.13412	12.0
277.08704	1.5
277.12451	2.2
281.11896	2.7
283.13770	2.1
291.10260	1.6
293.08383	2.0
295.26703	1.6
305.08530	1.8
305.11984	5.2
306.08978	1.6
306.12686	2.2
307.09317	2.5
309.15179	5.1
319.13513	3.1
321.10809	3.2
321.14877	1.8
323.16687	2.6
333.14755	1.8
334.16022	3.4
335.16678	4.5
347.16708	4.0
361.18216	3.2
363.19763	2.6
375.16431	3.9
389.17529	3.0
390.18369	16.6
391.19556	3.1
403.18912	2.6
405.16437	2.4
405.21317	3.8
406.17325	5.3
407.18469	2.1
429.24661	2.8
447.25507	100.0
448.26166	3.3
473.23471	8.2
490.23676	4.6
491.24274	52.0
514.87683	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42684	2.0
65.21976	2.3
68.27510	2.4
79.36895	2.3
88.79392	2.7
103.01277	2.8
117.28405	2.5
123.04422	6.6
142.06361	2.9
159.04451	4.6
161.05994	3.4
163.07552	7.1
173.05983	5.8
202.06290	3.0
202.09883	3.3
215.10727	4.7
217.12299	14.1
233.11795	16.0
245.11806	100.0
257.11819	16.6
258.12741	4.4
259.13409	3.7
373.14517	7.7
391.15610	6.0
392.16174	5.4
407.18881	5.9
473.23376	9.6
491.24393	59.8
492.24814	4.1
494.31033	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	491.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72260	1.0
56.32924	1.1
57.03325	2.3
58.48651	1.0
80.80457	1.0
84.58637	1.5
85.98716	0.9
87.45847	1.0
90.33608	1.0
95.33944	1.0
97.06476	4.6
99.08052	1.5
122.03558	1.5
123.04401	4.4
123.08070	1.7
125.05968	8.0
134.02452	1.2
135.08067	5.3
147.04407	3.7
148.05223	1.5
159.04425	1.9
163.07545	27.3
172.05215	1.4
185.05983	1.3
186.06693	1.7
188.04767	2.2
191.10640	1.3
201.12892	2.8
203.10701	5.9
204.07858	1.6
215.10812	1.3
217.08626	1.3
217.12387	2.0
219.13824	5.9
229.12309	11.0
230.09547	2.5
231.10245	29.8
233.12024	1.3
243.10252	16.3
245.11942	7.1
247.13385	91.0
248.13737	2.7
257.11893	8.4
304.51431	1.3
363.93393	1.3
365.17484	5.7
374.15350	1.8
389.18076	2.0
391.15573	7.4
392.16418	2.1
407.18341	2.3
415.26660	1.4
463.25043	2.3
473.23535	9.2
491.24442	100.0
492.24576	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	491.2441
Annotation	nymphaeol C
Peak:m/z	Relative Intensity
54.75603	2.0
65.75337	1.9
67.29858	1.7
75.45642	1.9
89.46429	2.1
125.87203	8.4
126.87943	3.0
127.86935	3.4
128.87680	4.0
159.85910	3.2
163.43510	2.5
184.87668	2.5
202.88647	6.7
220.85278	5.7
245.11842	19.0
256.64462	2.5
276.80179	2.3
308.14746	2.7
335.12897	3.5
364.13226	2.6
379.19342	8.6
381.10522	3.1
382.10730	8.2
383.10236	10.4
407.18613	5.6
415.95911	2.6
455.13770	4.7
456.13367	8.0
463.25079	8.7
491.24417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18008	0.2
56.99675	0.2
57.03315	1.0
58.00468	0.8
59.00171	1.1
59.01243	100.0
59.02478	1.7
60.34888	0.2
61.98706	0.3
62.01084	0.2
64.78810	0.3
65.08027	0.3
69.03320	1.0
71.01239	28.1
71.02860	0.7
71.04877	4.3
72.99178	0.9
73.02805	33.9
73.04491	0.6
75.00742	0.6
79.89388	0.3
79.93876	0.3
81.03317	3.8
82.84365	0.3
83.01239	9.4
83.04897	0.9
84.02036	0.5
85.02800	7.2
86.89652	0.3
87.00737	2.3
89.02300	17.3
95.01215	1.9
97.02814	3.2
99.00741	2.5
99.04373	3.3
101.02304	33.4
101.05040	0.5
107.04863	0.4
109.02804	0.3
113.02307	14.2
115.03877	25.2
119.03371	8.1
119.04824	0.4
125.02322	2.0
126.03098	0.9
131.03345	2.2
133.55946	0.3
137.09605	0.8
139.03874	0.6
139.11179	1.8
140.04672	0.4
143.03389	3.5
145.02859	0.4
149.04448	1.5
151.11238	0.4
153.12746	0.6
155.03421	1.0
159.02917	0.4
161.04448	7.6
161.05804	0.5
163.11153	0.6
165.12741	0.7
175.14807	1.9
179.05550	2.5
181.12273	1.1
191.14352	1.4
193.15913	13.0
203.05562	0.6
209.15402	0.7
217.15839	0.4
219.13951	1.0
237.14943	16.2
239.16454	0.5
255.16011	10.5
279.15912	1.6
297.16824	1.8
309.17087	0.4
351.18240	0.4
399.20261	12.1
417.21350	11.2
418.21521	0.4
432.06137	0.4
449.23914	0.4
459.22369	3.9
477.78143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29684	0.1
56.92042	0.1
59.01240	1.3
59.19973	0.1
61.98687	0.4
71.01231	0.6
71.98786	0.1
73.02789	0.2
78.95758	0.1
85.02809	0.1
87.00725	0.2
88.03895	0.3
89.02290	0.4
91.33534	0.1
92.02525	0.1
96.95845	0.1
99.04449	0.1
101.02314	0.3
107.98761	0.1
108.02026	6.3
113.02293	0.2
115.00244	0.3
125.02380	0.3
128.03413	0.2
137.97125	0.8
138.01846	100.0
138.06041	1.2
139.02180	1.0
139.47983	0.1
143.04483	0.3
148.59317	0.1
160.03984	0.1
161.04468	0.2
170.41759	0.1
175.02397	0.4
210.08871	0.1
251.05635	0.1
259.02405	0.1
276.91812	0.1
282.07016	0.2
306.07715	0.4
366.47818	0.1
432.23254	0.2
492.13388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88525	0.6
59.01244	10.4
60.01590	0.5
60.93222	1.8
60.93493	0.9
61.98706	3.3
71.01239	1.6
73.02806	0.8
78.95772	1.1
80.61709	0.7
89.02286	1.3
91.73462	0.8
101.02333	1.0
101.50851	0.7
102.52681	0.7
115.03899	1.0
117.03333	22.5
118.04139	3.3
119.04894	43.9
121.02833	5.7
123.04411	1.7
133.02824	2.4
134.03577	1.7
135.04402	0.9
145.02838	100.0
146.03223	0.9
161.02382	1.6
162.03116	2.5
163.03912	32.1
167.82039	0.7
258.69824	0.9
285.20737	1.4
328.24918	3.5
330.26447	0.9
346.26001	8.5
403.24979	2.8
433.25949	15.4
445.25964	10.1
457.26028	9.9
462.28641	23.5
474.28580	15.1
492.29691	82.5
493.30051	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83504	0.6
58.64986	0.8
59.01247	5.1
59.91679	0.7
60.01582	1.3
66.68999	0.7
67.01754	1.6
67.69948	0.7
69.93864	0.7
71.01235	3.8
73.02808	1.2
77.40677	0.8
79.95594	14.7
80.96381	2.7
81.03327	1.2
85.02789	2.3
89.02294	1.9
93.03331	3.1
95.01249	5.7
95.95084	20.6
96.93285	1.6
96.95869	100.0
97.02814	1.3
99.00770	1.0
101.02311	2.7
106.04109	1.1
107.04893	2.1
107.69764	0.8
108.02036	6.2
108.25681	0.9
109.02815	5.7
110.97472	1.5
111.00733	1.5
111.04402	1.5
113.02311	1.0
121.02829	8.3
122.03609	1.0
122.97456	2.2
123.00744	9.9
123.04369	4.5
124.01563	1.9
125.02319	9.0
126.02656	1.3
133.02859	1.4
135.04395	8.1
136.01591	1.6
137.02332	5.2
138.03146	0.9
138.96968	1.4
139.00275	2.8
139.03900	2.5
140.01050	2.6
141.01848	0.9
141.95674	1.8
145.02882	1.9
149.05943	1.1
150.03146	1.1
151.00302	2.1
151.03949	2.1
152.01027	14.2
153.01826	6.7
155.03401	4.1
158.30295	0.9
161.02370	2.0
162.03197	1.1
163.03897	1.2
164.01004	1.5
165.01828	6.4
165.05533	2.3
165.98990	2.3
166.99731	7.7
167.03407	18.2
167.07022	4.6
168.00473	0.9
169.01369	1.2
177.01929	1.5
177.05550	1.2
179.03389	10.9
179.07098	1.2
181.01300	4.7
183.02924	2.6
195.02997	1.9
199.02428	4.6
203.03470	1.3
204.99896	1.8
205.55449	0.9
207.02965	1.8
219.06596	2.0
226.06383	1.0
253.05122	1.6
254.05923	3.9
255.05014	0.9
269.08145	1.3
275.02365	4.0
283.02588	1.1
287.06317	1.0
287.09265	5.5
293.03403	5.3
298.04837	1.4
301.10751	9.5
305.06680	18.0
306.07043	2.2
307.07330	2.0
308.10925	1.2
313.07193	11.1
313.10876	18.0
331.08270	3.5
335.07669	1.4
343.08005	1.3
364.08002	2.3
406.06848	1.2
423.95053	1.0
429.04739	1.7
443.06384	3.1
444.07126	1.0
455.13916	1.4
459.05533	1.1
461.03830	1.2
463.16290	1.3
475.11438	1.3
475.16776	1.5
493.06525	2.4
493.13675	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	493.099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77431	1.0
53.91922	1.1
54.26382	1.0
59.01234	10.1
69.03289	1.2
71.01247	15.1
72.99171	1.8
73.02818	1.3
75.00752	2.3
82.02747	1.3
83.01263	2.3
85.02800	2.8
85.43218	1.4
87.00724	23.8
89.02277	2.0
91.73387	1.3
93.03344	2.0
96.95854	9.2
97.02831	1.7
99.00719	1.8
101.02311	2.5
102.20419	1.3
105.88393	1.3
109.02807	8.0
111.00791	2.0
111.04373	4.9
113.02305	2.8
115.00232	49.1
121.02780	2.8
123.00713	3.1
123.04362	2.7
125.02319	28.5
131.34138	1.4
133.02864	1.6
133.04929	3.6
135.02859	4.3
135.04427	1.8
137.02315	19.8
139.00275	2.1
139.03920	10.8
139.04842	2.0
147.04395	1.5
149.02325	13.2
151.03894	4.6
153.01811	2.1
157.01363	2.5
161.02319	2.5
163.00278	4.2
163.03851	3.1
165.01843	5.0
166.02452	1.4
167.03410	13.5
175.02386	100.0
176.01128	2.7
176.02802	2.4
177.01837	14.4
177.05504	1.8
178.02504	1.4
179.03345	3.6
181.05034	2.0
187.06100	1.6
189.01883	1.8
190.02625	1.5
191.03412	8.9
191.05508	5.8
193.01419	3.0
203.03403	1.8
205.01297	6.5
207.02924	3.3
213.05461	1.5
217.01414	2.9
229.05045	2.2
231.06599	15.4
235.02429	4.4
243.72372	1.4
247.02362	1.6
247.73685	1.5
273.07742	9.9
281.04315	1.6
299.05652	1.6
305.06693	2.5
317.06641	30.1
331.08060	1.7
345.06097	8.9
345.09836	2.3
347.07617	8.7
357.06268	2.9
373.05383	2.6
375.07251	23.5
377.08667	3.4
433.07523	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.099
Annotation	Myricetin 4'-methyl ether 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
54.00810	0.7
59.01244	18.6
61.39524	0.8
61.98693	4.6
65.00197	1.5
71.01240	2.9
71.82257	0.8
73.02811	2.2
73.86488	0.9
75.78336	0.9
83.01241	1.4
85.02802	2.0
89.02312	2.4
93.03336	1.6
96.95863	0.9
97.30235	1.3
97.30811	1.1
101.02324	2.5
107.01253	2.2
111.00793	1.5
111.04360	1.3
113.02330	3.0
119.03357	1.2
123.00779	1.0
125.02311	1.8
131.01514	1.2
139.00339	1.3
143.03322	1.1
148.03920	1.8
151.00275	7.1
152.01010	2.0
153.01802	1.1
161.02361	1.0
161.04463	1.1
163.00319	2.4
164.01100	1.1
165.01955	1.0
165.99103	1.5
166.04958	1.8
171.04526	1.0
173.04483	4.1
174.03172	1.2
178.99789	6.1
187.03954	3.8
191.05540	2.2
201.01938	1.8
202.02684	2.9
203.03424	7.9
213.01892	2.4
214.02650	1.3
215.03525	3.2
217.01387	2.4
218.02179	1.2
229.01373	1.7
230.02148	4.8
231.02983	4.8
239.20384	1.1
241.01549	2.2
242.02103	2.8
243.03009	6.6
257.00870	7.5
258.01712	9.4
259.02487	16.9
271.02557	3.7
285.00476	3.9
285.04102	1.4
286.01221	10.6
287.01990	63.1
288.02667	1.3
297.00516	1.7
298.01349	1.7
300.02814	2.7
301.03595	5.7
302.04282	2.1
303.01498	1.6
303.05139	1.7
314.00708	5.0
315.01483	100.0
316.02185	10.5
327.01398	1.3
328.02206	2.9
329.03009	21.1
330.03806	3.0
331.01053	3.1
331.04669	1.9
331.12933	1.1
346.03302	10.1
347.04031	14.5
361.16724	1.4
396.37363	1.3
433.24454	4.0
449.10867	1.8
453.63901	1.2
461.07263	12.4
462.08044	15.2
463.08755	4.4
475.08829	7.5
492.29205	1.4
493.09912	75.4
493.30084	2.0
494.10553	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	493.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69142	0.8
58.00451	2.4
59.01222	2.3
67.01742	0.7
71.01222	0.8
72.99165	21.7
75.00725	1.8
87.00717	1.5
89.02275	1.0
89.05363	0.7
91.68212	0.6
93.03320	9.3
96.95857	4.5
99.00744	1.7
99.97852	0.6
105.27673	0.6
107.04900	7.3
109.02823	2.3
111.04380	1.6
119.04872	1.8
120.99463	1.1
121.02840	2.0
123.04424	1.2
125.02306	1.6
131.04890	1.2
133.02855	4.7
135.04402	8.6
137.02327	1.9
137.05922	0.8
144.57936	0.7
147.04407	1.8
149.05952	5.7
151.00206	1.2
155.03375	1.1
159.04420	1.1
161.02336	3.2
163.03911	1.9
165.05472	49.3
166.05824	1.0
173.04462	13.6
175.03851	0.8
179.01881	1.4
179.03410	21.8
183.00977	0.8
193.05011	10.4
194.05746	4.8
203.03165	0.9
204.99677	1.7
209.04457	1.4
209.08110	8.1
211.06129	1.2
213.35178	0.8
241.00212	1.4
243.06911	5.2
255.05101	100.0
256.05472	2.1
289.07281	1.8
297.05829	0.7
301.07187	0.7
331.08490	3.3
335.07697	2.8
493.06424	1.6
493.13782	4.6
493.19925	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03291	1.6
58.94086	0.7
59.01243	6.6
59.95429	0.7
61.37559	0.7
62.36614	0.7
63.02239	0.7
65.00179	1.7
69.33298	0.7
71.01225	3.8
72.99160	1.1
73.02804	1.1
75.00700	1.2
77.52657	0.7
83.01246	1.5
85.02776	1.4
88.53725	0.8
89.02289	2.7
92.98497	0.9
93.03290	1.5
96.95879	6.4
97.30302	1.0
99.84147	1.6
99.84738	1.0
101.02288	2.7
107.01237	3.4
108.02020	1.1
109.02793	2.9
113.02326	1.9
116.07015	2.0
116.92685	1.8
119.03357	1.3
124.01521	0.9
125.02277	1.3
135.04359	1.4
136.01604	0.9
143.04865	1.3
146.63319	1.0
147.04378	1.2
151.00252	14.5
151.03870	1.9
152.01035	2.2
159.04376	1.0
163.00246	2.4
164.00984	1.8
165.05302	1.0
167.03296	1.1
167.04785	0.9
171.04414	1.7
173.04425	2.7
175.03871	1.2
178.99779	5.0
179.06976	1.7
187.03923	2.6
199.03891	4.3
201.01978	1.1
203.03407	9.2
214.02670	2.0
215.03419	9.0
227.03413	1.5
231.02959	8.7
238.20346	1.0
241.01358	1.8
242.02235	2.8
243.02936	12.3
256.03320	1.2
258.01727	1.9
259.02463	22.3
260.02939	1.6
269.00784	2.1
269.19064	1.8
270.01743	2.4
271.02499	23.5
284.03436	1.1
285.04089	2.5
286.01123	3.8
287.01993	45.9
301.03561	5.9
303.04651	1.3
313.03586	1.5
313.06995	1.2
315.01483	82.0
316.02213	17.0
329.02988	1.3
329.86996	1.5
330.03827	96.5
331.04602	52.6
331.08173	6.0
331.17517	1.3
332.04779	2.0
433.24231	2.5
492.78973	1.2
493.09814	100.0
493.22684	4.9
494.09763	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	493.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38671	0.2
50.69113	1.1
50.69330	0.4
55.75385	0.3
56.37342	0.3
58.00462	2.5
59.01231	1.5
69.16100	0.4
71.01250	0.4
72.97520	0.3
72.99165	20.6
75.00729	1.7
82.62793	0.4
87.00742	0.8
88.98657	0.7
89.02306	0.3
91.00227	0.5
91.72787	0.5
93.03311	4.2
99.00733	1.8
100.24499	0.4
106.04114	0.6
107.04887	7.1
108.02057	0.4
109.02834	0.5
117.03360	0.3
119.04895	1.9
120.01114	0.5
121.02842	2.1
122.03621	0.4
123.04400	0.7
131.04918	1.4
133.02814	4.7
135.04411	3.0
136.01535	0.4
137.05957	0.5
147.04420	2.4
149.02301	0.4
149.05948	4.9
150.03122	0.3
151.03860	0.7
161.02368	0.6
163.03943	1.0
164.99872	0.7
165.05470	47.4
166.05836	0.8
175.03896	1.0
179.03398	14.5
180.03740	0.4
181.04929	0.7
185.05923	1.5
193.04987	11.1
199.03995	0.7
203.10799	0.3
209.04521	1.3
211.06046	0.7
225.05502	0.6
237.99397	0.4
241.05075	2.1
253.05016	0.9
254.94316	1.1
255.05099	100.0
256.05518	2.6
271.06168	3.7
286.08499	7.4
301.10828	16.8
331.11917	5.7
433.24527	0.5
453.37735	0.4
482.99857	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74878	0.3
54.18047	0.3
57.02341	0.4
57.03315	25.8
57.04429	0.5
59.01241	17.1
59.02413	0.4
71.01238	2.6
73.02789	1.3
79.95595	2.1
80.96346	0.8
81.03327	0.3
83.01241	1.3
85.02817	1.8
87.00734	0.3
91.73335	0.5
95.01270	0.3
95.95098	0.4
96.95868	31.6
96.98357	0.4
99.00723	0.4
99.04373	30.8
100.04691	0.7
101.02304	11.0
113.02286	1.5
125.02326	3.0
130.96588	0.5
135.95302	0.3
137.94533	0.5
143.03378	0.7
161.04448	14.4
163.11156	2.7
164.29097	0.3
166.96399	0.4
167.03313	0.5
222.99185	0.7
241.00252	0.7
269.10324	1.7
279.28183	0.3
295.90643	0.3
311.11322	0.7
312.99387	0.6
322.24924	0.3
325.09256	0.4
325.24435	0.9
331.04883	2.7
349.06000	18.1
350.06473	0.9
391.07266	1.1
431.10193	5.3
433.08102	1.4
493.10254	100.0
494.10565	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	493.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.5
59.01232	1.5
60.87407	0.3
65.74503	0.3
67.05109	0.3
67.88895	0.4
68.70915	0.3
71.01243	0.6
96.95864	3.3
99.04379	2.6
101.02286	1.2
113.02373	0.4
120.95730	1.0
120.99518	100.0
121.02821	1.5
121.99843	0.6
123.04398	0.5
133.02812	0.4
134.03609	2.6
138.76514	0.3
145.02818	3.4
147.04424	0.9
149.05951	0.6
150.03084	0.5
161.04439	1.5
163.11221	0.6
165.05406	0.8
177.05397	0.6
178.00818	2.0
178.02586	1.1
181.03181	1.8
193.03194	1.9
193.04996	1.9
195.06543	1.0
211.04277	6.4
240.88446	0.4
264.04193	0.8
265.04962	0.5
292.03787	0.8
293.04544	1.9
299.06061	1.5
327.74435	0.4
330.31424	0.4
331.04880	0.6
337.03638	2.4
349.05945	1.4
454.59509	0.4
475.09061	0.6
493.10257	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1355
Annotation	7,8,4'-Trihydroxy-3',5'-dimethoxyflavanone 4'-O-glucoside
Peak:m/z	Relative Intensity
53.79898	0.8
55.52327	0.7
57.03325	1.0
59.01243	7.8
65.99711	3.2
67.01751	2.8
68.81449	0.7
69.03316	1.0
71.01242	2.5
72.99165	1.6
73.02792	1.3
79.01749	1.3
80.02526	1.0
81.03318	19.5
81.11902	0.8
83.01269	0.9
85.02795	1.4
89.02279	2.9
89.07792	0.9
93.03313	1.0
95.01254	4.2
95.85190	0.8
96.95863	2.0
97.02789	0.9
101.02289	1.7
107.01249	9.4
108.02036	13.0
109.02822	19.1
112.72858	0.7
119.03401	1.4
120.01119	2.4
121.02846	2.8
123.00742	6.8
125.02319	19.8
133.02791	0.8
134.03641	4.6
135.04359	1.3
139.18341	1.0
146.03618	2.6
149.02328	1.6
149.05952	3.1
151.00262	100.0
151.95735	0.9
152.01047	59.2
152.05797	0.8
153.01823	21.3
161.04544	0.9
161.05928	1.8
163.07587	1.2
164.04648	1.4
167.03386	3.0
178.24626	0.8
179.05504	0.9
179.07034	2.2
193.05087	0.9
198.01688	0.9
207.06546	2.1
230.26071	0.9
244.05666	0.8
255.04988	1.1
264.98328	1.1
287.09387	3.0
301.07190	28.7
302.07376	1.2
305.06967	0.8
313.07236	12.1
313.10815	1.5
323.48044	0.9
329.10458	0.9
331.08286	48.0
331.11697	2.1
332.08609	1.5
347.11389	1.6
366.87134	0.8
375.20731	0.8
413.10788	1.2
449.14655	1.0
493.13159	1.6
493.23273	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	493.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22257	0.3
53.56968	0.5
59.01233	1.3
59.09582	0.6
61.89055	0.3
71.01230	1.2
79.52541	0.3
79.93008	0.3
81.45675	0.3
83.62801	0.3
85.02798	0.4
89.02290	0.8
92.36473	0.4
93.03317	3.6
99.73713	0.3
101.02275	0.6
106.04105	0.5
108.02032	1.9
109.02801	0.4
113.02296	0.4
121.02821	8.6
122.03603	35.9
122.07176	0.6
123.00742	1.4
123.04334	0.9
124.01527	7.0
126.54626	0.3
135.04456	0.7
136.01538	19.4
137.02298	1.0
137.05957	1.2
141.00122	0.3
153.01848	1.0
161.04448	0.5
165.01826	3.1
165.05515	0.6
166.02614	33.1
167.03073	0.4
168.00508	0.5
169.26027	0.3
175.70132	0.3
179.03368	0.6
180.04218	0.9
184.03581	0.3
198.01624	31.4
198.08946	0.4
199.01990	0.3
204.99873	0.4
212.03212	1.1
221.08311	0.3
225.05525	0.4
226.06297	0.5
227.07124	3.1
228.07884	6.3
229.08580	1.2
239.10051	0.3
243.10229	8.5
253.04967	0.3
254.05762	0.6
255.05035	0.9
269.08328	0.4
271.06076	2.4
272.06915	5.1
273.07608	0.4
282.05347	0.8
286.08340	0.5
287.09265	100.0
287.22168	0.9
288.09534	2.3
298.04965	0.7
313.07111	1.9
321.90781	0.4
329.10175	1.7
331.12057	0.4
449.14560	18.9
450.14914	0.8
492.89584	0.4
493.13544	20.2
494.13818	0.8
517.23608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29355	1.3
59.01236	5.5
60.58660	1.2
60.60099	1.1
61.98684	4.4
71.01234	4.0
71.08752	1.4
73.02812	1.6
82.95287	1.4
83.01285	1.3
83.32855	1.1
84.94975	9.4
89.02303	4.4
91.72752	2.3
96.95856	3.5
98.95452	1.4
101.02319	4.3
108.02021	10.3
109.02814	56.5
110.52522	1.2
113.02309	2.0
121.02836	5.4
123.04377	4.8
124.01556	1.7
127.72936	1.5
132.02049	2.0
133.02832	5.8
134.03711	1.4
135.04410	11.3
141.50113	1.2
147.00768	5.3
148.01547	3.7
149.04428	2.5
149.05878	1.5
151.03883	10.6
153.01846	5.8
160.01573	3.3
161.02316	3.7
166.06253	15.4
179.03378	7.2
181.08649	5.3
186.12979	1.3
193.04893	1.6
194.28523	1.5
211.03920	2.6
221.08185	1.9
224.04836	3.5
225.05498	2.0
239.03490	4.6
240.04346	4.6
251.03450	1.5
251.07669	1.9
252.04222	2.8
253.05046	4.7
255.10374	1.4
265.05222	1.4
267.06558	2.3
268.03793	21.1
268.06943	2.4
269.04559	8.2
269.08072	2.7
281.08273	3.7
283.06659	9.4
283.09451	10.5
284.06787	2.1
295.06012	2.2
296.03293	28.3
297.04120	17.9
297.07413	2.9
297.11288	1.6
299.09283	6.7
309.07587	9.2
310.08347	2.7
311.05667	79.7
311.09033	4.3
312.06375	26.9
312.09824	1.4
313.07016	2.2
313.10928	3.7
314.11658	3.6
324.10159	4.3
325.07294	4.2
325.10864	3.5
327.08804	19.4
340.09671	1.9
341.10321	2.4
342.11127	23.0
343.11691	2.0
357.09451	1.2
357.13461	33.2
368.09024	3.2
383.11404	13.4
419.26480	3.9
425.74503	1.6
433.03793	2.6
447.22369	10.9
457.19016	1.6
475.13992	5.0
493.15131	100.0
493.30518	5.1
494.15756	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	493.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.5
64.77945	0.3
74.07594	0.3
82.95269	1.3
84.94968	0.8
91.73333	0.4
96.95853	1.4
101.02292	0.3
108.02044	1.3
109.02111	0.5
109.02811	7.5
113.97953	0.3
122.03624	0.5
135.04407	1.0
136.01526	1.1
137.02365	0.6
137.05907	0.3
149.05966	0.4
150.06750	0.9
151.03816	0.4
153.01830	6.8
153.09100	3.8
154.02347	0.3
155.69090	0.3
162.03159	0.7
163.03897	1.0
164.08354	1.2
165.09120	3.2
177.05447	0.8
177.09099	1.0
179.03392	0.7
179.07208	0.4
180.04135	0.3
185.02394	0.3
186.03140	0.3
199.03970	0.5
200.04778	0.6
211.03903	0.4
213.01968	0.5
214.02695	0.7
215.03447	0.4
226.02649	0.5
227.03452	7.2
228.04134	1.0
229.01369	0.5
237.05611	0.5
239.03574	0.4
240.04300	0.4
241.01360	0.9
242.02202	1.3
243.02983	1.2
245.01099	0.4
251.03479	0.3
253.05142	0.4
255.02940	2.4
256.03741	7.5
257.04211	0.6
265.04980	0.7
267.03082	0.5
268.03787	0.7
269.04544	0.8
270.01700	2.3
270.05334	6.1
271.02527	2.1
279.02881	0.4
280.03824	0.3
280.07242	0.8
281.04428	0.6
283.06049	1.4
283.09509	0.3
285.04068	5.3
287.20187	0.7
288.02856	1.8
288.13632	0.4
295.06619	0.5
295.09622	2.0
297.04202	0.5
297.07761	0.4
298.04895	0.9
299.05545	0.4
302.04330	3.7
308.12540	0.4
309.04355	0.5
310.04904	0.7
311.05664	1.8
313.07233	1.2
324.06372	0.5
325.07410	1.8
325.10681	0.6
330.05270	0.4
331.19183	9.6
339.08594	0.5
345.07706	0.6
345.22946	0.4
357.07486	0.3
359.05371	0.3
360.06323	1.0
361.07016	0.7
361.10944	0.5
371.05444	0.5
373.07111	0.5
375.08908	1.9
377.10330	0.3
385.07404	0.4
387.08691	0.8
388.05798	0.9
389.06299	1.8
390.07361	0.5
399.08673	0.5
401.06476	0.9
402.07367	1.2
403.08185	6.2
403.12967	0.5
404.08856	0.8
405.09415	1.5
407.11276	0.4
415.08047	1.1
417.09796	7.2
418.10471	0.9
419.11456	2.6
429.09833	0.9
430.10260	0.4
431.11429	0.6
432.08090	0.4
433.08917	1.4
434.10187	1.3
435.10980	1.5
445.09253	1.0
447.10764	2.9
448.11691	4.7
449.12338	7.2
450.13013	1.3
457.18790	0.3
460.11783	1.9
461.12393	0.8
463.14182	6.6
464.14142	0.5
465.15393	0.9
475.13666	0.5
477.11981	0.9
478.12689	5.3
479.13086	0.4
493.15063	100.0
494.15430	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57502	0.5
55.01749	1.6
55.77758	0.5
56.39747	0.6
57.03323	2.2
59.00106	1.7
59.01243	100.0
59.02531	0.9
61.98700	1.3
66.09237	0.5
69.03328	2.2
71.01240	50.3
71.47865	0.5
72.99184	1.2
73.02805	21.4
73.03201	1.2
75.00728	1.0
81.03329	1.9
83.01237	9.4
85.02805	25.5
87.00729	5.3
89.02299	10.6
91.72649	1.1
95.01250	5.2
97.02798	4.6
99.00741	8.9
101.02305	43.3
103.44722	0.6
111.00776	1.5
113.02303	27.6
114.84288	0.6
119.03365	4.1
124.01539	0.7
125.02309	8.5
125.03119	0.8
127.11202	1.0
129.01839	1.1
129.63881	0.7
131.03406	1.5
133.84537	0.6
136.07669	0.6
139.03922	0.8
143.03389	7.4
144.81464	1.3
153.05573	0.8
159.02872	3.8
161.04446	20.5
179.05617	1.7
180.30457	0.6
191.79547	0.6
203.05666	1.2
205.03552	0.8
221.06743	0.9
227.05585	1.1
245.06683	2.8
263.07834	1.3
269.53452	0.6
289.16592	20.2
305.09146	1.0
323.09906	0.9
331.17862	1.6
385.18781	1.0
433.20804	24.5
434.20728	0.7
451.21869	55.1
493.22797	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.2
57.03299	3.2
59.00080	1.7
59.01242	100.0
59.02553	1.2
61.98693	0.7
66.42053	0.5
67.35941	0.5
69.03316	1.5
70.99702	1.1
71.01238	50.4
72.01569	0.6
72.99171	1.3
73.02804	20.5
75.00727	1.5
80.39104	0.6
81.03326	2.1
83.01238	10.2
85.02803	26.4
87.00725	6.1
89.02293	9.5
91.73337	1.1
95.01241	4.5
97.02797	4.4
99.00741	8.0
100.99731	0.6
101.02300	45.8
111.00751	1.2
112.99274	0.6
113.02305	29.6
115.03858	0.6
119.03389	4.4
124.01601	0.7
125.02324	6.9
127.11211	1.3
129.01843	1.0
129.76213	0.6
131.03392	1.0
135.04442	0.6
137.18457	0.5
137.28819	0.5
143.03358	5.5
144.81458	0.8
145.89885	0.6
149.04555	0.6
153.05521	1.3
155.03503	0.6
159.02904	4.4
161.04453	25.0
163.75383	0.5
178.51251	0.5
179.05592	1.7
203.05582	1.6
216.38924	0.6
221.06784	0.9
245.06731	2.0
289.16568	21.1
305.09045	0.7
307.62018	0.6
315.05353	0.5
323.09827	0.8
331.17853	2.1
373.46646	0.7
385.18661	0.9
433.20798	24.0
451.21878	46.9
452.22574	2.2
493.23108	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07338	0.4
50.09959	0.7
55.01760	0.5
57.03321	3.2
58.00473	0.9
58.99894	0.8
59.01242	76.3
59.02454	1.3
59.04612	0.5
61.98703	1.1
68.70199	0.5
69.03315	2.2
71.01240	39.9
71.02832	0.5
71.04874	12.7
72.99168	1.3
73.02793	5.2
81.03302	3.7
83.01230	4.1
83.04877	2.8
85.02805	11.2
85.06441	0.5
87.00723	1.3
89.02296	47.3
89.04581	0.8
95.01246	3.6
95.04919	0.7
97.02820	4.2
97.06441	10.3
99.00741	2.0
99.04372	5.8
100.99903	0.6
101.02299	28.5
109.06455	1.4
111.08001	0.9
113.02306	17.7
113.05949	0.8
115.03875	67.6
119.02496	1.0
119.03368	22.1
119.08570	0.6
125.02305	1.5
126.03111	1.4
131.03363	1.6
133.93810	0.6
143.03378	3.5
147.11668	3.9
148.25035	1.4
149.04468	1.9
155.10658	3.5
161.04457	8.2
165.12738	2.8
179.05521	9.9
191.14305	1.5
197.11795	0.7
207.13879	1.1
209.15408	19.7
235.13382	4.2
253.14444	28.3
254.14801	0.9
271.15524	40.6
272.15857	1.2
292.18701	0.7
313.16614	3.6
415.19513	0.7
433.20776	100.0
434.20959	3.9
489.67621	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.6
57.03318	0.5
59.00144	1.4
59.01244	100.0
59.02500	1.8
60.01574	0.9
61.98703	1.2
62.74687	0.5
63.57436	0.6
64.11711	0.4
69.03313	0.6
69.46726	0.5
71.01243	21.8
72.99186	1.0
73.02808	20.1
73.04507	0.5
75.00740	0.8
83.01249	4.8
85.02804	4.3
87.00731	1.4
89.02297	19.2
89.04639	0.5
93.03343	1.7
95.01274	1.8
97.02807	1.0
99.00726	1.2
101.02306	23.3
102.02715	0.7
109.06407	0.7
111.04397	1.3
113.02305	13.0
115.03886	1.9
119.03374	7.2
125.02328	1.4
128.03387	0.6
129.05519	0.8
131.03395	1.7
137.02332	1.4
143.03348	3.1
149.04399	2.6
153.09248	0.5
155.03453	1.0
161.04439	7.8
166.02670	0.8
173.04446	4.0
179.05548	2.9
189.07654	1.1
189.80171	0.6
191.87369	0.5
203.05620	0.6
221.06743	0.9
245.17618	2.7
253.25697	0.6
277.00488	0.9
287.09259	1.1
303.04919	2.2
319.08398	1.7
328.72787	0.6
331.17819	1.2
346.86841	0.6
389.21838	11.6
389.26511	0.8
407.22867	13.7
415.19766	0.7
433.20889	3.4
433.24820	2.7
449.23990	17.9
450.24829	0.7
493.13464	0.8
493.23117	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71407	1.0
57.03324	1.6
58.00444	1.4
59.01243	84.9
59.02409	1.7
61.11341	0.8
61.98691	4.6
69.03329	1.7
69.48156	0.8
71.01241	43.4
71.04886	10.2
72.99155	2.6
73.02809	6.5
79.66608	1.1
81.03314	13.6
83.01228	3.5
83.04890	4.4
84.23713	1.0
85.02805	11.6
87.00748	2.1
89.02299	48.4
93.03325	1.3
95.01234	2.2
97.02823	3.9
99.00767	1.7
99.04371	4.0
101.02306	30.3
101.35922	0.9
113.02314	18.8
114.95773	1.0
115.03876	57.5
119.03376	18.5
119.08553	7.2
120.99475	1.1
125.02326	1.9
126.03120	1.9
131.03375	2.7
135.07951	1.5
137.09621	14.3
143.03372	4.1
148.25044	1.5
149.04449	2.9
153.09010	1.7
155.10666	2.4
161.04425	6.7
163.07564	5.0
173.04401	1.2
175.02464	1.3
179.05528	13.7
181.08607	9.9
207.13802	1.3
209.15384	11.5
235.13344	2.9
253.14450	22.1
271.15536	27.8
313.16605	2.7
330.48129	1.1
375.20657	2.1
415.19745	2.4
433.20734	100.0
434.21179	3.1
449.20837	2.5
489.67361	1.3
493.23132	7.3
493.29956	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	3.2
58.00457	1.9
59.00054	1.5
59.01242	100.0
59.02567	1.3
61.98695	2.5
67.01756	2.5
69.03313	3.0
71.01239	50.1
71.04879	8.7
72.99168	1.9
73.02811	3.0
74.97859	0.9
81.03300	7.9
83.01267	2.6
83.04861	1.7
85.02805	12.5
86.00864	1.3
87.00737	3.1
89.00100	1.2
89.02299	68.7
89.04284	1.1
90.14091	1.1
90.83747	1.1
93.03316	1.5
94.41977	1.3
95.01241	2.6
95.04872	1.7
96.95857	1.6
97.02821	4.6
97.06451	1.7
99.04375	5.8
99.08017	7.2
101.02306	33.6
107.04963	1.5
109.06455	11.9
109.48747	1.1
111.04369	1.2
113.02310	22.0
115.03877	57.5
119.03368	31.0
121.06486	2.0
123.08019	29.9
124.08370	1.2
125.02305	3.0
126.03107	2.3
131.03354	3.4
137.09613	5.9
143.03375	6.4
148.24959	1.6
149.04453	2.7
149.05966	1.4
151.00304	3.3
151.07474	1.5
151.11151	2.1
153.05460	3.8
153.12758	2.0
155.10677	2.3
159.10153	1.4
161.04465	7.0
167.07037	3.3
169.12260	1.2
171.04427	1.4
173.13208	1.9
179.05547	15.2
189.12746	2.0
191.05376	1.8
191.14343	20.9
192.14700	1.3
203.03464	4.4
209.15431	14.5
215.03392	2.4
231.02977	3.5
235.13390	6.1
243.02965	4.2
253.14453	45.5
259.02505	6.5
271.02499	7.5
271.15536	23.1
280.93213	1.2
287.01971	11.1
288.02527	1.2
297.86505	1.8
301.03757	1.6
313.16766	1.7
315.01498	25.7
316.01920	6.6
330.03821	30.3
331.04526	17.1
343.61060	1.4
350.20496	1.3
433.20795	99.3
434.20929	6.7
440.09146	1.4
493.09879	33.0
493.30640	1.2
494.10315	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	493.2596
Annotation	Diperezone
Peak:m/z	Relative Intensity
55.64704	0.4
56.49153	0.5
57.03306	1.9
59.01253	0.6
59.98272	0.5
60.35626	0.6
71.04842	0.5
77.16516	0.6
78.95754	2.1
81.03311	1.7
83.04877	1.9
85.02796	2.6
93.03298	0.9
95.01242	1.2
95.04849	0.9
97.06424	0.6
99.08031	3.0
101.05941	0.6
103.28224	0.5
107.04887	1.3
111.92388	0.6
119.04881	2.4
121.06458	1.2
122.03577	0.8
123.04353	1.7
125.09550	1.0
133.06433	5.3
135.04407	3.8
137.05945	1.2
139.11137	2.1
147.04408	0.7
147.08034	2.1
148.05119	0.6
149.05962	1.7
151.11157	0.9
152.99466	3.4
160.05292	0.6
163.11197	1.4
165.09111	1.4
165.12743	1.9
170.07254	0.8
172.05269	0.6
173.06013	2.1
182.91843	0.7
187.03920	1.3
188.04700	0.6
200.04695	0.7
201.05515	1.0
201.12773	1.4
203.10712	1.4
213.12822	3.7
215.10753	0.7
217.12395	1.5
229.12329	1.4
231.10356	3.3
231.13869	18.7
243.10216	7.5
244.10968	4.5
245.11862	2.7
247.09821	1.0
247.13422	1.1
249.14784	0.7
255.10391	0.7
257.11816	4.9
259.09683	1.3
269.12073	0.8
281.11835	1.1
294.16660	2.5
297.15012	1.3
307.13425	0.6
309.15067	0.6
311.16440	1.4
323.16553	1.2
326.15604	8.6
328.15759	1.4
335.16171	0.6
347.16534	1.1
359.16608	0.9
365.17502	0.9
367.19235	1.0
370.75214	0.7
373.18207	0.8
375.15955	0.9
376.16690	1.3
381.20773	1.3
391.19342	1.2
400.16907	1.2
449.27014	0.9
455.26505	2.6
457.23557	3.6
475.25214	6.9
493.26001	100.0
494.26465	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	493.2599
Annotation	Netzahualcoyondiol
Peak:m/z	Relative Intensity
59.01231	4.6
69.88721	3.6
71.31967	3.2
78.09406	4.0
78.95747	11.5
85.02811	4.6
101.05911	5.6
117.37069	3.6
123.08043	7.1
124.64986	4.1
135.04341	5.8
144.39146	4.3
152.99477	17.5
172.05235	4.1
200.08676	4.1
215.10760	3.7
217.12321	5.4
220.85370	5.6
229.12274	23.8
240.90422	4.3
245.11830	28.5
259.13333	6.4
266.84750	4.7
273.64984	4.1
329.28799	4.4
435.25177	8.8
447.25427	5.7
457.24005	8.6
463.25146	13.8
475.25024	29.0
478.69775	4.8
493.25977	100.0
494.25977	5.2
509.76248	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	493.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13126	2.4
57.03311	7.8
59.01247	3.5
61.24030	2.9
78.95789	6.3
83.04862	5.6
91.72721	4.1
93.03301	6.7
95.04871	2.7
97.02818	4.6
97.06437	3.3
99.08010	14.1
101.05932	10.9
107.04868	7.0
112.01319	3.1
115.19726	3.2
116.17767	2.7
118.27703	2.7
119.04919	5.4
121.02902	3.7
121.06433	2.7
123.04398	5.1
123.08027	14.1
130.04135	5.2
130.74571	2.9
131.04883	5.1
133.06508	15.9
143.04927	7.5
144.05682	5.2
145.06465	9.6
146.83626	3.3
147.04343	5.2
147.08049	17.3
148.05110	4.4
149.05988	9.7
149.09578	3.5
152.99457	5.6
157.06505	14.8
159.08025	3.1
160.05193	6.3
161.05945	4.2
163.07565	7.4
165.09132	3.4
170.07410	3.5
171.04456	8.3
172.05130	9.0
173.05945	4.3
173.09589	4.0
175.11197	4.9
185.06035	17.1
186.06789	15.2
187.11186	5.4
188.04695	5.6
195.10175	4.5
197.05974	6.4
198.06831	11.9
199.07654	9.2
199.11130	6.0
201.12718	3.1
203.10666	14.5
205.12256	11.9
211.07597	4.2
213.12787	6.9
215.10674	27.8
217.12306	44.5
219.14012	3.3
229.12303	89.2
231.10257	47.8
231.13817	25.8
233.11806	40.9
239.10689	3.5
241.12328	52.3
241.14590	4.4
243.10312	6.6
243.13875	26.8
245.11833	63.0
247.13409	38.9
251.10222	3.8
257.11829	11.8
259.09952	16.1
259.13324	18.1
267.13956	7.6
325.18567	4.6
357.14896	23.8
358.15997	18.9
373.17993	11.3
375.16238	18.4
391.18835	6.2
429.24878	4.9
439.22754	5.2
445.23938	15.8
449.19675	5.2
449.26929	5.8
457.23849	74.5
463.24899	53.2
475.25006	100.0
493.26242	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	493.26
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	6.5
65.64038	2.9
66.22234	2.8
72.54233	2.9
78.95758	11.9
99.08014	8.2
107.04919	4.0
121.02788	3.6
123.04448	5.4
127.07414	3.7
135.04449	7.9
137.09813	3.2
147.08118	4.1
152.52647	3.8
152.99487	18.0
163.07547	3.8
167.01396	4.7
173.05978	5.9
187.07701	3.7
191.03400	5.4
201.05479	7.5
201.13002	3.9
215.10757	4.5
217.12332	12.6
225.48145	3.9
229.08746	3.9
229.12303	10.8
231.10205	9.2
231.13910	7.9
241.12283	4.7
244.11037	37.4
245.11795	42.3
247.13428	8.5
249.14603	4.1
259.09732	11.6
435.25177	8.0
449.27161	19.7
457.23975	6.9
474.23398	5.4
475.24771	30.1
492.24722	13.5
493.25937	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08098	0.1
54.56084	0.1
59.01234	0.6
61.97506	1.6
61.98693	100.0
62.00060	1.7
81.95833	0.2
96.17661	0.1
101.02318	0.2
107.01220	0.2
151.00369	0.2
177.39394	0.2
185.06004	0.3
187.03876	0.2
211.03891	0.3
227.03459	7.9
229.05005	1.0
239.03525	0.2
255.02986	10.4
256.03821	1.0
257.04605	0.6
284.03281	12.7
285.04056	11.7
300.02917	0.2
306.76459	0.2
431.09857	22.4
432.10092	0.7
479.85162	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	494.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83976	0.3
56.01426	0.3
57.62630	0.4
59.01242	0.7
59.43976	0.2
61.97512	1.4
61.98693	100.0
62.00062	1.7
63.64956	0.3
64.54889	0.3
66.45912	0.3
71.01264	0.6
85.79394	0.3
89.02311	0.9
96.23396	0.3
96.95883	0.8
101.80390	0.3
115.03870	0.3
125.02254	0.6
129.60414	0.3
137.06032	0.5
158.88832	0.3
183.76062	0.3
204.99846	0.6
228.75600	0.3
267.22073	0.3
293.08878	0.8
294.09314	0.4
295.09424	0.7
364.91116	0.3
485.49194	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81089	0.2
60.07470	0.2
61.97318	1.5
61.98694	100.0
61.99886	1.5
67.43410	0.2
78.95778	1.0
82.03671	0.2
117.03339	0.6
119.04892	1.1
122.93755	0.2
133.02808	0.5
134.03604	0.3
135.04404	0.8
142.35907	0.2
145.02843	4.2
152.99503	2.3
161.02371	0.9
163.03915	1.1
179.03415	0.5
181.87398	0.2
207.65526	0.2
285.20789	0.3
360.52264	0.2
431.24432	8.0
436.28030	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25824	0.9
54.59768	1.1
58.50479	1.1
59.01243	1.5
59.90719	1.0
60.54319	1.0
71.01231	4.5
73.02773	2.0
87.00731	87.4
88.00278	2.2
88.02113	1.4
88.43156	1.2
89.02317	1.8
96.95866	3.0
101.02277	3.4
108.02031	26.5
109.02813	5.3
123.04366	9.3
123.05141	1.3
125.02328	1.6
136.01515	2.6
151.00291	3.3
152.01036	53.0
153.01807	6.3
163.00325	1.5
165.09157	8.9
167.03391	39.2
170.06201	1.5
183.04424	1.6
184.05180	1.8
211.03932	10.1
212.04735	5.3
216.31900	1.4
223.03917	2.5
227.03424	8.1
227.07147	1.5
228.04169	7.9
239.03470	9.3
240.04253	19.2
241.05008	2.6
242.01994	1.4
243.02998	2.7
253.04941	1.6
255.02959	2.9
256.03790	21.6
267.02975	11.4
268.03772	71.9
269.04523	5.7
270.05310	3.1
271.02466	5.5
273.07422	1.4
281.04700	2.0
283.06125	100.0
284.03308	27.0
284.06412	4.2
286.04898	2.3
293.08383	1.8
296.03336	3.1
297.04218	1.7
298.04788	1.8
299.05618	99.5
300.06067	3.2
303.18088	1.7
312.02789	9.1
313.07446	2.1
316.18561	1.9
327.05124	64.3
328.05444	3.2
333.20605	2.6
341.06476	2.6
407.11331	2.0
410.08521	1.6
410.99765	1.4
435.22458	5.1
448.22644	5.5
449.22919	1.6
451.10455	1.7
459.19009	3.1
495.08749	43.8
496.10086	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	495.1148
Annotation	Cedrinoside
Peak:m/z	Relative Intensity
57.03316	8.7
59.01234	3.0
61.59734	0.8
62.10621	0.8
64.15511	0.7
65.00179	3.0
68.99674	0.8
71.01235	1.6
72.99156	2.0
83.01241	6.2
85.02807	1.4
88.45309	0.8
89.02278	1.2
93.03321	2.7
95.01241	1.0
96.95873	2.7
97.02868	1.1
104.24067	0.9
107.01238	7.3
108.02028	2.3
109.02798	6.9
113.02254	1.3
113.26853	0.8
119.04859	1.2
120.81172	0.9
123.00765	2.1
123.04394	1.6
124.01532	3.7
125.02312	100.0
125.05968	1.3
125.73610	0.9
133.02792	1.4
133.86142	1.0
135.04404	1.4
137.02309	6.7
138.03113	3.2
138.06215	1.0
139.03867	1.6
147.04396	1.0
148.01508	2.5
149.02332	6.8
150.03120	3.1
151.00256	44.4
151.03946	1.7
152.01053	9.1
153.01831	19.7
153.05449	1.8
159.04419	2.7
161.02394	1.3
163.00282	7.6
163.03873	1.2
164.01091	5.1
165.01802	3.0
165.05518	2.2
166.02612	2.0
167.03406	5.8
169.01335	3.2
171.04396	1.1
175.03909	2.3
176.01064	7.5
177.01846	7.5
177.05389	1.0
178.99762	23.0
179.03397	4.6
181.01331	1.9
185.05927	1.4
189.05501	4.8
190.02626	2.2
192.00615	3.0
195.04352	0.9
199.03951	1.4
203.03485	4.1
204.04350	1.5
205.04991	2.0
206.02145	1.1
207.02936	8.4
211.03969	3.3
213.05428	1.6
214.02722	1.7
215.03479	1.5
216.04271	1.8
217.05038	1.1
227.03496	3.7
229.04942	4.6
230.02094	1.1
231.03021	3.2
232.03714	3.7
237.03755	1.0
239.03323	1.0
243.02998	2.9
246.05305	2.2
247.06149	3.1
255.02997	4.1
256.03806	5.8
257.04648	3.1
262.07242	1.9
267.03055	3.8
271.02646	1.3
271.06165	1.4
272.03311	2.1
272.05841	1.8
273.03903	1.4
274.04996	1.2
283.02518	4.8
284.03290	3.1
285.04053	33.8
286.04608	1.3
289.06955	1.6
290.06659	2.4
295.02557	1.5
296.03223	1.6
299.02164	1.3
300.02823	17.3
305.06689	16.0
314.04260	2.2
315.05084	84.5
316.05637	2.0
333.06180	80.8
334.06314	1.7
336.69318	1.1
341.05026	7.7
342.05978	1.7
387.05368	1.6
405.06082	5.2
433.05649	17.6
451.06851	12.8
452.12054	3.8
477.10199	4.6
495.05319	1.9
495.11563	15.3
495.19403	1.7
495.66339	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19232	1.0
53.83169	1.0
56.52065	0.9
57.38116	0.9
59.01243	1.8
61.98666	1.6
71.01238	2.8
73.02812	2.0
74.02311	2.0
78.95757	1.2
79.52674	1.2
79.85938	1.1
85.02821	2.1
87.00732	49.3
89.02305	2.9
93.03307	6.1
96.95893	3.5
101.02276	2.0
108.02036	5.1
109.02834	5.8
111.04386	1.4
113.05958	3.7
115.00278	1.6
120.02039	2.7
121.02840	5.3
122.03604	7.5
123.00714	1.6
123.04391	4.8
125.02309	2.5
135.04344	1.5
136.01573	6.2
137.02322	7.0
137.06085	1.8
139.03828	2.0
148.01538	34.5
149.02322	13.8
150.03108	75.0
151.03961	9.7
153.05464	39.9
157.04985	3.7
163.02507	2.8
163.03903	50.6
164.00993	1.4
164.04626	3.0
165.01869	3.2
165.05467	89.5
165.23209	1.3
166.02628	20.8
167.03386	4.9
168.99898	1.5
173.04460	5.8
174.92297	1.6
175.02400	1.8
177.01768	2.4
178.02597	12.1
179.03392	4.3
180.04189	6.5
181.04976	100.0
182.05348	1.6
191.05560	4.0
192.04262	1.7
193.04993	43.8
195.06566	41.2
195.08405	1.9
196.03719	5.2
197.04529	5.0
211.06065	78.2
237.59924	1.5
283.08328	6.6
285.07773	3.8
309.07657	1.9
329.10168	7.6
341.10190	4.7
359.11499	2.1
377.12421	5.3
389.12411	3.0
407.13538	5.9
435.12866	4.8
465.14056	16.3
477.14032	19.8
478.13773	1.9
495.15100	66.9
496.15317	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	495.1511
Annotation	Curculigine
Peak:m/z	Relative Intensity
50.19232	1.0
53.83169	1.0
56.52065	0.9
57.38116	0.9
59.01243	1.8
61.98666	1.6
71.01238	2.8
73.02812	2.0
74.02311	2.0
78.95757	1.2
79.52674	1.2
79.85938	1.1
85.02821	2.1
87.00732	49.3
89.02305	2.9
93.03307	6.1
96.95893	3.5
101.02276	2.0
108.02036	5.1
109.02834	5.8
111.04386	1.4
113.05958	3.7
115.00278	1.6
120.02039	2.7
121.02840	5.3
122.03604	7.5
123.00714	1.6
123.04391	4.8
125.02309	2.5
135.04344	1.5
136.01573	6.2
137.02322	7.0
137.06085	1.8
139.03828	2.0
148.01538	34.5
149.02322	13.8
150.03108	75.0
151.03961	9.7
153.05464	39.9
157.04985	3.7
163.02507	2.8
163.03903	50.6
164.00993	1.4
164.04626	3.0
165.01869	3.2
165.05467	89.5
165.23209	1.3
166.02628	20.8
167.03386	4.9
168.99898	1.5
173.04460	5.8
174.92297	1.6
175.02400	1.8
177.01768	2.4
178.02597	12.1
179.03392	4.3
180.04189	6.5
181.04976	100.0
182.05348	1.6
191.05560	4.0
192.04262	1.7
193.04993	43.8
195.06566	41.2
195.08405	1.9
196.03719	5.2
197.04529	5.0
211.06065	78.2
237.59924	1.5
283.08328	6.6
285.07773	3.8
309.07657	1.9
329.10168	7.6
341.10190	4.7
359.11499	2.1
377.12421	5.3
389.12411	3.0
407.13538	5.9
435.12866	4.8
465.14056	16.3
477.14032	19.8
478.13773	1.9
495.15100	66.9
496.15317	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	495.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35907	0.1
56.91803	0.1
57.54716	0.2
59.01247	0.2
64.22027	0.1
81.03307	0.3
90.23096	0.1
91.01746	0.1
108.02028	2.0
108.99865	0.8
109.02814	59.6
109.06102	0.5
110.03143	0.7
120.01144	1.1
121.01467	0.2
152.01070	1.0
152.96924	1.2
153.01823	100.0
153.07297	0.9
154.02168	1.6
167.03403	0.2
193.04970	0.2
197.08322	0.1
208.97597	0.1
211.06158	0.2
221.32549	0.1
243.03152	0.2
297.06186	0.3
315.07248	3.8
331.02872	0.1
333.09811	13.7
334.10114	0.5
364.58896	0.1
441.72971	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	495.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02264	0.7
59.01240	13.3
61.98682	1.9
65.99703	4.5
67.01741	3.9
68.99672	1.6
69.03298	2.1
70.00172	0.9
79.01756	2.5
81.03314	22.7
87.00732	2.5
92.75000	1.0
95.01243	6.2
97.02816	2.2
102.57894	0.9
104.45670	0.9
107.01235	10.7
108.02034	3.2
109.02832	1.0
111.20513	0.9
123.00747	12.4
125.02316	30.5
132.05606	1.1
142.49594	1.0
151.00259	100.0
152.00624	0.9
201.87009	0.9
205.12437	1.0
217.12398	1.5
231.10260	1.7
233.00668	18.3
233.11832	2.1
259.09662	1.8
261.11295	2.1
375.16104	2.4
393.17111	1.6
413.16107	23.6
435.35867	3.2
495.17191	5.0
495.23456	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	495.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72221	1.3
69.67316	1.3
95.58003	1.4
99.92441	26.8
100.93218	2.2
101.95892	1.4
102.15630	1.4
115.91940	9.9
116.92725	100.0
117.92732	1.9
119.04894	1.7
121.02800	2.5
151.56404	1.6
160.84041	2.0
180.66699	1.7
195.24738	1.5
201.97182	3.5
218.97588	4.7
219.98297	7.2
232.95520	6.4
233.99925	1.5
234.97072	2.8
238.96625	2.0
245.96278	13.4
246.96828	3.9
250.96448	2.5
264.94543	5.8
279.16721	1.8
279.98566	1.8
393.24539	1.7
451.10941	1.8
451.16965	5.1
477.17432	24.4
478.17255	1.9
491.15546	5.6
495.18536	40.9
496.18430	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	495.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75761	0.7
57.03322	1.0
58.00455	1.9
59.00102	2.1
59.01244	100.0
59.02508	1.5
61.98690	4.0
66.35188	0.7
68.67463	0.7
69.03308	1.4
70.99736	0.7
71.01241	29.2
72.81249	0.8
72.99162	2.5
73.02807	14.7
73.55884	0.7
81.03277	1.1
83.01239	6.1
85.02809	9.4
87.00741	3.8
87.04392	1.8
89.00188	0.9
89.02299	42.3
92.10402	0.8
97.02827	1.5
99.00708	1.8
101.02306	49.9
103.03873	13.7
111.60225	0.7
113.02308	11.3
115.03879	6.4
119.03365	18.2
120.55997	0.7
125.02312	3.0
127.04014	0.9
131.03374	8.5
143.02338	1.4
143.03371	10.3
145.04944	5.7
147.08943	0.8
147.84914	1.4
149.04414	1.1
161.04483	4.1
163.06020	50.9
179.05515	9.8
182.01303	0.9
186.39226	1.0
205.07104	19.5
265.09348	5.9
289.16574	6.6
343.10583	0.9
435.22379	55.2
436.22632	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2602
Annotation	Virescenoside M
Peak:m/z	Relative Intensity
54.35062	0.3
55.01714	0.8
56.24475	0.3
56.72887	0.2
57.03273	1.3
58.00420	0.5
59.01244	29.8
59.01519	1.3
59.01656	0.9
59.02361	0.6
61.98664	0.3
71.01240	21.9
72.99138	0.8
73.02805	4.5
75.00720	0.5
77.73604	0.2
78.65040	0.3
83.01241	3.0
84.01984	0.3
85.02808	9.3
85.99950	0.3
87.00679	0.8
88.99935	0.3
89.02298	15.3
91.73341	0.5
95.01239	1.5
95.04803	0.4
97.02786	0.3
97.06424	0.5
99.00746	1.9
101.02305	18.9
105.06927	0.7
113.02310	10.8
113.31763	0.3
119.02631	0.4
119.03366	5.9
121.52922	0.4
121.53724	0.6
124.86990	0.2
131.03311	0.3
137.62788	0.7
143.03323	0.4
159.02856	0.8
160.11623	0.3
161.04422	2.7
183.11661	0.8
189.14336	0.3
201.12772	0.5
208.55884	0.3
253.19533	1.0
269.19128	0.5
271.20718	4.1
287.20212	0.3
289.21652	0.8
297.18597	1.0
299.20087	0.9
315.19598	0.8
317.21436	0.5
451.26819	0.4
477.24963	45.8
478.25620	1.9
495.26041	100.0
496.26331	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	495.2602
Annotation	Virescenoside M
Peak:m/z	Relative Intensity
57.03302	1.1
57.48185	0.4
59.01244	35.6
59.02425	0.6
63.56925	0.5
69.03320	0.6
71.01242	18.9
72.99150	1.5
73.02803	1.5
83.01224	1.8
85.02794	4.1
87.00745	0.8
88.40789	0.5
89.02298	17.0
89.02843	1.0
91.72799	0.9
95.01244	1.2
96.17896	0.5
96.95842	0.6
99.00761	0.8
101.02306	13.1
106.55138	0.4
109.02889	0.7
113.02303	6.4
119.03372	5.4
120.99521	8.0
137.02292	0.5
137.62787	1.1
139.20828	0.5
161.04456	0.8
262.87964	0.6
269.19086	2.0
271.20737	3.0
297.18628	4.8
299.20148	2.0
301.35550	0.5
304.33954	0.5
315.19684	4.2
317.21106	0.6
477.24854	3.7
495.26031	100.0
496.26385	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	495.2601
Annotation	Cussoracoside E
Peak:m/z	Relative Intensity
57.03294	0.5
59.01232	1.5
61.98677	1.7
65.26182	0.5
71.01232	1.9
85.02814	0.7
87.00713	2.4
91.72831	0.9
92.92480	1.0
92.92970	1.1
93.93542	0.6
96.95842	1.1
101.02287	1.0
109.02813	1.4
113.02280	1.4
120.41375	0.6
125.82538	0.6
134.03613	2.0
135.04399	3.8
137.02327	0.7
153.01764	1.8
163.07538	16.5
164.08376	4.0
165.09053	2.1
176.08334	4.5
177.09125	13.6
179.03421	3.3
182.56203	0.6
209.15422	1.2
224.71100	0.7
232.14677	8.4
233.15385	2.2
246.16174	2.8
275.20288	1.0
288.20926	11.2
289.21750	100.0
290.22101	3.2
303.19601	2.0
321.20734	4.7
333.20740	25.3
334.21167	1.5
357.20837	1.3
381.17471	1.1
397.16544	1.2
457.18869	0.8
459.20343	2.7
490.38092	0.7
495.26038	50.0
496.26385	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	495.2602
Annotation	Phloganthoside
Peak:m/z	Relative Intensity
55.01741	2.0
57.03306	2.9
59.01240	15.3
60.88509	0.5
61.98690	0.7
62.72151	0.5
62.80908	0.4
67.01731	0.5
67.84538	0.4
71.01234	16.4
72.99165	0.9
73.02798	8.5
73.04442	0.4
80.54411	0.4
83.01237	6.2
84.02006	0.7
85.02806	11.4
85.99931	1.1
87.00734	5.1
89.02284	1.7
95.01241	1.5
96.95860	4.2
97.02784	0.6
99.00744	2.8
101.02301	16.9
109.02811	1.1
109.91627	0.5
111.00752	1.0
113.02296	6.0
125.02319	1.4
129.01707	0.6
130.26050	0.5
135.04417	0.9
146.30943	0.5
153.01860	0.7
159.02888	1.3
161.04442	3.3
177.09111	0.5
198.92133	0.5
202.13872	0.5
240.52115	0.5
289.21753	2.8
291.00223	0.5
301.07483	0.7
325.71094	0.5
333.20724	2.9
347.15018	0.7
399.18207	4.2
409.13135	1.1
451.27103	2.9
459.20203	1.8
495.26022	100.0
496.26080	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	495.26
Annotation	Virescenoside M
Peak:m/z	Relative Intensity
50.36155	1.2
53.67646	1.3
54.72089	1.2
57.03312	8.2
58.93431	1.4
59.01241	39.1
61.98673	1.1
71.01239	17.2
72.99167	2.3
83.01250	2.6
85.02796	6.3
87.00710	1.5
89.02290	16.7
91.73312	1.5
92.20470	1.4
96.95893	7.9
98.95454	4.6
99.00745	1.7
99.04396	9.4
100.04719	1.5
101.02304	18.3
109.02821	2.4
109.89592	1.6
113.02318	9.0
119.03349	4.5
120.99513	11.8
125.02290	2.4
137.02299	3.2
161.04465	3.5
165.05449	1.9
167.07019	2.8
173.04506	2.3
271.20752	3.2
297.18549	4.2
299.20221	3.2
315.19513	4.7
349.10709	3.8
351.05655	3.3
436.10959	1.9
477.24918	4.2
495.10486	29.4
495.25998	100.0
496.10284	4.1
496.26114	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	495.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	2.5
60.10014	1.1
63.76161	1.0
69.03319	1.5
70.65474	1.1
72.99167	5.6
78.95763	1.2
79.64243	1.3
81.03308	3.8
83.04881	1.3
95.04899	1.8
99.08030	4.6
101.05943	3.8
107.04876	2.3
113.94201	1.3
120.94928	1.3
123.04374	11.1
123.08052	2.0
123.72340	1.4
133.06413	1.7
136.05191	2.1
137.09665	1.8
138.69511	1.3
148.96454	1.3
152.99496	2.3
154.38553	1.2
165.09206	1.9
179.10699	2.4
187.11128	1.4
191.10712	1.5
207.10185	10.6
212.79616	1.4
231.13882	1.8
233.11887	1.7
241.95193	1.4
243.10292	2.2
243.16977	1.3
245.11816	4.9
247.13440	3.5
290.85312	1.6
433.27243	2.4
451.28699	1.9
467.27878	3.4
477.26367	4.4
492.98907	1.8
495.27576	100.0
496.27902	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	495.2746
Annotation	Ardisenone
Peak:m/z	Relative Intensity
53.11842	4.4
53.39562	4.4
57.92205	4.6
58.95253	4.2
59.01231	9.1
69.96843	4.7
78.95766	10.3
81.03333	4.9
85.02814	5.6
87.00737	7.5
93.03301	5.7
98.60741	4.9
101.05945	12.2
120.37962	5.2
122.56918	5.0
123.04321	6.2
140.39633	5.4
152.99503	25.6
163.11316	5.4
163.62402	5.2
173.09505	5.2
177.12929	6.1
205.12267	6.8
231.10281	11.5
231.13927	22.0
233.11775	41.4
245.11804	9.5
247.13414	9.5
259.13416	11.9
261.11322	17.8
267.23309	100.0
429.25674	6.2
459.25699	9.4
478.42880	7.7
495.27463	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59683	0.4
57.03305	1.4
59.01233	0.8
65.47568	0.5
69.03291	1.5
70.80592	0.4
71.01234	1.3
72.99171	6.4
77.74602	0.5
81.03326	3.5
83.04869	1.1
85.02805	3.3
93.03311	0.8
95.04877	1.4
97.02810	2.0
97.06398	0.5
99.04335	0.6
99.08033	3.6
101.05943	4.0
107.04900	1.5
108.02034	0.6
119.04908	0.7
122.03616	0.6
123.04389	7.4
123.08041	6.1
125.05936	0.9
130.26492	0.5
134.03566	0.5
135.04477	0.5
137.09599	1.6
149.09590	2.1
161.09560	0.7
163.07530	1.3
163.11250	0.8
164.04703	0.8
165.09087	1.1
172.05226	0.7
175.11224	0.9
179.10657	3.7
187.11234	1.2
189.09161	0.9
191.10684	0.9
193.08661	1.3
199.11148	0.8
201.12793	0.6
205.12370	1.4
207.10202	13.9
215.10748	2.1
215.14279	0.8
217.12308	2.1
219.13942	1.6
229.12306	3.9
231.10315	1.1
231.13875	9.3
233.11826	7.0
235.13335	6.4
243.10304	2.3
245.11732	2.5
247.13356	9.0
249.14980	2.0
265.14658	0.9
267.16046	15.8
300.42993	0.5
309.14709	0.6
311.15146	3.5
347.19873	0.7
365.21317	1.2
375.19598	1.1
383.22397	1.0
393.20840	1.2
431.25964	0.8
433.27780	0.8
449.27081	1.9
459.21390	0.6
467.27991	3.2
477.26553	3.9
495.27615	100.0
496.28098	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	2.2
63.54919	1.4
64.53647	1.6
70.70985	1.5
78.95757	2.1
81.03314	3.0
83.04874	3.2
96.95894	1.9
99.04347	2.5
99.08076	2.3
101.05937	5.2
107.04887	2.1
123.08015	1.9
152.99506	4.9
165.09132	5.3
203.45451	2.2
209.38344	1.9
217.12256	2.3
231.13844	3.1
245.11861	9.4
252.69719	2.5
259.13516	2.6
271.16986	2.6
274.71637	2.0
281.15500	7.1
299.16296	2.3
365.21335	7.7
495.27582	100.0
496.27896	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	495.3119
Annotation	Secaubryolide
Peak:m/z	Relative Intensity
56.53358	0.7
59.01227	0.6
61.06302	1.1
61.06596	0.9
61.56910	0.6
82.56351	0.7
103.19530	0.7
113.77267	0.8
117.00525	0.8
117.03325	27.7
118.04094	2.9
119.04897	33.5
119.05761	1.6
121.02816	6.8
123.04374	2.2
133.02785	1.7
134.03641	1.0
145.02841	49.5
146.03067	1.0
162.03117	2.3
163.03914	16.9
163.67984	0.8
305.30753	0.8
339.20816	1.2
366.03348	0.8
383.80307	0.9
413.26965	1.3
435.22888	0.9
467.31387	0.9
495.31189	100.0
496.31555	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	496.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69224	0.2
52.78941	0.2
54.79393	0.2
55.72814	0.2
58.83121	0.2
59.01238	0.4
61.41802	0.2
61.62789	0.2
61.97383	1.8
61.98694	100.0
61.99817	1.2
62.00171	0.7
64.16094	0.2
71.01232	0.3
88.59595	0.2
91.73418	0.4
100.10358	0.2
116.19168	0.2
152.03415	0.4
209.00494	0.2
215.13072	0.2
223.71834	0.2
225.45799	0.2
378.14481	0.3
387.04343	0.3
434.21475	0.2
496.25024	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58376	0.2
59.01244	1.5
59.62891	0.2
61.97290	1.3
61.98694	100.0
61.99966	1.8
71.01238	0.6
71.04889	0.2
73.02780	0.2
78.95782	0.3
85.77736	0.2
89.02319	0.5
96.95892	0.3
101.02305	0.4
113.02308	0.3
115.03893	0.5
116.04316	0.2
119.03409	0.2
120.60939	0.2
135.14641	0.2
159.51125	0.2
435.21497	0.5
460.19373	0.6
496.33136	0.4
497.22632	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	497.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.2
61.98698	1.9
62.65722	0.3
71.01237	1.2
74.92810	0.3
78.95770	0.8
80.76340	0.3
81.57887	0.6
86.83511	0.5
87.00703	0.4
89.02299	0.4
91.72874	1.0
91.73392	0.4
94.26041	0.6
94.26566	0.6
94.42594	0.5
105.98384	0.4
107.01226	0.5
115.00224	0.8
125.02332	0.5
151.00223	1.5
159.52098	0.3
175.02423	2.0
187.03932	0.4
199.03943	2.9
201.01755	0.6
203.03432	0.5
215.03481	1.8
218.38916	0.3
227.03439	2.8
229.80995	0.4
242.02132	4.4
243.02968	29.3
244.03319	1.1
255.02972	3.2
256.03409	0.4
257.04547	7.5
258.05170	0.5
270.01694	6.3
271.02493	32.0
272.02963	1.1
284.03430	0.6
285.04062	17.1
286.04822	5.4
299.01974	15.1
299.05145	0.7
300.02756	11.0
301.03159	0.4
314.04340	51.9
315.05096	24.3
316.05499	0.8
357.06284	0.5
363.91495	0.4
461.10931	100.0
462.11230	4.9
497.27582	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87973	0.3
54.42302	0.3
59.01245	0.5
62.21107	0.3
63.02836	0.5
70.92362	0.3
71.94066	0.3
75.27317	0.3
80.02538	0.4
91.01781	0.4
92.12249	0.4
94.69452	0.3
94.85102	0.6
94.85675	0.7
96.95863	0.3
98.60540	0.3
108.02039	13.9
109.02823	7.6
118.94991	0.3
120.99529	2.0
122.99107	1.3
123.04392	4.2
125.02311	0.4
128.03406	0.6
152.01044	26.9
153.01833	8.0
163.00308	1.1
167.03407	16.8
168.03749	0.4
169.86374	0.4
171.04478	0.6
172.05212	0.4
178.99791	0.9
183.04446	1.2
184.05261	0.5
185.02359	0.6
187.03917	0.5
189.01884	0.4
190.99760	0.4
193.01274	0.4
199.03981	1.0
200.04747	3.5
206.99341	0.5
207.06512	0.4
210.03191	0.3
211.03983	1.4
212.04630	1.6
213.01904	6.6
213.05220	0.3
214.02670	0.9
215.03421	0.8
227.03464	7.7
228.04219	5.2
229.05022	0.5
239.03447	1.6
240.04193	1.9
241.01448	1.7
241.05128	0.4
242.02209	1.8
243.02983	2.0
251.03589	0.6
255.03009	7.5
255.05865	0.5
256.03757	16.6
257.04337	1.3
259.02505	1.4
267.02951	2.9
268.03754	3.1
269.04639	1.6
270.01746	4.6
270.05273	1.3
271.02448	3.1
275.09277	1.2
281.04361	0.8
283.02560	0.9
284.03275	32.6
285.04022	5.7
287.02115	0.7
295.02484	2.1
296.03284	8.1
297.03958	2.1
298.04880	6.6
299.05624	52.6
300.05978	1.6
302.04562	0.4
310.04739	0.5
311.05652	9.4
312.06400	1.6
313.03806	0.5
313.07187	7.4
314.04340	3.0
321.04633	0.4
325.07074	0.6
328.06000	1.2
329.06699	19.1
330.06943	0.9
343.01019	5.7
343.08154	3.3
344.01144	0.6
379.79663	0.4
438.09552	0.5
453.11926	0.8
497.10934	100.0
498.11359	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	497.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01213	0.9
61.98680	0.9
62.25688	0.6
69.07285	0.6
72.75047	0.6
76.32545	0.6
92.12254	0.7
94.85092	1.3
96.95858	2.6
108.02036	9.9
109.02819	3.6
112.90965	0.6
115.16051	0.6
121.02827	1.0
123.04366	3.6
123.86996	0.6
152.01030	17.0
153.01849	3.8
153.05153	0.7
167.03391	12.1
171.04372	0.7
177.01863	0.9
181.76839	0.7
182.20682	0.6
183.04424	0.7
184.05292	1.2
185.02246	0.9
186.02977	0.8
199.03961	1.4
200.04704	4.8
211.03973	1.8
211.59119	0.8
212.04633	2.0
213.01884	9.9
214.02502	1.4
227.03459	9.6
228.04221	6.7
229.05107	0.8
230.05725	1.1
239.03635	1.6
240.04274	2.2
241.01332	2.1
242.02196	1.0
243.02948	2.0
255.02966	9.5
256.03766	28.4
257.04202	1.2
259.02551	1.9
267.03024	3.0
268.03687	3.2
269.04559	1.3
270.01578	3.1
270.05472	0.7
271.02536	3.0
281.04660	0.7
284.03278	48.2
285.03879	6.0
287.01816	0.9
295.02365	0.9
296.03351	5.8
297.03992	1.7
298.04486	3.0
299.05606	94.3
300.06036	3.1
311.05566	6.8
312.06363	1.2
313.07178	5.0
314.04358	1.9
328.05807	1.3
329.06714	19.0
333.07590	0.8
343.08069	2.2
349.07224	1.0
361.07385	1.2
364.09424	0.7
390.07098	0.8
423.10886	3.1
435.10910	2.1
453.11868	0.9
461.08694	1.0
467.09802	5.1
479.09869	12.3
497.10919	100.0
498.11267	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	497.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.9
67.01742	0.4
71.01230	0.6
72.99182	0.2
78.29363	0.2
81.03305	0.2
85.02803	8.0
87.00731	2.0
89.34798	0.2
90.33479	0.2
93.03320	2.7
96.95867	0.3
99.04353	0.5
107.67270	0.3
109.02808	1.0
111.04393	1.2
125.02290	1.1
127.03886	2.6
127.09357	0.3
137.02271	0.7
139.03868	0.4
142.23203	0.2
155.03362	0.3
158.40637	0.2
165.01910	0.5
167.03400	0.2
171.02867	0.8
173.04483	1.0
190.98959	0.9
191.05537	100.0
191.13098	0.8
192.05882	1.9
204.83704	0.2
305.06686	2.1
403.28336	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.4
59.01240	1.3
60.94385	0.2
60.99203	0.2
65.00188	0.5
67.01740	0.4
69.03319	0.3
71.01228	0.9
73.02798	0.4
81.03314	0.5
83.01235	0.4
83.04890	0.4
85.02804	7.4
87.00732	1.8
89.02278	0.2
93.03308	3.2
95.01250	0.7
96.95905	0.3
97.02847	0.2
99.00725	0.3
99.04367	0.4
101.02295	0.3
107.01231	1.3
108.01982	0.2
109.02821	1.4
111.04379	1.5
113.02277	0.3
123.04433	0.3
125.02314	2.6
127.03893	1.9
131.01198	0.3
134.03693	0.2
135.04396	1.5
137.02322	0.9
151.00253	4.5
153.01796	0.3
155.03383	0.4
159.79652	0.2
161.02332	0.5
165.01828	0.6
167.03358	0.4
171.02902	0.7
173.04468	1.6
175.00281	1.6
177.01875	0.9
178.99796	1.1
179.03331	1.1
185.05939	0.2
190.98473	0.9
191.05536	100.0
192.05930	1.4
201.05472	0.3
203.03436	0.5
205.04903	0.2
219.06616	0.5
221.00853	0.3
227.03445	0.4
229.05009	2.8
231.02985	0.6
245.04530	0.3
247.06020	0.5
258.90912	0.2
263.05692	0.3
268.68042	0.2
273.04053	3.2
288.71216	0.2
305.06677	1.5
313.05634	0.8
317.03024	1.5
335.04163	0.4
335.07834	0.9
341.05112	2.8
393.58731	0.2
435.09366	0.5
484.72571	0.3
497.17416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42851	0.3
57.85187	0.2
59.01236	0.5
60.99170	12.0
61.66292	0.3
62.06128	0.3
72.99136	0.3
76.17124	0.3
83.14577	0.3
87.00705	0.3
88.96194	1.0
88.98661	100.0
89.00826	1.5
89.02289	1.0
96.49030	0.3
99.75691	0.3
104.39713	0.3
109.02866	0.3
134.23936	0.3
181.12283	0.5
189.39798	0.3
217.15967	1.2
219.98621	0.3
245.15456	2.2
281.16769	0.3
289.14389	0.4
318.37787	0.3
333.13446	1.5
351.14545	4.8
352.14905	0.5
379.14099	0.4
381.99963	0.3
407.13626	1.6
429.19647	0.7
497.03143	1.2
497.27682	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.4
59.01236	0.8
60.51013	0.4
60.99169	10.6
69.03307	1.0
71.01223	0.5
72.99167	21.7
73.02814	0.5
87.00735	8.9
88.00257	5.3
88.01079	1.5
88.03886	1.4
88.94962	0.6
88.98659	95.8
89.02296	100.0
89.04523	1.5
89.05917	0.5
89.98983	0.7
90.02626	0.8
97.02818	1.6
98.79452	0.4
113.02303	9.4
125.02323	9.5
135.04164	0.4
141.01872	0.8
152.01082	0.6
153.52130	0.6
167.03419	0.8
184.85709	0.5
215.01414	0.5
215.14464	0.5
232.11073	0.7
241.65298	0.5
261.15164	0.8
287.12863	0.5
349.12933	1.0
351.14438	2.4
367.14001	21.7
368.14453	1.7
395.13583	1.6
423.12949	6.4
424.13501	0.6
497.21887	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56517	1.2
57.03316	69.9
58.17076	1.3
58.24669	1.2
59.01242	100.0
59.11592	1.4
61.98669	1.6
71.01237	22.8
72.99181	2.9
73.02804	8.3
73.70931	1.3
75.00726	3.1
78.95793	1.5
79.71954	1.3
81.03311	2.8
83.01234	6.2
85.02798	14.1
87.00726	3.1
89.02304	7.6
91.73314	1.7
93.03318	3.3
96.95870	6.6
97.02794	1.8
99.00742	5.2
99.04371	71.1
101.02295	44.3
102.24026	1.8
109.02819	2.2
111.00716	1.9
111.04372	2.5
113.02287	14.3
116.88723	1.4
119.03407	2.4
119.04956	2.5
122.07971	1.5
125.02307	44.7
126.02674	2.0
129.01837	1.5
131.03371	1.9
137.02333	2.7
143.03386	6.3
149.02330	1.7
151.00258	2.9
153.01871	2.7
159.02859	1.8
161.02373	2.1
161.04465	13.9
163.03897	2.4
173.04483	5.9
175.02330	2.9
177.01930	1.8
177.09148	1.7
191.05548	6.4
203.09244	2.2
221.10258	80.1
247.06160	2.6
253.05235	1.8
281.13913	2.6
335.07126	2.8
335.13492	17.3
353.14551	92.7
357.52805	1.6
395.15668	21.2
435.18689	1.8
453.19168	2.3
497.18555	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	497.2002
Annotation	Conivaptan
Peak:m/z	Relative Intensity
53.02631	1.6
53.02852	0.9
59.15743	0.8
71.24935	1.0
81.97604	0.9
85.47034	0.9
90.10415	0.9
99.92440	27.4
100.93224	2.7
101.38058	0.9
104.54409	0.9
115.91956	8.4
116.92722	100.0
117.92732	3.0
117.93482	0.9
121.02832	1.8
134.78607	0.9
137.33110	1.1
147.72939	1.0
149.02376	1.1
161.02309	1.3
185.44293	1.0
201.84103	1.0
201.97220	4.3
204.96004	1.3
206.97473	1.6
217.96767	1.4
218.97545	5.2
219.94666	1.2
219.98285	8.2
232.95451	6.0
234.97084	1.8
238.96494	2.8
245.96219	15.1
246.96983	1.9
250.96501	2.3
264.94449	6.0
276.88495	1.1
323.21179	1.0
349.25085	1.6
368.07446	1.3
395.25708	1.4
409.12643	1.1
422.11880	1.2
449.18509	1.4
453.20987	3.8
479.18970	18.2
480.19073	1.9
493.16873	4.8
497.20078	54.7
498.20428	4.8
511.17758	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.216
Annotation	Angeloylisogomisin O
Peak:m/z	Relative Intensity
57.01672	1.2
60.98960	1.1
60.99168	12.5
61.98722	1.5
63.02243	1.5
72.99151	5.4
78.94570	1.5
83.01216	2.0
86.89730	1.4
87.00726	3.2
88.00246	1.6
88.98662	100.0
89.02297	42.6
96.95857	7.1
100.62926	1.7
107.01247	4.2
109.02809	4.9
113.02297	4.5
118.44291	1.5
123.16714	1.7
123.64922	1.5
124.01534	1.8
125.02292	8.1
135.38481	1.9
137.02321	5.5
151.00266	9.0
151.03818	1.6
152.01018	10.5
153.01860	5.3
165.01894	2.0
165.05504	1.7
165.09109	3.3
167.03389	1.8
178.99739	13.9
193.01207	2.0
198.23624	1.8
243.02917	2.4
270.04865	1.7
284.03479	1.9
285.04138	2.9
285.07156	2.7
298.04834	1.8
299.01730	1.8
299.05392	2.7
302.01028	1.9
314.04138	2.2
315.19592	2.7
317.03040	18.8
329.06125	2.1
333.20847	3.8
367.13773	4.7
415.20935	2.8
442.59073	2.0
476.87415	1.8
497.10406	4.0
497.21606	64.5
497.28867	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	497.2161
Annotation	Angeloylisogomisin O
Peak:m/z	Relative Intensity
52.24629	0.8
55.87539	0.7
72.99152	5.6
101.02216	1.3
126.33304	1.0
132.80609	1.0
145.33183	1.0
266.95328	1.1
270.80383	1.1
416.73975	1.3
427.55905	1.1
461.23975	2.1
497.21625	100.0
498.22092	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	497.2546
Annotation	12,13-Deoxyroridin E
Peak:m/z	Relative Intensity
54.87048	2.7
57.03312	6.9
59.01212	3.2
59.97575	2.6
61.98690	8.3
66.09959	2.7
71.01222	4.0
71.49359	3.2
71.53283	3.4
81.03315	14.1
83.04817	4.1
85.02789	4.3
93.03317	5.5
95.04880	5.1
99.04372	8.0
99.08006	12.6
101.05925	6.8
107.04910	6.0
108.01997	4.0
109.02831	5.4
119.04871	5.1
120.85442	3.7
123.04379	6.5
137.09634	10.2
163.07477	6.2
165.09100	10.6
171.08049	10.3
193.08612	34.5
195.10159	5.2
197.06024	4.2
199.11513	3.9
207.10252	5.2
215.10667	5.5
217.12370	5.1
231.10217	5.9
233.11873	11.1
255.13937	26.6
283.13461	6.3
323.16342	4.3
339.19785	33.3
377.17615	9.3
433.23688	8.4
451.24911	10.6
461.23355	10.4
469.25998	55.4
479.24432	91.2
497.25253	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01215	1.5
59.53928	1.1
61.98687	1.3
68.99683	1.4
89.62895	1.0
97.84409	1.1
107.04897	4.6
117.03330	20.3
117.04087	2.1
118.04096	2.0
119.04892	30.3
121.02802	10.4
123.04362	1.3
132.88326	1.1
133.02846	2.4
133.06514	1.4
140.09607	1.1
145.02837	47.1
152.99515	2.2
154.05098	1.1
162.03116	2.3
163.03918	12.3
175.11293	1.2
189.07402	1.1
208.94600	5.1
209.94760	1.3
210.94312	3.2
233.91245	3.9
235.90726	1.5
252.93665	3.4
252.96182	1.2
253.93945	3.3
254.93376	6.5
255.93579	1.8
269.24860	2.3
289.21786	2.8
310.45081	1.2
333.20679	9.4
361.23862	2.2
412.25745	1.3
415.24805	4.9
453.19058	1.3
459.07144	5.2
459.27579	14.5
460.06903	4.7
460.28073	1.7
461.07492	11.0
461.29114	100.0
462.06693	3.5
462.29446	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	497.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01215	1.5
59.53928	1.1
61.98687	1.3
68.99683	1.4
89.62895	1.0
97.84409	1.1
107.04897	4.6
117.03330	20.3
117.04087	2.1
118.04096	2.0
119.04892	30.3
121.02802	10.4
123.04362	1.3
132.88326	1.1
133.02846	2.4
133.06514	1.4
140.09607	1.1
145.02837	47.1
152.99515	2.2
154.05098	1.1
162.03116	2.3
163.03918	12.3
175.11293	1.2
189.07402	1.1
208.94600	5.1
209.94760	1.3
210.94312	3.2
233.91245	3.9
235.90726	1.5
252.93665	3.4
252.96182	1.2
253.93945	3.3
254.93376	6.5
255.93579	1.8
269.24860	2.3
289.21786	2.8
310.45081	1.2
333.20679	9.4
361.23862	2.2
412.25745	1.3
415.24805	4.9
453.19058	1.3
459.07144	5.2
459.27579	14.5
460.06903	4.7
460.28073	1.7
461.07492	11.0
461.29114	100.0
462.06693	3.5
462.29446	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	497.2759
Annotation	Tricalysioside P
Peak:m/z	Relative Intensity
55.01739	1.8
57.03309	1.0
59.00975	0.7
59.01245	11.3
61.40930	0.5
61.98685	2.0
64.18353	0.5
71.01245	6.8
72.99158	0.7
73.02811	3.0
83.01240	3.1
85.02816	4.8
85.99915	0.7
87.00724	1.1
88.98588	0.5
89.02316	1.1
93.45551	0.6
95.01205	0.5
96.95861	1.2
99.00748	1.1
101.02312	6.0
108.02027	0.8
108.84184	0.5
111.00718	1.4
113.02304	2.1
121.02805	0.7
128.17227	0.5
130.54274	0.4
135.43391	0.5
146.71149	0.5
163.21872	0.4
171.98250	1.4
173.04353	0.6
198.54166	0.5
261.22318	0.8
273.22339	1.0
289.21747	4.9
291.23325	25.4
303.23413	0.7
365.62671	0.5
415.24905	1.2
419.84290	0.6
453.28439	2.7
497.27585	100.0
498.27747	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2889
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
54.20095	0.3
59.08291	0.4
76.55721	0.5
78.95752	5.6
87.24239	0.3
89.35809	0.8
89.36358	0.7
96.96812	1.0
152.99477	13.1
157.80312	0.5
168.47148	0.5
171.00554	1.1
227.03186	2.5
245.04279	1.2
245.11816	0.5
269.24872	100.0
270.25244	3.7
339.20026	0.5
497.28906	36.2
498.29556	1.8
507.72760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2912
Annotation	Cucurbitacin S
Peak:m/z	Relative Intensity
52.96494	0.3
57.03312	0.8
58.00449	0.6
65.92689	0.3
67.01730	1.1
69.03302	0.5
71.01213	0.8
71.04880	6.6
73.02789	0.5
83.04855	0.6
84.19329	0.4
85.02795	0.4
87.04370	9.2
89.02290	0.4
93.03320	0.8
95.01225	1.3
95.04893	0.5
97.02812	5.1
97.06438	1.1
107.04886	2.0
108.02054	0.5
109.02838	0.5
109.06454	8.7
121.02808	2.1
121.06495	0.6
123.04363	0.6
123.08019	1.3
133.06480	0.4
135.04378	1.0
135.08031	1.4
135.11658	0.7
137.05969	0.8
139.07603	0.6
143.04901	0.4
145.06461	0.5
147.08022	0.4
147.11685	1.7
149.05910	0.7
149.09622	1.4
151.07552	0.5
159.08023	0.8
161.06099	0.4
161.09636	1.1
163.07526	1.0
163.11166	1.1
164.08308	0.7
171.98256	1.4
173.05957	0.5
173.09563	0.5
175.11133	0.7
177.09113	5.3
177.12709	0.5
184.00087	0.5
189.05370	0.4
189.12819	0.8
191.10760	0.6
191.14377	0.6
194.09451	0.6
201.12773	0.8
202.09886	2.0
203.10683	0.8
203.14293	0.5
205.08653	0.5
207.10229	0.7
215.10741	0.6
217.12277	10.0
219.13892	1.6
229.12209	1.9
231.10268	0.8
231.13974	0.8
232.14601	0.4
233.15428	1.5
241.12106	0.4
245.11801	6.9
247.13333	1.8
249.15027	0.6
255.17493	3.0
257.11774	0.5
259.09814	0.8
260.10519	2.5
285.18576	1.7
341.21005	0.5
365.24802	5.9
377.24719	0.7
395.25952	7.0
409.23895	4.8
417.27802	0.9
439.24954	8.9
440.25211	0.5
466.40323	0.4
479.27719	0.6
497.29144	100.0
498.29520	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	497.2913
Annotation	Cucurbitacin S
Peak:m/z	Relative Intensity
50.70309	0.8
57.03319	2.1
57.30322	0.8
59.01261	1.2
61.98704	2.0
69.18090	0.9
71.01244	2.2
71.04880	9.6
71.05176	1.0
73.02819	2.1
80.91542	1.5
85.02825	1.2
87.04369	10.7
89.02313	1.2
93.03361	1.2
95.04867	1.2
97.02845	3.6
97.06479	1.6
107.04900	1.7
109.06490	3.1
120.19413	1.1
121.06479	1.8
123.04471	1.7
123.08005	6.1
132.62465	1.0
147.08066	1.1
151.07591	1.5
157.77501	1.1
159.08086	1.5
161.09625	2.3
163.07565	1.8
171.98267	1.7
175.07568	1.5
177.09166	4.9
187.11316	1.5
189.09279	1.8
192.07921	1.5
205.08688	3.9
206.09471	1.9
223.24339	1.2
225.55788	1.2
229.12358	1.2
233.15514	2.0
243.17691	1.2
255.17647	1.7
267.17963	1.3
285.18985	1.8
293.19458	1.2
299.20108	1.4
309.22409	1.6
323.23984	1.9
329.17584	2.3
365.24973	5.1
367.22986	1.3
377.24994	3.9
395.26022	16.5
409.23932	3.6
439.25110	10.6
497.29272	100.0
498.29376	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	497.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.7
61.20084	0.4
66.22049	0.3
71.01240	0.7
72.71590	0.4
73.38986	0.4
102.52789	0.5
115.00246	0.6
117.03320	1.8
119.04897	2.0
121.02847	0.9
125.87190	0.6
133.01300	1.7
145.02866	2.5
146.03191	1.5
158.36879	0.4
163.03944	1.0
173.04552	0.4
191.10812	0.4
196.64455	0.5
231.21255	0.6
259.24368	1.0
285.22305	0.5
297.22165	0.6
299.23856	0.9
303.23306	100.0
304.23627	3.8
341.21332	0.6
353.28583	0.6
383.51654	0.5
415.28824	2.4
461.15472	1.0
496.31497	1.2
497.32037	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	498.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.6
61.97431	1.9
61.98692	100.0
62.00178	0.6
71.01221	0.9
85.02831	0.2
89.02285	1.7
89.02771	0.2
94.41217	0.2
95.01276	0.1
99.04427	0.2
101.02294	0.9
112.02904	0.2
113.01068	0.2
113.02318	0.5
119.03374	0.7
124.00310	0.2
143.03407	0.2
150.00908	0.2
161.04329	0.2
173.03217	0.2
179.05602	0.3
193.15897	0.7
199.96938	0.2
237.15111	0.2
238.55072	0.1
254.51379	0.2
299.18942	0.2
339.57025	0.2
355.02557	0.2
435.22375	5.6
436.22699	0.3
449.31946	0.2
462.24310	0.3
498.25107	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	499.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.4
65.00147	0.6
75.44086	0.4
83.01212	0.4
94.76830	1.3
94.77486	0.9
103.63412	0.4
107.01254	1.2
109.02871	0.4
117.56506	0.4
119.67604	0.3
124.00710	0.4
124.01489	1.9
124.33576	0.4
125.02283	1.0
133.04959	0.4
135.00757	0.4
137.02312	2.5
141.31111	0.4
141.62099	0.4
151.00261	6.5
152.00980	0.4
163.00252	1.7
164.01056	1.3
178.99773	6.4
192.00723	0.5
202.67815	0.4
203.03456	0.5
204.04265	0.7
214.02660	5.0
215.03282	0.4
224.19386	0.5
227.03394	0.7
231.02913	0.6
242.02190	5.0
243.02931	1.7
244.03679	0.5
259.02451	4.5
261.04034	0.5
270.01697	5.5
271.02502	31.6
272.02689	0.5
287.01993	17.5
288.02658	1.2
288.05774	0.4
311.29395	0.4
315.01495	0.9
316.02252	94.2
317.03003	17.2
420.61609	0.4
463.08871	100.0
464.09341	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	499.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16212	0.4
52.93740	0.4
54.01274	0.6
57.10352	0.6
59.01241	1.7
65.55138	0.4
65.99707	1.8
67.01745	1.2
69.03333	0.6
71.01238	0.9
75.00711	0.5
76.73569	0.5
78.95770	0.6
79.01734	0.9
80.52767	0.5
81.03317	6.6
89.02296	1.1
90.98457	3.6
93.03314	4.1
95.01251	2.4
100.10103	0.5
101.02282	0.9
107.01216	2.7
108.02030	34.5
108.04849	0.6
109.02852	3.4
113.02261	0.6
121.02789	1.1
123.00765	3.9
123.04382	14.1
125.02308	9.9
135.04372	1.1
136.05170	0.6
137.02315	4.4
138.92377	0.7
151.00259	25.3
151.03873	1.7
152.01042	90.8
153.01764	2.7
153.42558	0.5
163.03877	0.9
163.35051	0.6
164.04718	0.9
165.05342	1.3
167.03403	100.0
179.03436	1.5
179.07050	2.9
180.04199	1.4
181.04996	0.7
195.06609	1.7
229.01521	0.7
287.05618	1.0
287.09229	1.7
313.03845	0.6
331.08267	37.8
455.13400	7.1
463.21799	1.3
499.12405	18.7
499.18790	1.3
499.24823	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43001	0.6
57.10330	0.9
59.01231	3.0
65.99718	1.2
67.01736	1.4
68.66037	0.8
69.03328	0.8
71.01244	2.1
71.34208	1.0
72.99167	1.1
73.02813	1.0
81.03313	6.1
83.01263	1.0
89.02299	2.9
90.98438	3.6
91.73378	1.7
93.03317	5.3
95.01250	2.9
96.95840	1.5
101.02286	2.1
107.01249	3.0
108.02031	39.5
109.02818	4.6
121.02822	1.8
123.00745	3.5
123.04391	16.2
125.02311	9.5
135.04395	1.9
136.01468	1.0
137.02312	6.2
150.03029	1.3
151.00253	24.5
151.03915	1.1
152.01039	89.5
153.01825	5.4
165.01862	1.1
165.05486	1.4
167.03400	100.0
168.03732	1.4
179.03427	0.9
179.07031	2.8
180.04201	2.0
195.06577	1.7
243.06508	1.3
243.77736	1.0
287.09311	1.2
331.08231	40.0
332.08893	1.3
455.13638	6.9
455.26614	1.8
463.21912	1.5
499.12433	22.2
499.19476	6.9
499.25656	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	499.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97942	0.4
57.03310	1.0
59.01249	1.7
60.11635	0.4
60.99154	0.6
67.01468	0.3
67.01752	3.2
69.03311	0.8
69.11951	0.3
71.01237	3.3
72.99166	0.4
73.02805	3.6
81.03299	1.2
83.04877	1.7
84.29271	0.3
85.02801	1.0
87.00738	0.8
91.72752	0.5
93.00966	0.6
93.03313	30.2
93.05984	0.3
94.03628	0.5
96.95874	1.2
99.00748	0.9
99.04375	1.2
101.02281	0.4
108.09588	0.3
109.02819	0.9
111.00713	0.7
111.04383	6.9
113.02348	0.5
113.29517	0.3
115.00206	0.8
119.04890	63.0
120.05170	0.4
120.48620	0.3
125.02323	0.8
125.24873	0.5
127.03925	0.3
135.02884	0.4
137.02310	6.8
142.99718	0.6
155.03375	5.1
162.98398	0.9
163.03905	95.7
164.04204	1.5
172.98500	1.2
173.04459	100.0
174.04813	0.9
175.02382	1.3
189.95992	0.4
191.05528	0.7
205.04970	0.6
224.57851	0.3
325.09293	9.0
326.09586	0.5
327.05017	1.0
345.05911	0.4
371.46613	0.4
499.14581	16.6
505.92499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00081	0.3
59.01242	12.8
61.98686	0.8
64.13427	0.2
71.01228	1.5
72.99148	0.3
73.02790	0.4
76.51166	0.2
78.95764	4.1
79.95596	2.3
85.02804	0.5
87.11432	0.2
89.02316	0.3
96.93394	1.6
96.95869	100.0
96.96770	7.9
96.98647	1.0
101.02316	0.6
102.90973	0.2
113.02299	0.6
114.93270	0.9
118.96507	0.4
156.99025	0.6
161.04401	0.3
170.99687	0.2
175.02411	0.3
179.05464	0.3
198.99174	0.4
259.01376	0.4
315.18225	1.4
357.19238	0.4
390.12021	0.2
413.14847	2.2
499.29001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15554	2.5
59.01242	15.6
71.01237	9.1
74.98930	7.1
76.98500	7.5
81.11156	3.4
85.02824	4.0
89.02296	12.1
93.03340	3.0
96.95882	25.3
101.02316	5.6
109.02834	7.4
113.02294	5.0
119.03340	5.5
123.04406	7.2
125.02306	8.2
135.04425	5.1
136.98993	6.7
138.98566	5.0
149.02304	3.6
149.04434	9.4
153.01817	6.4
161.04491	5.5
167.03418	18.0
178.99841	3.4
191.03357	4.3
219.06664	3.5
244.48268	3.9
255.33607	3.2
264.35245	3.4
303.45813	3.6
305.06683	13.9
307.08401	3.8
359.20688	5.8
361.21271	5.2
463.21970	53.1
499.19644	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1955
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
53.71227	1.4
57.03299	1.5
59.01238	12.2
62.41711	1.2
66.93607	1.7
71.01238	16.1
71.01545	1.7
72.33753	1.4
73.02804	3.2
79.87769	1.7
85.02827	4.8
89.02296	10.2
91.72713	2.2
93.03368	1.9
96.95863	9.5
101.02292	11.3
109.02847	3.2
113.02337	5.7
119.03351	3.6
137.02393	1.8
161.04498	7.4
165.05463	3.6
166.91551	1.9
187.76230	2.0
195.13806	2.6
246.08598	1.8
270.00848	1.7
331.17773	5.6
431.67923	1.9
437.05322	2.9
463.21872	77.4
464.22452	2.5
499.19699	100.0
500.20001	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	499.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15554	2.5
59.01242	15.6
71.01237	9.1
74.98930	7.1
76.98500	7.5
81.11156	3.4
85.02824	4.0
89.02296	12.1
93.03340	3.0
96.95882	25.3
101.02316	5.6
109.02834	7.4
113.02294	5.0
119.03340	5.5
123.04406	7.2
125.02306	8.2
135.04425	5.1
136.98993	6.7
138.98566	5.0
149.02304	3.6
149.04434	9.4
153.01817	6.4
161.04491	5.5
167.03418	18.0
178.99841	3.4
191.03357	4.3
219.06664	3.5
244.48268	3.9
255.33607	3.2
264.35245	3.4
303.45813	3.6
305.06683	13.9
307.08401	3.8
359.20688	5.8
361.21271	5.2
463.21970	53.1
499.19644	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1954
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
53.15554	2.5
59.01242	15.6
71.01237	9.1
74.98930	7.1
76.98500	7.5
81.11156	3.4
85.02824	4.0
89.02296	12.1
93.03340	3.0
96.95882	25.3
101.02316	5.6
109.02834	7.4
113.02294	5.0
119.03340	5.5
123.04406	7.2
125.02306	8.2
135.04425	5.1
136.98993	6.7
138.98566	5.0
149.02304	3.6
149.04434	9.4
153.01817	6.4
161.04491	5.5
167.03418	18.0
178.99841	3.4
191.03357	4.3
219.06664	3.5
244.48268	3.9
255.33607	3.2
264.35245	3.4
303.45813	3.6
305.06683	13.9
307.08401	3.8
359.20688	5.8
361.21271	5.2
463.21970	53.1
499.19644	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55822	0.5
58.99912	1.2
59.01242	100.0
59.02425	1.7
59.12029	0.6
67.62231	0.5
73.26332	0.7
133.02850	3.0
134.03589	4.0
137.02371	2.0
142.44182	1.0
161.02341	3.8
184.99350	0.6
192.04242	2.8
193.04994	39.3
245.11943	1.0
277.03021	0.9
295.18884	0.8
370.20007	0.8
421.16446	1.1
499.26187	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55212	1.3
53.08905	1.2
53.21068	1.1
54.33329	1.2
55.01752	1.8
57.03331	1.7
58.00468	1.5
59.00015	1.5
59.01241	99.5
61.98706	6.0
64.56942	1.3
65.70518	1.2
67.24350	1.2
68.12169	1.4
70.08014	1.2
71.01238	44.1
71.04877	11.2
72.99203	3.7
73.02805	10.4
73.80048	1.4
76.33888	1.5
78.95795	5.9
80.91537	17.3
81.03352	6.5
83.01252	7.7
85.02808	18.7
85.03229	1.6
85.99971	3.7
87.00754	4.0
89.02296	36.7
95.01257	3.4
96.95871	52.9
96.96782	7.9
97.02840	5.9
97.06498	1.8
99.00777	3.1
99.04396	4.9
101.02296	36.9
101.02935	1.9
111.00758	1.6
113.02313	23.5
115.03869	69.5
117.41696	1.6
119.03375	14.8
119.04048	1.5
121.02808	2.9
123.00513	25.9
123.01372	1.6
125.02303	2.7
129.03973	3.6
137.02144	2.0
137.09621	3.6
141.01598	4.4
143.03419	3.7
149.04437	2.1
153.00494	1.8
153.01639	4.1
153.12726	16.7
155.01947	3.6
159.02864	2.9
161.04436	12.8
163.11203	2.0
165.12817	3.2
175.14983	2.4
179.05614	6.3
181.12253	2.5
189.59932	1.6
191.14429	3.3
193.15915	23.8
197.02917	2.5
209.15541	2.0
219.13835	1.9
237.14906	22.7
251.10838	5.5
255.15994	15.9
255.18016	1.6
259.13104	26.6
263.16599	6.2
277.14371	12.1
297.17154	2.3
313.07346	1.7
319.14789	3.7
331.15472	3.0
337.15845	1.9
351.14456	1.9
371.48727	1.7
401.08957	2.5
417.21344	35.7
421.18423	2.6
439.19342	100.0
440.19257	3.4
483.18472	17.1
499.21048	7.1
499.29034	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	499.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	12.7
63.73653	12.3
64.83948	11.4
67.59966	11.1
71.05300	13.0
91.73302	16.0
107.67725	16.0
187.26128	16.6
201.29681	15.0
211.32164	14.2
325.18597	24.9
330.87329	13.7
360.17252	20.7
363.16245	22.2
364.16730	38.4
365.17395	20.6
379.19434	29.4
428.72610	16.4
463.24722	100.0
499.30328	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	1.3
59.01245	11.0
60.99171	0.3
61.98692	0.6
64.51299	0.6
67.01736	0.6
69.03316	0.5
71.01231	4.0
73.02786	0.9
76.02676	0.3
83.01232	0.5
83.04871	1.0
85.02798	0.8
87.00708	0.5
87.04356	1.3
89.02284	3.8
91.72838	0.6
93.03299	0.5
93.17511	0.3
95.01229	0.4
95.04886	1.7
96.95866	0.4
97.06470	0.6
100.25223	0.3
101.02303	5.0
107.08546	0.6
109.06460	0.4
111.04448	0.3
111.08020	19.0
113.02306	1.8
119.03339	1.4
123.08026	0.7
128.36238	0.3
137.09619	3.3
143.03334	0.5
149.09613	5.6
151.11148	0.8
161.04462	1.8
161.09654	0.7
163.11215	0.4
167.10652	2.8
179.05560	0.5
191.14284	0.5
211.13042	0.3
212.91417	0.4
219.17502	7.9
235.08173	0.8
245.15482	3.9
253.09285	19.1
263.16531	100.0
263.27438	1.0
264.16870	2.4
384.13776	0.4
499.25464	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	499.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58147	0.5
51.12725	0.3
52.99627	0.3
57.39827	1.2
57.40081	0.5
59.01231	0.7
61.98697	7.2
62.01583	0.3
78.95767	0.6
79.70327	0.3
79.98693	0.3
80.91541	5.5
81.82467	0.4
82.95273	2.0
93.03349	0.5
117.03332	20.2
118.04167	3.3
119.04892	27.1
121.02825	7.3
123.04384	2.4
133.02838	2.4
134.03668	0.6
145.02837	49.1
146.03194	1.2
149.75977	0.4
162.03156	3.1
163.03905	13.0
165.46640	0.4
277.21796	0.7
293.19781	0.9
415.24796	0.5
416.25043	0.6
417.26480	100.0
418.26837	5.1
439.24118	1.3
445.25922	1.0
452.64099	0.5
463.27399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44586	0.9
52.95517	1.2
57.03319	2.3
58.00473	2.5
59.01243	28.7
59.02887	1.1
61.98690	8.1
63.99123	3.1
66.17844	1.2
69.53819	1.1
71.01238	18.2
72.99189	1.2
73.02803	13.4
75.00725	3.0
78.95776	1.5
82.95270	21.0
83.01233	1.5
84.00764	3.3
85.02815	4.7
89.02269	6.8
94.65971	1.2
96.95881	1.2
97.06458	1.8
101.02313	9.5
103.47438	1.2
111.08007	1.9
113.02303	13.3
117.03349	3.5
119.04891	5.3
120.05244	1.4
121.02802	1.8
125.06001	2.8
133.02843	3.7
133.27449	1.2
139.07538	3.8
143.03375	1.6
145.02840	10.4
146.03160	5.5
147.03374	1.9
161.04469	1.5
163.03917	2.8
164.04257	1.6
177.01970	1.7
193.05031	1.5
225.62917	1.4
255.21310	2.0
263.23782	2.9
273.22296	14.6
277.21744	100.0
278.22034	3.1
291.23322	75.0
292.23605	3.1
301.21793	8.6
319.22787	20.9
320.23511	1.6
331.22894	2.4
341.10721	2.0
349.23965	3.8
415.24991	4.1
416.25391	2.6
417.25586	19.0
445.25903	8.6
463.27084	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	499.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23824	0.3
54.52624	0.4
57.03312	0.8
58.00465	2.8
58.24409	0.4
59.01244	28.0
60.87348	0.4
61.33186	0.4
61.98682	1.9
63.99112	0.5
67.69522	0.4
69.03293	1.4
71.01239	20.7
71.02274	1.1
71.02675	1.0
72.99152	1.5
73.02807	13.9
75.00722	1.6
82.94859	0.5
82.95271	3.6
83.01231	1.7
84.02002	0.9
85.02800	3.3
85.16591	0.4
86.53271	0.4
89.02298	5.5
95.01237	1.4
96.95853	1.1
97.02737	0.5
97.06431	1.8
99.00736	0.5
101.02312	7.8
111.07986	1.1
113.01554	0.8
113.02303	11.0
113.05949	0.6
117.03313	1.2
119.03381	2.7
119.04881	1.6
121.02803	0.8
125.02278	1.0
125.05964	2.6
127.07481	0.8
127.11175	0.8
133.02834	0.8
139.07527	3.3
145.02876	2.7
146.03174	1.5
153.09105	0.6
153.12729	0.6
161.04446	1.9
163.03876	0.7
175.03938	0.6
195.13931	0.5
203.41347	0.5
205.19542	0.9
255.21143	3.0
257.22876	1.1
259.20709	1.4
261.22266	2.4
263.23752	2.5
271.20703	0.5
273.22287	10.7
275.23721	0.6
277.21741	100.0
278.22083	2.2
287.20328	0.5
289.21902	1.2
291.23318	76.8
292.23630	1.3
301.21762	10.2
303.23160	0.8
319.22815	21.0
320.23083	0.6
331.22739	3.5
349.23627	3.8
373.23856	1.0
379.24973	1.7
396.42508	0.5
416.25610	0.6
417.25723	5.6
445.25977	1.6
463.26810	0.8
499.20197	0.7
499.27151	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13528	1.1
56.03962	1.0
56.99365	1.1
58.00459	2.7
59.01242	25.1
59.01514	1.7
59.07541	1.0
61.98680	7.4
63.99136	1.5
69.03327	1.5
71.01238	16.3
72.42436	1.1
73.02796	12.3
75.00748	2.2
82.95267	27.4
83.01212	1.5
84.00787	3.6
84.59850	1.1
85.02833	4.8
89.02325	5.6
89.46755	1.2
97.06455	1.9
101.02303	8.4
113.02307	12.9
117.03349	2.6
117.89236	1.2
119.03294	1.6
119.04900	3.4
125.05978	1.8
133.02861	3.2
138.27943	1.3
143.03349	1.5
145.02893	5.9
146.03203	3.4
161.04483	1.5
163.03935	1.5
164.04286	1.7
168.96089	1.3
201.69659	1.2
215.25414	1.3
255.21291	2.0
261.22208	2.0
271.21094	1.5
273.22324	9.9
277.21729	100.0
278.22281	2.1
289.21777	1.7
291.23306	60.1
292.23645	3.4
301.21716	9.8
303.23474	1.6
319.22818	18.3
322.57593	1.7
328.89246	1.5
349.23886	3.8
350.61624	1.5
357.97775	1.7
402.80917	1.4
415.24817	2.3
416.25613	3.8
417.25681	9.8
445.26178	4.5
463.17017	1.6
463.27014	2.0
499.28992	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	500.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43320	0.5
53.97825	0.5
56.45762	1.1
57.03312	0.6
58.02849	0.6
59.01241	1.5
61.98677	0.7
71.01244	1.6
73.02832	0.9
73.37328	0.6
74.02352	0.5
76.17808	0.6
82.02846	5.0
83.01228	0.7
84.04417	1.5
85.02784	0.7
87.00751	1.2
87.05494	5.9
88.03898	15.1
93.03315	1.4
94.03648	0.6
96.95863	3.0
98.02349	0.7
99.00715	0.6
99.05504	4.6
101.02221	0.6
101.07082	0.7
102.05508	0.7
107.01254	0.9
111.04400	0.7
111.05457	1.0
112.03909	1.5
112.07531	1.2
113.03433	0.7
113.07091	0.7
114.01852	1.3
114.05488	0.6
115.00233	1.8
115.08631	1.4
116.07050	1.8
119.01257	0.6
119.04898	10.7
120.05226	5.0
121.02832	0.8
125.02312	9.4
126.04253	0.6
126.05466	0.9
127.05011	4.4
127.08643	1.6
128.03409	100.0
129.03775	1.1
129.06555	6.7
129.07286	0.7
129.10208	2.1
130.08629	0.8
137.02344	1.1
137.07060	0.6
138.05458	1.1
139.05074	0.6
140.08179	3.9
141.06609	0.8
141.10289	0.5
142.45860	0.5
145.37494	0.6
149.02258	0.9
151.00267	2.6
151.03918	0.7
151.08682	0.8
152.01031	0.9
153.01836	2.8
155.08157	22.2
158.09232	4.8
163.00287	1.4
163.03906	12.6
164.04240	6.8
165.01830	0.7
166.08592	0.8
168.11296	1.3
169.09756	0.8
173.04483	2.7
175.02412	2.9
175.03865	1.3
176.01134	1.1
177.01851	2.5
178.99791	1.8
182.09259	4.7
183.11319	0.6
189.05559	0.7
196.14410	0.7
199.07175	43.5
200.10373	2.0
200.14015	0.7
201.08743	5.8
214.15608	0.9
217.05009	0.9
217.08218	0.6
221.05652	1.2
227.10406	1.7
241.05156	0.7
275.05731	0.9
285.04019	11.6
300.15668	2.0
303.05106	13.5
325.09702	1.0
326.09680	2.0
327.05148	0.8
328.05356	0.7
341.05292	0.7
346.06671	0.7
411.19073	2.0
438.23666	0.7
456.24570	1.0
457.96649	0.6
465.10220	5.1
482.22876	3.5
500.23709	78.4
501.24115	2.5
524.44019	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82576	1.3
59.01235	5.5
67.70676	1.4
71.01243	1.6
78.95764	18.6
91.33868	1.6
110.69178	1.7
111.24401	1.5
122.54076	1.7
140.01088	6.0
152.99486	3.1
162.91585	1.7
189.62556	1.8
196.03720	11.2
214.04880	2.6
236.69609	2.1
241.17920	1.6
303.23303	100.0
304.23666	3.2
500.27786	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25715	0.1
52.67756	0.2
53.37342	0.2
56.15532	0.2
59.01239	4.5
60.73470	0.2
61.44726	0.2
61.46521	0.2
61.61314	0.2
61.98691	0.3
62.85009	0.2
64.74799	0.2
71.01229	0.3
78.95759	8.9
79.79317	0.2
83.04860	0.5
90.90058	0.2
91.72693	0.4
95.86592	0.2
106.62794	0.2
117.03275	0.4
119.04901	0.4
122.00052	0.2
123.08076	0.2
128.61409	0.2
140.01071	3.6
142.75832	0.2
145.02852	0.7
146.03223	0.2
152.99452	1.3
163.03938	0.3
171.00516	0.6
180.15263	0.2
188.82976	0.2
196.03745	1.8
196.92693	0.2
205.19482	0.4
214.04820	4.8
259.24271	1.4
271.22684	0.2
272.23001	0.2
301.21866	0.4
303.09729	1.0
303.23291	100.0
304.23639	2.7
418.26785	0.6
435.18192	0.2
441.75415	0.2
500.27835	12.4
501.28043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19573	0.4
56.68469	0.5
59.00011	1.2
59.01240	70.6
59.02342	1.2
61.57091	0.5
68.68505	1.0
72.99164	1.2
75.52434	0.5
79.34159	0.5
91.73380	0.5
96.42330	0.6
132.98099	1.4
134.96939	2.5
156.99834	0.6
157.03441	2.7
157.85837	0.7
159.01370	2.5
165.26585	0.6
166.93002	1.1
174.99156	23.3
175.00673	1.3
183.27354	0.6
188.79596	0.6
192.95947	1.1
201.02477	33.8
202.02718	1.3
217.00252	100.0
218.00571	1.1
246.97243	0.6
249.92752	0.5
250.95056	1.2
255.78140	0.6
257.71591	1.0
276.98141	3.9
292.96161	2.6
308.06805	0.6
325.50748	0.7
334.97226	0.9
343.03900	2.8
359.01486	61.8
360.01639	2.2
402.57352	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55262	0.2
57.54721	0.2
59.01232	0.2
61.98685	0.5
63.01865	0.1
70.95695	0.2
71.01235	0.2
75.00728	0.2
81.03333	0.4
91.01752	0.4
96.95872	0.2
100.04520	0.2
108.02012	1.8
108.99883	0.8
109.02811	58.7
109.06134	0.6
110.03145	0.6
134.03587	0.3
134.17645	0.2
135.00342	0.2
135.04393	16.7
135.08823	0.2
150.03143	0.2
152.96967	1.1
153.01819	100.0
153.07327	0.8
154.02161	1.3
179.03406	21.3
180.03751	0.5
189.15059	0.2
205.24702	0.2
207.30490	0.2
215.63547	0.2
224.81734	0.2
241.05005	0.2
241.84808	0.2
261.55893	0.2
283.06061	0.3
311.05652	5.7
355.75970	0.2
391.94833	0.2
403.33295	0.2
411.20282	0.2
465.15436	0.2
473.12503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55276	0.1
55.93096	0.1
57.88387	0.1
59.01229	0.3
61.98684	0.4
62.73984	0.1
71.01224	0.2
81.03319	0.4
87.21838	0.1
89.02280	0.2
91.01754	0.2
93.03299	0.2
103.63634	0.1
108.02023	1.9
109.00143	0.7
109.02812	57.8
109.05894	0.7
110.03156	0.4
135.04396	15.0
136.04723	0.2
140.98779	0.2
153.01822	100.0
153.06963	1.0
154.02161	1.0
177.01830	0.2
179.03406	20.3
180.03860	0.2
272.06903	0.2
283.06198	0.2
291.19464	0.2
311.05624	5.6
327.21741	0.4
336.49902	0.2
345.22821	0.4
349.20001	0.3
351.04865	0.3
363.19336	0.2
367.21021	3.3
418.11584	0.2
419.26328	0.6
441.23578	0.3
473.12051	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27824	0.8
68.99669	2.4
71.01241	10.6
72.99165	12.3
73.02769	1.4
74.06044	1.0
87.00719	3.4
88.44987	1.1
93.03333	1.8
95.78487	1.0
96.95911	1.2
96.99168	2.8
97.00887	1.9
97.99941	3.5
99.00743	8.0
99.02432	1.3
101.00359	2.1
107.04877	3.1
109.26429	0.9
111.83517	1.0
112.98676	8.4
113.00394	2.0
114.13853	1.1
115.00231	11.4
119.04848	2.7
124.98686	1.9
125.00407	1.9
129.01801	2.6
131.04987	1.0
135.04350	1.3
140.99861	3.1
142.99763	2.6
147.04420	13.2
149.05965	3.6
155.01474	1.1
165.05446	8.5
167.08762	1.3
168.99384	5.9
175.03925	2.1
175.05496	1.3
179.03413	5.3
183.00963	1.1
184.98907	2.4
191.05133	4.8
191.57339	1.2
193.04959	4.1
204.99808	7.7
207.04738	1.1
209.06142	2.7
213.05745	1.0
219.03044	6.0
219.04778	1.7
230.99507	6.8
245.01060	2.5
254.57426	1.3
255.05147	2.0
263.02219	4.0
281.04770	23.3
316.99481	4.1
350.65332	1.4
361.99252	1.6
367.04752	1.8
390.66168	1.3
395.04044	1.8
406.39795	1.3
411.07401	1.9
439.06573	1.3
455.06314	1.3
469.04016	6.8
483.05643	1.4
500.07205	1.6
501.06970	100.0
502.07425	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	501.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81588	0.4
53.00177	1.2
53.28059	0.5
58.00452	0.7
59.01232	1.7
68.99666	1.6
69.09952	0.5
71.00875	0.7
71.01239	8.7
72.98795	0.8
72.99168	11.2
73.02809	2.4
74.49586	0.5
75.00731	0.9
80.99673	2.1
87.00720	3.4
89.02302	1.3
93.03313	2.0
96.95872	1.9
96.99159	2.3
97.00880	1.4
97.99936	2.9
99.00735	7.4
99.02451	2.2
101.00375	1.9
103.00217	0.6
103.01955	1.0
105.02605	0.6
107.04862	2.7
108.02066	0.6
112.98676	6.8
113.00391	0.7
113.02318	0.7
115.00241	10.3
115.01903	0.7
119.04893	2.0
121.02777	0.7
123.04562	0.6
124.18469	0.6
124.98727	0.9
125.00364	1.2
125.72256	0.7
126.90297	0.8
128.99858	1.1
129.01788	2.7
130.99721	0.7
131.04878	0.8
132.65532	0.6
133.02855	0.6
137.02359	0.6
140.19133	0.6
140.99899	2.4
142.99710	1.7
143.25314	0.7
145.02762	1.0
147.04414	11.4
149.05948	2.5
156.11566	0.6
157.01326	1.3
157.03021	0.8
165.05440	6.0
168.99348	5.8
175.02458	0.6
175.03941	2.3
175.05473	0.8
177.01868	0.7
179.03458	6.6
180.69771	0.6
183.01042	1.2
184.98947	1.8
191.05229	3.3
193.05051	3.0
201.00221	0.7
204.99849	8.1
207.04681	1.0
209.06232	2.2
211.02242	0.9
219.02953	6.3
219.04784	1.6
227.03340	0.7
230.99527	6.1
245.01126	1.4
255.05107	1.7
263.02002	4.8
281.04755	22.8
295.06100	0.9
297.28271	0.7
367.04840	2.8
395.04465	1.0
409.05991	1.0
411.07297	1.3
417.01843	0.9
439.07813	0.7
469.04352	5.8
500.07245	1.8
501.07016	100.0
502.07205	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	501.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84995	0.8
56.30797	0.8
57.03309	1.8
59.01244	100.0
59.02439	2.0
61.98697	5.4
64.41419	0.7
67.34593	0.8
71.00874	1.6
71.01241	26.7
71.04852	1.3
72.99162	2.3
73.02809	19.7
75.00737	0.9
78.88077	0.9
81.03300	1.3
82.95267	12.0
83.01247	6.4
83.04868	2.4
85.02807	11.7
87.00718	4.3
87.04382	4.0
89.02302	9.4
93.03324	3.2
95.01236	1.6
95.04890	5.9
97.02821	1.8
97.06499	0.9
99.00725	3.1
99.04348	1.0
101.02303	22.4
101.05948	1.6
103.36544	0.8
108.54602	0.9
109.02854	0.8
111.04380	2.1
111.08023	0.9
112.89107	0.8
113.02311	13.4
113.05977	2.0
115.03886	1.2
119.03401	4.0
125.02308	2.0
126.03040	0.9
127.03924	1.3
131.03401	1.6
137.09602	1.3
143.03407	2.4
149.09576	1.2
151.07545	0.9
155.03365	2.0
156.40137	0.8
161.04498	4.5
165.09108	6.1
173.04488	2.5
174.01627	1.9
175.07561	1.6
179.05515	1.3
191.05547	3.2
203.14381	6.7
219.13681	1.0
221.15433	15.5
239.16541	2.9
247.13387	2.6
265.14505	5.4
279.16052	1.1
281.17776	1.2
283.15427	2.0
288.18747	0.9
289.14166	1.0
297.17102	10.3
307.15677	1.2
319.38852	1.0
325.16605	1.1
327.21640	2.6
383.20914	1.5
409.18777	7.7
427.19791	17.4
441.21207	7.5
459.22412	33.9
459.28925	1.8
469.20880	3.2
501.23239	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	501.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78973	0.2
51.93126	0.2
57.03314	0.5
58.00453	0.2
59.00092	0.2
59.01243	9.9
59.02522	0.2
61.98684	1.0
64.09453	0.2
64.75690	0.3
67.88867	0.3
69.03303	0.9
71.01239	3.7
73.02808	1.1
83.01237	0.5
83.04883	0.3
85.02789	1.2
87.00716	0.7
89.02296	4.3
91.72803	0.3
95.01234	0.2
97.06429	0.5
101.02304	4.5
106.46563	0.2
111.08030	0.5
113.02295	2.3
119.03394	1.1
131.03355	0.3
143.03387	0.4
149.04416	0.3
149.09576	0.9
149.13234	0.5
151.11156	1.4
156.89716	0.2
161.04425	2.3
167.10681	17.3
168.11197	0.3
177.09099	0.8
179.05534	0.9
185.08167	0.2
191.05479	0.3
195.10204	4.8
197.52272	0.3
203.18025	1.5
221.19078	0.3
228.10049	0.7
239.68243	0.2
247.17009	7.1
251.10794	1.3
252.11104	1.1
253.09273	22.5
253.11348	1.3
254.09732	0.3
265.18100	100.0
266.18460	2.4
303.33188	0.3
381.35007	0.3
464.19214	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50550	0.4
54.67953	0.5
59.01241	18.7
61.98695	3.0
64.75674	0.5
66.34339	0.6
66.80240	0.5
69.03318	0.5
71.01241	4.1
72.20862	0.4
73.02804	1.1
78.09569	0.5
83.01219	0.6
85.02807	1.3
87.00710	1.0
89.02313	3.5
94.86005	0.5
97.06402	0.6
99.00751	0.6
101.02309	6.2
111.08005	1.2
113.02299	2.3
119.03374	1.9
129.66039	0.5
143.07011	2.1
149.09584	1.2
151.11154	0.7
153.09116	0.6
156.41026	0.7
161.04457	1.7
167.10669	16.7
168.11285	0.7
173.00797	0.8
177.09094	0.8
179.05606	1.1
195.10159	3.3
201.10936	0.5
203.17967	1.9
228.09914	0.7
235.08334	0.7
245.57191	0.6
247.17039	6.8
253.09276	23.4
263.16626	0.8
264.16907	0.9
265.18100	100.0
266.18436	3.4
353.08511	0.6
399.23676	0.6
441.24655	0.7
464.18869	0.9
507.63983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10420	0.3
50.66632	0.4
50.66845	0.3
57.50108	0.9
59.01259	0.8
71.53056	0.3
74.06709	0.3
80.91527	3.9
89.02300	1.9
104.56023	0.4
117.03332	14.0
118.04123	3.3
119.01400	0.4
119.04896	23.5
121.02822	6.5
123.04388	1.6
127.30987	0.4
133.02838	1.6
134.03632	0.5
143.04465	0.4
145.02838	36.9
162.03139	3.1
163.03912	11.5
163.04984	0.3
193.94392	0.4
246.61172	0.3
277.21689	0.6
295.21262	1.0
419.28076	100.0
420.28354	1.8
441.25031	1.0
501.37872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80935	0.7
57.03331	0.9
58.00455	2.4
58.78786	0.8
59.01241	27.4
59.02465	0.7
61.54238	0.9
68.99690	0.7
69.03288	0.9
71.01237	13.5
73.02807	12.0
75.00723	1.4
83.01238	2.1
83.04860	0.9
84.02039	1.1
85.02811	4.5
89.02276	4.3
94.84760	0.9
101.02314	6.6
108.96179	0.9
113.02306	10.5
116.92704	3.5
118.83054	1.0
119.03394	2.6
125.05968	2.0
138.37502	0.9
139.07504	1.5
139.59523	0.8
144.90135	1.0
149.79858	1.2
155.14343	0.9
161.04485	2.2
263.23828	3.4
265.25372	2.1
275.23846	7.2
279.23297	100.0
280.23761	1.2
291.23239	1.6
293.24878	76.7
294.25092	2.1
303.23254	7.5
317.24896	2.6
321.24405	21.9
333.24457	2.7
337.23892	2.7
351.25363	3.7
361.23767	3.8
419.19376	1.2
461.21164	1.2
465.11456	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	501.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80935	0.7
57.03331	0.9
58.00455	2.4
58.78786	0.8
59.01241	27.4
59.02465	0.7
61.54238	0.9
68.99690	0.7
69.03288	0.9
71.01237	13.5
73.02807	12.0
75.00723	1.4
83.01238	2.1
83.04860	0.9
84.02039	1.1
85.02811	4.5
89.02276	4.3
94.84760	0.9
101.02314	6.6
108.96179	0.9
113.02306	10.5
116.92704	3.5
118.83054	1.0
119.03394	2.6
125.05968	2.0
138.37502	0.9
139.07504	1.5
139.59523	0.8
144.90135	1.0
149.79858	1.2
155.14343	0.9
161.04485	2.2
263.23828	3.4
265.25372	2.1
275.23846	7.2
279.23297	100.0
280.23761	1.2
291.23239	1.6
293.24878	76.7
294.25092	2.1
303.23254	7.5
317.24896	2.6
321.24405	21.9
333.24457	2.7
337.23892	2.7
351.25363	3.7
361.23767	3.8
419.19376	1.2
461.21164	1.2
465.11456	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69168	0.2
61.97498	1.4
61.98692	100.0
62.00070	1.5
69.03317	1.1
71.02851	0.2
72.99165	3.5
73.02818	0.5
85.02814	0.4
94.10503	0.2
95.19026	0.2
97.02804	1.6
106.58280	0.2
113.02299	3.4
125.02306	8.3
141.01790	1.3
143.03477	0.3
145.32541	0.2
152.82819	0.3
177.09174	0.7
191.10789	0.4
202.06340	0.3
203.14594	0.4
230.09396	0.3
231.13919	0.7
241.12381	0.5
259.13464	1.0
260.10733	0.3
277.14520	0.6
303.12445	0.4
304.72162	0.2
321.13577	0.7
350.02594	0.2
365.12619	0.7
383.13495	15.9
384.14099	0.4
411.13062	1.5
439.12439	6.3
440.12582	0.3
502.12183	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17686	0.2
58.60162	0.2
61.97215	0.7
61.98693	100.0
61.99955	1.9
63.78931	0.2
65.96200	0.2
70.79446	0.2
72.99169	1.1
73.02830	0.3
77.21458	0.2
80.30338	0.2
85.02809	0.3
87.04363	0.4
111.25481	0.3
113.02327	1.1
114.02690	0.2
120.99496	0.3
135.04337	0.3
141.01805	0.7
143.03426	0.5
149.06131	0.3
195.10292	0.3
231.13951	0.4
259.13455	0.4
271.26947	0.3
289.82831	0.3
314.11197	0.3
321.13647	0.8
365.12936	0.3
366.13235	0.3
383.13620	2.1
384.14008	0.3
385.14075	0.8
386.14468	0.7
411.13242	0.4
439.12579	2.3
441.13190	0.9
442.13498	0.5
502.12039	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.4
61.97241	0.9
61.98692	100.0
61.99940	1.9
72.08367	0.2
78.95770	0.8
79.86533	0.2
84.40618	0.2
84.94990	0.3
87.00754	0.8
87.82401	0.2
111.70828	0.2
119.04948	0.2
169.90819	0.2
201.87032	0.2
279.22934	0.2
280.23718	0.3
305.24936	0.6
323.54807	0.2
407.60764	0.2
408.55188	0.2
415.25000	0.3
502.29971	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90750	0.1
53.88063	0.1
59.01234	0.2
60.79626	0.1
61.97443	2.1
61.98692	100.0
62.00142	0.9
65.93976	0.1
74.63082	0.1
74.85326	0.1
77.97446	0.1
78.95775	0.5
79.97379	0.2
84.94971	0.3
87.00732	1.1
91.08908	0.1
112.25333	0.1
124.98251	0.2
240.17274	0.2
249.77930	0.2
255.80989	0.2
278.22012	0.2
305.24799	1.0
394.31522	0.2
396.87943	0.2
415.25159	0.3
442.30115	0.3
446.26520	0.2
502.30988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49645	0.2
56.41958	0.2
59.00971	0.3
59.01245	3.7
60.56596	0.2
61.91249	0.4
61.97407	0.3
61.98695	7.4
62.96271	0.6
63.87574	0.2
71.01238	0.8
71.05643	0.2
78.93915	0.3
78.95760	21.6
83.04883	0.6
87.00736	0.6
96.38765	0.5
96.39297	0.3
121.99990	0.8
128.33330	0.2
134.98460	0.4
137.56842	0.2
139.38873	0.2
140.01056	6.9
140.88853	0.2
152.99500	2.2
153.00687	0.4
166.02650	0.2
179.67978	0.3
187.75476	0.3
196.03732	12.5
214.04788	3.1
252.91574	0.3
275.38379	0.2
287.24042	0.3
299.86432	0.3
304.40997	0.2
305.10825	0.8
305.24872	100.0
306.25229	5.1
326.96463	0.4
392.65552	0.2
394.81845	0.3
451.39526	0.3
459.92557	0.3
502.29431	30.4
503.29544	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	502.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34615	0.2
59.01241	3.7
61.97421	0.8
61.98692	42.5
62.00128	0.3
67.34147	0.2
71.01250	0.4
78.95760	11.6
83.04889	0.5
87.00729	0.5
96.24416	0.2
96.96810	0.5
97.11478	0.2
104.02871	0.2
130.55719	0.2
140.01053	2.5
152.99475	1.7
171.00522	1.2
196.03746	1.2
200.73462	0.2
205.38591	0.4
214.04797	3.6
233.22923	0.2
243.07538	0.2
277.21799	0.5
278.22055	1.0
287.23697	0.3
305.11301	1.0
305.24869	100.0
306.25192	3.2
500.55670	0.4
502.29419	14.6
503.29871	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	4.0
61.98693	2.7
65.36968	1.1
68.13001	1.1
70.11540	1.2
73.66255	1.1
76.76894	1.3
83.47018	1.2
95.26700	1.2
96.47222	1.4
96.95887	1.7
97.06443	4.3
97.99953	5.6
107.04903	4.1
119.04891	4.6
123.04417	3.6
127.26878	1.4
128.22215	1.5
133.02713	1.2
133.06468	31.2
133.07452	1.7
135.04390	5.7
137.05956	4.2
144.05685	5.4
147.04420	1.6
149.05951	4.2
155.62852	1.6
159.04439	1.9
161.05972	52.0
162.03120	3.3
162.06345	1.3
163.03941	6.0
170.07256	1.7
175.03893	4.8
177.05481	6.3
187.04068	1.4
187.07562	1.9
199.11200	2.5
203.03438	1.8
205.05016	25.7
213.09166	2.8
215.07199	2.0
217.12286	100.0
218.12672	2.1
222.05278	7.7
229.05034	3.7
237.58279	1.5
243.10312	10.9
245.11850	9.3
255.13739	3.7
257.11813	2.6
261.11273	11.1
275.13171	1.9
293.11777	1.9
295.13455	3.7
295.89182	1.5
299.13019	3.5
341.17691	4.1
361.18109	2.9
379.19305	7.0
405.16931	2.4
423.18298	6.2
429.19003	1.4
449.16064	32.4
458.80023	1.8
467.17120	61.9
467.47034	1.6
503.14810	35.3
503.26260	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	503.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25057	0.8
51.59555	0.9
59.01241	2.4
61.98700	4.0
76.76902	1.2
78.79773	1.0
84.72384	1.1
95.53480	0.9
96.95858	2.6
97.06450	4.1
97.99949	1.1
101.25664	1.1
107.04863	5.2
109.06414	1.4
119.04881	3.9
120.82078	1.2
121.02888	1.9
121.03732	1.1
123.04371	2.1
125.62400	1.1
131.04799	1.4
133.06464	20.0
135.04376	7.2
135.08090	1.1
137.05975	6.7
144.05696	3.8
149.05995	3.2
151.07582	1.7
159.04434	1.3
161.05960	24.3
162.03136	4.9
163.03935	5.1
175.03946	1.4
177.05513	4.5
179.03404	1.6
179.07043	1.9
182.03654	1.2
184.08897	1.4
187.07500	1.1
199.11226	3.4
203.03418	1.6
205.05017	11.5
213.09154	1.3
217.12297	79.7
222.05289	6.0
223.06070	1.4
229.05051	7.2
235.46040	1.4
243.10263	10.4
245.11818	8.3
255.13763	2.9
261.11310	8.6
267.10605	1.2
280.92310	1.1
299.12851	3.8
341.17545	4.9
379.19305	4.6
423.18173	4.9
449.16098	13.7
467.17130	100.0
468.17590	4.2
503.14758	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	503.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02001	1.9
54.31085	1.8
54.50159	2.1
57.65088	1.8
59.01229	3.9
61.98687	7.4
70.84509	2.3
89.61796	2.2
90.07113	2.6
95.60835	2.2
96.95885	3.3
113.26195	2.3
119.04872	5.2
123.04395	3.6
133.06467	27.0
144.05737	5.0
159.04489	3.4
161.05986	43.6
205.04977	20.5
217.12291	100.0
243.10384	3.5
245.11682	3.0
255.13872	3.8
261.11398	15.7
287.83557	3.1
299.12912	4.9
313.11688	3.1
376.56082	3.0
379.19296	3.8
423.18268	4.4
449.16656	3.8
467.17139	11.0
503.14639	16.1
503.26639	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	503.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30964	0.5
57.03313	1.8
58.00463	0.5
59.01244	29.3
59.02436	0.7
63.36614	0.4
63.45382	0.5
69.03300	0.6
71.01242	23.0
72.99164	1.1
73.02803	3.6
75.00716	0.7
78.95771	1.2
79.70958	0.5
81.03291	0.8
83.01244	1.8
85.02806	12.7
87.00731	9.0
89.02299	33.8
90.02550	0.5
93.03300	3.2
95.01224	1.7
96.96821	1.7
97.02789	0.9
99.00735	1.5
99.04354	2.1
101.02306	17.8
102.20670	0.6
109.02789	1.3
111.00735	0.6
111.04371	0.8
113.01560	0.8
113.02320	13.9
119.03373	6.5
121.65858	0.5
125.02319	1.4
125.32222	0.5
127.03873	1.4
131.03363	2.1
143.03391	3.6
149.04471	1.2
159.02863	0.7
160.06052	1.4
161.00795	1.9
161.04451	13.5
167.03435	0.7
168.99913	0.7
173.04477	1.5
179.05536	32.8
191.05545	100.0
192.05884	1.7
206.95479	2.0
221.06639	19.0
227.28000	0.6
281.08795	1.8
294.16235	0.6
299.02847	0.9
311.96750	0.6
313.83209	0.6
323.09814	2.6
341.11023	3.6
503.16223	30.4
504.16956	1.1
504.61969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80021	1.0
55.07311	0.9
57.03305	1.8
58.00452	1.5
59.01242	81.7
59.02448	1.0
69.03300	1.9
71.01240	73.3
71.02833	1.3
72.99149	3.3
73.02814	11.0
75.00734	1.6
83.01237	3.2
85.02801	20.7
87.00734	23.9
89.02297	100.0
93.03290	2.1
94.42284	1.3
95.01237	4.1
96.95853	3.1
97.02798	1.8
99.00748	2.9
101.02302	55.6
104.63334	1.1
109.02843	1.2
111.00708	1.6
111.04333	1.4
113.02309	34.4
115.03848	1.6
119.03371	18.9
122.20679	1.1
125.02305	4.1
127.03873	2.4
131.03380	6.4
136.93883	1.1
142.64841	1.1
143.03387	8.9
144.33705	1.1
149.04436	4.1
154.98352	2.7
156.99828	1.1
161.04459	18.9
179.05525	97.9
179.11990	1.3
191.05534	93.8
192.05838	2.2
202.98462	1.3
204.99759	1.9
221.06628	61.0
263.07755	1.9
281.08817	6.1
285.58823	1.3
290.94067	1.7
310.99280	1.3
323.09738	8.7
336.94489	3.1
341.10947	9.4
381.94025	1.7
383.11765	2.4
442.96417	2.1
470.93036	2.8
503.16217	82.2
504.16577	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	503.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.9
57.03313	3.4
58.00447	2.5
59.01242	100.0
61.33691	1.5
63.29343	1.8
64.18240	1.9
71.01241	66.5
72.99168	4.3
73.02797	7.8
74.02334	5.8
78.95763	7.0
82.02812	2.7
83.01237	5.1
83.04892	2.6
85.02802	20.7
87.00735	7.3
87.05468	2.7
89.02299	98.0
90.05379	2.1
95.01282	3.5
96.00770	2.1
96.95871	64.8
96.96849	7.3
97.02807	3.7
98.95408	2.3
99.00741	5.0
99.05483	5.5
101.02300	39.8
101.07084	2.6
113.02305	37.4
113.03488	2.4
119.03369	44.3
119.04798	2.4
121.06455	5.2
125.02298	15.7
127.04987	5.9
128.03401	27.5
131.03368	4.8
135.04395	26.2
137.02310	4.5
139.03848	2.1
143.03383	13.1
143.04512	20.0
145.06044	5.1
146.04506	3.6
149.04491	3.1
149.05983	4.5
151.07541	62.9
151.08737	4.4
160.00620	3.5
161.04440	19.1
165.01842	3.4
167.03334	5.8
172.74539	2.2
179.03427	22.5
179.05528	82.8
179.07030	6.7
194.97151	2.5
195.06549	25.4
197.12914	3.9
210.08844	6.3
219.06566	2.5
241.11896	6.9
247.08214	12.4
254.08026	3.0
272.08972	6.4
281.14014	7.5
288.06711	3.1
295.18814	2.6
300.52029	2.8
305.06778	5.1
305.14120	2.4
306.07684	34.6
341.08792	11.8
467.11893	13.9
485.19043	8.1
503.17896	61.9
504.17264	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	503.2077
Annotation	Artoindonesianin L
Peak:m/z	Relative Intensity
51.43443	0.7
52.07197	1.0
55.01752	1.2
55.27591	0.8
56.50781	0.7
59.01231	2.7
61.98692	1.0
78.95760	9.0
96.63152	0.9
98.97947	0.9
101.05971	1.7
109.02818	1.2
123.04400	1.3
123.08037	2.1
127.19539	1.0
135.97656	0.9
152.99478	1.8
171.00615	2.3
187.23593	1.0
249.05693	1.1
252.04283	2.6
291.06790	3.6
295.09668	6.3
305.08243	1.7
306.09128	1.5
307.09729	1.9
333.07639	1.8
347.12952	1.2
351.12460	3.1
373.14420	1.7
376.13330	1.7
391.19409	2.4
419.18781	3.9
431.15039	3.0
432.15680	2.3
459.21799	4.4
475.21301	100.0
476.21835	4.9
502.29498	3.1
503.20816	21.0
503.29785	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	503.2078
Annotation	Artoindonesianin L
Peak:m/z	Relative Intensity
58.67262	1.0
60.85900	0.8
61.98676	1.1
65.48950	0.9
69.02175	0.8
71.92155	0.8
80.14380	0.9
91.38382	1.1
101.05933	3.3
111.49823	0.9
120.83324	1.1
123.04375	3.6
133.02791	1.6
135.04437	1.1
161.80737	1.1
183.01169	3.3
202.02649	2.0
217.08659	2.8
245.08096	5.3
246.08986	3.2
247.09804	1.4
261.09131	1.7
263.07297	2.4
263.10782	2.1
275.07480	1.3
277.08563	2.7
289.08704	2.5
291.06613	4.7
292.07440	4.4
295.06018	1.6
303.06305	1.1
303.10352	1.4
305.08197	7.9
306.08960	3.3
307.09814	9.0
316.07339	2.4
317.08246	1.2
318.05075	1.4
319.06155	2.8
319.09912	1.6
329.08209	3.1
330.09055	3.0
333.07739	8.1
335.09500	2.6
335.12939	1.4
338.11655	1.7
339.12445	4.1
339.19983	9.5
355.13675	1.2
358.08475	2.2
373.14517	4.1
375.12216	2.7
376.13159	2.0
389.14243	1.5
390.14813	1.6
391.15497	8.4
391.19720	1.4
400.13004	1.7
401.13828	9.2
403.11588	2.9
404.12769	2.1
418.14401	2.5
419.14960	5.7
431.22348	2.9
457.20483	2.2
459.21664	1.9
475.15115	1.2
475.21164	5.0
485.19803	4.0
503.20810	100.0
503.28448	3.2
504.21127	3.9
509.82956	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57285	0.5
50.76168	0.6
57.03320	0.9
58.09806	0.7
59.00015	1.6
59.01242	100.0
59.02341	1.5
64.28011	0.7
65.54128	0.7
69.03298	1.4
71.01238	24.4
71.04877	12.4
71.44250	0.7
72.99177	1.2
73.02804	33.3
73.04355	0.8
75.31558	0.8
79.26912	0.6
81.03316	6.0
83.01244	10.9
83.04895	1.1
85.02800	6.7
87.00723	1.2
89.02301	12.2
94.97968	2.7
95.01253	1.4
97.02804	5.4
99.00747	2.1
99.04389	2.9
101.02305	30.1
101.86638	0.7
102.57590	0.8
107.98631	0.7
113.02303	11.8
113.05995	0.7
115.03874	54.7
119.03363	4.0
125.02320	2.1
126.03095	1.6
131.03409	2.2
137.09615	2.0
137.38657	0.7
139.11185	4.0
143.03450	2.2
149.04425	1.0
161.04466	7.2
163.11211	1.3
175.14845	4.1
179.05576	1.7
181.12300	1.2
191.14398	2.0
193.15900	20.0
209.15373	0.9
217.16071	0.8
218.03653	0.7
222.62724	1.0
237.14932	23.7
255.15987	9.8
273.98120	0.8
297.17154	2.5
351.14520	1.0
399.20218	8.4
417.21219	6.9
459.22464	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	503.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42555	0.5
54.80006	0.4
57.03311	0.6
59.01242	100.0
59.02466	1.7
64.21503	0.4
66.97877	0.5
67.05784	0.5
69.03317	1.5
71.01240	24.0
71.04876	9.2
72.01556	0.8
72.82871	0.5
72.99178	0.7
73.02805	38.7
73.04491	0.7
75.37309	0.5
81.03316	6.0
83.01237	9.3
83.04893	1.2
85.02801	7.3
87.00749	1.5
88.88303	0.5
89.02293	12.6
95.01257	1.6
97.02815	4.8
97.06453	0.6
99.00765	1.9
99.04361	2.8
101.02304	31.8
113.02313	12.3
113.05920	0.8
115.03873	44.9
115.07224	0.8
116.04195	0.7
119.03361	4.4
125.02353	2.1
126.03118	2.2
131.03429	2.0
137.09605	2.1
139.11163	3.6
143.03363	3.3
149.04454	2.3
155.03493	0.8
156.86317	0.6
157.04950	0.7
161.04451	9.5
163.11185	1.0
173.47725	0.8
175.14876	2.9
177.67616	0.6
179.05577	2.4
191.14452	1.4
193.15901	18.0
193.17503	1.2
203.05582	0.7
209.15518	0.9
211.26363	0.5
212.27475	0.6
217.15923	0.7
219.13940	1.5
235.17015	0.8
237.14934	18.2
239.16502	0.9
255.16032	11.4
255.18448	0.8
297.17099	3.1
310.11429	0.7
322.93103	0.6
351.18411	0.7
399.20273	16.9
417.21399	9.4
459.22491	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42435	0.3
57.03316	0.7
58.00475	1.0
58.99939	1.3
59.01241	100.0
59.02387	1.7
61.86067	0.4
61.98688	0.4
71.01238	42.4
71.02762	0.8
71.15585	0.4
72.99173	1.1
73.02813	1.3
80.44019	0.4
83.01237	0.8
85.02808	5.9
85.17535	0.4
87.00745	2.7
88.99909	0.8
89.02296	72.8
89.04414	1.1
90.01274	0.4
92.88019	0.4
95.01232	2.1
96.95872	1.5
96.96817	0.5
101.02303	24.4
102.02647	0.4
102.04568	0.4
107.03326	0.5
113.02305	22.3
119.03367	31.3
125.02320	0.5
131.03368	3.2
143.03395	7.2
149.04436	3.3
149.54935	0.4
157.70155	0.4
161.03186	0.5
161.04451	9.2
179.05525	33.3
241.62634	0.4
244.55356	0.4
273.50760	0.4
281.13828	0.5
443.19232	22.4
444.19592	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89209	0.5
53.52687	0.5
55.01750	0.8
56.61953	0.5
57.03316	2.2
58.00462	0.7
59.00051	2.2
59.01243	100.0
59.02569	1.2
61.98687	0.7
63.21512	0.5
65.81100	0.5
65.83664	0.4
69.03330	1.4
70.99693	0.6
71.01241	42.6
72.99171	1.5
73.02805	17.4
73.03203	1.0
75.00720	0.5
81.03302	0.6
83.01243	7.3
85.02806	24.2
86.16879	0.7
86.17394	0.6
87.00728	4.3
87.04395	1.1
89.02296	13.0
91.72797	0.9
94.69642	0.6
95.01245	3.5
95.25911	0.6
96.95863	0.7
97.02818	1.6
99.00736	8.5
99.04375	0.6
101.02304	29.3
103.03264	0.6
103.03877	2.8
111.00729	0.5
113.02309	22.1
115.03884	1.7
115.27988	0.6
119.03379	3.5
125.02340	2.8
127.03811	0.8
129.01810	0.7
131.03381	2.2
143.02391	0.6
143.03447	3.3
145.04962	0.8
153.12730	0.7
159.02905	4.5
161.04454	21.3
163.06038	1.7
173.04500	0.8
177.85915	0.6
179.05492	1.5
205.07114	1.6
249.14876	0.8
265.81833	0.6
269.06168	0.6
269.92566	0.6
287.83417	0.7
292.84747	0.6
297.16971	1.3
315.18158	24.7
329.18011	0.6
357.19180	2.1
403.44727	0.5
459.23361	0.9
461.23975	95.8
462.24429	2.3
503.25006	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2653
Annotation	Lotusine D
Peak:m/z	Relative Intensity
60.10694	1.1
61.98688	3.6
62.08260	1.2
75.32468	1.1
81.03316	2.2
87.00732	1.2
87.50505	1.5
93.03310	3.3
108.02036	27.0
109.02821	43.8
111.00747	2.3
125.02336	1.9
151.00259	8.5
152.01045	50.1
153.01825	38.6
165.01819	2.8
183.80818	1.3
237.14838	1.6
247.09665	1.8
255.16101	6.1
258.66565	1.5
272.03821	1.5
279.23380	2.9
306.13098	1.6
333.24387	5.3
349.23672	1.9
441.26370	3.3
459.21698	1.6
459.27789	3.4
475.39709	1.8
503.26553	100.0
504.26785	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	503.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35390	1.7
59.01236	5.8
61.98695	8.7
62.20615	1.7
66.03350	12.8
68.01273	2.0
71.01248	5.2
73.02802	2.9
73.23042	1.6
78.95729	1.9
82.02842	31.8
87.00726	3.5
91.73379	2.2
94.02843	4.6
96.04437	2.4
96.95782	2.3
110.02340	100.0
111.01870	7.8
117.68199	2.2
120.04423	2.7
121.02830	3.3
122.02350	9.2
124.03939	2.3
140.03403	11.0
152.12712	1.7
153.02994	9.4
164.03430	6.9
173.99715	1.8
177.15268	1.9
182.04515	8.2
213.91731	2.0
233.07326	2.1
277.21680	16.4
279.23346	5.7
280.23669	5.9
294.25403	3.6
295.25598	2.9
357.22931	3.1
383.20831	6.7
401.72183	2.0
460.27216	10.5
467.12909	8.8
503.27640	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	504.3096
Annotation	Talaroconvolutin B
Peak:m/z	Relative Intensity
53.10501	0.5
54.98404	0.4
58.02588	0.4
61.98686	1.4
63.04953	0.4
78.95761	17.7
84.94998	0.6
87.00740	3.2
91.79404	0.8
91.79900	0.5
118.94337	0.4
119.04884	0.9
145.02815	0.9
152.99492	3.2
155.10115	0.5
155.36076	0.5
163.03906	0.6
168.04234	3.6
173.29343	0.5
193.67433	0.5
224.06877	9.8
242.07948	2.2
268.47635	0.5
276.89075	0.5
279.23303	100.0
280.23605	0.9
414.03543	0.6
415.25513	0.6
460.27850	1.2
504.30981	31.2
505.31900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.099
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
50.40239	0.2
57.72776	0.3
58.76015	0.3
59.01014	0.2
59.01242	2.5
61.98682	0.5
63.02258	0.4
65.00172	1.3
69.03893	0.3
71.01236	0.7
71.24240	0.5
73.02798	0.4
83.01237	1.1
89.02278	0.4
90.29148	0.5
91.01729	0.4
95.68733	0.6
95.69362	0.6
96.95858	0.4
99.80171	0.3
101.02305	0.6
101.58550	0.5
104.75438	0.3
107.01254	2.9
108.02042	1.7
109.02803	1.8
121.02818	1.0
125.02303	0.3
135.00754	0.7
135.27277	0.3
144.25409	0.3
147.00679	0.3
148.01564	1.5
148.39090	0.3
151.00255	9.8
157.08647	0.5
163.00273	3.4
163.03958	0.5
164.01047	1.0
169.01334	0.7
171.04344	0.5
173.04564	0.4
174.03026	0.7
175.04010	0.4
178.99742	4.9
183.04407	0.6
187.03911	0.8
187.09650	0.4
190.99779	0.4
192.00444	0.3
198.03145	0.9
199.03925	1.8
200.04744	0.4
201.01996	0.4
202.16704	0.3
203.03377	0.3
211.03951	1.4
213.01895	0.4
215.03526	1.2
216.04193	0.9
226.02684	4.5
227.01427	0.4
227.03464	4.9
228.04231	0.5
229.04965	0.5
241.14342	0.3
242.02228	0.4
243.02977	19.0
244.03604	0.7
245.04459	1.3
254.02196	4.8
255.02977	28.0
256.03476	1.0
271.02493	84.3
272.02997	4.7
273.04068	0.8
279.63535	0.4
283.02560	1.3
299.01987	1.2
300.02759	100.0
301.03516	32.9
302.03839	0.7
343.04572	0.8
385.12827	0.9
445.20511	0.4
463.08881	2.7
475.16235	0.8
505.09918	88.6
506.10153	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	505.102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24150	0.1
52.78325	0.1
59.01232	0.4
66.58232	0.1
71.01219	0.1
72.25180	0.1
72.99152	0.3
73.02780	0.1
78.95763	4.5
79.95592	2.0
80.91544	1.2
91.79109	0.1
95.17358	0.1
96.93069	0.9
96.95872	100.0
96.96783	11.1
96.98315	1.5
97.02782	0.1
97.95804	0.2
113.02298	1.0
125.02323	0.9
165.03467	0.1
202.57155	0.1
334.53278	0.1
335.99750	0.1
367.13953	1.4
423.13043	0.5
431.55328	0.1
447.56155	0.1
505.11966	0.9
505.26547	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	505.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02672	0.1
59.01242	2.6
60.01564	0.2
71.01231	0.5
71.04863	0.2
73.02809	0.7
78.95760	1.9
79.95596	1.8
81.03340	0.2
83.01250	0.3
89.02311	0.2
95.81107	0.1
96.93587	1.1
96.95871	100.0
96.96860	3.6
96.98512	1.3
97.95782	0.3
101.02301	0.3
114.02750	0.1
115.03881	0.9
116.04242	0.4
120.60092	0.1
122.78712	0.1
136.39572	0.1
181.12222	0.2
191.59651	0.1
194.16435	0.2
217.15927	0.3
217.28377	0.1
231.75987	0.2
237.14972	0.2
238.15305	0.2
245.15561	0.4
284.01068	0.1
299.78854	0.1
333.13547	0.3
351.14517	1.3
407.13562	0.5
505.10461	0.2
525.12567	0.1
527.33179	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	505.1147
Annotation	Balsaminone B
Peak:m/z	Relative Intensity
56.10739	0.4
59.01256	1.0
61.98701	0.5
69.85319	0.6
70.93314	0.4
71.01242	0.7
72.99174	0.6
73.02792	0.5
78.95767	0.5
81.03332	1.1
89.02328	0.5
93.03307	0.5
95.01231	0.5
96.95871	10.8
96.96820	0.7
102.71888	0.4
107.01267	0.5
108.02059	0.7
109.02826	1.7
113.34396	0.4
125.02327	1.6
133.02840	0.8
134.03642	0.9
135.04401	1.8
147.04428	0.9
150.03157	0.5
151.00255	4.5
152.01010	0.6
153.01843	1.3
158.54721	0.4
162.03127	21.7
163.03918	1.8
165.05444	0.8
177.05487	22.9
179.03380	2.1
185.02365	0.6
188.06494	0.5
191.03479	0.7
193.72459	0.5
199.03969	0.7
210.03140	0.5
211.03944	0.9
213.01906	0.9
214.02673	0.5
226.02580	0.8
227.03473	11.8
228.04135	1.2
229.01465	0.7
241.01552	1.0
242.02191	1.2
243.02869	0.7
245.00996	0.6
250.02701	0.6
251.03545	1.5
255.02959	4.2
256.03757	6.7
268.03787	0.6
270.05356	7.2
272.08426	0.4
273.00336	0.5
278.02289	0.9
279.03015	1.4
280.03851	0.6
288.02838	2.8
301.08661	0.7
302.04300	5.9
315.06693	0.6
316.07434	0.6
317.08185	1.3
323.05710	0.6
327.06656	0.7
329.04578	0.6
329.08246	1.3
339.06830	1.0
340.07428	0.6
341.08246	0.6
343.06158	1.1
344.06912	2.0
345.07776	2.7
351.08920	0.6
353.10352	0.7
355.05997	1.4
356.06955	0.7
357.07751	2.5
359.09375	1.4
367.06403	0.9
367.13910	1.0
369.07645	1.1
371.05283	0.7
371.09402	0.6
372.06198	0.9
372.10342	0.5
373.07324	4.4
374.07803	0.6
375.08914	0.6
383.05566	1.4
384.06314	1.5
385.07193	3.5
387.09091	2.4
388.09543	1.8
395.05453	0.6
398.07922	1.1
399.08875	1.9
400.05841	2.1
401.06717	6.7
402.07419	1.7
403.08228	1.2
413.06720	2.9
415.08261	6.6
416.09052	15.4
417.09863	6.2
418.10623	1.2
427.08322	0.7
428.09085	3.2
431.11462	9.6
443.11993	2.2
445.20956	1.9
446.10336	1.0
457.05301	0.6
459.06876	0.7
461.12515	8.1
475.10452	10.9
475.16849	0.7
487.10211	1.3
490.08987	1.8
505.11469	100.0
506.11871	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	505.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24039	0.4
53.79893	0.4
57.03309	1.0
59.01244	3.9
60.99149	0.6
61.98693	31.9
65.99706	3.3
67.01471	0.5
67.01753	5.6
68.99683	0.8
69.03317	1.2
71.01229	2.3
73.02791	0.5
79.01740	1.4
81.03312	16.5
83.04877	1.5
85.02801	2.3
87.00724	2.3
93.03316	20.9
94.04482	0.5
95.01247	5.0
96.95864	1.2
97.02805	1.8
101.02290	1.1
103.05816	0.4
107.01252	9.1
108.02042	8.8
109.02807	13.6
111.00764	2.0
111.04386	5.6
113.02303	0.6
121.02808	1.3
123.00745	8.4
123.04375	0.9
125.02311	23.1
126.02608	1.4
127.03928	0.8
129.01785	1.0
134.03592	0.8
135.04420	0.6
137.02307	4.2
139.03911	0.8
146.03627	1.0
151.00256	100.0
152.01045	27.4
153.01819	14.9
153.63478	0.6
155.03406	5.6
161.02357	0.6
161.04448	0.6
161.05933	0.9
164.04587	0.5
165.01855	1.2
165.05449	0.8
167.03419	1.8
173.04460	57.2
173.10530	0.8
174.04802	0.6
177.01863	1.6
179.03400	1.4
179.07060	1.2
180.03775	0.6
191.05539	15.4
204.99911	0.7
224.27135	0.5
244.15247	0.6
301.07178	6.9
305.06631	3.2
306.06985	4.8
313.07178	5.0
325.05682	5.1
327.07303	0.7
331.08240	20.7
332.08533	0.8
341.08871	0.7
343.08218	0.6
343.12054	0.8
406.46875	0.6
442.12265	3.4
444.19193	0.6
480.15259	0.7
505.04025	0.7
505.05597	1.0
505.13535	12.3
505.20850	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	1.2
59.00974	0.4
59.01244	6.4
60.99149	0.6
61.98700	1.7
63.99104	0.3
64.64088	0.3
65.99695	0.9
67.01746	4.5
67.62422	0.3
69.03302	1.2
70.77197	0.2
71.00872	0.6
71.01242	8.1
72.99187	0.4
73.02807	4.2
81.03316	5.5
83.01231	1.0
83.04872	0.8
85.02801	2.6
87.00730	0.6
87.16676	0.3
89.02290	1.2
93.01021	0.5
93.03316	30.1
95.01229	1.9
95.54279	0.2
96.95857	1.6
97.02794	0.3
99.00729	0.6
99.04356	0.4
101.02306	2.9
107.01238	2.9
108.02038	2.9
109.02814	6.8
111.00723	1.1
111.04375	4.8
113.00148	0.3
113.02309	2.6
117.49376	0.3
119.03310	0.3
121.02785	0.4
123.00766	2.2
125.02312	5.3
135.04384	0.4
137.02322	5.0
146.03537	0.4
150.95464	0.4
151.00258	28.7
152.01048	8.4
153.01819	8.1
155.03391	4.6
159.02892	0.4
161.04497	2.4
161.05727	0.6
165.05457	0.8
172.98627	1.1
173.04460	100.0
173.11140	0.7
174.04797	1.2
178.02690	0.3
179.06993	0.5
191.05537	2.8
193.05045	0.4
204.99825	0.6
263.70132	0.3
265.14511	0.3
283.15506	1.5
301.07129	1.4
313.07138	0.8
314.01181	0.3
325.05835	2.5
331.08255	13.0
332.08621	0.5
343.08154	0.6
343.11893	0.4
348.88470	0.3
445.20813	12.5
468.10196	0.3
505.13449	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1386
Annotation	Streptonigrin
Peak:m/z	Relative Intensity
54.92768	0.2
57.03328	0.3
57.07439	0.2
59.01245	2.3
61.98679	1.0
71.01239	3.9
72.99176	0.5
73.02802	1.9
76.77513	0.7
78.95747	0.4
79.95586	3.8
80.91544	0.5
80.96368	0.8
83.01239	1.2
85.02801	2.6
89.02294	0.9
93.03319	0.5
95.01225	0.3
95.95111	1.8
96.93291	1.4
96.95869	97.0
97.02827	0.4
99.00734	0.7
101.02308	5.1
109.02817	1.1
113.02297	3.0
121.02786	0.4
125.02299	0.7
135.04430	1.1
138.96933	0.5
147.08025	0.7
153.01845	1.3
154.02165	0.9
155.02309	0.6
159.04430	0.3
161.04510	0.5
165.05504	0.8
168.91029	0.4
177.05635	0.4
179.03424	1.0
187.65613	0.3
191.07043	1.0
203.07082	0.5
221.08217	0.4
225.00696	0.8
241.00179	1.9
256.99725	1.6
263.12872	3.4
277.05176	0.3
307.10501	1.7
367.13818	0.5
407.10245	3.9
425.18234	6.5
439.11624	0.4
445.21182	1.5
457.16528	1.0
469.16742	0.8
475.17950	0.6
487.17136	0.9
505.13892	100.0
506.14041	4.5
523.67969	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02438	1.1
53.57927	1.1
57.83600	1.1
59.01233	1.8
61.98690	1.5
64.56184	1.2
71.01239	2.6
73.02786	1.3
80.91560	1.2
92.92639	1.5
93.03310	3.5
96.95872	30.2
101.02360	1.7
108.02055	3.9
109.02825	18.2
111.00700	1.3
113.02343	2.3
117.25535	1.5
117.81115	1.4
119.83832	1.4
121.02811	6.5
123.04375	2.8
125.02367	2.6
133.02817	2.0
134.03638	2.2
135.04422	7.6
136.01543	2.5
137.02368	2.6
145.02882	3.6
146.03621	2.5
147.00677	1.9
147.04413	4.3
151.03896	2.4
159.04440	3.9
161.02339	12.3
166.06302	3.9
173.02374	3.3
175.03870	2.1
177.01857	1.7
177.46994	1.3
179.03448	2.6
199.81607	1.3
202.02667	2.8
202.91409	1.4
203.03404	3.0
237.05597	3.3
238.06328	1.9
239.07149	2.6
239.51102	1.4
249.05679	1.6
250.82419	1.8
251.07167	2.5
252.04414	1.5
252.07948	2.6
253.08817	1.8
264.04367	2.7
265.04941	1.6
266.05893	2.3
267.06580	8.8
269.08362	1.5
278.05878	3.7
280.07477	2.3
281.08240	3.6
283.09619	1.9
285.07764	1.8
290.06073	3.0
291.06747	1.7
293.08316	1.8
295.09561	2.5
299.09503	2.1
309.07730	2.9
311.05740	1.9
311.09235	5.1
312.10074	7.9
321.07693	6.2
322.08469	4.4
323.09283	5.0
324.06329	2.6
330.09125	1.6
336.10187	3.3
337.10843	8.7
338.11871	2.5
339.05072	9.1
339.08856	5.3
340.09497	6.3
353.10400	5.2
354.11142	10.3
355.11871	3.5
372.05750	1.9
372.10440	1.5
373.10892	1.8
375.12363	3.2
381.09204	1.5
385.11047	2.8
385.20267	5.6
401.10236	2.8
403.12158	2.4
415.11816	5.2
416.12686	1.6
431.11377	11.4
439.08218	1.6
445.13583	2.6
445.21027	6.4
446.13773	25.8
457.09616	3.0
457.16544	2.2
460.11316	1.5
461.08987	21.7
461.16132	100.0
462.09900	1.8
462.16599	5.6
472.11780	4.5
475.13275	13.4
487.13885	17.2
505.14929	43.2
506.14505	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	505.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.4
61.98695	2.7
71.04897	2.3
85.02808	3.2
91.73425	3.0
94.85375	1.6
96.95898	4.5
97.02802	2.2
97.06447	2.4
97.83113	1.5
125.05976	3.2
132.02132	2.9
133.06448	2.5
134.43523	1.7
135.07993	2.2
144.05684	2.6
147.04417	5.4
152.99529	2.3
161.05966	12.5
163.07594	3.3
175.03954	4.0
178.50137	1.9
187.07567	2.6
199.11223	2.7
206.05824	5.3
207.06583	21.1
217.12303	100.0
218.12628	2.7
221.04463	2.7
245.11719	12.4
255.13916	2.1
261.11346	39.0
271.13367	2.5
292.86008	1.9
297.14883	3.4
309.14996	3.0
363.19794	2.2
364.93866	2.0
381.20831	4.3
407.18613	4.0
425.19595	10.0
445.20682	4.4
447.54422	2.2
469.18869	6.7
498.68384	2.2
505.16193	20.2
513.12195	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	505.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	4.1
59.63498	1.4
61.98686	6.0
71.04861	2.4
79.69055	1.4
96.95879	4.2
97.02821	3.2
107.04915	2.6
116.18407	1.8
125.05956	2.2
133.06462	2.7
134.81819	1.8
140.89424	1.8
141.37794	1.7
144.05737	2.3
146.07404	1.8
157.83182	1.8
161.05998	10.7
163.07516	2.3
165.05432	2.1
175.03958	2.7
206.05882	2.2
207.06546	21.0
217.12302	100.0
217.68234	1.9
218.12727	2.3
245.11774	2.8
259.13501	2.8
261.11322	37.2
271.13470	2.5
365.14972	2.2
381.20920	2.8
407.18494	3.5
425.19717	8.3
445.20877	4.2
458.50961	2.3
505.16031	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	505.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21799	0.3
71.01231	0.9
72.00767	6.3
73.02787	0.5
74.02328	11.4
81.12682	0.3
85.02794	0.5
89.02337	0.4
93.03333	0.5
96.95872	0.6
101.02284	0.6
109.02794	0.3
113.02310	0.5
116.04925	32.1
117.05259	0.3
124.01527	8.0
125.02317	0.9
129.53062	0.3
130.06482	2.1
132.08067	0.4
138.99152	0.3
139.03894	29.6
142.06511	9.3
157.07568	0.5
159.04449	0.5
159.09183	8.7
161.04472	2.2
175.03885	0.9
186.05539	1.6
187.03938	0.6
203.08203	100.0
203.15584	0.9
204.08546	2.4
215.03409	0.6
243.02979	0.7
259.03943	0.4
261.04080	0.5
301.05130	1.0
301.09293	1.1
305.03052	0.9
305.06491	0.5
393.46680	0.3
442.93573	0.3
445.11810	1.9
446.11838	0.4
461.07047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36988	1.4
51.81416	1.5
58.78703	1.3
59.01238	4.8
61.98692	3.5
67.51120	1.4
71.88847	1.4
93.03319	7.2
96.95871	31.6
101.02273	2.0
101.20251	1.9
108.02048	9.6
108.30230	1.6
109.02824	5.3
119.04865	3.5
121.02823	100.0
123.04373	3.6
125.02315	2.8
133.02853	5.5
135.04404	6.6
137.02295	2.2
145.02817	4.3
145.06429	2.8
147.04416	5.9
147.08032	3.2
150.03137	5.7
151.03908	3.8
153.01944	2.5
157.06509	2.3
159.04451	3.7
159.15373	2.0
160.05214	6.3
161.05968	3.0
162.03030	1.9
165.05556	2.8
175.03915	2.6
175.07545	8.9
177.05470	3.8
178.02597	2.0
179.03375	4.9
187.03912	1.9
189.05545	3.4
193.05020	5.8
237.05507	2.4
239.07104	2.0
240.04440	2.5
241.05138	3.0
251.03609	2.3
251.07100	3.4
253.05139	8.0
256.03766	2.1
263.07028	3.0
265.04962	4.7
265.08719	6.1
266.05957	2.7
266.09479	6.8
267.06735	2.3
267.09897	2.5
269.04654	11.6
269.07315	3.1
270.05121	3.1
275.07092	2.3
279.06702	4.2
280.07367	5.3
281.04623	19.0
281.08243	5.9
284.06940	7.5
293.08115	2.9
294.08957	2.6
296.06961	20.3
297.07663	3.5
299.09308	7.4
309.11346	3.9
311.09250	27.9
321.07639	3.1
325.10986	3.2
336.10126	2.8
339.12332	5.2
354.11075	2.0
358.91223	2.3
367.13953	2.7
369.13828	8.6
385.20270	12.3
397.10852	4.4
400.13010	2.9
409.10706	2.7
412.13416	4.2
415.15683	3.0
427.11185	2.8
427.16086	3.5
429.13434	3.6
430.14352	2.3
442.14215	6.6
445.16483	25.7
457.17566	25.5
460.15057	5.7
472.15381	15.1
475.11002	2.3
475.17627	60.8
476.18463	2.6
487.17651	95.5
505.11365	11.0
505.18732	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1872
Annotation	(+)-Lariciresinol 9'-p-coumarate
Peak:m/z	Relative Intensity
53.95244	0.9
57.81642	1.0
58.46099	1.0
59.01234	2.4
61.98682	3.3
69.02725	1.0
71.01226	1.3
96.94934	1.1
96.95877	10.0
101.02321	1.7
117.03327	19.4
117.77579	1.1
119.01553	1.3
119.04891	73.1
121.02823	3.4
132.56422	1.2
133.02800	1.8
134.62006	1.1
135.04375	2.4
136.01479	2.0
137.02303	1.7
145.01707	2.4
145.02835	40.4
147.04413	1.6
151.03925	1.8
163.03902	53.0
177.05475	6.7
213.71654	1.2
223.49355	1.3
231.69832	1.1
313.16925	1.4
327.12531	1.8
445.20993	4.6
505.18726	100.0
506.18939	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	505.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56539	0.4
57.03324	1.5
58.00469	1.5
59.00182	1.3
59.01242	100.0
59.02462	1.8
63.88699	0.4
65.11673	0.4
67.46956	0.4
69.03308	6.0
70.99486	0.5
71.01239	46.7
71.02836	0.7
71.74876	0.4
72.29844	0.4
72.99163	3.7
73.02805	22.1
75.00723	0.9
75.99260	0.4
78.05501	0.4
80.62525	0.4
81.03318	4.4
81.03733	0.5
83.01234	4.4
83.04872	0.6
85.02807	19.1
87.00723	2.6
87.04398	0.8
89.02299	33.4
93.03325	2.0
95.01261	1.6
96.95889	1.1
97.02804	9.8
97.03370	0.7
97.06446	0.6
99.00743	2.9
99.04377	1.3
101.02301	40.2
101.05008	0.5
101.05977	1.1
103.03871	31.2
103.06677	0.6
109.02835	1.3
111.00771	1.9
111.04398	1.6
113.02289	4.6
115.03875	1.6
119.03363	14.7
119.04143	0.9
122.03607	28.1
124.98999	0.6
125.02313	35.4
125.06011	0.9
126.02696	0.6
127.03871	4.2
131.03421	1.7
133.05025	0.5
137.02350	0.7
137.05959	35.1
137.09541	3.9
138.06219	0.4
143.03381	5.4
143.04280	0.5
145.04958	5.4
145.09752	1.2
147.04417	0.5
149.04480	1.8
153.01842	0.6
155.03473	0.5
161.02371	0.6
161.04503	1.5
163.06018	37.3
165.05522	0.6
169.12253	0.5
173.04439	3.1
177.01831	0.6
179.05553	1.0
187.06236	0.6
187.07739	0.9
191.05644	1.4
203.14293	0.9
205.07141	2.9
219.13896	0.5
229.07182	0.9
239.16588	0.5
247.08200	9.7
283.15512	15.1
289.09464	1.7
307.10361	40.8
308.10828	0.6
309.04193	0.8
325.16742	1.4
361.15158	0.7
371.76172	0.8
445.16177	0.9
445.21179	1.7
487.24753	1.3
505.04962	2.1
505.25729	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	505.2237
Annotation	Macaranone A
Peak:m/z	Relative Intensity
54.18348	1.0
59.01230	1.6
61.98682	4.3
62.43597	1.0
72.99174	1.1
75.05563	1.0
78.95779	2.3
84.17182	1.0
90.93084	1.3
93.56328	1.0
108.95634	1.1
123.64042	1.1
148.57901	1.2
153.84311	1.2
154.61055	1.2
156.73914	1.2
165.09068	2.0
217.05231	1.9
226.06168	1.8
237.05563	1.7
238.06248	1.5
239.07053	7.9
241.04976	1.4
245.11905	2.6
249.05560	1.5
251.07230	1.5
259.09760	8.3
260.10501	2.6
264.04327	2.2
265.05127	7.1
266.05835	8.7
269.11893	10.7
278.05905	3.9
279.06665	3.6
280.57153	1.4
281.11902	2.3
282.12631	9.5
283.06183	2.3
283.13266	1.4
284.10492	4.7
295.13235	2.3
297.11395	2.2
298.12070	5.5
307.09738	4.6
308.10431	7.4
309.11362	36.9
310.11630	2.0
311.12918	4.1
321.11356	12.6
321.15140	1.6
322.12036	3.4
325.10843	5.0
325.18491	2.6
326.11697	2.5
327.12454	8.2
337.10791	5.6
339.12378	3.7
345.11447	1.6
373.14581	2.1
377.14011	1.5
387.16278	2.0
403.15411	2.4
405.13058	1.6
406.14209	1.7
416.16296	4.1
429.20508	2.5
431.22363	4.2
445.20685	1.6
457.20126	3.5
459.21786	26.3
460.22504	1.5
469.20306	4.7
475.21573	8.1
476.21939	2.5
477.23093	12.3
487.21191	15.1
505.22400	100.0
506.22314	6.0
515.13281	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2236
Annotation	Ainsliadimer A
Peak:m/z	Relative Intensity
59.01230	1.4
60.92536	0.9
61.98686	2.6
70.99494	0.9
71.01244	1.0
87.85564	1.0
110.68772	1.2
123.04388	7.2
135.04381	1.4
148.05170	1.1
148.19522	1.1
149.05911	1.6
159.04382	1.2
163.03931	2.0
166.11404	1.0
173.05939	1.3
180.15273	1.1
197.05968	1.4
217.04999	4.3
217.12280	2.8
231.10097	1.6
243.10132	1.2
243.73097	1.3
245.11789	6.7
259.09750	5.7
260.10568	2.3
261.08960	1.2
277.08652	2.8
282.09198	2.0
289.08640	1.3
291.10205	2.3
293.08130	2.4
305.08139	1.7
306.08945	1.2
307.09674	2.0
307.26660	1.3
308.26956	1.0
317.08240	1.7
319.09964	6.7
320.10532	3.8
325.18256	5.6
333.07690	1.2
345.07465	1.7
348.09970	3.5
363.08759	4.0
363.16061	9.0
377.17535	2.9
391.15552	100.0
392.16016	5.1
393.17010	2.3
403.15665	1.8
405.13330	2.1
406.14264	6.6
417.24307	2.0
443.22562	1.3
461.23337	17.0
478.20920	1.2
487.21240	3.3
505.22391	73.4
506.22757	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	505.2235
Annotation	Ornativolide
Peak:m/z	Relative Intensity
51.64542	0.8
59.01239	2.5
61.68025	0.9
71.57492	0.9
72.16029	0.9
73.54556	0.8
80.25289	1.0
83.04865	2.3
89.90588	1.0
91.72646	1.0
99.07993	1.2
108.02047	2.1
108.23704	0.9
109.02812	2.0
122.03621	4.1
123.04389	51.7
123.07840	1.4
135.04407	2.4
136.05185	2.1
137.05939	5.7
139.07478	1.2
149.05928	7.5
160.03055	1.1
161.06055	2.4
163.03900	2.6
164.02414	1.0
173.06041	1.5
175.03957	1.3
189.05522	1.5
202.06261	1.5
217.12219	2.6
225.35423	1.3
231.10165	1.9
241.12453	3.2
243.10411	1.4
244.11096	1.7
245.11803	11.0
251.07080	1.6
253.12291	2.2
255.10320	1.3
259.09619	5.6
265.08685	1.8
271.09946	1.5
273.11533	2.4
281.08337	2.3
281.11780	1.5
282.09067	2.2
282.12799	1.7
293.08151	2.1
294.12589	10.1
304.07349	1.8
305.08072	1.7
309.11099	1.5
311.16531	2.4
315.10199	1.3
317.08438	1.9
318.08984	1.9
319.09869	6.1
321.07727	2.6
321.11270	3.3
324.17596	1.4
325.18152	8.9
331.09778	2.5
332.10574	26.4
333.11188	2.2
335.09317	1.4
337.14505	1.7
337.18152	15.8
343.09805	1.6
347.13052	1.6
357.83713	1.2
360.13773	2.9
361.14261	2.1
362.15222	2.6
364.09579	9.0
367.15448	4.4
375.16046	100.0
376.16479	5.0
377.13406	1.9
377.17651	20.3
381.17178	1.3
385.14603	2.8
390.18497	5.8
399.16260	3.0
400.16650	1.6
403.15530	2.9
405.13480	2.0
406.14163	9.0
421.16687	2.6
443.22272	36.6
444.22870	1.4
445.20587	1.7
459.21707	2.2
461.23386	76.8
462.23807	3.8
477.23209	1.3
487.21350	4.6
505.22397	57.1
506.22629	3.1
515.37390	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2234
Annotation	Macaranone A
Peak:m/z	Relative Intensity
52.51118	1.2
53.10875	1.4
53.39601	1.3
59.01222	2.7
76.20667	1.4
80.66512	1.7
80.84308	1.5
95.87208	1.5
241.33022	2.0
244.11148	1.6
289.08334	2.1
331.09766	2.3
375.16068	2.1
377.17776	3.1
402.14789	3.5
429.27765	2.7
459.21732	4.6
487.21390	7.2
505.22363	100.0
506.22705	6.6
523.95941	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	505.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92375	0.3
55.92841	0.3
59.00049	1.8
59.01245	100.0
59.02268	1.1
59.91982	0.3
60.01578	0.6
61.98705	1.8
71.01242	17.8
72.99163	0.9
73.02820	0.8
75.00697	0.3
78.95811	0.4
81.53715	0.4
83.01264	0.8
85.02805	3.2
87.00750	1.2
89.00121	0.7
89.02299	33.6
95.01225	0.9
96.00744	0.5
96.95861	2.6
99.00735	0.4
99.04335	0.5
101.02309	12.3
113.02309	9.1
119.03371	14.8
128.03418	0.8
131.03387	2.3
138.01772	0.4
143.03372	4.0
146.75575	0.5
149.04471	1.8
151.03902	1.4
161.04460	5.8
175.02547	0.5
179.05534	24.7
208.65007	0.4
265.14490	1.5
283.15646	0.7
325.30719	0.6
427.19965	0.6
445.20853	9.9
475.94669	0.4
505.15530	0.8
505.23129	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72253	0.8
55.01752	1.3
59.01243	22.0
61.98681	1.0
65.24236	0.9
69.03320	1.5
71.01238	28.7
72.99158	3.1
73.02800	9.1
75.00726	1.3
78.95772	2.9
79.95566	1.7
80.91540	3.5
82.95269	7.2
83.01240	3.3
85.02813	8.5
86.16963	0.9
87.00716	1.2
87.82445	1.0
89.02299	26.2
93.03327	1.6
95.01250	1.1
96.93359	1.5
96.95867	100.0
96.96769	5.1
97.02817	4.4
99.00723	7.6
101.02309	15.1
103.33299	1.0
105.14085	1.0
108.02037	1.1
109.02830	3.5
113.02304	14.4
115.03868	3.9
119.04919	1.0
119.26031	1.0
125.02305	14.7
131.03368	2.2
135.04395	2.5
136.01567	1.0
137.02380	1.5
143.03410	1.8
149.02368	1.1
149.04462	3.1
149.06003	2.4
151.03969	1.0
151.11206	5.5
153.01828	1.6
159.02916	1.6
161.04427	9.9
163.03905	1.9
165.05484	1.6
173.04457	1.5
179.03447	2.6
191.05554	2.8
204.21893	0.9
233.06631	10.3
259.02444	1.5
274.01913	1.1
293.08789	21.4
294.05450	2.6
295.06094	4.6
309.07663	1.7
313.16544	2.0
340.86707	1.6
353.06732	1.9
367.14044	7.0
403.08301	1.8
433.12640	2.3
445.20798	87.1
446.21262	4.0
475.17459	1.5
477.11859	15.3
478.12350	1.5
505.13611	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2576
Annotation	Amoritin
Peak:m/z	Relative Intensity
50.36515	0.8
53.86810	0.4
59.01232	1.9
61.98689	3.2
68.69559	0.4
75.15942	0.4
78.95761	21.9
81.05577	0.5
87.00726	3.1
91.48590	1.1
96.95873	0.5
96.96838	1.5
115.50555	0.5
117.03331	0.6
119.04901	6.3
145.02835	1.6
152.99475	41.8
154.31052	0.5
163.03886	5.0
171.00563	2.2
176.27145	0.5
184.00105	0.8
215.05704	0.5
220.14153	0.5
227.03258	5.5
233.22729	0.6
244.64056	0.6
245.04257	1.0
248.07927	1.5
252.26274	0.5
275.20062	0.8
277.21738	100.0
278.22147	1.1
315.55563	0.6
326.79666	0.6
363.79666	0.6
413.21103	1.6
417.26495	0.7
431.23550	0.6
461.28513	0.6
505.25760	75.8
506.26175	1.6
521.79584	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2656
Annotation	Platanionoside H
Peak:m/z	Relative Intensity
56.66573	1.6
57.12197	1.9
58.71830	1.6
59.01242	39.2
61.98698	2.8
71.01252	10.1
71.64402	1.8
72.89844	2.4
72.99193	3.4
73.02820	5.6
76.77331	1.8
82.95274	5.4
83.01254	2.5
83.04872	2.1
84.94543	1.7
85.02821	5.0
87.00724	1.7
87.87683	1.9
89.02328	3.4
91.71397	1.6
92.52887	1.8
96.41600	1.7
101.02331	10.2
113.02306	4.5
146.17715	2.4
161.04375	2.4
165.93596	2.3
283.19138	2.2
284.03348	3.0
445.19888	2.9
445.25232	3.3
461.24231	2.7
463.25388	14.6
505.26587	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68672	0.2
59.00974	0.2
59.01244	2.8
61.49035	0.6
61.98685	0.2
69.78799	0.2
70.72306	0.3
71.01253	0.3
76.57531	0.2
78.95731	0.3
79.33223	0.2
82.36951	0.2
89.02292	0.8
91.03845	1.2
93.03314	0.5
117.03326	22.4
117.18996	0.2
118.04137	2.4
119.01488	0.5
119.04893	36.5
120.05242	0.5
121.02815	3.6
123.04373	1.0
123.51933	0.2
133.02823	1.0
144.98386	1.2
145.02834	100.0
146.03183	2.3
162.03119	0.9
163.03905	24.3
164.04233	0.4
267.19714	1.9
271.22864	1.9
285.20721	8.1
286.21191	0.2
295.22772	0.5
313.23715	0.3
345.24295	0.5
413.23364	14.3
414.23682	0.9
423.27472	0.6
431.24408	15.4
432.24457	1.1
445.25037	0.3
505.28101	67.0
506.28403	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	505.281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.6
59.60638	0.3
61.49018	1.0
61.49360	0.6
64.45065	0.3
70.72328	0.3
78.42048	0.3
89.02309	0.7
91.03851	0.9
93.03321	0.3
96.95831	0.6
117.03329	21.0
118.04118	2.9
119.04892	37.3
120.05259	0.6
121.02820	3.1
123.04380	1.0
126.20937	0.3
133.02760	0.7
134.03639	0.3
145.02834	100.0
145.07758	1.0
146.03200	1.7
147.48132	0.3
162.03191	0.3
163.03906	25.4
164.04254	0.5
267.19678	2.1
271.22800	2.2
285.20715	9.1
285.23886	0.5
295.22736	0.4
313.23749	0.5
345.24313	0.8
413.23349	14.9
431.24402	16.4
432.24490	0.7
505.28104	77.6
506.28424	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2809
Annotation	Mucronine A
Peak:m/z	Relative Intensity
59.01231	1.9
59.01467	0.2
60.46553	0.2
61.44717	0.3
61.49026	1.0
61.98672	0.3
66.16434	0.2
66.65662	0.2
67.64238	0.4
69.50459	0.2
70.72341	0.3
81.53055	0.3
89.02283	0.7
91.03867	0.6
93.03320	0.3
97.50681	0.3
105.13258	0.3
113.08257	0.3
116.99777	0.3
117.03321	22.7
118.04105	2.8
119.04892	34.7
119.08234	0.5
120.05209	0.5
121.02823	3.8
123.04384	0.8
133.02832	1.0
144.97816	0.9
145.02834	100.0
145.07176	1.1
146.03169	1.3
162.03116	1.2
163.03906	23.6
181.18689	0.3
188.54230	0.3
216.11293	0.3
219.72650	0.3
267.19708	2.1
268.69870	0.3
285.18304	0.2
285.20715	9.1
413.23373	16.0
414.23749	0.5
431.24408	17.6
432.24768	0.9
505.28094	75.5
506.28516	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	505.281
Annotation	Mucronine A
Peak:m/z	Relative Intensity
53.33793	0.4
53.95574	0.4
58.98852	0.4
59.01237	1.2
61.49023	1.5
61.49323	0.9
67.64217	0.6
69.98891	0.4
71.66802	0.4
83.01337	0.4
87.60679	0.5
91.03848	0.6
93.03304	0.5
96.95876	0.4
106.74786	0.4
117.03329	20.5
118.04153	2.4
119.01212	0.5
119.04893	39.5
119.60086	0.5
121.02768	3.1
122.04906	0.4
123.04436	0.7
133.02853	0.9
137.03490	0.5
144.97833	0.8
145.02837	100.0
145.07321	1.1
146.03157	1.0
162.03059	0.7
163.03908	28.8
164.04277	0.7
183.20346	0.5
208.27359	0.5
237.07434	0.6
267.19693	1.7
285.20731	8.9
345.63843	0.5
373.65451	0.4
411.51474	0.5
413.23358	13.3
431.24414	19.1
432.24985	0.5
505.28104	80.5
506.28149	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	505.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00961	1.2
59.01240	8.9
61.98695	1.8
71.01232	3.0
75.64766	0.7
76.34673	0.8
78.95754	2.3
88.88281	0.8
89.02291	2.8
96.95863	2.5
99.08055	1.6
101.02295	3.5
108.74205	0.9
113.02309	1.9
113.09596	1.1
119.04865	1.4
143.07034	3.8
145.02809	2.8
149.00130	1.0
152.99489	2.9
161.04520	2.3
179.05396	1.0
253.09296	24.3
267.19769	1.3
269.21225	100.0
270.21753	1.2
431.23694	1.1
447.13779	4.1
505.28284	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67980	0.4
59.01241	4.9
63.28802	0.5
67.01752	0.8
70.00911	0.4
71.01245	4.5
73.02806	1.0
81.03320	0.6
83.54054	0.5
85.02802	1.4
85.92297	0.5
87.00753	0.7
89.02295	4.9
93.03308	1.0
95.01226	1.7
96.95880	4.7
97.02812	1.0
99.00729	1.0
99.04366	0.5
101.02308	2.0
108.02020	0.8
109.02810	9.4
110.06631	0.6
111.00767	0.7
111.04393	1.0
112.09802	0.5
113.02312	0.9
115.03829	0.6
119.03377	1.0
121.02805	1.2
125.02332	2.7
130.04147	0.6
137.02333	1.2
138.03111	1.1
149.02312	2.0
151.00281	0.6
153.01857	1.1
159.04364	0.6
165.05513	0.8
165.06981	1.2
167.03462	0.8
179.03508	0.6
193.06509	4.0
197.06056	0.8
208.05240	0.8
209.06061	3.8
211.07616	1.0
213.05574	0.8
221.06049	1.9
223.07649	1.1
225.05547	1.8
226.06296	0.7
233.06583	1.5
236.04713	1.3
237.05573	5.8
238.06334	5.3
239.07019	1.1
241.00267	1.0
241.05116	2.9
242.05771	0.8
248.04750	2.7
249.05579	14.6
250.05946	1.2
251.03477	0.8
253.05083	3.3
254.05679	0.6
257.08066	0.7
264.04294	2.5
265.05020	3.7
266.05807	2.0
267.06705	1.7
268.04025	0.6
268.06937	0.6
269.04559	2.4
281.04633	4.7
282.05228	4.5
283.06268	2.0
293.04837	3.5
293.08566	3.7
301.06940	5.1
309.04126	2.3
310.04880	0.9
311.05579	5.7
313.08664	1.2
319.05667	0.7
328.84741	0.6
329.08255	1.2
329.61618	0.6
338.05966	3.9
339.06644	18.9
357.07739	8.9
375.08722	2.1
383.05594	2.0
391.08255	3.1
401.06714	18.6
419.07770	100.0
420.08163	4.1
445.05511	1.7
447.15103	1.2
463.06775	22.7
463.12119	0.9
464.07010	0.7
507.05710	17.1
507.16815	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	507.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03295	0.5
59.01242	4.7
59.52848	0.2
60.41396	0.3
66.95775	1.2
71.01244	1.1
72.99159	0.4
73.02797	0.6
80.64143	0.2
82.95267	100.0
82.97215	1.6
83.01228	0.4
83.02358	2.3
85.02793	1.2
87.00733	0.6
89.02312	0.4
96.20941	0.3
101.02293	0.9
102.95300	0.3
113.02303	0.4
128.78726	0.3
180.13629	0.4
185.37567	0.4
194.54027	0.4
212.19246	0.3
233.82356	0.3
243.13965	0.4
257.21262	0.3
287.13062	0.5
303.21768	0.8
315.19733	0.4
333.20624	1.5
349.12924	0.6
367.14050	1.4
423.12860	0.6
447.26447	0.7
463.24149	0.6
465.27039	3.1
506.26874	0.8
507.28076	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	507.1142
Annotation	syringetin-3-O-glucoside
Peak:m/z	Relative Intensity
51.76454	0.3
52.45115	0.3
59.01228	1.5
61.47613	0.3
67.69623	0.3
68.03833	0.3
73.78746	0.3
83.01212	0.4
90.83126	0.4
90.83631	0.3
100.87414	0.4
101.02303	0.8
103.44653	0.7
103.45362	0.7
107.01254	0.6
113.02336	0.4
125.02293	0.4
151.00266	2.3
153.01698	0.4
169.01181	0.5
174.03146	0.9
177.05516	0.4
178.99759	0.5
186.03130	0.5
201.01917	0.5
202.02669	2.9
213.01889	2.0
214.02690	1.0
215.03386	0.5
215.08185	0.5
219.02983	0.5
229.01408	0.5
230.02126	3.7
234.05276	0.5
241.01402	9.5
242.02184	23.6
243.02852	3.4
245.04449	0.4
255.02950	0.5
257.00940	2.0
258.01682	22.4
259.02219	1.0
269.00909	3.1
270.01715	8.7
271.02457	2.5
272.03284	4.9
273.04056	27.3
274.04486	0.7
286.01196	14.4
287.01895	1.9
287.05603	6.2
298.01157	0.6
299.01929	0.5
300.02759	1.9
301.03543	23.9
302.03726	0.5
314.00665	1.0
315.01440	4.3
315.05142	4.1
316.02264	0.8
316.05875	8.6
317.06540	0.6
322.11435	0.4
329.03070	13.3
329.06970	0.7
330.03763	3.5
344.05389	40.1
345.06094	9.7
387.07205	1.3
447.09259	1.5
447.21460	0.5
506.26642	0.4
507.11441	100.0
508.11658	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	507.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81461	1.1
57.03294	3.1
58.84666	0.9
59.01245	8.4
61.98647	1.1
62.35172	0.9
67.92753	1.0
71.01217	4.0
73.02788	1.4
74.98917	0.9
85.02805	1.0
89.02262	3.2
91.05370	1.1
93.03293	1.3
96.95863	20.5
99.04341	3.6
100.93278	1.2
101.02275	4.6
109.02808	7.7
111.28401	1.0
112.36170	1.2
113.02243	1.8
113.81467	1.2
121.02817	6.5
122.03583	1.9
123.04398	1.3
125.02260	3.2
135.04425	5.7
136.98981	1.1
137.02188	1.7
139.65953	1.0
146.03630	1.2
147.04405	13.3
149.02341	10.0
149.05928	1.6
153.23944	1.2
159.04340	4.4
161.02364	1.3
161.04431	3.4
162.95270	1.2
165.05463	9.4
167.03337	1.3
173.04370	2.2
174.03056	1.5
177.01845	1.3
179.03439	1.8
191.03328	2.9
202.02530	3.1
209.08012	2.6
230.02184	6.1
231.94849	1.2
237.05536	1.5
242.02023	2.3
251.06987	1.8
258.01672	11.0
265.05008	1.7
267.06558	2.9
269.08176	7.0
270.01624	1.9
271.02396	1.3
281.04535	1.5
283.06058	1.6
286.01221	30.1
287.01639	1.5
298.01337	1.3
301.00406	1.7
301.03546	17.6
313.07330	1.4
314.00778	5.9
315.01334	1.6
329.03040	100.0
330.03668	5.7
344.05371	10.7
345.06247	2.5
345.13367	8.2
363.07486	2.6
393.12115	2.9
401.10147	2.4
418.95407	1.2
419.11627	1.3
445.08835	2.7
445.20450	1.5
446.20898	3.5
447.20996	1.6
463.10324	7.3
477.15201	1.9
507.11163	92.9
508.11566	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	507.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12862	0.5
57.03316	10.6
58.49674	0.5
59.01242	7.3
61.98689	0.9
70.60677	0.5
71.01221	1.8
73.02797	0.8
75.00715	0.8
76.42228	0.5
79.95597	0.9
85.02778	1.2
93.03325	0.8
96.95867	17.6
99.04371	11.5
100.93238	1.3
100.93871	1.3
101.02315	4.9
109.02807	3.1
110.87309	0.6
111.00680	0.7
113.02298	1.6
121.02810	1.7
122.03566	0.7
123.04385	0.9
125.02290	2.0
125.03168	0.6
134.03535	0.7
135.04381	2.0
146.03577	0.9
147.04398	5.0
149.02292	2.4
149.05995	1.0
151.00345	0.6
159.04404	1.0
161.04417	6.3
162.95332	0.6
165.05447	2.1
174.03090	1.7
177.01814	1.4
179.03349	1.4
191.03365	1.5
202.02670	1.3
203.03549	0.8
209.08102	1.4
214.02640	0.9
230.02142	4.8
230.09686	0.6
242.02008	1.2
244.67516	0.7
258.01691	6.9
265.05008	1.4
269.08099	1.5
270.01639	1.8
283.06158	1.1
286.01199	20.1
287.01859	1.1
298.01181	1.0
301.03574	12.6
314.00729	4.0
315.01364	2.4
329.03043	70.8
330.03699	2.9
344.05353	7.9
345.06488	2.9
345.13361	4.5
347.73721	0.6
363.07596	6.0
372.04889	0.7
383.96103	0.6
393.12302	1.0
406.13458	0.7
445.09235	1.6
463.10327	2.3
492.09097	1.1
507.11469	100.0
508.11661	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	507.116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	6.9
59.01243	9.1
61.98675	1.7
71.01249	7.7
73.02772	1.4
83.01256	1.5
85.02776	1.3
89.02253	4.3
91.50433	1.0
91.73299	1.2
92.43456	1.0
93.03287	2.8
96.95876	34.1
99.04368	8.5
101.02316	6.3
101.69971	1.1
109.02828	10.4
113.02262	2.9
119.03338	1.7
119.04859	1.5
121.02819	6.3
122.03548	1.9
123.00693	1.6
125.02258	3.2
129.03215	1.5
135.04411	6.4
146.03476	5.1
147.04396	17.9
149.02322	11.3
153.01698	2.0
157.94273	1.4
159.04326	4.5
161.04327	4.6
165.05450	10.1
167.03351	1.8
174.03040	2.5
177.01759	2.4
179.03308	3.2
189.01875	1.4
190.02505	1.4
191.03275	4.8
202.02649	1.6
209.07967	2.5
230.02214	7.0
237.05443	2.0
240.43690	1.4
242.02095	2.2
251.06978	2.2
253.05232	1.3
258.01740	10.1
265.04941	2.8
267.06525	2.8
269.08124	7.6
279.14844	1.2
283.05963	1.9
285.07336	1.4
286.01227	23.3
297.07529	1.4
301.00476	1.3
301.03546	15.2
310.04626	1.5
313.07010	3.7
314.00467	5.5
315.01248	2.0
329.03055	89.9
330.03625	7.4
344.05457	11.1
345.06165	2.4
345.13440	6.2
363.07367	4.1
393.11948	4.9
401.10373	2.7
435.25766	1.4
445.09149	4.5
446.21005	2.7
447.21533	1.8
463.10522	8.7
477.15305	3.3
507.11084	100.0
507.27585	4.0
508.11520	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	507.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77431	0.4
55.01737	0.8
57.03317	0.7
57.42310	0.4
58.00434	0.7
59.01243	20.9
71.00874	0.9
71.01239	14.4
71.13482	0.4
73.02811	2.8
82.15929	0.4
82.95267	6.7
83.01238	2.6
85.02808	4.1
87.00727	1.0
89.02295	22.0
90.24332	0.5
93.03323	0.8
95.01259	1.2
95.32597	0.5
96.95877	8.1
98.95430	2.7
99.00735	2.9
101.02299	12.6
108.02012	1.4
109.02821	6.4
113.02303	6.9
115.03896	0.6
117.47917	0.5
118.94587	0.5
119.03373	6.4
121.02802	1.5
123.04356	1.0
125.02310	1.4
131.03363	2.2
133.02869	0.6
134.02724	0.4
134.03603	10.6
135.04395	13.5
137.02341	1.3
143.03371	1.1
147.04424	1.2
149.02383	1.3
149.04472	5.9
149.05763	3.0
151.07417	0.6
159.04404	3.7
161.04443	3.6
165.05478	3.7
167.03441	0.5
178.02600	8.0
179.03415	9.7
179.05534	3.5
191.05554	1.1
193.04979	7.4
213.02017	0.9
213.05431	1.1
214.06288	1.2
224.04700	1.0
225.05588	0.9
226.06328	0.7
227.03484	7.3
239.03528	1.6
239.07114	0.7
240.04181	1.8
241.01396	1.3
241.05078	2.8
242.05878	3.9
251.03337	0.7
252.04143	1.1
253.05109	3.4
254.05795	1.2
255.02933	2.6
256.03690	1.3
266.05771	0.9
266.09753	0.8
267.03000	2.3
267.06558	0.9
268.03708	4.8
269.04556	10.6
269.08105	2.7
270.05331	14.3
279.03098	1.0
280.03836	2.6
280.07187	0.5
281.04572	5.6
281.08020	1.3
282.05334	14.5
282.08563	0.8
283.06100	9.5
283.09708	3.5
293.08340	1.7
294.08923	0.8
295.09866	0.9
296.06879	3.8
297.04074	2.4
297.07666	26.1
297.11090	1.0
298.04840	16.2
298.07919	0.6
299.05484	2.1
302.04300	1.6
308.10574	1.3
309.11386	2.8
311.05630	0.9
311.09253	6.4
312.06363	2.1
312.10022	3.0
313.07181	23.7
313.10809	1.2
315.18134	10.9
323.09326	0.8
323.12946	1.2
325.10709	1.3
326.11600	9.1
327.08676	2.2
327.12381	4.0
338.11377	0.8
339.12372	1.1
341.13980	2.5
385.12912	10.2
397.13147	0.9
433.08472	0.6
447.22406	41.7
448.11594	0.6
463.18100	4.3
477.19370	6.1
506.13773	1.5
507.12961	100.0
508.13461	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42748	0.5
53.99746	0.5
59.01125	2.1
59.01440	1.3
67.23201	0.6
69.69875	0.6
71.01144	1.4
78.29996	0.6
82.95129	4.7
83.01160	0.7
85.02728	1.0
89.76121	0.6
91.73308	0.6
92.49777	0.7
96.95715	2.5
98.95353	1.4
98.96029	0.6
99.00652	1.7
101.02155	2.1
107.24732	0.6
108.01929	0.8
109.02650	1.9
109.80645	0.8
113.02209	0.8
119.98081	0.6
121.09985	0.8
123.04270	0.6
125.22151	0.6
135.04395	5.3
151.00110	0.8
153.01727	1.2
161.04308	1.4
162.02931	1.1
165.05273	2.5
177.05316	1.1
179.03392	4.7
213.01695	1.0
227.03493	4.3
228.03943	1.3
229.01254	1.9
241.01309	1.4
242.02071	1.2
245.00749	1.0
255.02843	2.0
256.03708	8.1
270.05145	2.4
271.06027	1.1
273.00320	1.4
288.02692	1.5
295.06201	0.8
302.04321	1.4
311.05490	1.1
315.06238	1.0
315.17984	3.1
327.02802	1.1
328.03488	1.6
331.05786	1.5
332.06723	0.9
333.07501	1.1
343.05933	1.4
345.07620	1.5
359.05399	2.9
360.06348	3.6
374.07959	0.8
375.08765	4.8
377.10153	1.6
387.08716	1.8
388.05740	2.1
389.10373	1.3
399.08521	1.8
401.06113	3.6
402.07339	4.4
403.08163	13.6
404.08780	2.8
405.09619	2.3
415.08423	3.7
417.09805	25.5
418.09979	1.3
419.11285	2.8
431.11423	1.6
432.08005	1.6
433.09216	4.5
447.10898	7.9
447.22195	10.0
448.11636	10.5
463.14011	100.0
464.14444	3.5
506.11435	0.9
507.12900	27.2
507.20428	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42748	0.5
53.99746	0.5
59.01125	2.1
59.01440	1.3
67.23201	0.6
69.69875	0.6
71.01144	1.4
78.29996	0.6
82.95129	4.7
83.01160	0.7
85.02728	1.0
89.76121	0.6
91.73308	0.6
92.49777	0.7
96.95715	2.5
98.95353	1.4
98.96029	0.6
99.00652	1.7
101.02155	2.1
107.24732	0.6
108.01929	0.8
109.02650	1.9
109.80645	0.8
113.02209	0.8
119.98081	0.6
121.09985	0.8
123.04270	0.6
125.22151	0.6
135.04395	5.3
151.00110	0.8
153.01727	1.2
161.04308	1.4
162.02931	1.1
165.05273	2.5
177.05316	1.1
179.03392	4.7
213.01695	1.0
227.03493	4.3
228.03943	1.3
229.01254	1.9
241.01309	1.4
242.02071	1.2
245.00749	1.0
255.02843	2.0
256.03708	8.1
270.05145	2.4
271.06027	1.1
273.00320	1.4
288.02692	1.5
295.06201	0.8
302.04321	1.4
311.05490	1.1
315.06238	1.0
315.17984	3.1
327.02802	1.1
328.03488	1.6
331.05786	1.5
332.06723	0.9
333.07501	1.1
343.05933	1.4
345.07620	1.5
359.05399	2.9
360.06348	3.6
374.07959	0.8
375.08765	4.8
377.10153	1.6
387.08716	1.8
388.05740	2.1
389.10373	1.3
399.08521	1.8
401.06113	3.6
402.07339	4.4
403.08163	13.6
404.08780	2.8
405.09619	2.3
415.08423	3.7
417.09805	25.5
418.09979	1.3
419.11285	2.8
431.11423	1.6
432.08005	1.6
433.09216	4.5
447.10898	7.9
447.22195	10.0
448.11636	10.5
463.14011	100.0
464.14444	3.5
506.11435	0.9
507.12900	27.2
507.20428	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07633	0.9
61.40982	0.9
65.28188	0.9
71.01242	1.3
71.07861	0.9
73.02807	1.4
74.93687	1.0
83.04909	1.2
85.59194	1.1
93.03313	5.4
96.95911	1.9
101.88359	1.0
106.04140	2.1
107.04887	19.9
108.02030	17.1
109.02847	1.4
111.04385	4.0
121.02778	1.4
123.04382	18.0
125.02382	1.3
129.01822	1.4
134.03630	8.8
135.00023	1.0
135.04393	86.8
135.08290	1.4
135.11031	1.0
136.04750	1.1
137.02382	1.5
151.90283	1.0
152.01039	45.1
155.03403	5.5
165.05467	33.7
167.03398	100.0
168.03726	1.6
173.04454	19.0
177.01712	1.3
209.06021	1.4
230.03127	1.2
233.06828	1.1
267.10089	1.2
275.92563	1.2
285.07773	6.1
333.09793	27.1
400.95319	1.3
463.07275	1.4
477.41730	1.3
507.15341	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	507.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56490	0.2
54.50278	0.2
56.82365	0.2
57.03308	0.9
57.86204	0.2
59.01242	2.0
60.71972	0.2
60.99158	0.6
62.03539	0.2
62.44051	0.2
62.87929	0.2
64.64045	0.3
67.01747	3.5
69.03302	0.6
71.01239	2.9
72.99162	0.4
73.02783	0.4
74.02059	0.2
81.03306	1.0
83.04858	0.8
85.02811	0.6
85.95163	0.2
87.00718	0.5
91.01740	0.3
93.03313	25.2
93.05699	0.5
94.03637	0.3
96.95863	0.9
97.02846	0.3
99.00729	0.4
99.04384	0.3
106.04124	0.4
107.04886	3.0
108.02026	2.6
109.02837	1.2
111.00731	0.8
111.04382	4.2
113.02294	0.3
121.02819	0.3
123.04387	2.4
125.02307	0.3
127.03889	0.4
132.28113	0.2
132.35324	0.2
134.03621	1.2
135.04395	11.3
136.04776	0.2
137.02325	4.3
146.03613	0.7
150.03107	0.4
152.01044	5.4
153.05472	0.4
155.03389	4.5
164.04755	0.3
165.05464	4.2
167.03400	11.6
171.11023	0.3
173.04459	100.0
173.10596	1.1
174.04796	1.8
179.07039	1.4
191.07051	0.5
199.34808	0.2
204.99898	0.6
218.69385	0.2
225.05351	0.3
241.05023	0.6
285.07632	1.3
315.08789	0.4
315.12274	0.4
333.09796	3.0
345.09769	0.4
345.13440	1.7
396.46112	0.2
463.06702	0.4
507.14902	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	507.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28739	0.3
57.03288	0.5
57.88198	0.2
59.01244	2.1
61.98687	0.4
67.61539	0.3
70.37930	0.4
71.01227	0.9
72.99151	0.5
73.02813	0.5
77.29134	0.3
80.24933	0.7
85.02780	0.6
89.02260	0.6
101.02301	0.7
109.02802	0.8
121.02836	2.6
123.04316	0.4
125.02280	0.5
134.03598	1.2
135.04369	0.5
137.02321	0.4
143.04774	0.4
145.02824	0.5
146.03580	0.3
153.01811	1.0
161.04510	0.4
167.03360	0.7
167.04851	0.5
169.06522	0.7
173.04448	0.6
179.03458	0.5
180.05704	0.7
181.06508	1.3
181.12260	0.4
183.04482	1.0
184.05177	0.5
185.05991	1.2
187.03938	0.7
195.04431	1.5
196.05234	1.4
197.05972	3.6
199.03888	0.5
208.05203	1.4
209.05980	2.8
211.03944	1.2
211.07616	1.0
212.04729	2.2
212.90929	0.4
213.05524	6.4
215.06894	0.4
223.03952	2.6
224.04745	3.2
225.05528	11.9
227.07077	1.4
235.04115	0.5
236.04770	1.1
237.05539	4.2
237.07756	0.5
238.06398	1.6
239.03407	1.2
239.07176	1.3
239.41231	0.3
240.04266	6.3
241.05038	27.7
242.05614	0.6
251.03346	0.5
251.07167	1.0
252.07869	1.0
253.05063	14.7
255.06602	4.1
256.07407	13.4
257.04630	0.4
257.07843	0.7
259.06070	1.1
267.02930	0.8
267.06619	0.6
268.03830	1.5
268.07413	5.2
269.04599	7.1
269.07526	0.4
271.06152	1.2
271.09790	3.6
273.07748	0.9
280.03671	1.0
281.04596	3.8
282.05365	1.9
283.06091	1.9
283.09711	1.1
284.06873	3.2
285.04135	2.2
285.17056	1.2
287.05600	1.2
295.06003	1.2
296.06906	10.5
297.04071	28.5
297.07538	1.5
298.04260	0.4
299.05667	2.9
300.06393	11.7
301.07010	0.5
311.05670	4.0
312.06409	24.3
313.06949	1.1
314.07971	2.8
315.08762	74.0
316.09058	2.6
327.08752	100.0
328.09042	3.3
345.09772	4.1
358.21548	0.4
363.16382	0.6
477.14249	1.4
489.17984	0.6
507.14850	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46341	1.3
51.19963	0.8
54.22512	0.7
57.49511	0.9
57.80477	0.7
58.02835	9.0
59.01239	9.8
61.98707	0.8
64.19637	0.8
66.03358	1.6
68.04927	1.5
71.01242	6.0
72.00780	1.0
73.02802	1.8
74.02330	20.6
76.06918	0.7
82.02868	2.9
83.01290	0.9
84.94996	0.8
85.02818	1.3
86.02322	7.9
86.05988	2.1
86.98986	1.4
87.00740	1.1
87.02579	1.1
87.05518	3.6
88.03911	1.2
88.34577	0.8
89.02288	6.2
89.96442	1.2
90.00077	1.8
96.95872	5.2
97.03973	2.5
99.00793	1.7
99.05496	20.2
99.06099	1.2
100.03931	1.0
101.02332	3.0
101.07093	3.1
102.05502	2.1
109.03983	2.6
109.07555	1.1
111.05549	1.2
112.03929	2.1
113.02352	2.0
113.03461	1.6
113.07085	1.0
113.71490	0.9
115.00215	2.2
116.01683	1.4
119.03358	1.7
120.01171	1.5
123.04431	1.2
123.05538	2.3
125.02364	4.3
125.03433	1.9
127.05028	4.0
128.03404	57.5
131.04514	1.3
135.05501	6.6
137.02361	2.8
137.07147	2.1
139.03990	1.0
141.06578	5.2
142.99934	1.2
143.04503	83.2
145.06117	4.7
146.04510	8.0
153.06604	5.3
155.08202	1.2
160.00624	18.4
166.09718	4.2
167.03329	1.1
167.04587	4.3
167.08194	4.2
170.03146	1.2
171.04111	1.1
171.07675	1.2
173.04498	2.1
175.02443	3.2
175.03831	1.0
177.01945	1.6
177.03372	6.6
179.04509	16.7
181.06197	2.1
184.10936	1.6
185.05661	2.6
189.04047	1.6
191.05647	1.6
192.07785	1.6
197.05711	3.5
203.94209	0.9
210.08772	17.4
210.10588	1.3
225.04080	1.7
242.08043	0.9
252.08115	1.9
254.07803	23.9
272.08896	34.1
285.07635	1.0
288.06580	10.4
293.08817	4.4
305.06711	1.4
306.07660	100.0
307.08051	3.3
315.12341	1.1
333.09879	0.9
344.47141	0.9
377.32822	1.2
387.09427	1.2
411.17160	2.2
429.18143	54.6
430.18759	1.7
447.22476	1.5
463.16989	11.8
473.17142	1.0
507.16486	7.9
534.04675	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40324	0.5
50.64040	0.4
52.71418	0.3
54.56767	0.3
57.03316	0.5
59.00974	0.5
59.01245	7.8
61.98681	1.6
66.90237	0.3
71.01245	2.2
73.02801	1.0
75.00722	0.5
83.01232	0.6
85.02803	1.1
87.00739	0.4
89.02296	2.3
95.03628	0.7
96.08041	0.5
101.02315	2.2
102.84377	0.4
104.04930	0.5
106.06480	1.9
107.04955	0.6
113.02317	1.5
119.03364	1.0
121.02841	0.5
122.05997	1.7
124.07551	5.4
128.03395	0.6
132.04430	20.5
133.05212	19.7
134.06007	3.9
148.03952	1.0
149.04543	0.5
150.05489	1.1
161.04491	1.3
165.04224	9.0
173.04459	0.6
176.03479	1.2
176.07047	0.9
177.04219	4.5
178.05046	1.5
184.07591	0.4
186.09126	2.2
187.08665	0.6
198.09280	0.5
209.03218	2.9
213.06679	1.1
214.12335	3.2
215.11841	4.7
218.00403	0.4
226.07397	1.1
227.08098	0.5
229.09723	2.6
240.10583	2.1
241.09741	2.4
255.11502	1.2
257.12952	18.3
283.10907	8.5
301.11942	9.2
302.12469	0.5
327.09952	0.9
345.10944	100.0
346.11090	2.3
387.11972	0.8
447.22665	2.0
464.40656	0.4
507.16052	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	507.172
Annotation	Ulmoside
Peak:m/z	Relative Intensity
54.61858	0.5
55.01738	1.0
56.65904	0.5
57.03303	1.2
57.27104	0.6
58.56286	0.5
59.01244	41.2
59.02444	0.9
59.40199	0.5
60.96459	0.5
61.98695	5.0
69.17767	0.5
71.01240	23.8
72.99168	1.6
73.02804	13.6
75.00716	1.3
78.95763	1.0
79.05356	0.7
81.03297	2.5
83.01247	5.3
85.02802	6.3
87.00731	5.4
89.01762	1.3
89.02297	23.8
93.03284	0.8
95.01237	1.9
96.95856	2.8
97.02806	2.3
98.95436	0.9
99.00719	1.9
101.02302	40.2
103.87445	0.7
107.04869	0.7
111.00721	0.6
113.02309	13.7
115.00206	1.5
119.03362	12.4
121.02736	0.6
121.06456	12.3
123.04402	0.7
125.02299	4.6
127.07475	2.4
128.03384	1.5
129.03592	0.7
131.03380	4.2
135.92957	1.5
137.02353	2.3
142.09885	0.7
143.03380	1.4
149.04460	1.5
150.03185	0.9
159.02873	1.3
161.04465	16.2
165.05450	10.7
175.02397	2.0
177.01785	2.3
179.05530	8.2
221.06650	7.3
258.99075	0.8
259.15445	2.0
263.07623	2.3
277.59811	0.8
297.11267	1.4
329.50937	0.8
345.12164	2.2
403.19666	3.0
417.21423	0.9
421.20554	1.2
447.22253	2.5
463.21979	0.8
471.19846	1.7
507.17169	100.0
508.17459	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.5
57.03320	0.9
58.00459	0.7
59.01243	28.2
59.02457	0.5
59.32158	0.3
61.98697	0.7
65.88026	0.5
67.01765	0.4
69.03314	0.5
71.01240	15.2
72.31260	0.4
72.99168	0.9
73.02806	26.5
73.04514	0.4
73.49919	0.4
75.00746	0.8
75.13984	0.3
81.50488	0.4
83.01246	3.4
85.02810	6.2
85.03308	0.5
87.00735	2.5
89.02299	12.6
90.98460	0.5
93.03332	0.7
95.01244	0.9
96.95914	0.5
97.02811	1.6
99.00741	1.4
101.02303	24.4
102.02611	0.4
113.02301	6.6
119.03372	9.2
123.04379	0.4
124.01562	0.4
125.02343	1.1
128.03404	0.5
129.05457	0.8
131.03398	1.1
135.92474	0.6
143.03409	0.9
149.53888	0.3
161.04454	23.0
161.10086	0.3
165.09108	0.4
173.04465	1.0
179.05544	2.3
183.10223	1.1
189.07568	2.2
189.63907	0.6
196.66393	0.4
221.06721	2.1
228.51424	0.4
233.37279	0.4
263.07761	0.5
289.83005	0.4
301.16565	17.6
302.16858	0.5
329.49261	0.5
345.15610	6.2
447.22107	0.4
463.21738	1.3
465.23889	0.4
489.19559	0.5
507.20837	100.0
508.21106	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	507.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	3.2
71.35107	3.1
78.95755	7.1
79.13819	3.0
91.72775	3.4
101.05910	3.9
107.04893	86.8
107.05580	6.6
109.02863	4.2
121.06447	4.3
123.00490	3.0
123.04415	6.1
125.05949	5.6
127.07524	4.9
135.04359	7.3
139.07527	3.1
147.04489	6.9
149.05969	42.1
151.03941	7.3
152.99364	4.1
159.04364	8.2
161.05942	4.1
165.09085	5.1
167.50545	3.1
175.03932	4.6
179.03394	47.8
203.10855	6.0
215.10748	8.4
217.12288	16.0
224.89171	12.0
225.89932	10.9
231.10265	6.1
233.11815	46.0
240.92323	13.9
243.10275	9.0
244.11064	5.5
245.11806	36.6
249.11325	7.4
259.09824	19.1
260.10577	9.3
261.11346	24.5
279.23206	4.4
281.24979	15.6
282.25229	9.9
285.50543	3.6
317.93570	3.8
320.14178	3.4
325.18176	3.5
376.16797	5.4
377.17612	6.8
379.15448	7.9
405.17041	4.6
424.24957	3.6
445.23941	8.7
447.22632	7.3
461.23245	13.5
463.24994	18.3
479.24561	5.1
489.22800	26.2
507.07611	6.1
507.23999	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26508	0.9
57.03312	2.7
59.01248	1.0
78.95767	1.1
80.69041	1.0
81.03317	1.7
83.04873	3.0
89.27594	1.0
89.56705	1.0
91.73442	1.2
99.07993	3.5
101.05936	1.2
107.04871	1.9
108.02033	1.2
109.02805	1.8
111.04373	7.0
119.04816	1.2
119.42606	1.1
121.06400	1.8
122.03571	2.1
123.04366	6.9
123.08038	1.8
123.72516	1.0
135.04420	1.6
136.05185	2.3
145.02933	1.3
147.04399	2.4
148.05151	1.7
149.05972	10.2
150.03128	1.2
159.04393	6.4
160.05202	3.0
161.05969	4.6
163.03958	1.2
165.09161	1.2
172.05142	2.1
173.02428	1.4
173.05937	2.7
174.06769	3.0
175.03984	2.8
176.04712	2.1
177.12691	1.6
187.03951	1.7
187.11195	3.8
188.04697	6.3
188.08363	1.9
189.05478	4.4
200.04633	1.2
201.05498	2.8
202.06259	4.5
202.09937	3.9
203.10706	10.6
205.01375	1.2
205.12257	9.1
213.05513	1.3
213.55489	1.2
215.10757	10.0
217.05016	3.5
217.12254	15.4
227.10661	2.2
230.09459	4.2
231.10242	44.5
231.13788	2.5
231.86208	1.1
232.03917	1.3
233.11803	51.4
243.10228	18.2
244.10976	1.9
245.02040	1.4
245.11810	100.0
246.12115	1.9
257.11859	8.7
259.09756	5.6
260.10632	6.6
261.11374	5.1
263.12802	3.1
273.11310	5.0
275.12869	2.4
289.08997	1.3
319.13495	1.4
346.08542	1.3
359.12836	2.0
360.13742	2.4
361.14600	1.4
363.16019	2.1
365.17456	5.5
375.15912	1.2
377.14029	3.7
389.13953	14.6
390.14603	2.3
393.17355	1.9
405.17041	2.6
407.14914	1.5
407.38950	1.4
447.22153	2.7
459.21854	3.4
471.21991	2.1
477.22839	59.1
478.22745	1.8
479.24286	3.5
489.22873	46.3
507.23886	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2388
Annotation	Dihydroornativolide
Peak:m/z	Relative Intensity
50.26123	1.0
50.65073	0.6
50.65519	0.5
57.03294	1.0
59.01230	1.4
62.68085	0.7
73.02795	0.9
78.95748	3.7
85.02808	1.8
97.06403	0.8
99.08009	2.3
101.05938	3.6
105.09074	0.8
106.04103	0.8
107.04889	57.6
123.04430	1.1
123.08002	1.0
125.05923	1.6
125.09556	1.9
127.07506	0.9
131.04916	0.9
135.04387	5.4
144.05655	2.2
149.04808	1.6
149.05972	28.0
151.03900	1.8
152.99486	4.6
157.06535	2.1
158.07179	1.0
159.04434	1.5
159.08000	3.2
161.05977	2.5
171.04453	0.9
172.05153	1.9
173.05910	1.5
175.03889	1.5
177.05501	7.0
179.03394	9.7
185.05946	1.2
186.06763	1.1
188.04620	1.6
189.05356	1.4
191.10818	1.2
199.07520	2.1
203.10730	1.1
211.59210	0.9
215.10699	4.2
217.12309	4.5
228.11510	8.0
229.12337	0.9
231.10181	1.4
233.11766	14.1
241.12344	7.1
242.13034	2.4
243.10217	1.8
243.13869	16.0
245.11749	7.6
259.09811	1.3
261.11319	12.5
277.11990	1.0
279.23352	12.1
291.94223	1.1
292.55045	1.0
293.11777	2.0
295.13242	1.2
303.10544	1.0
321.11261	2.3
327.19690	5.8
335.16391	1.5
338.15421	3.6
361.17987	2.3
363.16000	1.8
366.27301	2.0
377.17371	1.5
379.19641	0.9
405.16949	2.6
419.26071	4.5
423.18085	1.1
435.25473	1.8
445.23868	2.3
447.22177	1.0
459.21933	1.4
463.24951	19.7
471.21634	2.2
489.22845	3.1
507.23776	100.0
508.23993	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	507.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34056	0.2
59.01234	0.3
62.43624	0.2
71.01215	0.2
81.03309	0.7
83.04868	0.4
84.02019	0.8
85.02818	0.5
96.95832	0.4
97.02795	0.3
99.04350	0.3
99.08015	0.4
101.05933	0.4
103.96101	0.2
107.04869	0.3
111.04382	0.6
121.02840	0.5
123.04368	0.7
135.04366	0.3
135.27359	0.3
146.03525	0.3
173.02460	0.3
177.09369	0.2
197.05959	0.4
203.10684	0.4
209.05954	0.3
210.06845	0.2
211.03993	0.2
212.04744	0.5
213.05484	0.3
217.12367	0.4
224.04829	0.4
225.05489	0.9
229.12256	0.5
231.10197	1.1
233.11826	0.3
238.06274	0.5
239.07013	0.8
243.10254	0.5
244.11086	0.6
245.11819	1.4
249.05530	0.3
250.06285	0.5
253.12288	0.4
254.06000	0.3
255.13867	0.3
257.11987	0.3
259.09766	2.1
261.11383	0.4
263.07227	0.3
265.12219	0.3
266.05649	0.4
267.10318	0.5
267.13889	0.3
268.10989	0.4
269.11868	0.6
279.10266	0.3
279.13733	0.3
280.07376	0.4
281.11752	1.2
282.12640	0.5
283.13446	0.8
283.81555	0.3
291.10095	0.3
293.11908	1.3
294.12750	0.3
295.13470	1.4
296.10529	0.8
296.13922	0.4
297.11566	0.6
305.11816	0.5
306.12622	0.9
307.13300	1.4
308.10706	0.4
308.14075	0.3
309.11301	1.6
309.14639	0.5
310.12094	1.0
311.12881	1.0
318.12469	0.3
319.09726	0.5
321.11420	1.0
321.14957	0.4
322.12018	0.4
323.12909	3.0
323.16537	0.4
324.13602	0.4
331.13348	0.3
333.11279	0.8
333.15018	0.6
334.12207	1.6
335.12836	0.3
337.10925	0.5
337.14639	0.5
337.18179	0.4
338.11423	0.4
339.19821	0.3
345.15146	0.3
347.12927	0.3
347.16586	0.3
349.18069	0.7
351.12311	1.0
352.13016	0.4
355.19336	0.3
357.15231	0.3
361.10559	0.4
361.14517	0.4
363.16046	0.5
365.17624	0.9
366.18616	0.3
367.19080	1.2
374.15353	0.3
375.15829	0.5
376.16727	0.6
377.17535	3.6
379.19202	0.5
387.16074	0.4
389.17865	0.6
390.18774	0.3
391.19012	1.3
393.17096	0.4
394.17822	0.4
395.18604	1.4
405.17017	1.9
417.16672	0.4
423.17880	0.7
433.23886	0.6
441.20685	0.3
443.22607	0.4
451.24716	0.5
459.21875	0.3
461.23441	0.6
463.25110	0.6
464.18347	0.7
471.21561	0.5
477.22943	0.3
479.24402	6.2
480.24786	0.4
487.74365	0.3
489.22742	1.8
507.23877	100.0
508.24197	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	507.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91272	0.6
67.30307	0.7
72.93108	0.6
79.14802	0.6
84.03817	1.1
122.03615	1.0
123.04382	2.4
136.05161	2.3
146.03633	0.8
147.04391	0.7
148.05052	1.0
149.05939	1.4
150.03165	1.0
159.04395	4.1
160.05222	1.3
161.05945	3.2
163.07439	0.8
173.05972	1.9
174.06750	4.0
187.03914	1.8
188.04686	2.5
188.08459	1.4
202.06281	5.9
202.09904	3.0
203.10774	4.9
208.83275	0.7
217.12302	15.7
230.09360	1.1
231.08110	1.4
231.10246	19.1
232.61055	0.7
243.10246	4.0
244.10956	1.0
245.11818	100.0
246.12265	1.4
257.11865	1.4
259.09726	1.4
261.11237	2.2
272.10556	1.1
281.11984	1.2
305.08075	1.2
311.12933	0.8
367.19113	3.3
389.14005	13.4
390.14755	1.7
394.17142	0.7
405.17218	2.2
447.22711	1.0
463.25644	1.1
489.22867	43.2
490.22800	1.5
507.23438	8.5
515.41333	0.9
523.74139	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	1.6
57.03295	0.8
59.00970	1.0
59.01244	13.4
61.98692	7.4
69.03296	0.6
71.01240	21.0
73.02804	12.9
73.53913	0.5
82.95261	1.2
83.01237	3.0
84.94968	1.8
85.02802	10.8
85.55907	0.6
85.99316	0.5
86.03152	0.6
87.00705	0.8
89.02296	5.3
93.14400	0.8
95.01258	1.2
97.02814	1.4
99.00730	4.3
101.02303	23.7
113.01559	0.8
113.02302	10.4
113.03088	0.7
115.03806	0.7
116.96166	0.6
119.03345	0.8
120.82829	0.6
125.02309	1.7
131.03406	1.5
143.03369	1.4
149.04453	0.8
159.02901	2.6
161.04449	13.9
165.05473	1.7
200.58022	0.8
215.03502	0.6
233.06577	1.1
290.94366	0.6
315.18167	22.2
370.08606	0.6
423.04977	0.7
426.38452	0.7
446.20859	1.7
447.22342	100.0
448.22864	2.9
457.02383	0.7
461.23999	4.5
507.12784	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75573	0.3
57.03315	0.6
57.85579	0.3
58.00457	0.6
58.79779	0.4
59.00038	0.7
59.01243	39.0
59.02566	0.7
70.99690	0.7
71.01240	29.0
72.99150	0.8
73.02805	10.7
82.95275	1.4
83.01247	1.8
85.02801	5.7
87.00732	1.1
89.00050	0.8
89.02296	50.6
89.04749	0.6
93.03322	0.4
95.01241	1.4
96.95883	0.7
97.02808	0.8
98.15952	0.4
99.00735	12.0
101.02299	25.6
105.03819	0.4
109.02827	2.1
113.01554	0.7
113.02310	10.8
115.03845	0.6
119.03367	9.4
121.02740	0.4
125.02280	2.7
131.03369	5.4
132.26474	0.4
135.04369	0.6
143.03401	1.9
145.54782	1.0
147.04359	2.3
149.02376	1.6
149.04440	17.4
155.73677	0.4
159.03004	0.4
159.04422	1.4
161.04440	3.5
176.35675	0.4
177.90813	0.4
179.05537	3.3
191.05551	5.4
196.25720	0.6
213.80917	0.4
221.06604	2.2
233.06575	0.5
251.07643	2.1
253.04970	0.5
269.08206	1.4
284.03296	0.5
290.21692	0.9
293.08853	1.1
299.05707	0.8
311.09601	1.3
312.10202	0.6
313.07092	0.5
315.18198	5.3
326.11545	1.1
327.12579	0.7
349.40894	0.6
385.12939	1.8
445.09470	1.8
447.22397	100.0
448.22736	4.5
463.10397	1.3
463.17282	0.5
477.19077	2.0
507.12894	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94577	0.4
55.01734	1.4
57.03308	1.4
59.00978	0.8
59.01244	11.7
61.98690	0.5
69.03279	0.6
71.01237	18.9
73.02808	10.0
75.00736	0.6
75.18121	0.4
80.21690	0.4
82.95271	7.5
83.01244	4.1
85.02809	11.1
85.34486	0.5
87.00725	1.2
89.02296	6.1
93.14373	0.7
95.01237	1.7
96.95850	2.2
97.02796	1.2
98.95464	1.2
98.96257	0.5
99.00745	4.3
101.02300	25.3
101.04971	0.5
109.02795	1.2
111.00723	0.7
113.02309	9.2
119.03341	1.1
125.02320	2.1
129.01782	0.6
131.03391	0.5
136.58334	0.6
142.56172	0.5
143.03384	1.6
149.04466	0.8
153.01799	0.8
159.02863	1.8
161.04454	10.8
165.05452	1.4
171.14081	0.5
223.13266	0.6
233.06635	1.4
315.18118	25.1
333.20685	2.1
337.88263	0.6
352.06326	0.6
366.90323	0.7
447.22394	100.0
448.22702	3.3
464.92218	0.6
489.11444	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.7
57.03309	2.1
58.00487	0.7
58.99913	1.0
59.01242	100.0
59.02432	1.6
61.98693	9.0
66.64877	0.6
69.03328	2.9
71.01239	34.3
71.04875	5.1
72.01583	0.7
72.99170	1.6
73.02804	32.9
73.04456	0.6
75.00727	1.8
75.80020	0.6
78.91746	1.3
81.03333	2.2
83.01229	8.2
83.01633	0.7
83.04878	2.0
85.02810	7.3
87.00735	2.1
88.98666	2.2
89.02298	23.5
93.03360	0.8
95.01266	2.9
96.95888	2.2
97.02834	3.6
97.06456	4.9
99.00763	2.1
99.04382	2.9
101.02300	35.2
101.04939	0.8
109.06439	1.2
111.04417	1.0
111.08105	0.8
113.02304	20.4
115.03872	25.7
115.04645	1.6
119.03368	9.6
124.05145	1.1
125.02330	2.8
126.03160	1.3
128.03384	1.0
131.03403	1.9
140.46431	0.7
143.03410	3.6
147.11713	3.2
149.04475	1.3
151.00304	0.7
152.04323	1.0
155.10654	1.1
161.04443	8.6
165.05545	2.2
165.12778	1.7
179.05560	5.8
179.07103	1.1
191.05591	1.5
191.14404	1.7
207.13820	0.9
209.15456	10.6
233.15480	1.8
235.13478	3.0
249.15227	1.1
253.14439	19.9
256.58057	0.8
267.16049	1.3
271.15543	14.3
273.28973	0.8
277.20734	0.7
285.00662	0.8
295.15460	4.5
313.16730	2.0
334.60532	0.8
345.02841	0.9
387.20648	1.2
404.96301	0.9
415.19778	41.3
416.20276	1.5
433.20758	16.8
447.22546	2.2
475.22003	6.3
507.28082	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	507.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39694	0.3
50.82097	0.3
53.46892	0.3
57.03332	0.3
59.00072	1.9
59.01242	100.0
59.02553	0.9
61.98695	3.8
63.14844	0.3
71.01234	3.6
73.02812	1.5
75.00745	0.4
79.23714	0.3
83.01254	0.5
85.02818	1.1
87.00748	0.6
89.02291	2.6
95.01260	0.4
96.95898	1.1
97.02830	0.4
99.00781	0.4
101.02303	2.9
106.20494	0.3
113.02339	1.4
115.00237	0.5
119.03402	1.0
121.02802	0.4
123.08035	0.4
128.03424	0.6
131.03386	0.4
138.01833	1.9
139.02226	0.6
151.03979	0.5
151.07561	0.6
161.04517	1.6
173.04527	0.5
175.02390	1.0
176.04605	0.4
179.05515	0.7
201.07277	0.4
207.13899	0.9
243.15984	3.2
243.17996	0.3
285.16956	0.5
345.13461	0.5
387.20636	1.3
389.17984	0.4
405.21320	2.7
447.22366	6.9
507.18011	0.5
507.24921	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.5
57.03310	1.3
57.41541	0.4
57.68293	0.5
58.00451	1.0
59.00005	1.2
59.01241	67.4
59.02344	1.0
59.02581	0.7
60.01579	1.0
61.22382	0.5
61.98709	0.9
62.94531	0.5
69.03336	0.6
70.99580	0.5
71.01238	39.2
71.02708	0.7
71.98092	0.5
72.99168	2.4
73.02804	16.3
75.00744	0.7
78.28439	0.4
79.80985	0.5
81.03281	0.6
82.95275	6.0
83.01234	6.0
85.02805	14.0
87.00742	1.7
89.00031	0.8
89.02296	53.3
93.03319	0.7
94.92404	0.7
94.97982	0.9
95.01229	1.9
96.95866	3.5
97.02799	1.7
99.00735	17.6
99.01356	1.2
99.04420	0.6
100.99548	0.6
101.02301	44.6
105.83202	0.5
106.93826	0.5
109.02804	2.9
111.00690	0.7
113.02303	15.4
115.03876	0.8
118.88937	0.5
119.03383	4.6
121.02858	0.8
125.02280	3.1
131.03374	29.5
134.03624	1.0
135.04407	2.1
143.03392	2.1
145.54807	0.9
147.04344	1.0
149.02446	1.0
149.03250	1.3
149.04436	25.4
149.05821	1.1
149.06076	1.2
151.03854	0.8
153.01871	0.9
153.12740	0.6
159.02936	3.2
159.04121	0.7
161.04451	14.6
165.05473	2.8
177.05475	1.8
178.02570	0.7
179.05521	1.9
191.05554	6.2
193.01393	0.8
193.04866	0.6
211.03818	0.8
221.06651	1.9
227.03331	0.7
227.90779	0.5
233.06691	0.6
237.98474	0.5
247.01622	0.5
251.07657	3.9
261.71402	0.6
267.06448	0.8
281.56479	0.6
283.09131	0.6
290.21442	1.0
299.05502	0.6
311.09778	1.0
315.18158	74.0
316.18570	1.3
320.35907	0.7
320.78989	0.5
325.07211	1.1
326.07449	0.8
327.07782	2.3
351.14413	3.4
359.53073	0.5
384.05038	0.7
445.09167	0.7
446.20984	0.7
447.22372	100.0
448.22787	4.1
482.28159	0.7
507.02087	1.5
507.09470	2.4
507.15442	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61012	0.4
55.01744	0.9
57.03302	1.1
58.99917	0.4
59.01243	25.6
61.77060	0.4
61.98692	5.8
69.03294	0.7
71.01239	24.7
71.02792	0.5
72.99160	1.0
73.02805	11.8
75.00728	0.7
81.03304	0.5
82.95255	0.8
83.01242	7.6
85.02808	12.7
87.00729	1.5
88.98630	0.4
89.02300	4.1
90.85777	0.5
90.86254	0.5
93.03291	0.7
95.01248	1.1
96.95873	10.2
97.02790	1.1
99.00728	4.8
101.02304	27.4
102.02657	0.7
103.03874	0.8
106.16522	0.4
107.45183	0.4
109.02812	0.7
113.02306	11.2
119.03342	0.5
125.02311	1.9
133.02849	1.0
135.04388	2.4
137.02342	1.1
138.20844	0.5
139.11153	0.6
143.03404	1.4
145.54788	0.7
149.05919	0.7
153.01936	0.9
159.02884	3.2
159.04349	0.8
161.04449	15.5
161.05800	0.9
162.04921	0.7
163.06010	1.1
165.01868	1.8
165.05450	2.6
185.02380	0.8
186.03058	0.6
196.25723	0.6
213.01968	1.1
214.02646	1.0
229.07190	0.7
241.01472	0.7
242.02177	0.9
243.02975	0.6
245.00790	0.6
247.08095	0.8
256.03867	0.6
267.08096	0.5
269.08136	1.0
281.04688	0.5
285.00494	2.2
286.01120	1.5
301.16583	30.0
302.16940	1.0
307.10303	0.5
309.04309	0.7
314.16745	0.7
315.17422	1.5
349.35342	0.6
366.90509	0.7
375.04950	0.6
390.07080	0.6
429.28046	0.5
446.21155	1.9
447.22354	100.0
448.22607	2.9
463.10361	2.0
474.23489	1.0
507.09561	1.7
507.15253	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52073	0.5
53.68398	0.3
56.85459	0.4
59.01242	3.6
61.27483	0.4
65.45049	0.4
78.95760	9.6
92.02289	0.8
92.02887	0.7
96.96824	1.0
145.47479	0.4
152.99477	17.5
164.15843	0.5
171.00577	1.3
176.42001	0.5
227.03294	2.8
245.04239	1.5
279.23300	100.0
280.23535	1.9
300.34103	0.5
415.23734	0.5
507.27283	43.9
508.28012	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52069	0.6
51.57110	0.3
54.76392	0.3
56.70926	0.3
59.01230	1.3
61.38060	0.3
62.53419	0.3
63.86171	0.3
65.09162	0.3
68.19931	0.3
68.24480	0.3
68.37003	0.3
71.01237	0.4
72.99153	1.0
73.02811	0.5
73.73228	0.3
74.70511	0.4
78.95760	19.5
89.02275	0.6
92.02248	1.1
92.02864	0.8
96.96808	1.4
101.02273	0.7
117.03279	0.4
123.34875	0.4
133.48761	0.4
144.32422	0.6
145.02872	0.6
145.98917	0.4
150.97878	0.5
152.99474	35.1
171.00499	1.9
176.41885	0.4
178.87338	0.4
213.74394	0.4
227.03221	4.5
233.36098	0.4
245.04320	1.1
261.22232	0.4
274.90283	0.4
277.21732	1.6
279.11597	0.9
279.23291	100.0
280.23672	3.3
280.65952	0.4
291.23300	2.0
319.22910	1.3
415.22873	0.6
433.23779	1.1
507.27286	61.4
508.27548	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	507.2809
Annotation	Foliasalacioside H
Peak:m/z	Relative Intensity
50.39194	0.2
51.66533	0.2
54.25479	0.2
55.01750	0.4
57.03317	0.5
59.00063	1.4
59.01244	73.7
59.02577	0.9
60.01581	0.3
61.85058	0.3
61.98687	0.4
67.92135	0.2
69.03291	0.3
69.59802	0.2
71.01240	6.2
72.99200	0.3
73.02805	3.6
73.44149	0.3
75.00737	0.9
79.87305	0.2
82.95304	0.3
83.01237	2.3
85.02808	4.8
85.99957	0.5
87.00743	0.8
89.02289	0.8
92.89146	0.2
95.01262	0.7
96.95856	0.6
97.02824	0.4
98.95435	0.4
99.00733	1.2
101.02308	8.0
111.00767	0.5
113.02297	3.1
115.00258	0.4
125.02316	0.6
135.91484	1.4
138.75273	0.2
144.52922	0.2
150.96294	0.4
159.02890	0.8
161.04485	1.1
175.02397	1.1
227.05533	0.3
243.19714	1.0
329.03061	0.3
381.94324	0.3
387.24026	0.7
405.25003	2.5
429.24692	0.5
447.26416	2.3
465.27097	3.6
489.20813	0.5
489.27139	4.7
507.28110	100.0
508.28372	4.1
523.29144	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.6
68.82671	0.2
87.00737	0.4
93.03307	0.6
116.97993	0.2
117.03314	1.1
119.01538	1.4
119.04890	100.0
119.08672	0.9
120.05219	1.7
145.02834	4.0
146.03148	0.7
150.22795	0.3
162.98592	1.0
163.03903	91.5
163.09918	0.8
164.04233	1.5
236.80786	0.3
249.18575	0.4
256.98868	0.2
370.61905	0.2
415.24744	0.7
419.28168	1.0
507.29636	16.4
508.30035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.4
60.20382	0.1
66.27708	0.1
67.31337	0.1
74.64662	0.1
87.14653	0.1
87.84153	0.1
91.05379	0.2
91.73392	0.1
93.03332	0.5
101.02277	0.1
117.03325	1.1
119.01556	1.4
119.04889	100.0
119.08669	0.9
120.05209	1.4
145.02832	3.1
146.03163	0.2
162.98549	1.1
163.03902	91.5
163.10004	0.7
164.04218	1.2
175.19562	0.1
210.28244	0.1
273.69626	0.1
318.37823	0.1
351.52509	0.1
415.25012	0.4
507.29623	14.8
508.30093	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69416	0.2
59.01237	0.6
71.01250	0.2
80.81689	0.2
86.51960	0.2
92.69438	0.2
93.03323	0.6
112.69556	0.2
114.44646	0.2
115.86250	0.2
117.03345	1.6
117.57152	0.2
118.03576	0.2
118.31114	0.2
119.04891	100.0
119.08236	1.3
120.05222	2.2
145.02843	3.9
146.03162	1.1
147.03459	0.4
158.59026	0.2
163.03905	95.4
163.09280	1.1
164.04240	1.9
264.63773	0.2
277.38907	0.2
327.21606	0.2
349.91763	0.2
371.25891	0.3
414.23801	0.3
415.24460	0.9
432.24515	0.3
433.25018	0.5
506.27646	0.3
507.29541	16.8
508.29950	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2964
Annotation	Carthamoleusterone
Peak:m/z	Relative Intensity
56.41901	0.2
57.66540	0.2
59.01228	0.3
61.94737	0.2
61.98679	0.7
69.46293	0.6
71.01230	0.4
71.98677	0.2
73.66226	0.3
77.03828	0.2
82.95271	0.3
89.03858	0.3
90.62644	0.2
93.03279	0.3
95.04870	0.6
105.03310	3.4
106.04085	0.4
111.76513	0.2
117.03310	1.4
119.04910	0.3
121.02802	0.4
123.04375	0.5
125.09602	0.5
127.11127	1.5
132.02045	7.7
133.02834	18.8
134.03618	18.1
135.04395	5.2
137.02306	2.3
137.34547	0.3
139.03888	0.7
143.10782	0.2
147.04396	0.3
148.05194	0.7
149.06003	1.3
155.10660	0.6
157.12256	0.8
159.95866	0.5
160.01556	49.2
160.06630	0.5
161.02342	14.0
161.05898	1.2
162.02803	0.3
171.10223	0.5
174.97359	0.9
175.03915	100.0
176.04247	1.4
177.01889	0.8
178.02608	1.1
179.03383	2.6
187.13264	0.3
193.04999	8.6
195.17012	0.3
201.11171	0.4
204.11690	0.2
214.65930	0.2
233.08142	0.3
242.56499	0.2
245.11830	0.3
247.09637	0.3
251.07213	0.3
261.11096	0.4
289.14453	0.8
295.22919	0.5
311.22253	0.3
313.23868	2.7
319.15494	4.7
329.23389	1.2
331.24921	21.9
332.25150	0.4
333.17249	0.4
344.48254	0.2
349.16446	0.5
391.21097	0.4
403.24655	0.4
405.22772	1.6
407.18625	0.2
407.27853	1.2
431.28046	0.8
447.22211	0.4
469.73541	0.2
475.26968	4.4
489.28690	0.5
507.29663	85.9
508.30051	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	507.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.9
61.57578	0.9
61.57845	0.5
61.98693	4.4
67.57587	0.3
78.95757	0.7
89.02293	0.6
91.03864	0.7
93.03333	0.5
106.39172	0.4
117.03323	18.5
118.04118	1.8
119.04891	31.7
119.84127	0.4
120.05244	0.5
121.02837	3.4
123.04372	0.6
133.02841	1.0
145.02834	100.0
146.03148	2.3
162.03114	0.7
163.03905	22.5
175.02451	1.0
204.45508	0.4
237.07864	0.4
269.21204	2.1
287.22299	8.9
347.25848	0.7
370.21826	0.5
404.11511	1.0
415.24927	14.8
416.25482	1.0
424.30753	0.5
433.25928	17.6
434.25989	0.8
459.87158	0.5
506.28448	0.6
507.29617	71.8
508.30112	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69642	0.2
53.61764	0.2
55.24805	0.2
59.01236	2.2
61.57572	0.7
61.98689	0.8
66.44164	0.2
71.01234	0.5
76.57398	0.2
78.95753	0.6
80.39700	0.2
84.33490	0.2
85.15582	0.2
87.00737	0.3
89.02301	0.6
91.03880	1.1
93.03297	0.4
115.00254	0.2
117.03326	20.3
117.06419	0.3
118.04148	1.9
119.04893	33.5
120.05209	0.4
121.02812	3.2
123.04391	0.9
132.04694	0.2
133.02837	0.9
134.03583	0.4
144.97917	1.0
145.02834	100.0
145.07097	1.0
146.03166	1.3
152.99480	1.1
162.03065	1.1
163.03906	22.1
164.04172	0.2
175.02388	0.6
181.37267	0.2
250.24756	0.2
259.20703	0.3
269.21237	2.3
287.22281	8.5
288.22440	0.3
347.25928	0.5
371.25711	0.3
415.24921	15.6
416.25162	0.6
433.25967	17.0
434.26318	0.6
449.23410	0.4
507.29645	68.8
508.29965	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	507.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20684	1.4
51.69458	1.3
58.42362	1.7
59.01235	10.3
61.98692	19.6
63.92227	1.4
71.01226	6.7
72.39104	1.6
78.95750	4.1
87.00720	5.7
96.95866	4.4
103.07602	2.4
110.47330	1.7
111.00661	2.1
113.17742	1.7
115.00243	11.8
117.03338	14.5
119.04886	35.6
121.02813	3.4
123.04383	1.7
129.24252	1.9
139.00247	3.5
140.13535	1.9
145.02838	100.0
146.03177	5.2
152.99469	4.4
155.64780	2.2
157.01279	3.9
163.03909	23.7
175.02377	25.1
259.20755	4.2
269.21194	2.9
287.22382	10.1
309.81998	2.1
331.19183	9.3
349.93130	2.0
355.22620	2.5
383.22302	3.6
385.98032	2.2
415.24838	16.0
427.21222	7.2
433.25919	16.8
445.22504	13.6
507.22794	3.6
507.29572	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	507.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43608	0.2
59.01250	1.8
59.50568	0.2
61.57570	0.8
61.57897	0.5
61.98691	2.8
71.01247	0.3
72.24966	0.3
72.99200	0.3
75.23999	0.2
78.91966	0.2
78.95750	0.4
78.99024	0.2
87.00755	0.3
87.94016	0.3
89.02304	0.3
91.03883	0.6
115.00236	0.9
117.03329	18.9
118.04139	1.4
119.01289	0.4
119.04893	33.3
121.02824	3.3
123.04397	0.7
132.30814	0.3
133.02844	1.1
134.03690	0.4
141.12761	0.4
144.97868	0.9
145.02837	100.0
145.07124	1.0
146.03168	1.9
151.41417	0.3
152.99495	0.5
157.01305	0.3
162.03078	1.0
163.03908	22.1
164.04283	0.6
167.90375	0.3
175.02383	1.5
211.58185	0.2
239.88791	0.3
269.21298	1.4
287.22321	9.7
362.68768	0.3
383.22418	0.3
389.27490	0.3
415.24933	14.1
416.25266	0.4
427.21277	0.4
433.25980	17.1
434.26190	0.7
445.22552	0.6
507.29654	71.4
508.30011	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	508.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94668	0.1
59.01240	0.8
61.97361	1.8
61.98692	100.0
61.99831	1.2
71.01230	1.0
73.02804	0.6
82.95277	0.8
83.01254	0.3
84.94965	0.5
85.02820	0.6
89.79293	0.2
101.02304	0.9
102.02679	0.2
103.02718	0.3
107.64377	0.2
108.02072	0.4
113.02302	0.4
123.04363	0.3
124.11609	0.2
129.78865	0.2
135.04442	0.4
161.04425	0.2
165.05527	0.2
167.07005	0.2
227.03409	0.4
228.04153	0.3
231.39038	0.2
248.94666	0.2
250.00739	0.2
255.02905	0.5
256.03830	0.5
259.69064	0.3
264.04211	0.3
265.04916	0.4
270.05338	0.6
279.02972	0.2
280.03543	0.4
281.04349	0.2
283.02240	0.3
292.03604	0.4
293.04541	0.3
294.05005	0.4
298.04407	0.5
306.04916	0.2
308.06317	0.3
314.16864	0.3
315.17114	0.4
321.03641	0.4
329.06750	0.5
329.88895	0.2
340.05753	0.2
347.79959	0.2
354.07010	0.3
365.06750	0.4
366.06967	0.5
431.11420	0.4
432.11099	0.3
445.09052	0.4
445.20816	0.3
446.21292	0.6
447.10806	0.3
447.21466	2.7
448.21719	2.3
490.12213	1.0
508.13354	5.9
509.14462	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	508.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39845	0.1
59.01238	0.5
61.97207	0.6
61.98694	100.0
61.99950	1.8
67.50504	0.1
71.01241	1.0
72.01579	0.2
73.02802	0.6
74.03143	0.2
76.71793	0.1
82.72740	0.1
83.01259	0.2
85.02804	0.6
86.03159	0.2
89.02330	0.3
89.03328	0.1
96.95878	0.5
101.02308	1.1
102.02662	0.3
103.02785	0.2
109.02802	0.2
113.02337	0.3
117.27573	0.1
127.00233	0.1
135.04335	0.1
161.04506	0.4
162.04800	0.2
163.04883	0.1
180.88953	0.1
260.19925	0.1
271.26147	0.1
313.16507	0.2
314.16928	0.2
315.17273	0.3
316.17526	0.2
331.25107	0.1
389.70480	0.1
445.20935	0.2
446.20981	0.7
447.21509	2.9
448.21805	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	1.8
67.48180	0.6
67.67556	0.6
74.15974	0.6
82.13151	0.8
83.43848	1.1
87.42651	0.6
90.59068	1.7
100.70313	0.6
108.02036	0.9
109.02819	3.1
123.04411	0.7
135.04335	0.7
137.02315	4.9
141.34991	0.7
143.40636	0.8
146.03683	1.0
147.04393	3.1
148.05162	1.3
149.05960	10.2
149.38669	0.7
151.03905	2.2
152.01042	0.8
159.04451	1.5
167.03395	2.2
171.04375	0.9
175.03957	1.2
186.03233	1.6
187.03941	5.3
198.03198	2.2
199.03951	2.6
199.07639	1.1
211.07689	1.0
214.02663	2.5
215.03468	5.3
216.04077	0.9
219.02890	1.1
225.05528	2.0
226.02620	0.9
227.03459	2.8
227.07079	3.1
237.00684	0.7
237.05513	2.4
239.07164	0.9
240.04277	1.9
242.02208	12.5
243.02974	17.7
243.05391	1.3
244.03751	4.4
248.58858	0.7
253.05112	0.9
255.02881	1.7
255.06564	2.3
256.03809	8.1
265.05063	2.2
267.06396	0.8
269.04425	1.0
271.02499	100.0
272.02899	3.6
280.03812	1.2
281.04630	3.3
282.05145	0.9
283.06091	15.9
284.06375	1.1
287.09250	2.3
291.03012	4.2
293.04526	3.4
294.05377	1.9
295.06119	28.2
296.06616	0.9
311.05716	3.8
335.02026	4.1
353.03061	5.3
365.18503	1.0
403.08224	15.1
421.09341	42.0
422.09894	2.3
449.24014	1.2
465.08328	2.1
509.07248	61.3
510.07596	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	509.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93223	0.8
54.58670	0.8
57.03311	3.5
59.01239	3.3
61.65066	0.9
61.98687	4.4
65.99703	3.8
66.39767	0.9
67.01743	4.1
68.99669	1.4
69.03309	2.8
71.01236	1.9
72.99167	21.9
73.02824	1.1
73.38397	0.9
79.01749	1.4
79.95596	2.1
81.03319	19.9
82.95262	1.8
85.02811	2.8
89.02327	1.7
93.03324	2.9
95.01248	8.8
96.95870	100.0
97.02812	6.4
98.95444	2.5
99.04395	3.0
101.02345	1.5
107.01261	9.9
108.02027	14.4
109.02814	88.6
109.05774	1.5
113.02307	28.1
115.05405	1.1
117.03354	1.1
119.04884	1.6
120.19013	1.1
121.02825	7.1
122.03606	1.5
123.00745	8.6
123.04412	2.8
123.58289	1.0
124.01556	1.7
124.72533	1.0
125.02315	50.9
126.02678	1.2
127.00517	0.9
127.82182	1.0
129.03333	1.3
131.04889	2.2
134.03642	1.4
135.04391	5.4
137.02310	3.4
139.03943	1.6
141.01826	4.3
143.04878	2.1
145.02809	6.7
146.03619	2.0
147.04417	8.5
150.10266	1.0
151.00262	85.6
152.01065	24.0
153.01826	53.0
154.02238	1.0
158.03641	2.1
159.04388	18.5
161.02435	1.5
161.04553	1.3
163.03902	1.6
165.05502	3.4
167.03418	12.6
173.02269	1.3
173.06128	1.8
175.03938	2.8
177.09163	2.5
179.03424	2.9
181.06516	1.2
185.06024	2.5
187.03955	1.5
191.03485	3.1
191.10811	1.6
193.06732	1.4
195.10175	1.8
197.04523	1.4
197.06146	1.3
203.03439	14.6
209.06099	1.8
211.07632	2.3
217.05043	1.7
221.06047	2.4
222.06813	2.5
224.04787	1.8
229.05017	3.0
237.05530	3.1
238.06332	1.6
239.07141	9.6
241.12254	1.4
243.02962	2.9
245.00929	2.2
249.05562	4.3
250.06323	5.3
255.06906	1.0
259.13345	4.6
261.04153	7.2
265.05078	14.8
266.05811	3.3
267.06635	82.8
268.07275	6.6
269.08176	7.2
270.01636	1.6
271.02542	8.6
273.04013	14.6
277.14557	1.5
281.04651	1.4
285.04108	9.3
285.07367	1.7
295.06140	1.4
303.12808	1.4
309.04037	5.3
311.05621	6.6
313.07184	3.8
321.13385	3.3
347.11136	1.4
352.02249	2.5
365.12399	2.2
377.10394	3.5
383.13531	45.6
384.13730	5.4
385.13947	6.4
404.10052	1.2
411.12820	4.5
421.09268	18.2
437.16544	1.8
439.12518	22.4
440.12939	2.4
441.12885	2.6
465.08228	1.8
471.12955	1.4
479.13379	2.8
508.12491	1.5
509.14453	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	509.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12563	0.3
52.99958	0.3
55.40456	0.3
55.89697	0.7
55.89923	0.4
57.03315	11.2
59.01248	3.8
62.70250	0.3
63.02260	0.8
65.00186	2.4
65.12217	0.3
66.27398	0.4
68.99660	0.4
69.03329	0.4
71.01243	1.2
71.24983	0.4
79.84800	0.4
81.03309	1.6
83.01241	7.1
85.02782	1.1
89.02309	1.3
93.03323	1.2
94.54446	0.3
95.01250	1.9
96.95878	1.6
97.02803	1.5
99.04366	0.4
99.39967	0.4
101.02303	1.9
107.01244	4.3
109.02794	2.3
110.78792	0.4
111.00756	1.1
113.02289	0.9
119.03381	0.8
121.02836	1.8
123.00745	1.8
123.04424	0.7
124.01535	4.0
124.82718	0.4
124.98883	1.0
125.02312	100.0
125.06178	1.0
126.02662	1.1
133.02863	0.4
134.03593	0.7
135.00708	0.4
135.04390	1.2
137.02306	2.6
138.84532	0.4
139.00233	0.5
139.03906	2.3
147.04419	0.6
149.01166	0.7
149.02322	11.8
151.00256	25.6
151.03889	0.6
152.01044	16.2
152.04608	0.5
153.01830	9.8
163.00266	1.5
163.03987	0.4
165.01808	6.3
166.02570	0.9
167.03409	1.7
167.07068	1.8
169.01370	0.6
170.59268	0.4
173.06017	0.6
175.03909	0.6
176.01065	0.7
177.01859	1.6
178.02670	1.3
178.99771	15.0
179.03401	1.8
181.01353	0.7
181.04980	0.5
183.04451	0.6
187.04008	0.8
189.01886	0.7
191.03413	1.0
193.01357	1.0
193.04976	1.2
199.03905	2.1
203.03462	1.0
207.02992	1.0
211.04065	0.9
215.03378	0.7
217.04973	0.9
222.05251	1.3
227.03513	1.7
229.05025	1.1
229.62213	0.4
231.03001	1.3
237.07719	0.8
239.05589	3.3
243.02975	4.4
245.04431	1.8
255.03072	1.4
259.09830	0.6
260.06958	0.8
261.07751	1.7
265.09888	0.8
271.02502	9.8
272.02911	0.4
273.04141	0.7
275.09277	0.8
279.08960	0.5
284.28839	0.4
285.04337	0.6
285.07690	1.6
286.04712	0.8
287.05377	0.5
288.06439	1.7
289.03497	1.1
298.04684	0.5
299.01974	22.1
301.07401	0.7
303.08969	2.4
304.05936	4.8
311.05878	0.6
313.03357	0.6
314.04330	16.9
315.04758	0.5
319.08234	58.6
320.08606	1.6
329.06699	51.2
330.06976	1.0
341.05161	0.5
342.05814	2.0
343.08255	0.6
345.15527	0.9
346.16043	2.0
347.07779	23.4
347.11435	1.0
347.16241	1.8
348.08047	0.9
371.07666	2.2
375.47052	0.4
380.53513	0.5
421.05716	0.6
447.03159	0.7
481.13431	0.8
491.02509	0.5
491.11954	1.3
491.26999	1.2
509.12991	85.5
510.13367	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	509.1301
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
54.22410	0.4
55.89701	1.0
55.89936	0.4
57.03318	10.8
59.01233	2.3
61.53245	0.4
63.02240	0.9
63.41490	0.4
65.00178	2.1
65.03845	0.4
67.08817	0.4
67.65734	0.4
68.58437	0.4
68.97382	0.4
69.03294	0.5
71.01228	1.7
73.02802	0.5
81.03307	1.5
83.01243	7.1
85.02843	0.5
87.00748	0.6
89.02283	1.2
90.14659	0.4
93.25041	0.5
95.01244	2.2
96.95872	0.9
97.02814	1.8
99.04407	0.6
107.01243	4.8
109.02809	2.0
111.00752	0.8
111.04398	0.4
113.02326	0.7
117.54337	0.5
119.03381	0.6
121.02763	1.1
123.00725	1.1
124.01552	4.3
125.02316	100.0
126.02643	1.7
131.39311	0.5
133.52765	0.5
135.04445	0.6
136.03853	0.4
137.02356	2.9
139.03883	2.6
147.04396	0.6
149.02350	11.2
151.00259	24.3
152.01042	17.7
152.04561	0.5
153.01828	9.9
161.02405	0.7
163.00269	1.9
165.01865	4.2
166.02617	0.6
167.03412	1.3
167.07008	1.3
169.01338	1.1
173.04433	0.6
177.01869	1.0
178.02643	1.2
178.99776	15.3
179.03450	1.7
180.00365	0.6
187.03951	0.9
191.03339	0.6
193.01373	0.9
193.04890	1.2
193.23732	0.5
199.03944	1.4
203.03502	0.9
207.03040	0.9
211.04175	0.6
211.06248	0.5
215.03435	0.7
217.05025	1.1
218.05730	0.6
222.05219	1.1
227.03458	1.6
229.05060	0.7
231.02957	1.2
237.07651	1.3
239.05615	3.1
243.02960	4.1
245.04570	1.7
260.06750	0.8
261.07648	1.1
271.02509	8.9
273.04099	1.1
275.09317	1.2
285.07767	1.0
286.04684	0.8
287.05481	0.7
288.06384	1.5
289.03564	1.4
299.01984	20.6
300.02396	0.9
303.08740	2.8
304.05893	4.3
313.03455	0.7
314.00671	0.9
314.04343	16.6
315.04843	0.7
319.08243	56.1
320.08542	1.1
329.06683	48.8
330.07056	1.1
341.05170	0.8
342.06036	2.6
343.08325	0.8
345.15594	1.2
346.16040	1.0
347.07800	23.3
347.11667	0.8
347.16245	1.1
348.08002	0.7
371.07953	1.6
423.24426	0.6
447.03275	0.7
481.13644	1.3
482.12894	0.6
491.02307	1.0
491.12131	0.8
491.27524	1.0
509.13013	83.1
510.13232	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	509.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07794	0.2
54.66548	0.2
57.34199	0.2
59.01247	2.2
61.98699	2.0
65.72301	0.2
71.01225	1.0
72.99154	1.1
73.02809	0.5
75.97073	0.2
78.95747	0.3
79.95586	2.0
82.95251	0.5
84.94976	0.6
87.00729	0.4
89.02295	0.5
96.93399	1.4
96.95865	100.0
98.94758	0.2
101.02280	0.5
104.54476	0.2
113.02300	0.3
116.07044	0.3
132.00270	0.2
149.04413	0.3
150.46191	0.3
213.14803	0.4
254.51675	0.3
275.16705	0.2
302.46436	0.2
319.15720	0.4
337.16565	1.5
411.16653	1.6
417.66006	0.3
428.22977	0.2
436.30026	0.7
437.30215	0.4
442.00906	0.2
448.22821	0.4
449.23611	1.0
509.25082	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07794	0.2
54.66548	0.2
57.34199	0.2
59.01247	2.2
61.98699	2.0
65.72301	0.2
71.01225	1.0
72.99154	1.1
73.02809	0.5
75.97073	0.2
78.95747	0.3
79.95586	2.0
82.95251	0.5
84.94976	0.6
87.00729	0.4
89.02295	0.5
96.93399	1.4
96.95865	100.0
98.94758	0.2
101.02280	0.5
104.54476	0.2
113.02300	0.3
116.07044	0.3
132.00270	0.2
149.04413	0.3
150.46191	0.3
213.14803	0.4
254.51675	0.3
275.16705	0.2
302.46436	0.2
319.15720	0.4
337.16565	1.5
411.16653	1.6
417.66006	0.3
428.22977	0.2
436.30026	0.7
437.30215	0.4
442.00906	0.2
448.22821	0.4
449.23611	1.0
509.25082	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68262	0.1
64.08363	0.1
71.01225	0.3
72.99171	1.4
79.95590	1.6
89.02281	0.3
92.13255	0.1
93.03247	0.1
96.93137	1.2
96.95869	100.0
96.98244	1.4
97.27634	0.1
101.02299	0.2
108.02076	0.2
109.02824	0.2
125.02312	0.2
128.26500	0.1
132.19989	0.1
137.02321	0.2
147.04434	0.2
152.01131	0.2
157.41457	0.1
163.00198	0.2
167.03409	1.9
167.07100	0.2
177.01956	0.2
265.05118	0.3
347.11490	0.2
355.00830	0.2
361.79462	0.2
396.26718	0.2
411.16672	0.7
463.21796	0.2
509.13846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20171	0.2
59.01006	0.3
59.01247	3.1
60.01558	0.4
61.98699	1.8
67.70802	0.3
71.01245	2.7
72.01565	0.4
72.99172	1.0
73.02798	0.9
77.94059	0.2
79.95597	2.1
80.34180	0.3
82.95282	2.4
84.94973	3.0
85.02777	0.4
89.02296	4.2
90.02624	0.7
91.02705	0.5
93.03330	0.3
96.93102	1.0
96.95870	100.0
96.98333	1.5
99.00750	1.4
101.02328	1.5
102.02596	0.4
108.02025	0.3
109.02782	1.4
111.00706	0.4
113.02316	0.5
114.02686	0.3
119.03340	0.3
119.74474	0.2
121.02835	0.6
122.03574	1.4
125.02306	0.8
131.03415	0.6
134.03596	0.4
135.04427	1.1
137.02328	1.0
145.02815	0.5
146.03616	5.2
147.04376	0.6
149.04471	2.1
149.05536	0.3
150.04811	0.7
153.01855	0.6
161.05997	1.2
163.03905	1.1
164.04698	4.0
165.05467	0.4
167.98763	0.6
179.07022	3.3
192.05945	0.3
193.04976	0.6
199.03911	0.4
200.04752	1.9
211.03914	0.7
212.04704	0.4
213.01886	0.5
227.03464	7.6
228.04211	3.0
229.04834	0.3
237.05576	0.5
239.03503	0.7
240.04254	1.2
241.05086	0.7
242.02133	0.7
243.02975	1.0
243.06628	0.5
253.05121	0.5
255.02963	2.9
256.03775	19.2
257.04449	1.7
259.04382	1.3
265.05118	1.3
267.02982	0.6
267.06461	0.5
268.03754	1.2
269.04590	2.2
270.01990	0.8
270.05338	6.3
271.02594	1.0
271.06140	5.7
280.03741	0.4
282.05374	0.4
283.06113	0.8
285.04117	2.2
288.02829	1.6
293.08759	0.4
295.02585	0.7
295.05856	0.4
296.03323	1.2
297.04080	1.2
298.04828	2.6
298.08243	0.4
299.05646	2.2
299.08990	0.5
302.04272	2.9
305.22070	0.9
309.04108	0.8
313.07202	2.5
313.10541	0.5
314.04349	3.0
319.15588	0.5
323.05518	0.3
325.07339	0.4
326.04202	0.8
327.05115	1.4
329.06696	23.0
330.07169	0.6
337.16519	0.9
339.04959	0.9
341.06653	2.7
352.02145	0.8
357.06207	1.4
371.07730	2.4
417.09766	0.4
437.16104	1.4
448.22723	3.4
449.23016	1.9
463.85913	0.5
465.15656	2.1
479.13641	3.5
481.15027	1.3
509.14548	53.3
510.14874	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	509.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20171	0.2
59.01006	0.3
59.01247	3.1
60.01558	0.4
61.98699	1.8
67.70802	0.3
71.01245	2.7
72.01565	0.4
72.99172	1.0
73.02798	0.9
77.94059	0.2
79.95597	2.1
80.34180	0.3
82.95282	2.4
84.94973	3.0
85.02777	0.4
89.02296	4.2
90.02624	0.7
91.02705	0.5
93.03330	0.3
96.93102	1.0
96.95870	100.0
96.98333	1.5
99.00750	1.4
101.02328	1.5
102.02596	0.4
108.02025	0.3
109.02782	1.4
111.00706	0.4
113.02316	0.5
114.02686	0.3
119.03340	0.3
119.74474	0.2
121.02835	0.6
122.03574	1.4
125.02306	0.8
131.03415	0.6
134.03596	0.4
135.04427	1.1
137.02328	1.0
145.02815	0.5
146.03616	5.2
147.04376	0.6
149.04471	2.1
149.05536	0.3
150.04811	0.7
153.01855	0.6
161.05997	1.2
163.03905	1.1
164.04698	4.0
165.05467	0.4
167.98763	0.6
179.07022	3.3
192.05945	0.3
193.04976	0.6
199.03911	0.4
200.04752	1.9
211.03914	0.7
212.04704	0.4
213.01886	0.5
227.03464	7.6
228.04211	3.0
229.04834	0.3
237.05576	0.5
239.03503	0.7
240.04254	1.2
241.05086	0.7
242.02133	0.7
243.02975	1.0
243.06628	0.5
253.05121	0.5
255.02963	2.9
256.03775	19.2
257.04449	1.7
259.04382	1.3
265.05118	1.3
267.02982	0.6
267.06461	0.5
268.03754	1.2
269.04590	2.2
270.01990	0.8
270.05338	6.3
271.02594	1.0
271.06140	5.7
280.03741	0.4
282.05374	0.4
283.06113	0.8
285.04117	2.2
288.02829	1.6
293.08759	0.4
295.02585	0.7
295.05856	0.4
296.03323	1.2
297.04080	1.2
298.04828	2.6
298.08243	0.4
299.05646	2.2
299.08990	0.5
302.04272	2.9
305.22070	0.9
309.04108	0.8
313.07202	2.5
313.10541	0.5
314.04349	3.0
319.15588	0.5
323.05518	0.3
325.07339	0.4
326.04202	0.8
327.05115	1.4
329.06696	23.0
330.07169	0.6
337.16519	0.9
339.04959	0.9
341.06653	2.7
352.02145	0.8
357.06207	1.4
371.07730	2.4
417.09766	0.4
437.16104	1.4
448.22723	3.4
449.23016	1.9
463.85913	0.5
465.15656	2.1
479.13641	3.5
481.15027	1.3
509.14548	53.3
510.14874	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	509.1665
Annotation	Plumerubroside
Peak:m/z	Relative Intensity
51.39808	0.2
54.97334	0.2
57.83977	0.2
59.01233	0.2
60.44579	0.3
60.64502	0.3
61.59389	0.2
65.99696	0.3
81.03313	1.0
93.03307	0.6
102.82627	0.2
107.01250	0.6
108.02038	1.1
109.02112	0.4
109.02812	4.5
116.96189	0.3
121.02820	3.4
122.03606	10.8
123.00750	0.7
123.04409	2.4
124.01524	2.1
125.02302	1.0
133.04991	0.2
134.03613	6.1
135.04396	3.9
136.01546	4.5
136.05170	0.8
137.01331	0.2
137.02327	4.3
137.05934	0.4
137.06926	0.2
145.02904	1.0
147.04398	0.6
149.05957	0.9
151.00241	2.2
151.03883	2.2
152.01024	1.0
152.04663	0.8
153.01831	2.2
154.02667	0.3
159.04420	0.9
165.01855	1.7
166.02608	9.0
167.03334	0.3
167.07021	0.3
178.01035	0.4
178.02626	12.1
179.03410	14.5
180.04195	1.6
181.01340	4.6
181.04886	0.3
192.04173	0.6
193.04988	6.0
195.02922	3.3
196.03691	4.0
198.01634	7.6
203.03508	1.2
209.04457	1.3
210.05313	0.7
212.03181	2.0
228.02721	5.2
228.04845	0.4
237.05592	0.8
239.07104	0.5
241.04913	0.3
242.04219	0.7
242.06172	0.5
250.06409	0.3
255.06641	4.8
257.08163	0.4
258.08945	1.4
259.09753	0.4
261.03915	0.4
267.06653	2.4
268.07285	0.3
269.08246	0.5
269.11279	0.2
270.08954	3.6
273.11328	1.9
278.28943	0.2
285.07736	1.4
285.11362	1.6
286.04797	0.5
298.04898	0.3
299.05664	1.1
301.07196	0.9
302.07916	1.3
303.08759	0.9
303.12253	0.5
314.07993	2.0
315.08749	0.6
317.10312	6.1
329.10318	6.1
332.09125	0.8
347.11380	100.0
348.11731	1.9
389.12811	0.2
466.61176	0.2
509.16345	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91470	0.5
57.03320	1.0
58.22796	0.9
59.01247	6.6
65.63754	0.8
65.93307	0.7
67.23694	0.6
71.01244	3.0
74.98947	3.6
85.02793	1.7
89.02300	3.2
93.69228	0.7
93.93699	0.6
96.95869	5.1
101.02309	3.1
105.95518	0.7
108.02029	19.7
108.02774	1.1
109.02811	4.1
111.00809	0.7
113.02283	1.1
119.03382	1.6
123.00827	0.8
123.04375	11.2
123.05170	1.3
125.02360	0.9
135.04376	1.0
136.99030	3.7
137.02367	1.0
138.13080	0.7
138.63551	0.8
147.04408	1.3
149.02380	0.8
151.00246	1.3
152.01038	45.1
152.05981	0.8
159.04431	1.5
166.02596	2.7
167.03398	100.0
167.10670	1.3
168.03749	0.8
179.03477	0.9
181.05002	3.0
187.83238	0.7
209.04486	4.7
214.90608	3.5
215.03485	0.9
217.05052	1.4
225.05547	0.9
235.92972	0.7
237.05490	1.0
254.05856	1.7
267.06647	1.4
269.04440	1.0
347.11310	26.6
347.17068	14.3
377.10306	2.4
389.12238	0.9
421.09512	3.5
452.87439	1.0
465.08301	8.3
478.17966	1.3
479.17892	2.2
490.17947	1.7
491.18488	1.7
509.08990	1.5
509.16187	9.6
509.21487	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1804
Annotation	SCHEMBL504410
Peak:m/z	Relative Intensity
52.63800	1.0
59.01233	5.4
61.98686	4.5
64.54827	1.2
67.01732	1.2
71.01235	2.7
72.99173	1.5
78.29688	1.2
79.95610	1.8
80.32718	1.1
81.03322	7.1
87.00743	1.3
89.02306	2.7
93.03331	1.7
94.12620	1.5
95.01266	1.2
96.95869	64.2
97.02869	1.9
101.02329	1.9
107.01266	1.8
107.04895	2.5
108.02065	2.0
109.02802	7.5
119.03390	1.6
121.02834	2.7
123.00799	2.4
125.02293	14.1
127.94453	1.3
135.04413	6.6
137.02376	1.4
147.04462	1.6
151.00264	20.0
151.01347	2.0
151.03951	2.5
151.46133	1.4
152.01089	2.7
153.01884	3.3
155.89626	1.5
163.06065	2.5
165.05470	10.0
165.09105	20.5
167.03450	2.3
168.37093	1.5
169.01311	3.2
179.03432	1.4
183.51120	1.2
185.09537	1.3
239.03503	1.8
240.68585	1.7
265.05072	2.9
267.06595	3.2
291.02689	1.8
295.06143	3.1
309.11304	3.1
311.02203	2.2
316.08179	1.7
333.11456	4.0
343.08002	10.5
348.13550	3.3
368.23285	1.5
405.63815	1.4
429.21210	2.0
435.14633	4.1
447.14157	6.6
449.12814	1.8
465.15729	8.6
479.13797	5.3
491.13681	3.4
509.17557	100.0
510.17520	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	509.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92017	1.9
55.01745	1.6
57.03318	2.1
59.01240	100.0
61.98692	9.4
69.03304	3.8
71.01239	44.6
73.02802	52.3
75.00727	2.5
77.00809	1.8
83.01244	14.4
85.02799	10.0
87.00746	4.9
88.98677	2.1
89.02300	24.0
95.01240	2.7
96.95885	9.3
99.00739	3.1
101.02299	52.5
113.02303	27.3
113.47340	1.8
115.03836	1.8
119.03357	11.9
125.02325	7.3
128.03397	3.2
131.03374	7.8
135.04382	2.9
143.03366	6.8
149.04442	7.9
161.04475	17.6
173.04463	7.0
179.05550	5.3
191.05508	3.1
194.65082	2.0
203.05531	4.8
221.06618	6.7
243.15900	1.8
261.17038	2.4
291.14432	2.3
306.07877	2.0
357.73306	1.9
405.21384	13.4
423.22446	5.3
449.19235	3.2
449.24115	7.1
465.23557	15.8
467.21179	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	509.2545
Annotation	Kadlongilactone D
Peak:m/z	Relative Intensity
51.15201	2.4
56.43325	2.0
57.03308	5.4
57.13165	2.3
57.24453	2.5
70.51694	2.5
70.52747	2.5
99.07994	17.5
116.45613	2.7
125.09634	3.1
127.07535	7.8
135.04399	29.6
137.06029	4.1
157.71147	2.7
161.02354	2.8
175.03967	4.0
203.03535	4.2
206.09494	8.3
219.10271	13.2
220.11041	7.6
231.06517	4.2
231.13901	4.9
247.09825	10.8
259.09839	3.7
264.09979	4.7
321.18683	4.6
329.21228	4.8
339.19724	6.5
363.19629	4.2
381.20978	6.7
421.27524	14.2
447.25717	9.2
465.26587	21.1
466.20013	3.4
491.24643	4.6
509.25549	100.0
519.35675	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	509.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51004	1.0
57.03318	3.0
59.01243	5.1
64.10507	1.0
67.01752	1.4
69.03333	1.4
72.99174	4.5
73.18157	0.9
77.89559	0.9
81.03329	2.2
81.51740	0.9
83.04857	2.2
84.02039	1.0
85.02831	1.6
93.03304	1.8
95.04864	1.0
97.02863	1.4
97.06473	1.2
99.08029	4.5
101.05957	4.3
107.04883	1.8
107.61147	1.1
109.02789	1.5
121.02843	2.9
123.04394	5.7
123.08051	3.8
125.06013	1.3
127.07539	1.4
133.06485	2.7
135.04431	2.5
141.09154	1.1
143.04956	1.2
145.02913	1.3
149.06096	1.1
157.06479	2.4
159.04333	1.3
163.07585	2.8
165.09134	2.6
171.04442	1.6
185.05984	2.6
191.10757	1.5
193.08670	1.5
201.12839	1.4
203.10806	2.5
205.12302	1.8
207.10184	5.6
215.10785	5.2
217.08665	1.3
217.12276	5.7
225.09196	1.3
229.12320	18.7
231.10094	2.5
233.11850	3.1
241.12328	3.0
242.37030	1.3
243.10292	7.1
245.11795	5.5
247.13399	5.6
253.12415	2.1
257.11905	2.1
259.09839	2.4
261.11365	16.5
262.12112	1.4
265.14639	1.9
267.13904	1.6
269.11835	1.4
275.09198	1.9
283.13367	3.1
285.14923	1.4
297.14951	1.7
298.84940	1.3
337.17883	1.3
388.95514	1.2
443.22510	2.8
445.23663	2.7
447.25449	1.5
449.36227	2.8
455.22543	2.3
461.23489	3.3
463.24988	6.3
465.26819	2.8
473.23395	4.1
479.24258	5.8
491.24362	24.2
509.25488	100.0
510.25769	5.0
523.04407	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	509.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	2.9
58.03934	1.6
58.51830	1.6
62.53751	1.6
67.01779	1.7
78.95762	2.8
81.03330	2.8
83.67528	2.1
93.03320	3.3
96.96738	2.0
99.08054	4.5
107.04917	5.3
109.02858	2.9
111.04381	2.7
121.02859	2.8
122.03646	2.1
123.04420	5.6
133.06503	6.1
139.07553	2.9
146.03601	3.4
146.71919	2.2
147.04471	2.4
148.64995	2.1
149.05956	10.8
159.04489	2.8
161.06046	8.0
163.07611	5.6
165.09074	11.7
172.05350	3.1
173.06017	5.0
185.06126	2.7
187.04007	2.8
187.11261	4.8
188.04810	4.4
189.05606	6.4
191.10728	4.0
198.55696	2.8
202.06496	3.3
203.10811	7.2
205.12393	7.4
207.10213	2.6
215.10710	16.8
216.92360	2.2
217.12308	12.0
223.07832	2.3
227.10826	2.8
229.12379	3.6
230.09529	5.8
231.10190	11.7
233.11821	64.3
243.10381	9.4
244.11021	2.7
245.11812	100.0
246.12378	3.3
247.09869	3.3
247.13402	18.2
257.11923	7.7
258.09299	2.5
258.12653	2.7
259.09845	9.8
260.10562	50.6
261.11295	20.0
263.12955	12.2
275.09409	2.7
279.23257	2.7
280.23929	3.1
297.10907	2.7
340.91544	2.3
373.14587	3.3
381.20520	3.2
389.17670	5.3
423.53876	2.7
461.23398	4.7
463.24936	6.8
465.26547	8.0
473.23477	6.9
479.23996	15.6
491.24280	16.7
509.25565	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.5
58.99908	1.0
59.01242	100.0
59.02398	1.8
60.01577	0.4
61.66627	0.3
71.00870	0.7
71.01241	8.1
71.78799	0.3
72.99168	0.4
73.02802	7.9
75.00729	0.5
83.01252	2.5
85.02813	1.8
87.00723	0.8
89.02293	6.6
96.95879	0.6
97.56197	0.3
99.00774	0.5
99.08008	6.8
101.02301	9.7
103.96761	0.4
112.26473	0.4
113.02300	5.1
115.03855	0.4
119.03378	2.9
123.42254	0.3
125.02329	0.6
127.07516	8.6
129.05444	30.7
129.09169	0.5
130.05806	0.6
131.03363	1.1
143.03345	1.1
144.01508	0.4
145.02847	0.4
145.08569	1.3
149.04446	1.5
161.04449	4.0
171.06564	1.6
179.05518	0.5
181.76212	0.4
189.07605	63.4
190.07912	1.2
203.05519	0.6
215.80016	0.3
238.74232	0.4
245.17662	0.9
302.97107	1.2
335.17056	0.5
389.21777	6.6
391.19922	0.4
407.22910	5.8
449.07431	0.4
449.24005	15.4
450.24091	0.6
509.21777	3.7
516.73242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36928	0.7
54.08641	0.6
58.77990	0.6
59.39027	0.6
63.94218	0.7
67.01508	0.6
78.95592	6.5
78.96109	2.2
81.15308	0.7
87.72379	0.7
92.56412	1.0
96.96670	1.0
121.11588	0.7
121.70195	0.8
123.04266	1.1
123.49213	0.8
152.99469	17.1
171.00398	1.2
171.55318	0.9
215.10551	0.9
227.03087	2.8
281.24878	100.0
282.25256	2.9
315.87656	0.8
373.89359	0.8
508.25140	1.0
509.29575	29.8
510.29977	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98693	12.6
63.02238	0.5
65.00188	0.5
69.53427	0.3
80.49335	0.3
83.01237	0.4
90.65622	0.9
90.66228	0.8
90.82428	0.6
90.82917	0.3
91.73042	1.9
93.03264	0.4
107.01257	2.0
108.02058	0.7
109.02831	1.5
121.02800	2.5
128.29811	0.4
135.00795	0.5
140.84503	0.4
148.01495	0.7
149.02322	0.6
151.00255	10.8
163.00241	3.1
164.01131	0.6
178.99808	5.5
183.04462	0.5
190.99773	0.5
192.00528	0.4
193.01263	0.6
201.05548	0.8
203.03503	0.4
211.03952	1.4
226.02666	1.1
227.03467	2.6
232.64127	0.4
243.02937	6.0
245.04591	1.5
253.01216	0.4
254.02129	1.4
255.02982	17.1
256.03433	1.0
271.02496	35.8
272.03009	2.9
273.04156	1.3
283.02509	1.4
299.01904	1.1
300.02762	69.4
301.03531	48.9
302.03949	1.7
447.09344	100.0
448.09668	8.1
468.88464	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87342	0.1
59.01244	0.6
61.97435	1.8
61.98693	100.0
62.00126	1.2
62.58783	0.1
71.01247	0.4
80.53735	0.1
85.02808	0.1
89.02318	0.6
91.02717	0.2
101.02311	0.2
104.45217	0.2
108.02039	0.2
109.02804	1.5
123.45551	0.2
125.02319	0.2
138.92795	0.1
144.41295	0.1
147.04420	0.2
149.04605	0.1
151.00266	0.3
151.03925	0.3
152.01082	0.3
153.01823	2.1
155.18091	0.1
161.05989	0.2
203.69434	0.1
216.04169	0.1
217.05066	0.6
218.05397	0.3
230.05399	0.2
267.06693	0.9
295.09299	0.2
296.09561	0.3
297.07803	0.4
313.10852	0.7
315.07516	0.5
316.49683	0.2
326.81671	0.2
343.12189	0.2
378.10931	0.4
422.09406	0.9
467.17194	1.6
510.23199	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	510.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19723	0.2
59.01245	0.6
59.54678	0.2
60.99177	0.7
61.97519	1.5
61.98692	100.0
62.00051	1.7
67.09576	0.2
71.01246	1.0
72.01596	0.2
72.99170	1.1
73.02805	0.5
75.93420	0.2
84.94978	0.3
85.02809	0.6
88.98656	6.5
88.99174	0.4
89.02280	0.4
96.95880	0.8
99.00736	0.2
99.31143	0.2
101.02309	1.5
102.02628	0.2
103.02716	0.3
113.02311	0.5
125.14264	0.2
125.29047	0.2
157.94075	0.2
161.04498	0.7
162.04802	0.2
203.38367	0.2
247.66939	0.2
279.02371	1.3
285.03909	0.3
316.18497	0.3
317.18942	0.6
354.07184	0.3
373.27609	0.3
447.22672	0.4
448.23074	0.7
449.22952	3.1
450.23148	3.2
470.48984	0.2
492.13950	1.1
510.15125	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19723	0.2
59.01245	0.6
59.54678	0.2
60.99177	0.7
61.97519	1.5
61.98692	100.0
62.00051	1.7
67.09576	0.2
71.01246	1.0
72.01596	0.2
72.99170	1.1
73.02805	0.5
75.93420	0.2
84.94978	0.3
85.02809	0.6
88.98656	6.5
88.99174	0.4
89.02280	0.4
96.95880	0.8
99.00736	0.2
99.31143	0.2
101.02309	1.5
102.02628	0.2
103.02716	0.3
113.02311	0.5
125.14264	0.2
125.29047	0.2
157.94075	0.2
161.04498	0.7
162.04802	0.2
203.38367	0.2
247.66939	0.2
279.02371	1.3
285.03909	0.3
316.18497	0.3
317.18942	0.6
354.07184	0.3
373.27609	0.3
447.22672	0.4
448.23074	0.7
449.22952	3.1
450.23148	3.2
470.48984	0.2
492.13950	1.1
510.15125	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	0.3
59.01226	1.1
61.97266	1.2
61.98693	100.0
61.99957	1.9
66.87192	0.2
71.01239	1.5
72.99178	0.2
73.02805	0.8
76.76954	0.2
78.87643	0.2
82.35179	0.2
83.01221	0.5
84.94960	1.3
85.02826	0.7
87.00732	0.2
89.02309	0.7
96.95848	0.2
99.00739	0.3
101.02303	2.7
102.02642	0.6
103.00249	0.3
113.02335	0.7
114.02674	0.3
125.02319	0.4
131.03421	0.2
153.01897	0.3
159.02850	0.3
161.04436	0.6
163.04832	0.2
165.05479	0.7
166.05838	0.4
167.00842	0.3
190.77650	0.2
238.05927	0.3
265.05063	0.5
276.21274	0.2
310.04767	0.3
315.18280	0.5
316.18652	0.8
317.18658	0.7
318.18936	0.5
367.14157	0.7
447.22565	0.4
448.22998	0.9
449.22952	3.9
450.23199	5.0
471.03192	0.2
511.26297	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36391	0.1
59.01241	0.7
61.97235	0.9
61.98692	100.0
61.99945	1.9
71.01226	0.8
71.39503	0.1
72.00776	0.1
73.02798	0.3
79.23925	0.2
89.02317	0.9
90.02647	0.2
91.02766	0.2
93.36372	0.2
96.95850	0.2
101.02304	0.4
102.02663	0.2
105.83908	0.1
109.02832	0.2
113.02269	0.2
125.02310	0.2
137.02423	0.2
143.91443	0.2
149.04443	0.2
151.00281	0.3
152.00917	0.2
165.05524	0.2
165.09125	0.8
166.09471	0.4
193.97780	0.2
227.41017	0.2
234.78226	0.2
245.00929	0.2
267.06747	0.2
299.13083	0.2
329.13879	0.2
367.14063	0.2
448.23294	0.2
449.23441	0.8
450.23254	1.0
460.91928	0.2
480.20978	0.2
510.15057	0.5
511.25912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	2.9
60.32129	0.9
61.98692	20.1
63.99114	2.2
66.42632	1.1
72.99155	1.3
83.23431	1.0
84.94969	2.4
86.92108	1.0
87.00737	1.1
88.98616	1.4
93.03329	2.8
96.95879	3.8
101.02258	1.8
105.45002	1.0
108.02051	1.9
109.02812	14.1
117.03316	2.6
121.02827	3.8
125.02331	1.2
131.04541	1.0
135.04395	2.2
136.76561	1.1
139.60820	1.3
145.02832	32.3
146.03525	1.4
147.04402	1.2
151.00317	2.1
152.01022	1.9
153.01848	3.3
158.03644	1.3
159.04387	3.7
163.03903	2.9
163.07515	1.4
165.05424	2.0
173.02347	5.4
175.03883	2.8
177.01912	1.7
179.03366	1.3
193.06543	1.7
196.05287	1.7
197.05963	1.5
201.01869	3.4
209.06062	2.5
210.06779	2.5
211.07634	5.5
219.03001	1.4
221.06013	3.4
222.06786	2.3
224.04684	1.7
237.05576	2.3
238.06313	3.2
239.07295	6.8
245.00943	11.7
249.05672	3.8
250.06294	10.1
265.05078	5.9
266.05780	7.3
267.06638	100.0
268.06927	2.4
269.04651	1.5
281.04507	1.5
281.37717	1.5
298.04761	1.6
299.05542	2.7
304.20401	2.5
306.14569	1.5
309.04117	1.6
311.05615	26.8
313.07190	3.1
348.19351	2.8
349.20154	5.1
355.04352	6.1
451.19629	1.4
498.11386	1.7
511.08365	6.1
511.16287	10.1
511.25021	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	511.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36841	0.5
55.01741	0.6
57.03298	1.4
58.99936	0.4
59.01242	31.8
61.98694	6.0
61.99922	0.4
69.03307	0.9
71.01237	18.3
71.04868	2.1
71.34129	0.4
72.99157	1.6
73.02806	7.1
74.02550	0.5
75.00732	1.2
83.01224	4.6
85.02803	13.3
85.99957	0.9
87.00740	1.1
89.02271	1.3
93.03328	2.5
93.03881	0.5
95.01230	1.8
96.95877	1.3
97.02826	1.2
99.00752	3.4
101.02300	12.9
105.55701	0.5
107.54745	0.5
111.35864	0.5
113.02299	8.2
116.92717	0.5
119.43723	0.4
125.02306	1.0
142.02592	0.9
143.03363	1.1
147.08041	3.3
149.09641	0.6
159.02861	1.1
161.04474	3.7
169.39922	0.5
191.07091	2.3
231.10136	0.6
258.61755	0.5
263.12869	11.9
264.13177	0.6
308.88715	0.6
383.14203	0.5
407.17075	6.0
425.18210	18.5
426.17957	0.7
467.19223	100.0
468.19626	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	511.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81628	0.8
57.03318	59.7
58.99944	1.2
59.01244	81.8
59.02408	1.5
69.03317	1.3
71.01239	22.7
72.99147	1.0
73.02804	9.8
77.23620	1.0
78.42659	0.9
81.03319	2.1
83.01254	5.8
85.02804	13.6
87.00735	9.7
89.02315	4.8
95.01234	1.4
96.95875	5.9
97.02818	1.5
99.00723	5.0
99.04378	67.8
101.02307	39.4
101.02961	2.0
109.02830	3.0
113.02309	15.7
118.84482	1.1
125.02317	38.5
126.02715	1.5
129.01823	1.4
131.03456	1.3
137.02299	2.7
143.03372	4.2
149.04433	1.2
152.01093	1.5
153.01840	3.9
155.36702	1.4
159.02934	2.9
161.04453	14.5
164.41867	1.6
167.03401	2.1
178.99695	1.3
187.25298	1.0
213.03131	1.7
217.10779	1.9
235.11845	76.9
264.04349	1.0
265.05029	3.0
319.08292	1.7
337.03583	9.3
349.15060	13.5
361.01447	1.3
367.16135	100.0
368.16702	2.3
409.17145	20.1
423.13422	1.3
449.20300	1.7
462.14410	1.1
511.13626	2.6
511.20288	19.4
512.20593	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02175	1.2
57.03316	61.8
57.04326	0.9
59.00049	1.6
59.01242	92.4
61.36072	0.9
69.03338	1.3
69.90155	0.8
71.00868	1.8
71.01241	27.7
72.54745	1.0
72.99162	1.4
73.02798	10.7
74.62715	0.8
78.27450	0.8
81.03339	1.5
83.01241	6.2
85.02805	16.1
87.00747	1.9
89.02287	6.7
91.73278	1.4
95.01253	1.4
96.95870	4.1
97.02829	2.2
99.00748	5.4
99.04378	79.4
101.02300	46.7
109.02825	4.5
113.02305	17.4
119.03387	1.1
121.02817	1.5
122.03189	1.2
125.02313	44.1
131.03358	2.5
135.04430	1.5
139.04007	1.0
143.03392	6.1
147.04399	2.4
153.01828	1.8
159.02882	4.2
159.04301	1.3
159.06563	1.4
161.02200	0.8
161.04454	18.4
163.03835	1.0
167.03445	1.3
187.03854	1.0
215.03552	1.1
217.10747	2.1
235.11850	82.6
259.02545	1.1
265.04944	1.3
267.06674	5.9
311.05603	2.9
319.50726	1.0
331.10992	1.2
334.95343	1.0
349.15115	14.8
355.04718	1.3
367.16113	100.0
368.16473	2.2
409.17148	13.4
428.75705	1.2
432.46384	1.1
449.20306	1.2
493.18460	1.7
511.13895	1.8
511.19943	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	511.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12970	0.8
54.47433	0.8
57.02260	1.1
57.03317	59.4
57.04461	1.5
58.81710	0.7
59.01243	80.8
59.02465	1.6
62.72356	0.8
66.88828	0.8
71.01239	26.3
73.02804	11.9
73.06429	1.2
75.00739	1.1
81.03313	2.6
83.01246	5.4
85.02801	14.8
87.00729	2.5
89.02304	6.2
90.83552	0.9
93.03350	1.0
95.01242	1.3
96.95872	26.1
97.02819	1.6
99.00745	5.4
99.01321	0.9
99.02027	1.3
99.04377	75.5
99.07023	1.0
101.02304	45.0
101.76268	0.8
106.49014	0.9
108.01987	1.1
109.02823	2.6
113.02304	16.6
120.99506	1.8
121.67578	0.9
125.02319	43.1
131.03371	1.0
137.02310	3.0
137.62157	0.8
139.03874	1.0
143.03369	3.9
151.03943	1.0
152.01035	1.2
153.01656	1.1
159.02866	2.8
161.04448	15.2
164.41841	1.0
165.01785	1.2
165.43799	0.9
173.02356	0.8
187.03848	1.1
188.77914	1.0
189.01855	2.0
217.10695	1.3
217.94820	0.8
226.94507	0.9
231.03033	1.0
235.11847	71.7
236.12292	1.3
241.00273	5.4
270.42267	0.9
277.12881	1.1
284.86285	1.0
309.04123	1.0
311.05618	6.9
319.08105	2.1
319.17566	2.7
320.08469	1.2
321.08911	2.5
329.06467	1.5
330.06815	1.1
331.07236	1.6
349.08438	1.5
349.15073	14.1
355.04675	6.7
367.16110	100.0
368.16550	1.9
384.41232	1.0
409.17139	11.2
422.08887	1.1
429.78723	1.0
449.20258	1.9
451.21768	1.7
511.11688	13.5
511.20285	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03034	3.3
57.03316	59.9
57.04530	1.3
57.67036	1.2
59.00086	1.8
59.01242	100.0
59.02515	1.2
61.55754	1.1
62.09622	1.1
67.68032	1.2
71.01245	24.6
73.02815	10.9
75.00735	3.0
78.95740	1.5
81.03313	2.4
83.01252	7.0
85.02813	17.6
87.00731	3.5
88.72015	1.4
89.02297	6.3
96.95882	3.8
97.02814	1.9
99.00742	6.0
99.04378	64.1
101.02307	41.5
113.02315	14.0
119.03359	2.1
125.02316	33.6
127.66035	1.7
129.05440	8.8
130.05779	2.6
131.03323	1.7
135.02888	3.7
137.02299	1.4
143.03372	4.1
159.02881	3.2
161.04463	12.8
164.41801	1.5
173.04527	1.4
189.07635	11.5
190.07956	5.5
191.05528	5.1
191.07988	3.5
220.43250	1.8
222.28052	1.6
228.10327	3.3
229.09761	1.5
229.18369	1.6
235.11842	65.5
265.03198	1.5
271.10895	3.2
303.09033	2.2
349.14917	13.7
367.16113	90.4
409.17334	19.6
409.22699	3.0
451.21762	1.9
511.19879	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2549
Annotation	Curcumanggoside
Peak:m/z	Relative Intensity
52.59536	0.6
55.01734	0.5
55.82665	0.4
56.04755	0.6
57.03318	1.1
59.01241	5.3
60.99171	6.5
61.98690	8.8
71.01243	9.7
72.99174	0.9
73.02803	8.2
80.03151	0.6
81.52294	1.4
81.52722	0.6
82.95261	1.4
83.01241	1.2
84.94985	4.9
85.02805	5.3
87.00758	0.7
88.98657	60.6
89.02295	1.4
90.94758	0.6
91.55972	0.7
93.03317	0.8
96.95883	5.2
97.12897	1.1
97.13423	0.7
98.95469	4.2
99.00729	1.7
101.02297	5.1
104.67669	0.9
104.68268	0.7
108.02050	1.2
109.02819	2.0
113.02269	3.8
116.92731	1.4
117.01803	0.9
119.04884	2.4
121.02837	2.9
123.04449	0.8
130.32777	0.7
133.06447	1.9
134.03607	1.5
135.04407	1.7
135.08038	0.9
137.02299	1.1
147.08080	0.8
147.67412	0.7
149.05965	1.4
149.09612	0.9
150.06746	16.7
152.01132	0.8
153.01865	0.7
153.09064	1.1
161.04428	1.0
163.07545	20.1
164.08315	5.1
165.09077	3.1
167.03391	0.6
176.08368	4.8
177.09100	7.7
178.09892	2.7
189.09171	0.9
231.17426	4.7
232.14665	13.4
232.16956	0.9
255.17546	3.3
257.19232	0.7
262.15759	19.6
265.04852	0.7
266.05563	0.8
267.06650	1.8
273.18634	13.2
275.20187	21.7
289.18027	1.0
303.19818	1.0
304.20670	3.2
305.21228	100.0
306.14789	0.8
306.21536	2.4
331.19083	2.7
348.19461	2.2
349.20224	91.1
350.20471	2.1
421.11490	2.7
467.26483	2.8
481.14819	0.7
489.62827	0.8
511.25479	97.0
512.25916	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	511.27
Annotation	Ganoderic acid E
Peak:m/z	Relative Intensity
53.99372	0.7
57.03321	1.6
59.01233	1.1
61.98686	0.8
63.18683	0.8
69.03303	1.4
72.99158	2.9
81.03337	4.4
83.04855	1.9
91.73393	1.8
94.22600	0.9
95.04877	1.4
95.89734	0.9
97.02789	1.4
99.04364	2.2
99.08028	4.9
101.05949	4.1
107.04856	1.9
109.06470	1.5
111.04398	1.1
116.54159	1.0
119.04923	1.0
121.02805	1.4
123.04371	5.1
123.08030	2.1
123.41487	0.9
125.05956	1.7
133.06435	2.2
135.01010	0.9
135.04417	1.2
135.08031	2.5
136.05205	1.0
137.98393	0.9
149.06000	1.3
161.05984	1.7
163.07489	5.0
165.09122	3.1
179.10689	1.8
189.09219	1.3
190.19649	1.0
203.10655	1.8
207.10173	5.4
215.10742	2.7
217.12251	13.0
219.10255	1.4
229.12305	2.2
243.10316	2.6
245.11916	2.5
247.09698	1.4
247.13383	3.4
261.11377	4.1
269.15524	1.1
273.67087	1.0
279.14008	1.5
280.86609	1.1
295.13388	1.7
297.15036	1.8
334.22229	1.3
339.19733	1.2
363.19781	3.0
381.20883	1.6
391.18939	1.1
410.43771	1.2
467.28558	1.7
481.44202	1.3
493.25955	2.6
511.27060	100.0
512.27045	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	512.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.8
59.01242	1.9
61.97242	0.9
61.98694	100.0
61.99947	2.0
62.14408	0.2
71.01242	0.4
71.14207	0.2
78.95749	0.5
85.02812	0.3
96.95877	1.8
99.04387	0.5
101.02303	0.3
113.02313	0.3
122.22599	0.2
125.02328	0.7
161.04459	0.3
167.84344	0.2
235.11911	0.4
259.05994	0.2
287.65924	0.2
367.16156	0.4
368.16467	0.5
390.51825	0.2
486.60815	0.2
488.70407	0.2
497.96371	0.2
512.20776	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	1.7
61.87989	0.3
61.98690	1.4
66.53123	0.2
67.92763	0.2
69.47814	0.2
74.00876	0.8
74.02328	71.0
74.04016	1.2
81.03336	0.4
82.18333	0.2
83.01239	0.4
85.87896	0.3
86.67330	0.3
96.95867	1.0
97.02822	0.6
103.58935	0.3
103.59583	0.3
109.02798	1.7
114.05403	0.3
123.04386	1.7
125.02313	1.1
128.03337	0.3
128.89780	0.4
129.14453	0.3
133.06419	0.5
135.04420	0.4
137.02301	1.0
138.13989	0.4
139.03885	0.7
147.04399	9.5
149.02316	0.4
151.03853	0.8
161.05878	0.3
162.05544	0.4
164.07063	0.8
175.07605	0.3
178.08682	1.0
178.23769	0.3
179.03380	0.7
183.67535	0.3
187.03903	0.6
188.04707	0.4
203.07022	0.9
205.04951	0.4
221.04567	0.6
221.08257	0.3
222.07671	100.0
222.16425	1.0
223.08003	1.3
227.07077	0.4
245.08295	1.3
289.07193	8.6
336.59695	0.3
371.32581	0.4
376.74411	0.3
398.32935	0.3
414.35361	1.3
464.90524	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97424	1.8
61.98694	100.0
62.00114	1.2
62.51929	0.2
63.24364	0.2
64.89473	0.3
67.29145	0.3
72.69866	0.2
73.67082	0.3
86.63584	0.2
131.04935	0.8
132.05682	0.3
133.06465	7.4
145.14763	0.3
156.91925	0.7
159.04457	1.1
161.05978	13.9
177.05563	0.8
189.05556	0.3
203.03401	0.5
205.04965	4.1
205.06483	0.4
217.12277	1.8
242.52075	0.3
243.10237	2.6
243.12202	0.3
274.06900	0.3
449.16074	23.8
450.16623	1.0
510.57138	0.3
511.27335	1.0
512.27484	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15728	0.1
59.01247	1.3
61.01688	0.1
61.97256	1.1
61.98692	100.0
61.99951	1.8
62.73180	0.2
71.01240	0.7
71.04908	0.1
84.21450	0.1
89.02306	0.6
92.31396	0.1
101.02296	0.4
113.02362	0.2
114.85729	0.1
115.03867	0.3
119.03371	0.2
119.57580	0.1
182.17839	0.2
418.21747	0.3
419.21970	0.5
420.22214	0.4
513.27155	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	513.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39687	0.3
51.76927	0.3
52.47755	0.3
57.65884	0.3
59.01239	0.4
59.53937	0.3
61.50299	0.3
66.90358	0.3
71.01282	0.3
83.04867	0.4
84.73666	0.3
84.94965	2.0
92.50702	0.4
93.03309	5.1
96.95855	0.8
106.58144	0.4
108.02037	1.0
109.02816	24.9
111.04382	1.8
114.46986	0.4
117.40807	0.3
119.04884	4.4
121.02822	4.7
122.03622	0.7
123.04382	1.8
124.70471	0.3
125.02331	0.4
129.03342	8.8
130.04120	1.5
133.02829	0.7
134.89426	0.3
135.04419	1.5
137.02319	9.1
145.02847	6.4
146.03627	10.8
147.04405	100.0
147.08873	1.1
148.04697	1.6
155.03404	0.5
157.02975	0.7
158.03644	1.5
159.04411	19.1
160.04811	0.5
161.02425	0.4
165.01883	0.3
166.02609	2.8
167.03308	0.7
179.03474	0.4
181.04976	12.4
182.05368	0.9
182.71011	0.4
185.05952	0.4
198.01663	0.4
203.03377	1.7
211.07651	0.9
221.06030	0.8
223.07706	0.8
229.01361	2.0
239.07182	0.8
249.05629	0.6
250.06483	0.7
251.07095	1.5
252.07899	1.0
254.05881	0.5
256.03867	0.4
260.75275	0.4
266.05984	0.4
267.06638	4.4
268.07413	1.9
269.08206	56.0
270.08545	1.9
277.05106	0.7
284.03287	0.6
293.04785	0.4
295.06107	4.8
299.05667	0.7
311.05746	0.5
312.06476	0.8
313.07193	24.1
314.07535	1.1
339.05118	8.9
345.06815	0.4
345.11282	0.8
357.06247	2.7
475.14639	1.2
513.14240	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	513.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45439	0.9
60.99159	6.0
66.14766	0.7
83.04859	1.0
85.49850	0.7
88.00238	0.7
88.98661	51.8
89.02296	9.2
93.03339	5.7
108.02032	1.5
109.02814	34.1
111.04360	1.5
119.04893	5.5
121.02830	5.1
123.04402	1.6
129.03337	8.6
130.04164	1.3
137.02280	1.9
145.02844	7.2
146.03621	9.5
147.04405	100.0
148.04689	1.5
155.03484	0.8
157.02861	6.2
158.03596	3.0
159.04416	46.8
160.04796	2.1
161.02388	0.9
165.05527	0.8
173.02345	1.3
173.04414	1.0
175.03946	1.6
185.02403	1.5
191.03395	1.1
203.01540	1.7
203.03435	29.8
221.06046	1.6
229.01398	38.9
230.01889	1.2
239.07103	2.1
245.68243	0.8
249.05495	3.5
250.06250	2.0
251.07098	1.8
251.11238	0.7
252.08017	1.1
254.05833	1.2
266.05881	1.3
267.06641	10.5
268.07333	1.3
269.08212	48.7
270.08569	1.9
277.05090	7.0
278.05603	1.0
293.04630	2.2
295.06100	11.2
313.07230	18.3
335.80957	0.8
339.05103	28.7
340.05469	1.0
357.06042	1.3
359.07498	2.0
420.18219	0.8
423.12936	1.7
469.11246	3.0
513.10236	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	513.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33874	1.1
59.01245	2.6
64.76391	1.5
72.99156	2.2
74.24041	1.3
85.02917	1.6
88.98651	7.9
89.02294	3.8
89.06922	1.4
93.03329	8.3
96.95849	5.9
105.03242	1.5
108.02039	2.6
109.02819	20.6
111.04372	1.9
111.71760	1.5
113.02309	2.2
117.03328	1.7
121.02831	14.5
123.04391	1.6
125.02308	4.5
129.03368	2.6
131.54681	1.5
133.02841	13.7
134.03610	4.3
135.04395	55.4
137.02319	6.2
145.02808	5.8
146.03622	3.5
147.00764	1.6
147.04413	18.2
151.00200	1.7
152.01021	2.6
153.01862	2.4
157.02933	3.5
159.04399	13.8
161.02333	31.1
163.03941	3.1
165.05348	1.5
167.03401	4.4
173.02371	3.2
173.04503	1.6
174.03171	2.9
175.03810	3.6
176.63982	1.8
177.01907	4.5
177.77129	1.6
178.02647	3.1
179.03406	59.7
185.02348	2.5
197.06105	1.8
203.03476	5.0
208.50346	1.6
221.05966	3.3
225.05629	2.0
229.01381	24.9
239.07071	6.6
249.05540	4.9
255.07040	1.8
265.05045	2.0
266.05923	2.8
267.06674	16.0
269.08203	12.3
277.04999	9.9
283.05960	1.8
284.10068	1.9
293.04523	3.8
295.06366	9.7
311.05634	4.0
312.05994	1.9
313.07108	5.6
321.84293	1.7
335.07742	23.2
339.05124	100.0
340.05472	2.5
346.07574	2.1
370.38657	1.8
383.13474	2.8
409.01553	1.6
513.08594	7.0
513.20447	2.5
513.27655	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	513.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86986	0.5
59.01234	1.5
60.21436	0.6
63.70665	0.7
68.99609	1.0
70.18047	0.6
71.01245	4.0
73.02804	1.1
85.02785	1.1
93.03322	4.4
96.95872	2.0
109.02811	22.5
111.04403	1.9
113.66331	0.8
115.07513	1.2
119.04896	2.8
120.84039	0.7
121.02825	12.3
123.04370	1.4
129.03316	2.4
131.04912	0.9
131.07007	2.5
133.02893	1.0
135.04399	1.3
137.02354	1.7
145.02837	8.4
146.03615	5.1
147.04404	36.5
157.02863	6.3
158.03619	2.3
159.04417	20.0
161.02412	0.9
163.03914	1.3
167.03526	0.9
173.02368	1.9
174.03127	1.8
174.85526	0.8
175.03914	2.7
179.03419	1.1
182.24014	0.7
185.02411	3.8
185.08099	2.1
187.03990	1.1
195.08125	1.5
197.06015	1.8
203.03415	7.2
211.04045	0.9
211.07552	2.2
220.52353	0.9
221.06027	3.2
222.06909	1.1
223.07611	3.2
224.04677	1.6
225.05508	1.4
229.01405	37.2
230.02141	1.4
237.05629	1.3
238.06329	2.0
239.07098	4.5
248.04758	1.0
249.05568	7.3
250.06378	4.0
251.07132	3.1
254.05980	0.8
265.05225	2.2
266.05881	2.6
267.06659	25.0
269.08215	31.3
270.08722	1.6
277.05060	11.4
278.05865	1.5
293.04541	5.8
294.05313	2.7
295.06100	36.8
296.06396	1.1
311.05722	1.3
313.07236	11.2
339.05118	100.0
340.05670	3.9
340.09445	0.8
357.06259	4.4
421.17126	1.8
469.11414	1.1
491.82788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45441	0.7
55.45035	0.3
65.03843	0.4
69.10107	0.5
71.01209	0.8
75.09502	0.4
76.14101	0.4
91.01707	0.6
91.05363	0.5
91.73357	0.5
92.50695	0.5
93.03313	3.1
101.03803	0.6
108.02034	1.2
109.02812	34.5
111.04385	1.5
117.03313	0.8
119.04887	4.4
121.02839	4.4
122.03631	0.6
123.04392	2.5
126.85315	0.4
129.03339	8.5
130.04115	1.3
131.04874	1.1
131.06999	0.5
133.02855	0.7
135.04405	1.3
137.02304	1.5
141.46764	0.4
145.02826	8.4
146.03612	11.6
146.99808	1.1
147.04401	100.0
148.04768	1.1
155.03407	0.7
157.02840	3.5
158.03619	2.8
159.04411	35.5
161.02350	0.6
163.03914	0.7
173.02431	0.7
175.03946	1.5
183.56999	0.4
185.02364	1.8
197.05954	0.9
201.01927	0.7
203.03433	14.1
209.02141	0.5
211.07584	0.5
220.05289	0.6
221.06050	1.4
223.07567	1.1
224.04639	1.1
225.05504	0.8
229.01395	23.3
230.02107	0.6
237.05466	0.9
239.07175	1.9
249.05490	2.2
250.06332	1.6
251.07155	1.5
252.04189	0.6
252.07858	0.9
253.05115	1.2
254.05830	0.9
265.05075	1.0
266.05936	1.3
267.06638	11.4
268.07562	0.9
269.08203	57.0
270.08621	1.8
277.05066	4.5
293.04605	1.8
294.05243	1.1
295.06137	8.2
312.06552	0.6
313.07181	27.6
339.05112	35.5
340.05374	0.7
357.06067	2.6
359.08237	0.8
361.33960	0.6
469.11371	1.7
513.10474	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	513.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22638	0.6
61.98672	0.6
74.32828	0.5
86.86983	1.2
86.87417	1.1
88.98618	2.3
92.93468	0.7
96.95872	0.9
103.34240	0.6
119.74358	0.6
121.90251	0.7
148.00955	0.7
197.05846	0.7
211.03949	0.8
224.04703	1.1
238.06290	0.9
239.07094	1.0
241.08548	0.8
253.08560	1.0
266.05930	1.2
267.06805	1.0
269.08197	26.4
270.08542	1.2
280.03793	1.0
281.04834	1.5
281.08200	3.8
284.10675	1.6
294.05426	0.9
296.06769	1.6
297.07684	32.5
312.10013	6.0
325.07202	22.4
339.91809	1.0
340.09531	94.2
341.09866	2.6
355.11899	100.0
356.12186	3.5
396.33475	0.9
453.08707	1.0
513.10760	12.7
513.17596	0.8
513.26917	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26343	0.2
52.66882	0.2
57.43905	0.2
59.01232	1.1
60.99167	11.8
72.63896	0.3
72.99165	1.6
75.00723	1.4
85.02821	0.3
87.00715	0.4
88.96497	1.6
88.98656	100.0
89.01128	0.9
89.13139	0.2
89.99023	0.6
97.02812	0.4
97.19936	0.2
104.03434	0.5
104.99054	0.5
105.01792	22.6
107.15038	0.2
113.02303	2.5
122.90927	0.2
125.02318	3.1
141.01852	0.3
144.94223	0.2
164.58734	0.3
232.11084	0.3
351.14267	0.3
367.13992	5.6
368.14413	0.6
369.14496	0.4
382.62149	0.3
395.13467	0.4
423.12750	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02093	0.3
58.70520	0.2
59.01230	0.3
60.99169	12.3
72.99213	0.3
73.45587	0.3
75.83773	0.2
78.26849	0.3
88.96217	1.0
88.98660	100.0
89.00822	1.6
89.98959	0.3
108.82824	0.4
134.76633	0.3
173.67702	0.3
197.47697	0.3
215.14560	0.3
243.13899	0.5
287.12900	1.1
320.73438	0.3
349.13089	0.7
367.13977	3.3
368.14377	0.4
418.78348	0.3
423.13013	1.2
474.88608	0.3
510.03641	0.3
513.02698	0.8
513.18964	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28746	0.2
57.03291	0.3
59.01235	1.0
69.03314	0.3
71.01229	0.9
71.04857	0.2
72.99162	1.4
73.02814	0.2
80.67502	0.2
81.03310	0.2
83.01234	0.5
83.04885	0.5
83.71301	0.2
85.02810	6.0
85.06433	1.0
87.00774	1.1
87.04353	0.3
89.02294	0.2
93.03302	1.8
96.95850	0.4
99.04388	0.6
101.02314	1.3
101.02992	0.3
101.05943	13.1
109.02801	0.6
111.04362	0.9
115.03882	4.7
125.02293	1.0
127.03848	1.6
129.05443	4.9
137.02394	0.3
139.03902	0.4
145.04942	1.6
147.06593	0.2
151.00238	1.1
153.01825	9.2
167.03371	1.9
169.29024	0.2
171.02899	0.4
173.04457	1.4
190.98274	0.9
191.05539	100.0
192.05873	1.0
194.28340	0.2
209.06145	0.3
287.41254	0.3
317.07892	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83409	0.3
60.99168	11.4
61.01965	0.4
61.50317	0.4
67.08092	0.5
69.80843	0.4
71.01241	0.4
71.53205	0.5
73.02791	1.2
79.54562	0.4
81.03318	0.7
87.00746	1.6
88.00258	1.4
88.96225	1.1
88.98658	84.6
89.02293	10.0
93.03319	6.3
101.03868	0.8
103.05391	0.5
108.02032	1.8
109.02813	36.9
109.13546	0.4
111.04382	2.0
117.03328	0.7
119.04896	4.9
120.80541	0.4
121.02800	5.6
122.03636	0.6
123.04385	1.9
129.03329	10.7
130.04126	1.4
131.04898	1.1
132.39873	0.5
133.02866	0.5
135.04390	1.5
137.02306	3.0
144.76057	0.5
145.02832	6.9
146.03627	8.9
147.04401	100.0
148.04712	1.8
155.03406	0.8
157.02824	7.2
157.50328	0.5
158.03610	3.4
159.04410	48.2
160.04810	1.1
161.02338	1.7
163.03844	0.7
163.11223	1.2
173.02348	1.4
173.04433	0.8
174.03156	0.6
175.03925	1.9
177.05525	0.5
185.02393	1.7
186.03140	0.7
187.04008	0.6
187.82758	0.5
189.36714	0.5
191.03476	0.9
193.06520	0.7
197.06047	0.7
203.03429	31.8
204.03775	0.6
211.07622	0.9
221.06091	1.8
222.06833	0.6
223.07607	1.3
225.05609	0.8
229.01387	37.8
230.01823	1.4
232.05241	0.6
238.06323	0.8
239.07095	1.7
247.02554	1.3
248.04694	1.1
249.05522	3.0
250.06300	1.4
251.07098	1.5
252.07919	1.0
253.04996	1.1
254.05855	1.4
265.05139	1.1
266.05798	1.4
267.06628	12.1
268.07230	1.5
269.08197	48.7
270.08630	1.4
277.05023	5.6
278.05820	1.4
287.09195	1.0
293.04596	2.9
294.05350	1.2
295.06085	10.9
311.05591	0.5
313.07181	16.1
313.10861	0.8
329.63303	0.5
339.05090	30.8
340.05386	1.3
357.06305	1.3
359.07764	1.1
393.11847	0.7
423.13016	3.6
424.13358	0.6
469.11212	2.3
513.10339	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	513.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	4.5
57.03300	3.6
59.01245	3.7
61.98695	13.5
63.20181	2.0
63.74720	2.4
65.03829	3.3
68.93324	2.0
70.96565	2.1
71.04874	30.2
76.91498	2.2
78.95751	6.5
83.04887	3.7
97.06445	7.2
99.08024	2.7
104.50648	2.6
107.04865	7.6
109.06456	7.5
119.04896	5.0
121.06445	3.1
123.08034	10.6
135.07990	5.1
137.09669	3.8
144.05724	8.9
146.49080	2.8
147.08076	10.2
151.07536	6.0
152.99484	15.8
159.59721	2.5
160.05154	3.0
161.05997	13.5
163.07495	5.9
165.09140	28.6
166.10922	2.9
197.09694	4.5
199.11206	3.4
207.06519	4.6
209.08057	8.2
209.09700	22.5
215.10886	3.6
217.12291	100.0
217.14409	5.1
223.64809	2.7
243.10289	4.8
255.13950	3.0
261.11368	10.2
281.15485	90.5
293.15466	5.3
294.16074	4.6
365.21213	67.7
365.25455	4.8
366.21240	3.1
409.20377	11.4
431.22061	3.0
477.26425	4.5
504.25836	3.7
513.29010	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	513.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	4.3
57.03308	2.1
57.67045	2.5
59.01228	4.6
61.98703	3.3
62.34941	2.0
70.55576	1.9
76.49884	2.2
81.61028	2.1
83.04868	5.5
95.04887	6.7
96.95911	2.5
97.06444	2.9
101.05914	4.2
107.04895	3.1
109.06457	6.5
123.08058	11.1
127.72677	2.3
137.09612	5.8
138.36136	2.4
139.07405	2.3
144.05731	4.3
147.08029	12.1
150.89684	2.7
151.00249	3.0
152.99434	5.8
161.05997	9.1
165.09088	37.3
190.42404	2.6
193.89433	2.6
199.11215	3.5
209.08157	31.6
217.12292	100.0
243.10213	15.9
247.13391	2.5
261.11276	42.6
277.21808	8.9
325.13937	3.2
365.21051	3.5
409.20291	6.1
432.90521	2.8
477.26627	5.2
486.13501	2.9
512.70447	2.8
513.28864	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	513.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	4.3
57.03308	2.1
57.67045	2.5
59.01228	4.6
61.98703	3.3
62.34941	2.0
70.55576	1.9
76.49884	2.2
81.61028	2.1
83.04868	5.5
95.04887	6.7
96.95911	2.5
97.06444	2.9
101.05914	4.2
107.04895	3.1
109.06457	6.5
123.08058	11.1
127.72677	2.3
137.09612	5.8
138.36136	2.4
139.07405	2.3
144.05731	4.3
147.08029	12.1
150.89684	2.7
151.00249	3.0
152.99434	5.8
161.05997	9.1
165.09088	37.3
190.42404	2.6
193.89433	2.6
199.11215	3.5
209.08157	31.6
217.12292	100.0
243.10213	15.9
247.13391	2.5
261.11276	42.6
277.21808	8.9
325.13937	3.2
365.21051	3.5
409.20291	6.1
432.90521	2.8
477.26627	5.2
486.13501	2.9
512.70447	2.8
513.28864	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	513.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	6.5
59.01239	7.3
61.98689	8.6
66.10978	3.0
71.04865	5.5
83.04891	7.0
86.56647	4.1
87.04353	3.8
91.73252	6.0
95.04875	15.3
97.06467	3.7
99.00742	4.4
105.40668	4.2
107.04882	8.5
109.06429	14.1
123.04384	4.9
123.08038	20.1
133.06467	7.2
135.04407	5.1
136.64394	3.9
137.09630	12.0
147.08029	27.0
149.05986	5.7
161.05984	16.0
163.07622	8.4
165.09108	66.3
201.05533	7.8
207.06525	5.7
207.10197	7.3
209.08130	72.3
209.09702	4.2
217.12282	100.0
227.20108	6.9
243.10197	32.5
261.11362	29.9
281.15665	18.9
323.12640	5.9
363.31833	4.5
365.21225	52.1
386.55930	5.0
409.20309	24.3
453.19452	13.7
491.95737	4.8
513.28894	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19699	0.8
59.00097	0.8
59.01245	43.3
61.98689	3.5
69.03336	0.8
69.26894	0.7
71.01237	14.7
73.02807	33.1
78.95778	4.7
83.01245	7.2
83.69444	0.9
85.02812	3.6
87.00790	2.1
88.98666	0.9
89.02287	5.6
101.02304	21.7
105.01794	2.6
112.98669	1.6
113.02324	5.9
114.20502	0.9
117.03335	13.5
118.03655	2.9
118.04305	1.1
118.30923	1.3
118.31668	1.2
119.03423	2.0
119.04909	20.8
120.05219	5.2
121.02826	5.1
122.03156	0.9
123.04392	1.4
125.02301	1.2
133.02788	1.3
143.03366	1.0
145.02841	38.1
145.03976	2.1
146.03146	12.0
149.09599	1.0
151.11176	1.0
161.04434	2.1
162.03140	2.2
163.03891	10.2
164.04262	2.5
171.00598	3.5
195.10222	0.9
203.18071	1.3
247.16998	10.6
249.18596	1.7
251.10709	1.2
265.18112	16.0
307.22711	2.1
330.93604	1.0
409.22391	7.7
427.23392	14.6
469.24460	82.0
470.24823	3.4
476.30219	38.7
477.30518	100.0
478.31393	4.0
513.26953	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	513.27
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17407	0.5
55.01756	1.0
59.00967	1.0
59.01245	13.0
61.98694	2.2
65.90605	0.6
71.01242	7.2
72.99180	0.9
73.02819	3.3
78.95776	0.7
83.01246	2.6
85.02799	3.4
85.99940	1.3
87.00742	1.5
87.25279	0.6
88.98650	0.5
89.02285	1.3
89.98753	0.5
95.01224	0.7
96.95844	1.6
99.00713	0.9
101.02306	6.8
105.01831	1.2
107.00230	0.6
111.00775	1.6
112.98627	0.6
113.02325	2.5
117.03323	4.4
119.04900	7.3
120.05234	1.5
121.02853	1.7
145.02847	11.0
146.03192	3.1
163.03894	3.8
164.04271	0.6
165.82790	0.7
219.13814	2.2
285.18671	1.4
289.21683	1.0
305.21301	4.7
307.22815	24.1
346.90903	0.6
351.22055	0.7
393.13666	2.8
458.24036	0.6
469.28040	2.7
476.30280	4.7
477.25284	1.1
477.30548	24.6
478.24881	0.5
478.31644	12.1
513.27069	100.0
514.27478	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	513.2704
Annotation	Tricalysioside H
Peak:m/z	Relative Intensity
55.01742	0.9
59.01241	14.0
59.02388	0.3
61.98685	0.9
65.58199	0.3
71.00872	0.5
71.01237	6.2
72.99155	1.3
73.02811	3.4
75.00723	0.6
83.01254	2.7
85.02806	4.5
85.99962	0.7
87.00729	0.9
88.98650	0.4
89.02322	0.9
95.01231	0.5
95.24413	0.3
95.58714	0.3
96.95872	6.6
97.65742	0.5
97.66257	0.3
99.00745	0.8
101.02297	8.0
105.01793	13.5
111.00734	1.5
113.02319	1.7
113.09544	0.5
117.03266	0.5
118.98015	0.4
119.03343	0.4
119.04893	0.9
121.02790	0.5
125.02333	0.4
129.01820	0.4
135.09499	0.5
137.09535	0.3
141.01883	0.4
145.02824	1.4
146.08121	0.4
163.03835	0.5
163.11208	1.2
171.10120	0.5
191.10709	1.5
245.15392	0.9
266.18936	0.3
287.20016	0.4
289.21759	1.0
291.19748	0.9
305.21219	5.0
306.98431	0.4
307.22794	28.6
308.23047	0.9
309.20828	0.5
316.83215	0.4
333.13333	0.6
351.14597	2.0
351.21683	1.0
407.13489	0.5
469.27921	2.3
477.30734	1.1
478.31808	2.8
513.27045	100.0
514.27368	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	1.6
69.03324	1.2
71.01224	1.7
71.39877	0.9
73.02798	4.2
81.03293	1.4
83.04879	1.5
85.02805	3.0
93.03290	1.1
97.02824	1.7
97.06417	1.6
99.08018	3.1
101.05961	2.8
107.04890	2.2
121.02789	1.2
123.08028	6.4
125.05951	1.1
127.07532	1.7
133.06479	1.1
149.09615	2.1
161.05923	1.0
171.04279	1.1
175.11417	1.0
189.12798	1.4
213.12680	1.2
215.10742	9.1
217.12270	2.6
219.14073	1.0
229.12244	1.9
231.13922	9.7
233.11800	5.7
235.13332	3.5
243.10245	4.2
245.11827	17.4
247.13383	5.2
259.13406	4.6
261.11310	2.0
267.16049	4.1
281.15369	1.7
283.13159	1.2
288.09592	1.1
417.39539	1.0
472.69235	1.1
495.27811	1.0
513.28613	100.0
514.29102	3.6
529.32330	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74986	0.8
57.03320	1.8
57.93139	0.9
59.01251	1.1
69.03309	7.6
71.01227	2.3
73.02800	2.2
85.02788	0.9
93.03324	1.8
95.14988	0.9
109.02814	1.6
115.92204	1.0
117.06962	1.0
117.91532	0.9
123.04399	1.6
123.08015	3.8
127.03197	0.9
143.54816	1.1
145.06546	1.6
146.92230	1.0
157.06488	4.2
163.07503	1.6
167.03334	1.3
171.04437	3.7
172.05232	3.0
173.69078	1.1
185.05978	13.7
186.06696	5.5
201.12737	1.2
215.10750	6.7
217.12311	14.6
229.12305	100.0
230.12756	2.8
233.11807	22.8
235.13255	1.5
245.11880	1.6
246.08997	2.4
247.13373	15.5
251.12881	1.6
261.03403	1.3
265.14539	6.6
275.09207	2.3
283.15536	34.6
339.20139	2.4
389.19382	1.2
477.26486	3.9
513.28394	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.4
57.03311	0.5
58.82000	0.2
59.00971	0.3
59.01244	5.6
61.98696	1.6
71.01239	4.0
73.02789	0.7
77.33394	0.2
78.95758	2.9
82.02252	0.2
83.01244	0.6
83.04900	0.4
85.02805	0.9
87.00739	0.4
89.02293	3.6
95.04871	0.6
96.96777	0.3
97.06445	0.3
99.00695	0.5
99.07985	0.6
100.94335	0.3
101.02300	4.1
107.04876	0.3
109.02840	0.2
109.06483	0.4
113.02316	1.8
119.03358	0.8
121.06498	0.4
123.08030	1.3
127.07535	0.3
137.09569	0.6
143.03285	0.3
147.08051	1.1
152.99466	4.6
157.04930	0.3
161.04442	1.6
161.05978	0.9
165.09123	4.3
179.05518	0.6
209.08136	3.7
217.12280	7.7
233.22595	0.4
235.08203	1.0
243.10216	1.4
253.09279	13.5
256.08813	0.3
259.20831	0.4
261.11316	3.6
277.21732	100.0
278.22125	2.1
431.22073	1.3
453.19125	0.3
470.60541	0.2
513.28241	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11625	0.6
57.03336	0.6
59.01254	4.4
59.42157	0.7
71.01232	3.4
72.90031	0.7
73.02809	1.0
78.95763	2.4
81.77997	0.7
84.71929	0.7
85.02814	1.0
89.02315	3.2
91.73317	1.0
101.02307	3.6
113.02298	1.8
119.03376	1.0
124.17413	0.8
125.29060	0.7
152.99443	3.1
156.35675	0.8
161.04451	1.6
187.96034	0.8
201.24573	0.9
253.09270	14.9
274.62796	0.9
277.21735	100.0
278.22049	2.5
295.77844	0.8
320.19650	0.8
363.34183	0.8
513.28088	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03098	0.3
60.34272	0.3
61.97513	1.5
61.98692	100.0
62.00054	1.6
66.87070	0.3
76.85001	0.3
77.46708	0.3
103.63317	0.3
196.17661	0.4
202.52681	0.3
217.12350	0.4
264.63870	0.3
280.43588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.3
57.61882	0.4
59.01237	0.4
59.79073	0.3
61.97293	1.5
61.98694	100.0
61.99904	1.7
74.10938	0.3
91.72762	0.5
92.32836	0.4
101.05925	0.5
134.92734	0.4
165.09096	0.5
245.11992	0.6
390.12936	0.4
496.28113	0.7
514.29187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80727	0.2
52.98859	0.3
58.99139	0.3
59.01238	0.8
60.31497	0.6
60.31765	0.4
61.98693	0.8
67.23647	0.3
81.62317	0.3
83.64912	0.2
84.33148	0.3
117.03328	11.5
118.04116	3.3
119.04891	17.6
121.02825	4.4
123.04377	1.0
133.02802	1.2
140.45357	0.3
144.98357	0.4
145.02835	31.4
145.07661	0.4
146.03151	0.6
146.04420	0.3
162.03094	2.2
163.03912	10.0
295.34460	0.3
350.16245	0.3
351.55386	0.3
404.17987	0.3
458.25275	0.4
476.30164	4.8
478.31741	100.0
479.32135	3.1
514.27429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56793	1.4
56.35551	1.4
56.65644	1.3
58.27255	1.5
59.01222	1.5
63.25395	1.2
78.07925	1.2
80.16225	1.2
81.03319	1.3
96.95870	8.2
108.02031	4.1
109.02815	85.2
118.97369	1.3
125.02354	1.6
153.01834	23.2
178.04166	1.7
179.03395	1.7
197.02484	2.5
205.02798	1.9
206.03687	2.6
221.02437	3.0
225.01904	6.5
226.02856	1.7
234.03259	3.6
236.88084	1.8
237.01923	2.0
250.02733	6.5
253.01433	14.6
261.01981	6.6
262.02759	1.7
265.01508	2.9
266.02332	3.0
277.01401	6.8
278.02167	3.1
281.00894	7.0
289.01505	3.6
290.02313	9.0
291.02951	2.7
293.00897	3.9
305.01041	2.2
306.01651	13.7
307.02469	3.4
309.00436	27.3
317.00879	4.9
318.01523	2.2
333.00430	23.9
334.01413	2.8
335.02063	4.0
360.99939	64.2
362.00638	5.8
363.01480	6.0
443.04095	2.5
453.02441	4.0
471.03601	100.0
472.04065	4.1
515.02582	59.5
515.28400	2.8
516.03088	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	515.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.7
58.00449	0.7
59.01242	15.1
59.01523	1.5
59.02269	1.5
66.47379	0.7
68.03246	0.7
69.03311	1.3
71.01234	12.5
72.22038	0.7
73.02805	18.7
75.25400	0.7
81.03300	1.5
83.04882	7.9
85.02797	5.6
89.02295	20.6
93.03313	48.6
94.67112	0.7
99.00749	6.3
99.04374	5.6
101.02313	8.8
111.04379	22.0
113.02278	5.9
116.91251	0.7
119.03358	7.4
121.27058	0.8
122.25179	0.7
129.01787	2.9
129.05461	0.9
131.03372	1.7
137.02319	17.1
142.99614	1.0
143.03368	5.0
149.04448	1.2
155.03386	11.9
161.04446	2.3
165.27330	0.9
173.04457	100.0
174.36076	0.8
179.05539	13.2
337.27219	0.9
341.10904	74.9
371.03116	0.8
372.90439	1.0
413.94485	0.9
415.09900	1.0
515.16211	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	515.179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55061	0.1
53.67418	0.1
59.01242	1.6
64.51529	0.1
64.80486	0.1
69.73430	0.1
71.01231	0.6
71.04845	0.2
73.02821	0.2
78.95761	3.6
79.95590	2.0
85.02806	0.2
89.02271	0.7
91.73368	0.3
96.93099	0.9
96.95871	100.0
96.96770	8.6
96.98342	1.4
97.92992	0.2
101.02295	0.6
113.02324	0.2
115.03870	0.7
117.48651	0.1
118.00286	0.1
119.03378	0.2
124.88696	0.1
143.03465	0.2
145.33063	0.2
148.45612	0.2
161.04427	0.2
163.12720	0.2
213.00780	0.2
237.15030	0.4
255.16246	0.3
289.78595	0.1
298.22260	0.1
342.41803	0.2
417.21292	0.8
515.18079	0.6
515.28546	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50516	0.1
53.12289	0.1
54.63732	0.1
57.94841	0.1
59.01241	0.9
61.98689	0.1
71.01223	0.2
78.95766	3.0
79.95589	1.7
89.02314	0.2
89.14361	0.1
96.93575	1.2
96.95872	100.0
96.96768	7.0
96.98524	1.3
103.28727	0.1
132.98055	0.1
133.04922	0.1
308.22482	0.1
309.59860	0.1
438.60300	0.1
451.86508	0.1
515.28925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2863
Annotation	Tricalysioside L
Peak:m/z	Relative Intensity
50.11684	1.2
56.36416	1.2
59.00001	1.4
59.01241	48.7
61.98692	4.1
63.64829	1.1
65.58043	1.2
71.00937	1.6
71.01242	17.8
73.02805	16.4
78.95763	2.5
83.01226	3.6
85.02786	4.4
87.00714	4.6
89.02285	6.1
96.95837	3.6
99.00704	1.4
101.02299	19.0
101.75442	1.5
113.02290	6.6
117.03313	3.5
119.03283	1.8
119.04875	4.0
142.73213	1.3
143.03339	1.7
145.02823	17.9
145.78046	1.4
146.03127	3.9
153.12729	2.9
157.08609	16.4
157.82408	1.4
161.04449	1.9
163.03798	3.0
171.10114	4.4
173.04488	1.7
185.11742	4.1
187.09653	4.0
192.95770	1.7
208.60527	1.9
212.47757	1.4
244.86874	1.5
293.21234	38.9
293.42813	1.7
311.22360	9.9
313.09946	1.9
319.45798	1.7
368.28152	1.8
369.28052	1.9
455.20966	2.3
455.26529	15.6
473.27597	29.8
477.89044	1.7
514.31427	2.0
515.28571	100.0
516.28943	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	515.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52079	0.3
51.43348	0.2
53.13586	0.2
54.83970	0.2
55.01733	0.2
55.55182	0.2
57.03280	0.3
59.01245	4.3
71.01241	3.4
73.02795	1.1
74.39527	0.2
75.00729	0.4
78.80071	0.3
78.95760	6.0
85.02816	1.0
87.00757	0.7
89.02293	2.9
96.96822	0.8
98.59008	0.3
99.08005	0.3
101.02305	3.4
102.04111	0.3
113.02293	1.4
117.42834	0.3
119.03362	0.7
119.59167	0.3
121.54016	0.3
123.04371	0.3
128.43846	0.3
152.99477	12.1
155.48659	0.3
161.04445	1.4
163.07549	1.0
171.00484	0.6
179.05534	0.6
211.51804	0.3
235.08156	0.8
253.09299	12.2
254.09579	0.4
261.22299	0.4
272.54932	0.3
276.59641	0.4
279.23303	100.0
280.23645	3.8
433.23654	3.5
479.28632	1.4
515.29694	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56941	0.7
58.39467	0.8
59.01229	4.0
71.01234	2.8
73.02779	1.3
78.95753	5.4
83.01240	1.2
89.02296	2.2
98.60695	0.9
101.02311	3.9
152.99472	10.8
155.65242	0.8
161.04411	1.2
251.86986	0.9
253.09250	9.9
279.23300	100.0
280.23642	2.6
433.23663	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	516.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42289	0.1
55.15741	0.1
59.01245	0.6
59.89869	0.1
61.97430	1.8
61.98695	100.0
62.00119	1.3
69.48981	0.1
71.01228	0.2
107.04935	0.2
155.03455	0.2
169.04936	0.3
184.10005	0.2
231.13853	0.3
287.12897	0.4
317.13846	0.3
335.15146	0.2
363.14743	0.4
375.10605	0.3
393.12143	0.7
407.13385	0.6
409.23465	0.2
435.13126	1.4
453.14047	2.3
455.12622	0.2
539.03870	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	516.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46346	0.9
58.02836	8.4
59.01235	0.9
61.98681	0.8
66.03334	1.0
66.95846	0.7
70.02848	1.0
71.01244	1.5
74.02333	16.2
78.95788	1.5
81.04433	0.9
82.02839	2.6
82.95258	0.8
84.04410	0.9
86.02336	7.2
86.05966	2.0
86.98981	1.0
87.05495	6.0
90.00064	1.0
96.95891	1.4
97.03930	2.4
99.00764	1.6
99.05495	20.2
99.06124	1.3
101.07065	3.1
102.05455	3.4
107.06042	1.2
109.03948	2.8
111.05525	2.1
112.03908	2.3
116.01627	1.2
120.01131	0.9
123.05495	2.1
124.03927	1.1
124.07505	1.1
125.03461	2.2
126.04214	0.9
127.04175	0.8
127.05031	3.4
128.03404	48.0
135.05550	4.6
137.02322	1.1
137.07094	1.6
141.06563	4.6
143.04507	69.0
143.08850	1.0
145.06076	2.9
146.04500	5.6
149.07088	1.2
153.06580	5.8
155.08142	1.2
160.00650	16.9
166.04951	1.2
166.09755	2.4
167.04527	5.0
167.08154	3.0
171.07706	1.7
173.04485	1.1
175.02434	1.1
177.03294	5.1
179.04552	15.0
181.06123	2.7
185.05647	1.5
192.07794	1.0
197.05640	2.2
198.08742	1.4
209.08115	1.2
210.08801	15.7
211.13480	1.0
224.75388	0.9
225.05946	1.6
226.07172	1.8
242.07849	1.9
243.06938	5.8
254.07817	23.3
272.08887	39.2
288.06586	9.6
289.07275	1.5
306.07669	100.0
466.60373	0.9
498.15479	3.0
516.16504	13.8
516.27875	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46336	1.5
50.46530	0.7
58.02837	6.2
59.01238	4.7
59.20088	0.7
61.98682	1.0
66.03342	1.3
71.01231	1.6
72.00775	1.4
73.02805	0.9
74.02330	14.4
78.95747	0.7
81.04430	1.8
82.02830	2.0
82.95264	1.9
84.04413	0.9
85.02777	1.2
86.02335	7.0
86.05956	2.5
86.98968	1.2
87.00721	0.7
87.05502	4.8
89.02313	1.0
90.00055	1.1
96.95855	2.3
97.03920	1.6
98.06001	0.7
99.00746	1.4
99.05492	16.1
101.02319	1.8
101.07049	3.2
102.05460	2.8
107.06021	1.1
109.03957	1.9
111.05492	1.2
112.03899	1.7
113.07027	1.0
116.01592	1.7
121.94957	0.8
123.05482	1.6
125.03467	1.8
127.05018	2.5
128.03403	46.3
131.04550	0.9
135.05518	3.6
137.07085	1.3
139.08597	0.9
141.06567	3.7
143.04506	64.1
145.06059	2.7
146.04482	4.8
150.03122	1.6
153.06573	4.7
155.08217	0.9
160.00638	15.3
165.05452	2.6
166.09772	2.6
167.04517	4.6
167.08125	2.4
170.03250	1.0
171.03983	0.8
177.03355	5.2
179.04541	12.3
181.06131	2.3
185.05586	2.2
186.12199	0.9
192.07715	1.0
196.06972	1.1
197.05704	1.7
198.08890	1.2
210.08812	11.8
243.06885	5.6
254.07816	21.5
256.07361	1.1
271.09720	1.3
272.08878	33.2
273.09399	1.0
288.06543	7.6
306.07663	100.0
382.41281	0.9
387.12473	1.3
420.15372	1.0
468.17526	0.9
498.15317	2.1
516.16278	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	516.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	0.2
61.42809	0.2
61.97430	2.0
61.98693	100.0
62.00128	1.1
71.07047	0.2
79.53216	0.2
91.72754	0.2
92.31886	0.2
104.51118	0.2
114.30598	0.2
165.09325	0.2
182.21199	0.2
217.12276	0.3
241.21747	0.4
484.63940	0.2
494.22467	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	516.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95514	0.2
53.91153	0.2
57.92633	0.2
60.24014	0.2
61.97275	1.3
61.98693	100.0
61.99969	1.8
78.95798	0.2
91.72670	0.3
98.93631	0.2
194.18092	0.2
200.91306	0.2
217.12215	0.3
241.21677	1.6
266.39105	0.3
466.29794	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74837	1.7
53.37965	1.5
55.34983	1.5
57.03310	5.1
59.01241	4.0
65.00179	3.0
71.01241	3.3
72.99132	2.2
73.02792	1.8
75.70021	1.9
83.01242	7.4
85.02790	4.1
85.10727	2.4
87.00708	4.6
93.03293	5.2
95.01241	2.0
96.95870	9.8
101.02271	2.4
102.19369	2.1
107.01240	7.5
109.02817	5.3
111.00716	2.5
115.00250	5.5
116.13745	2.3
121.02837	6.1
125.02316	54.2
127.00295	3.8
128.03438	2.4
135.02826	7.1
137.02339	12.1
139.00246	2.1
139.03854	6.9
147.00793	5.0
149.02325	4.7
149.12227	2.3
151.00246	53.0
152.00955	2.3
153.01819	25.7
163.00278	4.7
165.01828	33.1
167.03380	6.0
169.01474	2.5
171.02882	3.3
173.04498	6.5
175.00269	41.2
175.02380	10.2
175.05969	2.8
177.01811	17.7
178.99777	21.9
181.01366	12.0
189.00301	3.3
191.03424	11.4
191.05191	2.3
193.01344	100.0
194.01732	2.9
202.99664	3.8
215.03424	8.1
217.01501	3.5
233.04620	3.8
239.03265	2.4
257.04517	7.1
283.02454	11.7
291.05249	3.5
301.03589	28.2
303.05038	2.7
303.54114	2.5
319.04590	96.1
326.57132	2.6
327.07275	13.5
341.05087	18.5
343.04187	10.9
403.21909	2.5
426.74374	2.6
463.08832	21.2
481.09540	12.3
517.22357	3.2
517.91711	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	517.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	2.0
59.84222	0.4
65.13923	0.4
67.01739	0.6
70.35981	0.4
71.01214	1.1
73.02814	0.5
85.02809	7.8
87.00719	1.4
91.73398	1.0
93.03316	2.4
96.95854	1.4
99.04325	0.5
101.02284	0.6
109.02790	1.4
111.04359	0.9
115.00210	0.6
119.04886	1.3
127.03891	2.0
128.03395	0.8
134.03598	1.6
141.11740	0.5
143.04483	0.5
145.31920	0.5
162.31219	0.5
163.03876	1.7
165.93538	0.5
173.04434	1.0
175.02322	1.4
178.02644	0.6
183.61917	0.4
186.15176	0.5
191.05539	100.0
193.05014	2.4
213.08705	0.4
220.07564	0.5
221.04477	3.3
306.07428	0.7
341.08640	3.0
517.15857	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92922	0.2
52.54299	0.2
57.58622	0.2
59.01241	4.3
59.08350	0.3
65.40975	0.3
71.01226	0.3
78.95759	0.7
79.95585	2.1
91.73405	0.7
96.11450	0.3
96.93403	1.5
96.95869	100.0
96.98646	1.0
97.93038	0.5
105.71021	0.3
109.02792	1.0
114.93254	0.5
128.89227	0.3
132.98050	0.7
137.02338	0.6
153.01833	1.2
162.03101	0.5
228.52284	0.3
262.69403	0.3
271.20700	1.3
297.18726	0.8
315.19662	0.4
323.09613	0.3
333.20673	0.8
337.11243	0.5
339.12735	0.3
349.11356	0.4
350.70825	0.7
369.03937	0.4
375.21774	6.8
375.26169	0.6
383.15176	0.4
383.25446	0.5
385.17258	1.6
387.18701	3.0
413.03067	0.8
413.16492	2.5
419.20795	0.9
429.15485	0.3
431.17520	32.2
432.17932	1.2
441.02551	1.3
473.05106	1.2
517.15399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1867
Annotation	Gossypol
Peak:m/z	Relative Intensity
51.86842	1.3
53.74246	1.0
55.01727	4.8
59.01231	1.9
59.29969	1.1
67.16252	1.2
78.62692	1.2
78.95756	5.8
110.28643	1.3
111.00716	4.7
127.22821	1.3
130.88574	1.3
135.07997	2.5
152.99449	11.2
163.07521	3.3
203.72536	1.4
212.04643	1.6
216.42488	1.5
241.27728	1.7
257.06219	1.5
262.06259	1.7
263.07065	1.8
266.05933	2.2
273.09222	3.9
275.07129	3.3
276.07855	1.8
277.05023	2.0
278.05804	1.6
279.06781	1.8
287.07291	3.3
289.05307	1.5
289.08640	5.3
290.09598	2.9
299.57275	1.5
300.07776	1.8
301.08591	3.6
302.05856	2.8
302.09143	2.4
303.06677	2.6
305.08377	2.4
309.11383	3.5
315.06503	2.7
316.07385	3.2
317.04556	3.1
317.08115	11.6
317.11682	2.2
318.08762	2.1
323.05569	5.3
323.09036	2.9
328.07660	2.4
329.08224	3.5
329.11655	1.7
330.05386	3.3
331.06134	7.0
331.09592	2.0
332.06949	4.0
333.14963	2.7
334.12152	2.3
343.06216	2.6
343.09787	1.9
343.13333	2.3
344.06955	5.3
344.14157	4.3
345.07693	28.6
345.11331	3.2
346.08408	5.1
346.12332	2.2
351.08875	2.9
359.09061	2.2
359.12888	3.9
360.13580	3.6
361.10626	2.1
361.14511	3.1
363.12070	1.9
365.10229	3.0
366.11017	4.4
369.07391	1.8
371.12799	4.2
372.13571	2.5
373.10831	4.1
374.11505	4.1
375.12421	1.8
385.14417	2.6
386.15231	4.6
387.08252	2.4
387.12750	9.0
388.13092	18.9
389.10092	4.4
389.14276	8.2
390.10715	3.3
401.21429	2.1
402.14471	5.5
405.17328	3.1
414.18454	4.4
415.11630	4.9
416.12701	8.9
417.20721	6.1
429.20773	17.3
430.13275	9.5
430.18835	2.6
431.18707	1.7
432.11987	2.9
433.16437	8.3
445.20081	20.9
455.18503	6.6
458.17200	6.1
461.15939	10.4
473.19696	100.0
474.20132	3.7
489.19168	14.2
499.17542	3.6
517.18634	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	517.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.4
58.65276	1.1
59.00005	1.6
59.01241	100.0
65.72330	1.2
69.03304	1.5
71.01238	31.0
71.04869	6.5
72.99165	2.1
73.01099	1.4
73.02805	36.8
81.03308	6.1
82.95295	2.2
83.01237	9.8
85.02798	10.0
87.00726	1.5
89.02293	23.8
95.01254	2.4
95.04890	3.5
96.95876	2.8
97.02814	3.7
97.06458	3.4
99.00748	2.0
99.04375	5.5
101.02299	33.3
107.04893	3.4
107.08511	3.1
107.57814	1.2
109.06445	2.6
111.04433	1.5
113.02305	19.6
115.03865	30.4
115.04653	2.0
119.03362	9.6
121.06467	2.1
123.04440	1.8
123.08135	1.3
125.02319	5.5
128.03403	1.6
131.03375	2.9
137.02327	1.2
143.03365	7.7
145.10114	1.9
149.04486	2.4
161.04456	11.4
163.11143	9.8
167.03432	2.1
178.21906	1.3
179.05534	6.3
187.11212	2.2
189.12723	9.3
207.10266	6.1
207.13869	13.7
231.11247	1.6
233.11789	11.1
251.12840	14.6
259.10956	3.8
269.13992	4.9
277.07217	3.5
293.14001	1.8
335.61670	1.5
369.15698	1.8
395.17072	2.5
413.18073	37.0
414.18530	1.8
431.19275	5.7
473.20255	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	517.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.4
58.65276	1.1
59.00005	1.6
59.01241	100.0
65.72330	1.2
69.03304	1.5
71.01238	31.0
71.04869	6.5
72.99165	2.1
73.01099	1.4
73.02805	36.8
81.03308	6.1
82.95295	2.2
83.01237	9.8
85.02798	10.0
87.00726	1.5
89.02293	23.8
95.01254	2.4
95.04890	3.5
96.95876	2.8
97.02814	3.7
97.06458	3.4
99.00748	2.0
99.04375	5.5
101.02299	33.3
107.04893	3.4
107.08511	3.1
107.57814	1.2
109.06445	2.6
111.04433	1.5
113.02305	19.6
115.03865	30.4
115.04653	2.0
119.03362	9.6
121.06467	2.1
123.04440	1.8
123.08135	1.3
125.02319	5.5
128.03403	1.6
131.03375	2.9
137.02327	1.2
143.03365	7.7
145.10114	1.9
149.04486	2.4
161.04456	11.4
163.11143	9.8
167.03432	2.1
178.21906	1.3
179.05534	6.3
187.11212	2.2
189.12723	9.3
207.10266	6.1
207.13869	13.7
231.11247	1.6
233.11789	11.1
251.12840	14.6
259.10956	3.8
269.13992	4.9
277.07217	3.5
293.14001	1.8
335.61670	1.5
369.15698	1.8
395.17072	2.5
413.18073	37.0
414.18530	1.8
431.19275	5.7
473.20255	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	517.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12381	0.3
55.01751	0.3
57.03325	0.7
59.00060	0.2
59.01242	11.1
60.42328	0.3
66.64431	0.6
67.98598	0.4
69.03314	0.4
71.01238	4.3
73.02823	1.1
78.95772	1.1
81.03325	0.4
83.01247	0.8
83.04894	0.7
85.02827	1.1
87.00739	0.7
89.02295	5.5
95.01255	0.5
95.04881	0.7
96.95892	1.6
97.02803	0.5
97.06455	1.4
98.03600	0.4
98.95455	0.7
101.02305	6.1
106.04099	0.4
111.08018	2.4
113.02290	2.2
113.09570	2.3
115.07546	0.7
116.92810	0.3
119.03350	1.7
119.33408	0.3
123.08051	0.7
125.09623	1.0
126.06773	0.6
127.07555	0.7
134.04588	0.5
135.08070	0.6
137.09595	2.5
139.07552	1.3
139.11168	2.2
141.09074	5.1
143.03279	0.4
143.10716	0.4
149.09639	0.6
151.07513	0.6
151.11191	1.1
153.09148	2.0
154.09941	0.6
155.10670	1.2
161.04440	2.2
165.09140	1.8
165.12759	6.1
167.10661	2.5
169.08611	5.5
171.10249	0.7
179.05502	0.8
183.10216	2.6
183.13907	0.3
185.11765	0.5
191.14348	1.5
193.12222	0.4
201.11226	0.4
205.51219	0.3
212.10504	1.4
213.11235	0.4
219.17517	7.1
235.17010	1.1
237.14754	0.4
237.18547	2.3
245.15378	1.8
253.09282	21.2
253.18318	1.4
263.16528	24.6
264.16980	0.3
281.05408	1.0
281.17587	100.0
282.17889	1.0
283.19034	0.4
301.11938	0.4
448.19443	0.7
504.97113	0.3
517.26477	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	517.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
63.44846	31.2
65.43676	33.3
67.64548	36.6
69.81239	39.0
76.79054	36.8
91.73346	69.3
102.23973	39.5
104.19475	41.9
118.31429	40.5
229.63438	39.7
250.30798	44.1
259.08066	41.5
517.18280	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	517.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	74.7
61.76556	24.2
61.98695	37.0
73.95485	23.8
78.95765	72.9
80.23305	23.2
97.44947	24.5
101.05972	30.6
103.91205	26.2
109.02902	32.9
110.63680	28.6
129.41835	35.3
152.99463	100.0
163.03293	33.6
189.95985	26.4
211.31029	32.9
228.82687	35.7
286.94708	40.6
317.08304	32.5
445.20071	97.2
473.19547	46.1
517.18530	46.5
528.44958	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	517.2975
Annotation	Sampsonione B
Peak:m/z	Relative Intensity
83.04886	8.1
89.27996	1.1
90.54926	1.2
101.02287	2.2
105.57323	1.1
118.49930	1.1
119.04906	2.2
121.02789	1.4
127.01946	6.0
127.05656	1.6
134.72835	1.1
145.04965	1.6
205.41446	1.1
271.97797	1.2
301.25369	26.8
302.25626	2.2
305.32874	1.4
342.76764	1.5
345.24319	6.4
369.24487	2.1
371.23990	27.5
455.25995	9.3
471.21643	1.2
517.29840	100.0
518.30078	4.0
528.26697	1.4
544.81372	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04496	0.8
59.01250	2.6
61.97308	1.5
61.98693	100.0
61.99960	1.9
72.75158	0.8
72.99186	0.8
79.95599	2.0
94.97952	0.8
96.43117	0.8
96.93119	0.9
96.95866	74.4
96.98349	1.3
109.02853	3.5
111.41757	0.9
125.02374	1.0
128.03433	1.6
152.50136	0.9
207.34680	1.0
370.40799	0.9
375.05106	1.1
431.11862	1.9
517.29852	1.2
518.17737	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80052	0.1
57.03306	0.3
58.00450	0.3
58.29549	0.1
58.99964	0.2
59.01242	14.4
59.02376	0.3
60.01574	1.6
60.33917	0.1
61.01659	0.4
61.98694	1.1
69.03312	0.6
69.15351	0.1
71.01238	7.2
72.01569	0.9
72.99167	0.6
73.01646	0.2
73.02803	3.2
74.03156	0.4
78.95762	1.3
79.95588	1.6
81.03307	0.6
82.03645	0.3
83.01247	1.0
85.02803	3.0
86.03139	0.4
87.00748	0.3
89.02302	4.2
90.02625	0.5
95.01263	0.2
96.93140	1.1
96.95869	100.0
96.98231	1.4
97.02800	1.2
98.03131	0.3
99.00741	0.5
101.01646	0.3
101.02308	5.4
102.02648	1.0
102.98429	0.3
103.02733	0.4
103.03867	4.0
104.04195	0.8
105.04321	0.1
108.02077	0.2
109.02850	0.2
113.02307	0.6
115.03894	0.4
119.03356	2.2
120.03744	0.3
120.99516	0.2
125.02309	4.5
126.02655	1.6
127.03873	0.4
131.03400	0.2
143.03427	0.5
144.03772	0.2
145.04932	0.8
146.05341	0.4
149.09605	8.7
150.09950	4.9
151.10223	0.5
161.04515	0.2
163.06013	4.4
164.06352	1.8
165.06462	0.5
200.88611	0.2
205.07185	0.2
209.90437	0.5
224.92734	0.3
247.08189	0.9
248.08615	0.5
249.08737	0.2
262.32190	0.1
307.10352	3.1
308.10721	3.5
309.10840	1.3
313.16574	0.4
319.86932	0.2
327.64227	0.2
357.13623	0.4
421.11404	0.7
445.62018	0.2
459.22299	1.0
519.08691	0.4
519.19006	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80052	0.1
57.03306	0.3
58.00450	0.3
58.29549	0.1
58.99964	0.2
59.01242	14.4
59.02376	0.3
60.01574	1.6
60.33917	0.1
61.01659	0.4
61.98694	1.1
69.03312	0.6
69.15351	0.1
71.01238	7.2
72.01569	0.9
72.99167	0.6
73.01646	0.2
73.02803	3.2
74.03156	0.4
78.95762	1.3
79.95588	1.6
81.03307	0.6
82.03645	0.3
83.01247	1.0
85.02803	3.0
86.03139	0.4
87.00748	0.3
89.02302	4.2
90.02625	0.5
95.01263	0.2
96.93140	1.1
96.95869	100.0
96.98231	1.4
97.02800	1.2
98.03131	0.3
99.00741	0.5
101.01646	0.3
101.02308	5.4
102.02648	1.0
102.98429	0.3
103.02733	0.4
103.03867	4.0
104.04195	0.8
105.04321	0.1
108.02077	0.2
109.02850	0.2
113.02307	0.6
115.03894	0.4
119.03356	2.2
120.03744	0.3
120.99516	0.2
125.02309	4.5
126.02655	1.6
127.03873	0.4
131.03400	0.2
143.03427	0.5
144.03772	0.2
145.04932	0.8
146.05341	0.4
149.09605	8.7
150.09950	4.9
151.10223	0.5
161.04515	0.2
163.06013	4.4
164.06352	1.8
165.06462	0.5
200.88611	0.2
205.07185	0.2
209.90437	0.5
224.92734	0.3
247.08189	0.9
248.08615	0.5
249.08737	0.2
262.32190	0.1
307.10352	3.1
308.10721	3.5
309.10840	1.3
313.16574	0.4
319.86932	0.2
327.64227	0.2
357.13623	0.4
421.11404	0.7
445.62018	0.2
459.22299	1.0
519.08691	0.4
519.19006	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04414	0.5
51.65373	0.5
58.00464	1.1
59.01241	0.8
61.00866	0.9
68.99650	0.7
72.99163	16.2
75.00742	1.1
87.00742	0.8
93.03302	3.7
93.27548	0.8
99.00733	0.7
101.00374	2.2
103.01955	1.3
106.04120	0.8
107.04883	7.4
112.98671	1.9
119.04871	3.9
121.02826	1.0
131.04935	3.5
133.02792	0.8
138.35887	0.8
145.02917	1.0
147.04405	24.8
148.04782	1.0
149.05957	5.9
165.05467	18.2
166.05745	1.3
166.15228	0.7
175.03931	2.7
175.05597	1.4
179.03386	9.4
186.84695	0.7
191.05176	5.5
193.05000	6.4
193.06671	1.1
207.04648	1.4
209.06232	4.0
219.02916	11.1
219.04729	6.0
249.06090	0.9
255.05110	2.8
263.03723	0.8
269.08292	1.2
280.05066	1.1
281.04773	37.1
313.07205	1.3
339.05344	0.8
372.17047	0.8
429.09924	2.5
434.35364	0.8
457.09433	2.2
501.08017	1.1
518.10089	1.8
519.09570	100.0
520.09479	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	519.1141
Annotation	Isorhamnetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
55.84524	0.5
59.01245	5.0
63.66370	0.5
73.02804	0.5
74.07854	0.5
82.16872	0.6
91.33829	0.9
91.34337	0.6
92.53935	0.6
107.01245	1.1
108.84650	0.6
113.02346	0.6
138.34006	0.6
151.00235	2.8
187.03984	0.9
197.02351	0.8
199.03912	5.3
201.01889	1.7
203.03430	1.0
204.04236	1.1
209.08287	0.7
215.03485	5.4
225.01920	1.0
227.03464	5.9
242.02185	12.1
243.02968	44.9
244.03336	1.0
255.02971	1.7
257.04568	12.7
270.01678	13.8
271.02493	46.8
274.87976	0.7
280.54269	0.6
284.03198	1.0
285.04053	29.4
286.04779	7.6
299.01993	9.8
300.02765	4.3
314.04352	45.0
315.05081	7.2
357.06256	1.3
357.11746	0.6
420.52213	0.7
519.11444	100.0
519.31744	2.3
520.11664	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	2.7
59.01239	13.7
61.98690	6.1
68.04086	2.4
68.67136	2.7
68.99662	5.4
77.10616	2.9
83.01247	12.6
96.95852	3.1
102.25722	2.8
107.04903	4.7
109.02837	8.7
118.55782	2.9
119.04865	8.0
121.06475	9.5
127.00240	22.6
132.42104	3.2
133.06502	13.9
135.04430	6.3
135.08014	4.1
144.05676	5.0
147.04422	19.3
149.05977	22.9
159.04414	4.3
161.06006	22.2
163.03835	7.1
175.03888	19.4
177.05527	20.6
178.02710	6.9
193.05055	13.2
199.11333	3.7
203.03395	7.1
215.07042	6.0
217.12297	100.0
219.02885	26.5
220.03745	6.7
221.04533	45.2
228.04260	3.2
245.11845	36.1
255.13916	4.7
261.11334	17.0
291.12451	8.9
301.14569	11.4
377.17618	6.4
383.00867	4.2
387.10495	4.9
465.15561	3.9
483.16559	63.9
519.14600	22.3
519.21814	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75151	3.0
55.60222	3.0
59.01247	21.5
59.01482	3.5
61.98684	11.7
66.91022	3.4
68.99662	7.7
80.16968	3.6
83.01233	19.0
91.72789	9.2
96.95914	5.5
97.06428	5.2
105.06939	4.6
107.04868	3.6
109.02824	7.0
111.04430	6.3
117.40065	4.0
119.04885	8.8
121.02875	4.0
121.06467	15.8
123.04346	5.0
127.00230	38.2
131.04930	5.6
133.06482	11.8
134.03629	6.0
135.04419	7.3
136.06287	3.7
144.05655	5.4
147.04382	20.4
148.05174	4.7
149.05917	24.5
153.09079	6.8
159.04454	10.1
161.06009	21.5
162.03101	5.9
163.03914	7.7
175.03931	20.4
177.05473	16.8
193.04988	7.5
199.11250	6.1
203.03462	15.3
217.12283	97.2
219.02939	23.1
221.04539	40.4
229.05162	4.2
238.04819	4.5
241.00841	4.3
245.11859	41.1
261.11282	13.4
291.12454	20.0
299.12833	6.8
301.14435	17.0
370.74597	4.6
377.17728	8.9
395.18607	6.3
402.71802	4.4
425.15616	7.9
472.73874	5.5
483.16650	100.0
519.14453	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	519.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40063	0.6
57.03310	0.7
57.44471	0.6
59.01241	5.1
67.51651	0.7
71.01237	6.9
72.08095	0.7
72.99149	2.4
73.02791	1.4
77.93991	0.6
80.24979	1.3
80.25348	0.8
81.03313	2.2
83.04872	2.3
85.02809	1.3
87.00716	2.2
89.02295	5.8
93.03313	4.9
96.95875	12.2
97.02797	1.1
98.76638	0.8
99.00739	3.6
101.02303	2.8
108.02010	1.2
109.02830	1.0
111.04388	6.2
115.00254	1.0
119.13940	0.7
121.02821	3.1
122.03631	0.9
123.00751	1.6
123.04365	0.8
124.28913	0.8
125.02312	3.0
134.03590	1.6
135.04385	0.8
137.02316	1.6
137.99347	0.6
138.52603	0.8
149.04463	1.7
150.03133	0.8
151.00304	1.3
153.01770	1.0
155.03392	7.6
156.77589	0.7
165.09164	1.5
166.02594	1.0
167.04906	1.0
169.06465	0.7
171.04367	1.7
173.03055	1.1
173.04472	12.8
179.03313	1.2
181.06551	1.3
182.27472	0.8
183.04451	0.9
185.06017	2.3
191.05507	0.9
195.04445	2.8
196.05156	1.6
197.05998	3.5
208.05310	1.8
209.06073	2.3
212.04646	1.5
213.05515	12.0
223.03963	2.4
224.04758	5.4
225.05518	10.7
229.04985	1.0
233.06537	1.5
234.12253	0.7
237.05502	3.7
238.06088	0.9
239.03415	0.9
239.07126	3.1
240.04326	1.9
240.07733	1.0
241.05048	42.9
242.05502	1.2
245.04556	0.8
251.07115	1.3
252.07913	1.1
253.05066	16.1
255.06712	1.5
256.07394	20.5
257.04379	1.0
259.06119	2.2
267.02890	2.5
267.06677	1.4
268.03763	1.2
268.07407	5.2
269.04620	5.4
271.06128	1.8
271.09863	4.6
280.03857	1.3
281.04565	3.1
282.05283	2.1
283.06146	2.9
283.09683	1.9
284.06967	3.7
285.03998	7.5
293.08826	5.3
295.06168	1.8
296.06882	9.3
297.04092	25.2
297.07596	2.0
298.04434	1.0
300.06390	27.8
301.06787	1.2
311.05630	2.8
312.06427	24.7
315.08759	94.1
316.09067	3.7
327.08755	100.0
328.09015	2.6
345.09811	49.0
346.10263	2.4
389.15607	0.8
459.18619	5.0
519.15192	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11789	0.3
55.66550	0.4
56.84797	0.4
58.00458	7.4
59.01234	1.7
62.65842	0.4
71.01228	0.8
72.99164	1.2
85.00920	0.4
87.00724	0.9
90.54089	0.4
91.36606	0.4
91.72697	0.7
92.39092	0.4
93.03318	7.8
96.95877	1.7
103.00266	1.0
106.04125	0.7
107.04879	5.7
109.02810	0.7
111.00713	0.6
112.98663	1.4
113.91981	0.4
119.04910	5.0
121.02840	0.6
131.04961	1.1
133.02812	0.7
134.66637	0.6
135.04367	2.3
137.05920	0.7
139.98445	0.5
147.04413	4.0
149.05988	5.1
157.06824	0.5
163.03912	1.8
165.05469	100.0
165.11050	1.1
166.05807	0.9
175.03815	1.0
179.03348	0.6
193.04991	7.6
209.04469	3.8
211.28918	0.5
219.02971	0.7
226.15282	0.5
237.04016	4.1
245.15331	0.5
250.98468	0.5
255.05052	1.4
295.06308	0.5
313.16931	0.5
333.13559	0.6
337.17871	0.4
351.14603	1.1
427.07434	0.5
459.22620	0.8
460.81693	0.5
469.69739	0.5
489.15756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1874
Annotation	(-)-Pinoresinol glucoside
Peak:m/z	Relative Intensity
50.98268	0.6
50.99052	0.4
52.01075	0.9
53.27656	0.5
55.45575	1.3
55.45803	0.6
59.00967	0.8
59.01242	8.6
69.49418	0.5
71.01237	6.4
72.99152	0.8
73.02804	2.3
75.00722	0.9
76.01015	0.5
78.91740	2.0
84.02021	0.8
85.02803	2.1
87.00716	1.2
89.02299	6.1
93.03314	1.3
95.01241	0.8
96.95869	4.6
99.00716	1.5
101.02312	3.4
105.03316	0.8
108.02026	1.9
109.02820	1.9
111.00712	0.6
113.02304	2.5
119.03365	1.5
121.02834	6.8
122.03607	3.3
123.04434	1.2
125.02299	0.6
131.03381	0.7
133.02826	8.6
134.03627	5.3
135.04402	6.5
136.01538	68.2
137.02321	4.3
146.03583	1.7
147.04340	0.8
149.04434	2.3
149.06006	1.5
149.33337	0.7
151.03897	100.0
151.08960	1.2
152.04248	1.3
159.04398	0.9
160.05208	1.4
161.02347	2.2
161.04462	1.6
161.05913	1.2
162.03075	0.8
163.03870	1.1
165.05400	0.7
173.04468	1.7
175.03934	1.3
175.07570	1.4
176.04674	1.6
177.01860	4.8
177.05489	0.9
178.02629	5.3
178.24434	0.6
179.03398	5.2
187.03957	1.0
189.05486	0.8
191.03758	0.6
191.05482	0.9
193.05000	2.5
262.36533	0.7
271.02463	1.0
294.08698	0.7
311.12897	1.0
313.07104	1.3
313.10806	1.4
327.12314	4.1
339.08768	14.1
340.08304	0.8
342.11023	5.5
357.13461	98.4
358.13712	3.0
373.40259	0.7
417.45294	0.7
450.01254	0.7
450.07959	0.7
519.17145	1.5
519.24554	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2023
Annotation	Formosanatin A
Peak:m/z	Relative Intensity
71.01215	2.6
75.59699	1.9
78.95742	3.0
96.95876	3.5
97.00589	2.2
152.99431	7.9
253.04857	2.4
262.06131	3.0
289.08594	4.0
295.13443	3.7
297.11295	3.6
303.06653	3.2
304.07736	2.4
309.11224	3.1
312.47495	2.4
325.10773	8.9
336.10239	2.8
347.12845	3.2
361.14352	4.0
375.12320	3.9
388.12936	4.2
429.20721	2.9
432.19513	4.5
445.20212	7.5
447.21927	14.4
455.18979	3.0
457.19922	6.1
473.19971	15.2
475.21310	13.3
491.20917	3.7
501.19144	31.3
519.20190	100.0
520.19971	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	519.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99995	0.8
59.01244	55.3
59.02348	0.9
69.03316	1.4
71.00878	0.9
71.01245	17.0
71.01640	1.0
72.99146	0.9
73.01088	0.7
73.02807	49.3
78.95771	4.3
79.95592	1.4
81.03328	1.7
82.95264	0.7
83.01241	12.7
83.04893	1.7
83.54070	0.6
85.02805	2.4
89.02307	5.7
94.97949	3.5
95.97486	0.7
96.95872	100.0
96.96773	8.4
97.02811	1.3
99.00746	0.9
99.04379	1.9
101.02308	38.2
112.60979	0.6
113.02309	6.5
115.03869	7.6
119.03374	2.6
125.02341	1.3
131.03375	3.2
135.11685	1.1
143.03392	4.1
149.04437	4.2
161.04448	9.8
167.10660	1.4
173.13216	0.9
183.01271	0.7
191.14362	7.9
209.90515	1.9
221.06732	0.8
224.92865	1.1
235.13409	0.8
238.76677	0.7
253.14481	5.0
299.46921	0.7
433.20789	0.7
475.21823	27.4
476.21927	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21774	0.3
57.03308	1.2
58.00460	0.5
59.01242	14.8
59.31227	0.5
60.99160	1.0
61.12421	0.3
65.03811	0.3
67.01746	7.5
68.99638	0.5
69.03316	2.1
69.55334	0.6
69.55701	0.6
71.01240	8.9
71.04836	0.4
72.99157	1.3
73.02798	2.1
81.03311	1.5
83.01266	0.6
83.04888	1.8
85.02814	3.3
87.00733	5.0
89.02303	6.8
91.72739	0.4
93.00876	0.6
93.03314	47.2
94.03639	0.4
96.95862	1.4
97.02833	0.3
99.00749	1.0
99.04407	0.6
101.02303	6.8
109.02830	1.4
111.00751	1.0
111.04377	7.8
113.02303	2.2
115.03823	0.5
116.92722	1.0
117.01834	0.3
117.51586	0.4
119.03362	3.5
121.10052	0.9
125.02212	0.4
127.03878	0.5
129.01762	0.8
135.04362	0.6
137.02319	5.3
143.03369	0.4
155.03380	6.8
159.89603	0.3
161.04433	0.7
172.98288	1.0
173.04460	100.0
174.04797	1.6
179.03462	0.7
179.05405	0.4
191.05537	18.8
210.60204	0.3
277.75101	0.3
293.08679	0.5
345.15549	19.1
346.15845	0.5
357.06171	0.8
459.18814	0.7
519.20898	54.0
520.21100	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	519.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.1
58.00447	1.1
59.00026	1.6
59.01242	100.0
60.01563	0.8
63.57499	0.8
64.88203	0.8
69.03311	3.5
71.01241	27.2
71.04867	7.9
72.99141	1.3
73.02393	2.0
73.02803	38.9
81.03325	4.0
83.01238	9.5
83.04884	2.2
85.02805	7.7
85.94967	0.9
87.00727	2.2
89.02293	12.1
93.03335	1.4
94.97952	1.6
95.01190	1.9
97.02801	4.4
97.06450	6.4
99.00728	1.7
99.04376	3.9
101.02300	35.9
109.06483	1.7
113.02300	15.4
115.03871	42.1
119.03374	6.1
125.02260	1.7
126.03074	1.7
131.03348	4.3
143.03386	4.4
147.11681	3.1
149.04430	2.1
155.10683	2.1
161.04469	8.1
161.97182	0.9
165.12810	2.1
167.03445	1.2
173.04472	2.5
175.02385	2.0
179.05539	2.5
191.14284	1.7
207.13792	1.6
209.11844	1.7
209.15416	12.2
235.13289	4.5
253.14418	23.9
271.15500	13.4
295.15482	4.0
313.16568	2.6
415.19720	24.7
433.20724	10.3
475.21915	6.1
498.70938	1.0
500.41864	1.1
515.17914	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35855	0.9
54.10080	0.8
57.03307	3.0
58.46123	1.1
58.60131	1.0
59.00064	2.1
59.01241	100.0
59.05430	1.1
63.41307	0.9
69.03313	2.5
71.01235	26.9
71.04881	9.6
73.01163	1.1
73.02396	2.2
73.02803	34.6
75.00729	2.0
81.03307	3.0
81.83819	1.1
83.01239	9.6
83.04886	2.0
84.94957	1.1
85.02799	7.6
87.00750	1.6
87.19554	0.9
89.02288	17.8
91.62061	1.0
95.01227	2.5
96.95889	1.0
97.02806	4.8
97.06448	10.2
99.00726	1.8
99.04366	3.8
101.02305	29.0
111.04382	1.6
113.02306	17.6
113.03071	0.7
115.03877	39.9
119.03360	5.9
121.02771	1.3
122.03547	2.0
123.08002	1.2
125.02325	4.2
126.03128	1.8
131.03369	2.6
133.10117	4.4
143.03360	3.2
149.04391	1.8
151.11163	3.5
152.03369	9.5
153.09087	2.8
155.10678	2.7
161.04478	8.4
162.42953	1.3
167.03468	1.3
169.12210	1.3
179.05513	4.8
191.14265	1.7
195.06573	1.8
195.10228	2.2
209.15413	12.7
226.00514	1.1
235.13411	4.0
237.07753	2.3
249.07516	1.3
253.14442	26.1
271.15457	15.0
279.08783	9.7
295.15411	3.2
309.09702	6.8
339.10757	1.4
345.22574	1.4
354.40662	1.1
399.13016	1.9
415.19733	72.6
416.19965	2.8
433.20810	13.7
475.21869	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	519.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59574	0.5
55.01747	1.3
56.87504	0.6
57.03322	0.9
58.00449	1.3
58.99886	0.8
59.00143	1.1
59.01242	63.9
59.02463	1.0
67.01751	1.1
69.03299	0.9
71.01238	25.9
72.99164	3.7
73.02803	6.4
74.98953	1.3
81.03297	0.7
83.01233	3.5
83.04874	2.2
85.02811	6.3
87.00730	3.0
89.02299	28.3
90.89318	0.7
93.03313	8.6
95.01220	1.6
96.95881	1.5
99.00757	1.0
101.02302	27.8
104.73497	1.3
104.74081	0.8
109.02828	1.0
111.00756	0.9
111.04379	8.6
113.02288	6.6
115.00225	1.0
119.03366	16.0
121.10071	3.1
125.02318	0.9
129.01878	0.7
129.05400	0.7
130.82094	0.6
133.02794	0.8
134.30373	1.5
135.04404	1.9
136.99051	1.0
137.02281	1.0
147.04395	1.9
149.04475	1.4
151.03732	0.8
155.03395	7.2
161.04480	2.9
165.09082	1.0
173.04465	28.7
177.01759	0.8
179.03400	2.1
189.07613	0.9
191.05469	4.9
220.06941	0.9
245.88283	0.8
269.08191	0.8
281.04831	1.5
281.12415	0.7
301.16385	1.2
345.15558	69.5
346.15961	1.8
356.90961	0.9
519.09027	2.9
519.20892	100.0
520.21515	5.1
529.89941	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08243	0.6
58.00475	0.8
58.99986	1.4
59.01241	100.0
59.02370	1.8
61.98677	1.2
68.42733	0.7
69.03329	1.3
71.00835	0.6
71.00906	0.4
71.01238	19.4
71.04875	4.8
73.02802	40.3
75.00703	0.7
77.87161	0.6
78.95765	2.1
81.03314	4.0
83.01238	9.6
83.04863	1.0
85.02811	5.6
87.00726	1.4
89.02299	9.8
95.01275	1.1
95.18459	0.7
96.95878	1.2
97.02829	2.7
99.00747	1.8
99.04401	2.2
101.02304	34.9
110.30795	0.8
113.02298	13.3
113.03007	1.1
113.06063	0.7
115.03873	27.1
119.03385	5.8
125.02354	1.9
126.03136	1.3
131.03391	3.0
137.09610	1.3
139.11194	1.7
143.03406	3.9
149.04445	4.2
155.03410	1.0
161.04469	8.6
175.14896	1.6
179.05565	2.4
193.15916	12.3
219.13876	1.1
221.06517	1.2
237.14926	14.0
237.17114	1.0
255.15993	9.2
265.73099	0.8
279.16037	1.2
297.16943	1.4
326.55032	0.9
399.20255	22.9
399.25101	1.4
410.42249	0.8
417.21194	8.7
459.22272	14.2
459.27762	0.9
490.40018	0.8
519.32184	1.6
527.55054	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.7
57.31525	0.5
58.00486	0.8
59.01242	100.0
59.02411	1.8
59.07830	0.5
69.03318	1.6
71.01240	26.8
71.02809	0.6
73.02805	65.2
73.04406	0.9
75.00724	0.7
81.03315	1.6
83.01241	15.3
85.02806	4.4
87.00732	1.1
89.02299	8.4
95.01245	1.3
96.95863	5.9
97.02811	1.4
98.95445	6.2
98.96366	1.2
99.00746	0.7
99.04359	1.3
99.92435	4.2
100.93233	1.6
101.02303	53.6
102.02604	0.8
103.00226	1.2
113.02309	14.2
114.94780	0.8
115.03890	2.1
115.12304	0.5
115.91947	1.9
116.92722	11.9
119.03373	5.2
125.02337	1.7
131.03392	3.7
134.15567	0.6
143.03372	5.3
149.04440	7.5
158.93835	1.7
161.04442	16.1
163.11226	0.6
179.05568	1.0
193.15919	6.5
203.05574	1.9
211.16997	1.3
221.06581	3.1
225.80817	0.6
235.70068	0.6
237.14957	6.3
255.16006	7.7
287.78552	0.6
323.40298	0.7
327.25339	1.0
357.26495	1.8
397.11203	1.6
398.11887	1.4
399.20242	3.1
415.12344	1.0
417.21335	2.6
459.22351	9.2
519.13251	1.5
519.31750	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	519.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81862	0.2
57.03317	0.7
58.00462	0.7
58.45153	0.2
59.00116	1.8
59.01241	100.0
59.02530	1.5
60.01576	0.4
66.88935	0.2
67.01743	0.3
69.03319	1.0
70.99729	0.4
71.01237	21.2
71.02919	0.4
71.04877	8.1
72.99179	0.7
73.01225	0.5
73.02802	30.6
74.03146	0.3
75.00743	0.5
80.02561	0.3
81.03310	4.9
83.01237	7.8
83.04871	0.9
84.02025	0.4
84.12229	0.3
85.02805	5.8
87.00739	0.9
89.02293	11.0
95.01231	1.0
95.04890	0.3
97.02805	3.2
97.06403	0.4
99.00757	1.2
99.04367	2.0
100.84428	0.2
100.99747	0.4
101.02299	28.8
101.05150	0.3
102.02621	0.3
107.04881	0.4
107.07028	0.2
113.02306	12.7
113.05976	0.3
115.00755	0.6
115.03871	39.3
116.04227	0.4
119.03361	5.3
125.02315	1.5
126.03119	1.4
131.03371	1.9
137.09599	1.8
139.11140	3.1
141.13910	0.2
143.03378	3.6
149.04422	2.6
153.12737	0.4
154.82878	0.3
155.03333	0.6
155.76146	0.3
157.04951	0.3
161.04440	8.1
163.11139	0.8
165.12714	0.5
175.14828	2.3
179.05531	2.7
179.10759	0.2
181.12234	1.1
191.14342	1.4
193.15901	17.6
194.16185	0.4
203.05515	0.9
209.15472	0.4
217.15909	0.8
217.20558	0.3
219.13852	1.0
221.06667	0.7
221.15503	0.3
237.14926	18.9
238.15157	0.5
239.16429	0.5
255.16006	11.1
279.16086	1.5
297.17099	2.6
339.18246	0.3
351.18073	0.4
358.66144	0.3
399.20236	27.0
400.20636	1.4
417.21286	10.7
418.21707	0.4
459.22360	18.8
460.22632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29832	1.0
59.00060	1.8
59.01241	100.0
60.01593	1.0
61.98690	12.1
71.01229	12.8
71.04876	9.2
72.99158	1.1
73.02805	10.0
77.96217	0.9
78.95746	1.6
79.95599	1.2
81.03313	1.9
82.95264	3.6
83.01238	3.1
85.02803	5.1
87.00711	2.0
89.02293	8.2
89.02757	1.3
89.99633	1.1
95.01196	1.6
96.04153	1.2
96.93443	1.3
96.95866	67.5
96.96857	3.4
97.02822	4.6
97.28708	1.2
99.00728	1.5
99.04372	2.7
101.02296	16.6
113.02270	7.0
115.03873	59.6
119.03393	2.5
125.45683	1.4
139.11182	3.2
143.03371	2.0
151.03888	2.1
161.04436	4.7
164.11975	1.2
168.71330	1.2
175.14786	1.8
193.15875	9.5
203.05554	1.6
237.14961	16.1
255.15981	12.1
283.19086	2.8
292.41971	1.3
373.10034	1.2
399.20102	9.2
417.21054	6.1
459.22147	16.9
475.24979	1.4
519.31390	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	519.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	82.9
61.98685	100.0
64.58570	20.2
78.61911	20.2
80.63060	20.2
96.95856	37.8
109.02827	70.4
130.46693	20.9
150.12381	23.9
153.01831	51.5
210.31459	22.4
398.35254	25.8
402.98383	29.2
446.82574	27.5
447.22003	41.2
457.10556	29.8
459.22491	38.5
519.14697	49.2
519.26251	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	519.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	27.4
61.98455	9.3
61.98696	100.0
73.05109	9.2
101.02287	13.8
102.76046	9.3
126.95184	10.8
153.01669	11.4
165.85866	9.3
169.31738	9.2
195.16776	9.0
204.60672	9.8
213.21875	12.1
236.80516	11.3
246.04718	10.1
250.54181	11.2
390.99304	15.0
445.20999	9.8
447.21722	34.2
459.22949	14.1
519.14673	26.9
532.16742	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	520.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78740	0.2
58.00485	0.2
59.01246	2.5
60.01567	0.4
61.97277	1.3
61.98694	100.0
61.99968	1.8
67.07411	0.2
69.03325	0.4
70.53304	0.2
71.01236	2.3
72.01575	0.5
73.02802	0.6
75.60068	0.2
75.69713	0.2
85.02850	0.3
89.02302	3.2
89.86719	0.2
90.02642	0.7
91.02724	0.8
94.16851	0.2
96.95866	2.3
97.02823	0.4
99.00757	0.6
101.02309	0.6
109.02811	0.4
113.02274	0.3
125.02277	1.3
125.09559	0.3
126.02673	0.5
127.02766	0.3
131.03380	0.5
132.87349	0.3
135.04440	0.2
143.03435	0.2
148.05190	1.0
149.04446	0.4
149.05586	0.6
163.07590	0.3
164.07977	0.3
165.05487	0.3
187.09738	0.6
191.05458	0.2
203.44969	0.2
233.06697	0.4
234.06955	0.5
235.07190	0.6
293.08939	0.9
294.09216	1.0
295.09293	1.5
296.09766	0.6
313.16714	0.3
315.48193	0.3
466.57507	0.3
521.04364	0.4
521.13721	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00964	0.3
59.01242	3.6
60.01581	0.4
61.01675	0.5
61.97313	1.5
61.98693	100.0
61.99891	1.4
69.03311	0.3
71.01239	2.2
72.01599	0.3
73.01658	0.2
73.02446	0.2
73.02785	0.9
74.61555	0.2
79.95600	0.3
83.01245	0.3
85.02818	0.6
88.03710	0.2
89.02303	1.3
89.59314	0.2
96.95867	11.0
97.02803	0.4
98.95456	0.3
101.02292	1.4
102.02673	0.4
103.02766	0.3
103.03864	1.0
104.04247	0.2
105.04330	0.2
113.02333	0.2
119.03357	0.4
125.02302	1.5
126.02662	0.4
127.02800	0.4
127.03906	0.2
135.04436	0.2
149.04488	0.3
149.09615	1.7
150.09952	1.2
151.10277	0.3
163.06000	1.1
164.06364	0.4
165.06548	0.3
167.10721	0.6
179.03528	0.2
181.05110	0.2
181.12523	0.2
293.08841	0.4
307.10504	0.3
308.10800	0.4
309.10898	0.9
310.11328	0.4
314.24286	0.2
422.52896	0.2
460.22824	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	521.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07552	0.2
58.15764	0.3
59.01243	3.2
60.99170	12.0
61.98687	0.5
64.96587	0.2
71.01241	1.0
73.02804	0.5
83.01231	0.4
84.71098	0.3
85.02802	0.3
87.00691	0.3
88.98660	100.0
89.00834	1.8
89.02312	0.5
89.62234	0.3
89.98989	0.5
90.56835	0.3
95.80127	0.3
96.95861	0.3
98.02341	0.3
99.05109	0.3
101.02281	0.7
113.02301	0.6
115.03931	0.6
119.03358	0.4
128.03391	0.4
143.04564	0.3
165.05386	0.3
167.40359	0.3
173.04454	0.4
197.46606	0.3
215.19167	0.3
227.03416	1.3
229.04993	0.5
255.03015	1.8
284.03299	1.7
285.04062	2.5
286.04282	0.3
308.07401	0.4
325.54263	0.3
341.12964	0.3
417.20877	0.6
431.09824	2.8
435.22440	0.3
477.23242	0.9
521.25928	2.2
521.33246	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56038	0.1
59.01241	1.4
59.01664	0.1
67.16405	0.2
69.03304	0.3
71.01244	0.9
72.99171	0.3
73.02801	0.6
74.82442	0.1
78.95763	1.1
79.95583	1.8
83.01238	0.4
85.02811	0.8
89.02330	0.2
96.93208	1.2
96.95869	100.0
96.98178	1.3
97.95780	0.2
99.00742	0.2
101.02294	1.4
113.02306	1.4
124.92537	0.1
125.02304	1.2
161.04460	0.6
165.05484	0.2
201.26321	0.2
315.18115	1.8
367.14026	2.6
368.14496	0.4
390.06348	0.2
395.13486	0.3
423.13165	0.8
461.23932	4.4
482.77545	0.1
522.18774	0.2
544.45435	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	521.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11202	0.1
53.05644	0.1
53.05902	0.1
54.43571	0.1
54.49669	0.1
58.83459	0.1
59.01241	1.8
60.01590	0.2
63.09954	0.2
67.17002	0.2
71.01231	0.7
73.02802	0.8
75.42836	0.2
78.95759	4.1
79.95592	1.5
89.02309	0.4
96.93130	1.2
96.95870	100.0
96.96774	8.8
96.98331	1.3
101.02312	0.6
133.71777	0.2
159.50414	0.2
180.20305	0.2
183.22743	0.2
261.09018	0.2
303.15945	0.2
346.25940	0.3
370.56247	0.2
423.13846	0.2
477.23380	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.4
60.50479	0.1
69.07943	0.1
71.01268	0.1
72.99170	0.3
73.02792	0.1
73.69724	0.1
76.62803	0.1
78.95758	1.7
78.96198	0.1
79.95595	1.4
84.73281	0.1
89.02277	0.1
91.72651	0.2
96.93587	1.0
96.95871	100.0
96.96861	3.6
96.98514	1.3
101.02328	0.1
131.77971	0.1
148.24069	0.1
163.07237	0.1
163.90489	0.1
167.10686	0.1
186.06779	0.1
215.14386	0.3
233.15413	0.2
243.13951	0.3
261.14890	0.1
262.86612	0.1
287.12900	0.7
288.34131	0.1
349.12973	0.5
367.13977	2.3
367.18256	0.2
423.12952	1.1
432.53314	0.1
521.10400	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	5.3
61.45726	1.3
61.98683	6.8
62.13249	1.5
63.88776	1.3
71.01233	3.5
73.02793	1.5
75.00754	1.8
85.02818	2.1
93.03346	1.6
94.57520	1.6
96.95855	15.9
101.02321	2.9
108.02057	2.1
109.02802	3.5
113.02354	2.0
116.75433	1.4
117.03331	5.7
119.04921	12.0
121.02830	7.0
122.03600	3.4
126.52959	1.4
134.03624	1.9
135.04376	2.7
136.01540	43.6
137.02322	3.5
145.02870	11.2
146.03595	2.5
149.05945	4.1
151.03897	50.5
161.02319	3.2
161.04468	2.5
161.06007	1.5
162.03128	3.1
163.00304	2.3
163.03912	15.2
165.05489	6.1
177.05444	3.7
179.03404	6.2
179.07066	3.0
189.01935	1.8
221.63356	2.0
261.00406	3.5
289.48993	1.8
296.23691	1.7
309.07803	1.9
315.18228	3.4
327.12054	2.1
341.10379	2.3
342.11111	6.3
386.10199	10.1
401.12430	100.0
402.13007	2.9
461.24017	14.5
477.15646	3.6
498.54953	2.1
521.15338	4.6
521.18079	5.1
544.67535	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	521.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10601	0.4
58.58328	0.3
59.01248	1.1
59.52802	0.2
69.40353	0.3
71.04886	0.3
72.76353	0.3
85.06445	14.5
87.04378	0.5
91.72929	0.9
91.73454	0.3
96.95870	0.7
113.05946	12.8
115.03872	34.7
120.99539	0.4
129.05423	1.0
131.06993	2.6
139.03856	1.0
141.51059	0.3
152.32654	0.3
157.04933	4.0
175.06027	100.0
175.12170	1.0
176.06451	0.5
193.08691	0.8
259.17242	0.3
272.31921	0.3
298.02426	0.4
301.09225	0.3
399.13141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86795	0.3
58.00471	0.4
59.01242	6.2
61.98697	1.3
70.33597	0.3
71.01247	5.2
72.99156	0.9
73.02809	2.4
78.95781	0.7
79.95589	0.7
81.03258	0.3
83.01253	1.6
85.02803	2.7
89.02307	0.4
93.03329	1.3
95.01241	0.7
96.93171	0.4
96.95869	36.7
96.98344	0.5
97.55962	0.4
97.95887	0.3
98.95448	2.5
99.00741	0.7
101.02304	5.6
107.04913	0.6
108.02060	0.6
109.02800	0.9
111.00694	0.5
113.02312	3.3
119.03445	0.4
119.04873	0.5
121.02843	1.5
123.00741	0.7
125.02322	1.3
133.02847	1.4
134.03612	44.1
134.07594	0.6
135.04425	2.1
137.02321	6.4
139.03877	1.5
143.03386	0.7
147.04385	0.8
149.02306	0.7
149.05963	16.2
150.03084	0.9
159.02844	0.5
161.02367	0.5
161.04434	2.4
163.03845	0.5
165.05452	4.3
173.04456	0.7
178.02629	34.9
179.03426	3.0
188.04764	0.4
189.05431	0.4
192.04172	0.6
193.04990	100.0
193.11862	1.0
194.05312	1.3
211.90254	0.4
265.08908	0.4
278.09604	0.5
281.08249	0.5
288.02972	0.4
293.11810	1.1
295.09662	0.4
307.09818	0.4
309.11313	0.6
310.81693	0.3
315.18124	5.6
367.14032	0.8
428.12497	0.7
431.14944	1.4
443.14917	1.8
459.17993	0.9
461.23984	20.5
473.16287	0.4
491.17093	4.7
503.17148	16.7
521.18011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37897	0.7
54.18508	0.4
57.03315	0.8
57.53887	0.6
58.00462	0.9
59.00040	1.0
59.01240	51.9
59.02557	0.7
67.78244	0.5
69.03309	5.5
71.01237	53.0
72.99154	1.9
73.02805	9.8
75.00728	2.4
81.03299	3.3
83.01250	3.5
85.02805	6.4
87.00739	1.4
89.00077	1.3
89.02294	80.3
89.04760	0.9
90.02604	0.8
91.04379	0.5
93.03317	0.6
95.01273	1.5
95.30035	0.6
96.02023	0.5
96.95860	1.4
97.02806	9.8
99.00735	13.1
99.04372	1.9
101.02301	12.8
104.24448	0.5
107.01210	0.7
109.02811	1.3
111.00747	1.3
113.02293	5.5
115.03861	6.7
119.03420	1.2
121.02839	1.2
122.03610	4.4
125.02311	39.0
127.03843	1.5
131.03377	9.1
136.01512	0.7
138.03078	1.1
143.03365	3.6
145.04919	0.7
148.39091	0.6
149.04433	13.8
152.04672	33.2
153.05405	1.7
155.03418	0.7
161.04453	1.7
167.07040	19.7
167.08464	1.1
173.04424	1.2
175.06027	0.5
177.01729	0.7
191.05550	9.5
204.99825	5.1
215.05484	0.9
233.06627	32.0
275.41406	0.6
293.08789	100.0
294.09167	2.2
303.36511	0.7
319.40219	0.7
441.81464	1.3
453.96100	0.6
461.16647	4.9
478.21405	0.8
485.07285	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55490	0.4
55.76059	0.2
57.41110	0.2
58.54187	0.4
59.01237	1.4
71.01234	1.7
73.02789	0.8
73.67927	0.2
75.00737	0.3
83.01240	0.3
84.85941	0.2
85.02806	0.9
87.00714	0.4
89.02280	0.4
90.98462	0.4
93.03336	0.3
101.02309	1.1
107.04888	0.3
108.02029	0.3
113.02311	0.9
121.02817	3.1
122.03603	1.5
122.72947	0.3
123.00790	0.5
123.04435	0.4
124.01492	0.5
124.05319	0.4
128.03401	0.3
135.04352	0.4
136.05186	1.2
137.02307	0.3
137.06024	0.5
143.04904	0.7
145.02853	0.3
146.03578	0.3
147.04385	1.9
149.02325	0.6
150.03107	2.3
151.00313	0.3
151.03876	0.4
153.05441	0.7
158.03633	2.5
159.04414	6.9
160.05196	26.2
161.04469	1.4
161.05974	6.9
163.03902	2.4
164.04681	3.2
165.05458	0.3
168.04242	0.3
169.05913	0.2
173.05968	3.2
174.06822	1.4
175.07556	24.1
176.04703	0.6
176.07864	0.4
177.05487	5.2
178.06264	12.3
179.03462	0.3
189.86076	0.2
192.06099	0.5
192.07840	6.6
193.08633	2.4
225.10857	0.2
227.15610	0.3
264.52814	0.2
271.02475	1.2
287.01990	0.8
299.12799	0.3
314.11600	0.9
316.02356	2.2
317.02954	0.3
329.13962	100.0
330.14252	3.1
359.15039	4.5
390.57294	0.3
463.08981	0.5
521.09265	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	521.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55487	0.5
57.03314	0.3
57.08366	0.2
58.54182	0.6
59.01241	2.9
59.11638	0.3
67.72768	0.3
71.01238	2.8
73.02815	1.4
83.01247	0.4
85.02810	1.2
87.00728	0.7
89.02303	0.8
93.03325	0.7
94.54086	0.2
96.95886	0.6
98.02319	0.3
98.77392	0.3
99.00713	0.6
101.02306	2.5
108.02026	0.7
108.36027	0.3
109.02856	0.3
113.02303	1.4
119.03407	0.3
121.02823	3.4
122.03625	1.4
123.00801	0.6
123.04388	0.4
124.01538	0.6
135.04431	0.9
136.05162	1.5
137.02347	0.6
137.05959	0.9
143.03368	0.4
143.04895	0.8
147.04381	2.2
149.02321	1.2
150.03094	2.2
151.04007	0.3
152.01024	0.8
152.03407	1.1
153.03760	0.5
153.05453	0.5
155.03340	0.5
158.03629	3.0
159.03081	0.3
159.04390	7.7
159.05684	0.5
160.05186	28.0
160.10925	0.4
161.04478	1.7
161.05977	7.9
163.03932	2.8
164.04691	3.6
167.03403	2.5
173.04468	1.8
173.05994	3.5
174.06802	1.7
175.01755	0.4
175.07552	27.0
175.13945	0.3
176.04698	0.8
176.07915	0.7
177.05489	4.6
178.06264	13.3
179.03392	0.6
192.07835	5.9
192.09544	0.5
193.08604	2.7
225.95331	0.3
264.16663	0.3
284.10693	0.3
294.19122	0.3
314.11563	0.9
329.13950	100.0
330.14279	3.9
347.11212	0.4
347.17218	0.3
359.15036	3.3
418.06552	0.4
461.20349	2.4
521.25977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2031
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
58.01167	0.2
59.01278	0.8
59.63668	0.2
61.18324	0.2
71.01242	1.8
73.02840	0.4
81.03358	0.4
83.01289	0.4
84.12275	0.2
85.02834	1.0
86.17921	0.3
87.87875	0.4
89.02340	0.3
90.46649	0.2
91.75946	0.3
95.01306	0.3
96.95936	0.8
99.00778	0.4
101.02294	1.2
108.01460	0.3
108.02012	1.1
109.02814	14.7
111.04412	0.5
113.02377	0.8
121.02875	0.3
123.00842	0.6
123.04391	1.1
124.01563	0.3
125.02313	4.8
135.04439	0.3
137.02330	2.1
139.03917	1.3
143.03487	0.3
145.23230	0.2
147.04520	0.5
149.05971	0.3
151.03931	0.3
158.03729	0.7
159.04413	6.1
161.04547	1.2
161.05910	0.4
164.01091	0.5
165.01845	1.7
165.05495	0.4
167.03410	1.4
171.04501	0.4
173.05977	5.5
175.03964	0.4
177.01933	0.5
177.05545	0.8
179.03419	1.7
185.06070	0.4
187.07599	0.3
188.04825	0.5
188.97180	0.3
189.05499	5.6
189.07059	0.4
190.06282	0.5
191.07039	2.8
201.05576	0.7
203.07094	2.5
205.08794	0.6
213.05629	0.9
218.05736	0.3
219.06572	1.2
221.04568	0.9
224.04837	0.4
225.05626	0.6
227.07156	0.3
237.05595	0.4
240.04301	2.6
241.05042	12.2
243.06760	0.4
251.07266	0.3
255.06619	7.2
255.09171	0.4
256.07404	0.5
261.07788	0.3
265.08765	0.9
267.06625	1.6
268.07523	0.6
269.08240	2.2
271.09799	0.4
281.08264	1.2
283.09827	0.8
295.09775	0.9
297.07632	0.3
298.08438	1.2
299.05719	0.5
299.09256	8.6
305.06668	9.0
313.10837	10.1
314.11362	0.5
326.11703	0.5
327.12552	0.8
328.09518	0.5
329.10272	4.4
342.44376	0.2
343.08112	0.7
343.11810	3.1
344.12668	35.5
345.12936	1.2
359.15030	100.0
360.15390	3.0
435.43375	0.3
461.20551	0.2
485.14444	2.5
521.20160	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2183
Annotation	Carpelastofuran
Peak:m/z	Relative Intensity
56.95515	1.7
58.09890	1.7
59.01013	1.8
59.01245	19.8
70.44724	1.7
77.60966	1.8
79.86760	1.8
96.95858	2.0
149.51178	2.2
205.66771	2.5
296.10428	3.3
316.07489	2.7
363.15866	2.5
389.13705	3.3
390.14783	4.6
401.13864	8.0
457.20206	5.4
461.23914	8.6
473.19894	5.3
475.21240	8.4
485.19693	6.7
503.20862	28.2
521.21814	100.0
522.22003	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	521.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58440	0.3
53.19061	0.4
54.29876	0.3
58.15226	1.6
58.15533	0.9
59.01235	0.7
59.61943	0.5
63.98430	0.4
78.95753	0.4
83.04881	0.5
88.88837	0.5
96.95877	0.5
97.06478	0.5
99.08013	0.7
99.74638	0.5
101.05963	0.8
103.42613	0.5
119.04857	0.6
121.06469	0.7
123.04374	3.2
123.12656	0.4
130.60793	0.4
133.02821	1.9
134.03659	0.6
135.04382	0.7
136.05215	0.8
147.04410	11.8
148.05193	3.6
149.05975	11.2
150.03221	0.5
152.99521	0.5
159.04404	0.5
160.01535	1.4
161.05936	1.0
162.06866	0.7
171.04420	1.3
172.05182	4.0
173.05963	1.3
174.03160	1.1
174.06734	1.5
175.03931	5.5
185.05888	0.7
186.06769	0.6
187.03987	0.7
188.04713	9.6
189.05498	7.3
189.09145	1.7
202.06305	1.3
202.09953	0.9
203.10625	0.6
205.12300	1.0
215.10732	2.8
217.08673	14.0
217.12157	3.8
218.09505	0.5
231.10272	12.6
232.11026	100.0
233.11798	61.6
234.12199	1.3
244.11057	1.3
245.11824	18.1
257.12085	0.5
258.08997	2.1
259.09741	2.4
265.08664	0.7
276.10068	1.2
277.10904	4.2
282.35757	0.5
291.10028	0.7
292.07404	2.1
293.08295	2.7
294.09155	0.5
307.09769	0.9
308.10446	0.7
309.11368	4.3
332.10501	0.7
335.09219	0.9
375.15955	2.8
377.13864	3.3
378.14725	0.6
393.17072	5.8
429.26517	0.7
447.27573	1.0
459.21893	1.5
461.24646	1.1
477.22824	20.2
478.23193	0.8
503.21118	1.0
521.21808	1.6
521.31134	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	521.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40365	1.2
57.61113	1.2
59.01235	3.0
59.61600	1.3
61.15681	1.2
104.43861	1.4
115.15804	1.3
121.06476	3.6
123.04357	2.7
123.08003	2.6
131.04872	1.6
136.05186	1.4
137.23660	1.4
140.85216	1.4
147.04402	13.9
148.05157	3.0
149.05942	12.6
156.62552	1.5
159.04437	1.9
160.05128	1.9
161.05945	1.7
172.05197	4.6
173.05959	2.3
174.03058	2.0
174.06754	1.8
175.03912	5.5
187.03920	2.2
188.04713	13.5
189.05489	5.1
189.09172	2.7
196.27063	1.5
199.64296	1.7
202.06248	2.7
205.12248	20.4
208.92758	1.4
215.10811	3.2
215.92097	1.4
216.04350	1.7
217.08701	17.0
217.12125	7.6
231.10266	22.3
232.11011	100.0
233.11787	48.0
238.84787	1.5
244.10963	12.0
245.11816	32.6
245.14345	2.1
258.09012	2.1
259.09723	31.1
276.10049	9.1
277.10898	6.1
292.07364	2.8
293.08200	10.3
307.09775	4.1
308.10666	3.6
321.07776	4.3
325.12027	1.5
334.08435	3.7
352.80017	1.5
370.92206	1.5
375.16129	2.8
377.13901	10.6
393.17038	4.6
414.48584	2.0
420.15656	2.3
427.08710	1.7
461.24210	3.3
477.22821	32.8
503.20868	5.2
521.21820	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	3.4
62.16994	1.1
71.01238	2.1
73.02818	1.2
78.32855	1.0
79.16030	1.1
96.95870	2.4
100.99572	1.4
101.02305	100.0
102.02621	1.2
109.02853	1.2
111.65257	1.3
123.04373	1.8
132.16122	1.4
151.00266	1.8
152.01064	3.0
187.53223	1.3
207.31158	1.5
247.07712	1.9
259.09689	1.5
262.06262	1.7
263.07208	3.0
275.84753	1.3
277.04996	2.5
291.06647	28.5
292.07382	16.7
320.10651	2.0
334.12216	5.1
346.76764	1.8
366.11078	7.3
376.13162	9.0
414.53857	1.4
419.18723	75.3
420.19110	3.7
422.13919	1.9
423.59149	1.6
461.24078	6.3
477.22903	2.5
519.72693	1.9
521.21991	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30390	2.0
58.00457	2.3
59.01242	96.8
61.98661	2.2
63.73938	2.0
69.03312	3.0
71.01248	28.0
73.02806	100.0
81.03298	5.8
83.01244	24.6
85.02795	5.0
89.02293	5.8
91.22009	2.4
96.95874	3.3
99.04384	8.0
101.02303	85.8
113.02317	13.7
115.03870	7.8
119.03369	3.2
131.03368	6.1
133.23801	2.3
135.79456	2.7
143.03381	5.0
149.04425	5.4
155.03401	2.8
161.04453	24.7
162.83807	5.3
193.15897	26.5
203.05690	2.5
214.92174	2.5
221.06616	2.6
237.14983	11.4
255.15965	7.1
286.46353	2.7
477.23453	67.6
478.24054	2.9
490.15857	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46692	0.4
55.01747	1.1
57.03304	1.2
58.95153	0.4
59.01243	29.1
61.25840	0.5
65.82866	0.4
69.03302	1.0
71.01240	22.7
72.19640	0.4
72.59650	0.4
72.99158	1.7
73.02802	12.9
75.00688	0.5
78.95757	0.9
79.95589	1.1
83.01244	8.1
85.02293	0.8
85.02805	13.3
87.00748	0.6
89.02302	4.3
94.45950	0.6
95.01231	1.5
96.95869	65.1
97.02811	1.5
99.00740	4.8
101.02304	31.3
102.53447	0.5
103.03871	1.3
103.39282	0.5
113.02303	13.6
113.05875	0.5
114.59077	0.5
124.39511	0.6
125.02306	2.4
135.04407	1.8
143.03438	2.3
145.05000	0.6
148.39534	0.6
151.12280	0.5
159.02882	3.6
161.03168	1.1
161.04457	15.8
161.05794	0.9
163.06053	1.3
165.05467	1.4
172.48306	0.5
189.37521	0.6
205.07098	0.5
213.76202	0.5
235.35681	0.5
254.75555	0.7
307.06171	0.6
315.18164	30.6
316.18390	1.1
330.64584	1.3
356.93137	0.8
426.90378	0.6
461.23969	100.0
462.24326	5.1
473.16049	1.8
521.25946	0.8
521.33374	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.3
57.03318	1.0
58.00469	0.2
59.00048	0.4
59.01244	24.9
67.01754	0.2
69.03312	0.7
70.99653	0.4
71.01241	22.7
72.99155	0.6
73.02805	10.9
75.00726	0.3
79.29441	0.2
81.03339	0.3
83.01240	6.8
85.02805	12.1
85.99907	0.2
87.00746	0.9
87.02647	0.2
89.02302	2.7
91.72713	0.4
94.45972	0.3
95.01247	1.5
96.95851	0.5
97.02827	1.3
97.03342	0.2
98.95451	0.3
99.00738	3.7
101.02305	27.3
103.03846	1.2
111.00734	0.3
113.02306	11.4
115.03880	0.4
119.03350	0.4
125.02319	1.8
127.03956	0.2
129.01804	0.7
131.03448	0.2
141.01794	0.2
143.03362	1.9
145.04958	0.4
153.12767	0.5
159.02895	3.2
161.04451	16.4
162.04718	0.2
163.06032	0.9
165.05536	0.3
219.03288	0.2
223.13412	0.3
229.07248	0.5
230.95364	0.2
247.08203	0.7
267.06564	0.2
307.10611	0.2
315.18164	30.1
316.18469	0.7
356.92987	0.3
376.92966	0.2
400.64032	0.2
405.38647	0.2
448.97739	0.2
458.62650	0.2
461.23975	100.0
462.24335	5.4
462.60889	0.2
488.24683	0.3
505.22827	0.3
521.26074	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90504	6.0
59.01236	18.8
61.98678	14.5
73.02822	8.2
78.95774	17.5
96.95866	10.5
101.02331	10.7
111.95625	6.1
112.97443	6.4
123.04384	61.5
149.06012	13.6
152.99522	23.1
177.19664	8.0
187.04025	9.4
193.82140	8.0
233.11858	8.6
259.09805	16.3
261.11432	17.7
274.99747	8.2
276.71469	8.0
310.12048	27.7
323.16772	17.4
330.08908	17.5
339.15918	9.0
353.17770	37.1
361.14511	23.9
373.14435	82.0
374.14874	12.6
375.15881	9.5
391.15598	33.6
441.20770	10.0
447.21887	28.3
459.21814	56.8
461.24210	28.4
477.22913	100.0
503.20468	10.5
521.21863	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	521.304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27481	7.6
59.01241	25.8
63.14265	7.9
71.01233	13.3
78.95762	9.9
83.19231	10.1
88.10809	9.8
90.58655	10.3
92.58132	10.0
96.95875	16.2
144.84962	11.3
146.05605	10.5
151.98502	11.0
152.99481	35.1
177.52205	11.2
179.49619	13.6
183.81085	11.4
231.10384	11.7
241.35992	11.7
259.09729	21.5
269.07877	11.1
278.04605	11.5
293.08215	16.2
315.18225	16.7
337.07114	18.4
421.12888	17.3
459.21695	14.8
461.23788	41.7
477.23120	21.4
503.21103	15.4
521.21680	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	5.8
59.01233	15.0
61.98692	5.3
69.01512	4.4
71.01239	5.0
73.49302	4.3
99.07999	5.3
123.04335	8.8
124.85107	5.0
125.51238	5.4
127.66474	4.6
131.68506	5.0
147.04378	9.8
149.06000	6.3
201.75781	5.7
215.10789	11.5
217.08685	5.0
225.05724	6.1
231.10313	6.6
233.11810	44.0
245.11717	6.1
259.09790	66.5
260.10345	6.9
261.11319	60.7
261.71051	5.5
265.08725	8.8
275.09213	9.1
276.10144	7.2
315.18021	6.4
393.17084	10.1
459.21765	15.9
461.24130	15.3
474.82709	5.5
477.22711	52.9
521.21729	100.0
522.22308	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	521.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.8
63.46962	0.6
92.35204	0.7
94.81002	0.7
106.04105	0.7
122.65664	0.9
133.02933	1.5
134.03613	55.0
135.03990	0.8
137.02312	6.1
139.03891	1.4
149.05966	16.3
160.01572	1.6
175.03981	0.9
178.02638	32.2
193.04990	100.0
194.05400	1.4
210.77870	0.8
216.56593	0.8
229.01222	0.8
280.13278	0.9
283.46725	0.8
308.82352	1.0
521.31207	11.7
522.31067	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.3
61.63409	1.6
69.12907	1.4
73.95048	1.5
78.95764	2.8
84.45618	1.8
85.02792	1.8
105.03313	10.1
132.02066	3.9
133.02834	49.8
134.03642	12.4
135.04401	3.1
137.02289	2.3
148.05180	3.7
149.05975	1.9
149.42265	1.8
158.71605	1.9
160.01540	21.7
161.02367	18.3
161.05936	2.6
175.03926	62.4
175.05434	3.8
177.01903	3.4
178.02596	2.9
193.04959	4.2
213.83017	2.0
247.09665	2.0
271.22827	8.6
279.23450	2.2
289.14539	2.6
303.15979	2.4
317.17618	2.1
345.20844	4.4
361.27863	2.2
373.23856	2.9
415.24838	10.6
429.26450	24.6
433.25510	2.2
447.27585	38.0
461.23959	6.1
506.28912	3.0
521.23199	3.4
521.31201	100.0
522.31378	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	521.312
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52965	0.6
59.01228	0.6
101.88300	0.7
106.04079	0.9
121.02821	1.6
133.02823	1.5
134.03615	50.5
135.03967	1.1
137.02362	6.4
139.03909	1.8
149.05971	16.3
160.01672	0.9
175.04039	1.1
178.02632	30.9
179.02890	1.2
193.04997	100.0
194.05342	1.7
231.91487	1.3
252.93645	1.4
297.22119	1.1
308.99615	0.8
341.21225	2.9
390.44986	0.9
391.94772	0.7
486.10181	1.9
492.64575	0.9
521.31409	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	521.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17490	0.5
58.71903	0.7
59.01252	1.4
70.16440	0.9
71.01254	0.8
78.95779	1.0
91.03851	0.8
91.73294	0.7
92.46227	0.6
95.04890	1.8
101.02303	0.6
105.03332	10.3
110.29829	0.7
117.63530	0.6
123.04399	1.3
132.02016	3.5
133.02837	41.7
134.03618	10.2
135.04411	4.4
137.02321	3.4
139.03967	0.9
147.04411	1.0
148.05191	3.2
149.05927	1.3
152.99516	2.3
158.07216	1.3
159.95567	0.7
160.01556	24.0
160.05177	0.8
161.02339	18.6
161.04660	1.0
161.05930	4.0
162.03136	1.0
162.76593	0.6
175.03918	56.7
176.04277	1.2
176.82822	0.7
177.01880	2.4
178.02663	2.8
179.03430	2.2
193.04988	5.1
195.71329	0.8
204.11446	0.7
233.08318	1.2
247.09720	1.7
259.09738	2.3
261.11288	1.4
271.22797	7.9
289.14468	1.4
299.19925	1.2
303.15979	2.2
307.87802	0.7
317.17554	1.7
325.18378	0.8
327.19983	1.1
331.19214	2.0
345.20618	4.2
347.25955	1.3
361.27594	2.8
415.24924	11.2
429.26514	18.4
430.26569	0.9
433.25876	2.4
447.27557	35.7
448.27606	1.4
461.24396	2.1
506.29065	3.2
521.31238	100.0
522.31525	6.5
543.23309	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29347	0.3
53.78551	0.3
56.80059	0.4
57.03283	0.5
59.01240	25.4
60.01554	0.8
61.01657	0.7
61.89181	0.4
61.98693	2.2
65.72909	0.4
71.00874	0.7
71.01235	8.2
72.99158	1.0
73.02810	4.2
78.95744	0.5
81.10124	0.4
83.01234	2.1
85.02814	3.7
87.00744	1.1
89.02296	4.5
95.01216	0.6
96.95863	4.7
99.00714	0.7
101.02305	6.8
102.02630	0.7
110.96364	0.5
111.00710	0.6
113.02313	3.6
114.05488	0.5
115.03862	1.3
119.03345	1.4
134.02554	0.9
142.62564	0.5
152.36353	0.5
152.37662	0.6
152.64560	0.5
185.11726	0.6
193.15926	0.6
252.21463	0.5
313.23755	2.7
341.26920	3.6
357.26382	0.6
359.28055	21.1
360.28357	0.7
401.20862	1.1
427.75040	0.5
461.23511	1.5
503.32550	2.3
521.33325	100.0
522.33691	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	522.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00967	0.3
59.01243	3.9
59.01521	0.4
60.01582	0.3
61.01673	0.2
61.25946	0.2
61.97523	1.2
61.98693	100.0
62.00047	1.7
71.01240	2.8
72.01567	0.3
73.02805	1.1
75.00732	0.4
82.95287	0.4
83.01246	0.6
84.01598	0.3
85.02803	1.4
87.00743	0.3
89.02310	0.8
94.22231	0.2
96.95873	3.0
97.02797	0.3
99.00740	0.5
101.02297	2.3
102.02662	0.6
103.02743	0.4
103.03876	0.2
109.02842	0.2
110.80111	0.2
113.02335	0.9
114.02650	0.3
115.02710	0.3
125.02296	0.8
125.25841	0.2
135.00665	0.2
135.04282	0.2
139.03940	0.2
141.63084	0.2
149.04527	0.3
161.04422	0.9
162.04816	0.3
163.04990	0.3
165.05566	0.2
177.01878	0.2
181.01222	0.2
223.38541	0.2
293.08813	0.4
313.16577	0.3
314.16925	1.0
315.17203	1.3
316.17377	0.9
367.20514	0.2
459.22217	0.3
460.22684	0.8
461.22958	3.9
462.23279	4.9
463.21918	2.1
523.12988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81425	0.5
57.02163	0.5
57.03317	23.3
59.01242	16.8
59.56422	0.4
66.61328	0.5
71.00870	0.8
71.01237	12.0
73.02807	2.7
79.95599	3.4
80.96371	1.5
81.03319	0.6
82.95277	1.0
83.01237	1.6
85.02808	5.0
87.00735	2.1
89.02297	5.2
95.01231	0.7
96.93382	1.0
96.95870	69.4
96.98685	0.8
97.02802	0.9
99.00729	2.1
99.04375	27.2
101.02302	17.5
108.02023	0.5
109.02816	0.9
113.02308	5.2
119.03387	0.6
119.04896	0.7
121.06451	1.1
122.03600	7.3
123.04391	0.5
123.10091	0.5
125.02338	4.9
127.12302	0.6
131.03360	1.2
135.04410	0.8
137.05959	6.4
138.96991	0.6
143.03384	1.0
147.04401	1.8
149.04443	1.5
149.26707	0.5
150.96938	3.2
151.03905	0.8
159.02917	0.9
161.04457	15.7
161.05801	0.8
164.07057	6.3
165.05447	1.7
167.03366	0.6
177.94025	1.1
179.03403	0.9
185.31105	0.5
190.96590	0.6
191.05557	2.8
192.96342	0.8
222.99075	1.0
225.00685	5.9
241.00209	9.0
281.08383	0.6
283.01306	1.7
293.08765	1.2
298.96436	1.7
313.11075	0.8
323.04468	1.0
331.17627	7.4
361.05978	1.5
361.22229	0.9
379.07068	8.1
385.04483	0.6
461.11060	3.4
463.08954	1.5
463.21857	16.9
487.17310	0.6
498.15338	0.5
500.69702	0.6
523.11267	100.0
524.11810	4.3
524.24817	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	523.1251
Annotation	Mayoside
Peak:m/z	Relative Intensity
53.20139	0.8
55.01743	0.8
59.01239	6.1
60.01573	0.9
61.98697	1.6
62.82421	0.8
71.01232	6.7
72.99149	1.5
73.02803	1.9
73.78738	0.8
78.95802	1.1
79.95582	0.9
82.95261	2.5
83.01250	1.2
85.02804	2.8
87.84283	1.0
89.02295	3.4
93.03305	1.5
96.95864	34.7
98.95451	3.1
99.00711	2.1
99.48076	0.9
101.02296	5.5
109.02806	2.8
113.02296	3.2
116.89435	0.9
121.02805	1.4
125.02298	3.2
133.02878	1.3
134.03615	20.6
135.04405	7.1
137.02321	3.7
149.06003	5.1
150.03069	1.1
152.01045	1.6
161.04390	2.0
165.05466	5.4
167.03386	5.8
173.04532	1.0
177.01892	2.0
178.02649	11.8
179.03378	6.4
193.05038	12.3
200.04642	2.4
212.04770	1.4
213.01837	4.1
214.02650	1.4
214.92198	0.9
215.03586	0.9
227.03413	5.6
228.04243	3.7
239.03488	2.1
240.04292	1.3
242.02234	1.8
243.03023	1.5
255.02910	5.1
256.03754	14.4
267.03125	2.5
268.03821	3.9
269.04517	2.8
270.01617	2.9
270.05435	1.7
271.02451	3.4
271.05267	1.0
271.23276	1.1
281.04401	2.4
284.03287	24.9
285.03952	6.1
285.13434	4.2
295.02313	1.5
296.03192	7.3
297.04053	3.9
298.04697	7.9
299.05606	44.3
300.06085	2.4
311.05679	8.7
312.06366	2.6
313.07199	15.5
328.05811	1.3
329.06677	15.1
331.17554	4.8
343.08188	2.7
351.14600	1.9
361.22287	1.7
425.14355	3.1
463.21808	15.7
475.10352	1.6
505.11646	2.9
523.12512	100.0
523.21021	4.2
524.12738	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32502	0.4
59.01231	1.8
67.86398	0.4
68.99683	1.5
70.76544	0.6
71.01240	2.0
72.99165	22.6
75.00731	1.5
81.03320	0.8
85.02815	1.2
87.00746	1.4
87.12987	0.4
89.02319	0.7
90.74195	0.4
93.00857	1.1
93.03313	100.0
93.05500	1.3
94.03648	0.8
96.95903	1.1
99.00741	1.6
101.02308	1.7
103.00260	0.8
107.04923	0.6
113.02364	0.5
119.04887	8.3
121.02800	1.4
123.04385	0.9
133.06439	0.9
135.04312	0.6
143.04924	1.5
145.02820	1.5
146.08118	0.5
147.04424	5.3
149.05974	2.4
159.04448	1.7
161.04517	0.8
161.05951	8.0
165.05501	1.0
175.03912	1.3
177.05476	37.4
178.05910	0.8
187.03954	0.8
193.04794	0.6
199.07579	4.4
204.99710	0.8
205.05092	0.7
211.07632	3.3
213.09155	10.6
239.06952	0.6
241.08669	4.7
255.10197	3.7
271.09750	25.6
272.10272	0.9
272.59561	0.5
278.18082	2.0
285.07703	1.4
287.09277	2.2
299.09372	2.5
317.09888	0.7
361.09406	1.1
380.15433	1.0
433.15033	2.9
447.12869	4.9
449.14355	1.7
461.14603	1.2
463.21936	2.3
523.14587	90.3
524.14526	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	523.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76169	0.1
55.56580	0.1
55.88667	0.3
56.83475	0.2
59.01244	1.7
61.78469	0.3
61.98690	0.2
66.88641	0.2
68.99683	0.1
69.03320	0.2
71.01247	2.0
73.02800	0.8
76.98301	0.2
83.01237	0.5
85.02803	0.8
87.00731	0.4
89.02290	1.4
90.36125	0.1
93.03311	3.4
95.01240	0.4
96.95875	0.3
99.00733	0.6
101.02300	1.2
106.00446	0.2
107.04881	0.3
108.02039	2.3
109.02840	1.0
111.00725	0.9
113.02290	0.9
119.03379	0.3
120.02086	0.2
121.02822	16.7
121.99999	0.5
122.03605	37.4
123.00763	1.1
123.04488	1.6
124.01534	6.2
125.02324	1.9
132.52322	0.2
134.03555	0.3
135.04395	0.8
136.01543	17.2
136.05186	3.5
137.00368	0.1
137.02361	1.7
137.05998	0.3
138.03123	0.3
139.03886	0.8
146.03613	0.2
147.04352	1.0
149.04395	0.4
149.05962	0.6
149.99413	0.4
151.03918	0.5
153.01794	0.5
153.05431	0.3
154.02611	0.4
159.04393	0.2
161.04477	0.3
163.03833	0.2
165.01831	10.2
165.05447	1.4
166.02615	27.7
167.03152	0.6
168.00533	0.5
168.04141	1.4
173.00787	0.2
175.03920	0.2
177.01813	0.2
177.05441	0.3
178.02577	0.2
179.03377	1.0
179.07091	0.4
180.04193	9.1
181.01300	0.2
181.04959	0.9
191.07112	0.2
197.11852	0.4
198.01634	25.6
198.12151	0.2
199.01942	0.6
199.03647	0.2
212.03215	9.8
213.03589	0.3
213.05537	0.2
219.06534	0.4
225.05478	0.3
226.06316	0.6
240.02832	0.2
241.04977	1.0
241.08813	0.2
242.05818	3.9
243.06564	0.3
257.08267	1.3
258.08960	4.6
259.09662	0.9
269.04440	0.2
270.05258	0.3
273.11337	6.5
274.11615	0.3
285.07684	5.2
286.04742	1.1
286.07877	0.3
301.07175	2.5
302.04648	0.4
302.07971	4.7
303.08496	0.6
305.06720	2.9
306.07001	0.3
313.10858	0.3
317.10309	100.0
318.10663	4.4
329.16083	0.3
330.16251	0.3
331.17224	0.7
343.08270	0.3
359.11411	2.7
361.12918	0.4
390.28256	0.2
462.20590	0.5
463.21878	5.4
479.15613	17.9
480.15765	1.1
485.14737	0.9
523.14563	17.6
524.14868	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.1
59.01241	3.8
60.99188	0.5
65.01399	0.5
67.01745	4.1
69.03297	0.8
71.01239	4.8
74.05014	0.5
81.03323	3.2
83.01226	0.5
83.04871	0.7
85.02783	1.7
86.30872	0.4
87.00712	0.5
89.02314	1.7
91.37005	0.5
93.03313	26.8
95.01221	0.9
96.95850	1.5
99.00711	0.9
99.04350	0.5
101.02304	1.2
107.01245	1.5
107.04930	0.6
108.02025	2.9
108.06600	0.4
109.02811	10.9
111.00730	1.4
111.04371	5.1
113.02294	1.4
119.04836	0.8
121.02817	0.6
123.00758	1.0
123.04383	0.8
124.01416	0.5
125.02333	4.7
134.03667	0.5
137.02330	4.2
147.04477	0.5
149.06013	0.9
150.03102	0.9
151.00259	10.0
152.01053	7.2
153.01823	10.7
155.03383	4.2
163.03813	0.8
165.05453	0.6
167.03406	1.0
173.04457	100.0
174.04814	1.0
177.01849	1.2
179.03403	1.4
191.05530	0.9
193.04942	0.8
195.06479	0.5
207.02954	1.8
225.03867	0.7
243.02969	0.7
267.72299	0.5
295.29169	0.6
301.07196	2.3
313.07260	1.0
327.07150	0.8
331.08252	4.3
331.17682	0.7
340.29465	0.5
349.09344	1.7
380.15836	0.8
463.21866	5.7
465.33194	0.5
496.49228	0.6
496.70404	0.5
523.14319	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	523.2188
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.09784	0.2
52.86513	0.2
58.75765	0.4
59.01240	1.4
60.99157	1.0
61.98703	0.4
64.81258	0.2
69.93359	0.2
71.01231	1.0
73.02803	0.3
85.02794	0.8
87.00745	0.3
88.38186	0.3
88.98658	10.6
89.02322	1.1
89.95135	0.2
93.03319	0.8
99.00724	0.4
101.02276	0.5
108.01997	0.5
109.02808	3.8
113.02293	0.5
121.02821	13.4
122.03606	13.1
123.04397	1.4
124.01535	0.4
129.03345	0.4
130.04066	0.3
134.03627	0.6
135.04366	1.7
136.05177	1.4
137.02321	0.9
146.03561	0.5
147.04401	6.0
148.05147	0.6
149.05948	0.9
154.02588	0.7
156.16655	0.3
161.04770	0.3
161.05965	1.7
162.06750	0.4
164.04686	0.6
165.05467	21.7
171.06448	0.3
173.05977	0.3
175.07616	0.5
178.06239	0.6
179.05527	0.5
179.07053	6.9
191.07097	0.3
195.71007	0.3
208.07446	0.3
209.08107	0.9
223.03175	0.3
223.09700	0.9
233.08136	0.4
234.08553	0.4
298.12167	0.8
313.14468	0.7
315.12393	2.1
316.13110	0.6
331.15720	0.4
343.15683	0.4
346.14218	9.5
349.18338	0.5
361.16586	100.0
361.34485	0.9
362.16809	3.0
363.29700	0.3
501.63385	0.3
523.28339	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2339
Annotation	Artelein
Peak:m/z	Relative Intensity
55.81487	1.0
57.03303	1.6
60.35864	1.1
69.03309	1.5
69.12749	1.1
78.73421	1.2
80.02531	2.3
83.04884	1.6
84.02013	1.4
85.02826	1.6
95.04849	1.7
97.02804	5.3
97.06451	2.9
99.07999	2.2
105.06964	1.4
107.04864	3.4
109.02800	5.4
109.06464	2.2
120.05611	1.4
121.02898	1.3
121.06446	2.8
123.04384	4.2
123.08025	37.7
125.09560	4.3
133.06459	10.8
135.08072	3.3
136.05226	2.3
137.02281	1.4
137.05962	22.5
138.03116	1.9
139.61220	1.3
147.04451	3.0
147.08008	2.8
148.05212	2.2
149.05974	6.0
150.23042	1.4
152.97403	1.2
153.09038	4.2
158.03706	1.8
159.04318	6.0
160.05214	3.2
161.02193	1.3
161.05995	3.6
163.03877	4.0
163.07518	2.8
165.09172	4.0
167.06992	7.1
172.05176	2.5
173.05984	7.9
174.06732	4.4
175.03925	4.1
181.08641	6.1
185.06004	2.0
186.06812	1.6
187.03976	2.5
187.07556	3.1
188.04683	4.8
189.05513	2.7
189.12764	2.8
193.08559	2.0
197.05995	3.7
200.04752	4.2
201.05510	8.8
201.09184	1.7
202.06293	4.3
202.09937	7.8
203.07051	3.1
203.10672	2.8
205.12244	4.0
207.10150	1.7
211.07547	2.2
213.05487	1.4
213.09189	4.5
215.10674	2.7
217.08684	4.5
217.12283	51.4
219.10254	1.7
225.05562	3.7
225.09200	1.4
226.06268	4.4
227.06998	1.6
229.08707	4.4
229.12274	3.2
231.10243	13.3
232.10973	6.9
233.11787	37.3
237.11307	3.0
244.10950	2.3
245.11816	74.5
246.12355	1.8
247.13341	3.4
253.08679	2.1
257.11868	2.4
259.09781	17.7
259.13406	5.1
260.10471	1.9
261.11356	18.2
269.11871	11.6
271.13281	1.5
273.07666	4.8
273.11041	1.6
277.10901	4.7
282.12622	5.2
283.13358	3.2
285.11380	12.5
287.12924	5.8
295.13336	2.5
297.11752	1.5
297.14954	20.8
301.14465	1.7
309.15192	2.2
309.45419	1.4
311.13016	2.9
313.14255	1.8
315.12234	1.6
329.14072	1.7
335.12939	1.9
337.14499	5.4
341.10159	1.5
341.13849	7.7
355.15384	1.8
355.19101	10.5
367.15521	30.0
368.15640	1.6
393.20724	4.3
409.20544	2.4
419.18607	2.2
421.20148	5.1
428.46313	1.5
437.63968	1.8
447.18268	6.0
448.18692	2.3
459.21875	1.7
461.23120	6.0
477.22943	7.2
479.24493	2.9
487.21161	3.9
488.20956	1.6
495.23749	10.3
505.22409	41.0
506.22501	1.8
523.23376	100.0
524.23889	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	523.234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	1.3
61.98682	2.8
69.65141	0.6
70.64337	0.7
73.97523	0.6
74.66317	0.7
77.03831	1.0
83.01239	1.5
91.20052	0.6
93.03316	2.3
95.01264	0.9
96.02039	0.7
96.95848	2.1
97.02813	1.0
98.95388	0.7
109.02808	4.6
111.04395	1.0
121.02824	4.4
123.00746	1.8
124.01534	3.5
125.02293	6.0
135.04393	1.1
137.02321	30.9
138.03105	67.7
138.07338	0.9
139.03888	5.9
147.04391	1.2
148.54871	0.8
149.05984	0.8
150.03105	1.0
151.00258	1.3
151.03883	2.6
152.01035	0.9
153.01816	1.2
161.02319	1.1
164.01057	9.6
165.01830	100.0
165.05486	2.5
166.02560	0.9
166.05812	0.9
167.03426	2.6
170.02110	7.7
173.04514	0.9
173.05925	0.9
175.03842	1.0
177.01865	1.7
178.02634	1.3
179.03412	12.5
193.04884	0.7
196.71230	0.9
197.27098	0.8
203.03516	1.4
217.05042	0.9
218.05733	1.1
219.06487	1.9
221.04544	2.3
246.83450	0.9
259.06461	0.8
304.05887	20.8
317.17554	1.6
343.19147	1.5
355.19135	1.6
361.09375	1.4
383.18665	5.9
397.20190	2.1
479.24301	2.3
523.16132	3.7
523.23334	44.2
524.23779	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.234
Annotation	Vielanin C
Peak:m/z	Relative Intensity
59.01228	1.3
61.98682	2.8
69.65141	0.6
70.64337	0.7
73.97523	0.6
74.66317	0.7
77.03831	1.0
83.01239	1.5
91.20052	0.6
93.03316	2.3
95.01264	0.9
96.02039	0.7
96.95848	2.1
97.02813	1.0
98.95388	0.7
109.02808	4.6
111.04395	1.0
121.02824	4.4
123.00746	1.8
124.01534	3.5
125.02293	6.0
135.04393	1.1
137.02321	30.9
138.03105	67.7
138.07338	0.9
139.03888	5.9
147.04391	1.2
148.54871	0.8
149.05984	0.8
150.03105	1.0
151.00258	1.3
151.03883	2.6
152.01035	0.9
153.01816	1.2
161.02319	1.1
164.01057	9.6
165.01830	100.0
165.05486	2.5
166.02560	0.9
166.05812	0.9
167.03426	2.6
170.02110	7.7
173.04514	0.9
173.05925	0.9
175.03842	1.0
177.01865	1.7
178.02634	1.3
179.03412	12.5
193.04884	0.7
196.71230	0.9
197.27098	0.8
203.03516	1.4
217.05042	0.9
218.05733	1.1
219.06487	1.9
221.04544	2.3
246.83450	0.9
259.06461	0.8
304.05887	20.8
317.17554	1.6
343.19147	1.5
355.19135	1.6
361.09375	1.4
383.18665	5.9
397.20190	2.1
479.24301	2.3
523.16132	3.7
523.23334	44.2
524.23779	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32169	0.5
51.48602	0.5
57.03315	1.5
59.00065	0.8
59.01242	36.8
63.07467	0.5
69.03274	0.7
71.01239	33.1
72.99158	0.9
73.02402	0.6
73.02806	11.4
75.00714	0.8
78.70599	0.5
83.01234	3.2
85.02805	7.7
87.00737	1.2
89.00101	0.8
89.02296	41.4
93.03298	0.9
95.01263	1.4
96.95878	6.2
97.02813	1.3
99.00157	1.0
99.00743	9.1
99.04356	0.9
101.02303	28.0
101.85829	0.8
108.02007	0.9
109.02802	1.9
111.00742	0.7
113.02315	11.2
113.23812	0.5
115.03893	0.6
119.03376	7.0
121.02811	3.4
122.03611	4.0
123.04450	0.7
125.02319	4.1
131.03375	6.5
132.71263	0.7
135.04410	1.9
136.05098	0.6
137.02293	1.6
140.81516	0.7
141.12753	1.1
142.69812	0.7
143.03395	2.2
147.04391	0.9
149.04443	16.4
151.00227	0.8
151.03873	0.6
153.01909	0.7
159.02950	1.0
161.04443	8.6
165.05484	7.3
167.03406	2.0
173.04428	2.2
177.01826	1.4
179.05554	1.6
179.07040	2.5
180.07887	1.5
181.99059	0.7
187.13356	5.4
191.05556	4.9
194.09288	0.7
233.06656	1.3
246.59709	0.7
251.07741	1.9
255.03107	0.7
282.24112	1.3
293.09042	0.7
317.13895	8.4
331.17648	18.8
332.18088	0.8
346.14322	2.3
349.18619	12.4
355.59265	0.8
361.12177	1.3
361.16599	23.6
375.16690	0.7
463.21887	100.0
464.22452	4.7
523.16003	1.7
523.23834	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	523.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54641	0.2
52.65845	0.2
57.03304	1.1
58.00452	0.8
59.00045	0.7
59.01241	37.5
61.98676	0.5
69.03288	0.5
70.99660	0.5
71.01238	28.0
72.01591	0.5
72.99157	0.9
73.02802	11.7
75.00726	0.8
81.03316	0.6
83.01236	3.3
85.02808	7.9
87.00755	1.4
89.00100	0.6
89.02295	45.7
89.19497	0.3
93.03314	0.5
95.01232	1.6
97.02805	1.3
99.00735	13.4
99.04335	0.4
100.99654	0.5
101.02299	29.4
102.02673	0.6
109.02811	0.5
111.00736	4.0
113.01553	0.6
113.02308	10.9
115.03880	0.9
116.75194	0.3
119.03368	8.9
121.02824	1.0
122.03603	3.6
123.04388	1.1
124.01532	0.6
125.02315	2.9
129.01810	0.5
131.03383	6.9
135.04364	0.4
136.01535	1.3
142.69792	0.7
143.03357	1.7
143.06067	0.3
149.04439	20.8
150.85400	0.3
151.07536	0.9
157.85220	0.3
159.02902	0.8
161.04431	3.2
165.01779	0.8
165.05420	0.4
166.02608	2.4
167.03375	0.8
173.00807	0.3
177.05594	0.3
179.03510	0.4
179.05519	2.4
180.04230	0.6
191.05537	7.5
191.80544	0.3
193.05025	0.3
198.01614	2.4
205.83736	0.3
209.58162	0.3
212.03252	1.0
221.06654	1.2
233.06615	0.9
251.07669	2.6
258.08987	0.4
273.11249	0.7
282.23917	0.8
285.07892	0.4
293.08856	1.0
302.07858	0.6
311.09662	0.5
317.10309	9.6
318.10788	0.7
331.08273	0.8
331.17575	3.8
343.08231	0.5
355.59528	0.4
361.09290	1.0
461.12442	0.4
463.21893	100.0
464.22260	4.1
479.15710	1.5
523.14417	3.1
523.21222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.24
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04628	0.3
51.47953	0.3
54.94474	0.3
55.01760	0.6
57.03303	0.7
59.01243	20.6
69.03292	0.6
71.01239	20.6
71.02798	0.3
72.99150	0.8
73.02404	0.4
73.02808	8.0
75.00766	0.5
83.01240	2.3
85.02808	6.8
87.00733	1.4
89.02297	25.0
93.03310	0.8
95.01263	0.9
96.95877	2.0
97.02813	1.1
99.00741	8.5
101.02303	20.0
102.02611	0.5
109.02812	1.1
111.00748	3.0
113.01540	0.7
113.02309	9.3
115.03900	0.4
119.03368	6.5
119.04832	0.5
125.02323	4.2
129.03299	0.6
130.12990	0.4
131.03391	3.2
134.03619	0.6
135.04370	0.6
137.02301	1.2
139.03867	0.4
142.69804	0.4
143.03366	1.7
146.03638	0.8
147.04414	3.6
149.04442	5.0
149.05914	1.6
151.03841	0.6
159.02907	1.2
161.04462	5.2
161.05833	0.8
162.26332	0.4
163.03856	1.1
164.04671	1.5
165.01819	0.7
165.05479	6.3
167.03369	0.8
170.30836	0.4
173.00882	0.5
177.01851	0.8
177.05515	0.4
179.03403	0.6
179.05511	1.0
179.07060	3.9
191.04037	0.5
191.05516	2.6
191.80580	0.6
208.65666	0.5
219.06526	1.2
233.06625	0.8
240.04184	0.5
270.64911	0.4
271.06104	0.5
282.23941	0.5
305.06763	2.6
313.10812	1.6
317.10498	0.5
325.10953	0.5
327.11133	0.4
331.17679	9.6
343.12048	1.0
344.12732	0.5
345.12778	0.4
346.13101	0.9
359.14966	1.1
360.15164	1.3
361.16122	2.7
391.11938	0.5
463.21893	100.0
464.22272	4.5
485.14575	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63903	0.3
57.03329	0.8
57.92214	0.3
58.99994	0.4
59.01244	14.1
67.01736	0.4
69.03348	0.6
70.99599	0.4
71.01241	21.2
73.02800	8.9
73.27789	0.4
75.00735	0.7
79.95609	0.4
80.96382	0.6
83.01243	3.6
84.12447	0.4
85.02802	9.0
87.00742	1.8
89.02295	12.4
91.72707	0.6
93.03348	0.4
95.01257	1.2
96.95872	19.2
97.02808	1.2
99.00745	4.2
101.02303	21.7
107.03641	2.3
108.04433	2.7
111.00734	0.7
111.04385	0.4
113.02306	10.9
115.03886	0.9
119.03367	3.0
125.02332	2.3
131.03398	1.9
141.01863	0.5
143.03426	1.3
149.04489	1.3
151.03966	0.5
159.02890	1.7
161.04445	10.1
165.05467	0.9
174.09142	1.9
176.10721	2.1
191.05502	0.5
191.80507	0.5
192.10217	3.2
218.11546	0.5
220.09792	1.0
222.99115	0.5
233.06631	1.0
238.10831	15.5
241.00179	8.0
264.08826	1.2
282.09814	3.5
293.08841	0.5
297.82892	0.4
315.08347	0.5
331.17639	15.3
332.18088	0.7
355.59421	0.6
386.28159	0.5
401.36569	0.4
444.15256	4.7
463.21896	100.0
464.16550	0.7
464.22382	5.3
524.10864	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	523.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	2.6
58.00458	0.8
59.01242	32.8
60.74412	0.6
61.98701	1.7
69.03285	0.8
71.01238	22.5
72.99152	1.4
73.02806	8.2
75.00742	1.4
82.95261	2.7
83.01237	1.3
85.02810	5.6
87.00726	1.7
89.02296	38.2
91.65331	0.8
93.03329	1.8
96.95883	7.0
97.02798	1.0
97.03452	0.8
98.95454	1.2
99.00735	9.2
99.04358	2.7
101.02296	15.3
102.02566	0.9
106.24254	0.9
109.02776	1.8
113.02303	8.5
119.03378	6.3
121.02769	1.2
123.00793	0.9
123.04404	0.9
125.02298	4.8
131.03381	4.7
132.07121	0.9
137.02324	1.9
138.63792	0.8
138.93700	0.9
143.03415	1.8
149.04459	13.8
151.03893	1.1
152.00935	0.9
157.08531	1.0
161.04512	4.4
161.05678	1.0
165.05473	4.6
167.03391	1.8
173.04465	0.9
177.01869	1.5
179.05615	1.3
181.01421	1.5
191.05531	4.5
195.06549	1.1
204.99734	0.9
282.24185	1.0
283.16495	0.8
297.50693	0.9
301.10791	2.4
317.10455	2.0
331.17657	9.4
343.08261	2.5
379.16174	1.9
462.20685	1.1
463.21857	100.0
463.49857	1.1
464.22568	4.5
479.16138	1.3
505.90079	0.9
523.12994	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	523.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32366	0.4
57.03321	1.1
59.01243	22.0
61.97426	1.6
61.98694	100.0
62.37087	0.4
62.98397	1.6
69.03318	2.0
70.99691	0.8
71.01240	37.0
71.02625	0.7
72.01578	0.6
72.99168	2.1
73.02802	12.9
73.63248	0.5
74.60209	0.5
75.00743	2.1
81.03307	1.1
81.38338	0.6
82.95273	5.9
83.01239	3.4
85.02805	9.6
87.00744	2.0
89.02297	34.0
89.04241	0.6
89.67188	0.5
93.03323	1.2
95.01257	2.2
96.95869	30.5
97.02810	4.2
97.80636	0.6
98.95477	0.7
99.00740	10.1
99.01358	0.8
99.04382	1.1
101.02303	18.4
107.04877	1.0
109.02841	2.5
111.00703	0.7
113.02307	11.7
115.03885	2.9
119.03351	0.8
123.04391	0.6
125.02324	13.5
127.03867	1.2
131.03383	3.9
134.03609	0.9
135.04367	3.2
137.02342	1.1
137.09634	0.6
139.11165	6.6
141.12793	0.8
143.03412	3.1
146.03644	1.7
147.00638	0.6
147.04417	0.8
149.04440	7.1
151.03867	0.6
151.11166	2.0
153.01866	0.6
154.11983	2.0
159.02890	1.7
161.04468	5.7
161.05714	1.0
164.04745	0.7
165.05431	3.7
169.12239	13.9
173.04559	0.7
179.07048	1.2
184.93768	0.6
191.05469	3.5
217.38452	0.6
227.03351	0.6
233.06648	10.3
240.53667	0.6
251.07597	0.8
252.08096	0.7
293.08813	15.0
294.09210	0.6
299.05875	0.8
299.12393	0.6
313.10843	0.8
325.10873	1.6
331.17709	8.2
435.12686	0.7
445.20721	0.7
461.22934	0.6
462.23428	1.1
463.21902	96.1
464.22406	4.4
475.17719	0.8
523.13416	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	523.343
Annotation	Leptofuranin D
Peak:m/z	Relative Intensity
57.03303	2.7
59.01229	1.1
61.40575	0.7
78.03719	0.9
83.92494	0.8
99.08011	5.2
102.19556	0.8
103.34979	0.8
109.81897	1.0
121.06467	1.1
139.11179	1.0
144.05788	1.5
149.05939	2.6
157.06490	2.8
185.06053	3.1
186.06853	2.0
198.06870	1.1
199.07617	3.5
203.15524	1.0
209.06067	3.4
210.06776	1.4
211.07552	1.4
212.08470	0.9
213.09189	2.3
223.07547	5.5
225.09286	1.2
227.10800	2.3
227.16556	1.0
228.11626	2.0
229.12233	4.6
237.09189	1.5
267.13721	1.3
283.16772	2.0
285.18942	1.4
293.15485	1.8
293.21210	4.3
295.22717	1.6
335.16394	2.4
339.23306	4.2
351.15958	1.1
367.22775	5.3
379.26279	2.9
379.72217	1.2
385.23911	1.5
399.10468	1.1
405.24344	30.1
421.27527	3.3
423.25470	43.5
424.26083	1.7
436.12173	1.2
487.31860	1.9
497.58749	1.1
505.33270	10.9
523.34326	100.0
524.34625	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	524.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39161	0.2
59.01240	0.3
61.97438	1.9
61.98694	100.0
62.00144	0.9
74.30327	0.2
77.55244	0.2
83.17519	0.2
102.62603	0.3
108.33455	0.2
109.98486	0.2
114.87065	0.2
132.01509	0.3
154.52753	0.3
199.03964	0.6
227.03539	0.6
242.02330	0.9
243.02974	5.8
243.05339	0.4
255.03012	0.4
257.04535	1.7
270.01843	1.1
270.21713	0.3
271.02499	6.6
285.04044	2.7
286.04904	1.1
299.02011	2.5
300.02682	2.0
314.04373	10.9
315.05115	4.9
329.44974	0.3
461.10956	20.6
462.11346	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61712	0.8
57.03299	1.0
59.01249	5.2
59.69992	0.9
61.98691	1.4
66.44164	1.0
71.01245	8.0
72.99197	0.7
73.02816	4.2
79.95618	2.7
80.96362	1.0
83.01270	1.0
84.96568	0.9
85.02813	3.9
87.00752	2.1
88.41131	0.9
89.02307	4.5
91.72758	1.3
93.03315	1.9
96.95870	100.0
99.00752	2.3
101.02316	7.5
107.03626	12.4
108.04411	11.5
113.02315	2.5
114.36279	0.9
114.71517	0.8
121.05170	1.3
123.27225	0.9
125.02298	4.4
131.97882	1.0
152.03366	1.7
161.04445	2.5
165.05518	1.9
167.03430	1.2
173.04469	3.1
174.09152	10.5
176.10710	11.2
177.01942	1.6
186.50420	1.0
192.10225	18.5
220.09789	7.1
234.11514	1.6
236.09283	1.4
238.10818	74.8
238.84019	1.0
239.11192	1.5
241.00211	36.1
264.08774	5.0
280.11990	2.3
282.09836	16.8
292.85675	1.0
298.53943	1.2
324.11069	1.3
331.17548	3.6
332.18179	2.2
439.81323	1.1
444.15128	27.8
463.21896	25.0
464.22348	16.3
524.10828	94.1
525.11090	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	524.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	2.9
59.01240	1.3
62.66434	0.7
69.03312	0.9
69.47112	0.7
71.01239	3.1
71.04875	4.4
81.03335	1.9
81.35317	0.8
83.01222	2.4
85.02805	2.3
87.00740	0.8
87.38318	0.9
88.03896	31.7
93.03349	1.2
95.01250	1.4
95.04856	1.6
97.02789	2.4
99.04408	1.3
109.02814	6.6
111.04372	4.5
113.02341	0.8
121.02808	2.1
123.00742	3.7
123.01545	0.9
124.01518	1.3
125.02316	62.3
137.02327	17.6
138.03070	1.3
139.03893	12.5
146.08113	15.4
151.03928	1.6
159.04495	1.1
161.02327	2.0
164.01099	5.0
165.01836	12.9
167.03409	16.2
170.56747	0.9
175.03943	2.0
177.05460	2.6
179.03412	12.4
191.07086	1.1
201.05466	1.4
203.03423	2.0
204.04131	1.4
218.10298	42.8
219.06602	10.4
221.04486	6.5
261.07712	3.7
262.49689	0.9
262.65271	0.9
263.05548	1.0
305.06674	100.0
306.07104	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	524.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53307	0.1
59.01242	2.7
60.01579	0.2
60.67385	0.1
61.01680	0.2
61.97441	1.9
61.98691	100.0
62.00156	0.8
62.98409	0.2
63.03440	0.1
71.01235	2.2
72.01571	0.4
72.99172	0.2
73.01651	0.2
73.02801	1.0
74.03149	0.3
75.00732	0.5
80.24315	0.2
83.01252	0.5
85.02803	0.9
86.03160	0.3
89.02310	0.2
91.72677	0.2
96.95868	0.8
97.02829	0.2
99.00737	0.4
101.02296	2.1
102.02655	0.7
103.02759	0.5
113.02313	1.0
115.02766	0.2
159.02965	0.2
161.04478	0.8
162.04756	0.3
163.04927	0.4
179.35551	0.1
203.85699	0.2
240.04794	0.2
272.79285	0.1
297.54736	0.2
303.18518	0.2
315.18262	0.7
316.18445	0.7
317.18649	1.3
318.19089	0.7
349.53989	0.2
461.24612	0.5
462.24329	1.2
463.24536	5.2
463.30981	0.3
464.24716	4.9
524.13245	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	524.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27608	0.3
54.83504	0.3
57.03316	2.6
58.02831	0.5
58.03628	0.5
59.01242	8.4
61.98685	0.4
67.46687	1.2
67.47081	0.5
68.73447	0.3
71.00861	0.7
71.01234	6.2
72.00764	8.5
72.99154	0.6
73.02793	2.3
77.41335	0.3
78.95776	0.4
79.95599	0.4
83.01263	1.7
85.02808	3.3
87.00728	0.8
89.02320	2.0
91.05386	1.0
91.73302	0.5
95.01232	0.4
96.95866	14.6
98.95448	1.0
99.00727	1.1
99.04363	2.1
100.04720	0.8
101.02297	5.5
102.02657	0.5
109.02825	0.7
111.00751	0.4
113.02330	2.9
119.03369	0.7
122.03625	0.6
122.70684	0.3
125.02328	0.8
137.05991	0.5
138.06323	0.5
145.32341	0.5
147.04402	36.9
153.01895	0.5
161.04439	2.2
162.04796	0.8
164.01935	1.0
164.07068	100.0
164.12822	0.8
165.05492	0.5
165.07440	1.9
188.78825	0.4
191.05478	0.5
211.32585	0.6
214.14430	0.9
225.00728	0.5
242.00468	0.4
279.92099	0.4
306.83881	0.4
331.17606	0.6
332.18036	1.7
446.17154	0.5
463.21927	0.5
464.22174	4.6
465.23230	0.8
524.11676	10.2
524.25018	92.9
525.12671	2.0
525.25232	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	525.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69765	0.2
59.01242	2.2
63.68223	0.2
67.63711	0.2
67.64033	0.2
71.01246	2.2
72.99184	0.4
73.02805	0.7
79.95582	1.5
81.34481	0.2
83.01259	0.5
85.02814	0.7
88.98721	0.2
89.02307	2.0
93.03307	0.3
96.93541	1.1
96.95870	100.0
96.98531	1.2
97.52922	0.2
99.00735	0.6
101.02312	1.7
109.02811	0.7
113.02307	1.0
119.03344	0.4
125.02312	0.8
131.03363	0.5
137.02281	0.3
139.86160	0.2
149.02336	0.4
149.04443	0.9
149.05936	0.3
161.04463	1.0
163.00359	0.3
165.05475	1.0
167.03482	0.5
168.03795	0.4
177.01854	0.3
179.03429	0.4
179.07060	0.3
181.05014	0.3
191.05595	0.4
193.04973	0.3
199.64183	0.2
222.56985	0.2
266.37921	0.2
269.82605	0.2
303.12524	0.4
333.19205	1.0
335.15112	0.2
353.15985	0.4
405.08694	0.2
419.07196	0.3
427.16254	1.1
464.22031	0.8
465.23325	5.6
525.13989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1405
Annotation	CHEBI:67642
Peak:m/z	Relative Intensity
50.73467	0.2
58.00454	0.2
59.01229	0.6
70.48299	0.3
71.01241	0.4
89.02325	0.3
96.95865	2.3
107.04896	0.4
109.02808	0.5
125.57557	0.2
135.04382	0.4
147.04442	0.4
149.05948	0.3
150.03166	0.6
151.03897	0.3
155.08052	0.3
163.03964	0.6
164.04694	0.4
165.05484	2.3
167.03435	0.5
178.02704	0.3
179.03423	0.5
185.02376	0.5
193.05022	0.5
200.04771	0.6
213.01828	0.6
214.02544	0.4
215.03519	0.5
226.02695	0.5
227.03470	7.2
228.04268	0.7
241.01445	0.6
241.05017	0.3
242.02206	0.8
243.02907	0.9
250.02763	0.4
251.03491	0.6
255.02988	3.2
256.03778	7.3
257.04480	0.4
269.04758	0.5
270.02075	0.6
270.05350	8.2
279.02969	1.1
280.03818	0.6
284.03262	0.3
285.04019	0.6
287.14990	1.9
288.02802	1.8
291.06525	0.4
298.04697	0.5
302.04306	3.7
317.04492	0.4
317.08090	0.5
328.49448	0.3
330.05377	0.5
331.06046	0.8
332.06912	0.6
333.07593	0.6
342.09509	0.3
343.06137	1.1
344.07050	0.7
345.07602	0.9
347.05606	0.7
355.06097	0.4
356.03125	0.7
357.03665	0.4
359.05276	1.4
360.06232	1.4
361.07211	2.2
362.07980	0.7
370.04822	0.4
371.05771	0.8
372.06323	0.8
373.07150	1.0
374.03967	0.4
374.08069	0.5
375.04803	0.8
375.08820	2.2
376.05722	1.3
377.06711	0.7
386.08069	0.4
387.05011	0.6
388.05652	1.7
389.06671	4.1
390.07581	1.8
391.08316	2.3
392.08920	0.8
401.06750	1.0
402.07376	0.8
403.08405	7.5
404.09009	6.1
405.05249	0.4
405.09930	2.3
406.10419	0.3
415.08157	1.1
416.04865	0.4
416.09476	0.5
417.06015	1.2
417.10736	0.5
419.07541	2.8
420.08438	0.4
421.09253	0.4
429.06189	0.6
431.07562	1.7
432.08557	1.0
433.09232	3.9
434.09882	0.3
435.10883	0.5
444.08661	1.4
445.09253	1.0
447.10934	9.8
447.17108	0.5
449.08783	1.2
459.11017	1.1
461.09109	0.4
463.10324	1.2
477.12000	3.9
479.10172	0.6
492.10486	0.4
495.12860	2.3
507.12912	1.1
510.11871	1.8
525.14044	100.0
526.14288	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	525.1615
Annotation	Pityriarubin A
Peak:m/z	Relative Intensity
59.01226	1.1
59.30519	0.4
61.98698	2.8
67.01762	0.6
71.01246	1.2
80.02505	0.5
83.01260	0.4
86.71524	0.5
89.02297	1.1
91.01743	1.4
93.03333	1.1
95.01195	0.4
96.95870	1.3
101.02314	0.8
108.02029	17.8
109.02782	0.9
111.00760	0.5
113.02296	1.1
115.00202	0.5
116.92683	1.0
121.02821	4.3
122.03605	4.9
123.04390	14.9
125.02325	1.1
133.02771	0.7
134.03697	0.5
135.04442	0.8
136.01610	0.8
146.08112	0.7
149.02328	11.7
150.03113	40.3
151.00197	1.2
151.03783	1.1
152.01039	45.5
153.01431	0.7
162.03116	0.6
163.03828	0.6
164.04645	2.9
165.05467	49.4
166.02608	1.5
166.05809	1.3
167.03398	100.0
168.03757	1.2
175.02402	0.7
180.04155	3.7
181.04988	0.8
195.06555	27.6
209.04547	5.2
226.39226	0.5
241.05106	0.5
256.07367	4.8
271.09775	2.0
300.06436	0.5
315.05444	1.0
315.08786	10.5
319.11816	1.0
345.09744	0.5
357.09750	0.8
363.10867	29.0
364.11072	0.9
381.15985	0.7
525.16107	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64822	0.3
55.94248	0.4
59.01244	1.3
60.99181	0.4
61.98700	1.2
70.22685	0.4
73.02796	0.3
74.02316	0.3
75.93813	0.3
88.98657	2.5
93.03317	0.7
96.95885	0.6
101.02311	0.5
107.04896	0.7
108.02016	0.7
109.02834	0.6
111.04402	0.8
121.02821	6.3
122.03602	13.0
123.04412	1.0
124.01560	0.7
125.02380	0.5
134.03612	12.2
135.04408	7.6
136.01572	0.5
137.02306	1.1
137.05966	1.0
146.03618	18.4
147.04413	1.7
149.05965	21.7
150.03113	1.6
152.01010	0.4
154.02608	1.1
161.05975	10.9
162.03113	2.5
164.04695	9.4
165.05473	26.1
166.06252	9.2
167.07034	100.0
168.07387	1.5
173.04417	0.5
177.05501	1.8
179.07045	49.3
180.07407	0.8
193.08670	1.8
195.06491	0.6
209.08119	0.4
221.06093	0.6
221.08157	9.1
239.09161	2.4
312.09985	0.7
315.08698	0.6
315.12402	12.2
320.26172	0.4
327.12430	5.6
345.13367	5.3
363.10202	0.7
363.14526	10.2
419.18079	0.4
525.20166	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	525.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.6
61.98677	0.2
62.96711	0.1
67.75531	0.1
75.36492	0.1
91.73383	0.2
97.06435	0.2
97.56361	0.1
105.64313	0.1
112.55883	0.1
119.04867	0.2
133.06438	0.2
144.05702	0.3
145.06444	0.2
146.03610	0.1
147.04384	0.2
157.06487	0.7
158.03609	0.5
159.04370	0.3
160.05203	0.5
161.05978	0.9
172.05212	0.6
173.05981	3.5
186.03159	2.2
187.03891	1.6
199.11154	0.2
200.04733	0.2
201.05504	11.1
201.12808	0.2
202.06131	0.3
215.10704	0.4
216.11580	0.2
217.12306	3.4
229.08670	0.2
243.10294	0.7
244.11024	100.0
244.20824	0.9
245.11752	11.1
246.12227	0.3
247.13303	0.2
279.07913	0.1
294.57040	0.1
389.84808	0.1
489.22797	0.4
497.19781	0.2
525.19031	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40596	0.7
53.49292	1.1
55.47934	0.8
59.01240	8.0
62.02275	1.0
78.95744	1.1
93.43534	1.2
101.13180	1.0
106.18721	1.1
121.55045	1.1
123.04375	2.4
152.99521	1.1
161.06009	3.2
173.05986	3.1
179.26886	1.1
186.03217	1.6
187.03932	1.3
201.05492	11.0
215.10696	1.2
217.12297	9.8
243.10114	3.0
243.72664	1.3
244.11031	100.0
245.11806	31.1
247.09930	1.6
259.09760	3.0
261.11206	1.5
269.12033	1.1
270.22632	1.2
305.08286	1.5
305.11691	1.4
319.09717	2.2
321.07355	1.3
359.16541	1.7
387.16040	2.4
389.13907	1.6
404.16287	5.7
405.17102	7.4
445.24088	5.2
489.22882	35.4
490.22751	1.5
525.24548	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	525.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.9
57.03318	50.3
59.00090	1.1
59.01245	70.6
59.02496	1.0
61.98697	4.8
70.31124	0.7
70.33532	0.8
71.00871	1.6
71.01243	19.0
72.99126	1.1
73.02806	5.4
73.64337	0.7
81.03295	1.0
83.01234	5.9
85.02810	9.0
87.00745	1.3
87.43526	0.9
89.02298	13.0
93.03249	0.8
96.04401	1.2
96.95870	30.3
96.96789	1.2
98.12920	0.8
99.00750	2.4
99.04381	61.7
99.07120	1.1
100.01521	0.9
101.02304	32.8
101.02960	1.8
107.01236	1.5
108.02095	0.9
109.02836	2.0
110.02331	1.2
111.00724	1.2
113.02306	7.1
121.02800	1.6
121.03963	1.6
124.01527	1.2
125.02319	30.0
131.03381	7.7
143.03395	5.6
149.04465	1.3
151.00264	7.6
151.68303	1.1
159.02930	1.6
160.41019	1.3
161.04457	6.1
163.00302	1.4
164.01074	1.2
166.73143	1.0
173.04529	1.1
178.99776	2.5
207.07733	3.2
227.03526	1.7
233.06755	1.2
233.09232	1.1
243.02957	6.7
245.04361	1.3
249.13435	21.9
254.02226	2.5
255.02994	15.9
271.02496	39.5
283.02347	1.0
290.11539	3.3
300.02780	71.7
301.03540	32.0
344.12430	1.4
362.13745	5.1
363.16806	7.3
368.71164	1.0
381.17691	100.0
382.18271	1.9
423.18762	19.5
447.90231	1.0
463.08887	84.6
525.09320	1.7
525.21893	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	525.2496
Annotation	Absintholide
Peak:m/z	Relative Intensity
55.97833	2.8
57.03313	7.4
61.98695	23.5
65.99707	3.7
81.03320	15.9
95.01233	5.4
95.08300	2.8
97.02832	4.7
99.08022	21.8
107.01246	5.0
109.02813	17.9
121.02804	18.7
123.00772	6.4
123.04417	12.8
125.02327	16.3
133.06490	10.4
135.04401	14.7
151.00259	55.4
152.03221	3.6
154.79474	3.4
161.11911	3.4
172.05147	3.5
199.11353	4.4
199.42197	3.3
205.12285	4.4
210.95924	8.5
217.12236	10.1
218.16498	3.3
221.11783	24.8
224.62682	4.1
227.78085	4.0
233.11789	7.1
241.12390	6.3
245.11815	5.7
265.08774	9.9
279.10135	11.4
289.65015	3.5
293.01443	26.1
363.16110	13.6
364.16782	12.1
383.53894	3.6
388.04300	4.2
401.91321	4.0
423.77002	3.6
443.11121	4.7
445.23669	3.8
451.24942	23.1
463.24973	100.0
481.25717	6.6
525.16907	6.7
525.24951	53.0
537.11340	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	525.2496
Annotation	Absintholide
Peak:m/z	Relative Intensity
56.17850	16.3
57.03300	49.9
59.01245	24.2
61.24947	15.9
61.98686	24.9
67.40642	17.2
87.25174	17.7
96.95887	71.6
99.08043	58.6
109.02821	27.5
112.05048	17.3
117.01830	20.1
123.04355	23.9
125.09506	19.1
127.07589	23.6
135.04401	36.3
139.43593	17.7
149.78418	18.3
151.03899	57.2
163.03938	62.1
163.94484	17.1
177.09122	26.0
195.06529	26.3
201.05418	19.8
218.09480	36.2
219.10281	50.7
220.46014	18.1
235.09782	20.9
236.10442	39.6
263.09299	44.6
287.20346	30.0
337.17972	36.3
367.19171	22.3
419.26266	26.4
433.24045	53.6
435.25650	47.1
437.27414	26.7
451.25098	100.0
463.25443	99.6
481.26450	28.1
507.24069	69.2
525.25171	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2495
Annotation	Kosamol A
Peak:m/z	Relative Intensity
59.01244	2.9
59.01486	0.5
61.27672	0.5
62.40998	0.5
70.30926	0.6
73.02798	0.7
85.02788	0.5
87.79020	0.6
88.58562	0.4
101.05937	0.5
168.52182	0.5
171.04373	0.6
172.05211	1.0
215.10742	3.2
231.10257	1.0
245.11789	3.2
247.13385	0.6
259.09747	3.6
261.11362	1.3
268.11108	0.9
281.11603	0.7
307.13461	1.0
308.13937	0.7
309.14999	1.6
323.12836	0.6
335.16330	0.7
336.13477	0.8
337.14453	1.4
349.14450	1.2
365.13583	0.7
365.17593	0.7
375.15936	1.2
377.17834	0.8
379.19296	0.8
391.19269	0.7
395.18326	0.7
407.18777	1.0
421.23788	0.6
453.19287	1.9
459.21829	1.0
465.22662	1.8
469.26346	0.7
477.23004	2.1
479.24527	1.5
489.22556	1.3
497.25476	11.4
507.23822	0.8
525.24957	100.0
526.25378	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	525.2496
Annotation	Absintholide
Peak:m/z	Relative Intensity
52.10296	1.0
57.03310	1.9
59.01027	1.0
59.01242	12.0
61.85776	1.0
61.98698	1.4
70.79125	1.0
72.42521	1.0
72.99158	3.4
81.03303	2.8
82.23281	1.0
85.02782	1.6
92.14617	1.0
95.04881	2.2
97.06434	1.3
99.08031	2.3
101.05935	3.1
107.04896	1.6
109.02813	7.3
118.09910	1.0
121.02801	1.4
122.03603	1.8
123.04382	9.4
123.08035	1.9
133.06467	1.7
135.04338	2.1
137.06035	1.3
147.04315	1.7
149.05960	5.5
154.35309	1.2
157.06461	1.7
157.85265	1.3
159.04414	11.4
159.08000	1.2
160.05284	2.8
161.05971	5.9
163.07523	1.7
163.11208	1.3
165.05470	1.7
165.09155	1.9
172.05246	2.5
173.05957	4.4
174.06737	2.0
175.07591	1.7
179.10591	1.5
187.07520	4.2
188.04659	1.7
191.10773	1.7
201.05501	27.4
201.09279	1.7
202.06203	3.2
203.07109	3.2
203.10643	2.5
207.10223	5.1
215.07150	6.7
215.10693	9.8
217.09018	1.4
217.12294	35.9
219.10231	1.4
229.12405	1.8
229.89474	4.1
231.10205	4.3
232.10866	2.2
233.11790	16.9
234.12105	4.7
243.10258	5.4
244.11024	45.5
244.91696	4.4
245.11830	25.3
247.13406	1.8
255.13860	1.5
259.13431	6.8
261.11349	10.3
269.11835	2.7
273.11359	3.8
287.12985	7.5
299.12863	6.7
317.13983	10.4
355.18948	1.6
355.52332	1.3
419.22189	2.0
459.21402	2.2
461.23386	1.7
471.21985	1.7
477.22922	3.6
481.26013	4.4
489.22842	8.6
507.23895	5.6
525.24927	100.0
526.25201	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	525.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17367	0.5
57.03301	3.0
58.00445	0.8
59.01244	25.1
61.98682	1.2
69.03313	0.9
71.01241	25.4
72.99168	1.0
73.02796	10.5
81.03317	1.2
83.01253	4.3
85.02802	10.1
86.31030	0.6
87.00703	1.3
89.02299	20.6
91.72715	1.3
93.03329	0.9
95.01242	1.9
96.65244	0.7
96.95847	5.6
98.95466	0.8
99.00734	6.4
99.04379	3.2
101.02303	25.3
101.02967	1.6
108.02036	1.0
109.02803	1.6
111.00776	1.2
113.02308	11.2
115.03887	1.0
119.03354	2.9
121.02790	1.0
123.00699	1.0
123.04383	0.6
123.61093	0.8
124.01508	0.8
125.02313	8.3
126.02689	1.0
131.03381	4.7
135.04358	0.8
137.02345	1.7
139.03857	1.0
141.98135	1.7
142.35550	1.1
142.50911	0.7
143.03389	1.2
149.02341	1.5
149.04462	11.0
153.01875	0.8
157.00490	1.3
159.02916	2.3
161.04451	9.1
165.01744	0.7
165.05426	4.1
167.03363	2.1
177.01822	1.9
182.99957	0.8
191.05563	2.3
249.13361	1.7
255.03110	0.7
261.07742	1.1
281.28818	0.9
305.06735	2.0
306.07101	1.0
333.19208	17.2
343.00729	0.9
377.18213	0.9
381.17688	2.2
465.23419	100.0
466.23892	4.2
525.03381	1.6
525.16357	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95598	29.6
58.98334	27.2
64.15176	27.5
70.88332	31.2
72.99150	36.1
73.39169	32.4
78.95741	48.4
98.77010	35.3
152.99509	42.4
159.82750	38.0
216.97870	38.7
253.21791	100.0
303.23486	42.5
415.24869	79.0
525.28455	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08692	25.0
55.01706	21.7
59.01233	43.0
62.10091	30.8
69.63926	26.5
79.37175	31.8
80.10563	26.0
82.56142	28.5
85.92903	26.9
112.27260	29.1
126.89671	28.4
214.91074	30.2
217.12283	52.8
245.11821	50.6
270.92999	34.3
318.78979	37.2
339.65292	39.0
497.31238	36.9
525.24738	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03084	0.6
57.03320	7.4
58.03668	0.4
58.62465	0.4
59.00972	0.8
59.01243	9.9
61.98399	0.6
61.98693	7.2
62.86430	0.5
63.61836	0.4
64.01642	0.4
65.00181	0.7
68.02264	0.5
70.43481	0.5
71.01223	2.0
73.02821	0.8
74.98174	0.4
83.01232	0.9
85.02813	1.3
86.99654	0.5
89.02302	1.7
92.09576	1.0
92.10117	1.0
96.95879	4.3
99.04379	7.5
100.04694	0.8
101.02287	4.0
107.01227	2.0
107.01894	0.5
108.02030	1.1
109.02807	1.3
113.02302	1.2
121.02814	1.3
125.02325	4.3
126.02607	0.7
131.03360	1.0
135.00815	0.7
148.01515	1.2
151.00262	10.1
161.04485	1.5
163.00253	1.3
169.01361	0.6
178.99799	4.2
187.03934	0.6
190.54703	0.5
192.86491	0.7
199.03984	0.7
200.30672	0.5
211.04018	1.0
226.02782	1.3
227.03462	2.2
229.04919	0.7
243.02971	8.4
245.04547	1.5
249.13387	3.3
254.02213	2.5
255.02985	20.8
255.05699	1.1
271.02493	49.3
272.03046	1.7
273.04135	1.0
283.02353	0.8
285.78964	0.5
299.01895	0.9
300.02765	88.4
301.03537	39.2
302.03781	0.8
381.13089	0.8
381.17709	12.0
382.18106	5.3
423.18753	1.4
424.19385	0.7
463.08871	100.0
464.09100	1.9
470.16895	0.5
525.21753	1.2
526.21942	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42412	0.6
56.20468	0.8
57.01893	0.7
57.80022	0.7
58.47029	0.7
59.01236	5.5
60.84441	1.3
60.84683	1.0
61.98692	10.3
71.01228	1.3
96.95879	1.6
117.02551	1.8
117.03330	22.5
118.04127	4.1
119.04891	43.7
121.02840	10.2
123.04386	2.2
133.02838	2.6
145.02837	92.5
162.03137	3.5
163.03909	31.2
174.01505	1.2
206.23730	0.9
220.93932	0.9
235.17073	3.1
235.90625	0.9
297.20718	1.0
303.19882	1.2
325.16922	1.5
399.21887	2.1
401.23108	4.2
431.24405	25.5
432.24902	1.2
443.24347	23.0
447.22266	1.1
451.83914	1.1
455.24405	16.8
460.27103	43.4
461.27420	2.5
472.27084	20.4
473.26654	1.3
483.22247	4.2
490.28128	100.0
491.28448	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	527.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15034	0.7
62.54879	0.8
67.76908	0.9
74.49847	1.0
84.22557	0.8
91.72794	1.3
96.95856	5.7
101.02336	1.4
108.02026	4.2
109.02805	2.4
123.04382	1.2
125.02321	1.3
130.06624	1.0
135.04503	1.2
153.49229	0.9
187.03993	1.4
205.07185	1.1
211.04062	1.1
238.06148	1.0
240.04332	1.9
241.05055	4.7
242.05870	4.1
249.05641	1.1
251.07140	1.4
255.06668	5.4
255.40887	1.1
257.08194	8.0
258.08926	1.2
267.06598	7.1
268.07428	2.2
269.08282	1.2
277.04987	1.8
278.05774	3.0
279.06552	5.2
280.07236	1.2
283.06122	13.0
293.08188	2.3
295.06079	9.8
296.06934	7.5
297.07678	7.0
299.09155	5.3
309.07831	1.4
311.09323	17.6
313.07324	2.4
314.07788	1.3
325.07068	2.5
326.08102	1.9
329.10367	12.7
341.10370	6.6
359.11435	11.0
437.12811	1.5
483.16626	100.0
484.16843	4.2
527.15363	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	527.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06551	0.5
51.79417	0.5
59.01234	1.5
63.76268	0.5
66.49677	0.5
67.01749	1.0
83.04861	0.6
85.02799	0.5
88.76051	0.6
90.18712	0.5
91.73345	1.1
93.03348	0.7
97.06447	4.9
97.99964	1.0
99.08012	0.6
101.05923	0.9
107.04897	8.8
109.06485	0.7
115.05399	1.1
119.04911	3.2
123.04360	2.3
123.84640	0.7
131.04921	1.1
132.05690	1.1
133.06467	25.4
134.07245	0.7
135.04390	2.1
135.08029	1.5
137.05943	1.3
144.05710	5.4
146.03624	0.8
147.04437	0.8
149.05984	4.1
159.04399	1.4
160.05219	0.8
161.05977	40.3
162.03185	0.7
162.06334	0.8
163.03899	0.8
170.52863	0.8
175.11201	0.8
177.05501	4.2
179.03381	3.8
179.07022	0.8
184.08757	0.7
185.05911	0.8
187.07539	1.0
199.11195	2.4
205.04997	16.9
213.09259	1.0
214.06152	1.0
215.07123	0.7
215.10901	0.8
215.57172	0.8
217.12292	100.0
218.12680	1.9
222.05296	1.1
233.11720	2.5
243.10326	2.8
245.11810	1.9
259.47641	0.6
261.11310	11.4
265.14496	1.3
269.11908	1.1
271.13336	1.6
279.10437	0.8
295.13449	1.2
299.13013	4.1
341.17517	1.2
379.19193	3.1
423.18176	3.7
449.16342	0.8
465.26819	0.7
467.16965	3.6
483.27496	3.3
527.26923	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	527.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59127	0.3
52.73867	0.4
54.05707	0.3
54.32293	0.3
57.03318	0.4
59.01236	0.9
61.98678	0.4
67.01741	0.5
68.99664	0.8
76.76881	0.6
76.77248	0.4
77.18906	0.3
79.05397	0.5
91.05376	0.7
91.72633	0.6
93.03312	0.8
95.04873	0.9
97.06448	5.0
97.99953	4.1
99.08039	0.5
106.04105	0.5
107.04889	5.5
109.02847	0.7
109.06432	1.3
113.90926	0.4
118.04154	0.4
119.04896	4.9
121.06448	0.8
122.03659	0.6
123.04426	2.2
123.07996	0.7
125.99469	0.8
130.04021	0.4
131.04909	1.2
132.05702	0.7
133.06468	25.5
134.03682	0.5
134.07242	0.7
135.04387	5.0
135.08008	1.3
137.05949	5.5
139.00278	0.5
143.04860	0.6
144.05688	6.0
145.06496	0.6
146.03658	1.2
147.04414	0.7
149.05942	2.5
151.03941	0.5
151.07573	0.9
159.04414	1.8
160.05174	0.9
161.05980	37.7
162.03136	3.6
162.06355	0.8
163.03894	2.3
163.07603	0.4
165.05498	0.6
171.08098	0.6
172.05267	0.5
173.05917	0.6
173.09651	0.4
175.03915	0.8
175.07472	0.6
177.05492	4.3
178.06273	1.0
178.52484	0.4
179.03400	1.0
179.07031	1.3
184.08897	0.6
185.05994	0.5
187.07559	0.9
197.06044	0.4
198.06651	0.5
199.11189	3.8
201.05502	0.6
201.09111	1.0
202.83075	0.4
203.03404	0.7
205.05009	16.9
211.07515	0.6
213.05476	0.5
213.09131	1.1
214.06267	2.2
215.07129	1.2
217.12292	100.0
218.12564	1.9
221.04477	0.5
221.11813	0.5
222.05299	5.9
223.05966	0.8
227.06889	0.4
229.05040	3.6
233.11758	0.8
243.00429	0.4
243.10281	7.1
245.11858	3.9
249.09259	0.5
253.12442	0.5
255.13814	2.4
257.11938	0.7
261.11325	8.0
271.13354	0.6
275.13016	0.6
277.12350	0.7
279.10284	0.8
294.12424	0.9
295.13336	2.4
297.11386	0.8
299.12933	2.9
321.11230	0.5
323.12778	0.5
337.18060	0.7
341.13943	0.6
341.17502	2.6
352.38525	0.4
361.18170	1.1
379.14844	0.6
379.19171	5.4
423.18076	4.2
449.16104	7.9
449.69699	0.4
467.17123	33.2
468.17270	1.6
527.26123	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.4
59.01226	1.4
59.81713	0.4
64.96018	0.5
68.99658	1.0
69.03320	0.5
76.76862	0.9
77.86481	0.5
82.00442	0.7
83.04847	0.6
91.05392	0.7
91.73354	0.8
93.03309	1.7
95.01260	0.9
95.04874	1.5
97.06443	8.3
99.08015	0.6
105.06971	0.7
107.04893	9.4
108.02012	1.4
109.02795	1.2
109.06441	2.1
109.54855	0.4
119.04897	6.6
121.02821	0.9
121.06421	0.5
123.04355	1.8
124.93703	0.6
125.99443	1.1
131.04861	0.9
133.02870	0.5
133.06470	18.6
134.03603	1.1
134.07227	1.6
135.04393	9.0
135.08014	1.7
136.05060	0.5
137.04962	0.9
137.05959	12.5
143.04857	0.9
144.05685	6.2
147.04344	0.5
149.02290	0.7
149.05952	3.3
151.07549	1.1
157.06483	0.6
159.04399	2.2
161.05980	32.1
162.03128	9.1
163.03897	3.6
164.04655	0.8
172.05251	0.9
173.05981	0.7
175.03903	1.4
175.11266	0.5
177.05482	8.3
178.06181	0.8
179.03360	1.7
179.07091	1.6
184.06816	0.5
185.06067	0.8
187.07568	1.1
199.07619	0.5
199.11220	3.9
201.05490	0.9
201.09163	1.5
205.04987	9.3
205.12508	0.7
207.02904	0.5
212.08427	0.5
213.09247	0.7
214.06206	1.1
215.07047	1.9
215.10709	0.7
217.12296	100.0
218.12706	2.5
221.04549	0.8
222.05266	5.5
223.06050	1.5
228.07901	0.8
229.05002	7.9
233.11780	1.6
239.14275	0.6
239.98849	0.6
243.07767	0.6
243.10246	11.0
245.11807	3.6
246.12027	0.5
253.12325	0.7
255.00688	0.6
255.13934	4.1
257.11710	1.1
261.11310	11.1
269.11890	1.0
271.13474	1.7
275.12921	2.1
283.06039	0.6
293.11832	0.6
295.09882	1.0
295.13324	1.5
297.11453	1.3
299.12970	3.4
299.16095	0.9
307.13504	0.9
321.11383	1.0
323.16443	0.6
337.18387	0.8
341.17593	6.0
351.12616	0.6
351.19846	0.9
361.18176	0.8
379.19348	2.5
381.17017	0.8
395.18466	1.0
405.17319	1.2
411.51544	0.6
423.18173	5.0
431.14468	0.5
449.16113	4.1
467.17130	71.4
468.17645	3.8
483.27646	0.9
527.26868	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	527.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	31.7
59.01243	46.5
59.02430	0.9
61.98698	1.1
62.74597	1.1
69.03300	1.6
71.00873	2.0
71.01241	28.6
72.64850	1.2
72.99110	1.3
73.02813	11.6
74.09449	1.0
75.12000	0.9
78.95762	1.2
81.03320	1.5
82.95271	1.9
83.01238	5.3
85.02807	13.6
87.00724	2.6
87.04379	1.4
89.02290	10.0
91.73302	1.3
95.01239	2.2
96.26257	1.0
96.95865	26.5
97.02831	2.3
99.00731	3.7
99.04380	50.2
101.02306	33.5
101.05945	1.7
113.02293	15.5
125.02320	36.9
125.03248	2.0
128.03401	2.2
131.03372	2.5
143.03383	5.2
149.04497	2.0
151.03845	1.4
159.02855	2.2
159.87297	1.5
161.04443	23.3
175.02371	1.8
185.08052	1.9
215.05566	1.8
233.10242	3.6
239.41161	1.2
251.11359	51.4
267.08841	1.2
365.14536	24.7
383.15616	100.0
425.16745	9.0
465.18994	1.4
527.19672	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	527.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73351	0.7
56.18155	0.7
57.03034	1.8
57.03316	35.8
59.00067	1.0
59.01242	51.7
66.51894	0.8
69.40891	0.9
71.00871	1.8
71.01241	25.1
72.99155	1.6
73.02808	10.4
81.03304	3.0
83.01257	5.3
85.02800	19.6
87.00706	4.1
87.04337	1.9
89.02293	11.0
93.03317	2.6
95.01249	2.3
96.95845	2.4
97.02794	2.0
98.19357	0.8
98.89722	0.9
99.00726	5.4
99.04375	45.5
101.02297	35.5
111.04387	1.1
113.02312	14.9
115.37998	0.9
119.03380	1.5
120.99512	7.8
123.46532	1.0
125.02316	37.9
127.03928	1.8
129.01807	1.4
131.03362	3.4
136.02960	0.9
137.02373	1.0
141.40686	0.9
143.03438	5.0
145.61462	0.9
149.04405	1.7
159.02873	3.6
159.87286	1.0
161.04449	23.0
161.73785	1.0
173.04492	1.2
177.01926	1.8
191.05534	66.9
205.07211	1.3
221.04839	2.8
233.10342	3.4
251.11343	53.2
251.45093	1.1
262.90683	1.0
275.94888	1.1
277.49173	1.2
293.12350	1.3
305.06516	1.3
365.14581	24.6
383.15604	100.0
384.15976	2.5
425.16690	19.5
483.20685	2.4
527.19922	18.3
528.01263	1.1
542.51294	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69246	0.2
54.28807	0.2
55.01749	0.8
55.55146	0.3
57.03302	0.9
59.00065	0.5
59.01242	25.5
61.98679	1.2
63.20347	0.3
69.03316	0.4
71.01241	7.5
71.04850	0.4
71.60637	0.3
72.99146	0.7
73.02814	3.3
78.95760	0.3
81.60068	0.7
83.01238	3.0
83.04800	0.3
85.02807	5.9
85.99950	1.6
87.00726	1.2
89.02303	1.4
91.72739	0.4
95.01233	1.0
96.95893	0.4
97.02793	0.5
99.00703	1.5
101.02305	6.4
111.00729	1.8
112.01475	0.3
113.02314	2.5
116.82377	0.3
117.03300	0.9
119.04930	1.9
120.05218	0.4
120.32600	0.3
121.02816	0.9
122.83669	0.3
125.02352	0.5
127.34914	0.3
129.01816	0.5
139.44147	0.5
141.01842	0.3
145.02821	3.9
146.03154	1.2
159.02856	1.1
163.03865	1.2
163.11186	1.3
164.04359	0.4
191.10692	1.3
217.15958	1.8
233.15457	4.4
235.07576	0.7
235.17007	39.8
236.17346	1.0
247.16988	1.7
261.15198	0.4
277.17957	0.5
279.15939	0.6
293.17471	0.3
305.17569	0.9
321.97919	0.3
379.21185	0.9
397.22299	5.8
423.20432	2.2
432.24500	0.7
441.21310	11.1
442.22107	0.3
444.24841	0.7
456.24762	0.4
460.27032	0.7
461.27463	1.2
467.25146	0.3
472.27185	0.4
473.27875	0.4
483.22379	100.0
484.22733	4.1
490.28122	1.2
491.28354	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	527.2652
Annotation	Terpenoid EA-I
Peak:m/z	Relative Intensity
54.09380	0.6
58.25039	0.6
59.01238	1.9
61.65867	1.1
63.33738	0.6
68.99684	1.0
71.01242	3.3
73.02811	1.0
83.01268	0.7
93.03349	1.1
99.00745	11.0
106.10633	0.7
112.01523	0.8
117.03331	29.1
118.04132	3.8
119.01491	0.7
119.04897	55.0
121.02833	5.5
123.04375	1.4
124.01569	1.5
132.05702	0.7
132.32770	0.9
133.02824	1.7
135.76787	0.7
145.02838	100.0
162.03096	2.0
163.03909	38.0
164.04630	0.9
237.11659	0.7
248.52603	0.7
305.81079	0.7
309.21207	0.8
321.20700	1.2
327.19992	0.8
335.22250	3.8
345.20782	3.6
353.23370	2.2
363.21829	16.1
381.22861	25.0
435.21652	1.2
449.23462	1.4
465.26428	2.3
467.24225	1.7
481.25961	1.9
491.24554	1.0
497.25418	8.8
499.27072	7.2
509.25470	66.5
510.25638	1.7
527.26532	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	527.2652
Annotation	Terpenoid EA-I
Peak:m/z	Relative Intensity
52.45333	0.5
57.03310	0.7
59.01239	2.3
61.65860	1.0
62.40446	0.5
68.99683	0.9
71.01237	2.2
73.02806	0.8
77.29265	0.5
78.95760	0.9
93.03314	0.8
99.00746	8.6
110.03613	1.0
117.03327	27.6
118.04112	1.9
119.01503	0.8
119.04893	46.6
120.10329	0.5
121.02821	5.2
123.04390	1.7
124.01535	0.8
125.02351	0.6
133.02835	1.1
136.01521	0.7
138.03136	1.0
139.42728	0.6
144.98296	1.4
145.02837	100.0
146.03227	1.0
150.02975	0.6
162.03146	1.1
163.03909	32.3
164.04445	0.9
233.42030	0.6
253.21696	3.1
321.20718	1.0
335.22168	2.9
345.20657	2.2
353.23428	1.5
363.17529	0.8
363.21826	13.4
381.22845	20.8
427.24969	0.8
435.21301	0.9
449.23349	2.4
453.22000	0.8
453.27451	0.8
465.26355	2.0
467.24527	1.5
476.41089	0.7
478.29471	1.9
491.24567	1.4
497.25461	7.9
499.26974	6.0
509.25473	48.4
510.25693	3.0
527.26428	24.3
528.27008	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03441	5.9
57.97987	6.1
59.01226	13.0
61.85183	7.2
68.99677	8.2
78.95741	7.2
88.29939	7.9
92.22494	7.4
114.23164	8.0
117.34412	7.3
125.23208	7.6
128.03391	15.0
157.43982	8.1
164.83536	14.1
167.53442	7.8
209.94664	9.3
210.94298	14.6
232.71391	9.9
233.91446	13.4
254.93324	18.2
255.23273	11.7
305.24936	15.9
315.77484	8.8
319.26517	12.5
361.23871	13.7
362.24429	10.8
389.82858	10.2
446.20093	10.0
451.13235	50.2
452.12485	20.2
453.12823	100.0
454.13339	10.6
461.60703	9.2
527.30145	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00071	1.9
59.01242	100.0
59.02289	1.3
60.01580	0.4
60.54290	0.3
61.98700	0.6
63.14000	0.5
63.14370	0.3
65.49260	0.3
85.00385	0.4
93.29173	0.3
94.73811	0.4
96.58562	0.4
108.13414	0.4
111.62130	0.3
127.81038	0.4
215.10786	0.4
217.12195	0.6
233.11803	0.5
243.10318	0.5
245.11821	1.9
259.09772	0.6
273.07730	0.6
277.10681	1.0
491.24472	1.0
527.26105	0.9
553.76196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59275	0.2
57.03329	0.4
59.01246	0.4
61.97282	1.2
61.98692	100.0
61.99960	1.7
66.87226	0.2
70.98937	0.2
72.48301	0.2
74.02305	0.2
83.01252	0.4
93.03291	0.3
96.95867	1.3
105.01818	0.3
107.01262	0.3
107.91814	0.2
109.02838	0.3
123.04434	0.3
125.02309	7.9
128.03439	0.7
137.02324	0.4
138.91655	0.2
143.04512	0.4
149.02325	1.1
151.00270	2.4
153.01833	1.9
167.03395	0.5
168.03647	0.3
175.00264	0.6
175.03976	0.9
177.01897	1.8
178.99817	1.4
181.01314	1.0
195.02905	0.2
199.03937	0.4
206.61127	0.3
212.87535	0.3
216.34843	0.2
217.05135	0.4
241.05090	0.3
259.05988	0.3
266.78391	0.2
275.05634	2.2
285.04053	5.0
285.07019	0.3
299.05753	0.7
303.05112	19.5
304.05368	0.4
341.05078	1.1
343.06967	0.6
437.10852	0.3
465.10400	3.0
478.12192	0.3
528.17828	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22689	0.1
54.87445	0.1
59.01237	0.9
66.63269	0.1
78.95757	0.6
79.95592	1.6
82.03782	0.1
84.51075	0.1
88.84784	0.1
89.02287	0.1
96.93385	1.5
96.95871	100.0
96.98659	0.9
101.02316	0.1
106.52026	0.1
113.02340	0.1
227.03462	0.8
255.03011	1.3
257.04572	0.2
284.03275	1.4
285.04068	1.4
285.33234	0.1
431.09875	3.1
529.25806	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	529.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92017	1.0
58.18096	0.9
59.01231	4.2
61.92427	0.8
61.98690	0.9
73.02799	0.9
75.00666	1.1
78.95750	3.8
82.95258	5.8
83.01247	1.5
87.00710	1.3
88.03812	1.1
90.69781	0.9
93.03291	2.5
96.95867	100.0
96.96754	5.8
96.98341	1.6
101.02297	3.3
102.05609	1.0
107.01301	1.0
109.02806	4.2
111.04353	2.1
112.70725	1.0
121.02813	2.8
123.00742	3.1
123.04369	3.6
124.01521	1.4
125.02314	37.7
128.03416	2.8
135.04396	2.3
137.02327	15.1
139.03905	11.8
144.11389	1.2
149.02304	2.9
151.00273	5.0
151.03851	2.6
161.02347	1.2
164.00996	2.1
165.00526	1.8
165.01833	20.5
167.03407	13.4
169.01282	4.2
177.01842	5.2
177.05377	1.8
179.03387	5.3
183.02901	6.1
191.03445	1.2
195.02930	7.8
200.49852	1.2
203.49901	1.0
204.04298	2.0
211.02420	29.0
219.06604	2.5
221.04521	2.6
223.02419	10.5
231.06575	4.3
246.20837	1.4
250.07050	1.0
261.07834	1.4
273.07733	2.7
293.38022	1.0
305.06653	19.1
306.07343	1.2
317.06656	9.0
344.92499	1.2
361.05618	2.9
380.92606	1.1
443.09821	4.7
469.23193	1.2
510.13611	1.2
529.09814	34.0
530.10144	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	529.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92017	1.0
58.18096	0.9
59.01231	4.2
61.92427	0.8
61.98690	0.9
73.02799	0.9
75.00666	1.1
78.95750	3.8
82.95258	5.8
83.01247	1.5
87.00710	1.3
88.03812	1.1
90.69781	0.9
93.03291	2.5
96.95867	100.0
96.96754	5.8
96.98341	1.6
101.02297	3.3
102.05609	1.0
107.01301	1.0
109.02806	4.2
111.04353	2.1
112.70725	1.0
121.02813	2.8
123.00742	3.1
123.04369	3.6
124.01521	1.4
125.02314	37.7
128.03416	2.8
135.04396	2.3
137.02327	15.1
139.03905	11.8
144.11389	1.2
149.02304	2.9
151.00273	5.0
151.03851	2.6
161.02347	1.2
164.00996	2.1
165.00526	1.8
165.01833	20.5
167.03407	13.4
169.01282	4.2
177.01842	5.2
177.05377	1.8
179.03387	5.3
183.02901	6.1
191.03445	1.2
195.02930	7.8
200.49852	1.2
203.49901	1.0
204.04298	2.0
211.02420	29.0
219.06604	2.5
221.04521	2.6
223.02419	10.5
231.06575	4.3
246.20837	1.4
250.07050	1.0
261.07834	1.4
273.07733	2.7
293.38022	1.0
305.06653	19.1
306.07343	1.2
317.06656	9.0
344.92499	1.2
361.05618	2.9
380.92606	1.1
443.09821	4.7
469.23193	1.2
510.13611	1.2
529.09814	34.0
530.10144	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	529.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08475	0.9
56.10562	1.1
57.54516	0.8
59.01247	1.3
61.98687	2.7
68.99941	0.9
69.72813	0.9
71.01238	2.0
79.95599	1.9
80.96355	1.5
93.03316	83.3
94.03635	1.2
96.95879	7.2
109.02818	1.2
117.60392	1.0
125.02285	2.5
137.02322	100.0
167.03409	1.3
177.01834	2.0
229.01677	3.4
306.10715	1.3
384.67694	1.1
391.07007	2.4
529.10193	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37742	0.2
57.76110	0.2
59.01244	1.6
60.99167	11.6
69.03305	0.5
71.01243	0.3
72.99165	1.7
73.02792	0.4
77.00015	0.2
88.96346	1.4
88.98658	100.0
89.00651	1.3
89.22729	0.2
89.98982	0.4
96.95874	1.3
97.02816	0.9
113.02319	1.9
125.02312	4.7
138.53938	0.3
141.01799	0.7
151.90808	0.2
202.06439	0.3
215.19496	0.3
231.13922	0.3
259.13379	0.5
303.12311	0.4
365.12338	0.3
383.13510	5.5
384.13519	0.6
385.13959	0.4
411.12955	0.4
439.12204	1.7
529.01697	0.3
529.52374	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.12
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58003	0.3
59.01242	0.7
60.98857	0.7
60.99168	11.9
66.36885	0.3
72.99150	1.1
88.98658	100.0
89.00819	1.4
96.95855	0.9
105.83739	0.3
113.02296	1.2
125.02309	0.8
141.01826	0.8
143.03380	0.4
156.43929	0.3
164.04768	0.3
191.10753	0.3
241.00468	0.5
259.13538	0.4
321.13501	1.1
345.48669	0.3
348.47589	0.3
365.12152	0.4
383.13449	3.2
384.14047	0.6
385.14032	0.3
439.12552	2.1
448.32483	0.4
452.95270	0.3
529.18695	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	529.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49212	0.2
58.33943	0.2
60.23525	0.1
78.95773	1.9
79.95596	1.7
96.93599	1.1
96.95868	100.0
96.96863	3.5
96.98495	1.3
100.74827	0.2
115.13695	0.2
125.02340	0.2
128.03403	0.2
167.03438	0.2
194.14595	0.2
365.28555	0.2
433.31842	0.2
458.49817	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	529.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87501	0.1
64.22759	0.1
71.96339	0.2
78.95303	0.1
78.95765	2.5
79.95590	2.4
88.98661	0.4
93.03302	0.2
93.51008	0.1
96.93101	1.0
96.95869	100.0
96.96754	5.2
96.98328	1.6
100.61788	0.1
109.02823	0.3
123.04416	0.2
125.02317	0.3
135.04413	0.3
137.02318	0.3
138.72064	0.2
149.02394	0.1
151.00284	0.2
165.01810	0.2
165.05457	0.3
167.03310	0.2
171.07658	0.2
172.44737	0.2
178.91656	0.1
196.02408	0.2
203.07028	0.1
241.00156	0.7
245.08310	0.2
287.02032	0.2
289.07199	0.5
354.14236	0.2
437.64572	0.2
469.15268	0.3
484.16516	0.2
529.16461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20027	0.2
55.26957	0.2
56.21954	0.2
57.03302	1.3
59.01237	2.2
60.99147	0.3
64.64034	0.3
67.01743	3.5
67.73644	0.2
69.03307	0.6
71.00884	0.2
71.01240	3.2
72.99139	0.3
73.02776	0.4
81.03304	0.8
83.04872	0.8
85.02801	1.0
87.00721	0.5
89.02318	0.4
93.00855	0.3
93.03313	23.0
94.03642	0.2
96.95869	2.1
99.00730	0.5
99.04359	0.8
101.02309	0.7
105.01758	0.3
109.02805	0.8
111.00743	0.5
111.04375	4.6
113.02270	0.4
115.00201	0.3
121.02837	0.3
125.02305	1.0
129.84935	0.3
133.02859	0.3
134.03610	11.9
137.02316	5.2
139.03899	0.6
149.05974	4.1
155.03383	3.8
155.99217	0.3
161.04498	0.3
165.01819	0.4
172.98083	1.0
173.04454	100.0
174.04813	1.7
175.02359	0.7
175.07870	0.3
177.01855	0.3
178.02625	7.5
191.05501	1.6
192.05914	0.5
193.04971	23.9
194.05231	0.4
223.02377	0.4
305.06741	0.5
308.45566	0.3
349.24817	0.3
355.10440	4.5
367.10239	0.7
384.15881	0.7
385.16275	0.7
529.15533	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	529.1928
Annotation	Phenazostatin B
Peak:m/z	Relative Intensity
51.93074	0.9
58.55423	1.0
59.00002	1.3
59.01242	100.0
63.00683	0.9
69.03313	1.1
71.01238	35.3
72.36317	0.9
72.99152	1.3
73.02804	51.6
82.95281	1.1
83.01242	11.9
85.02796	10.5
87.00742	2.4
89.02300	22.9
91.72791	1.3
92.85250	0.9
95.01240	2.4
96.95872	24.0
96.96837	2.8
97.78159	1.0
101.02303	43.5
113.02303	33.3
113.03099	1.3
119.03379	11.2
125.02325	4.0
128.03435	1.3
131.03363	4.1
135.04411	2.9
143.03394	5.6
149.04425	7.5
152.01077	4.1
155.03395	1.7
161.04463	14.6
167.03381	5.8
179.05528	8.9
191.05531	1.8
221.06654	2.2
229.02745	1.4
357.41473	1.3
390.33145	1.3
425.18167	12.2
443.19269	2.6
485.20435	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	529.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58734	0.9
55.01731	1.7
56.47341	0.9
57.03308	2.4
58.99968	1.6
59.01242	100.0
59.02376	1.5
60.99166	9.5
61.98695	15.3
71.01237	22.8
72.99166	1.7
73.02802	9.4
75.00725	1.4
83.01238	5.1
84.02023	2.3
85.02802	14.3
87.00741	2.7
88.96289	1.5
88.98660	83.2
89.00760	1.5
89.02298	5.5
89.99008	1.3
95.01237	1.4
96.95861	20.7
96.96817	2.6
97.02852	2.9
98.95444	2.9
99.00738	2.0
99.23876	1.1
101.02306	16.5
113.02317	16.7
117.97070	1.3
119.03371	1.4
125.02319	5.2
131.03394	1.1
139.07506	1.5
143.03368	4.3
145.06500	2.6
161.04448	10.3
173.05984	1.9
177.01845	1.3
190.03934	1.1
227.03477	6.6
227.10680	1.4
245.11803	14.4
246.12129	1.7
255.02997	9.3
263.12891	1.4
263.16696	1.7
271.02582	3.5
277.14636	1.6
281.14011	2.1
284.03165	7.3
285.04025	2.8
300.02762	3.7
305.06897	1.4
323.22354	1.6
331.04709	1.6
341.14011	1.7
383.13602	4.1
389.16116	3.5
407.17157	14.0
425.18234	32.8
426.18161	1.9
443.19241	24.8
444.19748	2.0
447.09183	10.8
485.20377	4.1
517.84717	1.3
529.26654	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	529.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03072	0.7
53.89144	0.9
59.01239	2.2
61.98684	1.5
68.04836	0.7
69.03308	1.7
69.36397	0.8
71.04886	2.7
75.32888	0.8
78.95763	34.4
81.03300	0.9
81.28470	1.1
83.04875	2.4
83.45911	0.9
85.02794	1.8
96.96818	5.3
97.02809	2.5
97.06456	2.9
99.08020	1.1
107.04897	2.9
109.02824	1.7
109.06464	1.5
111.57535	1.0
119.04903	3.0
123.04391	1.1
125.05939	2.3
133.06476	3.7
135.04399	1.3
135.08043	2.4
137.05956	1.7
144.03270	1.0
144.05688	3.9
149.05975	2.3
161.05974	13.5
163.03625	1.1
163.07552	4.2
170.17714	1.2
177.05478	1.4
179.07085	1.6
199.11209	3.6
204.79341	1.2
207.06558	19.1
217.12294	100.0
218.12720	2.8
225.09326	2.0
233.11963	1.7
239.07245	1.3
241.01099	7.0
245.11862	3.2
259.13486	1.2
261.11343	18.6
271.13300	1.9
285.11252	1.1
297.14996	1.3
309.15033	1.6
349.21552	8.2
381.20615	1.8
397.20447	1.4
425.19818	3.1
469.18311	1.3
529.27948	37.9
553.03815	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03072	0.7
53.89144	0.9
59.01239	2.2
61.98684	1.5
68.04836	0.7
69.03308	1.7
69.36397	0.8
71.04886	2.7
75.32888	0.8
78.95763	34.4
81.03300	0.9
81.28470	1.1
83.04875	2.4
83.45911	0.9
85.02794	1.8
96.96818	5.3
97.02809	2.5
97.06456	2.9
99.08020	1.1
107.04897	2.9
109.02824	1.7
109.06464	1.5
111.57535	1.0
119.04903	3.0
123.04391	1.1
125.05939	2.3
133.06476	3.7
135.04399	1.3
135.08043	2.4
137.05956	1.7
144.03270	1.0
144.05688	3.9
149.05975	2.3
161.05974	13.5
163.03625	1.1
163.07552	4.2
170.17714	1.2
177.05478	1.4
179.07085	1.6
199.11209	3.6
204.79341	1.2
207.06558	19.1
217.12294	100.0
218.12720	2.8
225.09326	2.0
233.11963	1.7
239.07245	1.3
241.01099	7.0
245.11862	3.2
259.13486	1.2
261.11343	18.6
271.13300	1.9
285.11252	1.1
297.14996	1.3
309.15033	1.6
349.21552	8.2
381.20615	1.8
397.20447	1.4
425.19818	3.1
469.18311	1.3
529.27948	37.9
553.03815	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	100.0
61.98709	12.0
78.95760	24.6
96.95859	31.0
141.80322	13.2
152.99500	15.0
190.70433	10.9
221.08827	10.7
238.06741	14.1
244.11115	35.3
245.11902	56.8
260.40259	11.1
299.03839	13.5
313.79858	16.4
493.25958	46.6
529.30383	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	4.0
68.90782	0.6
69.44312	0.6
70.65730	0.7
78.95760	15.9
96.96809	2.0
105.03302	0.8
119.36164	0.7
121.02797	1.4
132.02037	3.3
133.02840	11.8
134.03613	3.0
135.04370	2.7
137.02321	2.1
141.09106	0.9
148.05170	2.4
160.01563	15.6
161.02335	6.5
161.05965	1.3
162.03108	0.8
175.03922	15.0
177.01857	0.8
178.02640	1.6
179.03377	4.1
193.08449	3.9
200.00748	1.8
241.01149	3.3
247.09633	1.2
261.11307	0.9
266.16782	0.7
310.14157	0.7
319.15491	14.5
319.19128	1.0
319.89212	0.8
339.25684	0.9
345.17078	1.5
348.62488	0.8
349.16748	1.6
349.21423	3.5
351.21335	1.0
353.22403	1.2
387.16235	0.9
401.23236	1.4
496.24420	1.3
514.25482	22.2
529.27832	100.0
530.28882	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	529.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87610	11.0
53.22925	13.5
59.01256	28.1
59.45844	12.8
61.98711	52.9
69.83713	13.9
71.01261	24.9
72.99170	23.0
80.91589	27.8
82.95329	13.4
88.98644	67.9
89.02335	19.4
96.95855	100.0
98.64021	13.5
99.47221	12.7
101.02296	18.8
102.09438	13.0
105.01791	30.7
109.02889	20.6
113.02370	16.7
114.87553	15.4
121.02874	42.2
135.04517	16.6
153.01898	14.8
194.39636	13.9
220.25662	16.4
221.67256	13.6
230.45543	14.6
294.88663	18.4
329.03299	21.3
397.17236	17.6
447.22693	47.7
491.11920	21.8
529.27393	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	4.7
57.77187	0.7
59.01242	20.9
61.98695	1.1
62.25602	0.8
64.07809	0.7
65.77607	1.1
69.03312	12.1
71.01254	3.8
73.02804	3.6
84.01999	1.3
85.02813	1.7
93.03328	2.5
96.95893	1.4
105.55491	0.8
107.04872	2.0
109.02802	2.3
121.06499	1.3
123.08028	7.7
125.09612	1.7
131.13072	0.8
133.06424	2.5
135.04411	0.9
136.05197	1.3
143.04910	1.7
145.06470	1.9
149.05969	2.3
149.98453	0.9
161.06047	1.2
162.06750	1.4
171.04428	2.5
172.05244	5.7
173.05876	1.1
174.06729	1.9
187.09650	1.0
199.11243	4.3
201.12827	2.1
202.06334	1.2
203.10735	1.8
205.08615	2.6
205.12271	3.9
205.16650	0.8
215.06950	0.8
215.10713	20.8
217.12289	35.4
218.12718	1.4
221.11832	1.5
222.09549	0.9
227.10625	1.1
229.12312	15.9
233.11794	46.2
235.13536	1.3
243.10243	3.2
245.11821	53.9
246.12456	3.7
247.13376	17.6
251.12953	3.2
261.11212	1.2
261.13800	1.0
263.12878	2.0
265.14502	10.4
283.15533	100.0
284.15921	1.7
285.20691	1.3
327.14478	2.5
329.15479	1.1
411.08972	1.0
529.27264	2.3
529.34216	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	529.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01856	0.6
56.70639	0.7
61.98685	1.5
66.56147	0.7
67.59748	0.6
69.21796	0.6
69.82002	0.6
71.01251	0.7
71.29954	0.5
78.95759	14.0
79.22422	0.6
96.96815	2.3
105.03333	1.2
112.24406	0.6
123.04343	0.8
126.29821	0.6
132.02032	3.2
133.02824	12.6
134.03624	4.3
135.04373	3.4
137.02328	1.3
147.04387	0.7
148.05142	2.8
160.01558	15.8
161.02335	5.7
161.05971	2.1
162.03032	0.9
175.03914	11.6
177.01805	2.1
178.02637	2.0
179.03409	5.8
183.10121	0.8
183.53880	0.7
190.65730	0.7
193.08420	4.9
200.00867	1.7
214.97569	0.8
238.75633	0.7
241.01102	2.9
247.09779	1.7
275.12781	0.8
306.56726	0.9
319.15561	15.9
320.16003	0.9
349.16806	1.3
349.21442	5.6
360.79422	0.8
387.16241	0.8
424.95670	0.9
447.27524	0.9
507.21750	0.8
514.25488	24.0
529.27826	100.0
530.28186	4.2
544.21002	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62026	0.9
55.42208	0.9
59.01234	4.3
61.98719	0.9
71.01227	3.3
96.95889	2.6
99.00726	10.3
117.03327	26.8
118.04131	2.1
119.04893	53.8
121.02812	6.2
123.04414	1.8
133.02884	2.2
145.02837	100.0
146.03188	2.0
149.02406	1.2
161.17316	1.0
162.03154	1.6
163.02521	2.0
163.03905	41.8
164.04649	1.4
264.83817	1.1
293.21231	1.4
309.24222	1.4
323.15540	1.3
337.23792	4.5
347.22385	4.4
365.23328	16.4
383.24408	29.6
400.84451	1.4
451.24625	2.6
467.28143	1.6
469.19260	1.7
469.25793	4.1
493.26025	1.8
499.27151	11.4
501.28668	7.9
511.27026	74.2
512.27319	2.2
529.28125	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02829	3.4
59.01233	6.4
61.98689	2.2
70.02827	5.3
71.01243	2.2
72.00790	1.4
78.95752	1.4
89.02281	1.3
94.40418	1.0
96.00783	3.4
96.95875	1.8
97.15578	1.2
101.02335	1.4
103.82156	1.2
113.03394	1.2
117.03331	37.8
118.04095	5.3
119.04895	45.5
121.02818	14.3
123.04406	2.2
128.03194	1.3
133.02776	1.6
145.02835	100.0
152.99435	2.1
161.04440	1.2
162.03160	3.7
163.03914	30.0
205.73761	1.2
235.17017	8.3
253.09326	4.2
275.20172	11.4
290.02991	1.2
293.21225	16.7
304.22839	2.7
322.23837	1.5
365.24396	3.2
383.25607	23.4
414.26550	8.9
442.29565	12.8
468.27377	11.8
485.30261	91.4
486.30585	3.9
494.25644	3.5
511.28055	4.7
512.26288	2.7
529.29236	46.6
530.29669	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	529.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63869	0.7
53.24424	0.6
54.14202	0.6
58.02840	2.4
59.01235	2.4
60.62552	1.4
60.62831	0.8
61.78850	0.6
61.98693	1.4
63.47970	0.6
70.02824	5.5
71.01222	0.8
72.00753	1.6
78.95792	0.8
86.02339	0.7
93.03307	0.8
96.00780	2.5
103.74654	0.6
117.03328	39.9
118.04125	5.1
119.04893	47.0
120.05194	0.7
121.02819	11.6
123.04415	3.6
123.42188	0.7
131.54187	0.6
133.02829	2.6
134.03630	1.4
145.02837	97.0
145.48982	0.7
153.26704	0.7
162.03131	4.0
163.03909	24.6
195.24240	0.8
242.33705	0.6
249.65138	0.7
292.20029	1.5
303.83096	0.7
304.23010	1.8
311.05432	0.7
322.23740	2.0
339.55869	0.8
365.24506	2.0
366.23105	1.1
383.25583	18.0
414.26566	12.2
424.28531	1.3
426.26584	1.5
442.29730	13.4
460.99435	0.7
468.27539	11.7
485.30249	100.0
486.30591	2.9
494.25775	3.7
511.28058	3.5
512.26733	1.0
529.29248	33.7
530.29669	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00966	0.7
59.01241	8.1
61.98702	1.5
67.42270	0.4
68.01076	0.9
71.01241	5.4
73.02793	0.5
78.95771	3.5
83.01260	1.0
85.02793	1.5
87.00740	0.9
89.02296	5.5
96.96798	0.5
101.02299	7.9
105.71120	0.5
111.32668	0.5
113.02280	3.6
117.03313	1.2
119.03374	2.0
119.04901	1.8
138.12439	0.6
145.02840	3.6
148.99973	1.5
161.04437	3.5
163.03903	1.0
179.05530	1.2
179.14288	0.9
194.10629	0.7
195.13831	9.7
195.30426	0.5
196.14459	1.0
205.12387	0.7
205.15807	0.5
223.13359	5.1
231.21198	0.7
245.20821	0.5
253.09276	29.5
254.09741	0.6
256.13196	1.7
275.20184	5.3
292.20041	0.8
293.21240	100.0
294.21509	3.9
428.29462	0.5
442.29797	0.6
447.13513	6.8
486.32523	2.8
492.22534	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.3
58.67226	0.2
58.91374	0.2
59.01241	7.4
61.36508	0.2
61.98684	0.9
68.01070	0.4
69.03306	0.3
71.01237	4.5
73.02789	1.0
76.76892	0.2
78.95756	0.5
79.23761	0.3
83.01237	0.6
85.02794	0.9
87.00740	0.3
89.02293	4.8
95.01221	0.5
95.04858	0.4
97.02763	0.3
99.00750	0.3
101.02299	6.2
111.01873	0.3
111.08049	0.4
113.02290	2.2
119.03376	1.4
119.04832	0.3
125.23617	0.3
131.03322	0.4
136.20860	0.3
143.03369	0.7
145.02847	0.8
152.99498	0.4
161.04474	2.9
167.10641	0.4
177.12685	0.4
179.05533	1.2
179.14308	0.8
195.13841	8.8
196.14568	1.2
205.12276	0.8
205.15886	0.4
211.13293	0.3
223.13356	5.8
228.13643	0.4
231.21259	0.4
235.17004	1.0
253.09280	27.4
254.09679	0.5
256.13248	1.8
275.20187	7.1
289.18106	0.3
293.07330	0.8
293.21237	100.0
294.21564	2.9
353.45523	0.3
486.32236	0.7
492.22339	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70419	0.8
58.99956	2.1
59.01242	100.0
59.02378	1.9
59.22265	0.7
63.57266	1.1
72.85600	0.7
73.75500	0.8
91.72562	0.9
99.08011	1.6
101.05927	0.9
102.26206	0.8
112.02673	0.9
118.01237	0.9
135.04399	1.1
137.05962	1.0
139.07634	0.9
149.05975	1.8
162.03098	1.5
217.12379	1.4
223.20671	1.5
229.08980	1.1
231.10214	1.2
233.11783	9.4
245.11794	3.3
247.13409	1.1
261.11310	10.9
285.20712	1.5
305.24899	2.8
413.19781	1.4
493.26395	1.7
529.27454	4.6
529.34485	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	530.167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.2
61.97428	1.8
61.98693	100.0
62.00121	1.1
62.51175	0.1
78.95776	0.2
106.37835	0.1
121.63194	0.2
124.44611	0.2
133.06433	0.3
160.08223	0.2
161.06000	0.2
217.12390	0.3
218.12819	0.2
260.65723	0.2
299.46109	0.2
320.66891	0.2
341.68286	0.2
363.63531	0.2
364.09357	0.2
431.73050	0.2
434.31052	0.2
448.47736	0.2
461.35263	0.2
529.29199	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	530.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87437	0.1
59.01231	0.2
61.97381	1.8
61.98693	100.0
62.00173	0.6
66.11063	0.1
78.95749	0.1
81.41444	0.1
87.04360	0.1
96.56519	0.2
102.31596	0.2
108.77756	0.2
123.20615	0.2
168.65855	0.2
217.12314	0.3
218.12735	0.2
234.50999	0.2
237.52859	0.2
255.03108	0.2
283.02579	0.2
301.77911	0.2
469.17831	0.2
529.28442	0.2
532.10852	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	530.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51401	0.2
61.97415	1.8
61.98692	100.0
62.00122	1.2
67.34055	0.3
77.96021	0.2
78.95754	1.9
82.25679	0.2
84.39655	0.3
90.78728	0.2
122.69398	0.3
133.02834	0.7
160.01646	0.8
175.03987	0.8
177.01836	0.3
179.03455	0.4
193.08513	0.5
219.12711	0.4
236.06848	0.3
241.01286	0.6
261.71313	0.3
267.17831	0.3
319.15625	0.7
320.15839	0.5
349.21683	0.5
495.98569	0.3
514.26111	0.8
515.25897	0.6
529.27783	5.4
530.28278	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	530.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40944	0.2
51.06491	0.1
56.14973	0.2
61.55001	0.2
61.61067	0.2
68.99444	0.3
78.94069	0.2
78.95758	15.0
85.37954	0.7
88.98622	0.3
89.02289	0.3
96.95864	2.4
96.96831	0.5
98.04331	0.2
103.62218	0.2
113.41289	0.2
150.41060	0.2
152.99467	3.5
157.98433	0.4
168.04179	3.1
187.32608	0.2
194.05661	0.3
206.54201	0.2
221.35017	0.2
222.65845	0.2
224.06883	7.9
242.07968	1.6
255.23286	100.0
255.34503	0.9
256.23627	2.3
305.24799	0.6
433.23441	0.3
480.30960	65.3
481.31454	2.4
530.32031	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.13
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33578	0.8
58.25902	0.9
59.01239	1.6
61.98699	1.2
75.49373	0.9
77.61020	1.0
88.98637	1.6
92.80392	1.0
96.95876	3.5
108.02045	2.2
109.02823	2.3
118.10033	0.9
134.11754	1.0
135.04393	14.0
135.05363	1.5
142.55568	1.0
151.64220	1.1
153.01857	1.3
153.39085	1.1
162.03122	7.7
163.03964	1.7
167.03484	2.1
177.05539	4.3
179.03413	6.2
225.05511	1.3
237.05606	1.7
237.09322	1.1
238.06392	1.3
249.05972	1.3
251.07164	2.0
253.05013	2.5
263.07187	1.7
264.88791	1.3
266.05841	4.0
267.06656	2.2
274.05927	1.4
279.06512	2.0
281.04886	1.3
281.08075	2.1
291.06656	2.7
292.07352	4.0
295.05887	1.5
305.04651	1.3
308.07089	1.8
309.07663	3.4
310.04642	1.4
311.05414	1.3
319.06049	3.0
320.06863	12.0
321.07678	21.9
324.09949	1.7
335.09286	10.0
364.05920	1.9
365.06845	5.3
367.20923	3.4
379.08392	11.0
383.09311	1.9
383.17569	1.6
415.11847	2.7
429.09872	4.4
443.11359	2.6
459.14551	23.4
495.17096	1.3
503.13507	100.0
504.13986	6.1
531.12708	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	531.151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00323	0.3
54.55241	0.3
55.45195	0.3
57.03305	1.1
59.01245	2.3
60.99167	0.8
62.35165	0.3
63.09258	0.4
64.67443	0.3
67.01746	4.6
69.03310	1.0
71.01234	4.1
72.99166	0.6
76.89574	0.3
79.12289	0.3
81.03315	1.0
83.04874	1.1
85.02808	1.0
87.00729	0.8
88.98668	0.5
89.02287	0.5
91.72773	0.7
93.00882	0.5
93.03316	26.2
95.04910	0.6
96.95858	2.5
98.95438	0.6
99.04405	0.5
101.02283	1.0
105.03318	2.3
109.02833	1.7
111.00744	1.1
111.04384	5.1
112.09882	0.3
113.02319	0.6
121.02868	0.6
125.02309	0.7
132.02112	0.4
133.02831	14.3
134.03586	2.8
135.04385	3.8
137.02341	5.1
146.03586	0.4
149.05972	0.8
150.03014	0.6
151.03850	0.6
155.03395	4.4
172.98430	1.1
173.04462	100.0
177.01857	10.1
178.02663	2.5
179.03438	2.3
179.07019	1.2
191.05486	2.8
223.07655	0.6
276.22528	0.4
281.12201	2.2
295.19046	0.4
327.08835	1.2
339.08774	1.3
351.07144	1.9
357.09857	3.0
443.09808	0.4
531.14777	2.6
531.27576	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51791	0.1
59.01243	1.8
60.37733	0.1
60.58887	0.1
61.98689	0.1
65.22641	0.1
67.17132	0.2
71.01237	0.6
72.72469	0.1
73.02811	0.5
78.46532	0.1
78.95758	2.5
79.95596	1.4
82.95258	0.2
83.01204	0.2
83.18316	0.1
83.58806	0.1
85.02819	0.2
87.00711	0.3
88.98659	0.2
89.02303	0.4
96.93229	1.3
96.95869	100.0
96.96757	5.4
96.98149	1.1
97.50778	0.1
98.95428	0.3
99.00713	0.3
101.02303	0.6
107.70798	0.1
111.04369	0.2
123.04417	0.1
125.02332	0.1
128.03363	0.2
137.02367	0.2
167.03441	0.2
169.08611	0.2
171.00014	0.2
173.04500	0.3
179.05785	0.2
216.38333	0.2
259.09802	0.2
281.14001	0.5
466.59467	0.2
528.43658	0.2
528.69507	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	532.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	1.8
60.56070	1.0
61.97448	1.7
61.98693	100.0
62.00112	1.2
99.04483	1.3
103.35251	1.1
121.48398	1.2
123.10204	1.2
135.08943	1.1
146.12756	1.4
164.54504	1.3
312.88419	1.3
330.84610	1.4
481.53177	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24660	0.5
57.57986	0.5
61.97504	1.4
61.98693	100.0
62.00047	1.5
75.93423	0.4
78.95793	0.5
145.33423	0.5
151.03938	0.6
203.09453	0.5
239.59538	0.5
268.78885	0.6
352.69861	0.5
470.06424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.7
57.60996	0.8
59.01235	1.1
61.98694	100.0
62.00031	1.7
71.01237	0.7
83.01247	2.8
84.05282	0.5
84.38570	0.5
87.00737	3.1
92.56446	0.5
96.95895	2.0
103.32877	0.5
103.91918	1.6
111.00771	0.6
112.98668	17.7
112.99461	0.9
121.02855	0.5
142.99799	1.1
152.99509	0.6
154.99754	10.5
157.49515	0.6
160.84175	0.8
175.29732	0.5
189.12866	0.7
191.14337	1.1
200.95474	1.1
213.94885	0.7
226.95816	0.6
233.91434	0.7
277.21790	7.3
289.21902	1.2
303.07043	1.4
304.07477	1.2
305.24875	0.7
307.26526	0.8
308.64914	0.6
318.05673	2.3
347.05774	2.8
348.06482	1.8
355.02350	0.7
361.24103	1.2
433.22189	3.7
458.17935	2.3
459.18646	2.2
460.18768	3.7
492.17310	0.8
494.15497	1.5
495.16479	1.1
496.16324	6.5
497.16141	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	532.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11678	0.4
52.74492	0.7
53.35238	0.5
53.78598	0.4
59.01243	1.3
59.69016	0.5
60.75664	1.6
60.75946	0.7
61.98684	1.6
78.95760	1.8
93.03294	0.8
96.79339	0.5
117.03332	32.1
118.04218	2.6
119.04896	38.2
120.05254	1.0
121.02831	8.7
121.88171	0.5
123.04379	1.8
133.02820	2.5
134.03615	0.9
145.02838	78.5
145.07515	1.0
146.03203	1.9
152.99490	2.3
162.03117	4.8
163.03915	20.9
167.08534	0.6
167.19153	0.6
199.32860	0.7
336.49927	0.7
342.24625	1.1
380.35345	0.6
386.23859	3.3
416.28180	1.1
442.29675	3.8
443.30011	0.9
444.29980	1.3
454.29556	6.2
464.53192	0.7
487.32455	2.4
488.28366	100.0
489.28928	3.3
489.34702	0.8
498.28873	0.8
532.27252	12.1
532.34973	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15183	0.1
56.74654	0.1
57.03323	0.2
59.01228	0.9
60.23934	0.1
67.01759	0.3
70.21758	0.2
71.01242	0.6
73.02808	0.3
79.54580	0.2
81.03300	0.3
83.04877	0.5
85.02802	7.1
87.00734	1.4
93.03313	2.5
99.04381	0.4
109.02804	0.7
111.04398	1.1
113.02292	0.3
121.93398	0.2
127.03864	1.5
155.27155	0.2
171.02911	0.4
173.04488	0.7
191.05533	100.0
191.12328	1.1
192.05872	0.6
310.96265	0.2
465.43729	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	533.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57542	0.1
53.60036	0.1
59.01244	1.2
63.53609	0.1
67.01740	0.4
71.01224	0.6
73.02806	0.2
81.03297	0.3
83.01256	0.1
83.04877	0.3
85.02802	6.8
87.00732	1.6
88.07462	0.1
91.73337	0.3
93.03305	2.4
96.95840	0.2
96.96813	0.2
99.04372	0.3
109.02817	0.6
111.04369	1.0
113.02313	0.1
119.07409	0.1
121.62713	0.1
125.02327	0.1
127.03880	2.0
137.02315	0.2
143.03319	0.1
171.02885	0.6
173.04433	1.0
183.86748	0.1
190.98438	0.9
191.05530	100.0
192.05861	1.8
196.02934	0.2
227.68712	0.1
323.43173	0.1
371.32794	0.1
544.50323	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	533.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62984	0.1
51.30939	0.1
52.51342	0.1
53.85968	0.1
54.84283	0.1
56.19476	0.1
59.01237	1.9
61.98677	0.2
71.01247	0.8
73.02802	0.2
74.53728	0.1
78.95761	2.5
79.95584	1.9
82.77146	0.1
83.01225	0.1
85.02792	0.1
89.02301	0.9
96.93407	1.5
96.95867	100.0
96.96750	4.4
101.02299	0.5
113.02295	0.3
114.93274	0.2
119.03344	0.4
125.02322	0.5
141.98405	0.1
180.00206	0.1
186.19693	0.1
193.15979	0.2
198.99174	0.4
213.00899	0.2
290.94479	0.1
353.13181	0.3
371.24414	0.2
435.22409	2.7
473.17212	0.3
533.19330	0.4
533.29736	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	0.3
58.00468	0.2
58.99914	0.2
59.01242	16.0
59.02415	0.3
60.01604	0.1
69.03306	0.7
70.95508	0.1
71.01237	5.3
72.99162	0.3
73.02803	4.2
74.52618	0.1
79.55910	0.1
81.03316	0.5
83.01228	0.7
85.02803	2.4
87.00720	0.8
87.04384	0.2
89.02298	4.8
95.01217	0.2
96.95868	0.7
97.02814	1.2
99.00730	0.3
101.02302	7.2
103.03869	5.6
109.02816	0.6
112.50275	0.2
113.02357	0.3
115.03883	0.8
119.03381	2.6
125.02307	5.7
127.03869	0.6
131.03319	0.7
143.03365	1.2
145.04936	1.3
146.53960	0.1
163.06020	9.3
165.09106	100.0
165.14507	1.1
166.09436	2.0
167.03413	0.2
179.10712	0.3
205.07120	1.3
247.08231	1.3
259.91849	0.2
289.09317	0.5
307.10370	13.1
308.10733	0.4
321.38873	0.2
334.11304	0.2
437.67740	0.2
473.20319	8.8
474.20605	0.5
516.18512	0.2
533.29346	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	533.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91198	59.0
58.77461	59.9
59.01239	74.8
65.20149	62.1
73.67575	68.0
83.47438	66.3
99.08012	70.5
102.08969	80.1
146.61305	73.1
148.15106	75.1
160.15825	75.5
172.83766	79.0
189.02196	71.7
275.11951	77.6
292.28250	80.9
320.53311	76.9
327.57010	97.7
352.46985	93.5
400.95084	100.0
518.21967	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	41.8
61.15431	33.7
67.10196	32.8
96.95883	34.5
131.65678	32.3
148.00546	37.9
152.99553	97.5
164.10165	39.4
219.24815	37.4
305.24802	100.0
374.78912	40.6
533.29651	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72287	0.3
57.03312	1.0
58.00440	0.5
59.01242	9.5
60.99171	0.8
61.89055	0.3
61.98685	1.1
67.01747	4.6
68.23402	0.3
69.03316	1.5
70.28280	0.7
71.00872	0.4
71.01241	5.1
71.04854	0.3
73.02811	1.5
81.03316	1.2
83.01254	0.7
83.04876	1.4
83.79394	0.3
84.73579	0.3
85.02808	1.2
86.58788	0.3
87.00717	1.0
88.03854	0.3
88.98650	0.9
89.02305	1.9
91.72645	0.6
93.00784	0.4
93.03314	29.4
93.05560	0.5
94.03708	0.3
95.01224	0.4
96.02065	0.3
96.95862	2.7
98.95434	0.8
99.00713	0.6
99.04353	1.3
99.07993	0.4
99.92435	0.6
101.02292	2.1
103.50408	0.3
108.02052	0.5
109.02817	1.3
111.00759	1.4
111.04383	6.4
113.02299	1.1
113.09608	0.5
115.91943	0.5
116.91940	0.4
116.92719	1.0
119.03375	0.5
123.08018	0.5
128.03418	0.9
135.08022	0.9
137.02328	6.6
143.03453	0.3
143.04478	0.4
143.07076	0.3
153.09105	0.6
155.03377	6.6
155.04564	0.5
157.08665	0.7
166.05069	0.3
171.10168	1.4
173.04459	100.0
173.10149	1.0
174.04794	1.3
175.02414	0.4
191.05522	0.9
207.17451	0.4
225.18607	0.4
235.17065	0.4
241.18086	0.5
251.81197	0.3
252.07552	0.4
267.06549	0.5
268.06961	0.4
269.17590	0.5
271.19202	1.5
277.18112	0.4
279.06555	0.5
280.06833	0.5
283.19040	0.4
289.17978	0.6
295.05789	0.4
295.19009	0.9
301.20212	9.5
302.20587	0.3
306.07574	0.5
307.19147	1.3
310.08145	0.4
313.20224	14.7
313.79416	0.3
314.20395	0.5
324.06049	0.4
325.20242	7.5
326.20694	0.4
330.22910	1.5
338.07764	0.5
339.08517	0.5
341.10358	0.4
342.10733	1.7
342.22861	1.6
343.11688	0.6
353.10278	0.9
354.10608	3.5
360.23953	10.6
361.24213	0.4
495.25925	0.3
496.26361	8.6
498.26779	0.7
499.25494	0.7
534.29230	52.7
535.29834	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.0378
Annotation	UDP-L-arabinofuranose
Peak:m/z	Relative Intensity
51.73448	0.3
53.71634	0.4
57.96350	0.3
59.01242	0.8
62.96282	0.4
72.99139	0.4
78.93688	0.8
78.95761	100.0
78.97600	1.6
96.95935	1.9
96.96821	42.2
111.01867	11.7
120.96861	1.0
136.78333	0.4
138.97908	3.5
140.48337	0.4
146.98494	0.5
150.97916	4.2
158.92436	18.3
160.14607	0.4
164.03458	0.5
164.49565	0.4
174.97917	1.4
176.93506	1.2
192.99020	1.7
208.18207	0.6
210.98201	0.8
211.00075	10.2
226.84560	0.5
252.35924	0.4
272.95709	6.0
280.02258	2.4
289.34445	0.5
290.96658	3.5
305.01837	1.1
308.86160	1.4
323.02869	70.4
324.03201	0.9
384.98465	5.7
402.99591	2.1
503.07193	0.4
535.03735	29.8
536.03918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.146
Annotation	3,7,3',4'-tetramethylquercetin 2'-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.37485	0.7
59.01257	2.2
66.19937	0.8
67.30221	0.7
73.02814	0.8
73.77370	1.0
74.58534	0.9
85.02792	1.1
89.02321	2.0
90.76103	0.9
93.03340	1.3
96.95834	4.9
101.02286	1.5
108.02064	2.9
109.02814	32.8
109.03575	1.6
112.05171	0.8
121.02897	1.0
123.04420	2.5
125.02381	1.6
133.02859	2.3
137.02403	1.2
145.02898	1.3
146.03592	1.3
147.04471	2.5
148.05197	2.1
149.02350	1.6
158.79456	0.9
159.04411	17.6
159.05656	1.0
160.05241	3.3
168.96034	1.0
173.04587	1.7
173.06017	2.0
174.03195	1.1
175.03914	7.1
177.05566	2.4
179.07034	0.9
187.03949	3.5
188.04707	1.2
193.01375	1.6
200.60010	1.0
204.04266	1.4
207.06540	14.6
217.05038	2.7
219.06578	46.3
225.05611	1.3
229.04968	5.0
240.04326	1.3
241.00195	1.0
241.05109	3.2
243.06647	4.6
251.07056	2.3
253.05177	1.6
254.05875	2.0
255.06601	6.2
267.06705	2.0
269.08200	4.8
279.06580	7.7
282.05490	4.0
295.06223	3.4
296.06973	1.4
297.07663	20.4
301.10770	1.5
311.09335	2.3
323.05777	3.1
329.10315	20.9
329.13861	1.6
341.06689	16.2
355.11929	3.6
373.09250	100.0
374.09702	2.9
535.14929	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	535.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
78.03262	0.5
87.00735	8.6
93.03309	0.9
96.95886	0.8
108.02033	3.2
109.02808	1.5
121.02833	0.7
123.04391	0.7
126.90299	1.5
128.03409	4.2
128.46640	0.4
129.04904	0.5
130.97182	0.5
134.03629	1.1
135.04395	12.0
147.04463	1.1
156.73700	0.6
160.46320	0.5
165.05470	5.8
166.06206	1.1
179.03413	3.0
193.05147	0.6
193.55838	0.5
195.07985	0.7
209.06134	0.6
211.07605	0.7
221.06053	1.3
223.07651	1.1
227.03481	2.4
237.05563	1.0
238.06352	1.5
239.07054	2.9
240.04294	0.7
249.05611	1.3
250.06261	1.0
251.07092	0.8
253.05072	0.8
256.03799	1.5
265.05081	0.7
266.05844	3.5
267.06631	12.0
268.07220	0.8
270.05447	2.4
279.06613	1.4
280.07446	3.8
281.08151	2.6
282.09045	3.2
283.09644	0.7
285.07559	0.7
293.08185	2.2
294.09000	1.2
295.09695	2.8
302.04565	0.8
309.07721	0.7
310.04697	0.7
311.05743	2.4
312.06363	0.6
323.09067	1.3
324.10028	3.8
325.10803	10.8
326.07968	4.3
326.11383	0.7
339.12390	12.1
340.12918	0.6
368.08804	0.6
369.10001	3.4
383.11380	10.6
416.12769	0.6
417.13596	1.8
433.13187	2.1
447.10504	3.1
463.17673	17.0
464.18073	0.7
489.15149	1.1
507.16617	100.0
508.16858	4.2
535.16083	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	535.1671
Annotation	Desacetylhookerioside
Peak:m/z	Relative Intensity
57.03312	1.5
59.01237	9.5
61.85088	1.2
71.01240	6.2
71.42599	1.6
73.02801	4.9
78.95759	4.9
79.78244	1.2
81.03308	10.2
83.01239	13.6
85.02798	2.9
87.00687	2.0
87.18737	1.5
88.98667	1.8
89.02322	2.1
90.07423	1.4
93.03300	5.4
95.01241	2.7
95.04890	7.0
96.65458	1.5
96.95850	7.2
97.02827	5.2
98.24258	1.5
99.04380	4.7
101.02280	3.2
104.02474	1.3
104.55835	1.5
107.04887	3.4
109.02821	5.2
109.06490	2.7
111.00699	2.8
111.04356	3.3
113.02302	6.3
118.14731	1.4
119.04882	4.5
121.02822	4.3
121.06432	2.2
123.04390	24.6
123.07981	1.7
125.02321	23.5
127.04869	1.4
128.03418	4.1
135.04433	7.2
135.05382	1.4
137.02335	8.2
137.06004	11.8
139.03909	11.6
147.04401	1.6
149.02278	2.3
149.05963	3.7
151.03880	6.7
152.01085	2.4
153.01840	1.7
153.05382	2.7
155.03419	3.1
163.03902	6.8
163.07581	1.8
164.04688	1.9
165.01865	5.8
165.05467	10.6
166.02831	1.4
167.01981	3.0
167.03400	55.0
168.27557	1.6
173.04495	2.2
177.01862	2.7
177.05524	4.5
179.03423	13.4
179.07198	2.2
180.04214	2.6
181.05009	4.7
189.05482	2.1
191.03505	3.4
191.05408	1.5
193.04932	8.6
197.04482	11.9
205.05016	2.9
205.08582	1.8
207.06464	2.1
209.04494	75.7
211.06238	2.4
219.02986	2.9
219.06577	3.3
221.04517	17.0
223.06090	4.7
233.04578	2.0
235.06070	7.4
239.05598	35.0
247.06114	2.4
251.05600	72.9
253.07198	5.8
263.05600	9.4
265.07080	9.3
269.06720	7.4
277.07162	9.1
278.04260	1.9
281.06683	50.8
283.08264	4.4
289.07214	2.1
293.06689	5.6
295.08231	100.0
306.07587	2.5
307.08121	10.3
310.99664	1.9
311.07709	14.3
323.07718	2.4
325.09290	94.5
337.09271	7.0
349.09625	1.8
353.08676	2.3
355.10352	35.1
367.10355	2.3
379.10162	1.8
397.11337	14.9
415.12479	45.8
427.12653	11.6
431.19077	3.2
445.13498	5.8
517.15833	5.2
535.16589	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1822
Annotation	1-Hydroxypinoresinol 1-glucoside
Peak:m/z	Relative Intensity
59.01242	19.2
60.01559	0.8
60.74494	0.7
61.98683	1.7
62.89919	1.0
71.01244	3.9
72.99184	0.7
73.02806	4.9
83.01241	1.4
85.02808	1.3
87.00716	0.9
88.37829	0.6
89.02289	2.6
91.72714	1.2
96.95862	1.8
101.02308	7.0
108.02029	2.3
109.02811	29.0
113.02303	2.8
115.03902	1.0
121.02794	1.4
122.03576	1.2
123.00733	0.9
123.04375	5.0
124.01533	0.9
124.06039	0.6
128.03406	1.4
132.02126	0.7
134.03618	5.2
136.01537	13.4
137.02295	1.6
143.04486	1.1
145.02832	1.7
146.03610	8.6
147.04471	1.1
148.01555	7.0
149.02322	2.8
149.05959	4.7
150.03122	4.9
150.98749	0.7
151.02678	1.1
151.03902	25.8
153.05489	5.0
161.02313	2.8
161.04601	3.3
161.05981	3.4
162.03117	3.3
163.03897	14.3
164.01025	3.0
164.04700	7.8
165.01788	3.1
165.05420	2.3
166.02612	36.8
167.03456	3.4
173.04387	0.9
177.01913	1.9
177.05429	1.2
178.02629	7.3
179.03400	0.7
179.05524	1.5
179.07040	18.0
180.04111	0.7
180.07173	0.7
181.04976	100.0
182.05272	1.7
191.03497	0.7
192.04192	2.5
193.04979	19.0
207.06546	3.4
211.06064	24.5
219.06648	0.9
253.05171	0.8
253.14537	0.9
254.05833	9.0
255.06532	2.7
268.07474	1.7
269.08221	24.0
270.08942	7.0
281.08133	1.6
283.09735	2.6
284.10516	5.7
285.11292	4.4
297.07532	0.9
298.08368	3.7
306.07639	3.7
307.07913	2.0
310.08484	2.2
313.10843	10.6
328.09488	4.7
343.11868	60.5
344.12256	1.9
355.11984	0.9
373.12946	66.6
374.13412	3.2
392.00095	0.9
412.57373	0.8
415.19778	1.9
415.34760	0.7
475.21646	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1973
Annotation	Gomisin G
Peak:m/z	Relative Intensity
53.39650	0.9
59.01246	1.0
61.98683	1.6
69.78024	1.1
71.51589	0.8
78.91821	0.8
79.31068	0.7
88.19780	0.8
89.55856	0.9
109.02805	1.7
111.54374	0.9
121.06449	1.4
123.08017	5.8
167.06960	1.5
205.05002	1.1
237.05695	1.2
240.66443	1.0
241.05064	1.1
251.07196	1.3
253.21840	1.4
254.05812	1.5
257.50192	1.1
265.05042	3.1
278.06009	1.2
279.06622	2.9
280.07327	2.4
281.04544	1.6
297.11401	2.3
299.12869	2.0
301.05386	1.2
302.05951	1.1
307.09811	1.8
308.10461	5.6
311.12930	1.8
316.07285	1.0
321.11292	1.2
322.12024	2.7
323.12811	5.9
324.10104	1.9
325.10788	3.1
330.05392	2.9
331.06091	1.4
338.11523	1.1
344.10434	1.7
345.11029	2.0
359.12921	1.3
363.12204	1.3
372.09650	1.3
373.10876	9.4
374.11484	2.6
387.12491	2.8
388.13306	1.0
400.09415	4.8
415.12070	1.7
417.17050	2.0
430.17889	2.4
443.14981	15.7
455.96747	1.0
458.17230	9.9
463.20770	4.6
473.19751	5.5
474.16998	3.8
478.02386	1.0
489.18704	1.0
491.20892	2.7
498.47360	1.1
502.83698	1.1
535.19757	100.0
536.19885	6.6
554.98480	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	17.8
60.25194	1.0
61.98684	2.2
71.01238	3.3
73.02806	3.9
78.00703	1.1
83.06033	0.9
84.94962	2.6
85.02794	2.5
96.95869	2.3
101.02319	4.0
108.02007	7.8
109.02843	2.1
113.02300	2.0
115.03874	1.6
121.02826	4.4
122.03590	1.8
123.04379	5.8
128.03310	1.4
133.04962	3.4
135.04408	4.5
136.01538	47.8
136.05139	1.5
137.02318	5.2
145.02837	2.8
146.03629	1.5
147.04395	2.5
149.02316	2.9
150.03108	5.1
151.03897	52.8
158.03656	1.1
159.04433	2.5
160.05196	1.8
161.05951	4.7
162.03160	2.5
163.03920	2.8
165.12701	1.2
171.04567	1.2
172.05223	2.3
173.05977	2.8
174.03217	1.6
175.03928	4.8
177.05473	6.0
187.03937	1.3
188.04596	1.4
189.05463	5.2
190.06294	5.2
191.07024	2.9
193.04999	4.0
193.15862	2.0
194.05777	1.0
201.05322	1.5
203.06987	2.3
205.04913	1.4
205.08659	1.7
224.04744	1.4
225.05482	1.8
237.05556	1.6
237.15083	1.2
238.06369	2.1
240.04158	1.3
241.04987	2.3
253.05052	4.9
253.09068	1.7
255.16158	1.4
263.07074	1.6
263.16553	4.3
265.05191	2.4
266.05792	2.5
269.04678	6.3
277.05325	1.4
278.06027	1.5
279.06622	2.8
280.07468	3.9
281.04581	16.1
281.08212	4.4
282.05322	1.7
284.06903	5.4
291.06641	2.5
293.08255	3.1
295.06421	1.5
295.09814	3.2
296.06912	13.8
296.10129	1.9
297.07553	1.5
299.09259	6.9
307.06146	1.2
307.09805	1.2
309.07599	2.1
311.09250	15.1
321.07516	2.6
323.09210	2.2
324.10114	3.4
336.09952	3.1
338.11401	1.9
339.12466	5.9
349.10614	1.6
355.11856	3.8
356.12665	2.1
369.13489	1.3
384.12262	1.8
395.09174	1.3
399.14627	14.1
399.19757	2.4
411.14636	2.0
415.11685	1.3
427.11905	4.3
430.14450	2.0
439.11823	1.7
440.11548	1.4
442.14349	2.5
445.17136	1.6
457.12396	1.8
460.15540	1.5
469.16827	1.5
471.14322	2.0
472.15271	4.5
475.17978	22.9
485.16101	1.3
487.13596	7.6
487.17670	15.0
490.15955	2.9
499.17792	1.8
502.16495	12.6
505.18704	58.7
506.18857	2.9
517.18689	100.0
518.18658	5.6
535.23199	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	535.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53516	0.1
56.93509	0.2
57.50872	0.2
57.64746	0.1
58.00463	0.3
59.01242	23.1
59.02398	0.4
60.99157	1.1
61.26531	0.2
62.60363	0.2
69.03301	0.5
71.01241	7.3
72.99165	0.7
73.01024	0.3
73.02807	7.3
75.00726	0.8
81.03296	0.4
83.01232	0.8
84.86952	0.2
85.02807	3.3
87.00728	1.7
87.04373	0.5
88.98659	8.5
89.02297	8.2
96.31095	0.2
96.95868	0.6
97.02798	1.3
99.00751	0.5
99.04382	0.3
101.02299	11.6
101.04890	0.2
103.03867	6.9
109.02863	0.2
113.02321	0.4
115.03887	1.7
119.03368	3.2
125.02315	6.1
127.03890	0.4
131.03378	1.5
143.03368	2.5
145.04944	2.4
146.03609	0.4
163.06023	16.7
163.11360	0.2
164.06352	0.2
165.05443	0.5
167.10677	100.0
167.16226	1.1
167.93227	0.2
168.11037	2.0
176.12527	0.2
179.07077	0.3
181.12297	0.5
205.07108	3.7
209.11768	0.2
215.07736	0.2
247.08310	1.2
251.12846	0.2
265.09338	0.4
275.04181	0.2
289.09348	1.1
307.10361	12.6
351.22000	0.2
403.19498	0.4
443.15891	0.2
475.21832	8.8
476.22275	0.3
535.23761	0.3
548.88495	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	535.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46795	0.7
50.61792	0.6
51.86455	0.8
56.04561	0.8
57.03312	2.4
59.00013	1.7
59.01243	100.0
62.24454	0.7
69.03316	2.9
71.01241	25.6
71.01638	1.2
71.04884	8.2
73.02806	31.1
74.03137	0.9
75.00706	0.8
81.03320	3.5
83.01247	6.9
83.04884	2.7
85.02799	9.8
87.00751	1.8
88.52626	0.8
89.02297	18.8
93.03320	1.0
95.01281	1.3
96.31969	0.7
96.95871	1.9
97.02814	5.1
97.06449	7.6
99.00739	1.8
99.04378	3.2
101.02308	30.6
109.06475	2.3
111.04419	1.2
111.08009	1.4
113.02312	18.4
115.03873	40.0
119.03372	8.2
125.02358	3.0
125.09567	0.9
126.03098	1.8
131.03375	2.4
137.02322	1.0
143.03404	3.5
147.11630	1.9
149.04471	2.2
152.04329	1.6
155.10690	3.7
161.04451	9.9
165.12788	1.6
173.04509	4.2
179.05530	6.3
185.16745	0.9
191.14462	1.6
193.78630	0.9
201.11192	1.5
207.13928	1.9
209.11819	1.3
209.15428	13.4
221.13904	0.9
233.15553	1.2
235.13354	3.5
253.14455	24.6
271.15552	15.2
295.15536	4.0
313.16541	2.6
331.08304	1.5
333.15503	3.5
367.18024	1.2
397.38171	1.0
415.19763	83.8
416.20447	4.5
433.20743	16.6
475.21893	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	535.24
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74865	0.8
55.01751	1.8
57.03318	2.4
58.00447	0.7
59.01244	29.6
61.98693	1.7
71.01241	38.0
72.99171	2.3
73.02383	1.2
73.02805	13.1
74.96874	0.7
83.01251	4.9
84.88823	0.7
85.02808	17.9
87.00721	2.1
89.02306	13.7
90.24084	0.7
91.72681	1.2
95.01257	2.4
96.95851	5.6
97.02823	1.9
99.00734	5.8
101.02306	42.0
107.01260	1.0
109.02821	3.1
113.02304	18.7
119.03361	6.5
121.02793	1.1
125.02318	2.5
125.09593	1.7
129.01880	1.0
129.41171	0.8
131.03412	1.4
133.02817	1.1
134.19409	0.8
135.00780	1.6
135.04376	1.9
143.03384	2.0
147.04404	2.5
152.01091	0.9
153.01828	1.3
159.02892	2.9
159.04388	1.2
161.04456	19.2
163.00266	13.6
163.03819	0.8
164.85590	0.9
165.05452	8.5
167.03371	1.0
179.05550	8.4
187.09673	3.6
221.06616	2.6
230.10422	0.9
245.00964	1.2
254.02249	1.7
267.06644	1.3
269.08215	1.3
283.02567	1.4
313.07205	2.2
313.16589	22.3
381.02591	6.1
382.02899	0.9
391.19495	1.1
446.20276	1.0
461.16333	1.2
475.21881	100.0
476.22025	4.3
535.31488	1.0
554.97559	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26502	0.6
52.24718	0.6
52.69309	0.6
55.01724	0.9
57.03326	0.7
59.01241	24.3
59.85209	0.7
60.81807	0.6
61.98682	1.7
71.01239	9.1
73.02798	5.9
74.94183	0.7
75.00720	2.3
78.95738	1.0
83.01227	2.8
85.02786	5.0
87.00735	2.6
87.34856	0.6
89.02254	1.1
91.72691	1.5
96.95862	2.8
99.00735	2.3
101.02306	5.7
112.77744	0.7
112.89097	0.7
113.02302	2.8
116.92726	10.6
116.97127	3.6
117.01791	5.6
119.57830	0.6
124.01513	0.7
125.02344	1.7
128.03378	2.4
138.21532	0.9
180.09161	0.8
204.68718	0.7
269.21271	1.7
278.45627	0.7
285.20883	1.1
287.22284	28.2
305.29794	0.8
329.23251	1.2
382.41180	0.9
389.14941	1.6
392.94476	0.8
431.26447	14.6
449.27573	36.4
450.28024	1.6
491.28632	100.0
492.29068	3.6
535.31122	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	8.8
56.08978	3.3
65.98112	4.2
70.03127	3.9
78.95739	4.8
87.08582	3.8
88.50256	4.1
122.56366	3.9
132.60132	4.6
133.18108	4.0
160.54640	3.9
246.95374	3.8
253.08684	14.7
263.07266	4.9
268.11160	7.6
291.06631	33.3
292.07410	19.5
334.11972	7.1
366.11063	12.6
376.13254	11.7
419.18661	100.0
420.19107	5.7
444.87192	5.1
503.20566	11.2
535.23737	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.083
Annotation	Amentoflavone
Peak:m/z	Relative Intensity
57.86779	0.2
59.01246	0.3
59.78111	0.2
61.98711	0.6
63.02268	2.2
64.41019	0.3
65.00190	1.6
73.36648	0.3
75.28923	0.3
80.46333	0.3
83.01256	0.4
91.73340	0.3
93.03307	2.4
96.95882	0.4
101.65981	0.3
107.01248	2.7
111.30086	0.9
111.30885	0.6
117.03327	11.4
120.67494	0.3
135.04388	0.5
145.24365	0.3
149.02347	0.6
151.00272	3.7
155.04901	0.5
158.03650	0.5
159.04407	5.7
161.02379	1.0
179.04948	1.0
195.04549	0.5
197.02231	0.3
197.05986	0.4
197.52028	0.4
203.03490	1.7
212.64819	0.3
217.06593	0.5
219.04384	0.4
220.05290	0.4
221.06015	1.7
223.04004	2.6
233.06097	0.6
245.06003	0.5
247.04097	0.4
259.07791	0.5
261.05716	0.4
263.07251	0.6
265.05093	0.5
275.07117	0.4
277.05051	0.5
287.07172	0.9
289.05014	0.6
301.04932	0.4
303.06702	0.6
305.04596	4.9
307.06116	8.6
309.04044	1.8
316.58206	0.3
319.06174	0.7
329.04474	1.1
330.05621	0.5
331.06137	26.8
333.04065	5.4
338.98111	0.3
343.06256	1.1
347.05551	1.0
355.06201	0.9
357.04282	2.4
373.07089	0.9
375.05115	73.5
376.05594	0.9
399.05112	12.1
401.03006	3.3
417.01947	0.5
417.06180	18.6
443.04156	5.8
537.08301	100.0
538.08789	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.6
58.00467	0.4
59.01243	12.0
66.74292	0.3
70.83463	0.3
71.00872	0.5
71.01242	6.2
72.93338	0.3
72.99159	2.1
73.02808	4.0
78.95748	1.1
79.52528	0.3
79.95598	1.9
80.48304	0.3
80.54143	0.3
81.03371	0.3
83.01235	1.4
85.02805	3.0
87.00720	0.7
89.02296	5.1
95.01250	0.3
96.93633	1.1
96.95870	100.0
96.98480	1.3
97.02811	0.5
99.00754	0.8
99.20268	0.3
101.02306	8.6
103.03868	2.5
107.04836	0.3
108.02061	0.4
109.02834	0.8
113.02302	2.7
115.03891	0.7
119.03353	1.1
119.04832	0.4
121.02912	0.4
123.04382	0.6
125.02319	3.2
131.03360	0.9
135.04414	0.8
137.02390	0.4
137.06015	0.7
143.03391	1.6
145.04993	0.7
161.04424	1.3
163.00304	0.4
163.06017	9.5
165.01854	0.4
165.05499	1.9
167.03389	1.1
169.12296	0.3
173.04471	0.4
177.01855	0.4
181.05006	2.4
193.08624	2.4
205.07074	3.0
265.09320	2.0
271.10019	0.4
272.03564	0.4
300.02728	1.9
305.06454	0.5
307.10324	0.5
315.05167	1.2
321.38550	0.6
325.11462	1.1
331.17642	2.7
375.14410	0.4
383.13492	0.9
396.70508	0.4
439.12775	0.5
458.82117	0.4
476.23035	0.4
477.23441	18.1
537.12695	0.9
537.32800	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.4
72.99166	0.5
73.02785	0.2
75.55216	0.1
78.95780	1.0
79.08614	0.1
79.95593	1.6
85.02834	0.1
86.30154	0.1
89.39722	0.1
96.93488	1.4
96.95871	100.0
96.98614	1.1
97.02803	0.2
101.02281	0.2
113.02319	0.6
125.02309	1.2
141.01877	0.2
249.71280	0.2
273.26727	0.1
383.13516	2.1
411.12637	0.2
439.12509	1.0
493.23172	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	537.092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39077	0.1
55.55710	0.1
59.01250	0.3
71.01228	0.3
73.02789	0.2
78.95761	0.9
79.95588	1.7
85.02818	0.3
96.93402	1.4
96.95869	100.0
97.85616	0.2
100.04301	0.1
101.02299	0.4
113.02284	0.3
134.03638	0.5
134.05736	0.2
149.06000	0.4
153.16591	0.1
161.04431	0.2
165.05510	0.2
166.06229	0.1
173.04570	0.1
177.09227	0.1
193.04982	0.6
329.12991	0.2
375.14563	0.2
383.13553	0.2
439.12439	0.4
465.64883	0.1
476.96344	0.2
477.23413	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37798	1.6
57.03297	2.5
59.00125	2.3
59.01242	100.0
69.03300	4.3
71.01238	73.0
71.42373	1.7
72.99161	5.0
73.02800	10.0
81.03316	3.4
83.01236	7.5
85.02805	23.2
87.00732	7.7
89.02296	89.2
95.01246	6.3
96.95869	3.1
97.02804	10.1
99.00723	5.6
101.02302	53.5
109.02795	4.4
111.00760	3.2
113.02303	32.8
115.79376	1.7
119.03370	48.0
123.00751	22.1
123.04402	2.3
125.02312	45.4
131.03355	8.3
133.47775	1.7
137.02307	3.7
138.03111	23.2
139.03932	13.8
143.03391	13.6
149.04388	3.4
151.03868	2.4
153.05499	4.7
159.60872	1.9
161.04453	18.3
165.01820	11.2
167.03371	3.9
177.01889	3.5
179.05537	33.9
191.05551	22.4
193.62419	2.0
221.06589	24.2
245.06583	3.2
246.07553	2.1
263.07751	10.1
301.09299	6.7
305.06750	2.6
309.59293	2.0
323.09854	79.6
477.15695	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	537.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93742	0.6
57.03326	4.2
58.00463	2.0
59.00124	1.8
59.01245	100.0
59.02535	1.7
61.24576	0.5
62.59101	0.5
71.01242	53.7
72.99167	3.5
73.02806	10.8
75.00723	0.9
83.01235	5.8
85.02808	38.9
85.99973	0.6
87.00739	4.3
87.04359	0.7
87.84234	0.5
88.37014	0.5
88.98679	0.8
89.00197	1.1
89.02301	79.6
89.04636	0.9
93.03314	1.1
95.01239	2.4
96.95875	2.7
97.02821	1.2
99.00746	2.2
101.02308	45.4
103.03867	5.9
107.93633	0.5
109.02811	1.2
110.53380	0.6
113.02313	23.4
115.00224	0.8
115.03854	2.9
119.03374	30.7
121.02160	0.6
121.02843	7.2
122.03619	2.9
125.02348	4.1
127.03885	0.6
129.01804	2.7
131.03374	5.1
137.02333	1.3
140.38408	0.7
143.03395	10.2
145.04913	2.5
146.03612	2.1
147.02879	4.7
149.02341	0.8
149.04436	3.2
150.03122	4.9
151.03854	0.7
159.02893	0.9
161.04469	10.4
161.05821	1.3
163.06026	32.1
164.04642	1.1
165.04204	1.0
165.05486	12.9
167.03401	1.4
173.04402	0.7
175.03914	1.1
176.04643	2.5
177.01860	1.1
179.05548	34.6
179.07028	3.1
180.04201	11.9
185.03624	0.6
191.00462	0.7
191.01915	7.2
191.05489	0.7
191.07057	4.7
193.05002	1.2
195.06567	22.5
198.32079	0.5
200.69162	0.6
204.99811	2.2
205.07124	10.8
209.04451	2.5
229.01183	0.6
265.09335	4.9
285.64972	0.7
299.14719	0.9
327.12189	2.3
331.17691	3.9
375.14188	2.5
477.23499	26.3
537.12299	1.7
537.25195	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	2.4
71.01217	2.2
74.37325	0.9
80.11189	0.9
101.86229	0.8
108.01997	1.3
109.02808	1.3
121.02818	6.5
122.03591	16.9
133.75418	1.0
135.04378	1.3
136.01555	1.2
137.02309	3.3
142.02788	0.9
145.17250	0.9
146.03615	49.5
147.04373	2.8
150.03084	2.6
160.45189	1.0
161.05962	16.4
163.03908	1.2
164.04684	36.9
165.05394	5.1
175.03915	8.3
176.04700	20.1
176.06116	1.7
179.00008	1.0
179.07047	100.0
180.04196	23.7
180.07449	1.3
190.06271	3.0
191.05298	1.8
191.07062	33.2
195.06552	51.1
207.06592	3.6
253.31628	1.1
323.75162	1.2
327.12457	7.6
345.13495	14.4
360.11908	1.2
375.14490	63.7
376.14938	2.3
380.18445	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	1.3
60.66983	0.4
62.63028	0.8
62.63303	0.5
64.32840	0.3
66.65340	0.4
68.85340	0.4
69.18651	0.4
71.01227	1.2
72.25504	0.4
73.02790	0.7
73.67233	0.4
75.96428	0.4
82.74232	0.4
92.64329	0.4
93.03310	1.5
101.02294	0.9
102.60764	0.4
108.02032	1.4
109.02795	1.5
111.04369	0.5
113.02321	0.5
115.00253	0.5
121.02818	5.5
122.03603	33.0
123.04358	1.0
124.01542	1.2
125.02290	1.2
130.19186	0.5
134.03609	0.9
135.04404	1.8
136.01489	2.2
137.02332	3.4
137.05972	0.8
145.02806	1.9
146.03619	41.7
147.04434	3.0
148.05199	0.6
149.02292	0.6
149.05965	1.0
150.03102	2.4
151.03891	2.0
154.02596	2.6
154.64586	0.4
158.03633	0.5
161.02321	1.1
161.05966	14.4
161.07324	0.7
162.03091	1.4
163.03922	1.6
163.99268	0.6
164.04689	30.2
165.05457	2.8
167.03328	0.8
173.04474	6.2
175.03928	6.5
175.12999	0.4
176.04697	15.7
177.05376	0.6
179.00890	0.9
179.03737	2.8
179.07045	100.0
180.04185	12.1
180.07394	1.9
181.04735	0.5
190.06274	2.1
191.07060	27.2
192.04179	4.0
194.05725	1.1
195.06557	44.5
196.07014	0.7
207.06564	9.1
279.06558	0.6
312.10049	1.0
327.08835	0.9
327.12396	7.5
345.13474	12.3
356.15649	0.5
357.12091	2.3
360.12048	3.3
375.14508	77.7
376.14832	2.2
477.23297	0.5
537.16156	3.5
538.16632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54125	0.1
56.35417	0.1
56.66281	0.1
58.00459	7.1
58.32427	0.1
58.77798	0.1
59.01022	0.1
59.01244	1.4
59.35143	0.1
59.59048	0.1
63.83567	0.1
65.00909	0.1
67.20509	0.2
69.20300	0.2
71.01239	0.5
72.99168	0.9
84.99172	0.2
87.00755	0.7
88.98651	1.3
89.02289	0.3
93.03313	6.8
96.95860	1.3
103.00245	0.8
106.04108	0.5
107.04884	6.3
108.01996	0.3
109.02828	0.4
112.98676	1.3
119.04891	4.7
121.02811	0.6
121.06448	0.2
130.04118	0.3
131.04919	1.2
133.02859	0.4
135.04396	2.9
137.05972	0.9
145.02907	0.2
147.04401	4.8
149.05969	5.0
149.80637	0.2
162.11000	0.2
163.03917	1.4
165.05466	100.0
165.11244	1.0
166.05829	1.3
166.87180	0.2
175.03946	1.1
179.03372	0.4
193.04977	9.4
209.04495	4.2
219.02951	0.7
220.46960	0.2
234.68617	0.2
237.04008	4.8
255.05013	0.2
299.15070	0.4
303.48434	0.2
337.56665	0.2
471.21674	0.2
537.19757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17867	0.6
58.00460	6.3
59.01244	4.8
61.96268	0.7
71.01231	1.3
72.99175	4.0
75.00738	3.1
88.30492	0.6
88.98663	1.8
89.02300	1.8
89.64374	0.6
91.00233	1.0
93.03315	7.7
96.95868	30.4
98.95439	0.9
100.08375	0.6
101.02306	1.5
103.00238	1.2
107.04884	5.7
107.67290	0.7
109.02782	1.4
112.98674	1.2
113.02283	1.5
119.04874	5.1
121.02794	1.3
130.00594	0.6
131.04883	1.1
134.03593	0.9
135.04378	4.5
137.05960	1.1
139.17049	0.8
147.04366	4.7
149.05940	6.6
163.00185	1.4
163.03885	1.9
165.05472	100.0
166.05812	1.8
167.03423	0.9
175.03915	1.5
177.05414	0.8
193.04977	10.8
194.05389	1.2
199.04039	0.7
209.04459	5.4
213.89903	3.7
219.02835	0.9
228.38940	0.7
228.92194	2.0
237.03926	4.8
251.26102	0.7
299.14941	0.8
337.07401	1.1
345.13940	0.7
477.23282	2.1
507.16299	1.2
537.18860	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65601	0.5
58.00465	5.8
59.01243	7.1
60.71778	0.5
60.98857	0.6
60.99164	10.9
61.98664	0.5
67.79718	0.4
71.01235	2.0
72.99174	3.1
73.02815	0.6
75.00730	23.6
85.02809	1.2
87.00730	3.1
88.00258	2.6
88.98658	89.5
89.02296	20.5
89.02846	1.1
93.03313	7.3
95.95101	0.8
96.95876	6.1
98.14173	0.6
99.00703	0.6
101.02305	1.9
103.00270	1.2
107.04890	6.2
108.02057	0.9
109.02825	1.8
112.98632	1.8
113.02319	1.1
114.93263	1.3
119.04903	4.3
121.02773	1.2
123.04362	0.7
125.02317	0.7
131.04893	1.2
134.03531	0.7
135.04384	3.7
137.02293	0.6
137.05923	1.1
147.04411	5.3
149.02318	0.6
149.05986	5.1
161.04520	0.7
163.03903	2.4
165.05469	100.0
166.05833	1.1
175.03810	1.2
177.05588	0.7
178.02606	0.9
179.03357	0.9
193.04988	9.2
195.06584	0.6
203.03552	0.7
209.04512	6.0
219.02977	0.9
220.34195	0.5
227.89624	1.1
236.67966	0.6
237.04004	5.0
241.00217	1.6
259.02441	1.8
276.16061	0.5
315.18225	0.8
324.06473	0.7
336.25171	0.6
339.08710	1.0
364.85446	0.6
388.85107	0.6
447.22195	2.1
475.10327	0.6
477.23395	2.4
537.02356	0.7
537.18408	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	537.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80262	0.1
61.98683	0.4
70.80928	0.1
71.01230	0.5
72.56966	0.1
73.02805	1.5
74.84037	0.2
76.19919	0.2
83.01283	0.2
85.02820	0.4
91.87834	0.2
95.75382	0.2
96.95830	0.2
101.02325	0.4
108.02042	2.6
109.02811	3.7
113.02317	0.2
117.72601	0.1
121.02784	0.2
122.03603	0.2
123.04379	0.9
124.01540	0.3
125.02312	0.2
131.19217	0.2
141.53638	0.1
147.04405	0.2
158.03699	0.2
159.04422	0.7
161.02397	0.2
161.04448	0.2
163.03888	0.2
167.03419	0.2
171.04451	0.5
172.05231	0.2
173.05988	0.5
175.03923	1.9
176.04713	0.4
179.06993	0.3
185.06006	0.4
185.69463	0.2
187.03877	1.1
188.04729	2.0
189.05496	6.6
191.07040	0.2
193.04951	0.2
195.04420	0.3
199.04001	0.4
201.05501	1.1
203.07077	5.8
205.04976	0.2
206.05843	0.3
207.06534	0.5
212.04752	0.3
213.05545	1.2
214.06302	0.5
217.04961	0.2
219.06552	0.2
221.08084	0.3
224.04675	0.4
225.05542	1.2
227.03516	0.3
239.07170	0.3
240.04308	1.1
240.42033	0.2
241.05029	9.0
242.05807	2.8
243.06532	1.2
250.06363	0.2
251.07132	0.5
253.05037	0.3
254.05797	0.3
255.06613	3.1
256.04678	0.3
256.07416	8.4
257.08197	9.1
258.08774	0.6
265.08856	0.2
266.05908	0.5
267.06699	0.9
268.07388	0.7
269.08273	0.9
271.09790	1.9
278.05746	0.3
279.06729	1.4
281.08121	0.5
282.09048	0.3
283.09683	1.3
285.07870	0.3
293.08331	0.7
294.08939	2.5
295.09604	0.3
296.06781	0.9
297.07663	4.2
298.08212	0.3
299.09344	0.3
301.11053	0.3
309.11276	1.2
310.08411	0.6
311.09283	4.4
312.06427	0.2
312.10001	3.8
312.13409	0.3
313.10620	0.5
315.08810	1.6
325.10568	0.4
327.08649	0.4
327.12354	3.7
328.12830	0.2
329.10214	0.8
330.11105	0.5
339.12308	0.2
342.11075	1.2
343.11533	0.2
345.09790	5.4
357.13293	1.1
359.11417	0.9
360.12183	18.1
361.12549	0.6
375.14505	100.0
376.14838	3.9
537.20081	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64687	0.3
59.01237	0.6
63.61151	0.4
66.18839	0.4
71.01232	1.1
73.02813	1.9
83.01254	0.4
85.02823	0.6
89.02292	0.4
91.87785	0.4
91.88310	0.3
96.95866	0.6
99.00732	0.3
101.02335	0.7
108.02016	1.6
109.02814	5.2
109.61296	0.3
121.02792	0.5
123.00748	0.4
123.04393	1.2
124.01551	1.2
125.02287	1.7
135.04402	0.4
137.02341	1.6
139.03867	0.6
147.04309	0.4
159.04416	0.7
160.79465	0.3
161.02312	0.5
164.01144	0.3
165.01791	0.6
167.03378	0.9
171.04448	1.1
173.05923	0.6
175.03905	2.3
177.01866	0.6
179.03441	0.6
185.05931	0.5
187.03918	0.9
188.04707	1.5
189.05472	5.7
201.05553	0.4
203.07108	3.4
204.99861	0.7
207.06357	0.4
212.04973	0.3
213.05553	1.2
217.05025	0.4
219.06639	0.5
222.06354	0.4
222.18495	0.4
224.04803	0.6
225.05472	0.9
235.06096	0.5
240.04285	1.6
241.05035	8.3
242.05821	3.0
243.06641	1.6
255.06622	3.3
256.07425	6.4
257.08188	8.3
258.08929	0.6
267.06595	0.7
268.07428	0.4
269.08185	0.7
271.06326	0.4
271.09805	2.0
278.06180	0.4
279.06668	2.0
281.08218	0.8
283.09775	1.0
285.07581	0.6
293.08179	1.1
294.09052	3.3
295.09695	0.4
296.06775	0.4
297.07755	3.0
299.09317	0.5
301.07300	0.6
305.06726	1.3
309.07980	0.5
309.11404	1.2
310.08344	0.7
311.09271	2.8
312.10062	3.2
315.08728	2.4
317.10178	0.5
327.08826	0.6
327.12320	4.2
329.10330	1.2
330.11060	0.6
339.12476	0.4
342.11075	1.0
345.09805	4.1
357.13235	0.9
359.11258	1.2
360.12183	12.7
361.12115	0.4
375.14499	100.0
376.14828	3.6
501.13699	0.8
537.20087	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.6
70.37125	0.9
71.01241	1.5
72.36292	0.5
75.00755	0.6
77.89319	0.8
79.94287	0.7
83.18011	0.7
89.02283	0.7
93.03306	0.6
96.95865	2.4
108.02022	0.6
109.02808	20.9
113.02309	0.7
119.04915	0.5
121.02822	1.7
122.03643	0.5
123.00732	0.9
123.04462	0.9
128.03380	0.8
135.04427	0.6
136.01538	12.3
137.02377	1.0
140.28001	0.5
145.02831	1.6
146.03607	2.0
147.04407	1.1
149.02380	0.7
150.03122	0.9
151.03889	12.6
153.29585	0.5
158.03683	0.7
159.04402	1.2
160.05159	1.5
161.05898	2.3
171.04367	0.6
172.05231	2.1
173.04532	0.9
175.03900	4.8
175.07552	0.6
176.04706	3.6
188.92525	0.6
189.05441	3.5
190.06255	4.1
191.07047	5.4
195.06543	1.8
211.07416	0.6
221.62794	0.5
223.07652	1.0
237.05583	0.7
239.07039	3.8
249.05582	1.0
250.06407	1.3
251.07117	2.4
261.05573	1.5
262.06274	0.7
263.07080	0.6
266.05930	1.1
267.06616	47.6
268.06967	1.3
278.06030	0.9
279.06616	6.9
282.08957	42.2
283.09390	0.9
293.08145	1.6
294.09003	6.0
297.11295	100.0
298.11542	2.6
306.07974	0.8
309.11371	1.4
312.10056	10.2
315.12164	0.7
323.87848	0.6
327.12375	53.6
328.12619	1.5
345.13440	47.7
346.13535	1.1
357.13483	7.5
375.14484	45.9
376.14917	1.1
405.96298	0.6
537.20477	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34385	0.2
58.00459	6.1
59.01242	3.0
60.99160	1.0
61.98679	0.3
64.05676	0.3
71.01234	0.9
72.99167	0.7
73.90483	0.3
75.00738	0.4
76.40751	0.3
82.01125	0.3
82.95261	0.8
85.02821	0.5
87.00732	0.9
88.98656	7.7
89.02306	1.4
93.03316	6.9
96.95869	21.8
96.98314	0.3
103.00230	1.0
106.04156	0.3
107.04884	6.2
108.02059	0.5
109.02805	1.7
112.98667	1.5
113.02299	0.4
117.03339	0.4
119.04891	5.1
121.02827	0.7
123.04394	0.4
128.03419	1.0
131.04893	1.0
133.02808	0.8
134.03584	0.4
135.04399	3.2
137.02303	0.4
137.05936	0.9
146.03622	0.3
147.04401	4.5
147.38724	0.3
149.05966	4.2
151.03799	0.4
153.01802	1.2
163.03883	2.0
164.99287	0.7
165.05470	100.0
165.10913	1.2
166.05809	1.0
175.03918	1.1
179.03407	1.6
179.06926	0.4
180.04150	0.3
189.42871	0.3
193.04991	8.3
209.04485	4.1
219.02933	0.7
231.02939	0.4
237.03981	4.4
241.08791	0.6
246.72583	0.3
259.02484	1.0
285.03848	0.4
315.19452	0.6
369.17139	0.6
422.79095	0.4
477.23801	0.4
537.03156	0.6
537.19910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.8
63.80899	1.2
67.67879	1.2
68.99686	1.3
83.04894	2.8
95.04881	2.0
96.95854	4.2
97.06441	2.6
99.08007	1.6
101.05956	2.1
105.06971	1.8
107.04929	2.3
109.02878	2.1
121.06466	5.1
122.03609	1.9
123.04392	3.0
123.08030	100.0
133.06444	4.9
137.05994	3.8
139.07463	2.8
139.64256	1.7
147.04405	2.7
147.08034	2.2
149.05922	3.3
151.11209	2.8
159.04419	5.5
160.05153	2.7
165.09070	5.8
167.07045	56.9
172.05247	4.6
173.05960	2.8
174.06816	2.4
187.11206	6.7
189.12738	3.0
202.09956	4.0
205.12320	5.6
207.10199	2.5
215.10745	16.6
217.12288	35.7
225.05493	3.6
226.06311	3.1
229.12311	4.9
231.10201	6.2
233.09653	3.1
233.11807	31.6
239.07230	3.9
240.07935	2.7
243.13713	1.6
245.11855	2.0
247.09869	2.2
254.09467	1.8
255.10094	1.6
257.15262	1.7
259.09723	5.4
260.10522	2.5
261.11365	3.4
268.10992	3.2
269.15488	2.1
273.11374	2.2
281.12216	1.8
281.15506	5.1
281.24777	3.6
282.25244	3.6
283.13467	6.3
285.11273	2.6
295.13406	4.6
296.26028	1.7
297.14899	2.6
299.28821	1.9
307.13257	2.0
308.56674	1.9
325.14496	10.8
373.14462	3.0
390.15332	1.9
391.15576	4.3
405.24249	2.1
416.19730	3.8
431.22321	4.5
447.21918	5.0
449.23315	21.0
460.18964	2.5
465.22647	2.5
475.21362	24.7
493.22571	6.3
537.21613	4.4
537.31177	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.5
60.99157	1.7
61.98688	1.0
71.01221	0.6
71.68449	0.6
74.16994	0.5
74.75444	0.5
85.02794	0.6
88.98658	12.4
89.02315	3.0
93.03321	0.7
96.95871	5.0
108.02023	1.7
109.02789	1.5
119.04919	0.8
120.78138	0.8
120.78854	1.1
121.02804	3.4
122.03605	0.7
123.00773	0.6
123.04362	1.6
124.01540	0.6
128.03401	1.5
129.01801	1.1
131.04868	0.9
134.03589	0.9
135.04388	4.0
136.01526	1.1
137.02322	1.6
145.02846	1.0
146.03622	3.9
147.04417	5.4
148.05196	0.9
149.02328	1.6
149.05974	1.1
150.03094	3.2
151.03896	0.9
158.03613	5.4
159.04408	9.5
160.05190	18.4
161.05959	12.0
163.03905	4.8
163.89189	0.6
164.04652	5.7
165.05437	3.0
173.05981	4.7
174.06711	1.2
175.03978	1.0
175.07555	13.0
176.04785	1.4
176.07831	0.6
177.05510	6.6
178.06253	6.5
179.03371	0.8
179.07060	2.3
192.07861	4.8
196.03636	0.6
197.06096	0.5
209.06081	1.2
210.06842	1.1
211.07617	1.6
217.38220	0.6
221.06064	1.6
225.05499	2.7
225.09056	0.8
226.06401	2.2
237.05507	2.9
238.06317	7.3
239.07050	4.4
240.04256	0.8
249.05609	1.5
250.06329	1.5
251.07120	1.2
252.04327	0.8
253.04900	3.1
253.08781	0.7
254.05806	5.5
255.06619	4.8
259.02396	0.7
264.07895	1.2
265.04990	1.3
265.08670	2.8
266.05847	13.6
267.06641	18.9
267.09564	0.9
268.07169	1.9
269.08191	15.3
270.05734	0.7
270.09015	2.9
280.07495	0.9
281.08188	26.0
282.08932	7.0
283.09598	2.1
284.10464	1.8
293.08228	1.1
295.09741	1.2
296.07132	1.2
296.10535	2.0
297.11014	0.7
302.07968	1.8
307.09665	1.0
309.04306	0.8
314.08047	4.0
316.09564	2.6
323.09219	0.7
328.09436	1.1
371.14905	2.8
401.15161	0.6
417.13406	0.8
429.13480	5.5
432.15668	2.4
443.15134	0.9
444.16040	6.3
447.18427	2.9
459.18539	7.5
462.17355	1.1
474.17206	4.5
477.19220	70.0
478.19571	3.7
489.19223	100.0
490.19604	5.7
507.20358	9.5
519.20111	4.8
537.17218	1.7
538.25146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68959	1.1
59.01241	3.5
61.98694	4.3
74.24220	1.2
78.45165	1.3
84.58430	1.2
87.00736	1.4
88.98667	4.3
93.03283	1.4
96.95865	19.8
99.07918	1.2
103.04157	1.2
108.02020	1.7
109.02808	4.5
121.02827	10.3
123.04383	2.0
128.03404	5.5
129.01775	2.3
129.03712	1.6
131.04907	1.8
134.03604	8.2
135.04434	5.5
137.02312	1.6
145.02872	3.7
146.03619	3.1
147.04425	3.6
149.05959	3.1
159.04388	3.4
161.05951	2.9
163.03897	2.3
164.04774	1.9
165.05513	4.5
171.04475	1.9
173.05943	2.9
174.06804	2.9
175.07521	1.3
178.02628	3.7
179.06995	1.7
193.04977	15.1
203.07056	2.2
217.08719	2.6
220.07292	2.0
223.09656	3.6
247.07733	1.8
249.05757	1.4
253.05032	1.9
259.02652	1.9
263.07047	2.2
267.06668	2.9
269.08734	1.6
275.07175	4.3
276.08115	2.6
277.05710	2.1
277.08582	7.8
281.08145	4.0
282.09070	2.0
287.16626	1.6
289.08633	3.1
290.09412	2.6
291.06644	1.7
292.07465	5.1
293.08224	20.3
294.09012	7.5
295.09656	2.9
296.10519	5.1
303.06851	1.8
304.07629	1.8
305.08246	22.0
305.11649	3.0
306.08969	17.7
307.09708	8.0
308.10428	14.6
309.11285	21.2
310.08502	3.3
310.11993	2.9
311.09134	2.5
319.09796	4.3
320.10568	20.9
321.11313	27.5
322.08466	2.8
322.12112	3.2
323.09201	8.9
323.12949	15.8
325.10672	4.0
326.11676	11.3
335.09253	1.7
335.12936	4.6
337.10895	5.7
338.11591	9.7
340.13181	4.1
352.13577	1.7
371.15079	3.8
383.15088	1.8
417.11725	9.7
429.12970	1.6
443.15073	1.6
444.15869	2.4
447.18445	2.1
457.16611	1.9
459.14661	6.0
462.16809	2.5
470.49792	1.5
474.16849	10.8
477.19199	97.6
478.19086	3.2
489.19254	43.7
504.17618	3.0
507.20273	6.6
519.20251	100.0
520.20801	4.7
537.02551	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08252	0.6
55.27692	0.6
55.97566	0.8
57.03309	3.0
58.00445	0.9
59.01240	66.0
59.02400	1.3
59.14778	0.7
61.98689	1.9
69.03310	2.8
71.01241	22.6
71.04881	1.8
72.99157	0.9
73.01016	0.8
73.02802	57.7
73.04383	0.8
75.00729	1.4
75.03710	0.7
81.03323	6.0
83.01234	15.8
83.04868	1.1
85.02787	5.5
87.00718	1.9
87.04370	0.8
88.98666	1.6
89.02301	7.1
93.03300	0.9
95.01244	0.8
96.95846	2.6
97.02828	1.7
97.06451	1.9
99.00742	1.4
99.04381	6.0
100.99416	0.8
101.02300	60.8
103.00224	2.2
105.01801	1.3
113.02299	10.1
115.03873	4.5
119.03348	4.3
125.02316	1.6
128.03352	0.8
131.03387	6.4
133.10121	5.6
137.92647	1.4
143.03358	5.3
149.04442	4.1
151.11192	2.4
155.03439	1.7
160.04349	0.7
161.04419	13.1
167.76697	0.8
173.04427	1.1
175.02251	0.8
179.05569	1.3
187.84438	0.8
188.60580	0.8
191.14264	0.8
192.94510	1.0
209.15486	4.1
221.06613	2.6
235.13379	3.2
253.14450	3.6
271.15533	9.0
308.07825	1.0
375.14548	0.8
415.19653	2.7
433.20749	2.7
451.21906	1.5
475.21802	2.9
493.22906	100.0
494.23206	3.3
536.31079	1.0
537.32703	1.0
560.66357	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	2.4
58.00457	1.1
59.01243	64.9
63.13458	1.3
69.03315	2.7
71.01243	25.7
72.99168	2.0
73.02807	58.8
75.00735	3.3
81.03323	5.9
83.01244	15.4
83.23632	1.3
84.75078	1.5
85.02806	5.0
87.00744	2.5
88.98647	1.4
89.02292	8.2
96.95890	4.6
97.02809	1.8
97.06490	2.0
99.04357	7.9
101.02299	62.4
103.00256	5.3
105.01821	2.2
109.45186	1.3
113.02306	10.0
115.03870	5.2
119.03389	4.0
125.02328	1.9
131.03378	5.0
133.10124	6.4
136.00296	1.5
137.92667	1.5
143.03401	5.3
149.04466	3.5
151.11145	3.7
158.61301	1.5
161.04483	14.2
161.05873	2.2
175.02412	1.5
179.05527	1.8
191.14383	1.7
203.05576	1.6
209.15459	4.8
221.06584	2.3
235.13364	4.6
253.14420	4.1
271.15460	8.2
277.37506	1.6
329.32913	1.8
415.19461	2.8
451.21738	2.1
477.23633	2.2
493.22931	100.0
505.07849	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	537.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33267	0.7
57.03330	1.5
58.00452	1.3
58.99954	1.2
59.01241	71.0
59.02401	1.5
69.03304	5.6
70.18954	0.8
71.01237	21.4
71.04886	1.2
72.99210	1.3
73.02803	75.8
73.04389	1.0
74.03175	0.9
74.32216	0.7
81.03299	7.4
83.01243	17.7
83.01708	1.3
83.04892	2.1
84.02030	0.8
85.02834	3.1
87.00739	0.9
88.40892	0.9
89.02293	7.8
97.02825	1.9
97.06493	1.8
99.00790	1.4
99.04362	7.6
100.99483	1.4
101.02299	62.5
112.19447	0.9
113.02293	7.8
113.09694	0.9
115.03861	6.3
119.03400	3.5
125.02315	1.7
131.03372	4.3
137.92685	1.1
142.04189	0.9
143.03384	4.9
147.11652	4.5
149.04424	5.3
155.03416	1.2
161.04459	18.8
165.12787	2.9
169.12267	1.5
191.14365	2.6
192.94476	1.5
203.05618	1.0
203.76346	0.8
209.15405	9.7
221.06664	2.8
235.13457	2.9
253.14441	4.1
271.15530	11.2
363.17081	1.0
415.19867	1.3
433.20944	1.9
451.21945	2.1
493.22906	100.0
494.23456	4.3
504.83051	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.3
57.03313	2.3
57.19970	0.6
59.00029	1.6
59.01242	100.0
66.74651	0.7
69.03316	2.0
70.99678	0.7
71.01237	51.8
71.03071	0.6
72.99181	1.4
73.02803	19.4
74.44695	0.7
75.00733	0.8
79.52429	0.7
80.80238	0.7
81.03325	1.1
83.01239	11.6
85.02807	27.4
87.00735	6.4
89.02303	9.2
91.73326	1.6
95.01241	3.8
97.02814	3.6
99.00739	8.3
101.02303	42.0
111.00783	1.4
113.02302	28.0
115.03893	1.5
119.03407	2.8
125.02307	8.3
128.42430	0.8
131.03433	1.3
143.03358	6.4
144.81401	1.5
159.02893	4.1
161.04443	20.0
172.42726	0.7
203.05678	1.6
221.06673	1.0
245.06717	2.2
263.53720	0.9
271.15457	0.8
289.16589	16.7
289.19604	1.0
305.08926	1.7
308.33707	0.8
323.09845	1.0
331.17599	2.2
383.62402	1.1
385.19019	1.8
400.62732	0.9
433.20825	39.8
451.21878	62.9
452.22342	1.4
493.22964	6.1
498.63977	0.8
537.33020	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	537.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57838	0.4
55.01735	1.0
57.03318	1.2
59.01243	28.7
59.02475	0.5
69.03335	0.8
71.01241	21.2
72.99172	1.3
73.02805	11.7
75.00737	1.7
83.01233	8.0
85.02805	12.3
85.06416	0.6
86.16655	0.5
87.00749	1.4
88.98651	0.8
89.02303	7.3
91.72766	1.1
93.03307	0.7
95.01268	1.7
96.95874	5.0
97.02814	1.4
97.99938	1.5
99.00747	4.8
100.30270	0.5
101.02304	26.8
103.03882	1.9
108.01983	0.6
109.02834	3.1
111.00745	2.4
111.11697	0.5
112.71404	0.5
113.02307	10.6
115.03895	0.7
119.03411	1.9
121.02848	1.9
122.03602	2.4
123.00785	0.7
123.04356	1.1
125.02311	6.5
129.01820	1.4
135.04414	2.6
137.02339	2.2
140.38380	1.2
141.01839	0.8
143.03456	1.3
145.04951	1.2
148.05220	0.6
149.05974	1.1
151.03989	0.8
151.07573	1.0
151.73639	0.6
155.09172	0.5
159.02881	3.0
161.04449	10.8
163.06009	3.6
165.05461	4.6
167.03421	1.8
169.12219	0.8
173.04524	1.0
176.04736	1.2
177.01865	2.2
179.07013	0.9
191.07098	1.0
193.04939	0.6
195.06662	1.1
204.99825	1.5
205.07242	0.7
209.08173	4.1
216.04268	0.8
229.07254	0.8
235.06151	2.4
239.05637	0.8
248.37320	0.6
253.07135	0.9
264.96057	0.7
315.08859	1.0
331.12048	2.7
331.17673	23.9
343.08441	1.0
345.13370	1.0
357.09818	2.7
375.10669	1.4
375.16266	2.4
477.23438	100.0
478.23880	3.2
492.25049	0.7
537.16174	11.5
538.16345	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.5
58.00462	1.3
59.01242	64.6
59.02447	1.3
64.94417	0.8
69.03304	1.7
70.99788	0.5
71.01240	30.1
71.02885	0.5
72.99160	1.6
73.02804	23.9
75.41367	0.5
81.03333	1.0
83.01237	7.4
85.02806	16.5
85.99949	0.7
87.00732	5.0
87.04353	2.5
89.02294	26.5
95.01234	1.6
96.95866	27.1
97.02800	3.1
99.00757	3.5
101.02302	62.3
101.05062	0.9
103.03868	16.0
103.04530	1.1
109.02795	0.8
113.02309	11.9
115.03876	6.2
119.03366	10.2
125.02310	5.4
127.03855	1.2
131.03369	7.6
134.03654	1.1
137.02396	0.5
140.38499	1.1
143.02371	0.8
143.03389	10.5
145.04936	4.8
159.02887	1.7
161.04443	10.7
163.06015	71.6
165.05460	2.7
169.12262	2.0
179.05569	1.0
193.04997	0.8
205.07117	17.1
229.35757	0.6
235.08209	2.5
247.08289	1.6
265.09299	16.3
289.09341	0.9
307.10361	3.5
321.38275	0.7
325.11429	8.3
331.17664	16.6
346.55099	0.8
477.23431	100.0
478.23511	3.2
537.25470	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.6
56.32770	0.3
57.03311	1.5
59.01242	32.5
59.02387	0.7
61.98691	0.5
69.03312	0.4
71.01240	24.4
72.99152	1.3
73.02807	10.5
73.04327	0.4
75.00737	0.5
76.05405	0.4
78.97556	0.3
83.01241	7.3
85.02802	11.1
87.00749	1.8
89.02296	10.0
91.58401	0.4
93.03323	0.6
95.01250	1.6
96.95853	1.2
97.02820	1.3
98.56211	0.5
99.00745	3.8
100.99406	0.4
101.02303	28.3
101.04875	0.4
103.03866	2.2
109.02811	2.5
113.02308	11.7
119.03366	3.5
120.36745	0.4
121.02788	0.8
123.04397	0.8
125.02303	3.2
127.03841	0.6
129.01793	0.6
131.03404	1.0
136.01535	1.6
137.02362	0.6
140.38338	0.9
143.03412	2.1
145.04973	0.4
146.45728	0.4
146.80069	0.4
151.00351	0.4
151.03896	2.4
153.01950	0.4
159.02882	2.6
161.04456	12.6
161.05777	0.7
162.71889	0.4
163.05997	1.6
165.05502	0.4
167.03424	0.5
168.32022	0.4
174.49484	0.4
175.03896	0.9
176.04718	0.7
177.01814	0.7
179.05507	0.6
179.07039	0.6
188.20541	0.8
189.05522	0.8
191.07045	1.1
204.99857	2.9
205.07085	1.1
229.07259	0.4
241.05058	0.5
242.16240	0.4
248.85036	0.4
257.08353	0.5
267.06589	4.0
279.06616	0.9
282.09003	3.3
294.09125	0.7
297.11288	8.5
312.10025	0.7
327.12350	4.4
331.17642	28.2
332.18164	0.8
345.09625	0.6
345.13388	4.3
346.55255	0.7
357.13400	1.4
360.12192	0.8
375.14438	8.5
385.15512	0.4
477.23428	100.0
477.49814	1.0
478.23767	3.2
504.24545	0.7
536.63293	0.5
537.19885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49993	14.7
59.01255	22.1
59.55684	14.4
60.08332	17.5
61.35602	14.1
61.98705	53.3
66.14080	12.6
68.61630	16.2
75.22614	14.1
78.95793	26.6
80.95229	14.6
91.73356	22.1
101.02344	34.1
153.01945	20.4
212.88347	18.3
214.58791	17.0
239.53055	19.0
248.10736	48.9
292.09601	31.4
537.20886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62539	11.1
58.84443	12.1
59.01230	13.3
61.98689	35.7
82.95255	14.5
85.46632	14.6
96.95895	28.9
105.94784	14.3
108.33497	15.0
109.69195	14.1
165.01852	20.7
191.76224	15.3
291.06857	20.1
493.22440	45.6
537.21442	100.0
537.30023	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50829	22.0
61.98709	100.0
78.95789	31.2
79.84689	34.0
82.95292	32.4
84.58803	34.5
96.95893	33.1
109.02827	29.6
123.04420	37.6
134.03641	32.9
178.02603	37.8
232.10982	59.6
261.11310	42.5
309.91946	32.2
455.94781	33.2
484.57855	38.4
519.20569	51.7
537.21185	97.0
537.29529	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	537.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	59.0
61.98701	30.0
67.89162	19.9
78.95755	34.2
81.24389	18.4
82.95287	32.3
90.97031	20.2
96.95884	44.6
119.00195	23.4
121.14375	21.4
123.04362	24.3
234.32640	24.8
236.70676	27.6
259.09631	39.4
275.09299	27.6
389.14328	28.0
475.21344	30.0
493.21994	51.1
523.29089	31.3
537.21094	100.0
537.28882	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	21.2
77.45409	8.7
80.88025	10.3
99.07997	12.3
107.87495	10.1
121.06447	20.0
123.08047	12.2
130.16377	9.7
174.22089	12.0
205.12291	99.9
217.12306	11.5
225.95905	11.5
229.08743	13.8
259.09784	30.7
260.10519	19.8
261.11304	13.9
277.10904	31.1
324.40381	13.7
333.07516	14.1
374.43518	14.3
465.22757	24.9
519.20190	18.6
537.21539	100.0
537.30121	63.2
538.21967	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	537.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29047	0.8
59.01232	2.8
61.98689	2.5
67.78194	0.9
69.92052	0.9
78.95760	1.9
85.40759	0.9
91.03814	1.2
105.03340	5.7
105.98604	0.9
116.04945	0.9
117.03326	3.2
119.04880	4.3
121.02825	1.6
132.02031	2.8
133.02837	38.1
134.03621	18.8
135.04367	8.0
137.02341	4.2
145.02831	7.1
146.03178	2.6
147.04373	1.7
149.05913	2.6
152.99498	1.4
156.07306	1.1
160.01556	18.7
161.02348	10.4
161.05930	2.0
162.03079	1.9
163.03934	2.1
164.04178	1.0
171.08214	1.1
175.03915	36.6
177.01869	3.6
178.02666	4.9
179.03404	6.2
193.01363	2.5
193.04990	13.1
199.11072	1.0
269.21133	1.4
287.22339	5.1
343.13315	1.1
361.20343	1.9
389.71793	1.2
408.70364	1.3
421.19284	1.2
431.24399	5.9
440.28027	2.7
441.28494	15.3
445.25909	7.5
449.25247	1.6
463.27069	31.2
464.27475	1.3
472.58951	1.1
485.27185	4.1
519.26184	2.8
522.28424	1.6
537.08313	3.1
537.30743	100.0
538.31030	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.3
59.59160	0.2
71.79202	0.2
93.03306	0.2
106.04128	0.4
117.03336	0.5
121.02843	0.8
132.02060	0.5
133.02849	1.3
134.03615	55.1
134.07793	0.5
137.02335	4.9
139.03897	1.7
149.05972	18.3
150.03133	0.6
160.01587	1.7
175.03908	1.1
178.02632	34.5
179.02847	0.2
193.04993	100.0
193.12390	0.9
194.05382	0.7
196.47469	0.2
236.97470	0.2
386.24945	0.3
445.25766	0.4
537.30750	19.9
538.31042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29047	0.8
59.01232	2.8
61.98689	2.5
67.78194	0.9
69.92052	0.9
78.95760	1.9
85.40759	0.9
91.03814	1.2
105.03340	5.7
105.98604	0.9
116.04945	0.9
117.03326	3.2
119.04880	4.3
121.02825	1.6
132.02031	2.8
133.02837	38.1
134.03621	18.8
135.04367	8.0
137.02341	4.2
145.02831	7.1
146.03178	2.6
147.04373	1.7
149.05913	2.6
152.99498	1.4
156.07306	1.1
160.01556	18.7
161.02348	10.4
161.05930	2.0
162.03079	1.9
163.03934	2.1
164.04178	1.0
171.08214	1.1
175.03915	36.6
177.01869	3.6
178.02666	4.9
179.03404	6.2
193.01363	2.5
193.04990	13.1
199.11072	1.0
269.21133	1.4
287.22339	5.1
343.13315	1.1
361.20343	1.9
389.71793	1.2
408.70364	1.3
421.19284	1.2
431.24399	5.9
440.28027	2.7
441.28494	15.3
445.25909	7.5
449.25247	1.6
463.27069	31.2
464.27475	1.3
472.58951	1.1
485.27185	4.1
519.26184	2.8
522.28424	1.6
537.08313	3.1
537.30743	100.0
538.31030	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94580	0.3
59.01238	0.5
59.59157	0.3
59.66827	0.2
62.27925	0.2
64.57924	0.2
72.94762	0.2
83.17757	0.2
93.03331	0.4
97.02842	0.2
98.46741	0.2
105.32899	0.2
106.04130	0.6
110.17013	0.2
111.00740	0.2
116.92737	1.1
117.01814	0.5
117.03326	0.8
119.04873	0.4
121.02820	0.8
132.02068	0.5
133.02821	1.4
133.99664	0.7
134.03612	53.3
135.03917	1.2
137.02319	5.8
139.03897	1.9
149.05971	16.9
150.03056	0.6
150.06343	0.4
160.01584	1.8
175.03923	1.5
175.53828	0.3
177.96619	0.5
178.02629	33.6
179.03012	0.4
181.24983	0.2
192.98218	1.0
193.04990	100.0
193.12724	0.7
194.05310	2.6
292.13495	0.3
295.21402	0.6
301.71777	0.2
445.26370	0.3
537.30719	16.7
538.31079	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56623	0.2
52.68922	0.1
54.89376	0.1
56.94567	0.3
59.01227	0.5
59.59154	0.3
68.21379	0.2
68.49830	0.2
70.11359	0.2
70.20406	0.2
106.04099	0.4
111.00730	0.2
117.03326	0.9
121.02810	0.6
132.02028	0.4
133.02849	1.4
133.99525	0.8
134.03612	55.3
135.03951	0.8
135.78882	0.2
137.02325	4.8
139.03877	1.3
149.01241	0.3
149.05966	17.9
150.03075	0.5
150.06361	0.3
160.01556	1.8
167.28723	0.2
175.03915	1.3
178.02626	31.8
179.02959	0.5
192.98128	1.0
193.04990	100.0
194.05269	1.6
264.64661	0.2
268.03198	0.2
328.72049	0.3
394.38437	0.2
536.98419	0.2
537.30756	16.9
538.31110	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99714	0.6
52.41421	0.6
57.03318	3.4
59.01225	1.7
66.21552	0.9
69.03306	0.7
71.01243	5.8
75.66618	0.6
81.03304	2.2
83.01225	1.9
85.05953	0.7
85.06446	11.2
87.53017	0.7
88.03894	81.9
88.06116	1.0
92.99076	0.6
93.03286	1.4
95.01228	1.6
95.04866	2.3
97.02785	2.7
102.05455	1.0
109.02811	6.4
111.04375	4.7
113.05938	3.0
121.02802	1.9
123.00713	3.7
123.04311	1.1
124.01490	2.4
125.02313	60.7
126.02587	1.6
130.08591	1.4
135.04382	1.2
137.01309	1.3
137.02319	19.0
138.03047	0.8
139.03893	13.4
143.06851	0.8
147.04362	0.7
149.02325	0.9
149.05983	1.0
151.03871	2.0
159.04385	1.0
160.08426	1.4
160.09692	18.5
161.02342	1.7
164.01064	4.4
165.00528	1.0
165.01828	12.3
165.99199	0.7
166.02431	0.9
167.03410	16.0
175.03922	2.2
177.01828	2.3
177.05431	3.3
178.02512	1.0
179.03412	13.1
191.07021	2.3
201.05586	1.4
203.03471	1.9
204.04190	2.8
215.09109	0.9
218.05922	0.7
219.06610	12.1
221.04541	4.7
231.08635	1.6
232.11874	87.9
233.10229	2.6
233.12253	1.7
237.07617	1.2
243.06696	1.1
261.07639	3.2
305.06680	100.0
306.07104	3.4
411.03796	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55071	0.6
51.87637	0.7
57.03315	19.4
59.01240	9.6
64.31064	0.8
65.43526	0.7
71.01218	3.8
72.29359	0.7
79.95564	2.7
80.96352	1.1
85.02815	0.9
87.00718	1.6
89.02275	2.8
91.72769	1.4
96.95868	53.1
99.00727	1.2
99.04375	22.3
101.02307	9.0
108.02010	1.5
109.02805	1.2
113.02290	1.5
120.02037	1.1
125.02311	6.5
138.03064	2.9
143.03366	1.1
149.02258	1.3
150.03157	2.1
150.96912	3.0
152.01093	1.8
152.98520	1.0
153.05458	30.0
161.04469	8.9
165.05467	4.2
167.03418	4.4
168.03732	1.0
177.01865	1.0
189.05473	2.0
190.05820	1.1
195.06631	1.8
196.06799	0.9
204.99846	1.7
209.60768	0.9
221.22603	0.9
222.99124	1.0
225.00768	4.8
241.00211	13.7
241.04851	1.2
256.07309	1.1
257.07977	1.7
258.08203	1.6
283.01306	4.3
298.07932	1.0
312.09763	1.4
323.04523	1.6
360.11902	1.8
361.12405	2.1
375.14398	6.5
376.14859	16.1
377.15082	9.1
395.06580	6.1
401.06387	1.3
477.10623	2.2
479.08664	1.2
539.10681	100.0
540.10828	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	539.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99084	0.9
52.98969	1.0
55.06121	0.9
57.03317	21.6
59.01244	18.6
71.01249	6.6
73.02791	2.0
79.95581	1.3
85.02814	2.2
87.00710	1.9
89.02293	1.7
93.03304	1.8
96.95870	57.4
98.95459	7.7
98.96273	2.2
99.00753	1.4
99.04379	28.0
99.98608	1.1
101.02296	12.7
103.03854	1.0
107.04924	1.3
109.02810	2.5
113.02296	3.1
119.04931	1.5
121.02821	1.7
123.00755	4.3
125.02319	6.4
135.04416	6.7
138.03111	11.0
150.96983	2.9
153.05447	6.3
161.04460	12.0
163.00308	1.3
163.06093	1.5
163.07526	1.5
165.05507	14.8
166.05783	5.3
167.05980	1.3
170.21681	1.1
171.04346	3.2
173.04552	1.2
177.01868	1.4
179.03386	5.0
179.62004	1.1
191.05476	1.4
193.05058	1.4
199.03978	3.6
207.06561	15.5
219.03178	1.1
222.99405	1.6
225.00639	6.9
227.03482	3.6
232.03928	1.3
237.03806	1.5
240.95848	1.2
241.00182	6.7
271.02478	13.6
283.01431	1.8
300.15240	1.3
315.01489	1.4
395.06638	9.8
477.10391	4.3
478.23624	2.4
479.08752	2.0
539.10767	100.0
540.11163	3.9
552.95764	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2289
Annotation	Sesquipinsapol B
Peak:m/z	Relative Intensity
50.03674	1.2
53.29395	1.2
57.03317	2.0
59.01239	2.0
61.98686	6.3
65.55590	1.3
68.41607	1.3
69.03308	2.5
78.65355	1.5
81.03313	11.7
83.04884	2.0
84.81073	1.6
86.62067	1.4
93.03306	3.6
95.04897	4.2
97.02820	6.9
99.08002	1.9
107.04884	4.0
109.02805	5.5
111.04390	3.2
112.32446	1.5
116.74146	1.5
121.02842	5.9
121.06478	2.5
123.04377	4.3
123.07988	7.6
125.02331	1.6
133.02824	2.1
133.06473	27.0
135.04401	3.3
137.02332	2.5
137.05939	10.8
139.03955	3.0
147.08104	1.6
149.05928	5.0
157.06485	3.1
159.04430	5.2
160.05222	3.8
161.06010	5.9
163.07521	3.0
164.19936	1.6
165.01898	3.1
167.07037	2.5
169.53426	1.9
173.05919	7.5
174.06776	2.4
175.03957	1.9
175.07536	10.5
177.05450	2.3
183.06619	2.9
187.03909	2.2
188.04671	3.1
189.12868	2.2
191.07074	2.1
195.06552	3.2
197.06004	2.7
197.08179	3.8
198.06766	2.0
200.04677	3.2
201.05525	7.4
202.06310	2.4
202.09940	3.6
203.07106	11.9
209.08124	2.7
211.07460	2.1
213.09184	4.5
215.07108	1.8
217.08647	2.2
217.12274	24.4
223.07770	2.1
225.05580	3.5
226.06393	2.0
231.10214	3.6
233.11823	4.2
239.07089	2.7
245.11804	52.3
247.09763	2.2
253.08704	2.0
259.09808	5.9
259.13483	3.6
260.10657	2.1
261.11340	18.3
269.11765	9.0
275.09412	5.1
282.12686	4.2
283.13535	3.4
285.11298	10.9
287.12930	4.0
295.13239	2.8
297.14865	21.2
311.12970	2.0
325.14490	2.1
331.15558	2.2
337.14514	2.5
341.14081	5.8
351.15714	2.5
353.13922	1.9
355.15311	2.5
379.15689	2.8
383.14996	20.1
409.20102	4.3
419.18665	2.9
425.19989	2.9
435.17859	2.6
437.19656	5.5
445.16470	2.1
463.17725	9.2
464.17975	2.6
477.22867	3.3
493.22296	3.1
495.23767	1.8
503.20972	6.1
511.23538	19.4
521.21790	37.3
522.22205	2.4
539.22919	100.0
540.23151	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	539.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01227	3.4
61.98697	8.1
71.86496	2.3
81.03316	13.4
83.04899	3.2
93.03315	4.0
95.04906	3.3
97.02805	7.0
109.02804	7.6
111.04391	4.1
113.09513	2.1
121.02791	8.5
123.04411	4.9
123.08029	9.2
124.01506	3.4
127.31097	2.1
133.06458	32.5
135.04305	2.6
136.05202	2.5
137.05965	30.8
139.03896	4.1
147.08066	4.0
149.06017	5.5
155.06967	2.6
159.04372	7.1
160.05232	6.0
161.05983	4.6
163.07654	3.0
173.06078	5.7
174.06775	3.8
175.03841	2.8
175.07535	20.8
177.05473	3.1
183.06511	3.4
184.58385	2.4
188.04688	4.3
189.05402	3.1
189.12843	2.6
191.07054	2.7
197.08124	3.7
199.11180	3.1
200.04715	3.7
201.05502	9.3
202.06371	3.7
202.09885	4.5
203.07057	19.6
209.06230	3.1
209.08168	5.6
213.09076	2.6
217.00198	3.5
217.12321	22.5
231.10228	10.2
233.11671	5.5
238.06424	2.9
245.11810	45.9
247.09755	3.5
259.09814	14.2
259.13382	5.6
261.11258	28.2
269.11832	7.1
275.09311	7.3
277.10980	3.9
282.12576	3.3
282.88461	2.5
283.13318	3.5
285.11240	13.1
287.12906	7.4
297.11624	4.4
297.14886	19.8
313.14493	3.2
337.14609	4.3
341.13989	6.4
353.13873	4.3
357.11368	2.6
369.41714	2.6
383.14954	41.5
425.20093	3.0
461.21933	3.0
463.17761	10.6
464.18344	4.2
493.22549	4.2
503.20819	7.1
511.23480	12.0
521.21899	39.6
539.22919	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53300	0.4
58.15262	0.5
59.01243	2.2
59.75056	0.8
61.69653	0.4
61.98690	0.6
64.58264	0.4
73.06962	0.4
78.57565	0.4
78.95745	0.7
79.01997	0.4
89.36839	0.4
89.91423	0.5
93.03292	0.5
95.04879	0.4
99.04334	0.6
99.08004	1.2
107.04868	1.2
109.02809	0.6
121.02796	1.2
121.06436	1.9
122.03609	1.0
123.04379	8.3
123.08022	4.9
125.05956	0.7
133.06468	0.8
135.04373	1.5
136.05186	0.7
139.03888	1.4
139.43407	0.5
147.02034	0.4
147.04384	3.5
148.05194	3.2
149.05957	10.1
150.03143	0.5
150.06277	0.6
152.99475	1.2
160.05154	0.5
161.05960	1.3
162.03084	1.5
163.03864	1.2
165.05455	0.5
167.07066	2.3
167.10677	0.9
169.39592	0.5
171.04478	0.5
172.05186	1.3
172.19521	0.5
173.06003	0.9
174.03137	0.6
174.06772	1.0
175.03941	1.6
177.05556	0.7
179.03404	0.6
180.04185	2.1
184.32005	0.5
187.03853	0.6
187.07541	1.0
188.04716	2.9
189.05576	2.1
189.09167	0.6
191.06972	0.7
191.10800	0.7
195.06541	2.7
202.06273	1.1
205.12311	1.1
215.10733	1.6
217.00163	0.7
217.08745	3.3
217.12248	4.7
218.05745	0.5
218.09326	0.7
219.13992	1.1
221.11682	0.5
231.10225	4.0
232.11017	16.9
233.11797	100.0
234.12221	2.5
245.11815	17.6
246.12236	0.7
259.09772	1.3
261.11295	4.0
263.12930	3.9
267.10239	0.5
270.12491	0.6
289.07037	0.6
303.23157	0.5
355.19211	7.0
365.17471	0.8
371.18649	0.5
375.15439	0.5
399.16113	0.6
426.18124	0.5
439.24783	0.5
441.20660	3.0
459.21725	2.3
477.23032	1.5
495.23611	1.1
539.22913	0.7
539.33923	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2289
Annotation	Sesquipinsapol B
Peak:m/z	Relative Intensity
53.54423	0.4
54.00551	0.4
57.17575	0.5
57.46489	0.4
59.01007	0.4
59.01240	3.9
61.98685	1.0
71.01253	1.2
73.02810	0.7
80.09028	0.4
82.07806	0.5
85.02805	0.7
89.02303	0.7
93.03310	0.9
96.95867	2.6
101.02299	1.3
108.02043	0.9
109.02813	2.0
113.02251	0.5
119.04878	3.4
121.02819	9.9
122.03622	3.0
123.04372	1.6
125.02341	0.6
128.78796	1.1
128.79704	1.0
131.03339	0.8
135.04388	2.3
136.05171	1.0
145.02812	1.6
146.03563	0.9
147.04414	6.6
148.05093	0.8
149.05872	0.7
153.09953	0.5
158.03606	0.9
159.04399	1.6
160.05173	1.0
161.05931	3.4
163.03917	2.4
164.04720	0.6
165.05470	11.8
171.04370	0.6
172.05142	0.6
173.05962	0.6
177.05470	0.8
178.06282	1.2
179.07028	3.7
193.08600	0.7
197.05928	0.6
209.06001	1.0
211.07684	0.9
211.13301	1.6
225.05486	2.0
226.06317	1.2
226.60913	0.6
227.07024	0.9
237.05591	2.2
238.06323	4.2
239.07040	2.8
240.04237	1.7
242.05713	0.7
249.05777	0.7
251.07146	1.0
253.05078	1.8
254.05815	10.2
255.06631	5.5
256.07230	0.8
257.08096	1.2
263.07346	0.6
264.07822	0.8
265.05197	1.0
266.05783	6.1
267.06644	6.2
268.07349	3.6
269.08179	7.2
270.05460	0.5
270.09000	2.3
279.06540	0.8
279.10065	0.6
280.07443	2.1
281.08221	4.7
282.08951	11.7
283.09738	3.3
286.04877	1.6
287.22211	0.6
293.08240	3.1
294.09052	4.0
295.09763	13.0
296.10529	1.7
297.07813	1.2
297.11298	1.9
298.04959	0.7
298.08380	0.8
302.07889	0.9
306.08997	0.6
307.09702	1.7
308.10464	1.7
309.07819	1.1
309.11237	5.2
310.08530	1.1
311.09271	2.0
312.09988	2.4
313.10776	4.6
314.08078	3.6
321.11279	0.8
323.09473	0.9
324.10010	0.7
325.10809	2.7
326.11502	0.7
327.12360	3.2
338.11444	0.7
339.12454	3.0
341.10284	0.8
355.11771	0.6
403.17661	2.1
419.15265	0.8
430.14417	0.8
445.16553	2.4
449.16144	13.8
450.16553	0.9
461.16037	0.9
463.17804	3.6
475.17645	3.5
479.16989	7.7
491.17026	8.0
494.19446	12.3
506.19537	8.4
507.19852	0.8
509.21805	100.0
510.22073	6.4
521.21796	81.3
522.22205	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	539.2289
Annotation	Sesquipinsapol B
Peak:m/z	Relative Intensity
57.03311	2.5
57.55224	2.4
59.01231	8.8
61.98682	4.3
62.28467	3.0
72.47825	2.5
73.02796	2.3
81.03300	7.5
85.29872	2.7
93.03322	3.1
96.95866	6.3
97.02838	5.8
107.42459	2.4
107.66602	3.1
109.02841	5.4
109.06465	3.4
120.37700	2.6
123.04311	3.3
123.08009	23.8
133.06485	27.0
135.08000	3.1
137.05945	14.3
142.33112	3.0
149.06004	3.8
153.09189	5.2
157.06544	4.3
159.04384	3.0
160.05171	5.2
161.06023	3.8
163.07574	3.6
165.09050	3.4
167.07149	4.8
173.06003	4.7
175.07558	20.0
177.05542	3.4
181.08638	5.1
188.04819	4.5
191.06865	3.4
197.05815	2.8
198.92700	2.8
201.05492	8.8
203.07103	28.2
206.99904	2.8
207.06430	3.4
213.05582	5.7
217.00226	4.5
217.08769	5.4
217.12303	6.9
225.05519	5.2
227.07140	5.3
233.11737	3.8
239.07069	3.3
240.07867	7.8
243.06610	7.6
245.08086	4.5
245.11896	12.2
249.11505	3.4
255.10266	9.6
257.04440	4.5
259.09790	5.9
261.11197	17.4
275.09167	5.6
277.10818	13.7
284.75195	3.2
293.08124	4.3
301.10962	5.9
313.14444	5.7
357.13290	4.2
383.14975	10.6
419.18704	4.0
463.17621	7.0
478.36691	3.5
503.20288	4.1
511.23697	13.2
521.21954	36.2
539.22919	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36824	0.4
55.55487	0.8
56.76998	0.6
56.85061	0.4
58.54178	0.8
58.54429	0.4
59.01233	1.7
61.98680	0.8
66.70859	0.3
71.01238	0.9
73.99155	0.4
75.17741	0.4
80.74582	0.4
93.03352	1.2
96.95881	3.1
101.13760	0.6
101.14392	0.5
108.02014	1.0
109.02821	1.1
121.02004	0.8
121.02819	10.4
122.03615	2.9
123.00742	1.4
123.04377	1.8
124.01538	0.9
134.03616	1.6
135.04468	2.8
136.05171	1.4
137.02322	1.3
137.05931	0.9
143.04890	1.3
145.02795	0.5
146.03642	0.8
147.03349	0.6
147.04396	3.7
148.05179	0.8
149.02321	1.8
149.05959	1.3
150.03123	6.6
151.03888	0.7
153.05505	0.5
158.03638	5.0
159.04407	16.3
159.99944	0.7
160.05191	44.5
161.05981	14.4
162.06723	0.5
163.03911	5.4
164.04688	5.8
165.05536	1.1
166.06252	25.5
167.07002	1.4
168.04207	0.5
173.05986	7.1
174.06821	2.1
175.07555	38.5
176.04730	1.4
176.07930	0.4
177.05466	9.9
178.02711	0.8
178.06259	18.9
179.06973	1.7
181.08621	10.8
181.81538	0.4
189.05431	0.5
191.07039	0.7
192.07848	5.1
193.04974	2.3
193.08617	4.4
194.05344	1.5
195.05577	0.9
206.05710	0.6
217.00247	0.5
221.08122	3.6
245.11774	0.7
253.09485	0.4
267.06726	0.5
269.08237	0.8
281.08121	1.0
282.08746	0.5
283.09671	0.8
284.10556	1.9
285.11511	0.6
296.10602	1.3
297.07709	1.3
299.12839	5.6
309.07718	1.1
309.11206	0.5
311.12869	1.5
312.09979	1.0
314.11697	1.4
315.12289	2.3
324.09924	0.8
327.12393	2.6
329.13962	100.0
330.14386	1.8
339.12604	1.1
341.14005	0.9
343.15475	7.4
357.13525	1.7
418.12314	0.6
419.12607	1.7
471.77856	0.5
479.20630	1.6
491.20526	1.1
501.56818	0.6
506.18704	0.6
509.21832	45.4
510.22333	2.1
521.21753	6.6
539.22430	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.3
57.03316	51.9
57.04423	1.2
57.61018	0.8
58.99971	1.3
59.01242	71.9
59.02406	1.5
61.61026	0.9
61.98697	2.5
71.01241	16.5
73.02799	5.4
73.64565	1.1
74.37273	0.8
79.62075	1.0
81.03326	1.2
83.01219	4.7
85.02811	10.0
87.00747	2.2
89.02299	13.2
96.95907	2.8
97.02806	1.1
99.00786	4.0
99.04376	55.1
101.02299	31.7
111.00751	1.9
113.02288	6.1
124.01550	1.0
125.02304	30.6
131.03383	5.4
143.03438	4.6
148.31636	1.1
149.04498	2.7
156.75034	1.4
159.02919	1.9
161.04539	6.1
173.04550	2.0
185.10764	1.2
263.15002	20.2
263.17752	1.3
377.18301	8.0
391.66928	1.1
395.19238	100.0
437.20297	15.1
437.26074	1.3
539.23218	11.7
542.26495	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2837
Annotation	Carthamosterone A
Peak:m/z	Relative Intensity
51.31442	0.4
55.01751	0.5
55.53071	0.4
57.03314	0.6
58.09658	0.4
59.01244	17.5
61.97344	1.7
61.98694	100.0
61.99862	1.3
62.85437	0.4
68.66667	0.5
71.01241	7.5
71.43616	0.4
72.99173	0.6
73.02818	1.3
78.95757	0.5
83.01259	1.8
85.02814	3.5
87.00753	0.7
89.02306	4.6
94.17846	0.5
95.01205	0.8
96.95869	1.1
99.00751	0.6
99.62048	0.5
101.02304	4.8
111.00722	0.9
113.02311	2.8
119.03355	1.0
119.04870	0.8
141.88484	2.0
145.02863	0.6
152.99463	0.8
153.94814	0.5
196.58131	0.5
203.14371	0.6
205.12375	1.5
213.49759	0.5
215.35249	0.5
217.00354	1.5
219.13898	1.3
233.15456	2.8
262.32770	0.6
285.22104	1.1
297.22342	1.8
311.22330	1.7
315.23328	1.0
333.24341	4.8
374.99170	1.2
377.23123	0.7
420.70541	0.6
456.63562	0.6
476.30054	1.4
495.29901	0.9
539.28644	76.9
540.28937	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	539.286
Annotation	Phoenistatin
Peak:m/z	Relative Intensity
55.01754	0.7
59.01242	11.8
61.98696	7.8
67.20900	0.7
70.20512	0.6
71.01242	6.4
72.99187	0.7
73.02806	2.9
75.50237	0.6
78.95749	0.6
83.01233	2.2
85.02811	3.8
87.00714	1.0
89.02277	0.9
91.73325	1.1
92.93810	0.6
101.02322	4.6
103.47354	0.7
111.00774	1.3
113.02321	3.2
116.46999	0.7
126.25822	0.7
174.86220	0.8
203.14421	0.7
217.00333	1.9
219.13857	7.5
285.22211	3.3
297.22321	3.0
313.21680	1.6
315.23352	4.4
317.21512	1.0
333.24332	10.7
359.05286	0.9
361.24197	1.0
374.99213	1.7
377.23138	1.8
461.56778	0.9
495.29697	1.0
539.28644	100.0
540.29089	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	539.2866
Annotation	Phoenistatin
Peak:m/z	Relative Intensity
54.08383	0.2
57.03309	0.4
58.87920	0.2
59.01242	10.6
59.02519	0.2
61.97417	1.7
61.98693	100.0
62.00113	1.2
71.01240	4.1
73.02807	0.9
74.65041	0.2
75.37993	0.2
83.01246	1.0
85.02800	1.6
87.00759	0.4
89.02293	3.2
93.03298	0.3
96.95866	1.0
99.00771	0.4
101.02302	3.0
113.02305	1.4
115.67570	0.3
117.03315	0.5
119.03375	0.6
119.04898	0.7
121.02783	0.3
122.81094	0.3
125.02319	0.3
126.78569	0.2
141.88474	0.9
145.02878	0.3
156.67043	0.2
164.70580	0.3
181.06502	0.4
183.04440	0.4
191.10771	0.5
205.12280	0.6
207.04366	0.3
212.39078	0.3
217.00247	0.7
219.13882	0.5
225.05559	0.8
249.05611	0.3
251.03508	1.0
265.18188	0.3
267.06601	0.4
271.20728	1.6
285.22156	0.4
289.21805	0.6
293.04584	0.4
297.22198	1.0
315.23233	1.0
317.24979	0.8
333.24429	2.8
361.23718	0.5
374.99246	0.4
380.48373	0.3
385.97461	0.3
387.08679	1.1
413.06631	1.8
414.28467	0.3
476.30273	0.9
539.28662	43.0
540.28943	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.2
57.15048	0.1
57.73936	0.1
59.01247	3.9
59.01546	0.2
61.97288	1.3
61.98694	100.0
61.99966	1.8
64.10861	0.2
71.01244	1.6
71.62484	0.2
72.99171	0.3
73.02814	0.6
83.01261	0.4
85.02818	0.8
85.99977	0.2
87.89468	0.2
88.76923	0.2
89.02304	0.9
91.72795	0.2
96.95840	0.2
99.00747	0.2
101.02309	1.2
113.02326	0.5
117.03304	0.2
119.03421	0.2
119.04883	0.3
145.02859	0.5
163.03899	0.2
172.82701	0.2
179.98560	0.2
217.00298	0.3
219.13895	1.3
230.94417	0.2
257.19135	0.9
297.22198	0.6
309.69107	0.2
317.25177	0.2
333.24380	0.8
353.68106	0.2
384.04697	0.2
387.08945	0.3
476.30051	0.8
539.28644	17.5
540.29413	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	0.5
61.98692	36.7
61.99952	0.8
67.54160	0.4
67.54636	0.3
68.80545	0.4
95.01219	0.5
95.83174	0.4
95.88162	0.6
98.36434	0.8
98.36985	0.5
98.52885	0.5
98.53424	0.5
100.93568	0.4
107.01246	1.3
117.16631	0.4
124.01534	0.6
125.02273	0.5
125.37698	0.4
131.89946	0.4
136.01534	0.4
136.45566	0.4
151.00252	4.6
151.54590	0.8
159.04428	0.8
163.00288	2.0
169.01314	0.5
171.04402	0.8
178.99754	2.6
183.04323	0.4
187.03929	1.2
199.03937	1.7
203.03380	3.2
214.02690	0.9
215.03468	3.1
215.40947	0.4
217.01347	0.6
227.03462	0.7
231.02965	3.4
241.01437	0.8
242.02148	1.8
243.00537	0.5
243.02989	8.2
255.03120	0.5
257.04633	0.8
259.02478	9.4
260.02914	0.8
269.01035	0.5
270.01746	3.0
271.02484	20.5
272.02817	0.7
276.00800	0.4
285.04175	2.8
286.01215	0.9
287.01981	18.4
288.02634	1.3
298.01279	0.8
299.02087	1.3
300.02722	0.7
301.03513	1.1
303.04965	0.6
314.04361	4.8
315.01483	34.3
316.02206	12.6
330.03821	46.1
331.04593	35.9
332.04901	0.7
366.09903	0.4
384.79141	0.4
459.34860	0.4
477.10400	100.0
478.10867	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	540.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06075	0.4
52.12391	0.5
58.01717	0.8
58.02841	42.9
58.04075	0.5
59.01239	3.2
59.91014	0.5
61.15506	0.4
66.84673	0.4
71.01231	0.7
74.02322	0.5
75.71492	0.4
79.62780	0.4
87.29605	0.5
96.95876	5.1
96.96808	1.1
97.33379	0.4
98.01595	0.5
109.02852	0.5
114.01825	2.0
131.94687	0.7
134.41261	0.5
141.52992	0.5
146.47958	0.6
147.04315	0.7
156.06329	0.6
160.08484	0.6
164.07076	28.7
174.04044	1.2
184.65518	0.5
196.28441	0.5
206.08173	100.0
216.80750	0.6
250.07207	2.4
263.40506	1.1
284.59369	0.5
364.10541	2.9
504.16824	0.6
527.18121	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49215	0.4
53.84779	0.4
55.01749	1.0
57.03320	2.1
59.01242	10.5
61.98687	0.8
63.49064	0.4
70.99734	0.8
71.01238	43.9
71.02927	0.7
71.04887	0.6
73.02805	6.6
75.00740	0.5
76.89018	0.3
78.95770	0.4
83.01234	3.9
85.02804	10.3
85.99962	0.6
87.00742	0.8
88.03896	11.0
89.02293	1.8
91.73080	0.7
93.03325	1.5
93.96045	0.4
95.01247	1.7
96.23115	0.4
96.95882	0.9
97.02778	0.5
99.00722	2.8
99.04350	0.5
101.02299	12.2
101.02959	0.7
105.94282	0.4
110.76150	0.4
111.00688	0.5
113.02306	6.9
115.00233	16.6
119.25993	0.4
125.02326	1.1
125.45576	0.4
129.01791	0.5
143.03378	0.6
143.04504	0.7
148.03906	0.5
149.09677	0.5
158.18770	0.4
159.02841	0.9
161.04480	4.8
174.76633	1.3
177.50824	0.4
189.06625	0.6
190.08632	1.8
191.07217	0.4
203.63826	0.4
218.11923	0.5
228.73682	0.4
228.84581	0.4
248.38768	0.4
262.14490	1.2
263.12912	1.7
264.15198	0.5
305.11551	0.7
328.05917	1.3
334.16516	0.9
344.87762	0.4
377.13611	1.1
393.32788	0.4
395.18915	1.0
424.19824	9.7
425.18201	17.0
478.20737	0.5
496.22006	4.5
522.19794	2.3
540.20880	100.0
541.21313	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	541.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31065	0.2
59.01228	0.4
72.99162	0.4
73.02393	0.5
73.02804	9.8
96.95868	0.5
99.00742	1.8
99.92433	6.6
99.93091	0.3
101.74454	0.2
108.02045	0.6
109.02830	0.6
114.93258	0.3
116.89477	1.3
116.92721	100.0
116.96430	0.9
117.01798	28.8
117.92720	2.8
123.04386	0.5
124.14648	0.2
125.02321	0.7
126.94936	0.2
129.13699	0.2
137.02324	0.3
149.06036	0.3
151.03688	0.3
152.01030	0.7
162.03067	0.3
167.03406	1.1
177.05481	0.3
178.02606	0.4
179.03410	0.5
186.06729	0.3
193.05029	0.6
215.14424	0.3
233.15553	0.3
261.14954	0.3
275.65924	0.3
287.12823	1.0
291.10645	0.5
305.06717	0.8
305.14093	0.3
341.41629	0.2
349.13007	0.8
367.13986	2.9
395.13452	0.5
423.12939	1.2
441.11890	0.4
481.08221	0.3
508.93405	0.2
511.16498	0.3
523.15912	0.3
541.16907	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80134	0.9
59.00082	1.8
59.01241	94.2
59.02509	1.5
61.98685	4.4
65.74930	1.2
71.66354	1.0
72.72447	1.3
72.80344	1.1
73.02726	1.4
74.44640	1.0
87.47275	1.4
90.82905	1.1
97.06429	1.6
121.06464	2.4
123.04392	1.3
128.75906	1.3
134.47348	1.3
148.05206	1.8
149.05957	11.0
173.05997	2.2
175.03915	2.0
185.06078	2.8
199.07578	2.6
201.05478	1.4
213.09042	1.6
214.42387	1.8
215.10735	8.2
217.05038	3.0
217.12228	8.5
218.05905	2.3
218.09303	1.6
227.10721	2.5
229.12366	1.7
233.11797	82.4
244.11063	8.2
245.11829	2.9
251.48347	1.5
259.09744	18.7
260.10464	3.6
261.11325	100.0
262.11560	1.7
275.09085	2.2
283.16980	1.7
285.18637	1.5
291.10074	1.6
295.22855	1.9
333.24301	2.2
339.23318	3.4
367.22748	3.1
373.27567	2.2
385.23877	4.7
399.28787	2.2
405.24341	6.1
417.30106	5.4
421.27515	2.3
423.25491	7.2
434.54459	1.5
487.32166	2.4
505.33292	5.3
523.34338	57.8
523.42334	3.1
540.34326	1.4
541.35211	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	541.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21058	0.4
50.61819	0.4
57.02040	0.4
57.03317	37.0
57.04433	0.8
59.01243	46.5
59.02430	0.9
62.48780	0.4
69.03294	1.4
71.01239	30.7
72.99155	1.1
73.02811	10.6
75.00728	0.8
80.43855	0.4
81.03304	1.4
83.01235	6.4
85.02805	15.4
85.34334	0.4
87.00716	2.8
89.02295	7.9
89.33264	0.6
95.01246	1.9
96.95897	2.3
97.02801	2.1
99.00742	4.7
99.04377	32.0
101.02303	39.6
111.00774	0.6
113.02308	17.3
115.03936	0.6
119.03362	1.9
124.01574	0.8
125.02313	24.6
126.02670	0.5
129.01819	1.0
131.03389	1.1
139.03870	0.5
143.03392	4.4
147.86357	0.7
152.00986	0.6
156.25926	0.9
159.02884	3.0
161.04465	13.6
167.03352	0.5
178.93231	0.6
179.36877	0.5
205.03458	0.6
217.10764	0.7
235.11852	21.0
277.12851	0.7
379.16113	26.6
380.16382	0.7
397.17166	100.0
398.17569	3.3
411.18250	0.5
439.18195	11.5
479.21558	0.9
481.23145	2.6
541.21423	11.5
542.22260	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30393	0.5
55.01758	0.8
55.84716	0.4
57.02195	0.6
57.03316	35.1
58.00444	0.5
59.00057	0.8
59.01242	44.6
63.02811	0.4
64.30683	0.4
68.73826	0.5
69.03284	1.0
70.99693	0.7
71.01239	29.0
72.99163	0.6
73.02807	11.0
74.83783	0.4
75.00731	0.8
81.03301	1.6
83.01242	5.3
85.02808	16.5
87.00737	2.6
89.02297	7.2
94.15116	0.5
95.01244	2.1
96.95863	1.6
97.02813	2.1
99.00750	4.7
99.04374	32.6
101.02303	40.8
109.02770	0.7
111.00723	1.4
113.02306	16.3
115.88830	0.4
119.03362	1.7
123.04362	0.7
124.01542	1.1
125.02312	25.1
139.03964	0.4
143.03394	4.4
156.25803	0.9
159.02917	2.8
161.04451	14.7
235.11841	19.3
277.13141	0.6
379.16138	24.2
397.17166	100.0
398.17465	1.8
411.18188	0.9
439.18213	12.1
481.23157	2.6
541.21509	11.9
546.83954	0.7
567.99536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2294
Annotation	Nudifloside C
Peak:m/z	Relative Intensity
51.80632	0.4
57.03320	1.5
59.00977	0.9
59.01242	14.2
67.67876	0.5
71.01240	7.8
73.02797	1.2
83.01241	0.6
83.04878	1.8
85.02788	2.4
89.02293	5.1
91.72673	0.7
92.92643	1.6
93.03298	1.5
96.90051	1.3
96.90679	1.1
96.95870	1.2
101.02296	5.0
109.02793	1.1
109.06448	0.5
113.02272	2.5
116.92723	5.9
117.01797	1.5
119.03359	2.2
131.53888	0.7
133.04947	4.6
135.04398	0.9
136.05139	1.7
137.05917	2.0
149.05945	2.4
150.06750	11.4
151.07516	4.0
152.04672	2.1
153.09055	1.6
163.07562	3.2
164.04706	3.7
165.09087	1.6
173.04509	4.0
176.04646	0.8
176.08234	0.8
177.09125	0.8
187.07596	0.7
201.09131	2.0
205.12341	1.0
216.11443	2.0
233.11781	1.0
233.15443	3.6
234.06776	1.1
248.70462	0.6
263.20071	1.0
273.18625	23.1
274.18884	0.9
275.20255	1.2
281.91077	0.6
289.18121	3.8
291.19675	74.5
292.19998	1.5
299.16586	2.8
317.17569	13.4
317.23224	0.7
335.18652	1.4
343.15402	2.0
361.16464	4.5
367.08005	0.9
379.17740	3.5
453.24966	7.6
459.20538	1.0
461.16379	0.6
479.22855	6.1
481.06320	0.9
497.23898	4.7
523.21820	6.2
541.22913	100.0
542.23047	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	541.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.7
61.49022	1.3
61.98672	0.3
65.28342	0.3
71.01250	0.4
71.21227	0.3
82.95277	0.5
85.02810	0.4
89.02292	0.9
90.36221	0.3
91.03861	1.4
91.68049	0.3
92.32727	0.4
117.03327	14.9
118.04117	1.8
119.04893	30.4
119.08414	0.4
121.02831	2.9
123.04398	0.8
133.02814	0.9
145.02837	99.5
145.07600	1.2
146.03175	0.9
162.03162	0.8
163.03909	23.6
168.21391	0.4
178.51144	0.4
252.52768	0.3
267.19653	2.0
285.20703	9.1
345.24487	0.7
359.33704	0.4
413.23367	15.8
431.24377	12.2
447.39108	0.4
505.28110	100.0
506.28241	2.9
541.29456	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55880	0.3
53.95570	0.4
59.01234	1.4
61.49020	1.6
61.49360	0.9
65.22888	0.4
69.56374	0.4
70.32804	0.3
70.90079	0.4
89.02254	0.5
91.03864	0.7
106.76238	0.4
117.03324	15.1
118.04165	1.0
119.04889	30.6
120.05249	0.6
121.02816	3.7
122.76334	0.4
123.04434	0.7
128.49223	0.4
133.02852	1.1
145.02834	94.6
145.07248	1.2
146.03195	1.0
162.03093	0.5
163.03909	24.3
164.19180	0.4
234.14252	0.4
267.19751	1.9
268.98621	0.4
285.20724	7.6
301.75906	0.6
325.49356	0.5
345.24329	0.5
357.00894	0.5
370.27835	0.5
371.52075	0.5
413.23389	13.8
414.23953	0.7
431.18689	0.3
431.24377	10.4
436.40634	0.5
505.28101	100.0
506.28302	3.8
524.22595	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62886	0.4
53.36559	0.4
53.95552	0.4
55.26643	0.4
59.01239	1.2
59.18725	0.3
61.49020	1.4
61.98687	0.4
63.53667	0.3
73.19407	0.4
78.21201	0.4
78.95762	4.6
91.03861	0.4
110.99712	0.4
117.03321	13.7
118.04108	1.7
119.04893	32.5
120.05235	0.8
121.02817	2.1
123.04368	0.6
145.02834	91.8
146.03162	1.9
152.99461	3.1
162.03189	0.6
163.03905	28.3
164.04218	0.8
172.89249	0.4
267.19702	2.9
285.20709	6.6
287.64230	0.5
387.25247	0.9
405.26587	2.4
413.23395	12.3
414.23837	0.6
431.24377	10.5
431.30219	0.5
505.28104	100.0
506.28430	5.9
541.25665	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	541.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20916	0.3
59.01243	0.9
61.49023	1.4
66.29425	0.3
71.01220	0.3
75.47963	0.3
78.95757	0.5
89.02290	0.3
91.03868	0.8
94.66682	0.4
96.95804	0.4
104.40942	0.3
117.03326	14.3
118.04135	2.0
119.04891	27.0
121.02837	3.0
123.04397	0.6
129.34848	0.3
133.02788	0.6
144.98026	1.0
145.02834	94.4
145.07059	1.0
146.03148	1.2
152.99501	0.7
154.41257	0.3
162.03185	0.7
163.03908	23.9
198.70091	0.4
267.19617	1.9
281.20425	0.3
285.20700	8.6
345.24426	0.5
413.23358	14.7
414.23489	0.7
431.24432	9.8
505.28107	100.0
506.28088	2.0
541.25507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3021
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
51.80296	0.5
55.01750	0.7
57.03306	0.6
58.92377	0.4
59.00973	0.9
59.01243	13.2
61.98681	0.8
62.76507	0.5
71.01241	7.7
72.99164	0.9
73.02792	2.5
73.73526	0.5
73.98866	0.5
83.01228	2.5
83.77277	0.5
85.02802	3.4
85.06422	0.6
87.00747	1.2
87.16848	0.6
88.30018	0.5
89.02288	3.4
96.95852	1.0
97.41687	0.5
99.00732	0.8
101.02318	6.3
113.02290	1.8
115.07523	1.1
117.03326	2.1
119.03409	0.6
119.04895	4.4
121.02847	1.2
145.02834	11.6
146.03119	1.3
159.20218	0.5
163.03882	2.7
184.04768	0.6
203.61467	0.6
205.76451	0.6
219.17468	2.7
223.83569	0.7
231.17375	1.1
247.16972	6.0
277.18039	0.9
285.20694	0.9
299.23792	1.6
317.24817	1.4
333.24393	4.4
335.25946	20.4
363.35757	0.7
374.47742	0.6
379.25504	1.0
413.23532	1.6
431.24298	1.3
440.28134	1.2
441.28378	4.1
505.28067	9.9
506.28592	0.8
541.30261	100.0
542.30627	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	541.3018
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
54.50735	0.7
55.01744	1.0
59.00978	1.0
59.01244	13.2
61.98694	4.8
64.67390	0.7
68.00807	0.8
71.01229	7.2
72.99179	1.3
73.02792	3.1
78.95771	0.9
83.01237	2.2
85.02805	5.1
85.99966	1.1
86.22517	0.9
87.00737	2.0
89.02321	0.9
99.00723	1.2
99.99186	0.8
101.02303	6.6
109.62695	0.8
111.00726	1.6
113.02309	1.5
119.04908	1.4
133.04942	1.7
145.02815	1.5
165.92125	0.9
191.14468	1.2
317.25122	1.2
333.24457	5.1
335.25964	25.0
430.22757	1.0
497.31100	2.1
541.30225	100.0
542.30444	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	541.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91802	0.6
53.24092	0.7
57.03318	1.2
59.01241	17.3
59.01517	1.3
61.20154	0.7
61.98695	1.9
64.00180	0.6
71.94939	0.7
83.04901	0.8
89.67761	1.4
97.06441	3.9
99.08023	3.1
107.04959	0.8
121.06508	2.7
122.03665	0.8
123.04391	1.3
135.04410	1.5
137.06139	0.8
139.11119	1.6
147.04398	2.4
148.05220	1.7
149.05972	14.5
153.23058	0.7
173.05977	1.6
174.03154	0.9
175.03896	1.3
183.08139	1.2
185.06020	3.3
186.06664	1.0
199.07608	3.1
200.08423	0.7
203.10719	1.1
205.12260	1.0
207.49692	0.8
211.07603	2.1
212.08339	1.1
213.09172	3.4
215.10736	5.3
217.04964	1.5
217.12350	4.7
218.05827	1.6
219.13989	0.9
225.09145	1.8
227.10794	2.1
229.12375	2.6
231.10242	2.8
233.11800	56.0
234.12170	2.7
237.09242	1.0
244.11110	4.9
245.11792	2.3
253.12321	1.4
259.09750	14.1
260.10495	3.8
261.11334	66.8
262.11746	3.3
273.18561	1.1
275.09207	6.3
281.15515	2.8
283.17032	3.0
293.21112	1.1
295.17117	3.5
295.22873	1.1
297.18491	0.9
307.17172	1.7
309.18506	0.8
323.19977	1.3
333.24408	5.7
339.23190	4.9
349.18167	1.8
365.21341	1.2
367.23065	4.2
373.27417	2.0
383.22116	1.4
385.23840	8.8
399.29166	5.4
405.24463	9.6
417.30093	5.5
421.27679	4.0
423.25430	7.5
424.25916	1.3
439.28409	1.2
443.28363	1.8
487.32236	2.2
505.33142	10.4
523.34308	100.0
524.34619	4.7
541.23755	1.6
541.35242	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	541.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55367	1.3
56.45788	1.1
57.03308	4.3
59.01235	5.3
61.98693	3.0
66.79522	1.2
67.70261	1.2
70.39923	1.2
91.41122	1.3
97.06425	6.9
99.07471	1.4
99.08020	8.3
121.06471	1.9
123.04408	5.1
139.11249	1.7
148.05167	1.6
149.05946	2.6
150.80508	1.5
157.06445	3.2
185.05991	2.1
191.17047	1.4
199.07649	5.6
202.75778	1.4
217.12431	1.8
219.14046	1.8
223.07594	2.4
227.10692	2.0
229.12299	3.9
238.34798	1.6
243.13922	2.4
267.13895	1.6
289.25391	2.0
293.15665	1.8
293.21252	4.0
295.17181	1.7
315.23322	3.5
323.20163	1.9
333.24411	22.6
339.23337	7.3
367.22702	5.0
373.31500	2.9
377.24634	1.9
379.26782	2.0
381.28009	2.6
385.23886	3.3
399.29065	25.2
405.24387	27.4
417.30118	55.5
421.27530	3.8
423.25436	41.0
424.25336	2.6
439.28485	3.1
443.28122	4.4
505.33313	13.9
523.34277	100.0
524.34515	3.5
541.35400	23.0
546.10406	1.5
553.22406	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13146	4.5
61.98690	17.3
64.44710	6.4
64.95105	12.5
71.83530	5.8
73.96910	9.1
74.00550	16.2
75.73071	6.5
80.48653	5.9
82.06465	5.7
90.96651	7.7
91.24409	5.9
97.03948	7.8
100.02135	23.4
105.52634	7.0
109.02846	17.2
109.03961	33.0
111.01916	7.9
111.05524	14.3
121.02808	8.2
124.07804	6.6
126.00082	27.2
129.10249	7.2
140.07065	9.0
143.02704	31.7
153.10193	13.1
155.08162	100.0
174.46658	6.9
176.09441	6.7
176.33289	7.1
181.09715	25.1
222.12466	9.5
225.16148	9.2
277.22855	9.6
318.84760	8.2
320.24036	9.9
381.25012	41.4
388.16476	20.8
465.25363	58.6
474.27072	65.6
476.28690	31.5
498.19815	45.8
508.26038	66.6
542.24951	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.176
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63227	0.2
65.41969	0.2
67.37341	0.3
67.55111	0.2
71.01249	0.4
71.52495	0.2
73.02808	0.2
78.95762	1.3
79.95580	2.1
82.95274	0.9
96.93378	1.6
96.95868	100.0
96.96866	3.2
96.98690	0.9
99.92409	0.3
108.02087	0.3
116.92724	4.8
117.01826	0.3
117.92734	2.1
118.92495	1.9
118.93262	0.3
140.40884	0.2
180.14386	0.2
186.06953	0.3
209.86859	0.3
233.15634	0.3
243.14000	0.3
287.13058	0.8
290.05157	0.3
308.10452	0.3
367.13715	1.3
423.12781	0.5
507.12924	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	543.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15385	0.1
54.68492	0.1
59.01234	0.2
59.65717	0.1
68.79831	0.1
68.86168	0.1
78.95765	2.4
79.95590	1.9
96.93182	1.2
96.95870	100.0
96.96754	4.9
96.98198	1.2
97.95808	0.1
110.79056	0.1
116.92741	0.7
122.03603	0.3
150.03110	0.2
165.05466	0.2
167.07037	3.9
177.01848	0.1
377.05533	0.1
398.93585	0.1
543.15259	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	543.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30717	2.4
59.01239	13.9
60.28579	2.9
60.92654	2.4
61.98693	4.0
62.47853	3.0
63.09758	2.4
68.99678	4.3
83.01248	12.7
83.04906	3.7
83.60193	2.9
85.02808	4.2
91.72741	4.4
93.03324	3.6
95.01195	3.1
95.04884	2.9
97.06441	5.9
97.98566	3.1
100.66093	3.1
106.04068	5.6
107.04913	11.0
109.02835	5.8
119.04955	8.7
121.06480	14.6
127.00240	29.0
128.49106	3.0
131.04910	4.5
132.45227	3.1
133.06459	10.4
133.08939	3.1
134.03613	3.7
135.04408	15.6
139.03877	3.5
139.07570	3.3
144.05714	8.9
147.04408	13.7
149.05980	27.4
151.03928	4.9
157.06499	3.3
159.04478	3.9
161.05966	21.5
162.03105	5.2
163.03946	4.6
175.03964	11.7
177.05478	20.8
191.03513	3.8
199.11240	4.8
203.03525	4.2
215.07254	4.1
217.12292	100.0
219.03062	5.5
221.04485	42.3
233.11893	6.4
238.04820	4.5
243.10341	4.4
245.11827	35.9
255.13959	4.8
261.11401	15.4
271.13455	4.3
291.12497	10.2
301.14493	10.5
320.96045	4.2
377.17728	7.6
395.18600	6.2
483.16608	39.2
543.26306	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	543.2603
Annotation	[1R-[1R*,2S*(Z),4S*,6R*,8R*(Z),9S*,10S*(Z),11R*]]-1,6-Dimethyl-9-(1-methylethenyl)-7-oxo-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,8,10-triyl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
55.67060	0.6
59.01239	13.2
59.64969	0.7
61.98692	4.7
63.84907	0.7
71.01225	1.5
72.99133	0.9
73.02809	1.1
78.95749	2.2
85.02769	1.2
87.70926	1.2
87.71355	1.1
89.49902	0.8
91.73447	1.0
93.03320	1.1
95.04902	1.8
97.02795	2.5
99.08007	0.8
101.02312	1.4
101.05948	1.2
123.04389	2.7
123.08031	2.4
136.05191	3.7
137.05962	2.6
149.05942	1.4
160.05261	0.8
161.05954	3.1
163.07643	1.4
165.09203	1.3
173.05969	2.1
174.06755	3.3
179.10666	5.1
187.03777	1.0
188.04703	2.3
199.05783	0.9
202.06300	5.3
202.09956	3.7
203.10631	1.0
212.15477	0.9
217.12274	16.5
219.10211	2.1
221.11923	2.1
231.10246	13.0
233.11838	3.0
235.13417	8.9
245.11806	100.0
246.12186	1.9
249.11314	1.4
259.09866	1.0
261.11349	3.0
279.10315	1.7
477.22336	1.3
507.23984	8.6
543.26013	64.9
544.26569	3.2
546.58820	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47449	0.1
54.02583	0.2
58.94726	0.1
59.01231	0.4
60.50084	0.1
63.42095	0.2
66.84950	0.2
78.95766	0.2
93.03300	0.4
115.00229	0.6
117.03312	1.2
119.01568	1.4
119.04891	100.0
120.05196	0.9
145.02838	4.4
152.99515	0.2
162.98534	1.2
163.03903	98.3
164.04210	1.2
241.79967	0.3
357.79291	0.2
415.25146	0.3
426.31036	0.2
505.28326	0.6
507.29636	46.1
508.30032	1.5
535.24420	0.2
543.13165	0.2
543.26172	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07309	2.0
57.03306	10.6
59.01237	22.3
61.98678	5.9
71.04883	10.9
82.11610	2.5
82.84948	2.1
83.04881	3.0
83.50420	2.7
86.94088	2.6
95.04900	3.1
107.04867	5.6
107.76034	2.4
109.06469	3.1
123.04362	5.1
123.08037	9.9
135.04411	2.8
139.11165	5.8
141.06801	2.3
157.06540	4.0
158.07278	2.6
165.09126	4.8
173.06023	3.2
183.10173	3.7
189.09186	10.8
191.14378	12.3
193.15933	4.7
199.07687	4.7
201.11313	6.1
217.12292	9.5
231.10265	6.5
233.11848	8.1
237.15108	3.1
241.05077	8.1
243.10368	4.0
245.11792	14.9
258.08948	4.8
259.09698	11.9
260.10544	100.0
261.11273	17.1
262.12164	5.5
273.22430	3.0
280.40039	2.5
283.20767	5.5
287.23569	3.4
289.25302	3.3
295.22858	28.0
297.18457	3.0
301.21616	11.0
311.20242	11.3
317.20999	3.9
319.22791	8.3
329.21307	12.0
331.22784	6.8
333.24344	63.7
347.25864	17.8
357.24469	7.8
359.26117	3.1
375.25394	76.5
383.18900	6.1
383.29608	3.1
409.27527	33.7
415.28510	7.7
425.30905	3.9
427.28488	40.2
443.31805	3.4
449.30835	8.2
465.48428	3.4
466.07913	2.9
467.31616	49.3
485.32855	46.0
489.23196	3.6
507.23904	18.0
525.36060	11.2
543.36780	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	544.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40659	0.1
59.17153	0.3
62.96267	0.1
65.86298	0.1
78.94050	0.6
78.95760	41.7
78.97734	0.6
91.27734	0.1
96.96822	5.6
119.04925	0.1
126.87987	0.1
128.03413	0.3
128.87753	0.1
145.02817	0.2
150.97916	1.8
152.99474	100.0
153.04822	0.9
153.99858	0.7
161.96550	0.1
171.00542	3.7
193.73755	0.1
240.02817	0.2
303.23312	0.5
457.23642	19.5
458.24240	0.8
544.13428	0.2
544.26831	3.7
545.27081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
62.85343	0.4
63.57128	0.5
78.95760	1.2
82.02827	0.8
82.18829	0.6
84.12621	0.5
117.03328	1.2
119.04150	0.5
119.04877	2.9
127.99679	1.3
128.03404	100.0
128.87694	3.0
129.03690	0.9
130.87347	0.8
144.87184	1.9
145.02829	4.1
145.85406	0.5
153.05450	0.6
154.51067	0.6
163.03957	1.0
175.62193	0.6
193.57512	0.6
323.13028	0.9
324.13513	1.1
398.08694	2.3
415.25046	6.7
416.25055	0.7
544.12488	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	545.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.2
65.77629	0.1
67.51324	0.1
69.12946	0.1
71.18758	0.1
74.05300	0.1
79.95585	1.6
96.95869	100.0
96.98317	1.5
97.95807	0.2
105.90240	0.1
117.14435	0.1
120.57145	0.1
151.00281	0.3
204.69376	0.1
243.03017	0.2
255.03053	0.7
271.02490	1.3
272.03207	0.2
300.02771	2.4
301.03448	1.6
331.58926	0.1
447.09363	3.0
448.09824	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	545.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96306	0.7
54.24842	0.7
67.69450	0.8
72.99156	6.2
74.49763	0.7
75.98141	0.8
77.04327	0.7
79.95602	1.0
86.65259	0.9
87.00737	2.0
91.01766	1.0
91.05405	2.5
96.95871	50.7
96.96862	2.5
107.04891	9.0
117.03352	1.0
121.02802	1.8
125.02341	1.2
127.61135	0.9
131.04897	1.7
133.06473	4.6
135.04453	1.2
149.05981	22.2
149.07158	1.6
156.00223	1.0
163.03899	2.8
167.03418	1.0
177.05489	14.2
179.03427	23.9
195.06540	2.5
206.86919	1.0
221.04549	1.0
223.01276	0.9
239.05588	100.0
564.26495	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83747	0.5
51.88695	0.5
57.03316	52.6
57.04469	0.8
58.00465	0.7
59.00147	1.1
59.01242	78.1
59.02455	1.2
59.34303	0.6
65.42017	0.8
69.03307	1.6
71.01237	27.7
72.99157	1.1
73.02805	7.5
81.03305	1.8
83.01240	5.3
85.02805	11.9
87.00716	2.2
89.01759	1.0
89.02297	18.8
90.90207	0.7
93.03304	1.0
95.01253	0.7
96.95869	3.3
97.02805	2.3
99.00725	2.6
99.04375	58.4
99.06996	0.8
101.02304	32.6
101.05110	0.6
109.02808	1.0
111.00726	2.4
113.02300	9.7
115.03867	1.2
124.01499	0.8
125.02312	38.6
131.03381	8.5
132.14351	0.7
137.02379	1.0
143.03391	6.3
149.04414	3.0
155.28957	1.3
159.02869	2.3
161.04451	11.2
165.05478	2.3
167.03401	1.1
173.04460	2.9
177.01871	0.8
233.06546	1.7
269.10324	16.3
293.08701	1.2
307.14078	1.1
383.13489	9.7
391.28574	0.7
401.14554	100.0
402.14984	2.7
443.15634	14.0
501.19852	1.5
545.10791	1.0
545.18567	8.6
552.83875	0.8
556.53033	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44785	0.1
59.01242	0.2
61.92157	0.1
72.99140	0.3
78.95763	1.7
79.95592	1.7
82.95274	3.3
96.93101	1.0
96.95869	100.0
96.96755	4.6
96.98339	1.5
97.46025	0.1
98.95483	0.4
101.02291	0.2
110.94494	0.2
177.01857	0.3
262.65619	0.2
268.82059	0.2
281.95129	0.2
291.01898	0.4
447.22598	0.2
545.18402	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	545.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21300	0.1
59.01236	0.1
61.30542	0.1
66.15196	0.1
67.18475	0.1
78.95298	0.1
78.95762	2.8
79.95589	1.9
82.95264	1.5
89.02336	0.1
90.45494	0.1
95.97462	0.1
96.93088	0.9
96.95872	100.0
96.96761	5.2
96.98344	1.5
97.95833	0.2
98.95445	0.1
109.02847	0.1
122.43486	0.1
163.36850	0.1
180.98140	0.1
207.91779	0.1
447.22354	0.1
562.55457	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	545.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91887	0.1
51.97389	0.1
59.01231	0.1
67.48897	0.1
71.01207	0.1
73.02800	0.1
78.95762	1.6
79.95585	1.6
82.95263	0.3
86.32325	0.1
86.83412	0.1
87.12280	0.1
91.72726	0.1
93.03320	1.3
93.57818	0.1
96.93119	1.1
96.95869	100.0
96.96858	3.5
96.98343	1.5
98.95467	0.1
101.02321	0.2
109.02795	0.1
127.04050	0.1
137.02318	2.8
153.01872	0.2
160.38225	0.1
202.40186	0.1
265.68237	0.1
284.03134	0.1
351.14685	0.4
362.06076	0.1
364.02701	0.1
524.43964	0.1
527.28796	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	545.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60451	0.2
59.01222	0.5
66.28904	0.4
70.34353	0.3
71.01221	0.4
78.95757	1.8
79.95589	1.5
93.03323	1.1
96.93469	1.5
96.95869	100.0
96.96861	3.1
96.98612	1.0
108.02019	0.6
109.02819	2.3
118.23628	0.4
121.02824	0.5
125.02296	0.5
135.04425	2.0
137.02304	2.4
145.02834	0.4
151.00261	0.8
152.01016	0.5
153.01828	0.5
169.45293	0.3
175.03908	0.4
183.37434	0.3
229.62468	0.4
251.07135	0.4
283.09784	2.2
308.41302	0.4
311.09213	3.7
312.10110	2.1
313.10364	1.0
323.05743	3.0
323.09171	0.7
324.09811	0.6
325.10791	0.6
326.11612	6.5
327.12216	2.9
328.12683	0.8
338.11716	0.5
341.13953	1.2
385.12946	8.6
386.13287	0.6
387.13501	0.9
397.13089	0.9
463.17538	3.6
464.18173	0.4
465.18445	0.8
507.16785	3.0
508.16916	0.6
545.26996	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	26.3
61.98693	4.7
72.28213	1.6
72.28628	1.8
78.95750	9.2
91.72721	1.7
99.07996	2.6
101.05914	2.2
107.04886	100.0
109.02842	1.9
118.73325	1.8
121.02825	2.7
123.04349	3.1
135.04367	9.7
137.09575	2.5
149.05984	12.4
150.93468	1.9
152.99457	23.2
161.06004	2.6
165.09097	9.7
172.05116	2.6
177.01746	3.3
179.03418	52.8
194.66077	1.9
215.10852	5.0
217.00262	6.9
217.04959	2.3
217.12317	6.4
224.43364	2.1
231.10246	4.7
233.11771	21.5
234.12173	4.6
235.12654	2.4
245.11815	11.8
258.35846	2.1
259.09741	8.3
260.10544	64.7
261.11298	11.0
262.11542	4.2
338.93326	2.4
371.66241	2.2
409.62915	2.1
459.25375	3.7
465.25751	3.0
468.08728	2.0
489.23184	11.4
491.23993	2.7
507.23608	3.0
509.25433	95.9
510.25793	3.8
545.27448	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	545.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83253	0.4
59.01013	0.3
59.01246	3.0
61.98678	1.2
62.97830	0.4
62.98167	0.3
64.77275	0.4
70.26763	0.3
78.95761	0.6
91.73280	0.6
97.92658	0.4
107.04881	1.0
111.09142	0.4
144.88649	0.5
149.05939	0.9
152.99411	0.7
158.03673	0.5
159.04453	0.6
172.05138	0.7
174.03224	0.5
176.04643	0.5
187.03862	1.8
201.05505	0.8
203.10509	0.5
215.03458	0.7
215.10728	0.7
217.04990	1.7
217.12376	0.4
230.09399	2.0
231.10201	2.2
233.11882	0.8
243.10307	1.5
244.11014	7.7
245.11833	0.8
247.13252	0.5
258.08911	2.9
259.09750	5.1
260.10544	100.0
261.11179	5.6
265.14468	1.2
509.25595	2.4
519.84729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88506	1.1
59.01243	100.0
59.02395	1.6
61.96454	1.2
61.98685	5.5
70.31496	1.5
78.95747	2.5
86.11118	1.4
98.91856	1.3
99.08022	1.8
101.05946	2.1
101.80780	1.2
107.04889	29.5
110.90549	1.3
135.04408	5.5
145.06680	1.6
149.05991	18.2
152.99574	1.8
159.04541	1.8
177.05499	3.8
179.03410	7.2
203.06491	1.3
215.10757	3.8
217.12274	3.1
229.12155	1.6
233.11803	18.9
241.80145	1.5
245.11902	2.2
260.10532	3.2
261.11386	4.8
267.64053	1.5
376.59421	2.0
485.32526	4.5
487.34024	2.7
509.25415	64.5
510.25745	2.8
545.38068	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	545.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	59.2
61.55605	2.4
61.98682	7.7
78.95747	6.6
80.86661	2.7
82.02745	2.2
86.50781	2.5
94.41458	2.4
99.08002	3.6
101.05905	3.4
107.04881	100.0
128.78439	2.8
135.04395	6.7
149.05983	6.4
152.99449	6.6
177.05510	4.6
179.03406	46.0
195.38333	3.1
215.10693	5.9
217.12360	8.0
231.10292	4.3
233.11713	16.5
243.10167	6.1
244.11069	10.4
245.11838	11.0
247.13246	4.5
260.10416	6.8
261.11346	24.5
390.14767	3.5
463.24954	3.4
489.22873	3.3
491.23853	3.6
507.23956	6.7
509.25455	85.0
510.25879	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91101	0.4
59.01240	7.6
61.98693	1.0
71.01241	4.0
73.02779	0.9
78.95769	0.6
83.01237	0.8
84.13092	0.5
85.02815	1.0
86.84583	0.6
87.00745	1.0
89.02302	4.8
93.03291	1.1
95.01227	0.6
97.06435	0.8
98.17329	0.6
101.02300	5.6
113.02324	2.6
113.09566	2.0
115.07512	0.8
119.03360	1.9
119.04862	0.7
123.04316	0.7
128.41496	0.6
137.02325	1.8
137.17407	0.5
141.09071	1.1
145.02853	1.7
146.04477	0.8
151.11169	1.0
161.04436	2.6
163.03911	0.7
165.12782	3.2
167.14326	1.5
177.12778	0.6
179.05594	0.8
181.12274	2.4
181.74997	0.7
183.13843	0.7
193.12271	1.2
195.13852	2.4
197.11832	1.0
203.81036	0.6
211.13383	2.2
211.54709	0.6
213.14848	0.6
221.15448	1.7
240.13747	1.4
241.14426	1.1
247.20634	3.3
249.19958	0.6
253.09285	18.0
273.18655	3.2
281.21167	0.9
291.16360	1.3
291.19669	34.6
309.20734	100.0
310.21088	3.5
362.18845	0.9
545.29578	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	545.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89941	1.0
59.01007	1.1
59.01244	11.9
61.93635	0.9
61.98690	1.7
63.39413	1.1
71.01251	6.0
73.02795	1.1
75.78700	1.0
81.64130	1.2
83.77922	1.0
87.00739	1.1
89.02306	7.4
93.98801	0.9
97.06433	1.4
101.02294	8.6
108.23062	1.1
113.02300	4.0
119.03366	1.8
119.27403	1.3
132.31250	1.2
146.99269	1.0
160.80554	1.0
161.04469	3.2
165.12820	2.0
167.14368	2.3
179.05574	1.4
179.82785	1.1
181.12219	1.8
190.47000	1.0
195.13937	1.9
210.36375	1.2
211.13304	2.5
221.15364	1.9
240.13689	1.2
247.20656	5.7
253.09303	22.5
273.18686	3.6
281.21271	1.5
291.19699	35.8
309.20737	100.0
363.89511	1.2
545.29761	13.6
554.88239	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34270	0.3
52.67172	0.3
57.03291	0.4
59.85753	0.4
76.47115	0.4
79.55383	0.4
83.04874	9.2
84.52673	0.3
99.88750	0.4
101.02314	2.0
101.04304	0.4
101.05943	2.2
104.26955	0.5
106.04091	0.5
107.04858	0.4
119.04874	1.2
121.02820	1.1
126.95735	0.4
127.01942	6.0
127.05601	1.1
139.74496	0.4
145.04901	2.3
165.63194	0.4
271.29944	0.4
275.23926	1.0
329.28510	26.7
330.28799	2.5
357.53494	0.4
373.27493	7.7
374.27844	0.7
383.02173	0.4
399.27151	23.5
400.27414	1.6
483.29053	9.2
484.29691	0.4
528.41577	0.4
544.33173	0.8
545.33002	100.0
546.33289	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	545.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61718	0.3
53.43330	0.3
54.92479	0.4
58.99976	1.9
59.01241	100.0
59.02344	1.2
60.07516	0.4
60.88914	0.3
61.98691	1.4
63.57194	0.6
72.56326	0.4
95.70168	0.4
99.08022	0.8
101.10306	0.4
109.02773	0.4
128.51837	0.4
165.09088	0.5
261.11377	0.6
262.12024	0.7
285.22308	0.4
297.40466	0.4
460.03995	0.5
485.32782	0.7
501.67444	0.4
545.15820	0.7
558.01428	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00092	1.9
59.01241	100.0
59.02562	1.4
61.98692	3.9
62.17799	0.4
63.32352	0.4
63.57404	0.9
68.78784	0.4
69.22517	0.4
71.74630	0.4
78.95766	0.7
79.55623	0.5
85.02851	0.5
85.04260	0.4
90.26913	0.4
99.08007	0.9
100.59371	0.5
117.35017	0.4
123.04418	0.6
137.02306	0.5
146.23044	0.4
152.99442	2.9
217.12419	0.6
233.11798	2.7
235.13419	0.6
244.11200	0.5
245.11856	2.8
246.12210	1.9
247.12534	1.5
260.10486	0.6
261.11316	3.8
271.39288	0.6
299.19843	0.4
303.88293	0.5
312.76352	0.5
355.86688	0.5
419.29739	0.8
431.29520	0.7
485.32877	1.3
504.03882	0.5
507.24271	1.9
508.23965	0.5
509.25613	0.9
545.26917	4.8
545.33765	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99170	0.3
54.92653	0.3
59.00212	1.2
59.01242	100.0
59.02409	2.0
59.19907	0.3
60.01596	0.4
61.98688	1.0
63.26002	0.3
78.01847	0.3
78.95753	0.5
79.48186	0.3
82.82240	0.3
85.02827	0.6
97.16366	0.3
99.08022	0.6
107.04907	2.0
149.05965	0.6
152.99513	0.8
179.03439	0.7
217.12436	0.6
219.06972	0.3
233.11902	1.8
244.11073	2.0
245.11786	1.8
251.90877	0.4
260.10593	1.2
261.11398	1.0
411.29340	0.6
419.29669	0.4
431.29758	0.8
433.27701	1.0
435.29300	1.2
447.29324	1.2
467.31927	1.7
469.33386	0.5
485.32706	3.2
487.34402	0.8
509.25513	3.7
511.30499	0.4
545.39117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24544	0.7
59.01250	5.1
60.08372	0.6
61.97478	1.9
61.98696	100.0
62.00074	1.4
74.92336	0.6
80.04609	0.5
85.27711	0.6
96.95894	0.6
109.02766	0.8
130.47021	0.6
133.02864	1.2
177.01875	0.9
261.11206	0.9
279.29044	0.7
555.55634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04082	0.1
59.17134	0.4
61.50458	0.3
61.98693	0.4
62.96281	0.2
78.93778	0.5
78.95758	39.4
78.97491	0.5
80.18491	0.2
89.65005	0.1
96.96818	5.3
101.20036	0.2
105.01768	0.2
117.03315	0.3
119.04891	0.6
121.02849	0.2
128.03398	0.7
129.01793	0.3
145.02873	0.8
150.97931	1.6
152.94109	1.0
152.99472	100.0
153.04134	0.9
153.99808	0.5
163.03937	0.3
171.00529	3.7
205.71680	0.2
216.62108	0.2
249.18587	0.3
305.24774	1.0
404.31943	0.2
459.25195	20.8
460.25558	0.6
514.26355	0.5
529.42053	0.2
546.12396	0.2
546.28357	5.2
547.28448	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	546.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.8
59.17135	0.4
61.50477	0.4
61.98694	0.9
66.39445	0.4
66.53485	0.3
68.35924	0.4
69.71295	0.4
72.56324	0.4
78.93790	0.5
78.95759	39.5
78.97509	0.6
96.96813	5.3
150.97905	1.5
152.99472	100.0
163.96428	0.4
168.04341	0.4
171.00546	3.9
175.20464	0.4
260.10571	1.6
261.11182	0.5
305.24747	0.8
459.25214	19.3
544.11450	0.5
546.28534	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	547.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00204	0.5
54.29345	0.4
55.27604	0.5
59.01252	0.5
61.89214	0.6
61.89484	0.5
66.21291	0.5
81.03326	0.6
91.01728	0.5
91.72643	1.1
94.64976	0.9
94.65508	0.7
96.95870	20.6
101.02328	0.5
103.64165	0.5
108.02034	2.5
109.02814	80.0
109.05840	1.0
110.03172	0.7
113.02298	0.7
113.71618	0.5
118.72333	0.5
152.01031	1.7
153.01830	63.3
154.02185	0.8
213.05632	0.8
214.06387	1.4
224.04773	0.6
227.03455	4.7
239.03542	1.4
240.04285	2.6
241.01425	0.8
241.05132	2.8
242.05829	3.2
253.05009	2.2
255.03073	2.7
256.03848	1.4
267.03018	3.3
267.06406	0.8
268.03827	1.6
269.04575	10.3
270.05328	8.6
280.03906	2.9
281.04596	2.0
282.05270	3.3
283.06186	2.9
296.06915	1.5
297.04111	2.2
297.07742	5.7
297.11023	0.9
298.04834	27.1
299.05414	2.3
299.08954	0.5
302.04013	0.7
313.07199	80.9
314.07504	2.3
393.02930	21.6
393.08078	1.2
394.03403	0.8
408.09937	1.3
467.09842	100.0
468.10172	3.1
547.05548	23.0
548.05920	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67052	0.1
59.01237	0.7
61.90328	0.1
66.45374	0.1
71.01247	0.3
73.02850	0.2
78.15302	0.1
79.95581	1.6
87.39567	0.1
91.73412	0.3
93.03341	0.2
96.93409	1.5
96.95868	100.0
96.98681	0.9
104.15596	0.1
107.01302	0.1
125.02328	1.6
128.03346	0.3
151.00314	0.4
153.01758	0.3
156.78754	0.1
173.04465	0.2
178.99756	0.2
233.08167	0.2
259.06131	1.4
269.04532	1.1
287.05582	0.8
331.12659	0.2
347.11432	0.2
427.19861	0.2
449.10873	3.0
547.19897	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48948	0.3
52.04079	0.3
59.01240	6.8
60.46460	0.3
61.98689	0.5
62.47491	0.3
63.82936	0.3
64.90226	0.4
69.18317	0.3
80.37112	0.3
81.36569	0.3
85.83827	0.3
86.65989	0.3
100.03649	0.3
108.02011	0.4
109.02792	1.1
119.04900	0.3
121.02815	1.7
123.04368	0.4
134.03609	1.4
135.04372	1.3
136.01541	4.2
137.02338	3.9
145.98070	0.4
147.04347	2.0
149.02330	0.6
149.05969	0.8
151.03903	3.4
159.04398	0.7
160.05136	1.2
162.03088	0.5
163.03914	0.6
163.88116	0.3
173.06026	1.0
177.05458	0.4
178.99751	0.3
187.03891	0.7
189.05511	0.7
190.06395	0.3
190.24648	0.4
191.07065	0.4
197.06039	0.6
209.06100	0.5
210.06711	0.4
211.07565	2.0
221.06042	0.5
223.07599	2.3
224.04774	0.7
225.05498	1.4
227.07140	0.4
235.07399	0.4
237.05562	1.2
238.06276	0.5
239.07097	10.3
240.07762	1.9
247.07495	0.7
249.05421	0.5
250.06314	0.6
251.07155	1.2
252.04286	1.9
252.07922	0.4
253.05063	1.5
253.08885	1.5
254.05870	0.9
254.09511	0.8
255.06531	0.8
261.09177	0.7
263.07129	1.2
264.07886	0.6
265.05078	1.2
265.08618	0.7
266.05847	0.9
267.06635	11.9
267.09735	0.4
268.07367	4.4
269.08109	0.6
272.06897	1.4
273.09164	1.0
275.07254	1.6
276.07980	0.6
277.08710	1.2
279.06622	0.6
279.10370	0.4
280.07407	0.8
281.08197	4.3
282.05627	0.7
282.08990	2.7
283.06119	2.3
283.09393	0.5
286.08484	0.9
287.07117	1.1
289.08746	1.4
291.06577	1.1
291.10242	0.9
292.07410	1.1
292.10913	0.5
293.08224	1.1
293.21231	0.9
294.08942	0.4
295.06662	0.4
295.09653	2.0
297.07751	1.1
297.11417	0.4
300.06384	4.3
301.08850	0.7
303.10046	0.4
305.08252	3.4
306.08987	0.8
307.09836	0.8
309.07846	0.6
309.11362	1.1
311.08966	0.4
311.22253	1.4
314.07993	3.7
317.08197	0.7
319.09760	3.3
320.10495	0.8
321.11218	1.8
331.09518	0.4
349.10825	0.5
409.10730	0.7
413.13965	0.6
423.12067	0.5
425.13916	1.1
427.11203	0.4
429.13211	0.7
441.13272	1.6
443.14774	0.7
455.15182	0.8
457.17316	1.5
471.14532	0.9
475.17624	0.4
487.11145	0.6
487.17593	5.7
489.15582	1.2
503.16782	1.5
504.17859	1.4
505.18839	0.6
515.16840	0.5
517.18427	1.0
531.16644	1.8
532.17078	1.5
547.19794	100.0
548.20026	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	547.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	20.3
61.98697	18.3
79.24417	7.7
81.30924	7.3
105.03345	10.4
127.43659	7.7
133.02843	46.1
160.01556	20.7
161.02390	14.4
175.03964	59.6
202.58730	7.9
219.13489	8.8
219.45651	7.7
245.11827	17.3
367.11841	9.9
455.27908	18.6
473.28894	39.7
511.20917	12.6
547.32819	100.0
558.48560	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	548.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15937	0.1
59.01239	1.4
60.01576	0.2
61.01679	0.2
61.97306	1.5
61.98692	100.0
61.99900	1.7
71.01214	0.2
89.02311	0.2
101.02322	0.2
104.67134	0.1
145.02870	0.1
161.04587	0.1
249.18584	2.6
250.18930	3.5
251.19208	2.1
252.19473	1.1
253.09219	0.5
254.09695	0.2
255.09698	0.5
256.09991	0.1
279.73911	0.1
364.39828	0.1
470.29715	0.2
555.66888	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	548.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27238	0.1
57.58039	0.1
58.00499	0.1
58.65017	0.1
59.01235	0.8
60.01569	0.2
61.98692	100.0
62.00015	1.8
98.52044	0.1
101.02330	0.2
244.94955	0.1
249.18608	2.1
250.18913	3.3
251.19255	2.0
252.19490	0.8
252.60748	0.1
253.09375	0.2
254.09654	0.3
255.09938	0.4
258.98935	0.1
502.48413	0.1
517.71375	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	549.1619
Annotation	Dunnisinoside
Peak:m/z	Relative Intensity
54.19001	0.7
56.38543	0.7
57.03298	1.0
59.01236	1.0
71.14331	0.8
72.99162	2.1
78.99185	0.9
79.59235	0.9
85.02808	2.9
87.00735	2.5
91.73318	1.4
93.03310	1.4
96.95866	3.5
98.95379	0.9
108.02036	3.0
109.02826	6.4
109.04871	0.9
111.00744	18.7
119.04884	6.2
121.02821	2.5
123.04455	1.2
125.02323	1.1
139.99231	1.7
146.03609	1.5
147.04402	2.9
155.01578	1.3
159.04388	6.9
165.05464	2.2
173.00787	2.6
173.04456	2.7
174.03098	4.4
187.03943	2.7
189.05437	7.1
191.03365	1.1
193.04890	1.3
197.53151	0.8
204.04276	1.0
206.05766	9.9
217.05025	1.4
219.06577	9.3
221.08125	20.1
221.95412	0.9
223.07259	0.8
225.05487	2.4
228.04187	3.2
239.06944	1.1
240.07709	0.9
241.05011	7.5
242.05850	4.8
243.06590	7.7
250.06313	2.2
251.07169	2.5
253.05045	1.6
255.06667	1.3
256.07581	1.1
257.08170	4.5
265.08630	1.9
266.05844	1.3
267.06577	6.1
268.07385	5.5
269.08142	2.6
283.09775	17.1
295.06174	2.4
296.06906	5.9
307.88553	0.9
309.07828	1.2
311.09290	13.6
325.10876	1.7
327.08850	9.6
328.09509	14.0
341.10001	1.2
343.08072	1.6
343.11829	12.1
355.08228	10.1
377.88220	1.0
387.10876	100.0
388.11191	2.1
424.00946	1.0
428.57401	1.2
517.13721	1.1
549.15967	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	549.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15733	0.5
57.03311	3.0
57.82704	0.6
59.01239	11.8
67.01746	1.3
67.07294	0.6
69.02979	0.7
69.03310	4.0
71.01238	14.1
72.97632	0.8
72.99164	45.3
73.02803	56.0
73.04535	1.0
75.00725	1.2
78.95762	6.7
79.80942	0.6
83.01236	17.4
84.80614	0.6
85.02802	39.4
87.00717	4.2
89.02299	2.9
95.01256	7.3
96.96832	2.7
99.00733	8.7
100.01512	5.2
101.02304	19.5
103.03867	4.2
113.02303	73.5
113.05577	1.0
114.02612	0.8
115.00230	2.3
115.03880	2.9
117.01797	22.1
129.01801	10.7
131.03371	48.2
133.01280	2.6
133.04935	3.7
145.01286	1.0
157.01321	19.4
158.92432	1.5
159.02777	1.2
175.02383	41.8
189.03954	4.2
191.05504	6.4
192.05974	1.0
207.05042	100.0
208.05438	1.1
306.63837	0.9
323.02829	6.4
331.94379	0.9
364.21207	0.9
508.52286	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84028	0.4
55.50211	0.5
57.03305	1.4
59.01233	1.1
60.40002	0.4
61.98679	2.0
63.02243	1.0
63.64500	0.4
65.00179	1.0
65.79688	0.5
70.19263	0.5
71.63056	0.8
83.01234	2.2
91.52167	0.6
93.03326	2.2
97.02759	0.6
107.01240	2.6
107.04903	0.9
109.02835	0.8
121.02817	3.8
123.00769	0.7
123.04325	0.7
124.01553	0.7
125.02311	14.3
135.00717	0.9
135.04358	0.9
135.06851	0.6
137.02310	1.6
139.03914	1.2
139.88950	0.6
145.02840	1.1
149.02328	4.1
150.13887	0.6
151.00284	8.5
152.00955	0.9
153.01837	0.9
159.04428	3.6
161.06004	1.0
163.03928	2.5
165.01761	0.8
169.01317	1.1
173.05998	0.8
177.01880	1.3
177.05502	1.0
178.99771	3.9
183.04437	2.0
185.05994	1.0
187.03906	3.9
189.05461	1.0
191.03413	2.2
199.04002	1.5
201.05519	1.8
211.04008	2.2
215.03450	4.2
227.03506	2.9
229.05049	1.4
245.04567	1.4
255.02876	3.2
257.04642	0.9
273.01132	1.3
273.04080	26.7
301.03552	100.0
302.03882	3.0
549.17645	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	549.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	26.2
59.67992	0.9
65.46539	0.6
68.56611	0.6
69.03329	0.8
72.99159	0.8
73.16215	0.7
76.81934	0.6
83.80905	0.6
88.98667	1.1
91.01711	0.8
93.03323	3.2
96.95888	1.2
105.03291	1.0
107.04885	1.2
108.02018	6.1
109.02849	4.2
119.04934	0.7
121.02819	6.6
123.00686	0.9
123.04390	9.1
125.02320	0.8
130.04056	0.8
134.03613	7.4
135.01994	1.3
135.02977	1.4
135.04448	4.4
136.01534	15.5
137.02304	7.1
137.03064	0.7
142.45967	0.8
145.02873	1.4
147.04408	2.1
149.02312	4.9
149.05992	4.1
151.03908	16.6
151.05048	1.3
159.04443	3.4
160.05214	4.2
161.02310	1.7
161.06027	2.2
162.03149	1.7
163.03934	1.5
165.01813	1.5
170.62946	0.7
171.04471	1.5
172.05211	1.3
173.05978	1.8
175.07582	2.0
177.01855	1.6
178.02504	0.9
179.03412	19.6
179.08704	0.9
179.29912	0.8
181.06456	0.8
183.04504	0.7
187.03979	1.0
188.04713	2.4
189.05524	2.3
190.06294	2.7
191.03444	1.8
191.07050	1.0
195.08043	1.5
203.07109	5.4
208.03662	1.2
222.06940	1.2
223.07594	6.5
225.05516	1.4
236.04723	1.0
237.05571	1.4
239.07135	3.1
240.07898	2.0
241.08723	5.8
249.05466	1.0
250.06303	1.4
251.07065	7.6
252.07841	5.0
253.08728	3.1
254.05902	1.7
254.09354	1.1
255.06540	1.1
259.07718	1.5
261.09241	1.7
263.07150	2.5
264.08041	1.8
265.08707	8.2
266.09579	2.4
267.06494	1.6
267.10419	1.2
269.08240	9.0
270.09058	3.5
271.07672	1.8
272.06976	1.8
273.09265	2.9
275.07184	2.2
275.10590	1.0
276.07962	1.1
277.08829	3.7
278.09625	1.3
279.06860	1.4
279.10339	3.7
279.13287	0.9
281.08228	2.0
283.09824	2.5
284.07004	4.6
284.10321	1.5
289.08688	5.2
290.09488	2.8
291.06683	2.2
291.10373	3.6
293.08218	2.6
293.11963	2.2
294.09146	1.7
295.09775	3.1
296.10614	1.2
297.11691	1.5
298.08539	2.9
302.07907	5.3
303.10315	3.3
304.10843	1.4
305.11926	2.9
306.09061	1.4
307.09744	6.3
308.10678	1.4
309.08136	0.9
309.11450	2.9
311.12799	0.9
316.09677	1.7
319.09766	2.6
321.11237	3.5
323.12918	4.2
339.12354	11.5
381.11478	0.8
393.11365	0.9
395.13266	0.9
397.14807	0.9
411.12073	1.6
411.16684	1.4
413.13870	1.2
415.15506	1.1
425.14145	4.1
426.14755	2.7
427.15491	2.2
429.17282	3.1
441.17175	3.1
443.15317	1.0
445.16534	2.1
455.14938	1.1
457.16638	1.4
459.18280	5.5
471.18164	11.0
489.19263	5.9
501.19620	1.5
505.18619	4.9
516.17804	1.7
519.20544	30.3
520.20667	2.3
531.20386	100.0
532.20575	5.0
533.18542	2.4
549.21399	83.2
550.22009	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	549.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15145	1.9
50.18045	1.5
59.01204	7.2
61.98675	2.7
71.01189	1.7
81.03270	2.7
83.01214	2.9
84.86919	1.9
89.02254	2.4
93.03291	2.2
95.01184	3.8
95.04853	2.1
97.02765	5.6
101.36961	1.7
108.01972	2.3
109.02821	12.9
111.04311	4.5
119.97363	2.0
121.02775	5.2
123.00676	2.7
123.04293	3.1
124.01483	4.6
125.02317	24.4
134.03497	2.5
135.04390	2.8
136.01503	3.0
137.02319	18.0
138.03075	9.4
139.03911	15.1
146.03616	2.0
149.02292	3.0
149.05856	4.8
150.03128	2.1
150.94635	5.9
151.03802	2.8
153.01768	2.5
159.04324	4.2
161.02277	2.4
161.05840	2.7
164.00909	6.9
165.01811	11.2
167.03265	7.5
172.23863	1.9
175.03796	6.7
175.25955	2.3
176.04688	3.5
177.01704	8.2
177.05351	6.2
179.03419	2.5
179.19293	1.8
189.05328	2.4
191.03307	3.1
191.06995	2.4
195.06200	2.0
197.63710	2.3
199.10623	2.4
203.03311	4.5
218.05804	2.2
219.06671	11.1
221.04411	9.7
251.07205	2.5
284.94559	5.6
287.02765	2.4
369.17035	9.9
381.16693	5.7
409.16187	7.0
423.17700	7.7
459.17932	3.6
471.17850	5.2
505.21863	9.2
513.27020	20.2
519.19751	8.1
531.19275	8.7
549.21021	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	549.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.8
58.99966	1.5
59.01244	97.0
61.98690	2.5
68.73974	1.3
69.03307	2.3
70.07643	1.3
77.96753	1.3
83.35690	1.3
93.03320	6.6
99.08016	5.4
107.04897	1.6
108.02023	3.2
109.02822	9.9
119.04899	4.1
121.02844	9.3
122.03619	3.6
123.04392	7.8
125.09609	10.4
131.04895	1.5
134.03625	9.2
135.04388	13.8
136.01546	27.7
137.02321	12.2
137.97179	1.4
143.04932	4.0
145.02876	1.8
145.06380	1.8
146.03645	2.4
147.04404	6.1
149.05968	6.8
150.03113	1.7
151.03906	21.3
158.03687	2.1
159.04427	17.1
160.05179	19.6
161.05977	10.8
162.03143	2.6
166.99940	1.4
171.04448	3.0
172.05191	8.8
173.06023	9.5
175.03868	2.8
175.07559	6.7
177.05562	2.7
178.06302	3.9
179.03432	2.0
189.05495	22.7
189.07082	1.9
190.06279	22.4
191.07057	5.8
192.65198	1.7
201.12843	2.0
204.07887	4.7
205.08650	10.5
209.06073	5.6
211.07614	3.4
219.13905	11.2
222.06847	2.3
223.07625	13.9
227.07216	4.6
237.05513	2.1
238.06389	7.3
239.07114	22.7
240.07944	3.7
250.06447	3.2
251.07143	27.1
252.07935	6.7
253.08714	13.5
254.09207	2.3
261.09097	2.6
263.07208	3.2
263.12924	6.4
264.07953	2.8
265.08694	6.4
266.09637	7.3
267.06876	1.7
267.10379	2.9
273.09570	1.7
275.07037	2.6
277.08655	10.3
278.09485	3.0
279.10306	3.2
281.08136	2.0
283.10059	1.6
284.06854	2.0
286.08490	1.8
289.08844	4.2
290.05630	1.8
291.10226	6.7
292.07324	2.0
293.08145	2.9
298.08426	5.1
307.09851	4.6
309.11276	2.2
319.09814	2.0
321.11346	2.7
333.07794	3.4
335.12817	2.1
393.10162	4.4
399.12463	6.4
411.12421	5.8
413.13702	4.2
414.14713	12.1
415.15405	2.3
425.14255	3.3
426.14902	5.9
427.16113	2.2
428.16595	2.4
429.17120	23.7
441.17172	22.1
444.15784	9.3
447.18118	4.7
455.15350	2.3
456.15726	4.2
459.18195	83.8
460.18433	2.0
471.18121	83.3
472.18668	3.6
489.19046	4.9
504.17786	3.7
516.18134	2.9
519.20306	99.5
520.20776	4.7
531.20306	100.0
532.20245	3.7
549.14832	6.7
549.25696	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	549.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00014	1.2
59.01242	68.8
61.98667	2.3
62.31787	1.1
66.74481	0.9
68.77989	0.8
71.01228	1.3
73.16897	0.9
93.03308	2.1
108.02031	6.2
109.02821	9.1
116.17148	0.9
121.02818	22.2
122.03555	2.7
123.04375	6.9
125.02290	1.6
130.59732	1.2
134.03612	7.3
135.04398	5.5
136.01534	26.2
137.02322	13.1
138.52927	1.1
140.64967	1.1
147.04384	1.5
149.02263	2.5
149.05928	4.0
151.03897	22.6
152.39084	1.0
157.06386	1.4
158.03592	2.4
159.04405	5.7
160.05215	6.0
161.05927	4.6
163.03802	1.5
171.04439	1.8
172.05136	4.6
173.06046	5.3
174.03142	1.2
175.07501	3.5
184.05235	1.1
185.06018	5.7
187.03807	1.6
187.07539	1.1
188.04732	1.3
189.05536	6.2
190.06242	10.9
191.07076	5.3
197.06090	2.3
205.08636	7.1
209.06030	1.6
211.03917	1.4
213.05487	1.5
225.05522	5.4
226.06349	2.4
227.07065	1.4
237.05482	3.0
239.06970	2.2
240.04158	3.4
241.05037	1.4
242.05705	1.4
249.05536	1.6
251.07091	1.8
252.04182	2.2
253.05058	5.6
254.05803	9.2
255.06567	4.6
257.07889	1.0
263.07022	2.7
264.07675	2.4
265.08655	2.2
266.05908	1.5
267.06476	4.3
268.07437	6.7
269.08194	15.3
270.08844	2.3
274.06528	1.3
275.07025	2.2
276.07687	1.1
277.08679	2.8
279.06714	1.3
280.07303	1.8
281.07993	2.9
282.08804	1.5
283.09778	9.4
284.10471	1.4
286.04813	1.4
289.08743	1.7
291.06500	4.5
291.09778	1.8
292.07236	4.4
293.08109	3.9
294.08649	1.6
295.06320	1.3
295.09680	2.1
296.10117	1.1
297.07739	1.4
297.11148	1.5
301.06985	1.5
302.07892	2.0
303.06451	1.1
304.07324	1.3
305.08264	5.2
306.08859	2.4
307.09674	10.5
308.10422	2.2
309.11340	1.5
319.09589	1.1
321.07562	1.7
321.11163	2.1
323.09055	2.6
323.12680	1.4
337.10657	2.9
414.11142	2.0
429.13361	13.8
441.13208	1.6
443.15100	7.1
444.16016	8.5
458.17502	5.4
459.18835	25.2
474.10748	0.9
474.16840	13.1
477.19366	7.3
489.19229	100.0
490.19629	2.5
507.20306	8.8
513.27130	6.8
519.16479	3.4
534.18964	13.6
549.21143	90.6
550.21796	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	549.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53450	0.5
55.81876	0.6
57.03321	1.2
59.00069	1.2
59.01244	62.3
59.02557	0.9
64.51192	0.6
67.01749	3.8
69.03325	1.1
71.01247	9.9
71.01604	1.1
72.99144	0.8
73.02802	3.5
75.80891	0.6
81.03329	0.9
83.01242	1.7
83.04869	1.0
85.02815	12.3
87.00733	2.2
89.02307	1.6
89.39410	0.7
93.03316	22.6
95.01247	1.0
96.95885	1.0
97.02817	2.4
99.00732	1.3
99.51944	0.6
101.02299	6.0
109.02867	0.9
111.00700	0.8
111.04374	5.3
113.02315	5.5
125.02346	1.1
127.03880	1.3
137.02327	2.5
141.01765	4.9
142.04999	0.7
142.91519	0.8
155.03404	4.0
161.04456	2.3
173.04465	100.0
190.98769	1.3
191.05542	94.1
192.05832	1.0
259.04654	0.9
289.16574	7.1
299.02893	1.2
331.17676	6.7
334.90137	0.7
340.94901	0.9
351.14398	2.1
367.13992	1.1
407.13989	0.8
423.12891	1.0
429.10577	0.7
433.13638	0.9
505.26474	1.0
513.02692	1.0
543.96820	0.7
549.14502	2.9
549.21930	5.4
549.36420	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17143	0.3
57.03319	0.8
59.00135	0.9
59.01241	51.6
59.02495	0.9
66.65289	0.3
67.01743	1.0
69.03322	0.4
71.01237	7.4
72.86498	0.3
73.02803	2.7
74.68780	0.3
74.69213	0.3
81.03316	0.4
81.34758	0.3
83.01237	1.1
83.04885	0.6
85.02805	11.4
87.00722	2.5
89.02297	1.0
93.03317	5.5
95.01250	0.5
96.95861	0.3
99.00755	1.3
99.04366	0.3
100.69076	0.3
101.02294	5.6
109.02811	0.6
111.04376	2.5
113.02299	3.1
115.00226	0.3
125.02245	0.4
127.03880	2.5
129.01805	0.4
132.52620	0.4
133.04939	2.8
137.02348	0.6
143.03418	0.5
155.03352	1.9
159.02856	0.6
161.04457	1.6
171.02895	0.5
173.04459	18.9
191.05533	100.0
191.12849	1.0
192.05884	0.8
246.07613	0.3
259.04565	0.9
283.19113	0.5
289.16568	4.8
299.02582	1.1
301.20264	1.6
302.42075	0.3
327.21475	0.5
331.17612	4.5
387.23911	0.8
445.24374	0.8
463.25366	2.0
505.26587	8.1
549.21967	6.6
549.29327	0.7
550.21686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39114	1.2
51.72533	1.6
52.24408	1.4
59.01241	16.2
61.98696	3.9
67.60641	1.3
71.01250	6.5
73.02816	5.9
77.76730	1.8
83.01263	2.6
83.53532	1.4
85.02823	4.7
86.86989	1.6
89.02314	4.9
93.03329	1.7
99.00793	2.9
99.21595	1.6
101.02312	8.1
109.02198	1.5
109.02801	8.6
111.04402	2.0
113.02326	3.5
116.92547	1.9
121.02848	4.1
123.00747	2.7
123.04411	1.6
124.01550	3.3
125.02294	11.6
134.03644	3.5
135.04433	2.1
137.02313	10.2
138.03148	4.4
139.03902	5.6
145.21935	1.7
147.04486	4.0
149.05975	3.4
151.03862	2.8
153.01840	2.5
159.04462	3.8
161.04478	3.8
164.01071	5.3
165.01880	5.0
167.83176	1.9
175.03976	4.0
176.04732	3.5
177.01834	6.7
177.05446	2.3
179.07014	2.0
187.03903	1.9
189.05524	3.2
189.86797	1.6
207.06601	5.8
219.06660	5.8
221.04596	3.9
251.07393	2.0
339.99588	2.1
370.10757	2.8
371.11694	3.2
381.22882	4.6
423.18329	2.5
459.18109	8.4
471.18387	7.2
489.19254	3.6
505.21964	3.1
513.27081	64.1
514.27686	2.6
519.11237	1.7
519.20142	10.4
531.20258	14.5
549.25159	100.0
550.25201	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	549.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74707	5.7
59.01255	11.3
63.39816	5.7
67.42076	5.7
70.32161	7.2
71.01233	8.0
71.87003	6.3
78.56776	6.1
85.05252	7.0
85.49424	7.2
86.20028	7.0
101.02369	7.8
109.02840	7.4
115.74174	6.7
158.63902	7.3
202.02283	6.8
382.08939	8.8
467.14661	8.6
513.27191	44.0
529.34735	8.3
549.17249	9.5
549.24969	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	549.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	0.9
59.01242	33.1
59.02421	0.6
61.56762	0.4
71.01235	5.0
72.99168	4.6
73.02464	0.4
73.02814	4.8
75.00720	0.5
75.19861	0.5
75.34502	0.5
82.68584	0.5
83.01231	2.2
83.04890	2.7
84.58644	0.4
85.02807	4.1
85.99900	0.8
87.00719	1.4
89.02296	0.6
91.72755	0.6
96.95853	0.7
99.00714	1.3
101.02303	8.0
111.00706	0.9
111.04359	2.3
113.02324	2.8
125.02311	0.6
128.03406	2.2
129.05472	0.5
136.19516	1.1
142.75142	0.5
156.36000	0.5
161.04445	0.6
171.87506	0.6
237.18527	1.9
265.18103	2.1
283.19107	2.6
301.20224	2.4
313.20184	0.7
385.22739	0.5
445.24542	4.5
463.25528	13.1
464.25366	0.7
487.25595	1.8
505.26575	100.0
506.26947	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	5.7
71.40708	3.1
78.95779	10.8
84.74629	3.4
88.98658	4.0
91.73336	6.6
100.89713	3.1
101.93314	3.9
126.25129	3.6
152.99506	23.8
233.11900	5.1
235.13359	4.9
242.89212	4.9
245.11813	32.0
247.13405	4.7
267.16010	20.4
311.03729	18.9
325.08719	5.6
333.15036	10.1
354.09409	18.1
364.11505	4.0
405.07892	4.6
449.17902	4.3
477.17429	100.0
478.17749	10.6
489.55270	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45409	5.5
59.01247	5.9
59.19182	5.6
60.26095	5.2
61.43297	7.2
61.98685	12.0
66.18926	5.9
70.19006	6.0
72.70193	5.7
74.64856	5.4
76.11843	6.0
78.95770	16.8
99.54671	6.8
123.07982	9.3
152.99475	10.3
162.56499	7.5
171.69530	7.0
214.18274	6.7
311.03928	21.0
354.09329	25.1
477.17517	100.0
478.17279	10.3
513.28534	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09843	76.5
57.34276	51.2
57.78029	55.6
57.89289	79.2
59.01251	100.0
76.38116	56.9
90.37830	56.8
117.17575	67.7
250.74821	72.5
295.18527	78.1
339.13724	78.5
344.59351	70.4
356.72180	74.6
417.76767	85.1
470.02826	87.3
480.36768	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31038	12.2
55.94595	12.6
59.01243	100.0
61.98695	36.3
91.03900	43.4
107.04974	18.3
140.20618	16.6
140.79774	14.7
196.42542	15.6
196.44286	18.1
249.96616	18.5
263.63666	16.1
277.21939	50.7
279.27063	29.6
397.29193	21.2
415.30627	26.9
478.62936	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70853	0.3
59.01243	13.4
61.98669	0.3
66.96667	0.2
71.01237	2.1
71.14396	0.3
71.19241	0.3
73.02800	0.7
78.95771	1.5
82.76729	0.3
83.01228	0.5
85.02776	0.7
87.00723	0.6
89.02300	2.1
92.92636	0.5
94.48799	0.3
95.25818	0.3
96.95862	1.2
97.02848	0.4
101.02287	2.4
113.02281	0.9
118.68658	0.3
119.03313	0.8
133.04947	2.2
137.17447	0.3
149.15988	0.3
152.99490	1.5
154.99921	0.4
161.04445	0.7
167.64401	0.3
207.26668	0.3
235.08253	1.8
253.09369	12.2
253.21729	100.0
253.32530	0.9
254.22060	2.7
462.24872	0.4
489.31107	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31149	0.4
52.41818	0.3
59.01242	13.6
61.98668	0.3
71.01231	1.8
73.02801	1.1
81.56644	0.3
85.02790	0.4
87.00691	0.5
88.69656	0.3
89.02285	2.6
101.02316	2.3
113.02276	1.0
119.03362	0.7
133.04860	0.7
149.47896	0.3
153.76859	0.3
161.04430	1.0
177.72150	0.3
179.05565	0.4
180.99959	0.3
218.86711	0.4
218.89178	0.3
220.56766	0.5
235.08157	2.0
245.90291	0.4
253.09331	11.5
253.21721	100.0
254.22020	1.9
336.24786	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24439	0.4
57.24737	0.4
58.93953	0.3
59.01240	1.0
61.98693	100.0
61.99997	1.7
78.95780	1.2
96.95892	1.8
116.92739	0.6
119.04914	0.9
122.27243	0.5
145.02876	1.2
146.37273	0.4
202.90509	0.4
251.20186	2.5
252.20459	4.4
253.20828	2.1
254.21123	1.4
396.37830	0.5
514.17255	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25294	0.2
57.25192	0.2
57.25524	0.2
59.01243	1.7
61.97428	1.8
61.98693	100.0
62.00146	0.9
62.39457	0.3
64.67134	0.2
68.43905	0.3
71.01245	0.4
76.25072	0.3
80.49662	0.3
82.61619	0.3
85.40638	0.3
87.00705	0.3
96.95878	1.6
112.57579	0.3
115.00278	0.3
119.04912	0.7
145.02863	1.3
163.03760	0.4
175.02383	1.4
196.83856	0.3
246.86655	0.3
251.20175	3.4
252.20509	3.8
253.20795	2.7
254.21053	0.8
255.09811	0.5
459.99112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72552	0.4
59.01226	1.5
60.26622	0.4
70.02209	0.4
71.01236	0.7
87.00713	0.6
89.02326	0.6
93.03324	3.2
93.22828	1.1
93.23363	0.8
94.77176	0.5
96.82564	0.6
96.95840	1.3
101.77961	0.6
101.78500	0.5
107.04903	1.2
109.02822	0.7
117.62206	0.6
119.04877	1.0
131.04884	1.1
135.04343	0.6
143.04890	1.4
147.04384	3.5
149.05963	3.0
151.48302	0.5
159.04469	0.9
165.05420	2.7
175.03973	0.8
187.03926	8.1
193.04979	2.2
197.02361	0.9
199.03946	2.0
209.90433	0.7
211.90126	15.8
213.01860	0.8
214.02594	0.5
215.03429	5.8
225.01794	0.8
226.92506	8.4
242.02280	0.6
243.02959	11.6
243.35378	0.5
268.03168	2.5
269.02649	54.3
270.03012	1.0
287.01926	37.7
288.02426	2.0
295.00632	3.0
295.03680	0.6
312.01959	1.9
313.01657	40.6
359.01993	0.6
371.02039	2.5
378.40610	0.6
383.02213	1.7
399.01874	0.6
402.00491	1.0
461.06879	9.0
475.04843	1.8
477.06430	2.1
489.06488	5.7
491.21396	0.6
550.06982	1.5
551.06451	100.0
552.06702	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58715	0.3
55.73176	0.4
55.92723	0.3
57.03314	5.5
58.02837	0.4
59.01241	2.9
63.65498	0.4
71.01234	2.6
72.99172	0.5
73.02808	0.8
81.03315	0.4
82.02827	0.6
83.01230	1.0
86.02316	0.6
87.00707	0.8
88.84257	0.3
89.02322	1.2
91.05405	0.5
93.03305	1.6
96.95866	6.5
98.95447	3.3
98.96316	0.5
99.92422	0.5
101.02303	1.2
101.07062	1.8
107.01240	0.9
107.04896	1.1
109.03925	1.3
113.02302	1.0
113.03452	0.4
115.00264	0.8
115.91869	0.5
116.92721	1.6
119.03377	0.7
119.04851	0.9
121.02827	0.9
123.05478	0.7
124.03913	0.6
125.00650	3.1
125.02312	53.9
126.02608	0.6
127.04990	4.9
128.03395	2.8
130.08623	2.0
134.03615	0.7
135.04405	5.7
135.05391	0.6
137.02342	0.6
141.06564	0.6
143.11740	0.7
143.86281	0.4
145.02843	0.4
145.06061	5.1
146.04512	0.5
146.06412	0.5
147.00769	1.7
149.02339	1.6
150.03047	0.5
151.00287	2.7
152.00993	0.9
153.00040	14.0
153.01877	0.9
161.02310	0.6
162.98502	0.4
164.31181	0.4
165.00092	1.4
167.04561	1.1
169.01430	0.4
171.04329	0.5
173.02374	1.1
173.04485	1.9
175.00279	8.0
175.03938	0.5
176.01109	1.9
178.99774	1.5
180.99562	43.9
181.99883	0.8
183.01091	0.7
183.04501	0.4
184.07137	0.8
187.03879	1.0
189.07545	0.8
193.04953	0.5
194.09239	0.6
197.02409	0.5
203.01700	0.6
206.08192	0.5
207.01195	6.1
208.99081	100.0
209.06763	1.2
209.99503	1.9
211.03932	1.7
215.03487	1.2
215.06749	0.6
215.09171	2.2
216.04181	1.8
227.03535	0.9
229.09677	0.7
231.01160	6.3
232.99178	0.7
235.05997	0.6
238.08299	0.6
239.03490	1.0
240.04250	1.0
249.02243	4.5
255.03104	1.0
273.02289	3.3
273.08899	1.1
281.07748	0.8
283.02518	3.2
284.03128	0.8
285.04025	1.6
291.03238	0.6
293.14566	0.5
299.00275	0.4
303.05240	0.8
317.01254	23.2
318.01575	0.9
329.10660	0.5
335.02356	24.3
336.02707	1.1
359.11172	1.0
404.04526	3.7
419.15659	0.4
422.05371	1.2
507.20361	0.7
532.24292	2.8
533.08832	4.6
533.24426	2.2
550.25189	7.3
551.09357	0.7
551.16986	1.4
551.25293	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	551.0987
Annotation	Cryptomerin A
Peak:m/z	Relative Intensity
63.02261	1.4
65.00188	3.3
75.06716	0.2
83.01244	1.1
85.82257	0.2
91.72824	0.3
93.03326	1.2
107.01244	4.0
117.03332	10.6
119.04913	0.3
121.02850	0.4
127.51824	0.2
133.67831	0.3
133.68752	0.4
134.03622	0.3
138.63934	0.2
139.03868	0.2
142.05931	0.4
145.02834	0.8
149.02325	0.4
150.43486	0.2
151.00267	6.6
163.03835	0.3
185.02319	0.3
193.04987	0.4
193.06557	0.3
196.06291	0.2
205.02946	0.5
211.39697	0.2
221.02222	0.3
247.03931	1.2
249.01907	1.6
249.05769	0.2
257.06161	0.4
261.05557	0.6
267.03082	0.3
277.04996	0.3
285.05521	0.7
289.04971	0.6
301.05106	1.2
302.05884	0.3
303.06558	0.4
305.04614	1.3
306.05255	1.1
308.03229	0.6
311.07092	0.4
313.04959	0.3
317.04489	1.6
318.05322	0.6
322.73245	0.2
323.07092	0.5
327.06622	0.3
329.04562	3.5
330.05112	1.0
331.06046	0.6
333.04050	1.8
339.06604	0.7
341.04529	0.3
342.05347	0.3
343.06290	0.3
345.04065	0.8
346.04779	0.6
357.04083	8.6
358.04822	0.7
367.06122	9.1
368.06622	0.3
369.04349	0.3
374.04343	13.3
375.05127	1.1
383.05728	0.4
387.05002	0.3
387.21933	0.4
389.06711	7.5
390.06882	0.4
398.04117	1.4
399.05029	2.2
400.02130	0.4
401.03046	13.3
402.03479	0.4
405.07785	0.6
409.07251	0.7
411.05124	2.3
413.06702	1.6
415.04529	0.4
416.05453	1.8
419.09412	0.3
423.08740	2.8
431.07755	4.6
432.07410	0.3
433.07227	2.0
442.03171	1.0
447.08932	1.4
449.06738	0.5
451.08234	7.6
452.08603	0.3
457.05746	3.5
467.49573	0.2
475.08365	2.8
477.06152	0.8
483.10922	0.5
491.07785	0.3
493.05588	2.4
495.48065	0.3
519.07239	45.9
520.07507	2.4
531.32666	0.3
535.06781	0.3
549.19293	0.3
551.09882	100.0
552.10266	5.3
563.06561	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82977	0.2
59.01233	0.3
61.95605	0.2
61.98687	0.2
63.02265	2.2
64.99895	0.3
65.00176	1.7
73.63010	0.2
78.95799	0.2
82.40702	0.2
83.01250	0.9
91.73291	0.3
107.01249	3.0
112.60931	0.5
112.61741	0.6
117.03342	0.4
126.80982	0.2
130.04132	0.5
145.02879	0.5
149.02357	0.9
149.05940	0.3
151.00262	3.1
155.04935	1.0
158.03644	3.4
160.01566	0.5
169.06682	0.2
173.05989	5.8
175.03932	1.0
179.04927	2.1
188.34651	0.2
193.06567	0.6
195.04440	0.7
197.06053	0.7
204.05693	0.4
217.04941	1.5
217.06795	0.3
220.05247	0.3
221.06006	1.7
223.03926	1.8
229.06444	0.3
231.08180	0.4
233.06032	0.5
235.07637	0.3
244.14357	0.2
259.07593	0.3
261.05612	0.7
262.06570	0.3
263.07159	0.9
267.03180	0.4
277.05182	0.8
285.05539	0.5
287.07092	0.8
289.05124	0.8
291.03467	0.3
301.05130	0.3
303.06580	0.5
305.04568	4.9
306.05453	0.3
307.06113	11.7
308.06485	0.4
309.03958	0.6
319.06207	1.0
329.04419	0.4
330.05429	0.5
331.06137	32.5
332.06512	1.4
333.04059	6.6
343.06262	0.4
347.05582	0.9
357.04068	0.4
367.01492	0.3
374.04453	1.4
375.05118	100.0
376.05389	3.5
376.34692	0.3
397.89517	0.3
399.05130	1.6
401.02740	0.4
431.08310	0.3
551.09863	90.8
552.10278	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	551.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15032	0.3
54.15246	0.4
57.40293	0.3
59.01243	0.7
61.98691	1.9
64.90368	0.4
65.00177	0.5
70.59226	0.3
71.36236	0.4
83.01218	0.4
91.73450	0.4
93.03316	3.8
95.33354	0.4
109.64966	0.5
111.74797	0.4
113.02482	0.4
114.88634	0.8
114.89436	0.9
117.03323	14.6
119.04966	0.8
121.02839	0.4
138.94524	0.4
145.02847	1.2
152.99493	1.0
159.04413	5.6
161.02339	1.6
165.01820	1.2
168.24673	0.5
203.03447	1.4
203.09363	0.4
236.73845	0.5
274.06210	0.5
290.05887	0.7
293.21243	1.4
301.05115	0.5
306.05307	4.5
307.05600	0.4
308.03308	0.5
317.04642	1.3
318.05417	2.7
319.06165	2.3
321.07675	3.9
330.05368	18.6
331.05774	1.4
332.03159	1.1
343.06281	0.5
345.03769	0.8
345.07745	14.4
346.04858	0.7
347.05615	3.0
354.05389	0.7
356.03262	1.0
365.47464	0.6
369.07684	0.5
371.05695	1.4
372.06467	0.5
374.04343	20.2
375.04819	1.9
383.65338	0.4
387.08841	0.5
387.22006	0.8
389.06693	63.2
390.06796	2.1
398.04520	2.9
400.02298	1.5
401.03171	1.1
413.06696	12.8
414.06870	0.8
415.04614	2.9
416.05371	1.7
431.07764	17.9
432.07794	0.8
457.05753	5.3
465.09946	0.6
488.28412	0.7
489.28854	0.7
507.09781	0.5
551.09875	100.0
552.10437	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	551.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00461	7.4
59.01243	5.5
64.70118	0.7
71.01231	1.9
72.99180	1.3
73.02813	0.8
87.00739	3.5
89.02299	1.1
89.86787	0.5
90.26162	0.7
93.03316	9.4
96.95863	3.4
101.02286	1.0
103.00234	1.2
107.04868	4.7
112.98659	2.1
119.04892	6.0
119.13210	0.7
121.02705	0.8
123.04362	0.7
125.02292	1.1
128.03412	0.8
131.04910	2.0
135.04405	3.3
137.05980	1.1
147.04420	6.9
149.05936	6.5
150.20512	0.8
163.03909	1.7
164.85265	0.7
165.05470	100.0
166.05820	1.8
175.03873	1.8
179.03377	0.9
193.04982	12.7
204.40756	0.6
209.04509	4.8
219.02957	2.2
229.08665	12.1
237.03996	6.1
247.09709	1.9
271.02521	0.8
313.12964	16.6
314.13583	0.8
434.59451	0.8
522.23413	0.8
533.18365	0.9
551.06329	2.2
551.17676	2.0
551.31110	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	551.1773
Annotation	Prinsepiol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
56.56170	1.0
57.03329	1.7
59.01248	15.4
63.62625	1.1
67.01744	3.4
71.01241	9.5
73.02805	9.4
73.17309	1.0
75.00760	1.0
78.95776	1.2
81.03331	1.5
83.01253	2.0
83.04884	1.4
85.02821	1.6
87.00739	3.3
87.05513	1.2
88.98671	2.3
89.02287	5.9
91.05390	1.9
93.03312	24.7
96.95877	12.6
98.95480	2.3
99.00747	2.6
99.92466	3.0
101.02289	6.2
105.01826	2.0
107.04895	3.8
109.02830	1.4
111.04375	4.4
112.94138	1.1
113.02322	4.4
115.00247	1.1
115.03861	1.0
116.92724	49.9
116.97160	1.2
117.01796	16.6
119.03383	1.8
121.02830	4.1
123.04404	2.9
123.08022	1.4
125.02308	4.7
126.47852	1.1
128.03430	7.7
129.06583	2.1
131.03569	1.2
133.02829	1.3
134.03621	31.0
135.04399	30.1
137.02332	7.5
145.02826	1.8
147.04410	2.0
149.02321	4.7
149.05962	8.2
150.03110	22.5
151.03944	9.7
155.03400	4.0
160.01582	1.4
161.04428	1.6
163.06061	3.1
164.07031	1.2
165.05484	27.9
171.53967	1.1
173.04463	100.0
174.01559	1.8
175.03850	1.4
177.68370	1.2
178.02628	16.3
180.04227	2.2
180.99590	2.5
181.04987	9.2
191.07091	2.4
193.01413	1.7
193.04997	34.4
195.06517	10.7
196.65051	1.3
205.07201	2.1
208.99101	1.8
235.06052	6.8
236.46422	1.1
241.12064	2.0
249.05507	1.5
253.09409	1.8
277.11914	3.3
282.09009	1.7
329.10437	1.8
335.75632	1.3
336.02853	1.7
341.10410	2.6
359.11349	3.3
370.77948	1.3
377.12430	3.0
389.12454	29.7
449.23026	1.5
491.24600	1.7
507.20712	2.1
551.17310	26.1
553.54059	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1777
Annotation	Mulberroside E
Peak:m/z	Relative Intensity
55.15154	1.1
67.36566	1.1
71.01247	1.8
82.45763	1.1
82.95269	2.0
89.02229	1.2
93.03310	1.1
96.95866	3.6
103.33792	1.2
108.02003	6.7
109.02814	3.5
123.04388	6.2
137.02338	2.3
158.03639	2.9
159.04321	2.6
173.02261	1.6
173.06055	7.4
174.03148	10.2
175.03877	9.6
176.04807	3.1
186.02975	1.9
186.55676	1.3
187.03926	2.9
188.04700	5.7
189.05487	12.9
191.05505	3.9
191.07085	2.6
201.05614	2.3
202.02629	2.2
203.03452	4.4
203.07082	3.8
206.05730	3.1
215.03401	2.5
217.04967	7.7
241.05151	2.8
243.06728	2.2
251.07162	1.7
257.08237	3.9
266.05865	2.8
267.06641	8.5
279.06604	6.7
281.08124	6.4
282.08990	8.4
294.08865	10.2
295.09583	2.4
297.07632	3.7
297.11212	3.6
298.08511	7.0
299.13019	1.4
309.11197	4.7
310.08508	2.5
312.10049	9.8
313.10825	12.6
315.09003	1.5
326.07922	5.6
327.12366	6.5
330.10950	2.6
339.08603	1.7
341.10263	11.0
353.10172	2.1
356.09128	3.3
371.11392	12.2
389.07983	1.9
389.12527	24.6
484.75275	1.5
551.17749	100.0
552.18042	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32183	0.2
53.36709	0.2
53.87953	0.2
53.91523	0.2
54.14230	0.2
55.01051	0.2
56.94567	0.3
56.98948	0.2
58.39076	0.2
58.57445	0.2
59.59179	0.3
68.57645	0.2
69.19396	0.2
72.99174	0.3
89.03805	0.2
93.03313	0.5
96.95895	0.4
105.37503	0.2
109.02827	0.4
111.00776	0.3
119.04919	0.3
121.02838	1.1
123.04411	0.3
127.27968	0.2
133.02812	2.1
133.99734	0.7
134.03609	48.5
134.07993	0.5
135.04298	1.1
137.02319	6.4
139.03889	1.9
143.03406	0.3
147.04475	0.4
149.05963	16.3
150.03096	0.6
157.95871	0.3
159.04318	0.4
164.04800	0.3
165.01811	0.3
165.05537	0.4
165.09178	0.3
177.01787	0.3
178.02626	35.2
179.03339	2.1
192.04202	3.0
192.98247	1.0
193.04985	100.0
194.05318	1.7
207.06557	4.3
207.08366	0.1
210.80890	0.3
221.08160	0.3
294.09113	0.3
301.71616	0.4
301.75003	0.2
309.11111	0.3
313.10764	0.3
325.10797	1.0
339.12408	0.3
401.92322	0.3
461.16040	0.3
473.15720	0.9
496.08435	0.2
521.18134	2.3
533.18201	12.4
534.18756	0.5
551.19128	1.0
560.62225	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1926
Annotation	Thielavin E
Peak:m/z	Relative Intensity
50.72238	0.2
51.23706	0.2
53.83493	0.2
59.00977	0.4
59.01245	5.6
61.98683	0.3
76.71711	0.2
108.02042	0.4
109.02804	1.1
111.98273	0.3
121.02810	1.8
123.00717	0.3
123.15770	0.3
134.03584	0.9
135.04384	0.9
136.01540	3.3
137.02328	6.0
145.02695	0.4
146.03543	0.4
147.04413	0.6
149.02333	1.6
149.05939	0.6
150.03128	0.3
151.03914	3.5
157.06468	0.3
159.04439	0.7
160.05215	0.6
162.03104	0.7
171.04332	0.3
173.05963	0.6
175.03928	0.3
177.01773	0.4
177.05397	0.4
178.02567	0.3
179.03401	0.2
184.11450	0.2
185.05992	0.3
187.03877	0.4
189.05450	0.6
193.05086	0.4
200.04709	0.9
201.05589	1.0
211.04028	0.4
212.04756	0.5
213.05525	0.8
214.06248	0.4
215.03409	0.6
215.07094	0.5
224.04764	0.3
225.05455	0.6
227.03464	1.7
227.07111	0.4
228.04247	4.8
229.01474	0.4
229.05025	6.2
230.05769	1.0
231.02960	0.7
237.05510	0.3
239.03444	0.8
240.04297	0.5
241.04991	1.3
242.02158	2.3
242.05800	1.6
243.02817	0.5
243.06593	2.7
244.07379	0.9
251.07014	0.5
252.04181	0.3
254.05873	1.2
255.03046	1.5
255.06601	1.0
256.03781	4.7
257.04550	8.0
257.07654	0.4
257.08359	0.4
258.05276	1.5
258.08859	0.3
262.04898	0.4
263.07095	0.5
265.04974	0.3
265.08737	0.5
266.05850	0.4
267.06650	1.3
269.04605	1.0
269.08133	1.0
270.05453	2.1
271.06134	11.9
271.09299	0.4
272.06924	6.8
273.00482	0.9
274.04800	0.6
276.06479	1.3
278.05856	0.4
279.06610	0.9
279.09781	0.4
280.07318	0.4
281.04764	0.4
281.08002	1.3
282.05231	0.9
283.06076	1.1
284.06866	1.0
285.07687	2.5
286.04974	0.7
286.08444	1.9
288.02805	0.7
290.04550	0.5
290.07941	0.6
291.06644	0.9
292.07239	0.6
293.08090	0.3
295.06326	1.2
295.09412	0.4
296.06836	0.7
297.07626	1.4
297.10794	0.3
298.08401	0.6
299.05957	0.5
299.09262	1.5
302.04346	0.6
304.05881	5.6
307.09845	0.4
308.06879	0.6
309.07764	2.2
310.08420	1.1
311.09299	0.8
313.10815	0.9
315.08957	0.4
318.07507	2.5
323.09204	1.4
324.09863	0.5
325.10818	1.0
387.08240	0.4
397.79691	0.3
403.12018	0.6
405.13708	0.4
413.10065	0.4
415.12189	0.5
417.13779	0.5
429.13690	0.4
433.12955	1.3
443.11151	0.6
445.12952	0.8
447.14478	0.8
459.14114	1.2
461.12466	1.4
461.17249	0.5
464.14685	0.6
475.13986	1.3
476.14490	0.4
477.15472	1.0
489.15802	0.4
490.16626	0.4
491.17230	4.5
493.15009	2.4
503.17209	0.3
507.16660	1.5
508.17160	1.8
513.27100	0.3
517.14838	0.5
519.16528	1.2
521.13940	2.0
535.16101	4.0
536.17023	2.1
551.19257	100.0
552.19647	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	551.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41516	1.1
61.35196	1.4
61.98698	2.0
69.03312	1.3
70.18996	1.2
95.01225	2.0
108.02053	3.6
109.02812	4.9
110.12749	1.6
119.04855	1.9
120.02034	2.1
121.02836	2.0
122.72587	1.4
123.00755	1.9
123.04385	4.0
124.01537	3.4
125.02319	3.1
129.74722	1.4
131.31189	1.5
132.01973	2.0
133.02834	1.9
133.31534	1.4
134.03610	15.7
135.04410	5.2
136.01527	29.6
137.02333	8.4
138.03130	3.5
139.03867	3.9
145.02856	2.6
146.03622	56.1
147.04413	2.9
148.01573	2.3
149.02295	3.4
149.05945	12.0
150.03091	2.7
151.00259	2.7
151.02666	1.7
151.03902	32.1
152.01021	5.5
153.01846	1.9
160.01558	6.6
160.05209	3.4
161.02359	4.4
161.06003	19.4
162.03152	7.9
163.03970	5.2
164.04692	35.8
164.05984	2.9
165.01787	2.5
165.05411	1.7
166.02666	5.6
167.03409	5.9
175.03920	2.9
176.01077	22.1
177.01823	8.5
177.05437	5.0
178.02559	2.4
179.07050	100.0
191.03398	20.2
194.02156	4.1
209.04521	26.1
219.06635	1.9
235.06160	6.8
341.10376	12.0
357.09818	12.1
358.10596	11.1
371.11383	51.3
372.12067	4.9
373.13089	11.5
513.30920	1.8
533.18262	4.5
551.19189	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28015	3.4
52.16509	3.6
57.53687	2.9
59.01245	6.4
61.98684	6.1
70.66426	3.1
73.25824	3.6
105.91464	3.7
108.02055	5.0
109.02813	12.1
112.33827	4.2
121.02846	12.7
121.04620	4.7
123.00756	4.0
123.04407	11.3
124.01652	4.3
125.02334	5.5
134.03648	23.5
135.04419	7.3
136.01561	31.1
137.02332	14.4
138.03113	8.1
139.03969	4.5
142.63358	3.8
143.47897	4.3
146.03603	47.5
147.04390	6.6
149.02338	6.1
149.05983	20.2
151.00256	9.5
151.03906	54.9
152.00993	5.3
153.01830	7.4
160.01582	6.3
160.05150	4.6
161.02303	5.7
161.05942	21.5
162.03139	18.0
163.03891	10.1
164.04692	39.0
166.02635	5.3
167.03452	8.6
175.03925	9.1
176.00961	6.9
177.01991	9.6
177.05521	12.3
179.03394	52.0
179.07050	100.0
191.03456	18.4
193.05074	6.7
209.04497	29.7
341.10370	12.3
357.09741	33.3
358.10495	26.0
371.11325	74.3
372.12079	10.1
373.12860	37.8
489.63785	5.0
521.18311	5.3
551.19086	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61581	9.2
59.01236	58.4
60.46325	10.6
61.98697	36.6
69.28523	9.7
71.01272	19.6
77.90480	9.5
78.95758	100.0
95.14900	10.0
95.77110	10.6
96.95866	30.7
96.96857	12.5
108.94874	12.2
110.93555	12.3
113.02323	15.3
121.76538	15.1
145.02892	20.3
152.99483	21.1
156.41716	12.3
171.00545	22.3
173.04575	13.3
181.71014	14.9
195.96178	12.8
256.89944	11.7
382.71478	13.4
448.48016	12.7
551.28021	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2289
Annotation	(-)-CP 263,114
Peak:m/z	Relative Intensity
54.88977	1.0
57.03307	2.2
61.98683	1.2
69.03292	1.0
73.48998	1.0
75.91972	1.0
76.83706	1.0
77.42043	1.1
77.61572	1.1
81.03303	2.0
83.01250	2.0
83.05593	1.1
93.03286	2.0
95.01222	2.0
97.02810	3.4
99.08009	1.2
101.82518	1.0
108.02040	1.7
109.02803	14.2
111.04377	5.1
119.04913	1.1
121.02834	3.0
121.06429	1.2
123.00745	5.0
123.04388	3.1
124.01556	7.0
125.02313	26.3
137.02327	10.5
138.03120	8.5
139.03854	14.0
141.53625	1.3
147.04390	2.5
149.02272	2.0
149.05995	1.7
153.01723	1.8
161.02295	1.6
162.03105	2.1
163.00266	1.6
164.01079	4.0
165.01845	8.7
167.03426	9.4
170.57327	1.4
175.03912	2.0
177.01859	7.8
177.05487	4.7
178.02608	1.6
179.03394	2.6
191.03482	2.5
203.03514	2.7
205.01093	1.2
219.06537	9.0
221.04572	7.7
260.06778	1.4
309.18530	1.5
311.09326	2.0
329.17502	1.4
343.05002	1.2
371.18503	8.1
383.18805	6.2
411.18344	6.5
425.19699	7.0
507.24036	8.8
551.22925	100.0
552.23566	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	551.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86221	1.5
57.03303	1.5
59.01242	100.0
61.98698	4.8
62.24474	1.5
65.60736	1.4
69.03310	1.9
71.01240	35.2
71.01598	2.9
71.04873	5.7
72.99145	2.0
73.02804	29.4
73.26289	1.4
73.45235	1.4
75.00732	2.9
81.03329	3.9
83.01244	8.7
83.04879	2.7
85.02814	8.8
87.00723	3.8
89.02290	19.3
92.45370	1.6
96.95871	13.4
97.02821	2.6
97.06458	5.6
99.00739	3.5
99.04366	3.5
101.02306	32.7
113.02306	19.2
115.03876	22.3
116.92757	3.8
119.03344	9.7
120.99524	7.4
123.14839	1.9
125.02329	3.2
143.03387	5.9
147.11626	2.1
149.04453	2.6
150.03101	2.1
155.10663	1.8
161.04463	7.4
162.03143	5.0
165.05453	2.6
166.04988	2.0
173.04501	2.7
179.05540	6.9
180.04237	11.0
195.06564	29.3
198.08588	2.1
203.50879	1.9
209.15477	7.7
235.13422	3.9
242.77191	2.0
250.63963	2.2
253.14447	21.3
258.37408	1.7
262.38229	1.9
271.15488	15.0
295.15576	4.6
317.24216	2.4
335.56317	2.1
370.09558	2.0
406.59607	2.0
407.83765	2.1
415.14154	3.6
415.19772	59.5
431.22305	2.0
433.20938	20.0
475.21768	14.5
493.10114	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06313	0.1
58.99989	1.8
59.01240	100.0
59.02320	1.4
60.01580	0.2
61.98695	1.3
71.04038	0.2
75.82314	0.2
85.02816	0.7
87.00745	0.4
101.05954	0.2
110.11946	0.2
127.08653	0.2
199.11269	0.3
245.11888	0.2
246.12688	0.7
259.09894	0.2
269.11981	0.2
271.13354	2.4
271.15704	0.2
293.15491	0.3
335.20172	0.4
387.19785	0.4
401.21417	0.5
403.22952	0.3
405.20984	0.7
419.22260	0.3
455.22296	0.4
473.23267	2.2
491.24390	5.7
492.25009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73766	0.7
59.01243	100.0
59.02466	1.7
60.46179	0.7
70.84023	0.9
72.56969	0.7
79.89944	0.7
80.20967	0.8
91.73342	1.6
113.05428	0.9
127.32979	1.0
127.73351	0.7
217.12323	1.0
221.08131	1.0
229.12305	2.1
245.11789	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	551.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56149	0.5
58.99893	1.0
59.01242	100.0
59.02443	2.0
61.98727	0.6
63.57618	0.6
73.94836	0.5
136.83322	0.5
217.12302	1.5
229.12379	2.8
244.11047	0.7
245.11829	15.4
363.89209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61154	0.7
55.01758	1.1
59.01242	29.1
69.33617	0.7
71.01229	6.1
72.99187	1.4
73.02824	4.0
74.34121	0.7
83.01266	3.5
85.02834	3.9
87.00741	1.0
89.02336	1.1
96.25162	0.8
99.00760	1.6
100.72765	1.1
101.02315	7.8
113.02362	2.5
126.90276	23.8
127.00272	4.4
127.01143	0.8
127.03902	1.2
128.03441	4.1
158.11960	0.9
215.14423	1.5
215.91414	1.0
243.14043	3.2
247.67270	0.9
287.12888	4.6
303.21979	3.8
349.13126	2.7
367.14011	14.8
420.73242	1.1
423.13043	4.8
447.25946	7.5
465.27017	16.9
507.28098	100.0
508.28894	2.6
579.60950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51700	0.3
55.01746	0.6
57.03307	0.5
58.99981	1.1
59.01242	68.4
59.02331	1.0
59.30454	0.2
61.85069	0.3
63.59626	0.2
71.01238	6.1
73.02814	2.8
83.01244	2.0
85.02804	4.4
85.99959	0.4
87.00749	0.4
89.02303	0.7
89.72077	0.3
95.01269	0.7
97.29176	0.2
99.00720	1.2
101.02301	7.9
101.02956	0.5
111.00758	0.7
112.61420	0.2
113.02302	3.1
129.01813	0.4
129.09109	0.3
135.91441	1.1
143.03354	0.3
159.02975	0.4
161.04446	0.9
194.38950	0.3
243.19695	1.1
271.02573	0.8
282.09265	0.3
299.01959	1.9
314.04358	3.4
329.06650	5.9
330.07242	0.3
387.23840	0.8
403.26868	0.4
405.25052	2.1
447.26035	2.8
465.26923	3.1
489.27084	4.3
507.28094	100.0
508.21140	0.3
508.28384	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	551.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	0.4
57.03294	1.3
59.01244	23.1
60.59516	0.4
61.98676	0.6
69.03308	0.7
71.00874	0.7
71.01238	9.5
71.04867	0.5
72.99168	1.3
73.02809	5.0
78.95751	1.0
83.01229	2.1
85.02805	4.8
85.06465	0.5
85.18523	0.4
85.99953	0.5
87.00720	2.7
87.04392	0.6
88.98656	0.6
89.02301	2.4
91.72673	0.6
93.03289	2.2
95.01228	1.1
96.95879	1.9
97.02791	0.7
99.00731	1.1
99.08021	1.2
99.92455	0.5
101.02303	7.1
107.80663	0.5
111.00739	1.3
111.04394	1.0
113.02312	3.4
116.92705	1.1
119.03357	0.9
121.02819	3.4
121.39619	0.6
121.40354	0.5
124.01521	0.6
125.02303	1.4
128.03424	1.0
129.01796	0.7
129.09085	1.4
135.91489	0.6
137.02353	1.1
143.03398	0.8
161.04375	1.1
173.04453	5.1
175.02292	0.5
175.14795	0.5
191.05469	0.5
194.44090	0.5
246.79425	0.5
253.49771	0.5
285.20752	4.4
286.21057	0.5
301.20297	1.0
303.21805	9.8
315.01486	0.6
327.21805	0.6
345.23044	0.5
429.24854	2.0
444.96881	0.5
447.26022	13.1
448.26117	0.6
465.27045	26.6
466.27426	1.3
491.21530	1.1
507.28104	100.0
508.28491	4.4
510.79001	0.5
551.30817	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.5
57.03304	1.1
59.01241	33.1
59.02402	0.7
62.79246	0.3
71.01237	10.7
72.99151	0.6
73.02802	6.5
75.00730	0.6
80.37107	0.4
83.01238	3.6
85.02798	7.3
85.99941	0.8
87.00739	2.0
89.02285	1.6
91.73016	0.9
95.01237	0.7
95.05841	0.4
96.95858	0.4
97.02792	0.9
99.00724	1.6
99.08006	1.2
101.02302	10.8
111.00739	1.1
113.02299	4.4
115.03851	0.8
117.03380	0.3
119.03333	0.5
124.01482	0.5
125.02304	0.8
127.11161	0.5
128.03413	0.4
129.01871	0.4
129.09119	1.9
135.91496	0.9
143.03410	0.5
143.10655	0.4
145.02834	1.2
155.10625	0.8
159.02878	0.4
161.04431	0.9
168.09294	0.4
234.67789	0.4
237.18590	0.5
257.21155	0.5
266.46576	0.4
285.20691	5.2
303.21762	3.6
306.07675	0.7
307.07822	0.6
327.21698	0.4
429.24866	3.7
447.26019	18.2
448.26425	1.0
463.25580	0.5
465.27054	11.2
466.27344	0.8
489.26834	0.7
507.28094	100.0
508.28433	7.3
551.24744	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14857	23.1
55.03516	21.0
59.88121	24.6
61.98688	94.9
63.76324	24.6
71.01244	27.1
88.26150	29.2
96.95866	66.5
109.44006	27.5
137.02223	30.3
145.56462	28.9
151.00214	43.0
182.86938	34.8
292.05786	33.9
439.28433	43.6
467.28339	52.4
504.04077	36.7
551.27997	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	27.2
61.98690	100.0
62.99178	13.8
72.73589	15.3
85.41965	15.5
85.89037	15.8
96.95871	68.6
109.02843	20.7
133.02809	55.3
134.16653	17.0
160.05090	22.1
187.99074	20.0
199.51894	18.4
217.12312	18.3
238.48073	18.2
250.62418	18.3
301.57672	25.6
319.03052	23.1
439.28317	25.5
467.28073	54.3
551.27997	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49978	15.7
59.01240	40.9
61.98694	53.2
91.73373	21.3
94.33343	19.7
100.40250	17.9
107.53965	17.5
118.31351	17.6
125.91648	19.1
129.21100	20.9
186.04332	23.4
245.11803	86.7
255.90915	30.4
279.23233	100.0
292.61450	25.4
335.60013	24.6
342.03339	22.3
347.45123	25.5
393.61642	24.9
551.29822	52.1
575.12054	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	551.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41853	32.4
59.01221	37.3
67.24902	35.0
67.44073	27.5
71.38531	32.5
78.95770	100.0
94.92368	77.0
99.00610	36.2
115.94277	30.7
118.86547	35.2
134.35403	39.0
134.85909	43.0
152.99455	82.8
166.86591	36.8
175.44504	44.4
210.94179	57.6
227.16887	41.8
279.23291	75.5
347.34467	39.8
469.28107	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69751	9.8
59.01236	41.6
61.98687	20.2
70.42618	13.0
70.58313	9.9
72.17493	10.1
84.84438	11.4
125.45673	11.5
140.94946	13.0
154.92162	11.7
190.78821	15.8
217.12241	23.3
245.11809	100.0
262.01633	13.3
531.22644	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	551.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	13.5
61.87312	0.8
71.01240	2.4
74.97565	0.8
78.70032	1.1
78.95781	1.4
89.02295	2.3
92.92663	1.0
101.02312	2.9
112.01791	0.8
113.02341	1.2
114.03272	0.9
161.04433	2.2
207.00272	1.0
235.08224	1.9
253.09277	10.9
255.23296	100.0
256.23611	1.7
292.02795	1.2
300.26688	0.9
390.27341	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24787	0.3
57.25104	0.3
61.97329	1.5
61.98692	100.0
61.99870	1.7
69.35314	0.3
70.73990	0.3
78.95792	0.4
81.82345	0.3
82.12199	0.4
127.48591	0.3
128.11060	0.3
245.11758	1.1
246.12291	0.4
314.92178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.1
61.97354	1.8
61.98693	100.0
61.99854	1.5
75.93562	0.1
92.16375	0.1
128.75609	0.2
130.68336	0.1
173.05940	0.2
201.05539	0.7
244.11023	7.2
245.11757	0.4
246.12079	0.2
278.93176	0.2
308.75122	0.2
314.14893	0.1
344.36172	0.1
411.23517	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	552.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39770	0.3
54.41566	0.4
57.61893	0.3
59.01222	1.5
61.98679	0.5
78.95763	5.7
91.25676	1.0
91.26254	0.8
95.57802	0.4
96.95858	0.6
120.91060	0.4
127.07485	0.4
145.02814	0.4
146.93048	0.4
152.99474	1.1
168.04228	1.5
175.41823	0.6
175.43146	0.4
204.05374	0.4
224.06905	1.2
233.22699	0.5
242.07925	3.2
277.21735	100.0
278.22043	1.5
388.05450	0.4
502.29443	41.4
503.29895	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10227	0.2
52.29807	0.2
54.31436	0.2
54.39937	0.2
54.41548	0.3
58.13922	0.2
59.01240	3.2
71.01244	0.3
78.95760	21.8
78.97585	0.3
83.04873	0.3
91.25670	0.8
91.26255	0.5
96.95863	0.6
96.96838	0.3
100.55130	0.3
122.98357	0.4
127.07552	0.2
129.68442	0.2
152.15797	0.3
152.99474	3.6
168.04231	4.2
175.41693	0.3
205.96548	0.3
224.04688	0.5
224.06876	10.5
233.22804	0.6
234.89389	0.3
242.07954	3.0
253.21715	10.8
259.20706	0.6
275.20081	0.6
277.21732	100.0
278.22043	2.3
363.10013	0.3
458.25171	0.3
478.29526	3.6
502.29428	84.0
503.29987	1.6
507.96298	0.4
513.15308	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59703	0.4
53.70858	0.4
55.63993	0.5
55.69436	0.4
59.01243	16.7
61.98722	0.4
65.34998	0.4
65.45919	0.5
78.95762	13.7
84.23330	0.5
84.83817	1.4
87.91033	0.4
94.62920	0.4
96.95883	4.0
114.50709	0.5
119.04954	0.6
145.02841	0.9
152.99486	3.1
156.40208	0.7
168.04218	2.5
224.06908	8.2
242.07979	1.5
253.21718	100.0
254.22105	1.5
289.52451	0.5
295.79709	0.6
478.29419	67.0
479.29712	1.1
534.76135	0.5
546.34753	0.5
553.27094	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74614	0.5
59.01244	12.9
59.04912	0.4
61.77520	0.5
61.98671	0.5
66.20089	0.6
67.84486	0.6
70.41242	0.5
70.43211	0.5
78.95757	10.1
84.83900	0.8
96.95866	5.4
117.80742	0.6
145.02859	1.1
152.99475	2.0
168.04204	2.3
180.78287	0.7
224.06816	4.3
242.07994	2.9
253.21724	100.0
254.22054	1.2
277.21735	22.8
409.64554	0.7
478.29388	31.9
502.29437	21.7
503.30017	0.9
521.57098	0.6
521.66205	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1145
Annotation	Lanceolatin B
Peak:m/z	Relative Intensity
57.03280	0.5
59.01242	1.0
59.76133	0.5
61.98688	3.5
64.95647	0.4
65.00171	1.5
75.00677	0.6
83.01241	1.2
93.03316	1.7
96.95847	0.5
107.01237	1.4
117.03335	13.4
122.31438	0.5
125.02316	2.1
132.61406	0.6
137.27347	0.5
151.00262	1.5
151.66573	0.5
186.32947	0.5
188.96249	0.7
207.04462	1.6
216.35133	0.5
222.03186	0.6
223.03961	1.0
224.04744	5.5
225.05580	0.7
228.40565	0.5
231.04362	0.5
232.75038	0.6
239.07109	0.8
244.05470	0.6
245.06073	1.2
248.04694	0.8
249.05563	2.5
249.28625	0.5
251.03490	6.0
261.05597	1.0
262.06427	1.2
263.07156	0.9
265.05130	0.8
266.05756	1.5
269.04227	0.5
273.05560	1.4
275.03629	2.5
281.08096	0.7
287.07159	2.0
289.05035	4.0
290.05731	2.5
291.03088	0.6
292.04041	0.7
293.04584	2.3
303.06671	1.2
305.08228	1.5
315.06586	3.5
317.04688	3.4
329.08112	0.8
331.06119	3.1
332.06921	5.7
335.05820	0.6
343.06088	0.6
347.09448	3.7
357.07422	0.8
359.05646	7.1
367.05908	2.7
369.07703	10.8
371.09271	0.9
382.08554	1.5
389.10461	1.3
393.07721	6.1
401.10361	4.1
406.08142	1.3
407.09186	3.8
409.07251	0.8
410.07932	1.0
411.08743	3.2
415.08051	0.9
425.10275	4.6
433.10806	1.9
435.08759	13.5
437.06631	1.8
439.11981	0.9
443.11542	1.7
449.10492	1.2
451.08429	1.2
453.09824	1.2
467.11346	10.6
469.09308	3.4
477.09781	22.4
478.10007	1.0
485.12399	2.1
487.10419	1.2
509.12479	32.1
521.08411	0.7
553.11462	100.0
554.11493	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	553.1144
Annotation	Lanceolatin B
Peak:m/z	Relative Intensity
50.31694	0.4
57.03305	1.0
57.58941	0.3
59.37768	0.2
61.98663	0.3
62.02275	0.2
63.55139	0.3
65.00179	1.9
73.56499	0.6
75.55133	0.2
78.95759	0.3
83.01234	1.0
107.01250	2.2
108.02013	0.5
112.45631	0.2
125.01465	0.4
125.02321	5.9
125.03229	0.3
127.05403	2.0
128.84232	0.2
130.04134	0.4
134.03592	0.7
145.02870	0.4
149.05989	2.1
151.00264	8.7
151.01498	0.4
151.03851	0.4
155.04959	1.2
157.06482	4.1
158.03621	2.9
160.01563	0.8
169.01311	0.3
173.05995	8.1
175.03914	2.3
179.04962	1.4
180.05736	1.1
180.99580	0.4
181.06503	35.6
182.06870	0.7
183.04434	6.8
205.06531	0.4
207.04457	2.1
217.05005	3.8
223.04008	2.3
223.07617	0.3
224.04617	0.8
225.05533	100.0
225.13991	0.9
226.05840	2.6
247.07639	0.3
249.05624	3.1
251.03491	22.4
252.03853	0.7
263.07263	0.3
265.97400	0.2
275.03403	0.3
291.06604	0.7
293.04510	0.4
298.24088	0.3
315.10086	0.3
333.07626	1.4
333.11374	0.8
357.11343	1.2
359.05392	0.3
369.07742	0.7
377.06625	1.8
386.08313	0.3
401.10324	65.8
402.10712	2.2
427.08249	27.8
428.08572	1.0
553.11450	19.2
554.11658	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1567
Annotation	Arillanin G
Peak:m/z	Relative Intensity
51.95492	0.4
56.81374	0.9
58.00443	0.6
59.01244	0.8
62.94659	0.2
64.11207	0.3
68.99672	1.9
71.01234	1.4
72.99163	29.6
73.00861	0.5
73.02800	3.7
73.99480	0.4
75.00739	2.4
80.41248	0.3
81.03313	0.8
85.02790	1.5
87.00727	2.8
93.03331	1.7
95.01210	0.5
95.04903	0.4
95.11814	0.3
99.00726	1.1
103.00225	0.6
107.04887	0.6
108.02026	57.3
108.05064	0.6
109.02828	11.8
110.61494	0.3
113.69616	0.3
118.13034	0.4
118.66332	0.3
119.04886	9.8
121.02813	2.6
121.06469	0.5
122.03614	0.8
123.01099	1.0
123.04380	100.0
123.08174	1.2
123.62845	0.3
124.04720	1.5
125.02347	0.3
131.04857	0.3
133.02774	0.4
133.06453	1.2
134.03610	2.1
135.04349	0.7
136.01546	4.2
137.02328	0.8
138.03052	0.5
143.04912	0.7
145.02812	2.6
146.03648	0.4
147.04405	5.7
149.00967	0.3
149.02245	0.4
149.05975	3.2
150.03067	1.5
151.03891	8.2
159.04466	1.9
161.05965	8.2
162.03157	0.7
163.03917	0.5
165.05458	6.7
167.03304	0.5
175.03880	1.1
177.05475	36.8
178.02625	1.1
178.05800	0.8
179.07022	0.6
180.04149	0.5
187.03915	1.3
193.04955	3.8
195.04919	0.3
195.06609	1.5
205.05066	0.8
207.06592	0.4
209.08119	5.4
211.06070	2.9
214.06253	0.5
219.06598	0.6
221.08125	0.9
226.06223	1.4
227.07088	1.7
228.07814	0.4
229.08687	5.5
237.04002	0.5
239.09218	1.8
241.08711	1.3
243.10233	10.0
244.10652	0.4
266.24512	0.3
269.08142	1.7
271.09723	3.2
285.11301	4.0
287.09247	0.7
301.10825	27.0
302.11230	0.8
315.08762	1.5
317.10303	2.6
329.10202	2.5
343.11960	0.6
347.11349	1.2
391.09973	2.3
391.14575	0.4
440.73370	0.8
463.15973	3.0
477.13943	6.0
479.15652	1.2
491.15543	1.8
509.16519	0.4
535.14441	0.6
553.15649	99.2
554.15875	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	553.1568
Annotation	Arillanin G
Peak:m/z	Relative Intensity
51.95499	1.0
57.84402	0.8
58.00448	2.4
59.01245	7.8
59.53509	0.7
59.72809	0.7
61.16068	0.8
66.28991	0.7
71.01234	2.9
72.99164	21.6
73.02792	1.4
75.00727	3.0
76.79625	0.7
84.12287	0.8
85.02808	1.9
87.00729	3.4
88.98652	2.0
89.02287	2.7
93.03308	2.1
96.95880	2.0
99.00739	1.4
101.02290	3.4
103.00286	0.9
107.04883	2.2
108.02029	37.9
109.02805	10.2
113.02298	1.5
113.65368	0.8
117.19231	0.9
119.03401	1.5
119.04871	1.5
121.02818	2.9
123.04359	1.8
125.02364	1.3
127.45985	0.7
135.04372	1.9
143.91032	0.9
146.03581	1.9
147.04424	3.9
149.06001	2.3
159.04515	1.0
161.04501	1.2
162.68736	0.8
165.05467	28.8
166.05821	1.1
168.24295	0.8
175.56113	1.0
177.05463	1.6
179.05415	0.9
179.08687	0.9
193.05035	2.7
201.55164	0.9
209.04424	2.2
211.03850	1.2
213.05553	1.2
214.06331	3.3
226.06339	23.7
227.07063	8.0
228.07912	13.5
229.05093	1.7
229.08661	14.0
237.04057	1.5
241.08685	28.9
242.09195	1.5
243.06569	4.8
243.10240	24.9
255.06659	1.5
256.07385	2.9
268.07520	1.2
269.08179	3.6
271.06512	1.6
271.09744	15.1
285.08154	1.7
285.11270	7.6
286.08539	1.2
299.09372	1.8
301.10806	46.0
302.11288	1.5
311.09155	1.0
315.08765	2.9
317.10306	7.7
329.10123	1.4
345.15601	1.4
346.80096	1.0
367.88483	1.0
391.10281	2.3
463.16013	6.8
477.14230	4.9
479.15240	2.1
491.15591	1.1
493.22913	8.0
535.15045	1.2
553.15680	100.0
554.16022	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	553.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95499	1.0
57.84402	0.8
58.00448	2.4
59.01245	7.8
59.53509	0.7
59.72809	0.7
61.16068	0.8
66.28991	0.7
71.01234	2.9
72.99164	21.6
73.02792	1.4
75.00727	3.0
76.79625	0.7
84.12287	0.8
85.02808	1.9
87.00729	3.4
88.98652	2.0
89.02287	2.7
93.03308	2.1
96.95880	2.0
99.00739	1.4
101.02290	3.4
103.00286	0.9
107.04883	2.2
108.02029	37.9
109.02805	10.2
113.02298	1.5
113.65368	0.8
117.19231	0.9
119.03401	1.5
119.04871	1.5
121.02818	2.9
123.04359	1.8
125.02364	1.3
127.45985	0.7
135.04372	1.9
143.91032	0.9
146.03581	1.9
147.04424	3.9
149.06001	2.3
159.04515	1.0
161.04501	1.2
162.68736	0.8
165.05467	28.8
166.05821	1.1
168.24295	0.8
175.56113	1.0
177.05463	1.6
179.05415	0.9
179.08687	0.9
193.05035	2.7
201.55164	0.9
209.04424	2.2
211.03850	1.2
213.05553	1.2
214.06331	3.3
226.06339	23.7
227.07063	8.0
228.07912	13.5
229.05093	1.7
229.08661	14.0
237.04057	1.5
241.08685	28.9
242.09195	1.5
243.06569	4.8
243.10240	24.9
255.06659	1.5
256.07385	2.9
268.07520	1.2
269.08179	3.6
271.06512	1.6
271.09744	15.1
285.08154	1.7
285.11270	7.6
286.08539	1.2
299.09372	1.8
301.10806	46.0
302.11288	1.5
311.09155	1.0
315.08765	2.9
317.10306	7.7
329.10123	1.4
345.15601	1.4
346.80096	1.0
367.88483	1.0
391.10281	2.3
463.16013	6.8
477.14230	4.9
479.15240	2.1
491.15591	1.1
493.22913	8.0
535.15045	1.2
553.15680	100.0
554.16022	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	553.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83566	0.3
57.03305	0.9
57.37869	0.3
58.00449	0.6
59.01245	2.8
59.78382	0.3
71.01244	3.4
72.99149	1.4
73.02802	5.2
83.01253	0.6
85.02803	10.3
87.00748	0.5
89.02296	2.2
93.03321	1.3
96.95868	7.8
99.00729	0.4
101.02304	2.6
107.04906	0.4
108.02021	1.1
108.23475	0.3
109.02805	0.4
112.22493	0.3
112.53926	0.4
113.02285	1.3
119.03340	1.0
119.04872	0.4
121.02789	2.8
122.03597	2.4
123.04337	0.6
125.02277	0.6
134.03609	4.0
135.04352	1.3
136.01537	20.9
137.02255	0.6
137.05920	0.4
138.03084	0.7
146.03603	2.2
149.01176	0.7
149.02325	11.5
149.05968	1.5
150.03114	15.5
151.03899	27.6
152.04272	0.5
153.01790	0.5
153.05440	0.7
161.02351	0.5
161.04437	1.3
161.05766	0.4
162.03099	1.1
163.03883	2.1
164.04691	10.4
165.05470	15.7
177.01862	2.4
178.02628	22.5
179.05521	1.4
179.07053	3.0
192.04155	2.0
193.04988	100.0
194.05275	2.0
201.85703	0.4
207.06531	1.9
209.08124	5.7
211.06064	5.6
221.08177	4.9
239.09225	2.1
256.73941	0.4
256.77728	0.4
343.11838	2.4
355.10349	7.5
373.11377	0.4
409.17917	0.4
493.23077	4.8
505.17023	0.9
553.10242	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
61.65752	1.1
65.41547	1.3
68.99672	16.1
72.99144	3.1
73.42552	0.9
81.03285	1.9
85.02808	5.5
93.03313	3.2
95.01244	2.1
96.95853	1.3
97.02795	1.5
101.02284	1.5
101.05926	1.3
105.01796	2.1
107.01244	2.2
108.02026	49.3
109.02821	13.2
113.02314	5.4
117.03364	3.2
121.02834	13.7
122.03597	13.5
123.00755	13.1
123.04383	39.0
124.01517	1.9
124.04694	1.6
125.02280	9.0
128.03426	2.5
128.90015	8.9
129.01814	10.3
132.02029	9.5
133.02831	6.1
134.03590	3.2
135.04387	6.9
136.01503	7.5
136.05170	1.5
137.02307	4.4
138.03102	14.0
145.02863	2.0
145.04930	4.4
145.05992	1.4
147.04381	11.8
148.01553	5.2
149.02333	20.0
149.05980	2.4
150.03107	64.2
151.03906	10.1
152.01099	1.4
153.01855	1.3
153.05458	4.5
158.03641	2.2
159.04428	6.7
160.01518	1.7
160.05185	16.4
161.02333	18.3
161.05948	8.4
162.03117	46.8
163.03893	23.8
164.01044	1.7
164.04662	8.7
165.01814	2.7
165.05466	34.4
167.03412	2.0
173.05971	3.7
175.03908	5.3
175.07529	10.5
176.04691	3.9
177.01868	2.4
177.05479	68.3
178.02634	68.2
178.06180	8.7
179.03375	8.3
180.04166	5.9
190.06279	3.5
192.07867	2.8
193.04985	79.0
194.05753	5.9
195.06567	20.0
225.86609	1.2
239.20462	1.3
259.92880	1.3
299.09247	1.6
329.10477	2.2
329.13907	13.8
357.13568	6.3
367.14032	10.5
368.14386	7.6
369.13437	5.1
381.13336	6.2
424.13452	1.7
475.17633	2.9
490.16409	1.7
493.18753	28.5
505.18762	43.1
506.18857	2.5
523.19727	100.0
524.19904	4.6
553.20856	97.4
554.21204	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	553.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71586	1.1
56.97893	1.1
57.03289	1.1
59.01233	3.6
60.53469	1.0
68.99667	1.9
69.03316	1.4
72.99174	1.6
85.02795	1.2
93.03323	4.1
96.95860	4.5
98.95441	1.7
105.01780	2.6
108.02050	10.9
109.02831	5.0
111.04380	1.3
113.02269	1.3
121.02802	6.7
122.03594	14.3
123.00729	1.8
123.04372	8.0
124.01505	1.6
125.02310	6.7
128.90016	1.8
129.01854	1.5
133.02843	2.4
134.03557	1.8
135.04381	3.0
136.01532	11.6
137.02316	3.8
138.03101	2.7
139.03912	2.7
145.04924	1.6
147.04393	2.3
149.02342	16.2
150.03113	93.3
151.03915	15.1
160.05211	2.7
161.02364	1.6
162.03110	5.7
163.03931	2.5
164.04706	3.5
165.01859	2.9
165.05472	100.0
165.11339	1.2
166.05962	1.7
167.03468	1.7
175.03917	4.2
175.07549	1.3
177.01839	1.2
177.05502	8.3
178.02637	9.2
179.03404	3.2
180.04216	7.0
190.06258	2.5
193.05022	12.2
195.06558	59.7
221.08112	2.1
240.33954	1.4
241.54506	1.4
281.04471	1.9
299.08981	1.8
309.03964	3.7
327.12274	3.1
329.13989	3.2
337.22220	1.5
357.13678	9.9
402.97955	1.6
446.09628	5.3
475.17688	2.2
505.18555	12.1
523.19751	3.1
553.20642	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05071	2.3
51.46761	2.0
56.36180	2.0
57.03321	5.0
59.01242	20.7
61.98690	17.4
64.92336	2.4
73.02802	4.5
89.02321	2.7
93.03314	4.8
96.95882	5.1
99.04383	6.4
100.90141	2.9
107.04890	9.4
108.02077	6.9
109.02842	8.8
119.57956	2.4
121.02823	15.0
122.03581	3.4
123.00780	2.9
123.04411	5.1
124.01527	6.5
125.02318	7.7
130.04071	3.0
133.02800	3.4
134.03609	38.4
135.04402	58.1
135.05435	2.9
136.01515	4.0
136.05190	8.2
137.02345	6.5
138.94664	3.4
139.03922	4.1
145.02861	10.5
146.03630	76.5
147.04395	10.3
149.02402	4.3
149.05968	15.7
150.03165	6.6
151.03906	9.3
152.01047	4.6
153.01859	6.9
161.05972	22.7
162.03128	4.3
163.03934	15.5
164.04706	46.1
165.01791	6.0
165.05460	19.0
166.02547	7.1
167.03464	5.0
174.03178	4.2
175.03938	12.8
176.04683	11.4
177.01903	5.8
177.05492	19.3
178.02693	9.7
179.03465	9.1
179.07043	99.3
180.04214	4.3
181.04942	6.5
189.05466	5.7
191.03470	8.2
191.07129	10.5
192.04211	23.4
193.04984	39.5
194.05777	11.1
195.06587	39.5
201.58395	3.2
206.05891	4.6
207.06573	47.3
208.07356	9.5
209.08189	7.2
237.07704	6.1
267.06573	3.8
268.07401	3.5
283.09476	4.1
293.82718	3.5
297.07837	3.8
313.10831	9.8
325.10651	4.9
327.12509	5.7
328.09680	6.1
343.11917	11.8
345.13422	8.2
357.13641	5.3
373.12952	100.0
386.24039	3.0
505.18579	23.0
523.19720	20.4
535.19702	29.1
553.20874	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	553.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71270	12.2
59.01247	71.9
61.98687	39.6
64.69408	11.2
71.01248	21.1
73.44775	10.7
74.46223	10.8
75.85895	9.9
76.11218	9.9
76.56194	10.7
85.02805	14.8
87.60863	12.4
96.95897	30.6
101.02271	17.9
113.02335	16.4
114.79575	13.5
169.08586	23.1
209.08264	19.9
211.50792	16.4
253.09468	31.7
269.95160	14.2
281.17667	59.1
287.12744	14.2
347.22104	27.2
391.21356	33.8
517.26538	30.9
553.24500	100.0
578.11151	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	553.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81031	2.6
59.01241	100.0
61.98682	11.4
71.01242	21.4
73.02821	7.7
74.48399	2.6
83.01257	5.4
85.02817	11.9
89.02293	5.5
99.00742	3.5
101.02319	14.9
113.02313	11.7
122.03769	3.2
125.02319	5.8
161.04518	4.6
284.03268	5.7
289.16599	9.0
391.21390	6.5
433.20883	33.1
433.28027	19.9
451.21817	29.3
451.29260	11.7
467.27582	5.2
508.28052	7.5
509.28839	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	29.9
61.98690	58.6
82.94373	19.8
82.95247	19.1
90.11961	21.1
125.14606	21.8
161.37260	19.7
163.03735	22.9
163.53720	19.1
166.37189	22.8
209.25459	21.0
219.05363	23.6
292.03555	20.4
396.11664	24.3
504.83539	24.6
517.28314	42.2
553.26123	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82489	6.1
59.01239	24.5
61.48442	7.1
61.50350	6.8
61.98697	100.0
79.03159	7.6
80.67033	7.1
94.10773	9.1
100.87389	7.5
138.69775	9.5
213.89828	24.3
217.12357	11.9
352.42950	11.1
377.58984	10.6
491.24005	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	553.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42503	6.9
56.37745	7.4
57.31560	7.0
59.01245	18.7
61.98691	100.0
76.95458	9.6
86.47244	8.5
90.44357	9.3
147.04564	9.6
245.11932	13.7
283.64771	10.6
303.02881	10.2
391.87320	11.0
427.90833	13.4
559.85211	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	554.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88599	0.2
53.30354	0.2
54.86979	0.3
56.60225	0.2
59.01232	0.8
61.98703	1.3
78.95765	5.2
88.24181	0.3
91.79410	0.3
91.79919	0.3
152.99463	1.0
168.04245	1.3
168.21353	0.2
224.06924	1.1
242.07881	2.4
261.22195	0.7
279.23303	100.0
280.23645	2.5
328.51660	0.3
363.67728	0.3
504.31006	31.2
505.31454	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	1.9
60.92111	0.7
61.98683	2.9
78.95760	16.7
91.79379	1.1
135.73802	0.6
152.99452	3.2
168.04256	4.2
189.16968	0.8
224.06914	7.7
242.08028	1.1
275.55191	0.8
279.23300	100.0
280.23596	2.7
459.60336	1.0
504.31009	69.9
505.31116	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	554.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	17.5
59.02413	0.2
71.01246	0.3
72.49716	0.2
78.95763	14.4
78.97584	0.2
80.96375	2.5
84.19498	0.2
85.37955	0.7
91.73371	0.2
94.97939	0.3
96.96788	0.3
102.84439	0.2
122.98399	0.4
139.24678	0.2
139.62025	0.2
148.99045	0.2
149.77686	0.2
152.98521	0.3
152.99503	2.7
157.98383	0.2
164.98502	0.3
168.04196	2.9
169.23811	0.2
224.06895	7.8
225.00706	0.9
242.07962	1.9
255.23299	100.0
255.33609	1.1
256.23654	1.7
390.32635	0.3
480.30984	66.8
481.31082	1.6
555.28534	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	555.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68483	0.4
57.95724	0.4
58.99731	0.4
59.01231	0.7
67.53803	0.3
71.01223	0.6
74.99226	2.2
75.82352	0.4
82.99754	0.6
85.02812	0.6
87.00719	3.2
87.19717	0.4
90.31251	0.4
98.99252	2.1
101.00793	2.1
102.98731	2.4
109.98398	0.4
111.00742	2.3
113.00822	0.6
115.02383	1.2
117.00326	0.9
125.00023	0.3
125.00822	9.0
126.98750	57.9
127.98878	1.5
129.00304	0.8
138.01134	0.4
138.97495	0.5
141.00354	3.4
141.97473	2.6
143.01859	1.5
144.99820	7.7
151.12842	0.4
153.00345	0.9
168.99837	100.0
169.99945	2.8
172.17458	0.5
173.23242	0.5
179.05640	0.6
180.99850	3.0
182.68109	0.4
183.01436	1.5
184.37939	0.5
187.00905	1.7
191.01942	2.1
191.05402	0.6
194.97694	0.5
195.01443	2.6
199.01048	0.6
201.02408	0.5
204.99933	0.5
211.00945	1.8
212.98654	2.7
215.45465	0.4
223.00961	0.7
229.01988	3.5
230.99945	26.1
235.90343	0.6
236.98822	0.5
241.01868	0.6
242.95518	1.2
243.03610	5.1
254.99989	2.0
259.16837	0.5
271.03210	1.0
273.01044	21.4
274.01044	0.5
285.00961	2.1
289.04153	0.9
303.02115	12.6
303.05338	0.6
312.98996	0.5
315.02261	0.7
333.03159	5.2
357.03088	1.2
363.07797	1.7
375.04065	1.7
393.05295	2.7
451.09503	5.1
468.84839	0.5
493.10443	0.9
519.08063	0.6
555.10468	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	555.139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.9
60.20063	0.1
61.04282	0.1
63.47807	0.1
66.19096	0.1
67.16615	0.1
69.25835	0.1
70.25791	0.1
71.01221	0.2
78.95760	2.1
79.95593	2.3
87.43919	0.1
96.93141	1.1
96.95871	100.0
96.96751	4.0
96.98351	1.4
101.02322	0.1
109.02819	0.2
123.00741	0.1
125.02309	0.4
135.04404	0.2
137.02202	0.1
139.03880	0.1
147.04442	0.2
165.05515	0.7
167.03467	0.2
171.28288	0.1
177.01787	0.1
179.03433	0.2
209.90424	0.1
368.52130	0.2
555.22668	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46602	0.1
56.25084	0.1
57.03300	0.1
59.01240	0.2
61.98701	0.1
63.45983	0.1
67.53912	0.1
78.95755	1.4
79.95161	0.2
79.95592	2.1
89.09171	0.1
93.03348	0.2
96.93400	1.5
96.95869	100.0
96.96863	3.4
97.02822	0.2
101.62181	0.1
109.02820	0.2
111.04414	0.1
116.91930	0.1
125.02321	0.6
133.01250	0.2
135.04401	0.3
137.02283	0.3
139.03905	0.3
149.02347	0.2
164.04558	0.1
165.01869	0.3
165.05457	0.2
167.03310	0.2
177.01906	0.3
177.05449	0.2
178.02725	0.1
179.03432	0.2
194.94444	0.1
195.06631	0.2
209.90352	0.2
219.06561	0.2
221.04620	0.3
224.92763	0.2
241.87344	0.1
555.22485	2.0
564.62457	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	555.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	8.4
59.01241	7.9
81.03283	3.0
82.95245	2.6
83.01242	4.9
85.27085	1.2
88.98635	1.3
89.02267	2.0
93.03323	2.5
95.01228	1.6
96.95875	12.9
101.02345	1.5
102.29833	1.3
108.02026	2.5
108.23803	1.4
109.02799	15.0
111.04375	4.5
113.53371	1.5
121.02824	2.4
123.00739	4.2
123.04379	1.8
124.01562	7.4
124.37243	1.3
125.02312	71.7
133.02826	2.6
135.04402	12.9
136.01559	4.0
137.02315	14.3
138.03110	3.5
139.03889	12.8
146.03717	1.7
147.04413	2.4
149.02301	4.2
149.06012	1.6
149.39671	1.5
150.03174	1.6
151.03932	9.4
153.01875	2.3
155.03354	1.7
159.04407	3.0
161.06015	1.8
163.00258	4.5
164.01047	10.6
165.01846	11.6
165.05475	5.9
166.02600	19.8
167.03389	9.3
175.04004	1.8
176.01120	2.8
177.01825	17.0
179.03416	10.5
188.69351	1.8
191.03404	4.2
201.09123	1.6
203.03482	2.5
219.13904	2.7
225.05685	1.9
229.12314	1.8
245.04424	2.8
247.13480	2.0
271.09824	1.5
271.13351	1.7
273.11307	3.6
285.15085	2.7
287.12842	2.4
289.14603	2.2
294.35815	1.6
297.11337	1.6
300.10010	3.8
313.10815	2.5
315.12268	9.3
315.19687	1.7
329.13913	7.9
331.15344	2.0
333.20694	9.4
353.13968	2.0
357.13504	11.5
371.14847	2.3
387.18201	19.3
389.19827	8.9
411.18195	4.6
415.17523	11.0
416.18365	3.9
417.19373	3.5
429.19345	7.2
451.20920	1.8
452.77145	2.1
453.19257	2.2
454.19931	1.8
471.20200	4.2
497.18390	4.4
511.23288	6.2
537.21539	4.9
541.06940	1.7
555.22430	100.0
556.23010	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	555.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42637	0.9
57.03300	1.3
59.01228	3.7
61.71272	0.9
61.98676	0.9
66.68610	0.8
69.03291	0.9
71.01241	1.2
72.99177	0.8
73.02800	3.7
78.95760	2.0
79.95593	1.8
83.01257	1.0
85.02776	1.2
88.98658	1.7
95.04946	1.0
96.93464	1.6
96.95866	86.6
96.96851	3.7
96.98516	1.1
97.02782	2.2
107.04900	1.3
108.02002	4.8
109.02808	11.8
111.04375	1.4
113.00523	1.0
113.01185	1.0
121.02796	2.2
121.06499	1.2
123.00744	2.1
123.04377	3.5
124.01474	1.5
125.02303	8.7
135.04391	1.7
135.41312	0.9
137.02307	4.0
137.48114	1.0
138.03087	1.2
139.03889	4.3
147.04449	1.3
149.02351	1.6
149.06000	2.1
150.58873	1.0
151.03931	1.5
152.01024	1.1
159.04404	2.3
160.26039	0.9
161.02321	2.0
162.03038	1.0
165.01849	2.8
165.05461	4.9
167.03439	2.1
170.42181	1.1
171.04404	3.1
173.05980	1.1
175.03903	5.2
177.01855	4.1
177.05438	2.6
179.03412	1.4
181.04852	0.9
185.06046	1.0
187.03972	2.2
188.04697	4.1
189.05470	15.0
193.04988	1.9
197.06020	1.3
199.03952	1.3
201.05501	3.0
203.03209	1.4
203.07066	10.9
207.06593	1.2
213.05588	1.6
215.03438	1.3
215.89566	1.5
219.06630	2.7
221.04454	4.6
225.05524	3.1
228.04131	1.3
240.04277	3.0
241.05008	18.3
241.58923	1.1
242.05811	5.2
243.06631	2.9
250.06294	1.2
251.07141	3.5
255.06654	6.0
256.07407	22.8
257.08179	16.1
258.08685	1.0
261.05609	1.2
265.08728	1.3
266.05734	1.0
266.09503	2.3
267.06723	1.4
268.07666	1.2
269.08234	2.0
270.08972	2.0
271.09747	13.3
279.06607	10.1
281.08151	1.4
283.09769	1.7
286.13052	1.4
293.08157	4.4
294.09055	17.8
295.09717	2.1
296.06879	1.4
297.07721	8.9
301.10992	1.8
308.10495	2.3
309.11322	16.4
310.08362	1.3
311.09229	7.7
312.10022	10.2
315.08743	2.8
317.15887	1.0
319.15613	1.3
323.09473	1.2
323.12860	2.5
324.10025	1.6
325.10773	2.2
326.11737	2.5
327.12421	23.4
328.12656	1.2
329.10254	1.6
329.13940	1.0
337.53259	1.1
339.12448	7.6
341.13962	5.6
342.10992	1.9
345.09830	8.5
353.13733	2.8
357.13571	6.9
359.11389	2.4
360.12180	27.9
361.12573	1.6
371.15045	2.5
374.13730	10.0
375.14484	100.0
376.14844	2.8
389.16101	50.2
390.16580	1.5
401.16498	1.4
415.17493	2.9
495.25873	1.6
497.18112	2.7
507.19965	6.5
537.21259	4.1
555.22400	87.0
556.22931	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	555.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13597	0.4
51.86825	0.4
57.77060	0.4
59.01231	1.5
60.11529	0.4
61.59244	0.9
61.59503	0.5
61.98672	1.2
65.44160	0.8
65.44467	0.5
67.01685	0.5
67.97005	0.4
73.64333	0.4
78.54913	0.5
80.91532	0.6
91.05386	0.8
93.03316	1.9
95.04911	0.6
96.95853	2.3
98.22631	0.8
105.03308	0.8
108.02052	0.7
109.02789	0.9
119.04884	0.7
121.02821	6.3
122.03609	7.5
123.00754	1.5
123.04366	2.0
124.01524	0.9
125.02322	1.5
132.02037	2.2
133.02821	8.5
134.03610	2.8
135.04364	1.7
136.01538	1.8
136.05156	0.8
137.02293	1.2
145.02861	0.6
145.06445	0.8
146.03593	1.3
147.03250	0.6
147.04414	15.3
148.05206	2.7
149.02336	23.8
149.05960	6.0
150.03119	62.1
151.03883	2.7
154.02609	0.7
158.03610	3.8
159.04417	5.3
160.05199	13.8
161.02335	0.5
161.05991	7.5
162.03105	1.7
162.06729	0.7
163.03897	2.5
164.04694	11.9
165.05476	45.3
173.05994	5.7
174.06755	2.1
175.03931	2.1
175.07552	15.0
176.04716	5.7
177.05473	8.7
178.06276	5.6
179.03508	0.6
180.04231	2.5
191.06990	1.2
192.07857	4.3
193.08679	1.3
195.06554	20.3
226.06252	0.6
227.07150	0.6
269.08344	0.7
270.08972	3.0
282.08673	0.6
284.10541	1.5
285.11334	2.7
297.11246	1.2
315.12378	2.7
321.27448	0.6
329.13974	30.7
330.14249	0.8
333.13397	1.1
350.29498	0.7
372.86215	0.5
387.17804	0.5
432.15759	2.2
444.15863	1.0
447.18188	6.6
459.18164	2.1
477.19226	100.0
478.19260	3.0
489.19315	2.3
507.20508	3.1
525.21338	13.8
526.21667	1.0
555.21991	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	555.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89947	1.2
57.28341	1.3
58.46703	1.3
59.01228	3.1
60.04908	1.2
60.69328	1.2
66.23387	1.3
67.37578	1.3
85.67651	1.5
96.95853	4.8
108.02001	3.9
109.02815	33.7
111.00719	2.2
123.00746	2.6
124.01507	2.2
152.01085	4.5
153.01822	52.3
171.10139	1.8
174.23251	1.7
247.20671	4.8
263.82791	1.8
265.21591	2.0
309.20718	5.1
327.21680	12.7
345.22852	21.6
370.63080	2.0
445.22290	2.6
463.23328	9.1
481.24225	8.1
520.79932	1.9
555.28149	100.0
556.28656	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	555.2844
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
55.99707	0.2
57.03297	0.3
59.01243	0.6
62.89542	0.2
63.96102	0.4
64.96892	0.3
68.76819	0.3
69.03304	0.5
71.01239	4.9
73.02791	1.4
78.98452	4.6
79.95588	7.4
79.96037	0.5
80.94650	0.7
80.96372	52.4
80.98344	0.8
81.03305	0.8
83.01231	0.4
85.02805	2.0
87.00736	1.8
94.97942	13.5
95.00480	0.2
96.95867	1.0
97.02789	1.3
101.02304	2.9
106.97955	2.9
113.02300	0.5
122.97449	4.5
125.02312	2.8
127.03902	0.7
134.97461	4.4
136.98994	1.2
148.99033	4.6
152.98518	6.7
155.00148	0.3
164.98535	10.4
167.00070	0.3
167.86661	0.3
182.99609	1.6
206.99660	3.0
211.87895	1.0
225.00710	17.5
226.01028	0.3
243.01825	2.3
255.23257	3.3
256.23611	0.3
269.21173	0.4
285.20679	2.3
287.22256	1.1
299.04495	2.4
316.35098	0.3
404.86429	0.3
416.71570	0.4
505.26483	0.3
555.28473	100.0
555.42590	2.7
556.28790	4.7
571.78943	0.3
578.68555	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2846
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
50.67473	0.2
50.81797	0.2
52.96958	0.3
59.01236	0.8
59.97213	0.2
63.96109	0.6
64.48245	0.2
69.03307	0.4
71.01234	5.5
71.01635	0.3
73.02799	1.4
78.98445	4.8
79.95115	0.4
79.95587	7.1
80.42782	0.2
80.94520	0.8
80.96371	52.3
80.98476	0.5
81.03324	0.7
85.02798	2.7
87.00739	2.4
91.25887	0.2
94.95537	0.3
94.97935	13.2
95.01215	0.4
96.40473	0.3
96.95872	0.9
97.02796	1.6
99.00739	0.5
101.02309	1.9
106.97936	3.2
110.88956	0.3
113.02306	0.4
116.68037	0.3
122.97440	2.9
125.02296	2.4
127.03872	0.6
130.06927	0.3
134.97452	4.9
136.99014	1.1
138.96941	0.4
143.03345	0.3
148.99025	5.0
152.98514	5.2
152.99660	0.5
164.98528	10.8
167.00130	0.4
188.98549	0.6
206.99663	1.7
211.87947	0.8
225.00694	14.2
254.85744	0.3
255.23267	2.2
276.70950	0.2
277.89890	0.3
285.20718	3.6
286.21063	0.4
287.22275	1.8
299.04413	2.7
555.28461	100.0
555.42657	4.1
556.28638	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	556.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02827	3.5
59.01236	0.8
59.01605	0.6
61.98678	1.9
71.01222	1.1
72.00767	0.7
74.02027	0.6
74.02335	7.6
82.02826	0.9
84.35999	0.7
86.02328	3.9
87.00753	1.2
87.05470	1.9
89.02298	0.9
93.03312	1.2
96.95872	23.6
97.03929	0.7
99.05507	8.4
101.07072	1.4
102.05473	1.0
108.04394	0.9
109.07623	0.8
112.03902	1.3
121.02805	1.9
127.04971	1.6
128.03410	20.2
129.94308	0.8
130.08601	1.7
133.02795	2.2
135.04509	0.8
135.05521	2.7
137.02353	0.8
137.07086	1.1
139.03915	1.2
141.06528	2.1
143.04504	30.6
145.06075	1.1
146.04443	2.5
146.70117	0.8
149.02341	9.9
150.03081	1.0
150.12532	0.8
153.06592	1.9
160.00603	5.4
161.02315	1.2
166.09698	1.2
167.04590	1.8
177.01862	15.3
177.03302	1.6
179.04553	5.3
181.06242	0.8
185.05569	1.0
192.07642	1.6
193.01215	1.1
197.72304	1.0
205.01367	33.8
206.02032	2.7
210.08765	5.8
223.19229	0.8
239.00179	100.0
240.00551	2.3
254.07822	9.0
272.08887	31.0
282.99203	1.7
288.06583	0.9
306.07675	11.5
383.05618	1.1
458.17584	1.4
494.08621	1.4
512.09857	26.2
513.10394	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35650	0.4
51.35958	0.3
54.19339	0.4
59.01235	0.7
71.01231	1.6
73.02805	0.5
74.30833	0.4
78.95762	16.2
78.98415	1.2
79.95589	2.4
80.96378	15.1
80.96854	0.7
92.32974	0.9
92.33543	1.1
94.97945	3.8
96.06415	0.6
96.96844	0.5
101.02306	0.6
106.97952	0.9
122.97455	1.1
125.02309	0.6
134.97420	1.0
148.99051	1.6
152.98480	1.4
152.99484	2.3
164.98553	3.5
166.27052	0.5
168.04218	3.0
204.70755	0.5
206.99933	0.6
224.06897	7.5
225.00758	2.8
226.01091	0.9
242.07907	1.9
267.19748	1.4
269.21225	1.4
281.24872	100.0
282.25244	1.3
285.20709	4.9
286.21130	2.2
287.22427	3.4
288.22729	2.6
315.71118	0.5
506.32547	65.0
507.33142	1.0
538.09845	0.7
555.28479	1.5
555.42627	2.2
556.28845	32.4
556.42163	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	556.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01021	0.7
59.01245	7.4
60.88337	0.5
61.98404	0.8
61.98695	9.1
71.43391	0.6
75.84322	0.6
78.95759	3.5
79.58472	0.6
79.97928	0.6
80.00178	0.8
92.32996	1.0
110.80468	0.6
141.27956	0.7
152.99463	1.1
168.04221	1.6
217.12329	1.1
242.07928	1.5
280.39163	0.7
281.24872	100.0
282.25168	3.1
401.33463	0.8
441.72101	0.8
479.99771	0.8
506.32541	34.6
507.32751	1.8
520.23181	1.3
530.17737	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33766	0.2
59.52711	0.2
69.03303	0.4
69.96692	0.2
72.99174	1.1
73.02805	4.4
77.45270	0.2
78.78674	0.2
83.69752	0.2
92.82771	0.2
96.95872	1.4
97.02789	0.6
98.85159	0.2
99.00737	0.7
99.92440	5.6
104.88210	0.2
112.37859	0.2
113.02312	1.2
114.93245	0.3
116.89577	1.2
116.92722	100.0
116.96342	1.0
117.01794	10.5
117.92723	2.5
125.02317	3.3
135.35715	0.2
141.01808	0.6
157.41795	0.2
191.10674	0.2
235.95743	0.2
240.99928	0.3
247.74303	0.2
259.13409	0.5
277.14493	0.4
303.12463	0.3
365.12433	0.4
374.49673	0.3
383.13470	5.0
384.13834	0.5
405.80206	0.2
411.12973	0.5
414.44409	0.3
439.12479	1.8
440.12814	0.3
515.77429	0.2
521.03693	0.5
557.09546	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94245	0.3
59.01242	0.8
65.45397	0.4
68.13689	0.3
70.59394	0.3
71.01241	1.2
72.99169	0.7
73.02839	0.4
79.95597	2.8
80.96382	2.3
85.02788	1.1
87.00740	1.1
87.69698	0.6
87.70151	0.5
91.74138	0.3
96.95869	100.0
96.98425	1.3
99.00688	0.4
101.02293	1.4
102.89913	0.4
108.02025	0.4
109.02810	15.1
113.02294	1.4
123.04378	1.9
138.96899	0.6
150.96991	0.7
151.03827	0.8
153.01825	21.1
163.03833	0.5
165.05418	0.5
166.96429	1.0
169.05525	0.4
185.46211	0.4
195.02931	2.5
206.17888	0.4
222.58066	0.4
222.99072	0.8
241.00215	83.4
242.00587	0.8
255.05132	1.1
285.44595	0.9
315.07227	3.9
395.02872	3.1
400.79486	0.4
403.05484	1.2
441.43216	0.5
477.12460	1.7
483.12955	0.4
557.08209	70.6
558.08337	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	557.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02628	0.1
57.62892	0.1
75.00742	0.1
79.45695	0.1
79.95589	4.8
79.97453	0.1
83.95714	0.1
93.03307	0.4
96.93040	0.8
96.95868	100.0
96.98318	1.6
97.95802	0.1
108.02003	0.1
109.02805	0.4
109.93192	0.1
121.02833	1.1
134.03584	0.3
135.04422	0.3
139.16463	0.1
159.04381	0.1
165.01799	0.1
165.05521	0.2
167.03397	0.1
169.06551	0.1
173.05923	0.2
177.05540	0.2
178.02647	0.4
185.06001	0.1
189.05452	0.1
191.05539	0.1
197.06059	0.4
200.98564	0.2
203.07022	0.1
206.02231	0.2
209.04463	0.2
221.04527	0.5
225.05534	1.7
226.06262	0.3
227.07124	0.4
229.01158	0.1
229.04977	0.2
238.06238	0.3
240.07942	0.2
241.05029	0.4
243.06660	0.2
255.06532	0.2
257.04599	0.2
259.01205	0.5
271.06216	0.5
284.06949	0.8
285.07724	0.3
297.07791	0.2
299.09268	0.1
313.10876	0.3
315.08765	0.2
344.12689	1.5
359.15057	5.3
395.04382	1.0
398.44922	0.1
521.20258	1.3
557.09729	37.9
558.10059	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	557.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60564	7.4
59.01231	24.9
61.98683	16.5
65.92603	8.7
67.21078	8.1
71.01239	14.8
75.93561	8.1
78.95763	42.2
93.03336	10.2
93.82913	8.7
96.95873	76.1
115.00226	34.4
116.92722	49.8
122.70546	8.5
128.03415	11.5
141.09047	10.3
150.03107	10.1
151.00287	12.5
152.99486	25.4
165.05428	12.7
175.02377	47.5
175.07617	15.7
211.02338	9.6
216.55939	9.2
217.08830	10.9
220.19626	9.0
224.98689	8.4
235.42607	8.8
271.06100	14.6
272.06262	9.9
283.15674	17.3
292.70267	11.4
329.13971	100.0
359.14999	27.2
521.20294	11.8
557.17908	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	19.5
61.98684	17.7
63.85927	4.0
70.72041	6.0
71.01243	11.0
72.99164	11.9
78.95794	10.2
83.33141	4.3
85.02862	7.0
87.00710	7.1
89.02296	7.5
93.03307	7.7
96.95872	59.9
101.02295	10.5
102.98436	6.3
107.89754	5.0
112.05023	5.2
128.03423	10.2
128.90021	8.1
129.03352	8.0
133.18680	5.0
135.04446	6.9
146.03587	8.3
147.04424	41.1
150.03094	8.7
152.99445	6.9
161.77007	4.7
163.04007	5.1
164.04700	11.1
165.05475	100.0
173.04507	19.1
175.02393	6.0
179.07109	13.6
225.35620	5.9
249.03154	5.1
265.15878	6.3
283.05093	11.0
316.02124	11.6
329.14111	12.8
331.04013	7.6
354.28110	5.6
401.00723	5.6
494.10156	21.1
532.87891	5.8
557.18378	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	557.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31160	1.0
54.26160	0.8
55.84406	0.9
57.03323	4.0
59.01241	34.6
69.71387	0.9
71.01236	21.1
71.01581	1.2
71.04881	1.1
72.99162	3.0
73.02798	13.2
73.03125	1.1
79.77975	0.9
83.01258	2.9
83.04919	4.7
85.02803	9.1
87.00771	2.4
89.02303	15.7
91.73401	2.7
92.91529	1.1
95.01245	2.1
96.95870	5.9
99.00779	1.9
101.02299	15.4
101.02854	1.4
107.04910	2.7
109.02856	1.8
111.04427	2.1
113.02288	9.7
115.00257	7.3
116.92730	2.4
119.03359	6.2
121.02899	1.1
123.04421	2.3
125.02368	1.4
131.03429	2.1
133.01311	25.7
133.02206	1.8
133.04945	18.7
137.02332	5.4
137.05975	1.4
137.09619	2.3
138.03125	5.4
147.04460	2.9
148.05179	23.1
149.02507	1.2
149.06012	5.9
150.03143	7.7
151.03900	20.7
151.04984	1.3
153.09190	3.4
161.04608	2.2
161.06047	4.1
162.03146	7.3
163.07634	5.0
164.04739	2.2
165.05478	7.3
166.06274	1.6
179.07109	3.1
180.04300	5.1
181.08641	1.6
195.06595	6.8
196.06824	1.3
199.07504	6.2
203.07210	1.6
209.90466	8.0
211.90112	23.9
214.09904	8.5
217.12526	1.4
219.06699	1.5
219.10239	2.3
220.07288	1.4
221.08223	2.1
224.92810	5.7
226.92487	19.8
226.94527	1.7
231.10294	3.2
231.14006	3.8
233.15477	5.5
245.19197	1.9
249.15004	1.3
251.16644	1.6
259.13495	2.3
261.15192	1.4
271.17041	39.0
273.18765	1.7
277.14474	21.2
279.16006	8.8
287.16699	4.2
289.18103	100.0
290.18613	2.2
307.19232	3.4
315.16025	16.6
321.13431	1.8
333.17130	22.9
333.20776	2.0
359.14984	2.8
367.14011	2.7
377.16010	1.9
423.12949	2.1
440.20767	1.7
451.23416	73.5
452.23810	3.3
469.24268	9.3
483.18689	6.3
484.19458	5.9
485.20273	1.9
495.22348	79.2
496.22717	3.4
497.05481	2.1
513.23303	12.0
539.21625	4.8
557.22479	33.3
558.22943	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	557.2243
Annotation	Yadanziolide U
Peak:m/z	Relative Intensity
56.96033	0.5
59.01244	29.2
59.02447	0.9
59.03725	0.6
71.01240	18.9
71.04887	2.1
72.00765	0.7
72.99178	2.2
73.02809	8.5
73.87588	0.6
79.95620	0.7
81.03316	1.5
83.01249	4.5
83.04887	1.3
85.02809	11.5
87.00728	3.9
89.02312	9.3
93.03333	0.9
95.01244	1.7
96.95874	27.3
97.02824	1.2
99.00753	2.5
101.02308	17.4
103.25416	0.6
109.02814	1.0
109.52917	0.6
111.00764	0.8
111.04407	1.8
112.01522	1.1
113.02309	18.8
119.03368	2.6
123.04404	3.3
125.02318	28.3
125.06026	0.9
129.01799	0.7
129.68365	0.7
133.06516	0.8
135.04402	0.9
139.03868	1.0
147.08061	3.1
149.02319	0.7
149.05956	0.9
150.03123	1.0
151.03949	1.1
159.02847	1.0
161.04463	2.1
162.03139	1.2
164.04692	1.3
165.05495	2.5
165.09250	0.9
176.63686	0.6
177.05557	2.3
195.06584	0.9
202.03510	1.3
241.00215	11.9
241.16026	1.2
257.15317	0.9
261.18643	1.1
271.17114	0.9
285.14865	1.0
289.18164	2.6
297.15057	0.9
315.16068	3.9
333.17099	6.2
335.15045	0.8
351.17880	0.9
368.14075	0.7
451.23404	1.9
451.29605	0.9
457.20477	1.0
467.22998	1.3
469.20682	10.3
477.21631	2.2
495.22455	45.4
496.22733	2.7
513.23627	38.5
514.23798	1.2
521.20221	7.3
539.13043	1.1
539.21429	23.2
540.21960	0.9
557.10394	3.3
557.22455	100.0
558.22742	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67830	0.3
58.75761	0.4
59.01232	2.0
61.98689	0.7
63.03145	0.7
67.01867	0.9
67.02160	0.5
70.26813	0.4
71.01238	0.8
85.02826	0.6
91.72988	1.6
93.03311	4.5
96.95876	1.7
106.42930	0.5
108.02028	2.0
109.02821	6.0
114.66387	0.5
119.04868	0.9
121.02818	23.4
122.03603	21.7
123.04404	5.4
124.01513	0.8
129.03322	1.1
129.20154	0.5
132.02032	4.3
133.02834	16.6
134.03622	11.8
135.04422	2.5
136.01520	1.0
136.05191	1.9
137.02351	1.1
143.04648	0.5
145.02843	7.1
146.03630	3.3
146.51787	0.5
147.04401	13.2
148.05170	1.2
149.02332	32.7
149.05975	14.6
149.07106	0.7
150.03113	72.9
151.03653	1.7
154.02625	1.4
159.04372	1.1
160.05278	0.5
161.02345	2.0
161.05977	5.3
162.03137	3.0
162.06802	0.8
163.03841	1.1
163.27373	0.4
164.04692	9.3
165.05467	81.2
166.05820	1.1
172.53485	0.4
173.06065	0.5
175.07582	0.8
177.05447	3.1
178.06247	1.4
179.07066	10.5
180.04164	3.2
193.08656	0.5
195.06563	22.2
196.06818	0.7
196.51939	0.4
209.08218	0.7
223.09663	0.6
270.09085	0.9
271.09802	0.6
283.09750	1.0
284.10745	0.7
285.11435	0.6
297.11319	2.1
298.12265	0.8
299.12982	0.9
299.49390	0.5
313.10852	0.8
313.14432	1.2
315.12384	2.0
316.12991	0.7
327.12494	0.7
329.13950	4.9
331.15524	0.7
332.12555	0.6
346.14178	7.0
347.15033	10.4
359.15170	0.8
360.15814	0.8
361.16592	54.5
362.16864	2.2
375.18167	0.9
415.17621	8.9
451.17322	0.8
461.19980	0.8
463.17557	1.1
509.21805	100.0
510.22180	5.5
521.21802	8.3
539.21936	6.6
539.29010	3.2
540.23224	0.7
544.13342	0.5
557.23853	9.3
574.35510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70441	0.9
53.70772	1.0
54.57000	0.9
57.02262	1.9
57.03318	100.0
57.04451	1.9
59.00123	1.2
59.01244	74.0
59.02433	1.2
61.98675	2.8
71.01242	12.8
72.11086	1.1
73.02808	3.6
73.55865	1.2
81.03322	2.6
83.01241	1.7
85.02804	3.4
89.02292	12.0
96.95861	9.4
98.62572	1.4
99.04379	96.5
101.02303	29.0
103.62041	1.3
109.02809	3.7
113.02317	8.9
116.92722	2.4
119.03374	7.3
123.04393	1.4
125.02319	44.1
129.74725	1.2
131.03368	2.0
133.01247	1.5
135.04387	2.2
137.02264	1.4
143.03401	6.5
149.04395	1.7
152.51324	1.3
153.01820	3.3
161.04463	4.2
179.03429	1.2
179.05531	5.3
188.91185	1.4
191.96393	1.2
303.32483	1.3
405.03323	1.4
455.22617	3.0
499.05334	1.6
506.54889	1.3
556.57434	1.6
557.25409	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	557.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
68.08739	2.2
106.04102	2.4
119.04870	4.7
121.02830	6.1
329.28503	100.0
330.28766	4.4
357.91489	2.7
373.27463	91.6
374.27765	5.5
376.36981	2.5
487.88818	2.6
540.37878	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	557.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46537	0.3
57.03326	0.4
59.00095	1.8
59.01243	100.0
59.02565	1.3
61.98690	2.3
63.57827	0.7
68.91222	0.3
71.65846	0.4
78.95770	0.6
91.72725	0.4
92.91702	0.4
93.03326	0.6
95.57322	0.4
96.95849	1.9
99.08031	0.9
101.05968	0.6
106.89639	0.4
107.97177	0.4
129.52538	0.4
137.33220	0.5
152.99512	0.7
163.07614	0.4
201.43805	0.4
213.40855	0.4
215.10767	3.0
217.12411	0.8
219.13940	0.5
229.12421	0.6
231.13953	0.9
243.25192	0.4
245.15547	0.5
247.13524	0.9
251.33630	0.4
263.50635	0.4
275.09348	0.5
277.67712	0.4
313.67828	0.4
360.64771	0.5
467.28064	2.1
497.29132	22.5
498.29782	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25976	0.9
59.01242	100.0
59.02448	2.0
61.98691	2.0
64.35825	0.9
74.44780	1.0
75.97617	0.8
85.02807	3.0
97.02801	1.9
99.07997	1.6
101.05936	1.2
123.08018	6.5
141.77907	1.0
149.09560	1.4
152.16652	1.0
185.06042	1.9
186.06845	1.9
217.12364	2.2
229.12297	44.4
231.13860	10.2
233.11859	8.3
235.13409	7.9
247.13347	12.0
267.13174	1.6
267.16003	26.0
311.14975	6.1
458.90912	1.1
574.36609	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29219	2.4
55.49924	2.3
57.33995	2.3
59.01231	14.5
61.98695	100.0
74.46492	2.9
80.41945	2.4
81.24204	2.9
85.02805	2.9
95.04910	4.3
96.95897	4.2
99.08018	6.5
115.17834	3.0
122.03656	5.8
123.04365	19.3
136.05180	3.5
137.51756	3.4
139.11209	5.6
152.99515	3.6
160.64482	3.0
199.07634	8.5
201.05496	4.4
214.06262	3.5
215.07127	4.4
224.60933	2.9
227.07086	4.5
229.08792	5.7
253.08784	3.8
254.09354	3.7
259.86182	3.3
269.15518	10.4
271.17151	10.5
279.19803	3.4
295.22977	10.7
297.15024	8.6
313.21857	4.1
315.23322	3.2
325.18298	4.3
333.24554	7.7
333.94675	3.6
355.22751	23.7
401.23413	6.0
413.27036	3.9
417.30313	8.3
421.24069	5.0
432.56265	3.4
435.25455	6.8
437.26709	5.0
439.24884	27.2
440.25699	11.2
450.42313	3.3
453.26437	6.9
455.28119	6.4
495.34836	5.5
521.32898	12.3
529.35388	21.1
529.64642	3.7
538.41241	3.4
539.33850	95.8
540.34235	4.5
557.34766	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91827	0.7
54.83043	0.8
57.03320	7.8
58.00466	1.4
59.01241	5.2
60.78975	1.0
61.98684	4.8
69.64439	0.8
71.08521	0.9
77.32249	0.8
81.03329	1.2
81.44690	1.0
82.38824	1.0
83.04868	2.1
85.02811	5.5
89.99234	1.1
93.03318	3.1
95.04886	5.6
99.08014	12.8
101.04784	0.9
101.05930	1.5
109.02785	1.0
109.06388	1.2
111.04364	2.5
112.76523	1.0
113.05942	6.2
121.02817	2.5
122.03585	3.8
123.04381	13.0
123.08026	2.0
124.12653	1.0
125.05916	2.0
136.05168	2.3
139.03883	4.7
139.11142	1.4
149.05949	2.1
149.09610	1.0
160.05174	1.1
161.05925	1.2
162.06792	1.1
169.65878	1.0
173.05974	3.0
177.09102	1.6
186.06749	2.2
187.07573	1.6
191.14310	1.2
193.15883	1.1
199.05792	1.3
199.07616	2.2
201.05473	3.2
201.09120	1.6
202.06244	1.2
203.07024	1.4
214.06320	1.7
215.07091	4.2
215.10695	1.6
217.12463	2.2
221.11740	1.7
225.05559	2.2
227.07179	5.2
228.07846	2.7
229.08667	2.7
229.12350	1.6
233.11906	1.1
239.07137	1.1
241.08775	3.1
243.10210	2.1
244.11053	1.3
245.11707	1.9
245.94768	1.1
252.07498	1.1
253.08713	1.8
255.10309	1.3
255.13875	1.2
257.15491	2.5
259.09781	1.7
261.11261	1.6
263.12949	1.3
271.17233	1.9
273.18698	2.3
273.22284	1.5
278.79022	1.3
279.19748	1.4
285.14896	1.5
289.25250	2.3
295.22736	10.2
297.14923	1.9
299.16437	6.2
301.14557	2.1
301.21716	1.1
304.20398	1.1
311.16574	7.7
315.16129	2.5
315.19736	1.6
315.23221	2.4
317.17520	2.3
317.21332	2.8
319.22470	1.5
325.14453	1.7
331.22699	2.8
333.24362	36.4
336.86453	1.3
343.15546	6.8
361.24231	1.4
373.31555	1.5
381.28299	1.9
383.22336	9.3
395.25928	2.5
399.29059	22.7
401.23312	8.7
415.28558	3.6
417.30145	40.9
418.30408	2.4
421.23901	5.3
425.26895	2.5
427.21411	1.3
437.26801	9.7
439.24930	28.4
440.25406	3.3
441.30310	1.4
443.28122	13.2
443.34222	1.9
445.29535	1.4
455.28177	4.1
459.31110	3.1
481.33997	2.5
495.34583	1.9
499.34125	6.2
503.31796	3.1
511.34708	1.3
521.32758	23.3
529.35620	6.4
537.53107	1.3
539.33789	100.0
540.34314	7.2
557.34875	40.3
558.35144	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	557.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38285	1.4
52.08104	1.3
57.03308	5.5
59.01243	4.6
61.14413	1.5
61.67051	1.4
61.98693	17.4
85.02831	2.5
87.79790	1.6
95.04916	2.6
99.04370	2.2
99.08022	7.9
101.05959	1.8
109.44218	1.4
113.05962	2.0
121.06472	2.1
122.03664	4.1
123.04383	17.2
133.16826	1.6
136.05174	3.2
149.05919	2.3
162.06761	2.1
173.05968	2.3
174.06654	1.8
199.07634	2.2
200.44911	1.7
201.05473	4.7
201.09215	2.3
202.06203	1.9
214.06299	3.9
215.07155	4.4
227.07130	5.4
228.07939	3.5
233.11807	3.4
239.07224	4.1
239.10927	2.2
241.08766	4.3
245.11864	2.4
249.06804	1.8
257.15436	3.5
258.85507	1.7
281.15433	1.8
295.22852	7.2
297.14951	3.5
298.15692	2.5
299.16666	8.6
311.16504	6.0
315.16263	2.7
317.21353	2.1
319.19315	2.2
331.22775	2.1
333.24359	15.2
343.15527	9.4
365.17514	2.2
383.22394	8.9
395.26010	2.1
399.29041	6.5
401.23245	8.2
417.30310	14.0
421.23898	6.3
437.26834	8.4
439.24918	39.7
440.25760	4.9
443.28180	2.9
455.28421	7.6
503.31439	2.2
521.32806	21.0
529.34949	7.8
539.33813	100.0
540.34039	3.0
557.35492	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	559.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
67.66596	0.5
78.95721	1.0
96.93169	0.5
96.95871	44.5
96.96827	1.9
97.75413	0.5
109.65225	0.4
138.94833	0.6
202.88882	0.4
214.02577	0.6
214.42720	0.4
227.03435	6.0
241.01292	0.6
251.03510	0.6
255.02943	3.4
256.03690	4.9
270.05344	9.9
273.12119	0.5
279.03091	0.7
288.02731	1.1
293.04462	0.6
298.04660	0.7
302.04248	3.7
303.06549	1.2
307.06110	0.8
315.06778	1.0
317.08154	0.8
319.02582	0.7
319.06158	1.8
320.35590	1.3
329.04617	1.0
330.05103	0.7
331.06079	2.2
333.07639	1.6
340.03519	0.6
343.06131	0.8
345.07562	0.7
346.04688	0.8
347.05594	3.5
356.03140	0.7
357.03976	1.8
358.04709	1.2
359.05603	3.0
361.07260	1.1
371.05591	1.2
372.06650	1.1
373.07150	1.3
374.04108	1.5
375.05243	5.2
376.05597	0.8
377.06549	0.7
387.05264	2.2
389.06732	5.4
390.07452	8.0
391.08365	3.7
392.08905	1.3
402.07443	4.5
405.09869	10.9
413.94806	0.5
417.09833	2.1
420.08646	2.9
434.06628	0.8
435.11246	5.4
446.06708	1.8
449.08813	11.1
461.08667	2.9
464.07397	1.3
479.09860	100.0
480.10208	3.5
559.05573	25.7
560.05920	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.9
61.98692	0.8
71.01240	0.9
73.02813	0.6
74.10051	0.3
77.24364	0.3
77.87092	0.3
78.95756	1.4
79.95585	2.4
85.02796	0.3
89.02280	0.6
93.03328	0.8
96.93089	0.9
96.95869	100.0
96.96874	2.5
96.98345	1.5
99.00763	0.3
101.02328	0.5
108.02013	0.5
109.02811	1.4
110.03226	0.3
113.02348	0.4
115.00288	0.3
121.02821	4.7
122.03730	3.1
123.03912	0.6
123.04493	0.6
132.02017	0.7
133.02859	2.8
134.03529	1.6
135.03943	1.0
143.04453	0.4
145.02815	1.4
146.03586	0.8
147.04463	2.0
148.04747	1.2
149.02335	5.8
149.05992	2.5
150.03128	14.9
150.06326	1.1
151.03470	6.2
152.03650	1.1
154.99736	0.4
161.02327	0.4
161.05925	1.0
162.03040	0.4
162.06299	0.4
164.04724	1.5
165.05475	15.1
166.05824	6.5
167.06001	1.3
173.04329	0.3
175.02348	0.4
177.05351	0.4
178.05965	0.4
179.07037	1.9
180.04233	0.6
180.07367	0.9
195.06561	3.6
196.06917	1.8
197.07188	0.6
202.63638	0.3
230.62541	0.3
243.02890	0.6
257.04495	0.7
271.02530	1.4
271.09583	0.4
284.10330	0.3
299.01898	1.1
300.02707	0.9
304.72336	0.5
314.04346	1.8
315.05020	1.8
329.13531	0.5
330.14246	0.7
346.14243	0.9
347.14722	2.1
348.15179	2.0
349.15546	0.4
361.16461	4.2
362.16931	8.2
363.17200	2.4
415.17374	0.5
416.17975	1.0
417.18210	0.6
461.10910	4.0
477.09952	0.5
509.21844	1.3
510.22107	18.2
511.22461	10.8
522.21973	1.2
523.22418	0.9
529.19171	0.5
540.22858	1.2
540.29279	0.9
541.23120	0.8
558.24078	1.7
559.24548	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.113
Annotation	Unknow
Peak:m/z	Relative Intensity
72.79298	0.3
77.16777	0.3
77.20631	0.3
79.95587	1.1
80.02549	0.4
80.96372	1.6
91.72727	0.7
95.95086	0.8
96.95867	5.1
98.95453	1.3
98.96266	0.4
108.02030	28.1
109.23830	0.3
116.91622	0.3
121.02831	0.6
123.04382	14.6
123.05278	0.8
123.95621	0.3
134.26367	0.3
137.07404	0.3
147.04413	0.6
151.95831	0.8
152.01039	72.4
153.01367	0.9
165.05495	0.4
167.03400	100.0
168.03751	1.8
184.39592	0.3
209.04553	0.9
228.00972	0.4
229.01593	0.8
359.14984	0.8
391.07132	2.6
415.12488	0.4
510.78192	0.5
559.11237	33.6
560.11401	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	27.7
61.60228	4.1
61.98690	36.5
62.71983	3.1
65.86678	3.5
78.95757	5.6
86.40392	3.8
93.03312	5.3
99.08033	10.7
107.04893	29.9
109.02821	5.1
123.04385	4.0
131.04898	5.0
133.02818	8.9
135.04422	25.0
145.87199	3.9
149.05963	66.4
151.00256	7.5
151.03857	6.3
161.05850	3.9
162.03130	9.8
173.04533	5.0
173.06017	7.8
175.03893	5.4
177.05528	6.2
179.03391	25.0
191.07045	38.1
198.77524	4.7
201.09140	4.7
208.92625	4.4
215.10754	5.5
217.12231	12.0
219.10181	6.4
221.11810	6.6
231.10081	20.1
233.11823	53.0
235.13478	6.5
245.11874	10.6
249.11285	10.7
260.10513	6.7
261.11307	55.6
276.09961	6.0
383.18808	5.5
385.16608	6.4
403.19080	13.6
421.20239	13.1
479.24426	10.5
505.22342	6.1
506.54431	5.2
513.48376	4.3
523.23456	100.0
524.23169	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	559.211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.0
59.01241	20.4
61.98698	28.7
68.57552	2.9
81.19523	3.0
89.68221	2.8
93.91965	3.6
99.08045	8.3
107.04896	38.4
109.02863	4.0
121.02852	6.0
123.04366	6.0
133.02866	10.4
135.04390	24.3
139.03996	3.3
147.04396	4.2
149.05969	79.0
151.00285	6.5
154.39609	3.5
160.05330	3.3
162.03201	8.9
173.04593	3.7
173.06003	7.6
175.03984	3.6
175.07590	6.4
177.01855	4.7
177.05524	8.6
179.03432	23.8
191.07072	33.5
201.09215	3.8
217.12303	7.3
219.10178	5.4
231.10352	11.3
233.11844	37.1
240.69330	3.6
243.10159	3.9
245.11827	6.1
249.11360	15.6
259.09897	5.5
260.10651	12.3
261.11307	40.0
276.10043	4.0
277.10962	4.5
403.19354	13.3
421.20245	18.2
423.97491	3.5
479.24542	10.8
523.23383	100.0
537.91803	4.3
541.90326	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	559.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.6
57.03307	1.2
58.00443	0.7
59.01242	41.2
59.02475	0.8
61.98674	0.8
71.00880	1.3
71.01242	17.9
72.99176	0.8
73.02804	14.2
78.95769	1.1
83.01237	3.9
85.02795	3.9
85.99967	0.9
87.00745	4.5
87.79599	0.6
88.82991	0.7
89.02304	6.8
91.72759	1.3
93.03293	1.0
95.01228	1.0
96.95844	1.1
97.06449	1.0
99.00748	1.4
101.02301	13.9
108.25962	0.8
111.08015	2.3
113.02289	4.4
113.09608	1.2
116.88727	0.7
119.03358	2.0
124.01562	0.7
125.02282	1.1
125.09612	1.1
131.03285	1.0
134.78749	0.6
134.82408	1.1
141.50313	0.7
145.02800	1.5
152.99498	0.9
153.12729	3.8
157.08603	15.1
161.04483	0.9
171.10146	3.7
182.85568	0.8
185.11815	3.8
185.13251	0.6
187.09653	4.5
243.03192	0.7
249.22124	0.8
275.20209	4.8
293.21237	32.2
294.21576	1.3
311.22290	6.6
312.22647	1.0
335.22229	1.6
455.26456	12.9
473.27563	23.0
474.27542	1.2
515.28613	100.0
516.28912	3.6
586.70068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79237	0.4
56.26899	0.5
58.99934	1.0
59.01242	100.0
59.02392	2.0
61.98695	0.8
62.21138	0.4
62.46066	0.4
63.57631	1.0
71.73535	0.5
83.35739	0.4
99.98160	0.5
124.87288	0.5
132.10754	0.5
152.47739	0.6
233.11813	0.8
247.13629	0.6
259.10034	0.5
267.16171	1.6
321.19403	0.5
518.58038	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85064	0.2
53.85358	0.2
58.99983	1.8
59.01241	100.0
59.02333	1.4
60.96392	0.3
61.51276	0.3
61.98699	0.7
63.14321	0.3
64.71526	0.3
119.20077	0.3
137.24307	0.3
172.41191	0.3
217.12361	0.3
249.15059	1.2
270.22989	0.3
290.04947	0.4
379.28763	0.3
512.95367	0.4
541.35773	0.5
543.66675	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92531	0.2
55.90268	0.2
59.01228	0.7
71.01241	0.3
79.95583	1.5
96.93413	1.5
96.95871	100.0
96.98720	0.8
98.06001	0.2
103.50743	0.2
108.02049	0.4
109.02807	1.8
123.04383	0.3
125.02303	0.5
135.04428	0.2
137.02292	0.4
153.01799	1.3
166.69868	0.2
166.87039	0.2
177.01996	0.2
183.77818	0.3
204.99802	0.3
209.06021	0.3
235.63660	0.3
237.05484	0.3
245.08067	0.2
253.05078	0.3
265.05005	0.4
281.04614	0.9
289.07202	1.2
309.04053	3.4
310.04874	0.4
311.05750	0.3
316.38370	0.2
407.00549	0.3
410.27347	0.2
425.12500	0.8
481.11163	1.1
501.01642	0.8
501.30673	0.4
561.17633	0.3
574.84930	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	561.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.2
65.76094	0.1
71.01203	0.1
74.84997	0.1
79.95583	1.8
82.04781	0.1
85.97288	0.1
91.72636	0.2
96.93028	0.8
96.95868	100.0
96.98326	1.5
114.96272	0.1
115.00256	0.3
117.28401	0.1
118.33579	0.1
123.04401	0.2
133.01312	0.4
146.74004	0.1
151.00244	0.3
155.89813	0.2
167.03354	0.7
170.94467	0.1
243.03084	0.4
255.03046	0.5
271.02527	1.5
300.02777	2.7
301.03461	0.8
351.89035	0.1
463.08878	3.5
517.15839	0.5
526.54669	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	561.071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61965	0.3
67.32408	0.4
70.54558	0.4
72.52389	0.4
77.45415	0.4
95.91236	0.9
95.91804	1.0
96.95876	8.5
108.02029	6.5
109.02818	6.1
123.04396	3.2
135.48251	0.5
152.01047	17.0
153.01822	9.6
167.01993	0.9
167.03407	13.0
173.29424	0.5
185.12703	0.5
213.01819	0.9
214.06346	1.2
225.05547	0.7
226.06284	0.7
227.03476	7.0
239.03604	1.3
240.04294	1.7
241.01360	0.8
241.04994	3.0
242.05821	4.2
251.03441	0.5
252.04387	0.8
253.05029	0.8
255.02956	2.5
256.03720	1.0
258.03720	0.6
267.02948	1.4
268.03778	3.3
269.04541	10.8
270.05347	16.2
279.02887	0.5
280.03815	4.1
281.04605	3.6
282.05362	7.1
283.02750	0.8
283.06128	6.1
296.06943	2.3
297.04129	1.6
297.07639	14.0
298.04855	20.4
299.05350	1.1
302.04300	0.7
312.06458	3.9
313.07211	49.0
313.23126	0.6
314.07571	2.0
327.08722	1.5
393.02908	12.2
422.10114	1.8
437.12543	2.4
466.09479	0.6
481.11435	100.0
482.11664	4.5
561.07135	20.0
562.06403	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69109	1.2
50.69330	0.7
53.00554	0.4
54.10426	0.3
54.37612	0.3
57.60147	0.3
58.00450	1.7
58.36864	0.4
59.01235	1.1
61.44915	0.3
71.84464	0.3
72.99168	20.3
75.00730	0.5
87.00704	0.6
93.03316	5.1
96.95895	0.7
99.00726	1.7
106.04087	1.0
107.04891	6.8
119.04879	1.6
121.02863	0.9
123.04417	0.7
125.63682	0.4
131.04890	1.1
133.02835	4.2
135.04387	1.6
137.05948	0.5
142.58218	0.4
147.04413	1.9
149.05971	4.9
151.03908	0.5
158.84290	0.4
163.03917	1.0
165.05470	47.3
166.05811	1.0
168.41560	0.4
175.03900	0.6
179.03406	13.5
181.05080	0.8
184.04633	0.4
193.03404	0.7
193.05000	8.8
209.04533	1.0
211.06117	0.7
255.05103	100.0
256.05478	2.0
309.42911	0.4
337.51083	0.5
354.29346	0.4
445.14731	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28543	0.1
56.73086	0.1
57.80479	0.1
59.01236	0.3
78.95762	1.7
79.95583	1.9
82.84753	0.1
91.73428	0.2
95.97450	0.1
96.93594	1.2
96.95869	100.0
96.96860	3.6
96.98507	1.4
97.95788	0.2
104.83157	0.1
106.57929	0.1
115.69930	0.1
116.92749	0.2
131.11774	0.1
147.27080	0.1
173.04500	0.2
198.31113	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	561.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64293	4.8
57.55022	3.7
59.01245	43.4
61.80796	3.4
61.98700	35.9
63.62609	3.5
79.93540	3.8
86.21475	4.5
99.07984	4.6
107.04889	94.8
121.02808	8.7
123.04382	25.3
135.04402	29.9
136.01541	42.8
149.05977	28.0
151.03905	38.1
177.05487	7.6
179.03427	62.4
215.10718	9.9
217.12383	6.7
231.10281	6.6
233.11787	32.1
245.11844	10.3
259.09842	12.1
260.10519	12.1
260.62772	5.6
261.11383	20.6
349.83194	5.3
463.24991	14.1
475.18936	5.2
481.25897	13.1
483.39905	5.5
507.23871	100.0
525.24969	74.5
561.22400	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	561.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87981	0.7
53.62274	0.7
57.03324	1.2
59.00111	0.7
59.01243	49.0
60.47581	0.7
61.98690	6.6
62.87336	0.8
64.45601	0.8
66.00477	0.7
71.01193	1.2
72.56328	0.7
78.01320	0.8
80.96393	0.9
96.95878	0.9
99.08030	2.8
100.38171	0.9
101.05973	1.3
105.83440	0.9
107.04871	3.5
109.02777	1.1
123.04376	2.1
131.04909	1.0
136.10347	0.9
144.48836	0.8
149.05994	3.8
159.04468	1.1
179.03412	1.4
187.03952	2.4
203.14404	1.2
215.03343	1.2
230.09451	2.0
231.10263	4.0
233.11780	1.5
243.10297	2.1
245.11784	1.1
258.09027	3.1
259.09705	6.3
260.10547	100.0
261.11264	8.7
265.14413	4.3
277.10791	0.9
369.95764	1.0
417.27975	2.9
423.21930	1.6
435.29047	2.7
453.29822	1.4
462.90094	1.1
501.32300	8.4
525.25018	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	561.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.5
57.03316	2.5
57.16780	0.7
59.01241	17.8
61.98698	4.9
69.03305	0.9
71.01235	29.5
71.97558	0.9
72.83097	0.8
73.02805	16.4
75.00699	1.0
76.67826	1.0
83.01238	4.9
83.04880	15.7
85.02803	13.3
87.00729	3.5
89.02303	8.1
93.03331	0.9
95.01265	2.0
95.04891	1.6
96.92216	0.7
96.95863	10.6
97.02793	3.6
99.00752	3.4
101.02298	18.9
109.02838	1.7
113.02306	9.5
119.03376	2.3
119.04928	2.0
122.03638	0.8
123.04408	1.2
125.02309	2.0
127.03880	4.2
131.03323	0.9
133.06508	1.5
135.08029	1.5
136.05211	1.5
138.06734	1.2
139.03993	1.1
139.11200	0.9
143.03406	1.3
149.09631	2.0
151.30428	0.8
153.01791	1.0
153.09114	2.5
159.02898	2.1
160.05205	1.9
161.04443	12.7
163.06068	0.9
171.06343	0.9
175.94252	3.8
176.94627	1.1
177.93987	52.3
178.94290	0.9
179.14352	4.6
190.96608	3.6
191.14330	1.1
191.97026	1.5
192.96344	59.3
193.96701	1.1
197.15320	4.1
205.07239	2.0
209.15482	1.4
217.16113	0.9
223.13283	1.0
247.20763	1.4
257.19101	7.7
263.16516	2.7
265.21841	2.1
273.18530	0.9
275.20166	11.8
293.08817	0.9
293.21298	4.4
301.18198	7.2
311.22314	1.6
319.19177	6.2
337.20105	5.6
338.61191	0.8
363.18121	1.3
369.03333	8.5
371.20447	1.2
381.19183	9.5
399.20313	5.6
437.25220	1.0
455.26688	2.0
463.23282	1.2
481.24390	3.5
499.25681	3.8
501.07501	13.3
501.30908	1.9
525.23676	0.9
543.24493	37.1
544.25220	1.2
561.25580	100.0
562.26025	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	561.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	7.2
59.01242	90.9
61.98690	18.0
66.97237	1.8
69.03307	9.7
70.25095	1.7
70.36763	1.6
70.40404	1.5
71.01253	3.5
73.02811	2.4
79.47144	2.0
83.04913	2.1
85.02815	4.7
89.18320	1.9
93.03304	2.5
99.08031	2.1
100.52017	2.2
101.24402	1.8
101.79378	2.1
105.20703	2.2
107.04887	6.8
109.02795	4.6
123.04408	3.9
133.06465	2.6
135.04442	2.2
144.46320	2.0
161.06010	2.4
179.03412	2.8
185.04103	2.1
217.12302	6.6
229.12331	2.7
231.10237	3.6
233.11801	3.6
239.18117	2.5
244.11002	5.4
245.11841	5.5
259.09769	4.6
261.11392	15.9
271.17053	4.0
289.18762	2.0
308.70258	2.1
380.10834	2.3
390.20413	2.7
400.92682	2.5
415.26315	2.6
417.27750	8.9
421.27747	2.6
429.27914	5.7
433.27496	14.3
435.29083	6.9
447.28796	11.8
451.28644	7.3
465.29947	6.8
483.31003	25.4
501.32233	100.0
515.03339	2.3
523.23187	6.9
525.25043	4.8
541.24628	5.5
561.21283	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	563.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95470	0.1
58.14608	0.1
58.82851	0.1
59.01233	0.5
60.83633	0.1
72.10463	0.1
73.02781	0.1
78.95760	1.7
79.95596	1.3
80.19653	0.1
84.36099	0.1
85.02804	0.1
87.00745	0.1
89.02293	0.2
92.81393	0.1
93.02525	0.1
96.93052	0.8
96.95867	100.0
96.96866	2.9
96.98328	1.6
97.95840	0.1
98.95460	0.2
101.02320	0.2
113.02310	0.1
115.49616	0.1
117.11032	0.1
125.02316	1.9
128.03452	0.1
137.02328	0.1
144.83794	0.1
149.02274	0.2
151.00288	0.6
152.01085	0.1
153.01816	0.4
175.02409	0.1
177.01822	0.4
178.99754	0.4
179.03398	0.1
181.01303	0.3
217.04953	0.2
241.05031	0.1
248.59145	0.1
261.58218	0.1
275.05563	0.3
285.04047	1.0
297.13406	0.2
299.05420	0.1
303.01563	0.2
303.05099	3.3
341.05508	0.1
343.06665	0.1
345.64966	0.1
465.10446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95470	0.1
58.14608	0.1
58.82851	0.1
59.01233	0.5
60.83633	0.1
72.10463	0.1
73.02781	0.1
78.95760	1.7
79.95596	1.3
80.19653	0.1
84.36099	0.1
85.02804	0.1
87.00745	0.1
89.02293	0.2
92.81393	0.1
93.02525	0.1
96.93052	0.8
96.95867	100.0
96.96866	2.9
96.98328	1.6
97.95840	0.1
98.95460	0.2
101.02320	0.2
113.02310	0.1
115.49616	0.1
117.11032	0.1
125.02316	1.9
128.03452	0.1
137.02328	0.1
144.83794	0.1
149.02274	0.2
151.00288	0.6
152.01085	0.1
153.01816	0.4
175.02409	0.1
177.01822	0.4
178.99754	0.4
179.03398	0.1
181.01303	0.3
217.04953	0.2
241.05031	0.1
248.59145	0.1
261.58218	0.1
275.05563	0.3
285.04047	1.0
297.13406	0.2
299.05420	0.1
303.01563	0.2
303.05099	3.3
341.05508	0.1
343.06665	0.1
345.64966	0.1
465.10446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.0
59.00042	0.8
59.01243	39.9
59.02579	0.7
59.90075	0.7
63.82556	0.7
68.33997	0.7
70.99641	0.9
71.01239	35.4
72.99152	1.9
73.02811	4.4
75.00748	0.7
78.90296	0.7
78.95763	1.6
83.01229	2.2
85.02796	6.0
87.00730	10.3
87.14537	0.7
89.00076	0.9
89.02299	55.6
95.01246	2.0
96.95896	1.1
96.96806	1.3
99.00760	1.4
101.02299	31.1
101.92682	0.7
113.02309	17.9
116.54063	0.7
119.03376	8.0
125.02314	2.6
129.01874	0.7
131.03365	2.9
131.08110	0.8
136.49086	0.8
141.01782	1.5
143.03377	3.8
149.04425	1.8
151.30637	0.8
161.04463	9.2
179.05528	41.2
204.99852	3.9
221.06628	31.7
263.07794	1.2
265.20209	1.0
281.08789	2.7
323.09818	3.7
341.10913	4.5
503.16223	100.0
504.16486	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	563.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	0.7
58.00474	0.7
59.00079	2.0
59.01242	98.4
59.02558	1.2
62.32565	0.4
70.01338	0.6
70.99726	0.6
71.01238	33.1
71.02969	0.5
72.99174	1.3
73.02808	1.2
83.01270	1.2
85.02804	5.2
87.00731	2.1
89.00156	1.1
89.02295	64.8
91.73428	0.9
95.01247	1.9
96.95862	7.3
101.02300	21.6
102.19238	0.7
113.02306	18.9
115.13242	0.5
119.03367	27.9
123.04427	0.6
125.02367	1.0
131.03355	3.0
143.03403	6.5
143.04446	1.0
149.04445	2.4
161.04463	13.5
179.05528	100.0
179.06860	4.4
180.05872	1.0
191.05501	0.5
283.81207	0.5
316.23309	0.6
325.30844	1.0
341.12256	0.7
563.24817	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	563.242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	19.9
61.98703	25.6
72.23991	4.8
74.04951	4.5
91.72813	6.6
120.17365	5.6
142.70111	5.7
215.10837	12.7
229.82375	5.5
232.61708	6.4
233.11781	100.0
233.13846	5.8
245.11923	29.0
251.13080	7.4
267.23386	26.3
274.57407	5.7
301.46359	6.0
304.49484	6.1
361.54443	6.1
363.64636	5.6
394.27518	5.7
563.29657	7.2
586.69226	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	563.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40045	21.3
59.01224	100.0
61.98686	92.7
67.91664	25.9
90.62809	26.3
96.95879	29.0
170.09378	32.2
247.87961	36.2
254.97746	29.5
267.23190	68.9
267.31577	35.4
563.29645	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87357	1.1
59.01241	2.6
61.98704	6.8
68.11057	1.1
82.17773	1.0
87.81342	1.0
94.53493	1.1
107.04890	98.2
107.07861	1.4
108.05279	1.4
109.02839	1.9
125.06057	1.4
127.07435	1.1
133.02846	1.5
135.04414	9.9
137.06001	1.3
149.05966	26.5
151.03883	2.6
153.01785	1.9
158.60214	1.2
163.03590	1.3
172.05022	1.2
173.06053	1.2
175.03941	2.6
177.05486	18.7
179.03406	53.8
179.10727	1.3
207.10545	1.6
217.12311	3.1
219.06578	16.7
233.11823	19.2
259.09869	1.5
260.10373	1.3
261.11313	11.2
297.14853	1.6
354.62283	1.8
469.22513	1.8
510.16937	1.3
527.26538	100.0
528.27142	5.6
563.24316	3.5
563.32526	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	563.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76026	0.4
54.09375	0.7
55.80791	0.4
56.65648	0.4
58.83120	0.4
59.01229	1.9
61.65843	0.9
61.66116	0.5
61.98685	1.4
62.45304	0.4
66.49716	0.7
68.98376	0.4
69.03275	0.4
71.01235	1.9
73.02798	0.6
75.00718	0.4
77.66187	0.4
78.95766	0.6
84.74555	0.4
85.77399	0.4
91.73423	0.5
93.03312	1.7
99.00743	6.3
117.03328	15.4
118.04089	1.7
119.04890	54.7
120.05247	0.6
120.84014	0.5
121.02802	2.6
123.04355	1.2
123.95586	0.5
124.01553	0.9
133.02808	1.3
133.06465	0.5
135.04414	0.5
136.05150	0.5
137.02298	0.5
138.03088	1.0
145.02831	61.5
146.03194	0.8
149.02281	0.7
149.09615	0.9
150.03099	0.6
152.99423	0.8
159.04413	0.7
162.03073	0.5
163.03902	46.1
164.04599	1.4
171.04433	0.8
198.03212	0.6
303.19815	0.6
317.21262	0.5
321.20642	1.2
333.64725	0.5
335.22202	1.2
339.21701	0.6
339.59921	0.5
345.20740	3.1
363.21848	8.1
381.22864	9.0
393.27908	0.8
427.24884	0.6
437.27179	0.5
446.24023	0.9
449.23425	0.7
453.26498	1.7
465.26245	1.7
467.24564	1.2
481.26041	2.2
491.24326	1.2
497.25479	9.3
499.27048	1.5
505.16412	0.7
509.25452	100.0
510.25803	4.1
527.26544	24.6
528.26935	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.25
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	5.8
61.98692	1.7
62.01173	0.6
62.31516	0.7
62.66394	0.6
71.01242	2.1
71.04874	1.2
73.02811	0.7
78.95770	2.0
84.32974	0.7
85.02818	0.9
89.02309	1.6
93.03311	1.2
95.53583	0.7
96.95871	3.0
97.02851	0.7
97.19982	0.8
101.02332	1.6
105.26344	0.8
113.02288	1.1
115.03272	0.7
115.03884	7.3
117.03323	23.3
118.03686	0.7
119.04897	21.2
127.05034	0.9
132.05682	0.8
133.06444	2.2
144.97980	1.2
145.02838	100.0
145.06010	3.9
146.03189	2.0
161.04654	0.8
161.05930	4.3
163.03908	29.8
173.04463	1.5
177.05490	2.1
193.15930	0.9
205.04918	5.7
235.06093	2.2
237.15074	1.3
265.07263	3.8
307.08331	3.0
417.21365	1.7
563.24963	31.8
564.25189	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23045	3.8
57.54263	4.1
59.01237	19.0
61.91191	3.8
61.98690	10.7
70.79494	4.2
74.41537	3.8
74.62704	4.7
75.85261	4.0
78.95789	6.9
89.02328	10.0
94.64648	4.5
96.95863	18.8
112.91645	4.6
113.95000	4.7
117.03384	6.3
119.04911	14.0
145.02878	28.2
145.06071	14.8
146.06386	7.4
155.07050	6.2
163.03865	7.5
167.10643	11.2
183.65463	5.2
199.50024	5.1
217.34535	5.0
249.18475	7.1
253.09241	25.9
257.02914	5.7
267.19659	100.0
279.56070	4.9
528.67981	5.4
563.25970	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	563.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32899	1.4
52.66742	1.8
59.01241	11.1
60.25454	2.0
61.98689	13.0
66.10926	1.8
66.99860	1.6
71.01242	3.9
72.45786	1.8
84.94964	4.9
85.02808	1.9
86.91663	2.0
91.73402	2.2
96.95864	25.1
100.07533	1.7
101.02326	2.8
101.40337	2.1
103.86272	2.0
108.40685	2.0
111.04389	2.5
117.03330	24.6
117.04100	3.0
119.04907	14.9
133.06445	3.1
134.77402	1.9
145.02838	100.0
145.06046	6.3
146.06459	2.1
161.05991	6.7
163.03909	30.6
177.05457	3.3
205.04999	8.6
223.58481	2.1
226.80653	2.2
235.06015	4.2
240.27524	2.0
253.09233	2.4
265.07184	6.4
267.19666	5.0
291.19608	8.9
306.26508	2.6
328.16217	2.3
394.25162	2.5
397.41046	2.4
406.26837	2.4
534.97003	2.5
540.05469	2.2
563.25208	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.0208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98139	0.9
57.64193	1.0
59.05738	0.8
72.99158	2.8
82.09311	1.1
87.92381	14.7
90.94728	5.9
93.03324	4.0
96.95885	2.0
103.91885	30.7
104.92670	10.0
105.93491	1.5
106.04090	6.1
106.94238	4.0
107.04903	4.7
108.02026	1.8
114.94688	1.5
117.03339	2.7
119.04915	2.4
121.02830	11.6
123.94515	8.5
128.92709	1.6
130.04091	1.0
130.94249	9.5
133.02861	2.7
134.03619	3.6
135.04427	2.0
145.02823	2.4
147.04416	5.5
148.05203	1.8
149.06041	1.5
157.92981	7.6
158.93762	1.7
162.03165	4.9
168.74637	1.1
175.03871	5.9
175.94041	2.5
177.97112	1.3
189.00024	2.5
190.98009	3.9
194.97444	4.6
195.98187	3.1
203.98581	1.5
206.97408	2.2
208.99109	1.3
216.99699	2.0
219.98293	4.0
220.99020	3.6
221.45583	1.2
230.98601	2.0
234.96994	3.3
235.00673	1.6
236.98573	6.9
239.00185	1.3
244.99081	3.3
247.97777	1.9
248.98610	2.9
249.95766	4.3
250.96466	4.3
251.97255	3.1
253.98921	2.6
255.05113	1.3
263.00006	2.0
263.97293	16.8
264.98038	22.5
265.08447	1.2
265.98584	1.3
281.98334	6.1
288.98062	45.9
289.98163	1.6
293.98529	1.2
302.99503	1.6
306.95654	1.4
308.97110	7.0
309.97650	1.5
320.96869	1.5
321.97617	2.4
325.97266	6.4
326.98026	3.1
341.01273	3.7
346.98688	1.5
354.02023	4.6
381.96304	3.1
382.97009	4.3
383.02142	6.1
383.97809	8.8
386.04510	1.5
395.02151	5.1
399.01834	1.2
412.02655	8.8
412.99603	3.0
427.01163	1.3
440.02011	100.0
441.02417	6.4
444.01944	1.3
489.01208	12.2
511.36041	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.5
61.97375	1.8
61.98691	100.0
61.99821	1.3
62.79964	0.2
63.60974	0.2
64.96091	0.2
73.86562	0.2
96.95885	0.5
115.99039	0.2
121.02820	0.3
128.03442	0.3
128.11649	0.2
133.91588	0.2
134.86209	0.2
145.02815	0.3
265.18222	0.6
266.18588	0.7
267.18939	0.4
564.30066	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04209	0.5
65.19344	0.5
72.24055	0.6
73.02780	0.6
78.93888	1.4
78.95759	100.0
79.22582	0.7
80.37305	0.6
82.80606	0.6
84.75371	0.6
86.24423	0.6
87.48328	0.6
94.28239	0.6
96.95901	6.8
96.96819	39.4
107.05000	0.7
111.01865	10.5
115.00353	0.7
117.01796	1.2
117.98818	0.6
120.96835	1.4
138.97876	3.7
142.40685	0.7
150.97899	3.8
158.92429	18.0
174.97910	1.1
176.93587	1.1
192.99019	1.2
204.99840	1.3
208.18707	0.6
211.00049	5.7
241.01147	11.7
255.05052	1.2
272.95795	6.2
275.71808	0.8
280.02267	2.4
305.01874	1.1
308.86221	1.7
320.97855	2.4
323.02872	69.6
324.03250	0.8
384.98587	5.5
402.99350	2.0
474.38086	0.9
552.51312	0.7
565.04822	28.3
566.04779	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0484
Annotation	UDP-glucose
Peak:m/z	Relative Intensity
59.01229	1.2
66.00677	0.8
66.60308	0.9
68.98384	0.8
71.01221	2.7
72.98840	0.8
72.99157	5.2
73.02808	1.2
73.09601	0.8
78.93938	1.9
78.95760	100.0
83.42461	0.8
87.34871	0.9
88.54770	0.8
89.02313	1.9
92.78193	0.9
94.55205	0.9
96.95857	2.7
96.96819	42.6
96.98972	1.1
105.24057	1.0
111.01872	8.6
112.98711	1.0
115.00214	1.2
120.96828	1.7
138.97923	2.5
142.18854	1.0
150.97905	3.2
158.92438	16.1
174.69408	0.9
192.98964	1.2
204.99849	7.2
211.00095	5.9
241.01190	9.8
272.95700	5.5
280.02328	2.1
308.86316	1.2
320.97882	2.7
323.02847	68.6
384.98563	5.5
416.89642	2.0
430.20264	1.0
504.16702	1.4
565.04779	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	565.0477
Annotation	UDP-D-galactose
Peak:m/z	Relative Intensity
52.54985	0.4
57.10962	0.4
57.15722	0.5
59.01239	0.7
62.96257	0.7
67.91127	0.4
71.01244	0.4
78.93804	1.0
78.95761	100.0
78.97527	1.0
84.56056	0.4
87.00728	1.1
96.96822	40.4
96.99241	0.7
98.68031	0.4
101.02289	0.8
102.67928	0.4
104.94205	0.5
107.69405	0.4
111.00726	0.5
111.01874	9.8
115.00358	0.5
115.45045	0.4
118.67959	0.5
120.96845	2.0
122.98839	0.4
138.97916	4.1
150.97954	4.3
158.91127	1.0
158.92433	18.7
162.97949	0.5
174.97942	1.0
176.93529	1.1
191.05595	0.8
192.99016	1.6
201.36400	0.7
211.00073	6.4
217.68480	0.6
223.04620	1.3
241.01155	8.9
259.02228	0.9
272.95770	5.9
280.02307	2.4
305.01895	1.0
308.86197	1.7
320.97827	4.1
323.02869	65.7
324.03174	1.3
384.98480	4.8
402.99298	1.6
417.24988	0.6
565.04840	27.4
584.12482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92318	0.3
59.01255	1.0
61.57119	0.4
61.98705	0.7
63.02256	0.6
65.00187	2.4
67.94872	0.3
78.95773	1.0
83.01257	0.9
93.03329	2.3
93.17639	0.4
104.41620	0.3
107.01250	2.3
117.03327	11.9
119.04926	1.3
121.02847	1.0
132.73543	0.4
137.18344	0.7
137.19421	0.7
143.56357	0.3
145.02823	2.7
146.03233	0.5
149.99437	0.4
151.00250	4.8
161.02293	0.5
163.03917	0.6
165.01828	1.7
174.01579	0.9
191.85350	0.4
247.04166	0.4
249.01907	0.7
267.03165	0.5
301.05002	0.7
305.04492	0.9
306.05286	0.8
315.06525	0.6
316.03854	0.6
317.04501	0.9
318.05081	0.4
320.06717	0.9
322.04922	1.3
329.04727	1.9
330.05249	0.8
331.06097	1.9
332.06799	0.5
342.05402	0.6
343.06131	1.0
344.06979	0.4
345.03983	3.8
356.03467	2.1
357.04211	1.9
360.06146	0.6
366.05225	0.5
367.06253	2.7
368.06491	0.5
371.05716	4.3
373.03787	0.8
374.04358	8.0
375.04999	1.0
387.05283	0.6
388.05893	13.1
389.06693	8.7
397.03317	0.5
398.04373	2.3
400.02304	4.8
401.02969	3.4
403.08267	5.2
412.05768	1.2
413.06665	2.1
415.04605	14.2
417.07932	0.6
427.08151	1.1
430.06824	1.7
433.06949	1.0
434.07904	0.7
445.09360	3.6
446.08307	1.4
456.04758	0.9
461.06180	0.7
465.09961	0.7
471.07355	5.4
473.06558	0.7
474.07489	0.6
489.05884	0.6
490.07059	1.0
501.06210	2.4
505.09412	0.6
517.05566	8.1
518.06458	6.1
519.07178	2.5
533.08807	63.2
534.08966	2.6
549.08429	0.8
550.05212	1.6
564.36517	1.3
565.11432	100.0
566.11737	4.6
577.08124	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1142
Annotation	Isoginkgetin
Peak:m/z	Relative Intensity
50.00404	0.4
50.71781	0.4
59.01263	0.9
61.98697	0.9
70.28650	0.5
83.01249	0.6
107.01244	0.6
116.20645	1.2
116.21531	1.0
117.03321	1.7
119.04895	7.3
121.02848	0.5
129.17448	0.5
130.04153	0.7
145.02803	3.7
149.05934	0.6
151.00272	1.1
158.03665	3.1
163.03894	6.8
165.01880	1.2
168.53674	0.4
173.05963	5.9
175.03874	0.5
191.64255	0.5
217.05013	1.6
245.66603	0.5
276.04498	0.7
289.05069	0.5
290.05716	0.5
291.06400	0.9
301.05099	1.0
302.05984	0.9
305.04385	0.5
306.05396	5.6
317.04523	1.4
318.05487	2.9
319.06125	2.5
321.07721	4.6
329.04556	0.7
330.05353	23.8
331.05826	1.1
332.03375	0.8
345.07672	17.5
346.08084	0.8
347.05563	3.5
374.04337	28.3
375.04868	1.9
388.05936	1.2
389.06686	89.5
390.07025	3.8
398.04068	0.7
413.06641	1.8
486.32529	1.1
487.32663	1.0
507.29504	2.6
509.25607	1.8
511.26227	0.6
532.42419	0.5
565.11420	100.0
566.11761	7.1
566.25574	0.7
580.56921	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70048	0.2
56.81794	0.2
61.56858	0.3
61.57129	0.2
63.02263	2.3
65.00186	9.3
65.62239	0.3
66.71841	0.3
83.01234	3.7
101.04733	0.3
107.01247	10.5
111.66127	0.3
116.80701	0.3
117.03323	5.8
118.31115	0.3
119.04897	0.4
119.39464	0.5
121.02867	0.4
137.18330	0.5
137.19391	0.6
139.03940	0.3
145.02834	1.0
151.00255	18.3
158.95290	0.3
163.03902	0.3
165.01923	0.3
169.78285	0.4
249.01917	0.7
255.64705	0.3
288.04172	0.3
301.05234	1.0
305.04498	0.6
306.05188	1.5
315.06403	0.3
316.03708	0.3
317.04544	4.6
318.05331	1.7
328.03915	0.4
329.04462	2.2
330.05389	1.8
331.06009	0.6
332.03397	0.4
333.04242	0.5
342.05273	0.6
343.06174	0.8
345.04111	1.1
345.07895	0.4
346.04828	1.1
356.03333	1.1
357.04074	4.9
366.05289	1.5
367.06021	1.7
371.05511	2.1
373.03613	0.8
374.04330	39.2
375.04822	1.8
381.07932	0.6
388.05820	0.8
389.06705	32.3
390.07123	0.9
391.05722	0.5
398.04288	2.2
399.05063	0.4
400.02264	2.8
401.03058	8.9
402.03265	0.5
405.07870	0.4
406.08563	0.4
411.05374	0.6
413.06686	2.5
415.04626	4.9
417.07932	0.7
433.07089	1.3
437.10028	0.4
445.07449	0.7
446.07947	0.6
447.08398	0.5
449.06528	0.4
450.07809	0.3
451.08661	0.6
461.06686	1.2
462.07434	0.9
464.05200	0.4
465.09695	0.8
473.06857	0.5
474.07291	0.8
489.06079	1.0
490.06744	1.7
501.06116	3.4
505.09387	0.5
517.05615	8.3
518.06390	8.6
519.07294	3.3
533.08813	69.9
534.09277	3.4
550.05151	1.9
565.11426	100.0
566.11865	5.0
577.07709	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64508	0.5
59.00118	1.6
59.01244	100.0
59.02515	1.2
62.33067	0.4
62.71865	0.5
71.01271	0.8
72.99167	1.2
78.95818	0.5
89.02326	1.1
90.36201	0.4
91.72714	0.6
93.03345	0.8
93.50159	0.4
96.95879	3.6
101.02327	1.0
108.30968	0.5
113.02376	0.7
116.92760	1.8
119.03458	0.7
121.02851	0.9
125.02322	1.2
136.27675	0.6
137.02298	0.7
144.45354	0.5
151.03940	0.9
163.00374	0.6
165.01865	1.2
167.03438	1.3
172.28104	1.7
179.03392	2.8
213.77545	0.6
220.13127	0.6
225.05678	1.2
253.05104	1.6
254.05928	0.9
264.87918	0.5
271.06247	1.3
281.04633	1.2
284.07065	1.3
285.07904	2.5
299.05591	1.2
300.06500	0.9
312.06342	3.7
313.07199	7.7
343.08258	48.9
344.08643	1.8
367.01199	1.0
565.25116	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03440	0.4
57.03308	1.8
59.01224	0.7
60.23302	0.4
61.98685	2.4
63.02253	1.3
65.00186	2.6
71.63040	0.6
71.63389	0.7
81.50163	0.5
83.01235	1.9
93.03316	1.9
96.95837	0.6
107.01266	2.7
107.04870	0.7
109.02848	1.3
111.00770	1.0
113.77343	0.5
119.01262	1.1
121.02815	3.6
123.04350	0.7
124.01529	1.1
125.02312	16.0
126.51381	0.5
127.09312	0.5
128.49953	0.5
133.02856	0.6
135.04393	1.2
135.39693	0.6
137.02339	1.8
139.03960	0.6
145.02858	1.7
147.00673	0.8
147.04387	1.0
149.02298	4.4
151.00247	8.9
152.01054	1.8
153.01826	0.8
159.04379	2.2
163.03925	2.5
165.01828	1.0
167.05035	0.5
169.01358	0.7
171.04445	0.9
173.02383	0.8
175.03972	0.7
177.01799	0.8
177.05363	0.6
178.99756	3.7
183.04474	2.2
185.05902	0.6
187.03958	3.4
189.05475	1.0
191.03416	1.8
199.03951	1.1
200.94420	0.6
201.05542	1.6
205.05061	0.7
211.03984	1.8
215.03430	3.2
227.03476	3.8
229.05023	2.2
245.04544	1.1
255.02950	3.0
261.11234	0.9
272.03333	0.5
273.04074	28.9
288.02792	1.3
301.03552	100.0
302.04007	1.6
399.28146	0.6
507.71649	0.7
565.17273	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	565.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64926	0.4
55.43263	0.3
59.01240	0.8
61.98702	1.2
65.55388	0.7
65.55701	0.4
66.78517	0.3
78.41505	0.4
81.03340	0.5
83.84670	0.4
96.04133	0.4
96.95935	0.4
102.87867	0.4
107.04883	0.7
108.10662	0.4
109.02822	1.9
119.04945	0.5
121.02852	0.6
122.82145	0.4
123.00754	0.7
124.01567	0.7
125.02314	1.2
130.84059	0.4
132.01991	0.5
134.03639	0.5
134.09012	0.4
135.04413	0.4
137.02321	14.5
138.03098	4.4
145.02824	1.0
150.03119	19.0
151.03900	7.5
152.01033	0.5
161.02368	1.7
162.03125	25.0
163.03864	3.0
165.05463	14.3
175.03934	1.4
177.05479	5.0
178.02596	0.7
179.03400	5.4
179.07043	0.4
180.04192	59.0
181.04581	0.6
183.41473	0.4
187.11200	0.5
188.97990	0.4
193.05074	0.7
194.99452	1.1
195.06555	100.0
196.06889	1.1
206.05792	0.7
212.04684	0.4
259.09781	1.6
325.22195	0.4
327.08746	2.8
341.10428	0.6
355.08206	4.9
356.09033	22.1
370.10443	1.2
371.11380	34.4
372.11331	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	1.2
58.24586	0.7
59.00075	2.2
59.01242	100.0
59.02530	1.4
71.01250	2.0
72.99176	0.8
73.02792	0.8
79.09411	0.7
85.94950	0.6
91.73319	1.5
93.03349	1.9
96.42106	0.7
96.95866	2.9
101.02322	1.5
106.91500	0.7
109.02840	2.1
114.62088	0.7
119.00881	0.8
119.04907	1.1
135.43883	0.8
137.02330	0.9
147.04359	1.1
149.05933	1.4
151.07515	0.9
153.01833	2.3
160.89291	1.0
161.04417	1.3
163.18480	0.8
165.05470	22.4
167.07033	0.8
172.26804	1.3
193.04971	2.4
207.13745	0.8
209.04459	1.1
226.06364	1.1
254.05814	5.3
285.11325	1.4
312.10153	1.1
313.10870	11.6
343.11893	52.9
344.12131	1.1
354.98660	1.0
359.17337	1.2
410.81030	0.9
505.22852	3.3
558.63977	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05566	2.4
57.03317	4.4
59.01241	89.2
60.07692	2.3
60.43565	2.4
61.98676	6.0
81.03294	4.7
88.98685	3.3
93.03316	8.8
97.02855	4.9
99.04381	5.9
108.02012	6.5
109.02797	15.4
111.04365	9.2
112.39375	3.3
116.56210	2.7
121.02814	6.8
122.03622	3.4
123.00730	8.2
123.04388	4.2
124.01517	6.8
125.02322	34.2
134.03630	7.0
135.04395	15.4
136.05229	3.8
137.02316	20.1
138.03111	13.1
138.58942	3.0
139.03918	16.0
147.04370	4.6
149.02359	5.0
150.03156	6.4
151.03889	3.9
151.52408	2.8
153.01866	2.9
155.97826	3.2
158.44987	2.9
159.04358	3.7
159.24492	3.3
161.02412	4.1
162.03119	82.4
163.03835	15.8
164.01059	9.0
164.04756	4.6
165.01843	18.9
167.03441	9.5
174.43968	2.7
175.03914	8.2
177.01871	12.2
177.05492	100.0
178.02530	5.1
179.03429	9.8
180.04242	4.4
193.04871	5.9
194.05782	12.0
200.75719	3.0
203.03452	6.5
219.06630	9.4
221.04553	12.6
223.07530	7.3
237.07603	29.7
239.07173	6.2
240.07928	8.8
251.07143	8.2
252.07991	4.3
298.08435	10.5
310.08551	9.4
313.10812	60.7
313.14136	5.6
317.71713	3.2
323.16498	7.9
325.10800	66.6
343.11938	5.4
367.15753	8.1
379.15598	5.6
407.14679	7.6
421.16745	5.1
459.16589	11.7
475.17871	13.0
487.17697	12.5
503.20636	6.8
535.19653	13.5
547.19800	81.3
548.19702	6.1
565.23096	18.3
566.20465	3.6
588.67566	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	565.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92262	0.2
55.70487	0.2
59.00055	1.8
59.01241	100.0
59.02550	1.4
60.01579	0.6
75.00735	0.3
78.91742	0.5
91.73399	0.4
96.95899	0.6
104.19016	0.2
104.90351	0.2
121.02832	0.3
154.26328	0.2
181.05302	0.2
269.08157	1.9
283.09897	0.6
299.09219	1.3
311.09296	1.7
314.11618	2.6
326.11615	1.6
329.13977	7.7
341.13910	4.1
341.17517	0.2
343.15683	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02203	0.9
57.03316	56.6
57.04580	0.7
58.00465	0.8
59.00079	1.8
59.01242	92.3
59.02530	1.2
69.03313	1.4
71.01239	30.0
72.20850	0.6
72.99147	1.1
73.02803	8.8
78.95754	0.9
81.03322	2.4
83.01241	5.5
85.02804	10.5
87.00748	1.8
89.02296	17.7
95.01250	1.5
95.34270	0.6
97.02821	2.0
99.00753	3.2
99.01846	0.9
99.04375	66.9
99.07212	0.8
101.02301	32.3
111.00752	2.8
113.02303	12.1
113.03078	0.7
124.01573	1.8
125.02312	38.6
127.11121	0.9
128.57677	0.7
129.01797	0.9
131.03372	10.0
131.47658	0.8
142.77455	0.8
143.03372	5.3
149.04445	2.6
150.73399	1.8
159.02881	1.7
161.04469	7.0
191.05560	1.3
198.43298	0.7
215.05626	0.8
233.06805	1.1
257.57675	0.7
287.22305	5.1
289.16525	7.2
293.08755	1.3
329.23111	0.8
403.19791	8.2
421.20822	100.0
422.21283	2.8
431.26556	10.3
449.27548	2.6
463.21838	10.2
473.27640	7.7
491.28781	3.5
565.25049	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	565.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56091	0.4
56.80540	0.5
57.02234	1.3
57.03316	59.6
57.04509	0.9
57.20215	0.4
59.00109	1.3
59.01241	82.1
59.02511	1.3
59.72601	0.5
61.86063	0.5
69.03316	1.0
71.01237	28.0
71.80197	0.5
72.99167	1.2
73.02803	8.2
81.03318	2.1
83.01231	4.4
83.01669	0.6
85.02803	10.8
87.00739	1.9
89.02297	17.5
89.02846	1.1
95.01251	0.8
97.02841	2.7
99.00744	3.4
99.01941	1.0
99.04372	65.8
99.07126	0.8
100.04716	1.0
101.02296	34.7
111.00778	2.7
111.01399	0.5
113.02303	10.8
115.03900	0.8
119.03391	0.7
124.01529	0.7
125.02313	37.6
127.03887	0.6
127.11137	0.7
129.01852	0.8
131.03369	8.2
135.60901	0.5
142.77522	0.7
143.03378	5.7
149.04454	3.0
150.73473	1.4
159.02881	1.9
161.04451	6.4
173.04500	0.8
191.05516	0.8
215.05527	0.8
217.81952	0.7
233.06699	1.2
275.07681	0.7
289.16565	9.4
293.08618	0.7
299.33939	0.6
312.21567	0.6
373.29953	0.9
403.19684	6.7
421.20822	100.0
422.21127	3.0
463.21927	12.1
565.24957	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	565.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	21.3
61.98690	100.0
84.50837	9.6
117.09853	9.9
122.90279	10.1
137.64302	9.7
161.98488	10.4
194.67757	13.0
203.07719	11.1
209.90489	15.2
224.92857	13.0
233.12006	17.9
245.11946	47.6
247.13390	12.0
283.15512	74.3
408.94620	12.1
529.27905	54.3
552.24738	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	565.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60091	20.8
57.03310	18.2
57.89175	22.2
57.89709	20.8
59.01263	25.2
60.40214	21.2
61.98703	85.9
65.41298	24.2
71.71432	23.5
77.05724	21.8
96.95882	53.2
106.01589	26.0
106.73792	23.5
127.69108	24.0
179.03311	30.3
195.06805	29.0
217.12268	68.5
233.12022	29.9
245.11876	56.3
247.13512	35.9
261.11630	40.0
283.15652	48.2
483.31189	30.5
529.27979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27068	6.4
55.46563	5.7
59.01238	12.6
61.98684	30.5
72.88183	5.2
75.64019	5.5
76.80864	6.6
80.76332	5.9
84.86838	5.7
91.02225	6.7
107.04847	6.1
125.28855	7.6
133.06448	6.7
186.39084	7.3
217.12248	11.9
233.11812	12.1
244.11121	29.6
245.11768	18.3
247.13628	8.8
272.80429	7.6
283.12848	7.1
283.15631	30.7
348.45782	7.6
417.05280	8.4
529.28186	100.0
565.25330	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	565.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.58308	18.7
61.98680	83.2
62.06229	18.4
67.10981	20.8
72.03270	20.2
72.88039	20.2
75.71408	22.7
86.13979	25.7
91.20525	26.5
112.90186	26.4
123.82688	21.7
134.93764	22.6
139.61067	26.8
141.75052	25.3
224.30870	27.1
233.11835	42.0
239.36023	26.0
261.11356	90.0
382.72214	25.8
487.55975	29.7
505.22449	100.0
512.09479	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57925	1.1
59.00088	1.5
59.01241	100.0
59.02505	1.3
61.98692	55.2
66.69778	1.1
66.79102	1.1
71.00878	1.6
71.01241	26.8
71.04876	9.1
73.02804	30.3
81.03303	7.2
83.01247	9.1
85.02792	8.7
87.00709	3.6
89.02298	14.6
97.02816	3.7
99.00760	1.5
99.04376	2.7
101.02302	35.4
105.01826	1.7
113.02306	17.9
115.03872	48.2
119.03365	7.1
125.02300	4.1
131.03366	1.7
139.11177	3.5
143.03351	4.4
149.04456	4.2
154.49115	1.3
161.04430	12.1
161.05667	1.7
175.14838	3.5
179.05496	2.3
191.05550	3.0
193.15916	22.0
219.13857	3.4
237.14934	26.5
255.16035	14.2
279.16110	1.6
297.16946	3.5
361.27490	4.6
362.27823	3.0
399.20248	45.7
409.47128	1.4
417.21347	17.2
459.22375	40.9
505.31747	5.5
506.31976	3.8
523.33057	7.4
524.32996	5.6
529.93835	1.3
565.33618	2.6
566.33374	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	567.0937
Annotation	Ridiculuflavone D
Peak:m/z	Relative Intensity
55.18178	0.3
59.01237	0.5
61.98698	0.5
65.00193	0.8
71.01248	0.3
81.73158	0.3
83.01230	0.5
88.03930	0.3
88.98680	0.5
93.03311	3.0
96.95855	0.4
107.01270	0.9
114.27579	0.3
116.55077	0.6
117.03331	10.9
118.97260	0.6
118.98070	0.6
128.75948	0.2
130.08887	0.3
133.02896	0.4
135.04445	0.3
138.62735	0.4
145.02896	0.5
151.00258	2.5
159.04416	5.0
161.02374	0.8
166.28465	0.3
176.89267	0.3
203.03394	1.4
238.02660	0.5
265.05276	0.4
289.05124	1.3
290.06030	0.5
292.03787	1.6
293.04565	1.0
294.05328	0.4
304.03928	0.4
306.05365	1.8
316.03574	0.5
317.04465	1.5
318.05420	2.0
320.03116	0.4
321.04138	1.0
322.04785	2.9
324.02933	0.5
331.06183	0.5
332.03580	0.3
333.04059	1.1
334.04898	2.9
335.05521	0.7
337.07190	1.0
339.05194	0.4
345.04117	0.5
346.04858	14.2
347.05432	0.7
348.02863	0.9
358.04562	0.6
359.05771	0.5
361.03433	2.1
361.07260	5.5
362.04346	2.5
363.05054	2.1
374.04031	0.4
375.04977	1.6
385.03564	0.4
386.03995	0.4
387.05136	0.4
388.06125	0.8
389.03122	1.4
390.03851	52.3
391.04333	3.3
392.97253	0.3
405.06195	48.5
406.06638	1.3
413.02942	1.4
414.03864	5.5
415.04330	0.5
416.01852	2.6
417.02643	2.2
429.06171	7.8
431.03979	2.3
432.04886	4.9
447.07248	13.8
448.07925	0.7
458.02789	0.6
466.07352	0.4
473.05222	3.8
488.21094	0.3
535.06836	1.7
552.07068	1.9
567.09375	100.0
568.09778	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	567.1297
Annotation	2,3-Dihydroisoginkgetin
Peak:m/z	Relative Intensity
50.68848	0.2
52.64897	0.2
53.59940	0.2
56.15205	0.2
57.03306	0.4
59.01241	0.3
65.00190	2.9
74.20509	0.3
74.40622	0.2
78.91740	0.3
80.91534	2.7
81.03304	0.5
83.01249	3.1
107.01246	3.1
108.02070	0.5
117.03342	2.9
124.01480	0.6
124.63593	0.2
125.02302	2.3
145.02856	0.4
150.99100	0.5
151.00253	5.8
156.12804	0.3
161.53282	0.3
163.24413	0.2
164.01021	0.7
173.06004	0.5
177.01796	0.4
207.04475	1.7
219.12489	0.3
224.04741	10.1
225.05473	1.0
225.33263	0.3
237.05603	0.7
238.06291	0.3
239.07121	4.9
245.06032	1.3
247.03973	0.5
248.04698	1.8
249.01930	0.5
249.05524	0.8
249.18597	1.5
250.02731	0.3
251.03490	6.8
259.07523	0.4
261.05573	1.2
262.06464	1.4
263.07117	1.2
264.04214	0.8
265.05060	1.0
266.05841	0.9
268.03952	0.4
271.04068	0.3
272.04782	0.7
273.05609	3.9
275.03522	1.5
275.06485	1.0
277.18625	0.3
281.08203	0.9
287.07211	1.7
288.04294	0.8
289.05115	3.4
290.05862	3.9
292.03723	0.6
293.04590	0.9
299.06891	0.3
301.08820	0.3
303.06631	0.6
304.07373	0.7
305.05096	0.2
305.08200	4.7
307.06204	1.2
311.06723	0.3
315.03061	0.6
315.06601	1.0
317.04456	2.1
317.07465	0.3
323.09448	0.4
327.06055	0.3
329.08276	0.6
331.06082	3.0
331.18524	0.6
332.06985	3.4
339.06525	0.3
347.09262	2.6
349.08093	0.3
351.06363	0.4
355.09970	0.3
356.06754	0.5
357.07458	0.3
359.05603	1.0
363.16461	0.5
366.05185	0.3
367.06070	3.6
368.06946	3.5
369.07703	5.6
371.09128	0.3
373.07202	0.7
375.04993	0.5
376.05807	0.6
380.06775	0.5
381.07751	0.7
383.09341	3.8
389.08109	0.5
391.07172	0.6
392.06873	0.5
393.07565	1.5
395.05814	1.6
400.05585	0.3
401.10455	1.3
405.07675	1.5
406.08475	2.3
407.09445	1.9
408.06198	0.5
409.06894	0.7
410.07999	0.9
411.08661	0.8
415.11978	6.2
417.07413	1.2
419.09216	1.0
420.10110	0.6
421.10641	1.1
423.08777	0.8
425.10254	1.9
427.08398	0.5
431.09311	0.5
433.07175	2.2
434.07999	1.9
435.08585	1.0
437.06534	0.9
447.08829	0.5
448.09457	0.6
449.10370	7.2
450.10941	0.4
451.08188	1.7
457.12607	0.4
458.54639	0.3
459.08798	0.5
463.11810	0.5
467.11163	1.1
475.08267	1.2
476.09146	0.8
477.09836	1.1
481.12988	5.3
483.10812	2.1
491.11426	6.0
499.14066	0.9
507.24246	0.6
523.13928	5.9
535.10284	2.3
567.13013	100.0
568.13293	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	567.1299
Annotation	2,3-Dihydroisoginkgetin
Peak:m/z	Relative Intensity
50.31691	0.6
52.32546	0.5
57.18798	0.5
58.84055	0.4
65.00166	0.8
73.56536	0.7
75.78884	0.5
84.70984	1.2
84.71511	1.0
91.78639	0.4
96.95863	0.9
110.55274	0.5
117.03269	0.8
118.35156	0.6
127.05426	1.2
130.04128	0.6
134.03606	0.7
145.02814	1.3
149.05956	1.4
155.04897	1.3
157.06477	3.8
158.03612	2.4
160.01529	0.8
165.01845	3.6
173.05984	6.1
175.03918	2.4
181.06505	33.7
183.04408	5.5
207.04437	0.9
217.05031	3.0
224.04723	1.1
225.05534	100.0
226.05852	1.1
249.05530	2.4
251.03496	8.4
312.97375	0.6
333.11545	0.8
347.09134	1.7
357.11368	1.1
369.07263	1.0
373.07214	1.2
391.08237	10.4
401.10318	47.8
402.10867	1.0
427.08347	2.5
492.07175	0.7
510.25696	0.8
567.12982	64.7
568.13220	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	567.1875
Annotation	Bistratamide B
Peak:m/z	Relative Intensity
52.98203	0.3
54.06104	0.4
57.70657	0.3
59.01242	25.9
59.02441	0.6
61.41386	0.4
61.98692	3.6
79.56875	0.4
84.94975	0.5
85.63134	0.8
91.72686	0.4
91.81352	0.7
91.81857	0.5
93.21082	0.4
93.91534	0.4
96.95873	0.4
108.02032	0.5
108.91985	0.4
121.02765	0.4
123.04401	0.5
125.02303	0.7
128.58774	0.5
134.26913	0.4
135.04411	0.4
136.01610	0.9
137.02339	1.1
146.03607	1.3
147.04446	0.5
148.05098	0.5
149.02327	0.8
151.03894	1.1
153.01747	0.5
157.06503	1.6
161.04498	0.4
161.05939	0.6
163.03929	0.6
164.04706	0.6
165.05499	0.5
172.05190	0.4
173.05962	0.5
175.03949	0.5
177.01857	0.7
179.03416	0.6
183.04352	0.5
185.06021	2.4
187.03935	1.2
193.04959	0.8
195.06615	0.6
200.04855	0.9
201.05486	2.2
211.03951	1.3
212.04764	0.6
213.05367	1.9
214.02715	0.6
215.03523	0.5
215.06989	0.7
216.07768	0.6
219.06654	0.5
225.05421	0.5
227.03520	1.1
228.04259	4.7
229.05032	27.5
230.05408	0.6
231.02921	0.5
239.03522	1.6
240.04233	1.1
241.05029	1.4
242.02231	1.4
243.06540	2.8
244.03778	2.5
244.07385	1.4
254.05942	1.3
255.03145	0.5
255.06570	1.4
256.03763	3.5
257.04553	40.2
258.04965	0.9
259.06100	6.0
269.04575	0.9
270.05533	0.9
271.06143	13.3
272.06903	26.1
273.07452	1.4
285.07684	0.8
286.05499	0.5
286.08481	2.4
287.05972	0.6
287.09250	4.9
297.03897	0.5
301.07333	0.8
301.10620	1.2
304.05893	25.2
311.09238	1.3
312.06290	0.5
313.07004	2.2
315.05231	0.9
318.07507	2.5
323.09479	0.5
329.06659	1.9
330.07458	8.3
345.09814	40.6
346.10181	1.2
371.34598	0.5
507.16592	2.1
531.29041	0.6
567.18719	100.0
568.19061	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	567.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26426	0.7
51.15540	0.7
56.12535	0.8
57.03315	0.8
59.01241	2.5
60.96240	0.9
61.98679	1.4
71.01226	1.3
72.69008	0.8
85.97958	0.8
93.03316	2.2
95.01281	1.5
95.04896	1.1
96.95930	0.9
101.02317	1.5
107.04869	1.9
108.02026	3.2
109.02827	9.5
116.92737	1.3
117.03297	1.0
118.96820	1.6
119.04838	1.1
120.02017	2.9
120.99455	0.8
121.01976	1.2
121.02808	7.2
122.03603	3.3
123.00729	2.4
123.04350	4.9
124.01546	6.3
125.02312	3.1
131.01276	1.4
132.02010	4.8
133.02817	3.7
134.03609	18.9
135.04407	5.6
136.01552	5.4
137.02330	6.2
138.03113	2.0
139.00250	2.9
139.03893	4.1
140.01016	1.2
145.02834	3.7
146.03618	46.0
147.00780	1.4
147.04416	4.4
148.01543	9.3
149.02324	22.9
149.05959	15.7
150.03107	32.0
151.00252	2.9
151.03886	28.4
152.01030	17.6
153.01805	1.9
153.05411	2.2
159.00740	1.0
159.04385	1.2
160.01552	8.3
161.01163	1.3
161.02365	9.2
161.05977	18.3
162.03123	40.9
163.03893	23.3
164.00952	1.1
164.04684	34.2
165.01823	1.9
165.05466	27.5
166.02625	7.0
166.05725	1.1
167.03395	25.7
174.03085	1.6
175.00259	2.0
175.03926	13.1
176.01062	21.8
176.04654	2.2
177.01843	10.3
177.05482	18.1
178.02631	19.6
179.01096	1.6
179.03429	52.3
179.07039	96.1
179.13760	1.1
180.04193	65.1
180.10960	1.0
181.04971	11.7
182.66982	0.9
188.04683	1.3
189.05577	1.4
190.02618	3.1
191.03406	16.5
192.04187	9.4
193.04976	31.5
194.02139	2.1
194.05771	21.2
195.06555	100.0
195.14188	1.1
196.06892	2.0
205.04930	4.8
209.04477	8.8
211.06123	1.7
217.04958	1.6
235.06046	1.4
240.07797	1.1
263.82025	0.9
283.06064	1.9
285.07794	1.7
295.06055	1.5
296.07028	1.5
297.07941	1.0
298.08435	1.5
312.06012	1.2
313.07278	1.6
313.10718	2.2
314.08035	1.4
325.10782	1.4
327.08820	1.9
328.09860	1.1
329.10248	1.7
342.07434	1.7
343.11935	9.7
354.07111	1.2
355.11893	8.9
357.09818	19.9
369.09723	4.6
371.11472	1.4
372.08481	1.9
373.12982	32.8
374.13666	1.2
387.10876	91.0
388.11639	10.2
389.12485	2.2
403.13846	1.0
519.16602	14.7
537.17706	2.9
549.17871	3.3
567.17908	4.6
567.26398	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87041	0.3
56.16953	0.3
59.01252	0.4
61.98700	0.5
65.70319	0.4
93.03347	0.4
95.93034	0.3
101.79257	0.4
102.24932	0.3
107.04910	0.5
108.02042	1.1
109.02809	1.4
109.53011	0.5
111.00768	0.5
111.45794	0.3
117.03344	0.5
121.02802	0.9
122.78179	0.4
123.00731	0.8
123.04429	0.7
124.01540	1.0
125.02319	1.2
132.02051	0.5
133.02844	0.5
134.03606	0.5
135.04381	0.8
136.01535	9.4
137.02336	5.0
138.03111	1.8
139.03879	0.8
145.02866	0.9
146.03625	1.0
149.02315	4.2
149.05942	0.7
150.03119	14.8
151.03900	18.9
152.01056	1.8
152.04279	0.4
153.01826	0.8
153.05351	0.3
159.04454	0.7
160.05161	0.5
161.02356	1.6
161.05977	0.8
162.03125	24.6
162.08833	0.4
163.00377	0.5
163.03908	3.9
164.04698	1.7
165.01787	0.7
165.05473	10.6
166.02585	0.6
167.03418	2.8
175.03903	2.4
176.01102	0.6
177.01860	1.2
177.05498	6.5
178.02621	1.7
179.03415	7.0
179.07018	2.9
180.04196	60.9
181.04688	1.1
191.03418	0.8
192.04208	0.5
193.04982	2.4
193.66570	0.4
194.05798	0.6
194.99817	1.0
195.06561	100.0
196.06935	1.5
206.05859	0.5
207.06578	0.4
219.06584	0.5
232.60632	0.4
295.09720	0.6
297.07755	0.9
309.07596	0.8
327.12308	0.5
339.12460	0.8
341.63757	0.4
343.11768	0.7
357.09601	2.4
358.10599	6.4
372.12149	0.8
373.12958	26.1
374.13278	0.8
387.11005	0.6
464.28787	0.4
475.17548	1.6
505.18799	4.6
537.18018	0.5
549.17914	0.4
567.18835	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29707	1.1
59.01240	15.0
77.64831	0.8
79.25027	0.9
81.43355	1.1
84.25604	0.9
93.03337	1.1
96.95853	1.2
107.04887	5.0
108.02072	1.8
109.02821	3.2
121.02805	3.0
122.03617	1.2
123.00764	2.2
123.04417	2.0
124.01595	1.3
125.02304	2.3
134.03598	4.2
135.04396	21.5
136.01537	11.9
137.02335	4.7
137.59450	1.0
138.03122	1.9
145.02885	1.1
147.04321	1.3
149.02301	3.1
150.03114	23.3
151.03897	19.5
152.01064	3.1
153.01839	1.4
161.02325	2.2
162.03113	20.6
163.03902	4.1
165.01926	1.5
165.05466	26.7
167.03397	3.9
172.24619	1.1
175.03838	2.9
176.04749	1.0
177.01831	3.2
177.05476	3.6
178.02641	1.9
179.03384	7.9
180.04195	58.4
189.05519	1.4
191.03429	1.3
192.04170	1.8
193.04973	3.0
195.06552	100.0
195.14595	1.2
196.06999	1.3
221.08234	1.1
282.12231	1.2
310.95123	1.1
343.11978	1.6
344.12360	2.5
345.12888	1.7
357.09650	3.0
358.10623	9.1
373.08136	1.9
373.12933	38.9
373.66113	1.2
374.13116	1.7
405.04385	1.2
459.18164	1.8
489.15646	2.0
519.19971	3.6
531.28845	1.7
567.25397	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	567.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99940	0.2
59.01244	9.5
69.04968	0.2
71.01225	0.2
72.08782	0.2
72.99168	0.2
88.98673	0.3
89.02273	0.3
92.99654	0.2
93.03282	0.3
96.95856	0.4
108.02039	0.6
108.64808	0.2
109.02805	1.4
110.09103	0.2
111.04385	0.5
117.03343	0.3
121.02842	0.7
122.02773	0.4
122.03609	5.9
122.72836	0.2
123.04405	0.3
124.01588	0.3
125.02302	0.3
133.02786	0.4
134.03606	0.3
137.02315	0.6
137.05974	0.5
139.03838	0.3
145.02875	0.2
149.02304	0.3
150.03102	0.7
151.00221	0.4
153.01872	1.2
154.02650	0.3
161.02356	0.3
162.03102	1.0
163.00252	0.3
165.05441	0.7
167.00832	0.7
167.07042	100.0
167.12436	1.0
168.07362	1.3
169.57448	0.2
177.01874	0.4
177.05522	1.2
178.99802	0.9
179.03429	0.3
187.00317	0.4
193.04961	0.3
205.01392	0.4
209.84895	0.2
209.90356	0.5
211.90143	8.9
214.99849	0.5
216.00636	0.3
216.57903	0.2
217.01331	0.5
226.92491	6.0
227.92618	0.2
232.00266	0.3
242.71986	0.2
253.04999	0.7
255.15875	0.2
259.66635	0.2
297.04074	0.2
345.13470	14.1
346.13962	0.4
369.02512	1.5
371.48624	0.2
389.12390	0.3
413.01688	1.1
464.55051	0.3
519.16412	0.4
549.18445	0.3
567.18744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72644	1.0
55.01746	1.2
56.13729	0.9
57.02218	1.4
57.03315	67.6
57.04535	1.3
59.00081	2.1
59.01241	100.0
59.02502	1.5
61.98684	1.2
63.58679	0.8
69.03275	1.2
71.01235	30.0
72.99183	1.3
73.02802	12.0
74.14510	0.8
75.00712	1.1
78.95759	1.6
81.03320	1.4
83.01241	7.3
85.02805	18.3
85.99983	1.0
87.00725	1.9
89.02285	5.2
93.03277	1.0
95.01247	1.8
96.95850	2.4
97.02797	2.1
98.07118	0.9
99.00750	4.1
99.04371	72.6
101.02296	46.6
111.00752	1.2
113.02305	15.2
113.68946	1.0
119.03324	1.1
120.97182	1.1
125.02303	41.9
129.01785	1.6
131.03401	1.7
142.37970	1.0
143.03383	5.2
149.04468	1.4
155.37073	0.9
159.02890	3.3
161.04449	16.0
191.05537	12.4
218.25703	1.0
225.15320	0.9
273.17178	1.6
291.18143	55.4
292.18567	1.4
296.42667	1.2
405.21329	17.9
423.22394	99.8
424.22626	4.0
465.23367	15.4
512.24890	1.2
542.43384	1.1
567.26129	18.0
568.27600	1.4
571.11658	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27188	0.4
54.89902	0.4
57.02181	1.1
57.03315	59.7
57.04330	1.1
57.04574	0.7
59.00056	1.2
59.01241	81.5
59.02574	1.1
63.50889	0.5
70.08481	0.5
71.01238	24.7
72.99166	1.0
73.02792	7.8
75.97127	0.4
76.37292	0.4
76.70585	0.4
76.89606	0.4
78.82865	0.5
81.03336	1.3
81.74773	0.5
83.01233	4.3
85.02798	9.8
85.99976	0.6
87.00724	1.0
89.02293	13.5
95.01276	0.8
97.02821	1.5
99.00726	3.1
99.01776	0.8
99.04372	62.0
100.04714	0.8
101.02297	36.2
109.02842	0.7
111.00752	2.1
111.43740	0.6
113.02308	9.7
119.03368	1.0
124.01553	0.6
125.02309	34.1
129.01807	0.7
130.99390	0.6
131.03375	9.1
131.96918	0.5
142.37947	0.6
143.03394	5.0
149.04469	2.7
150.30542	1.4
159.02924	1.7
161.04427	6.6
179.07109	0.7
215.05624	0.7
233.06639	1.1
291.18152	15.6
312.47610	0.6
327.22141	0.7
405.21274	7.3
423.22379	100.0
424.22699	3.3
465.23471	11.9
567.26385	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	567.3177
Annotation	Antibiotic FR 900261
Peak:m/z	Relative Intensity
56.97491	0.7
59.01241	11.5
61.63247	0.7
61.98677	1.8
69.90188	0.7
71.01235	4.1
72.99179	0.8
73.02803	2.4
75.76297	0.7
78.36711	0.8
83.01235	2.4
85.02818	4.0
87.00714	1.4
89.02277	2.2
95.41363	0.9
96.95851	1.4
101.02297	5.0
113.02309	1.7
119.04923	2.1
145.02829	3.7
166.27690	0.8
169.77805	0.8
202.79759	0.8
205.12233	2.2
206.82990	1.0
219.13853	3.0
295.94101	1.0
329.24774	1.2
343.26007	1.2
361.27530	17.8
487.32819	1.6
567.31763	100.0
568.32092	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	568.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71717	0.1
53.46077	0.1
58.82514	0.1
59.01236	0.2
61.97433	2.0
61.98694	100.0
62.00157	0.8
66.58777	0.2
67.57043	0.2
77.28043	0.1
82.95271	0.3
88.35523	0.2
96.16489	0.2
96.95891	0.2
117.03320	0.3
119.04900	0.7
143.53226	0.2
145.02829	0.9
163.03940	0.5
206.21353	0.2
225.85173	0.2
311.32047	0.2
334.67361	0.2
497.44778	0.2
505.28159	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71717	0.1
53.46077	0.1
58.82514	0.1
59.01236	0.2
61.97433	2.0
61.98694	100.0
62.00157	0.8
66.58777	0.2
67.57043	0.2
77.28043	0.1
82.95271	0.3
88.35523	0.2
96.16489	0.2
96.95891	0.2
117.03320	0.3
119.04900	0.7
143.53226	0.2
145.02829	0.9
163.03940	0.5
206.21353	0.2
225.85173	0.2
311.32047	0.2
334.67361	0.2
497.44778	0.2
505.28159	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75356	0.9
59.00977	1.3
59.01246	18.2
61.00842	1.0
61.98691	31.9
67.27522	1.0
67.42873	1.0
73.19954	1.1
78.95758	14.1
82.01041	1.0
89.13153	1.2
100.55741	1.0
152.99524	3.2
168.04216	2.9
215.25455	1.5
224.06905	8.5
242.08015	1.4
269.24857	100.0
270.25186	1.6
331.56683	1.2
392.69083	1.3
436.96939	1.3
494.32516	66.3
495.32846	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	569.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90328	0.9
57.03308	2.2
58.00454	1.8
59.00123	1.8
59.01242	100.0
59.02457	2.2
60.50209	0.8
62.30334	0.9
63.06580	0.9
67.01743	2.5
69.03302	2.8
71.01239	13.3
72.99162	5.5
73.02799	7.9
74.02306	0.9
78.24251	1.0
81.03315	6.8
83.01221	3.4
83.04874	3.8
85.02807	44.1
87.00741	2.5
88.98658	3.0
89.02304	8.5
93.03323	7.3
95.01233	21.3
96.95855	2.9
97.02795	2.8
99.00729	3.2
99.04374	8.8
101.02280	8.2
103.03881	6.5
108.02066	1.7
109.02809	14.1
111.00732	9.5
111.04375	2.4
113.02301	17.2
113.92032	1.2
115.00246	2.1
119.03354	2.1
123.00762	1.4
123.04369	2.2
125.02325	5.1
127.03878	32.0
127.65633	1.1
129.01692	1.1
131.03246	1.0
137.02296	6.3
139.00246	21.7
139.03879	2.4
141.05453	3.9
145.04936	13.6
149.02312	2.0
153.01794	2.9
155.03409	15.5
157.01343	2.4
163.05959	2.9
165.01872	1.2
167.03362	2.9
169.04973	5.3
171.02951	6.0
175.02451	2.5
177.01796	2.1
179.03531	2.0
181.01331	3.9
181.05042	1.5
191.05431	2.7
199.02411	50.9
202.99886	1.1
212.62363	1.1
213.04021	2.3
217.03490	1.6
223.05960	1.1
241.03427	2.8
241.07144	1.9
257.06638	1.6
259.08374	1.7
285.06192	6.4
301.05573	1.9
303.07388	1.5
337.11307	1.2
343.04877	2.1
345.08282	18.3
363.09296	2.3
387.09393	17.8
405.10440	14.5
449.82230	1.2
465.12589	8.4
472.03967	1.2
496.11768	1.2
551.16217	7.1
569.17395	6.3
593.95880	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31801	0.3
57.03326	0.7
58.02848	0.5
58.14338	0.3
59.01260	1.5
63.56419	0.4
71.01263	0.6
72.99195	0.7
73.02793	0.3
74.30020	0.4
81.03285	0.3
93.03326	0.6
96.95923	0.5
99.86675	0.3
101.02338	0.5
105.01824	0.6
107.04914	0.6
109.02843	1.1
119.04905	0.5
121.02852	1.3
123.04391	0.6
124.01560	1.1
125.02327	2.2
132.02095	0.4
134.03572	0.4
135.04405	1.2
137.02322	3.3
138.03076	0.5
139.03842	0.7
145.02884	1.0
147.04434	0.7
149.02325	1.1
150.03122	14.0
151.03920	4.8
153.01794	0.4
154.34204	0.4
161.02353	1.3
161.98033	0.4
162.03122	22.0
163.03915	5.2
164.01062	0.4
164.04668	0.7
164.07065	0.6
165.01808	0.5
165.05470	12.3
165.06863	0.7
166.02634	1.5
167.03412	0.8
174.03191	0.6
175.03917	4.7
176.04724	3.7
177.01845	0.9
177.04063	0.6
177.05487	7.6
178.02655	0.5
179.03438	4.5
179.07072	0.5
180.04198	58.7
181.04607	1.0
189.05452	1.1
190.06290	0.9
191.03389	0.5
191.07083	5.4
193.04968	2.7
194.05782	6.5
195.06558	100.0
195.14128	0.8
196.06917	1.1
205.08578	0.4
206.08127	1.7
207.06535	0.6
208.07362	4.6
209.08098	1.2
212.04628	0.5
234.09555	0.4
299.66522	0.4
330.11099	0.5
339.30142	0.4
345.13464	23.0
346.13559	0.5
355.11703	0.7
373.13004	0.6
375.14505	4.0
425.18265	1.6
449.52829	0.4
467.18988	0.7
509.26685	0.4
521.17798	1.1
569.20349	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	569.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56151	0.8
55.01739	1.1
57.03319	26.1
59.01247	14.8
61.98698	1.6
62.71332	1.0
63.41776	0.8
71.01240	16.8
71.01602	1.9
71.04898	1.6
73.02802	6.1
73.52292	0.9
76.49333	1.0
78.72392	1.0
83.01248	5.0
85.02807	14.2
85.21165	1.1
86.72276	1.2
87.00721	1.0
89.02297	3.1
93.03327	1.5
95.01229	1.9
96.95887	1.8
97.02828	1.3
99.00745	3.1
99.04376	5.1
101.02304	21.0
109.02823	2.6
113.02309	11.1
116.59701	1.1
121.02798	1.2
125.02335	3.1
136.01527	3.6
137.02373	1.6
143.03381	1.7
147.08052	3.3
149.02391	1.7
151.03935	5.0
159.02901	1.3
161.04453	2.9
162.03107	2.4
166.02606	1.3
179.03284	1.6
180.04218	6.1
181.04800	1.5
191.07076	2.0
195.06599	7.4
196.06891	2.1
197.07179	1.1
226.94266	1.2
231.10159	1.6
263.12885	13.6
351.80127	1.2
407.17215	6.1
425.18219	100.0
426.18484	4.0
467.19263	47.2
468.19885	1.8
507.22372	12.6
508.23218	1.5
511.25223	1.2
569.22675	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	569.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55812	0.8
55.01741	0.8
57.03317	20.6
57.03579	1.3
57.09299	1.0
59.01240	9.9
60.15335	0.8
63.56306	1.2
67.18607	0.8
71.01242	15.4
71.01588	1.3
71.04874	1.9
72.99191	1.9
73.02795	6.0
75.00761	2.9
83.01268	4.6
83.54272	1.0
85.02805	15.0
87.00755	1.9
93.03328	1.5
95.01296	1.3
96.95886	1.1
97.02827	1.4
97.11816	1.1
97.97814	1.0
99.00749	1.5
99.04411	4.1
101.02294	13.8
108.01961	1.0
109.02869	1.6
111.00725	1.1
113.02325	8.6
125.02364	4.8
134.94507	1.0
135.04396	1.8
137.02315	1.1
142.19276	1.1
143.03441	1.2
147.08095	4.1
153.01930	1.5
161.04510	2.9
177.01872	1.2
179.03523	1.2
182.50360	1.0
191.07048	2.5
263.12927	11.5
287.02206	1.1
292.06897	1.2
351.14688	3.1
407.17221	12.7
425.18207	100.0
426.18478	6.2
433.52435	1.4
467.19254	34.7
468.19659	2.0
507.22812	1.6
569.21490	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	569.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65683	1.0
57.03326	1.6
59.01243	12.6
59.01479	1.2
61.98697	14.5
78.95751	1.1
95.09766	1.1
107.04888	100.0
107.07810	1.3
114.94614	1.1
135.04388	10.0
149.05991	10.6
151.03860	1.7
161.06181	1.6
162.21617	1.2
167.22794	1.3
177.05554	1.8
179.03415	58.6
193.12569	1.3
199.73296	1.4
200.98848	1.2
215.10686	2.5
217.12373	4.6
218.12837	1.5
221.15578	2.7
229.12344	2.3
233.11798	15.8
243.10255	1.4
245.11922	2.5
247.95801	1.2
259.09698	2.8
260.10605	3.2
261.11371	5.1
273.56836	1.3
302.08597	1.4
313.54053	1.4
339.19626	2.0
348.83051	1.4
365.04477	2.4
426.52911	1.3
449.56937	1.4
453.36423	1.4
465.26617	1.9
509.25467	81.9
510.25598	3.1
569.29382	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80570	0.2
53.82782	0.2
59.01241	0.6
61.97421	1.9
61.98692	100.0
62.00173	0.8
99.20932	0.2
105.99769	0.3
107.04881	0.9
149.06120	0.2
158.35558	0.2
174.47844	0.2
227.03975	0.2
274.04868	0.3
392.45490	0.2
404.95187	0.3
419.26117	0.3
463.24963	0.9
507.24002	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44836	0.3
57.62118	0.7
59.01240	1.1
61.97505	1.4
61.98695	100.0
62.00056	1.4
69.03751	0.4
71.55247	0.4
76.97089	0.4
107.04915	1.4
129.89220	0.4
193.31053	0.4
233.11983	0.5
289.79065	0.4
507.24335	0.9
509.25754	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73710	0.2
56.17561	0.2
56.24584	0.2
59.01234	0.4
61.97367	1.7
61.98693	100.0
61.99825	1.2
74.11556	0.2
78.95768	0.5
81.93235	0.3
82.53969	0.2
86.51842	0.2
119.04917	0.6
145.02945	0.4
152.99489	0.4
163.03951	0.7
295.22748	0.3
507.30283	0.4
528.57520	0.3
570.27875	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25967	0.3
57.61587	0.3
61.97433	1.9
61.98693	100.0
61.99807	1.1
62.00154	0.7
62.82020	0.3
66.87629	0.4
119.04934	0.7
145.02853	0.6
152.99496	0.8
163.03943	0.8
163.05792	0.4
179.35031	0.3
211.50688	0.4
217.37263	0.3
218.52522	0.4
229.01895	0.3
252.85399	0.3
254.22301	0.5
492.08722	0.4
570.27930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.8
58.49153	0.8
59.01241	3.2
63.86274	0.9
71.01225	1.1
88.20889	0.9
89.02290	1.0
91.73357	1.1
93.03318	2.7
96.95877	4.8
99.04385	1.7
101.02288	1.4
108.02063	0.9
109.02796	2.3
109.12160	0.9
121.02840	6.1
122.03612	13.6
123.04382	1.1
124.01512	1.2
134.03619	1.7
135.04395	2.5
136.01559	1.8
137.02301	1.6
145.02879	1.3
146.03624	30.7
147.04382	2.8
149.02342	19.9
149.05977	2.4
150.03120	73.7
151.03842	1.9
161.05977	8.3
163.03870	2.3
164.04688	29.3
164.05739	1.1
165.05475	91.1
166.05753	1.1
175.03906	2.7
176.04710	2.7
179.03429	2.5
179.07051	45.0
179.08620	2.2
180.04221	14.0
190.06313	2.9
191.07126	3.5
192.04234	3.9
194.05840	2.2
195.06561	100.0
195.13605	1.4
203.07024	1.2
207.06592	4.0
267.06522	1.2
270.09036	1.2
279.06570	1.0
285.11227	1.5
324.37082	0.9
327.12552	5.7
333.15674	1.2
343.11862	15.1
345.13254	1.2
355.11996	1.4
375.14551	2.5
391.13983	13.9
392.67621	1.0
393.21518	1.0
475.17365	1.5
505.18411	2.9
523.19879	5.2
527.08447	1.2
535.18561	1.3
552.57806	1.0
553.20935	1.5
571.11127	1.3
571.22235	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.289
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
63.27729	0.3
63.68388	0.3
66.43745	0.6
67.14693	0.3
78.95757	46.9
78.97549	0.8
87.22175	0.4
91.69041	0.8
91.69589	0.7
96.96815	11.0
118.65490	0.3
140.01704	0.4
145.02684	0.5
150.97908	0.6
152.99467	51.6
153.04279	0.8
171.00471	0.6
200.05264	0.6
223.00110	1.6
233.09749	0.4
241.01157	30.3
245.87096	0.3
255.23282	70.8
256.23602	1.5
259.02213	0.6
287.91309	0.4
315.04858	8.5
391.22543	5.0
400.29581	0.4
415.25217	0.7
571.28906	100.0
572.29156	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	571.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.9
61.26994	0.5
61.98404	1.0
61.98691	13.5
66.43761	0.7
67.15270	0.6
78.93970	1.2
78.95760	47.9
84.57522	0.8
87.77206	0.6
91.69032	1.5
91.69543	0.9
94.61256	0.6
96.96243	1.1
96.96822	11.7
98.24648	0.6
102.62311	0.7
103.77488	0.7
107.04881	3.9
149.05963	0.9
150.97882	1.1
152.99474	50.9
166.38437	0.6
168.01309	0.8
171.00536	0.8
179.03397	1.5
200.05215	1.1
223.00044	2.0
241.01157	29.8
242.22176	0.8
255.23288	71.6
256.23575	0.7
315.04910	8.9
357.99634	0.7
391.22720	4.1
511.27097	4.2
515.68768	0.8
518.57965	0.8
571.28918	100.0
572.29163	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	43.1
61.98688	4.0
65.13374	0.9
71.43633	1.0
81.03314	2.0
84.86316	0.8
89.79817	0.8
99.08084	0.9
107.04884	0.9
109.02821	4.4
116.62325	1.1
121.06433	1.9
123.08027	3.3
123.72400	0.9
124.70606	0.9
149.05991	4.6
163.11171	1.6
184.41718	1.0
195.82866	0.9
203.10692	2.0
205.08643	3.1
205.12251	3.6
215.10725	14.9
229.12320	4.1
231.10278	1.5
233.11800	100.0
234.12231	1.7
245.11815	1.5
247.13275	1.2
251.12825	6.9
315.11960	1.0
510.20465	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60830	0.5
59.01244	1.0
70.85098	0.6
71.01249	1.4
73.02808	0.9
73.77306	0.6
79.95585	4.7
80.64783	0.5
80.96375	2.3
80.96808	0.6
81.10066	0.6
82.05849	0.6
82.72749	0.5
83.01266	0.8
89.02281	0.6
93.03288	1.4
96.95869	100.0
96.98366	1.8
97.61037	0.6
104.85680	0.6
106.41676	0.6
107.04857	0.6
108.02021	1.6
113.02302	1.1
121.02794	4.0
122.03601	20.3
123.04369	0.6
124.01537	3.7
136.01543	10.9
137.02287	0.9
137.05945	1.3
138.96974	0.9
149.05969	0.6
153.05406	0.8
165.01868	2.1
166.02614	23.8
179.03383	3.1
180.04146	1.1
198.01630	22.9
201.59259	0.6
207.02922	1.1
227.07130	1.6
228.07916	4.8
229.08714	0.8
241.00223	15.6
243.10229	8.9
269.08197	0.7
270.05319	1.0
271.06125	0.9
272.06943	4.1
279.78339	1.6
287.09265	77.1
288.09595	2.5
312.97696	1.1
329.10046	0.6
331.08127	0.8
416.11459	1.3
431.13385	5.7
449.14655	9.3
475.12473	14.1
493.13541	43.2
494.13766	1.8
529.10248	4.5
552.63312	1.0
555.08289	1.5
573.09253	69.7
574.09399	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	573.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66529	7.1
61.70847	7.1
76.37993	8.3
122.03602	14.9
140.18335	9.0
146.03654	20.7
179.07008	43.4
183.94522	10.3
195.06535	20.6
207.06625	15.6
375.14529	63.8
492.51840	9.8
523.18903	14.5
573.17285	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75799	5.6
57.03325	6.0
59.01242	9.1
63.94564	5.7
66.89484	5.8
80.80185	5.4
83.01234	9.2
96.95885	34.8
109.02813	16.6
111.04408	9.7
113.02190	8.9
118.65993	6.9
118.97777	6.5
123.00770	6.7
123.04400	9.4
125.02310	100.0
128.03394	14.0
129.05424	9.0
137.02316	63.9
139.03903	21.9
146.03548	8.5
149.02356	8.5
151.00259	12.8
151.03842	14.9
155.84962	6.6
164.04672	12.9
165.01816	72.8
166.02579	10.2
167.03368	41.4
169.01346	17.4
177.01787	17.0
177.05464	6.7
179.03394	14.4
179.07039	29.6
180.04266	7.8
181.05031	6.4
183.02910	34.9
189.07614	7.7
191.07014	13.7
195.02916	19.8
195.06621	20.9
202.85869	6.2
211.02452	95.2
219.06679	13.6
223.02473	26.6
231.06546	12.2
266.71194	8.0
273.07803	12.0
305.06735	68.9
317.06689	25.7
361.05716	10.8
367.13599	10.0
375.14456	18.2
423.37363	8.3
443.09650	19.0
501.10727	12.4
529.10010	79.4
573.17426	18.9
573.27277	11.5
587.02734	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	573.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65512	0.5
51.72467	0.5
59.01247	3.6
61.98685	2.2
63.63300	0.6
65.98753	0.6
71.01253	1.0
73.02819	0.7
74.45730	0.7
83.35535	0.6
88.71635	0.8
88.72105	1.0
94.05794	0.7
95.04858	1.7
96.95848	2.3
115.00205	2.6
118.06461	1.2
121.05110	0.8
122.05986	9.0
123.06797	1.1
124.07565	1.9
125.02405	0.7
134.05995	0.9
136.07559	3.7
138.09128	0.7
143.04359	0.7
146.06003	11.8
155.03247	0.7
175.02379	4.6
179.05786	2.3
190.07425	1.4
191.05652	0.8
196.07664	1.3
199.08675	1.9
212.10759	10.7
213.10220	4.5
214.10829	0.8
216.05522	0.9
225.06702	0.8
226.07515	9.8
226.12360	14.7
227.08212	62.3
227.11900	2.2
228.08545	1.3
230.10590	1.8
239.08289	2.1
240.09033	5.3
241.09796	88.6
242.10561	24.2
243.11209	1.9
244.11932	1.0
253.09839	1.6
254.10693	4.6
255.11374	51.7
256.11774	1.2
258.13702	2.6
259.14536	24.5
259.25394	0.8
260.14838	1.0
267.11377	0.8
268.12125	1.6
269.12967	51.3
270.13678	9.1
271.14490	1.5
299.10199	1.5
300.11401	1.0
302.12796	2.3
313.11951	31.8
314.12735	53.0
315.13437	3.3
346.11853	1.3
350.15204	1.2
364.16589	1.9
378.18198	2.0
394.21472	1.3
408.15643	1.1
410.38528	0.8
422.17343	0.9
436.18784	1.6
437.19568	7.2
438.20462	5.1
513.16443	0.8
529.27954	1.6
573.27240	100.0
574.27588	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	573.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71107	0.9
51.86135	0.9
59.01243	5.8
61.12608	0.8
65.25240	0.9
66.37053	1.0
69.45694	1.0
71.01241	4.0
78.95773	1.7
81.98539	1.0
83.01287	0.9
84.94991	2.2
85.02809	3.7
86.98716	1.5
87.00732	100.0
88.00261	3.0
88.03899	2.2
89.02291	3.1
94.56693	1.0
96.95879	1.9
101.02305	1.8
113.02312	6.4
133.01675	0.9
133.02794	1.9
134.03552	1.7
145.02867	2.5
151.29927	1.0
161.04399	1.6
165.59711	1.2
193.04903	3.1
249.18594	72.3
315.22214	1.1
323.09821	7.8
395.26288	1.2
453.41415	1.3
519.85931	1.7
535.29108	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	573.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97435	3.7
59.01241	57.0
68.07912	1.6
71.01237	36.5
71.01579	2.2
73.02831	2.2
78.95776	2.7
83.01272	5.4
85.02828	6.6
87.00742	13.8
89.02296	55.0
93.04466	2.5
95.01241	2.3
96.95901	4.1
97.77965	1.6
101.02299	27.1
111.98571	2.0
113.02312	23.4
119.03367	26.2
119.04881	2.0
124.00888	13.7
131.03372	2.6
134.03659	6.8
137.02344	1.8
138.99673	6.6
143.03455	7.8
145.02827	3.9
149.06035	3.6
152.58510	2.2
152.99565	1.8
161.04419	9.4
178.02808	2.9
179.05501	20.0
184.82396	2.1
193.04993	13.5
217.87859	2.1
249.18587	100.0
251.10902	6.7
252.11150	2.3
263.20190	2.7
291.19708	3.3
301.25449	13.0
302.25839	10.9
323.09918	13.1
341.10889	43.4
345.24307	8.9
346.24738	12.8
361.10828	2.6
394.93176	2.1
469.25500	4.3
470.25870	8.1
485.24966	3.4
486.25348	7.6
535.29242	6.0
537.30731	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	573.2921
Annotation	Tricalysioside O
Peak:m/z	Relative Intensity
55.01746	1.2
59.01245	11.7
60.01677	0.6
69.03342	1.0
71.00867	1.6
71.01240	20.3
71.27573	0.7
72.99165	0.9
73.02805	10.9
75.00724	0.9
75.26277	0.7
83.01243	4.8
85.02796	8.4
87.00730	1.9
89.02296	7.4
95.01227	2.1
97.02797	1.7
99.00732	4.4
99.08099	0.8
101.02297	22.7
109.02805	0.8
111.00738	0.7
111.36599	0.8
113.02300	9.0
115.03879	0.9
118.20550	0.8
125.02344	3.0
131.03372	1.9
143.03407	1.7
149.04433	1.5
151.00262	2.2
156.73889	1.0
159.02930	2.2
161.04433	7.7
174.99210	2.0
233.06779	1.0
308.99295	2.9
344.67209	0.9
381.22916	11.5
398.72552	0.8
513.27069	100.0
514.27380	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	573.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49769	0.4
59.01242	100.0
59.02410	2.0
63.58022	0.4
73.02772	0.5
85.02793	4.2
115.64462	0.4
123.08047	0.6
167.44055	0.5
170.71394	0.4
180.87166	0.5
209.87825	0.4
217.12206	0.7
219.10168	0.8
231.40744	0.4
233.11812	3.0
233.15509	1.2
245.09502	0.5
245.11723	2.1
247.13385	13.5
248.13712	0.8
397.38358	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93854	2.2
59.01242	100.0
60.21806	2.0
64.64721	2.0
69.03313	4.3
71.01232	6.5
73.02811	16.8
82.08081	2.0
83.04872	2.6
87.51443	2.3
91.72736	2.3
93.77659	2.1
97.02810	47.0
101.02343	11.8
102.14350	2.5
113.02345	2.3
120.57538	2.3
121.06421	2.7
123.08029	42.2
128.82951	2.5
137.05960	35.3
139.73283	2.3
139.87457	3.1
140.63150	2.3
147.04391	3.1
153.17238	3.0
165.05502	7.1
165.09074	7.9
188.04683	5.4
191.10759	11.9
203.10667	5.9
219.10208	48.2
219.12119	3.8
221.11795	56.3
231.10239	70.2
233.11745	15.8
233.15466	4.2
243.10373	4.4
247.13350	22.0
249.11313	41.1
260.43784	2.9
261.11273	12.6
265.10748	4.4
301.20450	2.9
566.01038	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	573.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19807	0.3
51.18139	0.3
54.30930	0.4
58.99957	1.4
59.01242	100.0
59.02363	1.8
61.98681	3.0
78.95786	1.4
81.03329	1.5
83.70268	0.5
91.06655	0.5
92.58410	0.4
97.02854	0.4
99.07995	0.6
107.04910	0.8
109.02813	4.7
121.02798	0.5
121.06448	1.5
123.08000	3.1
148.05229	0.7
149.05952	4.9
152.99570	0.7
163.11182	1.3
172.05171	0.7
177.09158	0.5
177.12735	1.3
178.09941	0.5
179.10725	0.7
190.09926	1.1
191.10591	0.5
203.14470	0.5
205.08653	4.5
205.12250	3.9
215.10742	4.7
217.12302	0.7
231.10304	0.7
231.13976	0.5
233.11801	70.0
234.12177	2.5
239.03262	1.7
245.11900	0.7
247.13428	1.7
283.15424	1.1
446.26041	0.5
491.24774	0.5
513.28656	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90271	0.6
58.99979	1.6
59.01242	99.4
59.02376	1.5
61.98695	11.6
67.31432	0.6
67.32836	0.5
71.01237	0.7
72.51155	0.6
73.02810	1.0
78.95759	1.6
83.04894	2.1
85.02785	0.8
95.04877	2.0
99.08033	3.7
101.05932	5.1
111.67682	0.6
112.52353	0.6
115.59665	0.6
119.04919	1.8
121.06477	0.8
123.04399	1.4
123.08031	1.2
125.09595	0.9
133.06482	0.8
135.08055	15.5
135.09271	2.7
137.05962	1.5
147.08052	2.7
149.05968	1.4
152.99500	1.5
153.12762	0.8
161.05939	0.9
165.12827	1.1
165.35471	0.8
170.07306	1.3
179.14401	0.8
201.12860	2.8
203.10703	0.9
205.12268	3.3
213.12799	4.5
217.12321	0.9
219.13882	5.4
229.12328	1.3
231.10329	3.4
231.13855	9.3
233.11819	10.5
237.14955	1.5
245.11877	1.6
247.13429	3.0
253.09393	1.0
257.11874	0.9
259.13370	6.8
267.16183	2.2
277.21829	5.5
365.17578	1.8
429.22943	2.0
441.24689	1.0
465.26590	1.7
477.26596	1.0
483.27570	1.7
495.27869	6.0
513.28601	100.0
514.28961	6.4
573.29578	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66208	0.5
59.01244	11.7
66.12136	0.4
70.88475	0.5
71.01231	2.8
73.02795	0.7
85.02814	0.8
86.55865	0.4
89.02287	2.1
93.90440	0.5
101.02299	2.2
113.02299	1.3
119.03382	1.0
161.04443	1.3
179.05551	0.6
235.08264	1.4
249.74490	0.5
253.09280	14.4
277.21741	100.0
278.22119	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	575.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.3
63.82685	0.1
70.26061	0.1
71.01237	0.1
71.91215	0.1
79.35831	0.1
79.95586	1.7
89.02301	0.1
96.93037	0.8
96.95867	100.0
96.98322	1.6
125.02346	0.1
128.03397	0.1
151.00284	0.2
157.98044	0.1
178.99829	0.1
228.55537	0.1
240.55508	0.1
243.02985	0.2
259.02435	0.2
261.69785	0.1
271.02524	0.5
287.01956	0.5
315.01532	1.2
316.02222	0.3
330.03821	1.6
331.04642	1.2
477.10379	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	575.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95584	1.0
80.96381	1.2
81.03325	0.5
85.46379	0.2
91.01738	0.3
95.95082	0.6
96.93158	0.2
96.95869	16.4
96.98323	0.2
108.02024	2.9
108.99509	0.7
109.02814	75.1
109.05804	1.0
110.03149	1.0
124.70886	0.3
128.40532	0.2
152.96309	0.8
153.01823	100.0
153.06703	1.1
154.02173	1.5
163.03940	0.3
177.05472	0.3
230.18625	0.2
242.99673	0.3
246.79535	0.2
258.02008	0.7
282.41769	0.2
336.11075	0.2
349.38019	0.2
360.69873	0.2
421.08090	2.2
463.93195	0.3
469.41360	0.2
575.10797	19.6
576.11432	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81671	0.6
59.85482	0.6
61.75327	0.7
68.16889	0.6
72.89374	0.6
79.95581	3.1
95.95115	1.1
96.95869	31.1
98.95432	1.2
107.99111	0.9
108.02033	36.1
116.92723	1.4
122.97455	2.5
123.04391	16.1
141.82834	0.7
147.04402	1.6
152.01042	83.4
153.01408	1.3
165.01772	1.2
166.97809	1.5
167.03398	100.0
168.03833	1.3
173.16360	0.8
285.04068	3.2
407.06619	6.7
575.10791	57.5
576.11035	2.6
589.44843	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97342	0.2
59.01000	0.2
59.01242	2.4
59.50623	0.2
61.98676	1.0
63.02259	0.4
65.00179	0.2
67.35154	0.3
71.13276	0.5
71.13615	0.3
71.38726	0.3
71.68316	0.2
73.02792	0.4
81.73216	0.2
83.01231	0.7
85.02804	0.2
86.70328	0.5
86.70818	0.5
87.04366	1.3
89.02235	0.3
91.01750	0.3
93.03293	1.7
96.95858	0.6
97.02845	0.3
99.00837	0.3
101.02296	0.7
107.01255	1.5
109.02806	0.7
117.03335	0.4
122.16588	0.2
125.02306	0.5
132.02061	0.5
133.02794	0.3
135.00755	1.3
137.02292	0.5
143.03384	0.3
143.04877	0.8
145.06496	0.3
151.00252	0.9
153.01814	0.5
154.04004	0.3
157.06451	0.7
159.04405	1.0
163.00293	1.8
163.06032	0.7
164.01117	0.5
165.01845	0.4
167.04874	0.3
169.06479	0.5
171.04430	0.6
173.02374	0.3
173.04494	1.5
173.05885	0.4
182.03683	0.4
183.04376	0.9
184.05066	0.3
185.02287	0.3
185.05994	2.3
186.03142	0.2
187.03949	2.7
189.05511	0.9
191.05522	0.3
195.04434	0.7
197.06021	0.9
199.04066	1.1
201.05496	0.7
211.03979	2.6
212.04678	0.4
213.02211	0.3
213.05540	1.7
214.02768	0.4
219.26958	0.2
223.03990	0.3
227.03459	21.0
228.03983	0.6
229.05028	11.6
230.05353	0.3
239.03476	1.5
240.04263	0.7
241.05023	1.5
249.14381	0.2
255.02979	35.1
256.03668	2.9
257.04541	5.7
267.02988	1.1
283.02423	0.7
284.03271	38.2
284.91605	0.9
285.04050	100.0
285.18378	0.7
286.04468	1.8
337.16696	0.5
345.34024	0.3
401.21988	0.4
411.16556	0.5
431.09839	50.9
432.09863	1.6
459.09344	0.4
531.28595	1.5
575.13983	1.9
575.26959	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53893	0.7
55.01753	1.0
57.03318	26.9
59.01244	43.5
59.02459	0.7
62.31799	0.7
69.03314	1.3
71.01237	34.7
71.41171	1.0
73.02805	13.3
81.03296	2.6
83.01241	5.2
85.02805	17.6
85.50080	0.9
87.00735	2.6
88.98566	0.8
89.02298	8.5
95.01240	1.7
96.95871	30.1
97.02817	2.7
99.00736	4.7
99.03827	0.6
99.04372	34.5
101.02304	44.9
109.02862	1.7
113.02305	15.0
119.03341	2.8
125.02312	29.1
129.01822	1.5
136.68681	1.0
139.54488	0.8
141.07918	0.9
143.03386	4.0
148.66283	1.3
159.02853	3.2
161.04454	19.4
170.62872	0.9
171.80859	1.0
179.05472	1.3
220.44475	0.9
241.00220	2.2
245.06750	1.4
269.10281	13.5
413.14526	19.7
431.15601	100.0
431.40524	1.1
432.16296	2.1
445.05563	1.1
473.16699	4.3
522.96259	1.0
575.20154	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	575.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02918	0.9
51.49504	0.7
57.03316	28.9
57.62232	0.9
59.01242	41.9
69.03313	1.1
71.01242	30.0
72.99154	2.0
73.02807	8.6
75.00742	2.2
81.03334	1.6
83.01242	6.0
85.02799	15.5
86.89941	1.1
87.00740	3.2
87.05483	1.0
89.02297	7.6
95.01234	2.0
96.95870	1.0
97.02833	1.9
99.00728	5.4
99.04378	24.5
101.02303	30.7
111.00705	1.4
113.02307	16.7
115.00251	2.2
116.96451	1.1
119.03384	2.4
121.78640	0.9
125.02311	24.6
125.22902	1.0
135.02863	1.9
137.05977	1.9
143.03369	4.4
148.66263	1.2
159.02901	2.1
161.04443	16.7
167.03416	2.0
175.02393	5.4
263.07956	1.5
269.10297	12.8
349.76480	1.3
413.14630	22.4
426.53851	1.2
431.15585	100.0
432.16003	2.0
473.16681	10.6
500.02731	1.1
575.19940	7.7
575.29645	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	575.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.1
55.41198	0.5
57.02121	0.6
57.03031	1.4
57.03316	28.2
59.00007	1.0
59.01242	42.1
61.45156	0.6
64.63525	0.6
69.03316	1.3
70.99595	0.8
71.01238	36.6
71.02749	0.6
72.99169	0.9
73.02800	14.1
73.03190	0.9
75.00751	0.6
81.03313	2.4
83.01231	6.0
85.02805	17.0
85.03303	1.0
87.00737	2.4
89.02296	8.6
95.01264	2.5
96.95866	29.4
96.96830	1.5
97.02784	3.2
99.00739	5.6
99.04374	39.0
100.99467	0.8
101.02300	40.5
101.04832	0.7
109.02817	1.6
113.02304	20.3
119.03370	3.1
121.02849	1.1
123.04402	1.1
124.01551	1.3
125.02310	33.6
131.03342	0.8
137.02380	1.2
137.30380	0.6
143.03384	5.6
148.66371	1.1
159.02890	3.7
161.04448	19.1
179.05502	1.2
196.70236	0.6
200.41165	0.7
251.09338	0.8
269.10291	16.1
413.14633	18.0
431.15591	100.0
432.15799	3.5
473.16519	5.4
575.19653	3.8
579.35791	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	46.3
58.00448	1.3
59.01242	94.7
59.02480	1.2
60.01553	0.9
69.03310	5.5
71.01241	54.4
72.99167	1.5
73.02795	8.6
77.75095	0.9
78.60874	0.8
81.03316	3.9
83.01225	5.8
85.02804	16.3
86.23520	0.9
87.00727	4.7
89.02295	57.5
95.01243	3.9
96.93518	0.8
96.95872	47.5
96.96799	2.1
97.02803	10.6
99.00719	4.6
99.04376	46.5
99.07090	0.9
99.64673	0.8
101.02302	57.0
103.27710	0.9
107.01299	0.9
107.04884	18.4
109.02811	1.9
111.00768	1.0
113.02306	32.2
119.03366	28.2
121.02833	1.1
125.02312	71.8
128.03419	1.5
131.03362	5.5
133.97728	1.1
137.02307	1.1
139.03906	2.2
142.69171	0.9
143.03362	11.4
147.04399	1.0
149.04475	2.8
151.35799	1.0
155.03410	1.2
161.04474	13.6
161.05783	1.4
167.03416	2.7
179.05539	19.3
203.05554	1.6
207.29611	1.1
221.06612	12.9
233.06422	1.3
245.06726	2.2
251.67216	1.1
263.07654	6.8
301.68881	1.1
305.08768	20.0
323.09845	100.0
323.26505	1.1
324.10074	1.5
339.04782	1.2
342.75043	1.0
365.10901	17.3
413.14505	6.4
431.15622	37.8
432.15860	1.2
473.16711	6.2
575.19733	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	575.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.1
59.01245	1.6
61.98689	0.4
71.01234	0.5
73.02809	0.5
83.01209	0.2
87.00704	0.2
89.02291	0.2
93.03313	6.9
96.95853	0.5
101.02296	0.4
104.83572	0.2
106.04060	0.3
107.04877	0.2
113.02309	0.3
117.03376	0.2
119.04893	7.9
123.04349	0.2
128.03497	0.2
130.04137	0.4
131.04898	0.3
132.05669	0.3
143.04918	1.5
145.02837	0.3
145.06471	2.3
153.01825	0.2
156.05727	0.3
157.06487	0.7
158.07271	0.2
159.04428	0.4
175.02435	0.7
191.05559	0.2
208.08749	0.2
209.09534	0.3
235.07655	0.5
236.08380	0.2
249.09163	0.5
250.10005	0.8
251.10764	100.0
251.20978	0.9
252.11061	1.9
413.16101	6.4
414.16458	0.2
489.26639	0.2
531.28076	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	575.2174
Annotation	Dehatridine
Peak:m/z	Relative Intensity
51.48615	0.5
59.01245	4.1
59.01498	0.7
62.67857	0.5
71.01234	2.0
78.95765	0.7
79.95603	2.9
80.96391	0.6
83.01231	1.0
85.02814	1.0
87.46695	0.7
89.02304	2.3
95.73454	0.5
95.95097	2.5
96.93318	1.2
96.95869	100.0
99.00751	0.7
101.02319	1.6
103.62819	0.5
113.02314	0.9
118.77153	0.6
119.03381	0.8
125.02365	1.4
137.02379	0.8
151.03883	1.0
190.92950	1.4
220.97697	1.2
225.00687	0.9
241.00249	0.8
256.99655	4.8
270.00586	0.7
279.06027	2.6
293.08655	0.7
303.35233	0.7
350.42249	0.6
360.33212	0.7
400.89484	0.8
477.25143	1.0
479.04736	0.8
495.21637	0.6
513.21631	22.6
539.21136	1.1
557.20221	5.8
575.21729	80.1
576.21924	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	575.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66690	0.6
55.01748	0.7
57.03311	1.3
59.00011	1.2
59.01244	74.6
61.08067	0.7
61.98689	2.3
67.01734	1.3
69.03313	1.4
71.01241	16.3
73.02808	14.0
74.65993	1.3
78.95760	0.8
81.03337	1.5
82.57887	0.7
83.01216	4.5
83.04890	1.3
83.58681	0.6
85.02809	11.4
87.00736	4.6
87.01193	0.7
89.02316	6.5
91.73322	1.5
93.03321	5.8
95.01243	1.3
96.95873	1.9
97.02843	0.7
99.00757	2.0
101.02303	12.6
102.35159	0.6
111.00711	0.8
111.04384	2.6
111.08006	1.2
113.02318	5.9
125.02325	1.0
125.09610	1.9
127.03872	1.4
128.93912	0.8
132.75635	1.1
137.02301	0.9
148.27562	0.8
155.03410	2.5
157.08583	5.6
159.95528	0.8
161.04497	3.0
171.10181	2.5
173.04469	25.8
185.11807	1.2
186.36081	0.8
187.09676	2.4
190.98291	1.3
191.05539	100.0
192.05879	1.2
233.15393	1.4
250.63857	0.7
251.16522	8.5
259.04794	1.9
291.19717	5.4
299.02863	1.3
309.20767	7.2
315.18210	4.6
327.21774	3.4
333.20724	1.0
357.19144	3.5
471.25989	5.6
489.27106	10.3
509.21796	2.6
513.27783	1.1
521.21765	2.4
531.28137	73.8
532.28369	1.9
575.23236	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	575.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85229	0.3
52.27858	0.4
55.01734	0.6
57.03298	1.3
59.01244	10.6
62.32985	0.3
69.03324	0.5
71.01241	6.8
71.04884	2.4
72.99169	14.7
73.02811	3.7
80.72132	0.3
81.15852	0.3
83.01225	0.8
83.04883	1.0
85.02807	3.6
85.97566	0.3
87.00719	0.5
87.04375	1.2
89.02307	3.7
89.95626	0.5
91.72762	0.5
95.01263	0.6
96.95844	2.2
97.02792	1.3
99.00710	0.6
99.04382	1.3
101.02307	5.1
107.04885	0.6
109.06484	0.5
112.01530	0.5
113.02321	3.5
119.03410	0.8
123.07993	0.5
125.02319	2.1
128.03421	2.4
128.90027	0.6
129.01797	0.8
129.03780	0.5
135.07997	0.9
137.09602	4.2
140.88998	0.4
151.03857	0.4
153.09093	1.6
153.12891	0.4
161.04465	0.6
163.07573	0.5
167.03391	0.8
176.11081	0.5
179.14305	1.5
187.81519	0.4
197.15372	0.6
205.12321	0.7
207.13957	0.4
223.13367	0.7
233.15395	1.4
233.19177	0.6
245.19099	2.0
249.11340	0.5
251.16521	1.3
261.18634	1.0
263.20190	1.5
289.18155	2.0
307.19171	1.4
333.17212	0.8
340.97433	0.4
349.16626	0.6
351.18219	1.0
369.18985	0.6
395.17068	1.3
413.18170	3.1
469.24634	0.8
513.23401	0.7
531.24286	0.7
557.22815	0.9
575.23517	100.0
576.23718	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12189	0.4
56.72520	0.5
57.03307	1.0
57.05481	0.4
58.99954	0.8
59.01244	69.1
59.02393	1.3
59.48836	0.5
61.02859	0.5
61.37579	0.7
61.98704	0.6
62.75523	0.4
67.01754	1.4
69.03307	0.8
71.01251	4.8
73.02802	2.1
74.38903	0.5
81.03305	2.0
83.01233	0.7
83.04880	3.6
84.99136	0.6
85.02805	4.4
87.00713	0.6
89.02296	1.2
91.72768	0.9
93.03316	27.2
96.95862	2.2
96.96832	0.6
99.00719	1.1
99.04358	1.0
101.02321	1.7
109.02821	1.2
111.04377	18.5
113.02253	1.1
119.04848	0.8
127.03834	0.8
128.03337	0.5
137.02325	6.6
142.99725	0.7
143.03406	1.0
155.03395	18.7
161.04475	1.2
162.06831	1.5
173.04463	50.8
191.05540	26.9
197.04599	0.6
241.03568	1.0
242.10040	0.8
253.15942	1.6
253.19688	1.1
256.11697	0.7
267.17551	0.6
269.19119	7.4
271.20657	5.0
297.18573	12.4
314.12451	0.7
315.19846	10.4
333.20737	21.6
357.20847	13.1
375.21799	100.0
376.22159	2.8
401.19717	13.0
419.20786	14.7
531.27765	1.3
575.24677	12.1
576.24762	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18977	0.1
56.24082	0.1
57.03307	0.2
59.01243	4.5
61.16565	0.1
61.98691	0.3
67.24813	0.2
68.27846	0.1
71.01241	1.6
72.99168	0.3
73.02805	1.9
83.01218	0.4
83.04883	0.1
85.02807	0.5
87.00757	0.2
89.02294	0.7
91.73376	0.2
93.03313	7.3
93.05637	0.2
95.01258	0.3
96.95892	0.3
101.02300	1.5
106.04082	0.3
107.04877	0.3
111.00748	0.2
111.08011	0.3
111.52599	0.1
113.02296	0.4
116.92773	0.2
117.03362	0.3
119.03468	0.3
119.04890	7.8
123.04353	0.2
130.04103	0.4
131.04875	0.2
132.05687	0.3
140.13651	0.1
143.04929	1.6
145.06474	2.2
157.06490	0.6
157.08543	0.7
159.04378	0.3
171.10167	0.3
173.04460	0.2
185.11719	0.4
187.09753	0.4
191.05505	0.5
193.06677	0.2
196.02267	0.2
233.09756	0.2
235.07629	0.5
236.08344	0.2
237.14949	0.2
249.09152	0.5
250.09833	0.8
251.10764	100.0
251.20877	1.0
252.11104	1.4
262.12036	0.1
291.19669	1.3
297.71774	0.2
303.14383	0.2
309.20761	1.3
327.21637	0.6
413.16086	6.1
460.77606	0.2
471.26083	0.9
489.27301	1.2
531.28113	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	575.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59906	1.7
57.03296	2.4
59.01239	73.1
61.98689	4.1
71.01230	11.5
73.02799	2.3
78.95759	3.8
81.03319	2.9
83.01221	4.6
83.04886	2.9
85.02797	3.8
89.02296	14.5
95.04877	5.6
96.95863	33.6
96.96541	2.1
96.96786	3.2
97.02812	11.9
97.06432	12.9
99.41479	1.9
101.02316	15.9
107.60972	1.8
113.02315	7.9
119.00248	1.9
119.03368	5.7
133.06482	3.4
135.08031	5.5
137.09586	8.4
139.07504	2.6
149.09619	4.6
151.78571	2.2
153.09180	2.9
161.04451	7.8
163.07558	6.3
163.11183	18.9
165.09064	2.8
179.05510	3.2
181.08621	8.8
181.12315	4.8
189.12788	4.1
209.08170	3.0
217.15910	64.9
235.16986	6.1
243.13889	5.1
253.09258	54.4
261.14944	72.5
279.04214	2.8
279.16019	100.0
302.02539	2.2
338.20834	2.3
340.42569	2.4
357.77271	2.0
405.27536	2.1
531.28198	5.9
563.61664	2.6
576.05029	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	575.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98582	0.7
59.01241	5.2
71.01227	0.7
77.98325	0.6
78.95760	3.4
83.01225	0.6
101.02319	1.5
117.03355	0.7
119.04793	0.6
145.02847	1.4
152.08578	0.7
152.99481	2.2
158.84544	3.7
159.02890	1.3
160.78589	1.6
160.84105	100.0
161.04489	0.6
170.92921	0.6
234.98598	0.8
252.99586	1.2
253.09366	4.5
279.23306	36.3
280.23611	0.6
415.24966	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02851	2.8
59.01243	100.0
59.02571	2.7
61.98691	25.2
63.03995	2.6
67.94778	2.7
73.08306	2.8
76.45248	2.9
78.95764	7.3
82.95280	10.7
87.45075	2.8
91.73373	4.3
111.35765	3.5
123.04375	3.6
132.00227	3.1
152.27420	3.6
157.08647	4.1
180.04347	4.0
193.33440	3.3
195.06688	3.8
217.12448	3.9
233.11844	11.5
245.11955	4.0
249.14964	7.8
440.54929	3.9
496.30505	3.6
515.29706	3.7
539.23303	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	575.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00006	1.7
59.01240	100.0
59.02345	1.5
60.01559	0.8
61.98692	13.2
65.27232	0.9
65.51095	0.8
77.26713	0.8
78.95758	4.0
82.95255	0.7
89.02299	0.7
91.72687	1.0
109.02856	0.8
136.83516	0.9
152.99535	1.7
179.86209	0.9
194.37111	0.9
200.97562	0.8
217.12323	1.8
229.12314	1.7
233.11797	3.9
233.65775	1.0
247.13335	2.6
252.99698	1.8
253.54584	1.0
272.73682	0.9
279.23270	9.3
283.15515	14.2
458.56146	1.0
514.28961	1.1
515.29053	3.3
580.48553	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98583	0.9
51.98780	0.5
59.00978	0.9
59.01244	11.2
69.17265	0.5
70.39166	0.4
71.01243	2.4
71.07430	0.4
78.95753	2.2
85.02808	0.6
89.02293	2.4
96.53910	0.5
101.02290	2.2
109.01453	0.5
113.02305	0.9
119.03384	0.7
125.16698	0.5
132.30707	0.5
145.02834	0.5
152.99483	1.0
158.84599	2.8
159.02859	0.5
160.84114	38.7
161.04391	0.8
163.04663	0.4
178.00592	0.5
213.58315	0.4
235.08194	1.3
250.18474	0.5
252.99786	1.5
253.09305	12.8
279.23303	100.0
280.23529	1.4
301.66293	0.5
303.23355	0.8
415.24860	0.7
459.54297	0.6
525.14301	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	13.0
59.02504	0.2
59.06335	0.1
61.98700	0.3
66.33163	0.2
71.01236	2.3
73.02808	0.6
83.01249	0.3
83.57296	0.2
85.02795	0.8
87.00716	0.3
89.02290	2.7
99.00726	0.2
101.02308	3.6
102.11147	0.2
113.02318	1.1
115.33543	0.2
116.88743	0.2
119.03354	0.7
133.04970	0.3
161.04420	1.0
167.03444	0.2
173.67935	0.2
179.05540	0.3
235.08212	1.7
253.09288	13.2
261.22318	0.3
279.23297	100.0
280.23639	2.4
283.15515	0.3
410.51056	0.2
417.74371	0.2
515.32355	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	575.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00067	0.3
59.01244	16.6
59.02530	0.3
61.98687	0.4
71.01234	2.1
73.02795	0.4
78.95737	0.4
85.02786	0.3
89.02290	1.8
101.02296	2.8
113.02310	1.3
117.50813	0.3
119.03340	0.8
121.51111	0.3
136.31891	0.3
138.26378	0.3
143.03423	0.5
144.79692	0.3
152.99355	0.3
161.04433	1.1
176.43802	0.3
179.05475	0.4
187.97859	0.3
202.15901	0.3
235.08263	1.1
253.09294	10.6
261.22336	0.6
264.94104	0.3
269.65454	0.3
279.23303	100.0
280.23618	2.4
481.34937	0.4
503.30035	0.4
515.32715	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61900	0.5
57.99373	0.5
58.02848	2.9
59.01244	1.4
61.98675	0.6
63.53425	0.6
70.02839	6.9
71.01228	0.9
71.02366	2.3
73.02804	0.6
73.03938	3.2
78.88582	0.5
82.02833	3.3
85.02810	1.1
85.03953	1.4
87.00720	5.9
87.05495	6.9
90.89065	0.6
93.34232	0.5
95.02380	0.9
96.00779	3.8
96.95898	3.0
97.03915	0.6
99.01856	2.2
101.02309	1.1
109.03953	4.7
111.01833	1.6
112.03887	1.7
113.02273	1.0
113.03435	4.5
114.01835	14.7
125.02319	1.7
125.03383	1.2
126.01842	2.5
126.06579	4.2
127.05006	13.9
128.03510	1.4
128.04529	5.7
129.06572	10.1
131.04510	6.2
137.07088	4.6
138.05492	2.2
139.03990	0.6
143.04440	0.9
144.06618	1.3
144.07677	16.5
146.03606	2.9
147.04166	0.9
155.08138	1.0
156.07707	1.0
158.05949	2.8
160.07587	1.3
161.05962	1.5
163.04977	1.1
164.04680	2.1
165.05086	0.9
168.07709	5.2
170.05611	1.7
170.09319	1.5
173.04509	0.9
179.07039	7.6
180.07666	21.0
185.07101	2.7
186.08775	4.7
188.06708	0.9
191.05518	2.1
195.94536	0.6
196.10831	0.8
197.10370	1.6
198.08780	3.0
203.08199	18.3
213.10294	1.9
214.08476	0.6
215.11426	6.6
220.10854	8.3
230.09352	3.3
239.11520	3.8
240.09920	1.8
246.08972	0.8
257.09525	1.1
257.12509	10.5
267.08749	5.0
268.09061	4.2
280.59409	0.7
291.14618	0.9
306.07492	1.0
313.13052	0.9
327.30658	0.6
331.13962	1.4
348.16663	2.6
384.12985	5.1
390.17810	1.0
407.07364	0.9
419.20508	1.8
437.85406	0.6
443.20541	0.9
461.21570	33.0
462.21619	1.0
496.09662	0.9
532.25189	1.6
558.23022	5.8
576.24286	100.0
577.24872	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	576.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11335	0.4
54.03975	0.5
57.62047	0.8
59.01250	1.2
61.97482	1.6
61.98694	100.0
62.00066	1.2
78.70134	0.5
85.46181	0.5
89.02296	0.6
91.73349	1.0
94.70787	0.5
277.21777	3.4
277.24570	0.7
278.22220	2.7
279.22305	2.8
280.22504	0.7
308.34778	0.6
378.92877	0.6
409.55072	0.7
425.91174	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13831	0.1
59.01249	1.6
61.01672	0.3
61.97234	0.9
61.98694	100.0
61.99957	1.9
63.18177	0.1
65.35643	0.2
71.01242	0.2
75.68949	0.1
89.02328	0.2
91.73328	0.3
93.83818	0.2
101.02316	0.3
120.62988	0.1
160.84166	0.6
173.55379	0.1
253.09436	0.5
254.09761	0.5
255.09805	0.7
256.10168	0.2
277.21741	3.5
278.22070	5.4
279.22342	3.8
280.22754	1.1
433.54880	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	576.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78477	1.4
59.00964	2.4
59.01241	25.3
61.98698	9.4
78.95759	19.7
124.53578	1.2
152.99477	4.7
161.18045	1.2
168.04147	3.4
173.14731	1.4
224.06886	9.5
239.12263	1.6
242.07988	1.7
246.27435	1.3
262.81509	1.4
277.21735	100.0
278.22025	3.6
278.55652	1.4
410.62943	1.6
502.29422	72.7
503.29782	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	576.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	17.4
60.95413	0.6
61.98696	13.5
65.99702	1.7
67.01723	0.7
67.79656	0.8
69.03317	0.8
78.95766	4.9
79.01713	0.8
81.03306	8.0
81.43436	0.7
95.01237	2.9
95.66428	0.8
107.01227	5.0
108.02040	1.0
109.02788	1.0
123.00755	3.2
123.07986	0.8
125.02304	8.8
135.04405	1.2
139.22855	0.9
151.00259	26.1
152.99503	1.0
168.04167	2.0
182.02089	0.9
193.81230	1.0
224.06921	1.8
224.54916	0.7
242.07990	2.6
260.10498	3.4
277.21716	100.0
278.22055	2.6
335.11453	1.5
350.14026	1.5
380.73541	0.9
383.14963	16.7
502.22049	1.9
502.29425	35.8
503.29767	1.1
571.30011	1.1
593.67841	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38094	0.3
70.13986	0.4
79.95564	0.4
82.06112	0.4
84.33002	0.4
84.51756	0.5
94.85100	0.9
94.85677	0.8
96.95867	15.5
108.02027	9.4
109.02812	3.7
121.02783	0.5
123.04357	3.6
140.18974	0.4
152.01041	21.8
153.01831	5.2
153.78636	0.5
163.11169	7.6
167.02003	0.8
167.03401	15.3
173.56474	0.5
199.04068	0.4
200.04684	1.6
211.04105	0.5
212.04720	1.7
213.01889	3.7
227.03424	4.5
228.04250	3.4
239.03516	0.5
240.04367	0.7
241.01437	0.8
242.02312	0.8
243.02974	0.6
255.02979	4.2
256.03757	16.6
257.04379	0.5
258.05899	0.4
259.02451	1.2
267.02994	1.7
268.03732	2.0
269.04633	1.0
270.01715	3.9
270.05237	1.0
271.02524	1.4
283.02454	0.6
283.06268	0.6
284.03262	25.9
285.04041	4.7
295.02451	0.9
296.03259	6.8
297.04010	1.7
298.04852	5.1
299.05615	62.2
300.06006	1.6
311.05664	9.1
312.06168	0.7
313.07193	6.7
314.04367	2.7
328.05820	1.3
329.06714	16.0
343.08109	1.8
409.02127	2.9
438.09418	0.9
453.11688	0.5
497.10922	100.0
498.11203	4.0
577.06610	18.1
578.07050	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1355
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
53.10111	0.7
55.28897	0.9
57.03310	11.0
69.26362	1.0
81.03303	2.6
83.01240	4.7
93.03316	2.3
95.04906	2.2
96.95867	11.5
97.02817	4.6
97.37123	0.9
98.95469	4.1
98.96323	1.4
107.04893	1.2
109.02812	22.4
113.33638	0.9
121.02820	4.6
122.03619	1.6
123.04386	18.1
125.02313	100.0
131.04900	1.4
133.02824	4.3
135.04398	3.7
137.02318	20.7
139.03893	4.2
146.03619	1.2
147.04424	1.2
149.02324	5.7
149.05986	1.4
150.03087	1.4
151.03896	17.3
157.06528	1.0
159.04433	4.1
160.05186	1.4
161.02339	26.9
161.06010	5.4
162.03046	2.2
163.00253	2.2
163.03920	4.5
164.01064	5.6
165.01770	6.1
167.03471	1.3
175.03957	10.3
175.07518	1.8
177.01859	7.5
177.05400	1.3
179.03383	5.6
183.04504	1.6
185.05965	1.5
187.03929	8.5
188.04709	4.8
199.03943	1.2
201.05473	1.2
202.06244	2.3
203.03400	2.3
203.07043	12.8
205.01408	3.8
205.05035	8.1
210.36966	1.0
212.04826	1.4
213.05516	1.9
215.03456	2.2
217.05132	2.7
221.08167	2.2
227.03516	1.5
227.07161	2.1
229.05026	3.4
230.05766	1.2
231.02945	1.3
243.02954	2.5
243.06604	1.3
245.04492	5.8
245.08200	15.0
247.05988	2.5
253.05000	1.2
255.02979	10.4
256.03860	4.1
257.04654	2.4
269.04565	2.3
273.04013	4.8
281.04575	3.5
283.02512	2.6
285.04053	3.2
287.05624	9.0
288.02905	1.3
289.07187	76.3
295.28961	1.1
297.07327	1.5
299.05658	4.5
329.06848	2.2
331.08356	1.2
339.08856	4.0
381.09708	2.8
407.07730	61.4
408.08051	1.5
425.03174	1.3
425.08807	21.9
433.09210	1.5
451.10410	13.3
533.15436	1.3
577.13232	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	577.1564
Annotation	Kaempferol 3-rhamnoside-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
51.29448	0.4
57.95514	0.4
58.94362	0.4
59.01244	3.9
61.98686	0.8
62.67835	0.5
63.31030	0.5
67.23525	1.2
67.23843	0.7
73.02792	1.2
83.01250	0.6
84.94960	0.5
89.01349	0.5
89.02280	0.8
89.03405	0.5
91.73334	1.1
93.03323	0.6
96.95828	0.6
98.10394	1.1
98.11008	0.9
101.02303	1.2
107.01242	2.0
110.44119	0.5
113.02355	1.0
119.62590	0.5
125.42803	0.5
128.03419	1.1
131.64726	0.6
132.02048	1.1
135.00766	1.2
142.35440	0.5
143.04585	0.6
148.02937	0.5
151.00247	2.3
163.00266	1.1
163.11102	0.7
169.01385	0.7
178.99678	1.1
182.86287	0.6
183.04424	0.6
186.45079	0.6
187.03905	0.7
199.03889	0.5
209.11934	0.7
209.59059	0.5
211.03943	1.8
213.05431	0.6
227.03452	33.7
228.03925	0.8
229.05016	2.0
239.03618	0.6
255.02979	73.7
256.03601	5.8
257.04477	1.4
271.70187	0.5
283.02451	1.6
284.03265	100.0
285.03946	15.1
286.04285	1.6
287.04599	0.7
306.07587	1.0
311.22437	0.7
413.08704	1.0
464.50739	0.5
533.29773	5.0
577.15656	76.3
578.15912	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	577.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92131	6.2
54.51113	4.9
58.05943	4.9
59.01235	31.7
61.98693	100.0
68.32477	6.8
71.01230	9.4
71.64615	5.9
78.95742	5.6
80.96381	17.8
84.89925	6.3
94.97937	6.3
103.93662	7.3
107.04860	12.1
116.71117	5.7
118.51139	6.5
121.02827	8.0
122.33614	6.6
133.02803	8.3
179.03400	7.9
182.01086	7.4
193.10335	7.5
210.79333	8.1
233.11806	19.1
243.10448	8.2
259.09851	11.2
260.10468	15.1
261.11356	10.9
342.88754	7.8
371.23428	9.8
416.19260	8.2
485.98114	7.8
517.27753	14.1
520.16016	8.0
541.24512	24.2
577.27234	40.9
577.36108	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89397	0.3
57.37611	0.3
59.01248	0.9
60.99174	0.4
61.23270	0.3
61.98311	0.3
63.96094	0.7
66.63844	0.3
69.03306	0.5
71.01237	5.7
73.02801	1.6
78.95744	0.3
78.98452	4.5
79.95594	8.1
80.87339	0.3
80.94469	0.8
80.96375	51.1
80.98515	0.6
81.03311	0.6
85.02799	3.0
87.00737	2.5
88.03900	0.4
88.98659	2.6
89.02293	4.0
94.97943	12.5
95.97758	0.3
96.95873	0.8
97.02807	1.5
97.03351	0.4
101.02302	1.7
106.97946	3.1
109.68298	0.3
122.97459	2.6
125.02317	2.6
127.03868	0.8
132.39565	0.3
134.97462	4.0
136.99042	1.1
148.99022	5.7
152.98520	4.8
160.84100	3.2
162.83861	0.9
164.98541	10.4
167.00096	0.5
167.06245	0.3
206.93498	1.2
206.99654	1.8
225.00708	12.5
267.79364	0.3
277.21744	0.9
299.04440	2.4
300.01343	0.4
303.23312	1.1
474.07516	0.4
528.31519	0.5
577.26935	100.0
578.27509	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89119	0.4
54.01961	0.4
57.71310	0.4
59.01230	1.8
62.54426	0.4
63.96101	0.8
68.77606	0.5
71.00925	0.6
71.01242	6.2
73.02782	1.4
78.95762	0.8
78.98450	4.1
79.95592	8.2
80.96373	52.7
80.98411	0.7
81.03327	0.6
85.02810	2.6
87.00724	2.1
91.03879	0.4
94.97940	12.8
96.95869	0.8
97.02808	2.3
99.00714	0.6
101.02305	2.2
106.97955	2.9
117.03342	0.6
119.04897	1.2
122.97455	5.3
125.02286	3.2
127.03849	0.6
134.97432	4.4
136.99004	1.1
143.03354	0.7
145.02826	2.1
146.29549	0.5
148.99033	5.6
150.96991	0.6
152.98514	7.3
155.55791	0.5
160.84128	2.3
162.83792	1.3
164.98537	11.2
167.00217	0.6
182.99625	1.6
206.93523	1.3
206.99625	3.1
225.00694	14.1
243.01744	1.5
262.27716	0.6
277.21716	3.3
278.22119	1.7
299.04489	2.3
403.24664	1.3
426.48618	0.6
453.42673	0.6
503.29602	1.8
577.26929	100.0
578.27258	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	577.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57626	0.9
57.03309	1.4
58.31073	1.1
59.01241	28.7
61.98694	3.2
69.03288	1.5
71.01231	7.9
73.02824	1.3
75.13087	1.3
75.51791	1.1
76.09131	1.0
80.00869	1.1
81.32844	1.3
83.01251	1.5
85.02787	3.0
87.00714	1.8
89.02293	10.4
89.05794	1.3
96.95869	3.7
101.02306	12.3
102.99483	1.1
108.80972	1.2
110.92638	1.2
111.00677	1.5
111.08006	16.6
113.02312	5.0
119.03365	2.9
123.08035	2.2
125.09578	7.1
137.09573	1.4
138.79753	1.2
141.09064	2.8
151.07553	5.9
161.04419	7.3
163.58054	1.8
165.12785	1.4
169.08594	62.7
171.10182	6.8
175.02357	1.8
183.10175	11.7
199.09656	3.7
219.17384	1.3
235.17052	5.0
237.14931	2.2
253.09276	57.0
263.16559	26.0
276.55246	1.4
281.17569	100.0
282.17914	3.3
317.15771	1.6
341.23453	3.7
459.63547	1.5
517.26794	2.5
533.29584	4.9
577.32037	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	577.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	1.4
58.27452	1.1
59.27677	1.0
60.57587	1.0
61.98731	1.2
89.18503	1.1
91.72707	1.3
96.66046	1.2
97.06452	2.3
99.08025	4.4
123.04367	3.6
149.06009	3.5
149.20837	1.1
157.06583	1.7
164.09604	1.2
210.06822	1.4
223.07587	1.9
227.10918	1.7
229.12338	2.0
237.09105	2.3
250.38440	1.5
273.98975	1.5
281.15610	1.6
283.17377	1.4
289.25647	2.1
293.21320	3.7
295.16931	1.5
308.14063	1.5
315.23172	2.4
333.24374	13.7
335.16376	2.2
339.23395	3.8
346.55252	1.5
367.22971	3.7
379.26260	1.9
385.23654	1.7
399.29111	16.9
405.24326	13.6
417.30133	22.9
421.27469	2.2
423.25439	23.9
443.27985	3.5
487.32254	2.2
505.33157	7.1
523.34283	100.0
524.34583	5.1
541.35388	39.9
542.35596	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	577.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	1.3
58.79002	1.1
59.01233	1.7
92.50254	1.4
97.06447	2.4
99.08013	4.0
123.04401	2.5
139.11205	1.7
149.05922	2.0
185.06194	1.7
185.08401	2.1
199.07597	1.6
227.10759	2.0
293.21426	3.0
295.17398	2.0
315.91318	1.7
325.61563	1.7
333.24432	8.8
339.23111	3.5
367.22809	4.0
379.26517	2.2
381.27737	1.7
399.29083	10.9
405.24323	20.6
417.30203	21.4
421.27420	2.6
423.25424	27.8
439.28363	1.8
505.33401	7.5
523.34296	100.0
524.34930	6.7
541.35400	29.5
548.65576	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	577.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00975	0.8
59.01243	13.0
64.55761	0.5
69.68085	0.6
71.01231	2.0
89.02291	2.2
101.02283	1.7
104.97832	0.7
113.02306	1.3
114.63116	0.6
121.70750	0.6
148.66057	0.7
161.04440	1.2
169.19354	0.7
235.08214	2.1
253.09277	11.3
281.24869	100.0
282.25247	2.0
297.61401	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00975	0.9
59.01244	11.2
60.97353	0.4
61.98683	1.1
66.76722	0.4
70.74914	0.6
71.01226	1.8
73.02789	0.9
85.02805	0.9
89.02322	2.9
91.03859	0.5
91.72744	1.3
101.02279	3.0
113.02290	0.8
119.03385	0.9
129.94553	0.5
143.46878	0.5
143.86285	0.5
157.33809	0.5
161.04460	0.8
190.77925	0.5
235.08246	1.1
243.78644	0.5
253.09242	11.7
259.09668	1.0
281.24863	100.0
282.25192	2.6
423.05670	0.6
438.40341	0.6
479.28339	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.4
59.69439	0.3
61.60382	0.4
61.98698	0.7
66.03352	1.3
70.02843	0.9
78.95762	9.0
80.04921	2.0
82.06480	0.8
84.08055	1.2
85.03930	6.3
87.05494	9.4
94.06462	2.0
94.58626	0.4
96.03168	1.0
96.08069	0.8
96.95834	0.6
96.96835	3.0
97.00286	0.9
97.03925	2.8
98.02345	1.0
111.01860	1.5
113.03418	6.0
113.82449	1.0
113.83262	0.8
115.08635	11.9
122.04742	1.1
123.09190	0.4
125.07069	2.0
126.05463	0.6
127.08706	0.5
129.10213	6.5
130.08624	1.4
134.04608	1.4
139.05037	0.6
139.08641	4.7
140.07047	6.8
140.10689	0.6
141.06602	2.4
141.10217	0.9
143.08138	1.3
144.95428	0.4
145.02869	0.5
151.08720	0.8
152.99663	0.4
153.10226	3.1
155.08191	3.6
155.11784	9.1
156.07681	0.6
165.10236	10.9
166.07414	0.7
166.08623	0.8
166.09795	0.6
167.08148	6.3
167.11794	0.8
168.08841	0.6
169.09775	0.8
169.13377	0.6
180.11362	0.7
181.09756	3.4
181.13361	0.9
182.12903	12.2
183.11301	4.8
183.14941	1.8
184.10835	6.9
193.13484	2.2
194.09302	0.4
194.11742	1.1
195.11452	0.5
195.15031	0.8
197.16510	8.5
198.12521	1.0
200.13982	16.3
207.15015	0.5
210.16106	1.5
211.14546	3.6
212.10382	0.8
221.12959	0.4
223.14485	1.5
225.15988	0.7
226.11986	1.3
228.17105	4.2
236.17673	1.3
238.15562	1.0
252.20801	2.5
254.15112	0.8
254.18781	1.1
268.20334	9.9
270.21823	0.5
278.18619	0.7
279.18436	0.7
281.19843	16.8
294.18393	0.8
295.21375	1.4
297.19434	1.1
299.20898	5.8
307.21283	0.7
309.15970	0.6
309.19379	1.4
313.22717	0.5
324.17978	0.6
325.18918	3.7
325.22348	0.6
327.20551	1.2
339.24185	0.6
346.05569	6.9
349.26132	0.8
350.22159	2.7
365.29251	0.6
367.27161	2.1
368.23041	72.0
369.23361	1.5
381.28748	2.3
382.24585	2.8
407.26602	3.6
410.27716	4.7
436.29474	2.0
441.28400	0.5
480.35660	0.5
490.34140	1.8
500.62027	0.5
505.60883	0.5
508.35175	0.9
516.35425	0.6
533.38214	5.1
541.24457	0.7
577.37244	100.0
578.23956	0.7
578.37567	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	577.4241
Annotation	3-demethylubiquinol-6
Peak:m/z	Relative Intensity
51.05724	0.8
60.66095	0.9
64.66257	0.8
66.74522	0.9
75.31415	0.9
78.95769	11.2
82.29185	1.1
95.62216	1.1
125.09620	1.3
151.78384	1.0
152.99506	5.9
159.10172	1.1
160.84000	1.0
162.83827	1.4
187.09604	1.3
255.84462	1.0
265.46103	1.0
275.20078	1.2
277.21741	100.0
278.22083	2.2
295.39270	1.0
341.10071	2.0
495.31454	1.5
577.33270	2.5
577.42438	50.3
578.42792	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	578.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33672	0.4
59.01236	1.0
62.96846	0.3
71.01235	6.4
71.04875	9.5
71.05266	0.5
72.00753	0.6
82.39244	0.4
82.65231	0.3
88.01643	1.1
88.03893	71.9
96.95872	2.2
99.04363	3.3
116.03403	0.5
116.07055	1.9
119.30569	0.5
129.05412	1.2
130.20718	0.4
146.03371	0.5
146.08113	35.5
163.22568	0.4
171.98334	0.4
218.01613	1.1
218.10286	100.0
219.10564	0.7
240.08601	0.5
394.25308	0.4
591.88361	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67259	0.3
54.16951	0.3
54.86973	0.4
59.00062	0.4
59.01242	20.2
61.98415	0.6
61.98694	8.0
64.06455	0.3
67.46227	0.3
69.17927	0.3
73.38572	0.3
78.95761	19.0
91.79325	1.2
91.79915	0.6
96.96811	0.5
125.02405	0.5
151.00223	0.9
152.99492	4.1
153.81508	0.4
168.04234	3.5
177.03110	0.7
203.48782	0.4
224.04631	0.6
224.06876	9.8
242.07979	2.1
251.48601	0.4
261.22281	0.7
279.23300	100.0
280.23553	2.7
360.11530	0.6
365.20273	0.4
504.31003	64.7
505.31262	2.2
539.42175	0.5
579.27515	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86986	0.2
56.38588	0.1
59.00128	0.2
59.01241	14.4
59.02494	0.3
61.98689	0.3
63.67919	0.1
78.95756	4.9
96.96840	0.2
152.99461	1.4
168.04218	1.5
197.28413	0.1
212.68045	0.1
224.06892	0.9
242.07956	2.5
261.22293	0.3
279.23285	100.0
280.23648	3.1
282.87906	0.1
289.71857	0.1
413.67435	0.1
504.30988	30.7
505.31281	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77015	2.5
59.01246	15.4
63.69083	3.0
71.01227	4.4
87.00708	3.9
96.95873	58.8
108.02037	30.7
117.44325	3.0
122.97453	6.2
123.04416	18.0
152.01038	90.8
156.75128	3.6
167.03409	74.9
167.04810	6.7
202.62115	3.7
209.94803	7.0
222.97466	3.5
224.97223	11.4
225.05554	4.7
229.05122	5.0
232.07439	3.5
241.05164	4.0
242.05780	6.1
243.06638	12.8
253.04990	3.9
254.02136	11.6
254.06107	5.6
271.06198	10.9
272.06964	22.6
275.05667	10.9
282.01810	4.4
285.07922	4.1
287.09259	10.4
300.03436	3.6
301.07327	8.7
313.07068	6.7
326.01157	3.8
327.12555	4.5
331.08249	100.0
339.12476	4.2
369.99689	7.5
393.14218	3.4
411.03995	36.0
413.98569	4.4
441.54260	3.8
481.11606	10.4
499.12561	41.5
517.00116	5.6
535.08923	3.9
579.08240	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02891	0.5
51.74240	0.5
52.70318	0.7
55.03756	0.6
55.39753	0.5
56.93449	0.6
57.03325	4.8
59.01238	3.5
66.70757	0.7
69.03303	0.9
71.01229	1.6
72.99194	0.6
73.02809	0.7
81.03297	1.8
82.66241	1.2
83.01228	1.9
85.02788	1.0
89.02284	1.3
93.03292	1.1
95.04871	1.2
96.95863	5.2
97.02806	2.2
99.04375	3.6
101.02305	2.2
109.02805	1.9
113.02280	1.0
113.05962	0.9
115.58185	0.7
121.02792	0.8
123.04378	1.6
125.02316	13.7
135.04373	0.8
137.02327	4.6
139.03886	2.3
145.06429	1.0
147.04462	1.2
147.91524	0.7
149.02338	1.4
151.03886	2.1
153.01840	0.7
159.04414	1.6
161.02382	1.5
161.04517	0.9
161.06001	1.2
163.03883	1.2
164.01067	4.6
165.01819	5.2
167.03448	7.7
173.05997	2.5
175.03931	2.9
177.01865	2.2
179.03419	8.2
183.04430	2.7
185.02371	0.8
185.05988	2.1
187.03934	3.8
189.05516	5.5
191.03532	1.2
195.04520	0.9
199.03972	2.9
201.05527	4.9
203.03493	6.1
204.04231	5.4
205.01457	0.9
205.04997	4.2
211.03955	7.0
212.04666	1.2
213.01897	8.1
213.05550	1.5
214.02621	1.3
214.58617	0.8
215.03477	4.1
217.05022	8.3
218.05748	0.8
219.06485	1.3
227.03499	7.5
228.04173	1.5
229.05032	8.6
229.26199	0.7
230.02104	2.1
231.02954	19.2
232.03748	8.0
233.04524	10.9
239.03522	6.3
241.05203	4.0
242.02182	1.1
243.02921	3.3
244.03816	1.6
245.00896	1.1
245.04529	10.4
246.05295	1.2
247.02428	1.1
247.06065	2.8
251.03426	2.1
253.04970	0.9
255.02995	2.3
256.03772	2.8
257.04562	50.0
258.01730	4.1
258.04340	0.8
259.02399	4.2
260.03265	1.4
261.04022	9.3
265.05215	1.0
267.02982	3.6
269.04608	3.6
271.02634	1.1
272.03259	2.0
273.04077	21.6
274.04739	2.0
275.05609	9.0
279.02798	1.4
279.06641	1.9
280.03705	0.8
281.04654	1.2
283.02390	1.1
285.04077	17.6
286.04782	0.9
287.05734	1.8
287.09225	0.8
291.06778	0.7
293.04517	1.2
297.04099	6.8
301.03391	5.1
302.04388	0.8
303.05121	13.3
309.03995	0.8
311.05594	0.9
315.05051	1.7
319.05853	0.7
327.08820	0.8
337.07178	1.9
361.07193	1.0
369.09756	0.8
379.08405	1.0
388.66379	0.7
395.07782	1.2
395.28934	0.8
399.07339	3.4
405.06097	2.1
411.07187	1.0
413.08969	1.1
417.17743	1.0
423.07236	5.8
435.07104	1.3
435.18564	4.3
441.08295	100.0
442.08673	3.3
453.08481	3.1
535.12115	1.2
561.10138	2.5
579.11224	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	579.1299
Annotation	Kayaflavone
Peak:m/z	Relative Intensity
53.93667	0.4
54.84985	0.5
63.02248	0.6
65.00183	8.9
70.14934	0.5
77.82903	0.5
78.95773	0.8
80.96368	1.1
84.33461	0.5
89.00176	2.9
91.01756	2.5
97.02805	6.2
105.27057	0.5
117.03332	4.1
117.33385	0.8
119.04926	0.8
119.80710	0.5
121.02808	3.0
121.60326	0.6
130.81923	0.5
140.69926	0.7
145.02834	1.6
149.99495	3.3
153.22525	0.6
160.01646	0.6
160.84142	2.8
160.86345	0.6
162.83801	7.5
163.03906	0.7
164.83539	1.0
165.01833	26.0
183.02930	0.6
279.23322	3.0
280.23715	1.0
299.03693	0.7
301.05206	0.8
305.04758	1.5
309.05429	0.8
310.14111	0.6
316.03790	1.1
317.04544	1.0
320.07047	0.9
322.04816	0.6
329.04688	3.5
331.06100	4.3
332.06781	0.8
341.04584	1.1
343.06149	1.4
345.04068	9.8
356.03314	1.9
360.06439	1.1
366.05399	0.7
367.06131	2.3
371.05768	3.6
373.03461	1.7
385.03534	1.0
388.05905	43.9
389.06519	0.7
400.02438	3.3
403.08246	36.6
404.08633	1.6
414.03778	1.0
415.04608	13.0
415.24860	1.2
429.06143	1.3
445.07059	1.0
461.06503	0.9
487.08414	0.8
489.06152	1.7
501.05627	0.8
503.07666	9.6
504.08456	1.1
517.05164	0.9
519.10046	1.0
531.07257	10.0
532.08008	9.1
533.08923	4.2
547.10370	52.8
548.10510	2.0
564.06818	3.2
565.11432	7.8
579.13013	100.0
579.28351	3.0
580.13452	3.7
588.13330	1.1
591.09186	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60918	0.4
54.62744	0.4
55.70398	0.4
58.99879	0.7
59.00183	1.3
59.01244	100.0
59.02469	1.7
69.03352	0.5
73.02806	0.7
85.72595	0.5
86.60152	0.5
89.02299	0.6
95.15080	0.4
99.05499	0.6
101.02336	0.7
107.01257	1.3
109.02831	0.5
109.96425	0.5
113.02317	0.4
114.93288	1.2
116.92706	0.6
121.02846	1.1
125.42402	0.5
127.32700	1.0
128.03426	1.1
135.00755	1.2
143.04573	1.2
145.02875	0.7
151.00310	1.0
159.04364	0.9
160.00633	0.5
161.02341	0.5
163.00272	1.4
163.03925	0.6
169.06499	0.6
173.71048	0.9
175.03896	2.5
178.31998	0.7
179.07050	0.5
179.32326	0.4
185.06049	1.6
187.03934	1.8
189.05482	0.8
190.06287	1.4
197.05981	0.8
198.68198	0.8
199.04091	0.8
211.04016	1.6
213.05478	1.1
222.05266	0.5
227.03462	16.9
229.05040	6.6
235.07536	0.5
239.07227	0.7
241.05132	1.4
251.07121	0.9
253.04797	0.9
253.08760	1.1
255.02994	25.2
256.03705	2.0
257.04590	4.5
261.05576	1.1
263.07233	1.6
267.03226	0.5
267.06473	1.0
269.08273	2.8
270.33926	0.5
279.06644	1.8
281.08228	3.8
283.09555	0.6
284.03281	30.7
285.04065	47.1
286.04498	1.2
291.06815	0.8
292.07480	0.6
293.08212	0.8
294.09079	1.4
296.10477	1.3
297.07697	13.1
306.07727	2.7
307.07584	0.8
308.10611	1.8
309.07724	17.6
309.11346	4.8
311.09390	0.7
312.10052	10.8
323.09210	2.2
324.10043	13.6
327.12411	49.4
328.12811	0.7
339.12384	46.4
382.18936	0.5
416.99240	0.5
417.15759	0.7
549.48431	0.5
579.13580	44.8
580.13641	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	579.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01230	1.6
60.94912	0.4
64.91927	0.3
67.23534	0.4
71.13282	0.6
74.02314	0.4
80.86458	0.4
83.01247	0.8
84.94975	0.5
85.85783	0.5
89.02285	0.7
90.45804	0.4
91.01739	0.5
92.14808	0.6
92.33638	0.5
93.03316	1.3
96.95892	0.7
98.24300	0.5
98.24807	0.4
98.44698	0.9
98.45303	0.8
100.86913	0.4
107.01253	2.2
108.02035	0.6
112.03921	0.4
125.02362	0.7
125.03420	0.4
132.02002	0.5
133.66411	0.6
135.00757	1.5
143.04939	1.0
151.00247	3.5
153.01825	0.7
157.06525	1.0
159.04454	0.6
163.00238	2.5
164.01003	0.8
167.04857	0.6
169.06526	0.7
171.04424	1.0
173.05954	0.5
175.02374	0.7
175.03882	0.5
178.99805	0.6
183.04454	0.6
185.02267	0.6
185.06021	2.5
187.03934	2.3
189.05424	0.7
192.00722	0.4
195.04463	0.9
197.05992	1.0
199.03912	1.2
200.62433	0.4
201.05579	0.5
211.03967	2.9
212.04706	0.5
213.05516	1.4
214.02660	0.4
225.05263	0.6
227.03462	33.1
228.03984	0.8
228.93343	0.4
229.05034	13.4
239.03523	1.6
240.04274	0.9
241.05025	1.4
243.02968	2.8
253.04686	1.5
255.02983	61.6
256.03699	5.2
257.04520	7.8
267.02945	1.0
271.02530	10.6
271.05441	0.6
272.03006	0.7
283.02466	0.7
284.03275	59.1
285.04059	91.3
286.04379	1.5
300.02756	20.4
301.03229	0.7
327.05203	1.1
472.27304	0.5
579.13599	100.0
580.13873	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	579.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01077	0.6
55.45562	1.2
58.99984	0.4
59.01243	27.3
59.02377	0.4
69.03329	0.3
71.01243	2.9
73.02811	0.9
79.55131	0.3
83.01218	0.4
84.38171	0.3
85.02801	1.0
89.02290	1.0
93.03310	0.5
96.95857	0.5
99.00718	0.4
101.02304	1.6
108.02041	0.8
109.02805	0.6
110.38963	0.3
113.02319	1.1
116.92711	0.6
119.03358	0.5
121.02819	3.7
122.03600	1.5
123.00761	0.6
124.01538	0.7
134.03645	0.5
135.97105	0.4
136.01538	36.4
137.02307	2.6
137.83655	0.4
149.06020	0.6
151.03899	57.8
151.98711	0.5
157.68138	0.3
159.04369	0.4
160.05188	1.1
161.04446	2.9
162.03162	1.3
163.03905	1.9
163.05994	0.3
167.52965	0.5
168.11832	0.3
172.82117	0.4
175.03992	0.9
175.07570	1.5
177.05507	1.0
179.03380	0.4
192.72615	0.3
236.04407	0.3
256.12686	0.4
281.07968	0.4
321.55807	0.3
327.08798	0.8
338.64029	0.4
339.12366	0.8
342.11093	14.3
357.13464	100.0
358.13904	1.8
547.54810	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99907	1.0
59.01241	100.0
59.02420	2.0
61.08117	0.4
63.15015	0.4
71.01260	1.1
73.02795	0.8
103.98777	0.5
114.93277	2.2
115.03831	0.8
116.92712	0.8
121.02850	1.5
125.03440	0.8
137.02342	0.5
137.07133	0.6
143.04565	0.6
143.49515	0.4
145.02847	0.8
160.03838	0.5
163.03784	0.7
173.71057	1.2
175.03961	1.5
178.31940	1.3
179.04544	0.5
190.06282	1.4
201.00490	0.5
222.05244	1.2
225.05226	1.0
227.03474	3.9
229.05101	1.3
233.90768	0.5
239.07320	0.7
251.07126	0.9
253.04689	2.4
253.08760	1.2
255.02953	5.8
257.04651	1.1
261.05634	0.7
263.07175	1.5
267.06549	0.6
269.08188	1.9
271.03113	0.6
271.05862	0.6
279.06741	2.0
281.08240	4.4
282.08792	0.6
284.03278	6.6
285.04007	10.3
291.06686	0.7
293.08353	1.2
294.08987	2.1
296.10596	1.1
297.07684	11.6
297.10831	0.6
308.10645	2.0
309.04218	0.9
309.07678	15.3
309.11307	3.7
311.09015	0.6
312.10034	10.4
323.09186	2.2
324.10028	13.9
327.12381	49.0
328.12653	1.6
339.12381	45.1
339.28671	0.6
340.12955	0.8
341.03357	0.5
357.13623	0.6
361.38071	0.5
579.13708	8.9
579.26196	1.1
580.13763	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01077	0.6
55.45562	1.2
58.99984	0.4
59.01243	27.3
59.02377	0.4
69.03329	0.3
71.01243	2.9
73.02811	0.9
79.55131	0.3
83.01218	0.4
84.38171	0.3
85.02801	1.0
89.02290	1.0
93.03310	0.5
96.95857	0.5
99.00718	0.4
101.02304	1.6
108.02041	0.8
109.02805	0.6
110.38963	0.3
113.02319	1.1
116.92711	0.6
119.03358	0.5
121.02819	3.7
122.03600	1.5
123.00761	0.6
124.01538	0.7
134.03645	0.5
135.97105	0.4
136.01538	36.4
137.02307	2.6
137.83655	0.4
149.06020	0.6
151.03899	57.8
151.98711	0.5
157.68138	0.3
159.04369	0.4
160.05188	1.1
161.04446	2.9
162.03162	1.3
163.03905	1.9
163.05994	0.3
167.52965	0.5
168.11832	0.3
172.82117	0.4
175.03992	0.9
175.07570	1.5
177.05507	1.0
179.03380	0.4
192.72615	0.3
236.04407	0.3
256.12686	0.4
281.07968	0.4
321.55807	0.3
327.08798	0.8
338.64029	0.4
339.12366	0.8
342.11093	14.3
357.13464	100.0
358.13904	1.8
547.54810	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76508	0.5
51.16666	0.7
54.45762	0.6
58.93903	0.6
59.00045	1.6
59.01242	81.2
65.36652	0.6
68.98482	0.6
69.03306	2.0
80.22482	0.6
93.03319	1.2
103.13493	0.6
107.04877	0.9
108.02024	4.4
109.02823	4.4
110.05589	0.7
119.04819	0.8
121.02821	14.9
122.03603	2.9
123.04403	3.7
129.23961	1.2
134.03593	8.2
135.04395	6.3
136.01546	26.1
137.02328	13.6
138.79707	0.8
143.04906	1.3
145.02831	4.9
146.03610	2.6
147.04410	4.9
149.02330	1.2
149.05940	5.9
150.03093	1.2
151.03894	24.1
157.06432	1.1
158.03624	1.5
159.04420	7.4
160.05191	8.9
161.05995	5.8
162.03046	1.8
163.03914	2.0
171.04395	2.3
172.05214	4.7
173.05962	5.7
175.03922	2.2
175.07599	4.3
176.04683	1.1
177.05432	2.1
185.06013	3.2
187.03938	2.0
188.04700	2.0
189.05513	10.1
190.06273	17.5
191.07034	2.8
197.05980	1.6
199.03926	1.3
201.05551	2.0
203.07085	2.3
204.07867	3.7
205.08612	8.0
209.06013	2.7
211.03993	0.9
211.07565	1.2
221.05948	0.8
222.06723	1.2
223.07574	1.5
224.04739	1.6
225.05556	4.6
226.06519	1.5
233.06096	0.9
235.07675	0.7
237.05551	5.8
238.06320	7.4
239.07114	3.8
240.04161	1.4
242.05759	0.8
247.07590	1.0
249.05510	2.2
250.06348	2.4
251.07190	2.1
252.04160	1.4
252.08002	1.5
253.05096	4.7
253.08728	1.6
254.05873	6.2
255.06540	2.9
259.06870	0.7
263.07153	2.4
264.07877	2.1
265.05060	5.3
265.08749	2.7
266.05853	13.2
267.06625	10.9
268.07535	4.4
269.08167	7.3
270.08734	1.9
275.07138	2.1
277.04837	0.7
277.08896	2.2
278.05829	2.4
279.06729	4.2
279.09549	0.9
280.07428	6.6
281.08212	15.4
282.08990	6.5
283.09756	5.7
287.07193	1.3
289.08701	1.7
290.09399	1.1
291.06665	3.1
291.10001	1.0
292.07397	2.6
293.08157	4.8
294.08984	2.5
295.06329	0.9
295.09735	2.8
296.10486	1.7
301.08560	1.2
303.06561	2.3
304.07397	1.6
305.08215	5.3
306.08978	2.6
307.09674	8.6
308.10580	2.1
309.07922	1.8
309.11362	2.4
314.08170	1.1
317.08258	1.5
318.08798	0.9
319.09753	2.1
321.07794	1.7
321.11191	1.5
322.08569	1.0
322.12097	1.1
323.09219	2.1
323.12726	1.1
324.10196	0.9
325.10959	0.9
328.09473	0.9
335.09195	2.2
337.10712	2.0
338.11737	1.0
350.11829	1.1
351.12341	1.2
365.13824	1.5
397.10611	1.0
414.11096	1.4
423.12531	0.9
426.11227	0.9
427.10739	1.1
429.13330	6.7
431.15015	1.0
441.13440	7.0
443.15128	6.8
444.15948	5.5
455.15088	2.1
456.16125	3.5
457.16754	1.3
458.17319	3.5
459.13300	1.8
459.18036	9.1
469.16760	2.1
471.13889	5.4
471.18463	6.9
474.16763	6.5
477.19455	3.4
486.16858	10.0
489.19211	53.6
490.19461	2.4
501.19214	59.3
502.19302	3.4
503.17102	0.9
507.19962	4.2
519.21332	4.7
529.18536	1.1
531.16565	10.0
534.19073	4.4
546.18970	12.3
549.21338	95.7
550.21460	4.9
561.21320	100.0
562.21796	6.0
581.72528	0.9
602.12317	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45497	3.6
57.03318	3.8
59.01244	22.5
59.34120	3.7
61.98690	100.0
72.55692	4.2
73.52242	4.6
73.88548	4.2
77.49088	4.5
84.53340	4.0
86.57174	4.8
94.35940	5.0
97.02810	16.8
107.04893	5.8
109.02822	10.3
121.02788	7.6
123.04414	6.6
135.04367	5.9
149.05962	5.1
151.00273	7.4
162.08882	4.6
166.63148	4.9
179.03362	9.9
217.12183	6.9
233.11829	14.2
259.09644	5.5
260.10568	49.2
261.11353	18.6
263.12747	7.1
277.10828	13.1
283.15533	9.5
314.14987	5.5
399.14850	5.2
420.65741	4.8
497.29108	6.0
518.28687	7.4
519.28058	8.8
543.25531	9.5
579.22772	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	579.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.6
55.97843	0.3
57.03306	1.0
58.00451	0.6
58.99989	0.5
59.01242	23.1
60.71556	0.3
63.33104	0.3
69.03313	0.6
70.99610	0.4
71.01239	23.5
71.03019	0.3
72.99163	1.6
73.02806	8.0
75.00738	0.8
81.87623	0.3
83.01234	2.3
83.04839	0.4
85.02802	8.2
87.00742	1.9
89.00020	0.5
89.02296	26.0
95.01244	1.0
96.95857	1.5
97.02788	1.5
99.00734	3.6
101.02301	16.2
109.02798	0.7
113.02303	7.2
115.03840	0.8
116.92694	1.0
123.04367	0.5
125.02328	2.0
125.05911	0.6
127.31293	0.6
129.01744	0.7
130.47511	0.4
131.03380	2.2
137.02295	0.5
143.03331	1.0
149.04440	2.3
159.02931	0.7
161.04457	6.4
168.14175	0.5
173.04472	1.3
173.92694	0.5
177.01802	0.4
195.85425	0.3
209.90417	16.8
210.90646	0.4
224.92776	11.3
228.87030	0.4
229.66780	0.5
233.06686	0.5
240.83508	0.6
263.07608	3.0
315.18149	12.3
316.18338	0.8
429.21426	1.6
447.16217	0.3
447.22336	8.8
579.26611	100.0
580.26923	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	579.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.6
55.97843	0.3
57.03306	1.0
58.00451	0.6
58.99989	0.5
59.01242	23.1
60.71556	0.3
63.33104	0.3
69.03313	0.6
70.99610	0.4
71.01239	23.5
71.03019	0.3
72.99163	1.6
73.02806	8.0
75.00738	0.8
81.87623	0.3
83.01234	2.3
83.04839	0.4
85.02802	8.2
87.00742	1.9
89.00020	0.5
89.02296	26.0
95.01244	1.0
96.95857	1.5
97.02788	1.5
99.00734	3.6
101.02301	16.2
109.02798	0.7
113.02303	7.2
115.03840	0.8
116.92694	1.0
123.04367	0.5
125.02328	2.0
125.05911	0.6
127.31293	0.6
129.01744	0.7
130.47511	0.4
131.03380	2.2
137.02295	0.5
143.03331	1.0
149.04440	2.3
159.02931	0.7
161.04457	6.4
168.14175	0.5
173.04472	1.3
173.92694	0.5
177.01802	0.4
195.85425	0.3
209.90417	16.8
210.90646	0.4
224.92776	11.3
228.87030	0.4
229.66780	0.5
233.06686	0.5
240.83508	0.6
263.07608	3.0
315.18149	12.3
316.18338	0.8
429.21426	1.6
447.16217	0.3
447.22336	8.8
579.26611	100.0
580.26923	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	580.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30365	0.2
59.01242	1.4
61.97239	0.7
61.97583	1.0
61.98694	100.0
61.99947	1.8
64.24714	0.2
66.87025	0.3
71.01250	0.3
84.30984	0.2
93.03353	0.6
96.95901	0.5
102.78717	0.2
111.04373	0.3
145.06096	0.4
152.99577	0.2
173.04453	1.3
283.19156	0.3
297.54712	0.4
339.55737	0.3
351.14795	0.3
519.39301	0.3
536.31580	0.5
544.07764	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	2.9
61.98686	4.6
78.95744	4.3
80.96400	0.7
85.12759	0.7
141.55626	0.9
152.85408	0.7
152.99484	1.0
168.04199	1.0
207.43999	0.7
223.21056	0.8
224.06953	1.0
242.08009	2.7
246.64548	0.7
249.15176	0.7
257.30762	1.0
261.11243	1.3
305.24869	100.0
306.25110	2.6
530.32550	35.4
531.32520	1.6
542.25183	1.9
554.66479	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15631	0.2
55.32442	0.4
59.01242	13.1
61.98692	2.8
61.99785	0.2
63.99109	0.2
78.95760	4.3
91.73408	0.2
92.32982	0.4
92.33505	0.3
120.41446	0.2
152.99471	1.3
164.83488	0.4
168.04254	1.3
196.09511	0.2
203.96410	0.2
219.25995	0.2
224.06905	0.9
242.07947	2.6
281.13147	0.9
281.24863	100.0
282.25174	2.5
409.53448	0.2
451.83243	0.2
506.32520	31.1
507.32751	1.0
580.28333	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68076	0.3
55.90788	0.3
59.01244	16.6
59.02312	0.4
61.98683	1.7
67.19810	0.3
77.78970	0.4
78.95763	15.4
92.32944	1.1
92.33549	0.6
99.07970	0.5
108.25098	0.4
152.99487	3.0
159.52052	0.5
168.04231	3.5
168.43088	0.4
178.64894	0.6
218.69398	0.4
224.06908	6.7
242.07967	2.1
281.12396	1.2
281.24872	100.0
282.25244	3.5
287.12024	0.5
337.51746	0.5
492.69669	0.5
506.32550	60.4
507.32672	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	581.1092
Annotation	5'-Methoxybilobetin
Peak:m/z	Relative Intensity
57.03309	0.3
59.01246	2.4
60.80721	0.3
63.02253	0.4
65.00189	2.8
66.24654	0.3
71.01235	1.0
73.02801	0.4
74.83304	0.3
83.01228	1.4
85.02802	0.3
86.22194	0.4
90.69692	0.3
93.03309	1.4
101.02280	1.0
107.01247	3.8
117.03325	8.2
121.02816	0.5
133.02806	0.4
137.02261	0.4
141.19530	0.8
145.02878	0.6
151.00247	6.7
161.02249	0.6
173.04463	1.5
179.89091	0.4
205.12263	0.4
209.02304	0.4
228.70071	0.4
265.01404	0.4
282.17310	0.4
288.04318	0.7
293.04538	0.6
316.03766	0.7
316.64459	0.3
317.04596	0.7
320.02890	0.4
332.03326	0.9
333.03955	0.9
333.24219	0.6
345.03967	0.8
346.04800	0.6
358.04672	0.5
359.05624	0.5
361.03540	7.6
372.02808	0.9
373.03598	0.9
374.04330	1.0
375.04730	0.4
382.04868	1.3
383.05676	1.3
387.04889	0.4
388.06042	0.5
389.02643	2.8
389.07358	0.7
390.03690	0.9
393.07565	0.4
397.07468	0.4
398.04056	0.6
403.04568	1.0
404.05402	12.6
405.06186	1.4
409.06888	0.7
410.07651	0.7
413.02798	0.8
414.03796	0.6
416.01807	5.4
417.02481	1.0
419.07767	7.6
426.03641	0.4
428.05310	0.8
430.03134	0.6
431.04129	4.0
433.07211	1.1
437.06662	0.6
438.07294	1.2
441.06329	0.8
443.07721	1.4
445.06006	0.6
446.06543	1.8
448.05789	0.7
449.06656	0.6
453.09787	1.3
461.08725	5.6
462.07425	2.1
463.08173	0.8
464.05402	0.5
466.06964	2.6
472.04355	1.6
477.05490	0.6
478.06268	0.5
479.07516	0.7
481.09445	3.5
487.06711	7.0
489.06122	0.5
490.06839	1.0
505.10095	0.8
506.06680	1.8
508.03864	1.7
519.07043	0.8
523.06940	2.0
533.04803	1.7
534.05945	22.6
535.06616	4.5
537.08350	0.6
537.26776	2.2
549.08307	41.8
550.08698	1.8
566.08228	0.5
581.10938	100.0
581.29773	5.5
582.11206	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	581.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59034	0.8
61.98697	1.3
64.96384	0.8
73.02803	1.5
80.91544	1.2
87.76175	1.0
88.98650	2.7
93.03317	5.4
96.08894	0.8
96.95869	1.2
109.02797	1.8
111.04369	1.7
111.08079	0.9
121.02855	1.7
122.44153	0.8
123.04390	3.2
124.01500	1.3
135.04401	1.3
137.02351	4.6
149.02341	7.1
150.03134	9.4
151.03940	5.4
161.02274	1.7
162.03123	26.5
163.03903	3.2
165.05481	8.9
173.04454	9.7
177.01852	34.3
177.05421	5.2
178.02628	40.7
179.03395	8.1
180.04201	57.0
184.74789	0.8
191.03406	1.0
192.04219	25.3
192.98244	1.0
193.04990	65.1
194.05397	1.1
195.06560	100.0
207.06613	1.8
297.04352	1.2
325.03494	1.5
340.05713	2.2
351.14661	2.1
355.08057	6.4
383.17612	1.1
385.09308	8.7
387.10684	1.4
389.12454	1.4
407.13611	1.2
419.15097	1.3
438.34668	1.1
471.72125	1.0
499.31894	1.1
541.73718	1.1
563.89673	1.0
605.54510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46060	0.4
53.78854	0.3
56.61511	0.4
59.01260	1.8
67.22583	0.3
69.74349	0.4
78.28841	0.3
78.83236	0.4
83.08949	0.4
93.03295	2.1
94.25556	0.3
96.95883	0.5
107.04897	1.1
108.02031	0.5
109.02841	1.2
109.04923	0.5
111.04346	0.5
115.45522	0.4
116.92688	0.6
121.02807	3.5
123.04374	2.1
124.01518	0.9
125.02318	0.4
131.29080	0.4
133.02858	1.7
135.04378	1.0
137.02306	2.6
139.03867	0.6
145.02824	1.0
149.02348	2.8
150.03117	9.8
151.03893	7.6
152.01003	0.5
161.02351	2.4
162.03122	28.5
162.16882	0.4
163.03915	5.6
164.04594	0.5
165.01811	1.1
165.05479	6.8
167.03342	0.5
173.04500	0.7
175.03899	1.5
177.01945	2.3
177.05484	19.7
178.02629	2.7
178.06149	0.6
179.03410	24.3
179.06906	0.7
180.04195	59.5
181.04633	1.0
181.71460	0.5
191.03473	1.0
192.04071	0.5
193.04961	1.3
195.06557	100.0
196.06862	1.3
209.04497	2.6
212.55392	0.4
220.03773	0.5
235.06024	0.6
297.07843	0.6
298.63022	0.5
310.49872	0.5
341.10117	1.5
371.11411	1.0
385.09122	0.5
387.11002	2.3
450.87497	0.4
581.19080	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.2
68.04741	0.6
69.03305	1.4
71.01228	1.1
71.04883	0.6
72.76073	0.7
72.99168	3.0
73.02800	2.9
81.03297	0.6
83.04860	2.4
85.02813	1.3
87.00723	1.6
93.03314	6.4
93.28314	0.5
94.39535	1.0
94.40037	0.8
96.95843	0.6
97.02794	1.3
99.00712	0.8
99.04361	4.3
101.02296	0.9
109.02776	0.5
111.04359	3.3
113.02297	0.6
115.03881	2.3
121.02754	0.6
122.03597	0.9
125.02301	1.0
127.03876	3.8
131.04868	0.9
133.06477	1.0
137.02316	2.4
142.99753	0.7
149.06026	1.3
149.09575	1.2
151.07616	3.4
151.11183	1.3
153.12677	1.1
155.03363	1.8
159.04373	1.5
159.08051	0.6
160.19495	0.6
161.06036	0.6
173.04459	11.5
179.07013	1.1
181.12244	5.5
183.13817	0.9
187.07549	1.4
188.08322	0.9
204.11441	0.9
207.10260	1.1
209.11758	2.5
215.10843	0.7
215.14388	2.5
217.15930	33.7
218.16113	1.0
219.17473	0.9
227.14290	0.7
233.15497	1.1
234.12537	1.4
235.16960	1.3
243.14047	0.6
245.15445	36.6
246.15773	0.8
261.14972	1.4
263.16473	6.6
289.14435	7.7
307.15515	1.7
333.13464	25.0
334.13626	0.7
351.14490	100.0
352.14822	3.8
379.13959	7.7
407.13467	34.8
408.13492	1.5
581.29608	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01731	0.4
56.76406	0.3
57.03313	0.5
58.00441	0.6
59.01234	0.8
64.64059	0.4
65.03813	0.9
69.03308	1.0
70.03694	0.3
71.01248	1.8
71.04868	0.8
72.99163	3.0
73.02805	17.8
81.03297	2.3
83.04877	6.3
85.02803	3.2
93.01112	0.6
93.03313	42.2
93.05753	0.7
94.03657	0.6
97.02832	0.3
99.00742	5.7
99.04375	5.8
101.02284	0.8
109.02799	1.2
111.00747	0.4
111.04379	18.7
113.02293	2.5
123.07964	0.4
125.02300	2.1
129.01816	1.9
129.05426	1.2
133.04944	0.7
137.02318	14.2
143.03395	4.1
143.04469	0.6
149.05963	0.4
155.03383	9.9
159.04369	0.6
173.04459	100.0
173.10696	1.0
174.04785	2.3
191.97490	0.4
194.38049	0.3
203.03391	0.3
213.67198	0.4
215.14346	0.3
227.14359	0.4
229.15846	0.4
235.17030	0.8
245.15407	1.1
260.10519	0.5
263.37177	0.4
279.15973	0.4
319.15643	0.7
333.13522	0.7
335.14789	0.4
351.14505	8.9
352.14932	0.6
363.14594	0.4
367.13818	2.0
368.14383	0.6
379.14169	0.9
407.13486	4.0
423.13034	0.7
427.54822	0.4
461.07849	0.6
464.28879	0.3
521.09747	6.2
521.33118	0.5
522.10608	0.5
538.65399	0.3
594.85162	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11644	0.3
50.89227	0.3
52.02877	0.3
53.96271	0.3
59.00062	1.9
59.01242	100.0
59.02545	1.2
59.90941	0.4
64.78512	0.3
66.51476	0.3
68.58455	0.3
71.01250	0.7
73.02800	0.4
77.10341	0.3
86.29133	0.3
87.00829	0.3
96.95792	0.3
116.91901	0.5
116.92715	6.8
121.02819	1.9
135.04405	0.5
137.02345	0.4
143.03500	0.4
146.03642	1.1
147.04402	0.5
159.04434	0.4
161.04474	0.7
163.60535	0.4
164.04694	0.7
172.97702	0.7
177.51465	1.4
178.72644	0.5
179.07039	3.5
192.07767	0.4
194.92770	0.4
212.04692	0.4
240.04277	0.8
251.07216	0.4
252.04814	0.4
254.05911	0.5
255.10294	0.8
269.08215	10.5
271.02338	0.4
271.09726	0.5
281.08334	1.8
283.09772	4.4
295.09586	0.8
299.09286	7.1
300.02737	1.0
311.09271	10.6
314.11618	16.1
325.10855	1.1
326.11600	11.6
327.11975	0.5
329.13959	56.2
330.14255	1.2
341.13943	32.3
342.14191	0.9
359.15118	1.7
463.08817	1.0
575.78809	0.5
581.13544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79102	0.8
57.03309	1.2
59.00095	1.1
59.01241	60.6
59.02505	0.9
61.98682	1.1
64.69497	0.7
66.51722	0.8
68.99673	1.1
69.03331	0.8
71.01237	7.9
72.99168	1.0
73.02817	1.1
80.24123	0.9
81.03336	1.1
83.01266	2.9
83.04858	0.9
84.49146	0.7
84.99196	3.8
85.02823	2.6
87.00747	1.0
89.02303	10.9
90.02618	0.8
91.72787	1.3
94.55920	1.0
96.96883	0.9
99.07301	1.2
99.07901	0.9
101.02309	6.3
101.67112	0.9
113.02312	6.9
115.00304	1.0
116.62223	1.2
119.03354	4.8
125.02349	2.0
151.00269	5.2
161.04453	1.2
162.06866	1.1
163.07553	1.0
164.45219	1.0
179.05589	2.8
192.74184	0.9
237.16434	1.0
251.18095	1.2
253.16043	2.5
253.19646	1.5
255.17575	1.9
267.17661	1.5
269.19098	14.0
271.20685	12.0
285.18652	0.9
295.20682	3.6
297.18604	17.2
312.76428	1.0
313.18271	1.1
313.21658	1.9
315.19678	34.7
333.20734	69.4
334.21130	2.7
339.19543	4.3
341.81079	1.0
357.20728	64.8
358.21182	3.4
375.21762	100.0
376.22247	3.9
383.18625	3.1
401.19693	53.7
402.20081	2.0
417.22916	3.1
419.20761	52.4
420.21310	2.4
441.22891	1.5
443.20746	13.5
473.21881	1.8
485.21826	2.1
521.24048	2.6
581.25690	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	581.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.8
57.03321	0.9
57.53032	0.8
59.01242	70.4
59.02440	1.0
61.37573	1.2
65.03806	0.8
69.03297	1.5
71.01239	6.3
71.04909	1.5
72.99155	4.0
73.02805	17.3
75.00732	2.2
77.01916	0.9
81.03307	2.6
83.01258	1.3
83.04888	7.7
85.02797	4.4
87.00732	0.9
89.02289	6.7
93.03314	42.3
95.01267	1.1
99.00722	7.4
99.04378	6.7
99.38858	0.9
101.02303	9.5
102.84396	1.0
109.02788	1.5
111.04371	17.4
113.02300	6.8
117.02418	0.9
119.03366	6.2
127.79386	1.1
128.03430	1.4
129.01819	1.8
137.02321	13.4
143.03383	3.5
155.03387	9.4
159.04404	1.1
161.04466	1.2
169.86014	1.0
173.04457	100.0
174.04851	1.8
179.05592	4.8
190.09882	0.9
203.14345	1.2
245.15443	2.0
269.19122	3.6
271.20609	1.7
297.18600	12.4
306.07764	2.0
315.19568	3.2
319.15759	1.3
333.20740	4.1
351.14532	15.4
357.20728	4.2
375.21765	59.7
376.22238	2.5
379.14304	1.4
401.19504	1.6
407.13391	5.5
417.22818	5.6
419.20502	1.9
427.23508	1.5
429.22699	1.7
447.24353	1.3
471.25723	1.7
478.20309	1.2
521.09375	1.4
521.23981	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	581.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	1.5
58.02817	0.9
59.01245	59.4
68.82269	0.8
68.99689	1.4
71.01240	9.7
72.99176	1.3
79.62791	0.9
83.01244	3.6
84.99178	5.6
85.02795	2.9
89.02298	10.3
89.59061	1.0
101.02301	6.2
109.06423	1.4
113.02312	6.3
119.03374	4.8
125.02320	2.2
127.00223	1.4
151.00285	5.2
162.06728	1.0
179.05554	1.2
251.18159	1.1
253.16028	2.1
253.19666	1.6
255.17607	1.4
267.17535	2.1
269.19113	12.8
271.20758	11.5
295.20773	3.1
297.18579	17.7
311.20169	1.3
313.22000	2.0
315.19690	32.1
333.20737	67.5
334.21054	1.2
334.33014	1.1
339.19653	3.4
357.20740	60.6
358.21426	2.2
375.21790	100.0
376.22287	2.6
383.18704	2.4
401.19730	55.0
417.22800	3.0
419.20801	53.4
420.21021	1.4
441.22488	1.9
443.20825	12.2
473.21783	1.5
485.21606	2.3
521.23865	2.3
545.23633	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79580	0.7
59.01234	1.9
61.98686	3.3
62.93826	0.7
69.54419	0.8
80.78824	0.8
90.04895	0.7
93.03278	1.1
95.04894	1.0
96.95874	11.0
105.03310	4.6
126.41793	0.7
127.11124	0.9
131.66190	0.8
132.02039	4.7
133.02835	24.8
134.03600	11.5
135.04385	3.6
137.02295	2.3
147.04321	1.0
151.03922	1.0
155.03389	1.1
155.10626	0.9
157.12151	0.9
157.39227	0.8
160.01558	28.9
161.02332	14.9
161.05957	1.3
162.03047	1.8
173.04454	1.3
173.06104	0.9
175.03918	64.1
177.01877	2.2
178.02608	2.6
179.03389	3.3
180.04175	1.8
183.06570	1.2
193.04964	10.4
195.06584	4.6
213.00136	0.8
214.75237	0.8
239.11838	1.4
247.09737	0.9
285.12387	1.2
289.14630	1.1
313.24002	1.9
319.15491	7.1
331.24899	14.4
405.22998	2.5
421.29596	1.9
429.92941	0.9
475.26968	4.5
489.28616	12.9
507.22098	1.8
507.29626	28.3
581.33374	100.0
582.33398	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90886	0.6
54.24419	0.6
57.44348	0.7
58.03935	0.6
71.65187	0.8
75.42280	0.7
80.01608	0.7
85.56061	0.8
88.95869	0.8
91.73321	1.0
97.41980	1.1
97.42555	0.8
140.26834	0.9
165.15417	0.9
168.47441	0.8
171.41400	0.9
172.30133	0.9
214.78749	0.9
231.23137	0.9
279.23297	100.0
280.23752	2.2
381.65945	0.9
581.45520	52.9
582.45886	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	582.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29161	0.1
57.03324	0.2
59.01245	0.6
61.97426	1.8
61.98693	100.0
62.00165	0.8
71.01243	0.5
76.43497	0.2
87.00739	0.5
115.00233	1.5
130.08638	0.7
133.01334	0.5
157.13358	0.3
174.01500	0.4
175.02390	3.4
176.02742	1.1
179.08200	0.3
301.03232	0.2
326.15372	0.2
541.11224	0.2
582.29663	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02835	6.0
64.95094	4.6
70.02831	4.3
71.04860	5.0
74.00545	6.3
74.02322	14.8
77.15507	1.4
78.87536	1.7
78.95084	1.5
80.37453	1.4
82.02824	5.8
85.03920	2.6
86.02316	7.2
87.05496	4.4
91.72778	2.0
96.04346	1.5
96.95853	3.3
96.96813	1.7
97.03942	12.2
99.05489	13.4
100.00256	13.7
101.07109	1.6
102.00040	4.8
104.98846	1.4
105.99562	10.6
106.92478	1.6
106.93221	1.4
107.06031	1.5
109.03899	1.8
110.72500	1.6
113.05892	2.8
116.01692	2.4
123.05444	1.9
125.03508	1.7
125.07076	1.5
126.69241	1.8
127.05025	2.7
127.99672	1.6
128.01614	8.4
128.03409	85.9
130.03159	1.9
135.05534	4.3
139.58591	1.6
141.02930	5.6
141.06596	2.7
143.04507	48.2
145.06091	2.3
146.04475	4.4
146.08121	27.3
151.05014	4.7
153.06577	6.7
155.02652	2.1
160.00642	6.1
164.74387	1.6
166.09740	2.6
169.06062	15.0
175.01700	14.2
179.04539	12.7
182.09303	2.3
185.03844	4.9
197.05666	5.3
198.71176	1.9
203.04860	3.1
210.08701	9.4
217.11932	4.5
226.08324	2.8
254.07799	20.6
272.08896	62.4
275.10745	6.7
277.12296	10.0
286.05130	4.2
304.06094	96.4
306.07727	2.3
309.09479	13.7
340.74011	2.0
373.04755	1.7
404.01526	2.2
452.13022	2.3
453.14426	2.3
475.90634	1.8
564.17889	11.4
582.19128	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69119	1.4
56.58650	0.6
58.00447	2.4
59.01234	1.0
72.99165	19.2
75.00724	0.8
80.72597	0.6
82.99623	0.5
87.00720	0.9
93.03324	4.8
99.00721	1.5
106.04089	0.9
107.04884	7.7
119.04883	1.4
121.02801	2.0
123.04388	1.2
125.73048	0.6
131.04860	1.2
133.02835	3.2
135.04407	2.1
147.04428	3.5
149.05959	4.2
160.15521	0.6
165.01868	3.8
165.05475	51.7
167.03418	1.4
179.03415	12.2
193.04996	10.7
200.31009	0.6
202.62854	0.6
209.04503	1.5
211.06110	0.9
255.05101	100.0
256.05493	2.1
327.07108	3.4
338.75330	0.7
454.31049	0.7
606.47888	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69127	1.0
58.00446	2.4
59.01237	1.7
72.23083	0.6
72.99165	20.2
75.00709	0.9
82.51900	0.8
87.00744	0.8
93.03315	5.2
96.95856	0.8
99.00737	2.6
107.04881	7.7
119.04874	1.8
123.04372	0.8
131.04892	1.2
131.23055	0.6
133.02824	3.4
135.04414	2.4
147.04431	2.2
149.05981	5.0
161.33989	0.7
163.03819	0.7
165.05467	51.5
169.02893	0.8
175.03896	1.2
179.03409	11.1
193.04980	11.2
202.23824	0.7
209.04520	1.8
211.06158	0.9
248.36855	0.8
255.05107	100.0
256.05463	1.9
339.70486	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84549	0.3
57.44921	0.4
59.65298	0.4
60.54458	0.5
60.84394	0.6
60.84657	0.4
63.63963	0.7
66.71936	0.8
66.72245	0.5
69.03321	0.4
76.85011	0.5
91.72769	0.9
93.03310	0.6
94.76672	0.5
95.04867	0.5
97.02669	0.7
97.03236	0.5
97.21349	0.5
97.32178	0.4
98.13520	0.4
107.04879	0.6
108.02045	2.1
109.02797	1.7
111.00734	0.6
117.03321	0.6
120.02030	1.4
121.02807	0.7
122.03558	0.8
123.00742	1.2
123.04408	0.6
124.01537	5.6
125.02327	3.0
131.01234	1.4
132.02072	2.6
133.02805	1.5
135.04381	1.0
136.01477	1.5
137.02319	5.3
138.03101	2.7
139.00192	1.6
139.03903	4.9
140.01027	1.1
145.02805	0.9
147.04366	1.0
148.01540	2.8
149.02356	2.3
150.01926	1.0
150.03111	17.0
151.00259	3.1
151.03905	11.6
152.01038	42.8
153.01868	2.9
154.02608	1.1
159.00781	2.2
160.01553	6.2
161.02348	5.5
162.03120	17.2
163.03909	4.3
165.01826	0.5
165.05472	8.3
166.02603	4.5
167.03400	52.0
168.03705	1.0
174.03152	0.9
175.00288	1.4
175.03903	3.9
176.01065	21.7
176.04680	2.0
177.01860	4.2
177.05472	4.3
178.02612	4.8
179.03381	6.3
180.04192	47.2
181.04900	2.0
189.05531	1.0
190.02652	3.5
191.03421	14.9
191.07036	1.7
192.04137	1.6
193.04999	6.5
194.02141	3.2
194.99454	0.8
195.06552	62.4
196.06856	0.9
201.01822	0.5
202.02646	1.0
203.03368	1.2
204.04193	0.9
205.05034	4.7
206.05963	0.6
209.04506	6.3
213.89886	0.6
217.04950	1.1
219.06538	1.3
220.03722	0.6
235.06068	0.8
272.20926	0.5
283.48557	0.5
293.04663	0.5
299.05542	0.9
301.07147	1.0
311.05652	0.7
313.07474	0.7
326.08136	0.5
341.10626	0.6
342.07455	0.9
344.08832	0.6
357.09799	3.8
359.11523	3.5
372.08862	0.9
373.09393	1.3
374.10080	7.1
387.10883	100.0
388.11292	4.7
389.12451	52.1
390.12753	1.8
553.17200	2.0
565.17365	1.3
583.18195	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53087	0.6
59.01232	0.8
61.98701	0.9
73.02792	0.8
93.03345	4.0
96.95852	1.0
109.02827	1.1
121.02814	10.8
122.03606	13.9
123.04361	1.4
133.02811	2.5
134.03619	1.5
135.04405	6.5
136.01564	6.5
137.02315	1.4
147.04355	1.2
149.02319	30.0
149.05925	1.1
150.03105	92.5
151.00259	2.2
151.03905	5.8
152.01073	2.7
153.01785	1.8
162.03110	2.7
163.03926	3.2
164.04715	6.6
165.05464	100.0
166.02603	5.1
166.05775	1.4
167.03407	3.2
175.03937	3.1
176.00983	1.2
177.05452	1.6
178.02556	1.0
179.03310	1.1
180.04259	8.9
181.04927	6.5
189.05496	1.6
190.06265	2.5
193.04915	2.0
194.96646	1.0
195.06555	63.2
196.06883	1.6
270.61697	1.1
339.41510	0.9
345.22684	4.0
356.12869	1.0
357.09769	3.3
357.13635	1.7
372.12143	2.3
373.13123	1.4
387.10876	0.9
387.14633	12.7
414.71466	0.8
437.11649	1.0
520.17303	1.1
535.19775	38.2
536.20142	2.4
583.09271	1.0
583.21472	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64219	1.9
51.67034	1.6
51.74608	1.8
54.40712	2.2
56.25006	2.0
59.01229	2.0
61.86232	1.8
61.98682	4.0
93.03312	5.3
96.95885	6.4
109.02803	8.6
116.92722	44.0
121.02805	17.1
122.03595	16.3
133.02809	3.3
134.03572	3.4
135.04381	11.9
136.01530	10.6
137.02298	5.1
149.02321	34.1
150.03105	100.0
151.00304	3.8
151.03943	17.0
152.01012	12.1
153.01805	11.6
161.06102	2.8
162.03056	6.0
163.03955	3.7
164.04738	6.8
165.05476	95.1
166.02608	10.6
167.03349	10.1
175.03934	6.0
176.01082	4.1
177.01762	3.5
179.03430	5.4
180.04245	13.5
181.04939	10.1
184.71237	2.4
189.05525	3.0
190.06284	6.1
193.04858	2.8
195.04892	4.7
195.06563	64.3
229.04962	3.4
247.04649	2.4
329.10483	5.5
345.22809	2.9
357.13348	9.0
367.21085	13.2
373.12967	6.0
387.10620	9.4
387.14896	26.7
389.12192	5.6
505.18893	7.1
530.99268	2.5
535.19775	51.9
536.20142	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	583.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02206	0.4
61.98691	0.7
93.03311	2.8
108.02032	0.6
109.02824	1.2
114.72575	0.5
121.02841	4.0
122.03600	10.1
123.00732	0.6
123.04407	0.8
124.01527	0.8
133.02837	1.3
134.03661	0.6
135.04376	0.7
136.01553	4.0
137.02336	1.5
139.03897	0.7
149.02332	16.5
149.98492	1.1
150.03113	86.2
150.08296	1.1
151.00267	0.8
151.03923	5.4
152.01070	2.0
153.01791	0.9
162.03116	3.0
163.03867	0.9
164.04701	3.4
165.05467	100.0
166.02586	2.8
166.05830	2.0
167.03381	3.4
175.03957	1.2
176.01056	1.2
177.01871	0.8
177.05461	0.6
178.02603	0.9
179.03349	2.1
179.07066	0.5
180.04204	10.4
181.04945	3.9
190.06313	0.8
191.03416	0.7
192.04089	0.5
193.05034	0.9
195.06555	69.0
196.07021	1.2
271.89120	0.6
345.22812	4.0
357.09833	2.5
372.11935	1.4
387.10608	2.7
387.14902	7.6
388.11005	0.6
389.12350	2.9
535.19708	3.3
579.40814	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.2
62.67008	0.1
76.54271	0.2
78.95762	7.3
79.95587	2.4
96.93536	1.4
96.95873	100.0
96.96793	16.1
96.98579	1.2
120.81460	0.2
137.67241	0.2
249.18556	0.9
313.77972	0.2
348.30627	0.2
539.28735	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29792	0.3
59.01244	0.4
68.65826	0.3
69.58119	0.4
71.01243	6.9
72.02104	0.5
72.99164	0.4
73.02806	4.8
75.00729	3.2
78.95810	0.5
87.00723	1.2
91.73404	0.5
94.93803	0.4
97.99973	4.5
99.00746	5.4
101.28923	0.4
102.94250	0.9
112.98676	1.5
115.00207	2.3
116.21301	0.4
123.39810	0.4
126.97894	4.7
128.95840	0.8
128.99478	2.3
130.97423	0.7
136.96339	1.2
142.97444	1.4
142.99734	0.4
145.06091	1.4
149.99545	1.3
152.95883	2.0
154.97427	5.9
170.96915	1.5
172.98494	10.1
180.95364	4.2
190.99547	1.0
196.00113	0.7
204.99861	1.9
216.97514	0.9
242.95479	100.0
243.95911	0.5
267.11902	0.5
273.85931	0.4
341.10760	0.8
377.47049	0.5
476.78461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79219	0.1
55.83082	0.1
57.03309	0.1
59.01234	0.5
60.13883	0.1
67.01778	0.1
71.01233	0.7
72.99156	0.2
73.02814	0.2
75.00734	0.3
79.95594	4.0
80.96366	2.0
83.01255	0.2
85.02804	0.4
87.00722	1.0
89.02303	0.2
91.72735	0.1
95.95082	0.4
96.95868	100.0
96.98322	1.3
97.02789	0.2
101.02300	0.7
109.02808	0.1
113.02316	0.5
123.04414	0.1
125.02332	0.1
134.03653	0.1
138.96930	0.8
147.04416	0.2
147.82286	0.1
148.05186	0.4
150.96983	0.6
161.05968	0.2
162.06805	0.2
165.05461	0.4
166.96449	0.7
168.97940	0.2
173.04417	0.3
177.01849	0.1
180.97934	0.1
189.05455	0.2
190.06258	0.3
193.04924	0.1
194.17000	0.1
195.06601	0.3
209.90395	0.3
210.87971	0.1
213.00555	0.1
222.99110	0.3
225.00719	1.0
241.00215	23.6
242.00528	0.2
250.88232	0.1
275.78458	0.3
341.13892	0.3
352.05237	0.1
368.11096	0.1
401.41180	0.1
424.16650	0.2
437.79123	0.1
441.17728	0.3
448.06699	2.1
472.23758	0.1
497.12640	0.2
541.13806	0.3
585.12866	47.1
586.13104	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74186	0.3
59.01243	0.5
62.72872	0.3
65.24592	0.3
66.72002	0.3
68.36559	0.3
90.35214	0.4
93.03306	2.6
95.01302	0.5
96.95872	1.5
108.02046	0.6
109.02823	1.0
121.02816	4.4
122.03606	11.6
123.00754	0.5
123.04401	0.6
124.01572	0.6
125.02319	0.8
129.48650	0.5
133.02811	1.4
135.04408	0.7
136.01547	0.8
137.02321	0.7
147.04404	0.5
149.02338	15.2
149.03525	0.8
149.05988	0.4
150.03119	87.0
150.07857	0.8
151.03613	1.3
162.03142	0.8
163.03915	1.3
164.04720	3.0
165.05476	100.0
165.11090	1.2
166.05809	1.3
167.03471	0.5
170.79013	0.4
174.03136	0.6
175.03905	3.1
176.04747	0.7
180.04204	7.4
188.04715	0.6
189.05505	1.4
190.06279	4.0
191.07077	3.5
193.04927	1.1
194.05684	1.0
195.06563	71.2
196.06906	1.5
205.08664	3.3
207.06560	1.4
208.07352	4.1
222.08922	0.8
244.83937	0.4
282.98010	0.4
344.08951	0.6
344.12637	0.9
345.13446	0.4
359.15051	22.2
360.15372	0.7
374.13666	0.6
389.16068	1.0
507.20145	0.7
510.33829	0.5
537.21356	5.3
585.23053	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31602	3.5
68.57050	4.2
83.16599	4.7
91.72965	4.4
109.84685	4.7
112.66754	4.5
113.84424	4.7
135.99480	3.7
225.22237	16.1
260.99271	6.1
271.22913	5.3
295.08444	5.2
296.26096	6.5
343.17719	5.1
354.86285	4.6
444.86371	5.0
456.89059	4.7
550.48431	100.0
577.70599	5.6
586.46228	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	587.108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83814	0.1
59.03292	0.1
66.22602	0.1
67.50748	0.1
70.03976	0.1
79.95591	5.4
80.96369	0.2
96.93269	1.4
96.95869	100.0
96.98111	1.0
108.02032	0.3
109.02787	0.2
110.97427	0.3
121.02844	0.2
122.50230	0.2
136.01541	0.3
138.97009	0.1
147.51736	0.2
151.03914	1.8
164.07074	0.4
177.05394	0.2
178.02600	0.2
206.08154	0.7
212.04729	0.3
221.04532	0.3
223.03935	0.3
227.07053	0.3
230.99631	0.3
240.04216	1.2
241.04834	0.2
253.05051	0.2
255.06660	1.0
259.01321	0.9
259.05957	0.3
270.08960	0.3
273.07681	0.3
275.14700	0.3
287.05576	0.4
299.05466	0.9
301.06985	0.2
314.08023	1.9
315.08765	0.2
425.05328	1.3
587.10809	39.4
588.10931	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57893	0.1
53.61427	0.1
57.03302	0.2
57.42886	0.1
58.00476	0.1
59.01241	0.7
65.36348	0.1
65.54469	0.1
65.91276	0.1
66.40848	0.1
67.85447	0.1
70.93539	0.1
71.01241	0.8
72.99168	0.3
73.02780	0.3
79.95117	0.2
79.95590	3.2
80.69514	0.1
80.96371	2.2
83.01241	0.2
85.02785	0.3
87.00736	1.1
89.02300	0.2
91.73415	0.2
93.03305	0.2
96.93423	1.4
96.95869	100.0
97.02796	0.2
101.02308	1.2
109.02830	0.3
113.01623	0.1
113.02302	0.7
123.04436	0.2
125.02368	0.2
135.04379	0.3
137.02301	0.4
138.96968	1.1
149.02341	0.3
149.05920	0.2
150.03293	0.3
150.96945	0.3
151.03880	0.4
159.04477	0.2
165.05463	2.2
166.96455	0.7
167.03455	0.2
180.98157	0.2
181.04974	0.3
193.04984	0.4
195.06618	0.3
212.80966	0.2
222.99138	0.5
224.04588	0.2
240.58719	0.2
241.00220	22.8
242.00433	0.2
253.05104	0.3
255.06760	0.2
267.94406	0.2
275.14636	0.4
297.04120	0.2
298.08624	0.2
311.05606	0.2
315.08691	0.2
357.09650	0.2
369.09708	0.2
425.05151	0.2
425.12186	0.2
489.13809	0.2
524.28119	0.2
587.10773	42.7
588.11279	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.7
61.17714	0.3
61.98692	2.6
72.50307	0.3
91.72584	0.3
106.04087	0.4
109.02829	0.9
120.01969	0.4
121.02818	1.8
128.56963	0.3
129.11275	0.3
134.03607	2.7
137.20187	0.3
148.83893	0.5
161.02347	1.2
161.97900	1.1
162.03122	100.0
162.09036	0.8
163.03484	1.0
176.99527	1.0
177.05482	86.0
177.12274	0.8
178.05841	0.8
205.08588	0.3
240.62799	0.3
267.06577	1.0
268.07300	0.3
505.11270	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00005	1.0
59.01239	48.0
61.98693	5.7
69.03309	3.8
71.01244	1.9
73.02794	1.2
85.02791	1.1
97.02815	8.9
99.08009	1.3
109.02824	1.2
113.02319	1.8
121.02837	3.8
123.04388	1.8
123.08019	13.3
135.07999	2.4
137.05966	5.8
149.09579	1.5
159.04402	1.4
163.11166	1.2
165.09093	10.3
188.04735	2.4
191.10687	2.1
193.12459	1.2
195.10188	1.8
207.10168	2.1
215.10747	1.3
217.12274	1.3
219.10312	8.6
219.13850	11.5
221.11810	9.7
223.98526	0.9
231.10234	29.6
233.11754	4.3
245.11765	4.7
247.13437	1.5
249.11313	20.8
261.11359	5.6
263.12881	100.0
264.13159	1.7
267.12396	6.9
291.23376	1.1
297.13898	1.4
389.47745	0.9
456.23618	0.9
564.87952	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29333	0.4
56.49828	0.4
59.01242	10.9
61.98689	1.0
67.78492	0.5
68.41344	0.4
71.01229	3.2
72.25984	0.4
73.02792	0.9
78.95746	1.6
81.61736	0.4
82.21581	0.5
84.64127	0.5
85.02796	1.0
86.28690	0.5
89.02297	3.7
91.72627	0.6
96.95856	1.6
99.00688	0.5
101.02287	4.3
103.71425	0.4
113.02317	1.6
117.03342	0.5
119.04889	0.5
126.93847	0.5
134.03621	1.0
145.02855	1.3
150.10434	0.8
152.99431	1.1
161.04442	1.1
163.03812	0.6
163.05965	0.7
165.12730	9.6
178.02620	0.6
193.04956	1.8
247.20641	8.5
253.09280	14.9
273.18704	4.3
283.17712	0.5
291.19672	100.0
292.20007	3.3
351.14307	0.7
423.21182	0.6
451.41266	0.6
551.28156	1.7
587.25531	0.8
587.34143	0.6
602.35364	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73215	0.4
56.26439	0.4
59.00971	0.6
59.01240	7.5
70.15482	0.4
71.01238	2.5
73.02809	0.8
76.57662	0.4
78.95762	1.2
85.02791	0.9
89.02282	3.0
89.64044	0.4
96.95868	3.2
97.08110	0.4
101.02329	3.9
113.02341	1.4
117.03310	0.7
119.04911	1.3
128.03349	0.6
134.03601	0.7
145.02844	1.7
148.08827	0.5
150.10489	0.6
152.99422	0.6
161.04433	1.6
163.11133	0.5
165.12746	11.5
174.21118	0.5
177.12805	0.7
177.77156	0.4
179.05466	0.6
217.16026	0.5
242.88808	0.5
247.20657	7.5
253.09282	15.8
273.18576	3.8
275.72281	0.6
291.19672	100.0
292.19986	2.8
298.65884	0.5
314.05298	0.4
351.14691	0.5
426.26672	0.8
469.24011	0.5
522.65228	0.6
527.28546	0.5
551.09857	1.1
551.27399	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	588.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71163	0.7
59.01230	2.1
65.99710	3.2
66.03334	2.3
67.01714	0.5
68.01278	2.8
68.99663	3.6
69.07595	0.6
71.01232	3.2
76.01756	0.5
76.69285	0.5
79.45698	0.4
82.02842	2.9
83.01192	0.5
84.00760	1.2
85.02818	0.6
87.00726	4.3
87.22793	0.4
92.50934	1.1
94.02843	0.9
96.00755	4.3
96.95844	0.6
96.99149	3.8
97.99958	0.6
99.00735	22.4
99.03335	0.5
110.02367	3.2
111.00736	4.3
112.00259	0.9
114.01806	1.9
115.00232	8.6
124.00272	41.0
125.00635	0.5
125.02329	0.5
128.03378	0.8
132.08078	1.5
138.01855	12.9
140.03392	0.9
141.56938	0.5
144.78864	0.5
145.05182	2.3
146.04475	0.7
158.09648	0.7
159.01584	1.0
159.02882	15.6
160.07562	0.9
162.09073	0.8
164.07104	1.3
167.07057	3.5
168.02908	0.5
173.04778	0.9
174.03947	1.1
174.09148	1.4
175.02374	11.5
176.07097	2.2
178.08670	0.6
179.06947	0.6
184.02420	10.1
186.09105	0.6
188.07115	1.7
190.08635	1.3
192.06586	0.6
194.08168	3.4
197.03189	0.7
198.04007	30.2
202.08678	14.8
206.08113	0.8
208.09807	0.7
218.08174	1.5
219.06587	0.5
222.01668	0.6
227.09192	2.1
230.08197	9.2
234.07762	1.1
246.07713	0.6
248.09285	1.1
252.08694	0.7
274.07257	4.4
292.08218	3.4
325.09396	1.0
334.09338	64.8
335.10010	0.7
352.10333	5.5
380.84689	0.6
385.11520	1.4
394.11453	0.7
412.12518	100.0
413.12985	0.7
575.68811	0.5
588.22369	1.5
608.36011	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40262	0.1
63.59144	0.1
78.68396	0.1
79.95588	1.1
80.02524	0.3
80.96368	1.8
82.63514	0.2
83.74488	0.1
95.95087	1.0
96.95858	2.2
104.02355	0.1
107.98791	0.3
108.02029	29.0
108.04900	0.4
109.02354	0.4
110.97392	0.2
115.77362	0.2
122.97475	0.2
123.04386	12.4
124.04700	0.2
125.02373	0.2
151.95569	0.5
152.01041	69.4
152.05917	0.8
153.01378	1.1
162.03123	0.2
163.03873	0.8
166.97101	0.8
167.03400	100.0
167.08954	1.2
168.03729	1.9
177.05496	0.6
179.83337	0.2
200.42174	0.2
242.99734	0.3
258.02124	1.1
259.02798	0.4
271.02536	0.3
410.70493	0.2
421.08090	2.6
589.12396	24.3
590.12860	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	589.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.5
57.03315	30.2
57.04405	0.7
59.01243	49.5
59.02411	0.8
60.17368	0.7
65.93258	0.7
69.03326	1.4
71.01238	34.9
71.02724	0.9
72.99172	1.1
73.02803	12.1
81.03310	2.2
83.01238	5.4
85.02811	18.2
87.00733	2.8
87.39268	0.8
89.02293	10.2
95.01233	2.5
96.70110	0.8
96.95869	4.4
97.02831	1.7
99.00728	5.5
99.04377	39.5
101.02305	39.2
109.02823	2.2
111.00751	1.7
113.02312	16.2
115.03848	0.9
119.03387	2.5
125.02309	31.2
131.03371	1.2
137.02319	1.7
140.54622	0.9
143.03406	4.7
145.93004	1.3
159.02901	3.2
161.04439	15.1
167.03436	2.5
179.05565	1.7
211.93173	1.1
241.00261	2.0
255.55322	0.9
261.28979	0.8
264.31729	1.0
283.11856	14.1
343.58273	1.0
427.16077	20.0
445.17136	100.0
446.17542	2.7
487.17859	4.6
565.80878	1.0
589.21167	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	589.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.1
57.02242	0.7
57.03316	35.5
59.01244	50.4
59.02502	1.0
65.15454	0.7
65.23492	0.7
69.03313	1.0
71.01242	29.1
72.99181	1.8
73.02806	11.7
81.03329	1.6
81.31742	0.8
83.01229	5.8
85.02808	16.5
87.00759	2.9
89.02293	7.5
93.03356	3.5
95.01268	3.5
96.95873	4.0
97.02843	2.8
99.00781	3.7
99.04376	39.3
101.02309	42.1
109.02856	0.8
111.00769	1.6
111.04415	0.9
113.02313	19.5
119.03420	3.5
124.01563	1.2
125.02313	32.7
137.02309	7.4
138.34402	0.9
143.03384	5.4
147.04437	1.3
153.01918	1.1
159.02933	3.3
161.04454	21.0
165.05504	3.8
166.02644	1.8
166.05836	1.9
179.05574	1.3
181.04962	1.1
283.11877	14.0
427.16107	25.9
445.17160	100.0
446.17764	3.1
487.18106	9.9
589.12482	2.4
589.21619	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47846	1.0
57.03317	52.3
58.99994	1.7
59.01243	100.0
60.01587	1.1
61.87217	1.4
61.98690	7.5
65.89207	1.3
69.03304	1.7
71.01240	36.9
72.99180	2.0
73.02813	11.9
78.39285	1.2
81.03310	2.2
81.97401	1.3
83.01239	4.4
85.02802	13.4
87.00750	2.5
89.02296	42.9
89.04360	1.4
95.01240	2.9
96.95861	8.4
97.02824	1.4
99.00729	7.8
99.04379	65.4
101.02303	44.9
109.02832	2.5
113.02303	17.8
113.87521	1.6
119.03374	6.0
125.02308	40.2
128.77602	1.5
131.03378	12.9
136.24374	1.4
140.14738	1.3
141.01602	2.5
143.03400	6.6
149.04442	24.1
153.01903	1.4
157.62106	1.4
159.03009	2.2
161.04407	8.8
171.77853	1.4
191.05592	5.4
233.06679	2.0
279.81329	1.5
293.08890	2.5
302.31464	1.7
311.09979	2.3
313.16559	21.6
318.00089	1.5
342.53305	1.6
427.19641	8.6
445.20807	68.9
487.21680	14.0
528.25452	6.2
529.26166	16.4
546.75769	1.8
553.21100	2.8
589.25226	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46481	0.1
53.94485	0.1
54.51049	0.1
55.91965	0.1
59.01248	0.4
61.98691	1.5
63.03347	0.1
67.14489	0.1
73.26189	0.1
81.03328	0.2
91.05441	0.1
103.05412	0.2
105.03368	0.2
107.04830	0.3
108.02044	0.3
117.03303	0.2
119.04919	0.2
123.08008	0.5
125.97740	0.2
130.04097	0.2
132.05673	0.2
135.04388	1.9
145.02850	2.3
145.98483	0.5
146.03619	65.0
146.08185	0.8
147.04440	2.0
149.05905	0.2
161.05977	19.2
161.11218	0.3
162.03145	0.6
162.06316	0.5
163.03922	2.0
163.53824	0.2
164.04689	43.7
164.10031	0.5
165.05034	0.8
167.07013	0.2
171.97026	0.2
177.05464	0.3
179.00052	0.7
179.07048	100.0
179.13260	1.0
180.07367	1.8
182.50797	0.2
217.12254	0.2
357.20087	0.2
379.19131	0.2
491.21130	0.2
509.21469	0.2
591.36932	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	589.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16280	0.2
54.21493	0.2
59.01239	0.4
59.37629	0.2
61.98695	5.5
72.66766	0.2
88.78772	0.2
108.02034	0.4
121.02892	0.4
130.58174	0.3
133.02855	0.3
134.03645	0.8
135.04382	2.0
144.93047	0.3
145.02850	2.2
145.98581	0.6
146.03619	62.5
146.08064	0.7
147.04449	2.1
161.00259	0.2
161.05978	17.2
162.03122	24.9
163.03891	1.4
163.98845	0.5
164.04688	40.1
165.04968	0.6
177.05482	24.5
178.05797	0.5
179.00179	0.8
179.07045	100.0
179.13023	1.0
180.07376	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.1
57.03307	1.1
59.01241	14.3
61.11747	0.4
63.65162	0.4
69.03300	0.7
71.01238	22.3
72.99162	0.9
73.02805	9.6
74.98940	0.6
75.00745	0.7
79.39458	0.4
81.03308	0.5
83.01231	4.1
85.02802	11.3
87.00716	1.9
89.02296	8.9
95.01237	1.4
96.95875	3.5
97.02801	1.8
99.00742	5.8
101.01646	1.0
101.02300	20.0
109.02792	1.4
111.00731	0.6
113.02299	9.4
115.03859	1.6
119.03317	0.9
125.02367	2.4
131.03404	2.8
141.01552	0.6
143.03348	1.6
149.02354	0.7
149.04416	1.8
152.01030	0.7
159.02937	2.5
161.03166	0.8
161.04440	11.1
165.05568	0.5
167.03400	1.2
173.04483	0.8
179.03362	0.7
233.06624	1.2
293.08902	0.5
341.06577	0.7
341.91385	0.5
397.22305	6.1
405.36975	0.6
430.05063	0.6
445.20691	0.5
446.63260	0.6
466.45270	0.5
509.10202	0.7
529.26550	100.0
530.26910	3.9
589.23462	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49607	0.7
57.29519	1.0
57.29774	0.5
59.01235	0.6
61.98671	0.3
65.03810	0.4
66.53344	0.3
66.97970	0.3
71.01249	0.5
73.02813	3.6
74.99414	0.3
77.96082	0.3
78.95759	1.2
83.04866	1.6
85.02790	0.4
93.03318	7.9
99.00742	1.0
99.04391	0.9
106.99065	0.3
111.04394	3.8
116.94749	0.4
117.03329	17.2
118.04131	2.8
119.04898	20.3
121.02821	6.9
123.04408	1.3
129.01851	0.5
129.05437	0.7
133.02817	1.7
134.03601	0.7
137.02315	2.1
142.99814	0.6
143.03363	0.8
143.07928	0.4
144.98164	0.6
145.02838	46.2
146.03156	0.6
152.99471	0.9
153.00681	0.4
155.03401	1.5
162.03142	2.7
163.03903	11.9
173.00787	0.7
173.04466	14.4
173.05986	0.7
173.08215	0.3
203.16090	0.4
228.98303	0.4
242.75366	0.5
309.07684	0.4
321.11807	0.4
323.13086	1.4
367.23761	0.4
383.15424	0.5
415.24936	100.0
416.25250	2.6
529.18970	1.1
531.78101	0.5
589.21075	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3021
Annotation	CHEBI:70547
Peak:m/z	Relative Intensity
50.64425	0.7
50.78963	0.7
57.03300	1.4
59.01241	34.5
59.38681	0.8
61.98402	1.4
61.98697	19.9
71.01237	5.3
75.00716	0.8
78.06075	0.9
78.95757	1.0
82.06870	0.9
83.04871	1.9
89.46997	0.9
91.73344	1.4
93.03321	2.9
95.04885	1.4
99.07996	2.4
101.05930	5.1
107.04898	1.5
109.02808	5.3
109.06438	1.3
111.04366	1.6
119.04865	1.8
121.02806	2.8
121.06457	2.4
123.04410	1.4
123.08044	2.0
124.18046	1.0
131.46291	1.0
133.06487	10.7
135.04396	3.8
136.01561	1.1
145.06493	1.1
147.04370	1.9
149.05931	2.1
151.07559	8.0
161.05968	1.1
165.12683	1.9
176.04668	1.3
177.05559	1.1
177.12790	1.8
179.03699	0.9
188.04683	1.0
193.12338	1.4
203.10707	1.8
205.12238	5.5
215.10686	2.7
217.12283	14.4
219.13876	1.9
228.32591	1.0
229.12363	3.7
231.10306	3.8
231.13824	2.9
233.11794	16.2
235.13420	3.3
236.26308	1.0
245.11900	4.5
247.13322	6.5
259.13409	4.0
263.12946	1.1
267.06726	2.1
325.17932	1.3
340.09637	3.0
341.10193	1.2
342.10815	1.1
391.18869	1.9
419.07437	1.1
445.22940	1.9
475.24503	2.1
481.26050	1.5
511.26932	9.6
529.28082	100.0
530.28577	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	589.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26288	2.0
54.10257	2.3
59.01242	71.6
61.98391	4.5
61.98694	48.6
69.03326	10.4
71.01227	12.3
73.02807	25.1
73.83083	2.5
85.02808	3.7
89.68338	2.8
96.95885	7.7
97.02807	94.7
97.06449	2.8
101.02310	17.4
101.05939	2.7
109.02798	6.6
111.04379	2.6
112.01557	3.0
121.02797	4.5
121.06377	3.2
123.08022	77.3
124.01548	3.1
137.05965	67.8
143.90706	3.0
147.04478	4.7
159.04535	3.7
165.05495	9.4
165.09091	10.8
179.03366	4.5
188.04784	3.0
191.10707	20.4
193.12224	4.2
203.10727	5.1
219.10213	87.3
221.11780	100.0
231.10233	58.0
231.12280	2.0
233.11766	26.1
245.11755	5.4
249.11348	79.4
261.11349	18.9
263.13028	8.3
265.10828	10.6
279.23373	5.6
283.15604	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	591.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09864	0.2
54.65726	0.2
57.03326	0.3
59.01237	1.0
61.98677	0.4
63.02248	0.4
65.00185	0.8
69.62222	0.2
71.01247	0.6
71.39388	0.2
73.02777	0.3
75.13145	0.3
83.01234	0.7
85.02789	0.4
85.67503	0.3
87.00748	0.4
90.53033	0.3
90.65627	0.7
90.66199	0.5
90.82378	0.4
91.01740	0.3
93.03305	0.7
96.95874	1.2
98.95445	0.6
99.00732	0.3
101.02310	0.4
107.01241	3.0
108.01350	0.3
108.01985	1.4
109.02812	1.7
111.00698	0.3
111.54559	0.3
119.01268	0.4
120.46284	0.3
121.02822	3.1
125.02310	0.6
128.03355	0.3
135.00755	0.9
138.09097	0.8
147.00717	0.4
148.01517	1.6
149.02330	0.9
151.00253	13.4
159.04367	0.4
159.10901	0.3
163.00255	3.0
164.01042	0.6
169.01343	1.2
171.04268	0.3
173.04427	0.7
178.99771	7.9
183.04431	0.3
185.05865	0.4
187.03943	0.6
190.99785	0.4
199.03879	0.6
201.05516	0.6
203.67561	0.3
211.03949	1.8
212.04660	0.3
213.01981	0.3
215.03407	0.8
215.08313	1.3
216.04379	0.5
226.02744	1.1
227.03450	2.7
229.05006	1.0
239.03529	0.5
241.09775	1.5
243.02962	9.5
244.03474	0.4
245.04460	1.9
249.05318	0.3
250.39435	0.3
254.02303	2.0
254.92596	0.3
255.02979	26.0
256.03409	0.9
266.02280	0.3
271.02496	51.4
272.03140	2.1
273.04047	1.7
283.02487	2.4
285.03931	0.3
299.01978	1.8
300.02759	85.8
301.03534	58.1
302.03903	0.8
398.21133	0.3
413.50656	0.3
414.66647	0.3
447.09341	100.0
448.09760	2.6
477.19601	0.5
477.54584	0.3
547.27582	0.7
561.26587	0.5
590.28418	0.4
591.13800	0.7
591.28156	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2615
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
50.21022	0.3
54.41808	0.3
78.19453	0.3
78.83101	0.4
78.95741	0.6
79.68312	0.3
92.32191	0.3
106.06442	0.5
126.91721	0.4
151.06708	0.4
152.99461	1.0
255.23331	0.5
300.66150	0.4
335.12177	0.5
373.49332	0.4
396.17203	0.6
429.16846	0.6
443.22830	2.0
444.19641	1.9
445.20370	1.6
445.25369	0.4
455.22464	0.8
456.23193	1.2
457.20615	0.5
458.21262	0.5
459.21912	2.8
462.20731	1.1
471.20560	0.6
471.25586	2.8
472.18228	0.7
472.22794	1.4
473.23425	1.2
482.21115	1.7
484.19379	0.6
485.19766	2.6
487.25644	2.9
496.22781	0.4
497.23392	3.9
499.21408	4.3
500.22180	13.2
501.22513	0.7
504.21683	0.9
513.22870	0.9
514.23401	0.8
515.24542	100.0
516.24847	6.6
518.23230	0.6
519.24341	0.9
547.27350	0.6
559.23511	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	591.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02254	1.1
57.03032	2.7
57.03317	57.2
58.48207	0.9
58.99848	0.9
59.01241	100.0
59.02498	1.5
61.98698	2.7
71.01237	30.4
73.02450	1.0
73.02821	4.8
83.01228	1.5
85.02811	7.2
87.97298	1.1
89.02296	51.2
96.95872	2.0
99.04373	63.0
101.02306	35.2
101.02952	1.5
113.02303	9.8
119.03390	4.6
125.02307	31.4
131.03366	12.0
143.03400	6.2
145.54875	1.3
149.04448	25.2
161.04576	2.1
167.03421	1.2
179.05565	4.7
191.05489	6.2
233.06700	1.8
293.08908	1.3
315.18268	3.3
429.21490	5.5
439.74332	1.2
447.16501	2.1
447.22351	56.6
448.22870	1.5
489.23508	13.4
555.21478	1.4
588.56964	1.3
591.26648	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	591.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69692	0.9
53.38446	0.9
57.02154	1.0
57.03316	57.7
57.04375	0.9
58.00452	1.5
59.00035	1.8
59.01242	100.0
59.02338	1.8
60.86538	1.1
66.23993	0.8
69.03316	1.0
71.01240	34.7
72.99139	1.2
73.02812	6.6
78.95770	1.0
79.95608	1.3
81.03307	2.6
83.01216	2.6
85.02795	8.3
87.00770	2.0
89.02299	52.5
96.95868	52.9
96.96817	2.4
97.02810	1.1
99.00730	1.2
99.04374	83.0
99.28970	1.1
101.02301	37.1
109.02807	3.0
113.02312	14.1
113.90343	1.3
119.03381	6.5
121.73195	1.3
125.02312	47.3
131.03380	13.4
135.60129	1.1
137.02322	1.5
143.03365	5.8
147.04414	1.6
149.04453	30.0
153.01793	1.5
161.04427	2.4
167.03439	1.8
177.01790	1.1
179.05548	4.6
191.05540	5.6
233.06491	1.2
315.18231	2.2
329.10013	1.4
413.23471	1.3
413.75446	1.3
425.99359	1.2
429.21231	4.1
447.22391	61.1
455.13535	5.0
489.23425	10.6
529.26166	1.8
531.28015	4.5
549.95624	1.3
551.92114	1.2
555.22589	2.9
591.26990	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	2.3
59.01242	66.1
59.02438	1.2
69.03316	5.3
72.32898	0.9
75.00731	1.3
83.04876	5.6
84.99184	0.8
85.02808	2.1
87.00713	3.0
91.05408	0.9
91.72766	1.2
93.39550	0.7
96.95860	1.8
101.02296	3.5
109.06454	18.0
111.04422	1.6
113.02312	1.0
116.25012	0.9
126.10286	1.2
127.03905	1.0
153.05457	5.9
170.99927	0.9
171.06532	63.7
183.97408	0.7
189.07605	30.8
237.16452	0.9
253.15982	3.4
253.19524	1.5
255.17564	1.3
257.06686	13.2
267.17462	1.1
269.19131	11.4
271.20694	7.8
297.18600	14.7
315.19711	15.5
333.20712	32.3
357.20746	1.2
375.21786	73.9
376.22165	1.3
419.20724	1.6
591.28168	100.0
592.28821	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86086	0.3
60.46015	0.3
61.98682	0.7
72.18877	0.3
78.95743	0.3
81.16141	0.3
85.29268	0.3
109.02818	0.4
115.56487	0.3
135.04381	1.9
137.30103	0.4
145.02846	2.3
146.03619	58.3
147.04465	1.8
149.48041	0.3
161.05975	17.2
163.03954	1.6
164.04688	38.8
168.05783	0.4
179.07047	100.0
179.13567	0.9
180.07379	1.0
212.99608	0.3
224.72063	0.6
259.79099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46993	1.0
57.03318	8.4
59.01224	1.1
59.55171	0.8
66.84264	0.6
71.01219	1.0
79.74712	0.6
81.03308	2.2
83.01250	4.9
85.86684	0.7
87.00718	1.0
93.03321	3.0
95.04881	1.6
96.95874	3.1
97.02812	2.0
107.04924	1.1
109.02812	12.8
111.04369	4.3
114.92284	0.7
119.04879	3.5
120.99540	4.1
121.02798	4.8
122.99088	2.6
122.99927	0.9
123.00771	2.7
123.04394	7.4
124.01537	2.0
124.98891	1.4
125.02311	100.0
126.02677	0.9
131.04985	0.7
133.02853	2.5
135.04408	2.6
137.02322	27.4
138.03081	1.5
139.03882	11.6
147.04385	0.7
149.02338	6.2
149.06033	1.1
151.02800	1.1
151.03906	8.2
159.04422	2.7
161.02325	16.9
161.05957	2.5
162.03023	0.7
163.00218	1.9
163.03889	3.8
164.01054	5.0
165.01840	12.9
167.03409	10.7
170.62711	0.7
173.05978	2.0
175.03894	7.5
177.00290	1.7
177.01842	35.6
177.05423	3.5
178.02568	1.5
179.03407	10.9
187.03915	3.4
188.04713	1.2
191.03502	1.5
193.05019	1.1
199.04016	2.8
201.05508	2.5
203.03456	2.8
203.06987	4.3
204.04247	2.5
205.01401	2.4
205.04993	3.1
211.03940	2.0
213.05449	1.4
214.02751	0.9
215.03386	2.4
217.05096	1.8
219.02982	0.9
219.06557	6.5
221.04503	4.1
221.08049	1.0
227.03433	2.1
227.07014	1.1
228.04256	1.7
229.05046	3.5
231.02965	1.1
238.51382	0.9
239.05724	1.1
241.04807	0.8
243.02982	5.1
243.06645	1.5
245.04539	5.1
245.08232	4.2
247.02519	1.0
253.04968	1.1
255.02982	14.9
256.03830	6.7
257.04471	3.6
261.07645	2.1
269.04602	3.5
273.04071	5.3
281.04578	1.6
283.02502	7.8
285.04034	4.3
287.05646	12.7
287.15091	1.3
288.02679	1.0
289.07208	23.1
297.04013	4.5
298.04657	0.9
299.05652	2.7
303.05048	2.7
305.06674	54.5
306.07401	0.9
311.50388	0.8
339.08838	1.7
345.06238	1.5
355.08337	1.5
374.71088	0.9
381.09616	1.1
397.09381	2.2
407.07727	27.0
423.07187	49.8
424.07663	1.3
425.08844	12.0
441.08365	8.2
467.09811	14.5
575.11835	3.3
593.13013	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	593.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	7.4
62.21494	1.4
65.26882	1.2
65.82193	1.2
71.01225	2.5
74.49077	1.4
81.40485	1.5
83.01216	1.7
89.02309	1.3
95.04893	2.2
96.95879	6.5
97.02811	2.3
105.03316	2.2
108.64419	1.4
109.02814	6.9
111.04365	4.2
115.00215	3.7
123.00790	1.7
124.01514	1.8
125.02308	100.0
128.03421	4.5
133.04965	2.0
135.04341	1.4
137.02315	19.4
138.03142	1.8
139.03874	9.4
143.04544	3.1
149.02377	2.6
151.03903	5.9
153.60394	1.3
154.06117	2.7
156.34930	1.6
159.04430	2.0
161.02344	37.5
161.05911	1.9
162.02879	1.5
163.03926	4.0
164.01004	2.7
165.01826	8.5
166.02551	1.6
167.03430	9.7
173.05978	1.6
175.03931	6.0
177.01820	3.8
177.05463	5.1
179.03441	7.7
183.10052	1.8
185.02271	1.5
187.03970	3.2
189.05507	3.5
191.03436	2.0
201.05521	5.5
203.03438	2.9
211.03999	1.6
217.04976	1.9
219.06625	5.5
221.04456	4.4
243.02928	5.1
243.06604	2.5
245.04541	2.6
255.02991	11.1
256.03754	2.9
257.04541	2.9
269.04468	3.2
273.04150	3.4
283.02487	6.7
285.04166	2.6
287.05652	25.7
297.04044	5.0
305.06665	33.0
306.07562	6.7
355.08276	2.7
423.07211	64.5
424.07523	2.7
437.08633	2.0
441.08130	11.7
449.08554	5.6
467.09879	28.1
477.28391	2.2
593.13342	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	593.1305
Annotation	CHEBI:75674
Peak:m/z	Relative Intensity
51.75843	1.0
57.03315	10.6
68.88719	0.8
69.30499	0.7
70.17336	0.8
73.90215	0.8
78.39302	1.0
80.04134	0.8
81.03299	1.4
83.01236	4.6
89.76223	1.0
91.01743	0.9
93.03313	3.5
95.04866	3.8
96.95857	1.3
97.02821	3.3
107.04887	1.7
107.83340	1.0
108.02055	1.2
109.02818	21.2
121.02819	8.4
123.04378	15.4
123.33439	1.0
125.02311	96.2
126.02647	2.2
131.04874	1.2
133.02823	2.8
135.04410	1.6
137.02310	21.4
138.03162	0.9
139.03889	6.0
145.02774	1.4
147.04396	1.3
149.02341	12.9
151.03889	15.6
159.04396	2.2
161.02336	5.0
161.05986	3.6
163.00235	2.3
163.03888	4.0
164.01045	4.3
165.01810	6.6
166.02562	1.2
167.03444	5.1
175.03912	10.0
176.95670	1.3
177.01843	100.0
178.02249	1.6
179.03416	5.9
183.04527	1.1
185.05898	1.3
187.03943	9.4
188.04651	3.4
190.02731	1.1
191.03413	1.5
199.03972	1.4
201.05521	2.4
202.06291	1.8
203.03459	1.8
203.07076	11.1
205.01390	1.1
205.05037	6.7
210.45970	1.1
211.03944	2.8
213.05565	3.1
215.03497	3.0
217.04999	3.0
221.08119	2.1
227.03546	2.7
229.05052	3.5
230.05870	1.2
243.03024	4.5
245.04520	1.6
245.08199	11.2
255.03004	13.4
256.03708	7.5
257.04547	3.4
259.06235	1.4
261.04071	3.9
273.04086	6.3
281.04660	3.7
283.02554	3.5
285.04132	4.8
288.02563	1.2
289.07187	61.5
290.07452	2.5
298.04706	1.4
303.05084	9.0
305.06683	8.1
315.05099	2.9
321.07864	1.2
339.08841	4.7
341.07120	1.3
372.24692	1.1
381.09720	2.4
407.07742	73.6
408.08115	3.0
423.07336	5.7
425.08823	32.2
426.09286	1.4
441.08234	3.3
456.31668	1.3
467.09711	5.6
593.12799	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	593.1305
Annotation	CHEBI:75674
Peak:m/z	Relative Intensity
51.75816	0.9
55.71045	0.9
57.03315	10.1
58.34784	0.8
68.68364	0.7
72.92114	0.8
81.03311	3.4
83.01243	4.9
89.98020	0.8
90.14484	0.9
92.40318	0.8
93.03316	4.5
95.04885	1.6
97.02835	4.4
105.03313	1.2
106.09887	0.8
107.04910	2.0
108.02015	1.1
109.02814	21.1
121.02822	8.0
123.00675	1.2
123.04389	13.9
125.02314	91.6
126.02702	1.1
131.04858	1.0
133.02831	2.9
135.04385	1.1
137.02328	20.7
138.03163	1.1
139.03894	3.5
144.02992	0.9
145.02930	1.3
147.04420	1.2
149.02324	12.3
150.03090	1.7
151.03906	15.5
159.04391	3.6
161.02362	2.4
161.05997	4.0
162.03093	1.1
163.00235	1.6
163.03902	2.9
164.01065	3.2
165.01837	5.6
167.03412	3.3
173.06050	1.4
174.50287	0.9
175.03876	11.6
175.05026	0.9
175.07529	2.2
176.01202	1.2
177.01843	100.0
178.02245	1.8
179.03415	4.2
182.85738	0.9
187.03949	9.5
188.04710	3.4
191.03419	1.7
193.05019	1.6
201.05556	1.1
202.06261	1.1
203.03487	1.4
203.07071	9.8
205.01373	1.1
205.05032	6.4
211.04045	1.5
213.05568	1.9
215.03331	2.0
217.05060	2.4
227.03545	1.2
227.07106	1.5
229.05028	5.3
230.05931	1.5
231.02989	2.1
243.03006	2.8
245.08199	12.9
253.05040	2.1
255.02989	10.6
255.05310	1.3
256.03674	5.7
257.04599	1.8
261.04056	2.5
273.04053	6.2
281.04492	4.4
283.02557	1.9
285.04092	3.7
288.03012	1.1
289.07193	62.8
297.03989	1.6
303.05133	8.9
305.06647	1.3
315.05145	2.5
339.08710	5.7
381.09665	2.5
394.73569	1.0
407.07758	64.6
408.08142	2.0
425.08829	29.8
426.09290	1.5
441.08282	3.5
467.09958	6.6
593.13092	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	593.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45184	0.5
55.71032	1.0
56.76349	0.7
57.03313	9.6
68.36480	0.6
81.03310	2.6
83.01241	4.4
91.38172	0.6
93.03327	3.4
95.01254	1.2
95.04879	2.1
96.95870	1.6
97.02786	3.2
105.03330	1.4
107.04889	1.8
108.02054	0.8
109.02818	17.0
121.02813	8.3
123.00772	1.0
123.04379	12.9
125.02312	97.7
126.02605	1.3
131.04916	0.9
133.02808	2.5
135.04396	1.5
137.02321	25.9
139.03885	3.0
143.04930	0.9
145.02870	1.8
147.04401	1.0
149.02330	12.1
149.09924	0.7
150.03055	1.1
151.03893	12.7
159.04408	2.9
160.05193	0.9
161.02315	2.3
161.05957	4.4
162.03156	1.1
163.00281	2.3
163.03865	3.5
164.01028	2.5
165.01804	4.3
165.45035	0.7
167.03409	3.1
175.03928	8.9
175.07518	1.6
176.01016	1.2
177.01843	100.0
178.02295	1.8
179.03465	4.1
185.06033	1.6
187.03922	8.9
188.04695	3.2
189.01863	1.0
189.05510	1.1
190.02618	1.0
191.03391	1.4
199.03899	1.1
201.05553	1.0
202.06386	1.3
203.07042	8.2
205.01411	1.6
205.05009	7.0
211.03966	0.8
215.03316	1.2
217.05043	2.0
221.08160	2.6
227.03409	1.5
227.07092	1.2
229.05025	4.5
231.02899	1.8
237.05472	0.7
243.03011	2.1
245.08209	10.0
253.04945	0.7
255.02960	7.3
256.03738	3.7
257.04648	1.2
259.06143	1.1
261.04007	1.8
271.06189	0.8
273.04071	9.7
281.04474	2.9
283.02594	1.4
285.03986	2.5
289.07190	55.8
290.07568	1.6
297.04080	0.9
303.05035	7.1
305.06613	1.2
315.05112	3.5
339.08737	4.9
381.09708	2.5
407.07751	52.1
408.08054	2.4
425.08829	23.5
426.09351	0.9
441.08429	3.8
467.09909	6.4
593.13062	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30136	0.8
57.03316	7.4
58.72313	1.3
59.01236	1.2
66.78208	0.7
69.03303	0.9
81.03330	2.3
83.01244	5.8
93.03326	3.6
95.01242	1.4
95.04914	1.7
96.95882	3.4
97.02812	2.0
105.03310	1.4
107.01217	1.0
107.04855	2.1
108.02076	1.9
109.02827	10.9
111.04378	4.2
117.03384	0.9
121.02798	4.1
123.00756	4.6
123.04355	1.1
124.01541	2.8
125.02315	100.0
126.02660	1.2
131.04904	0.9
133.02911	1.1
133.06480	0.9
135.04407	2.1
136.54562	1.2
137.02325	56.6
138.03093	2.4
139.03903	12.5
145.06512	1.0
147.04413	1.3
149.02321	18.0
151.03935	5.5
159.04465	1.8
161.02338	19.5
162.03107	2.6
163.00273	1.0
163.03896	10.3
164.01105	2.6
165.01810	9.7
165.05502	6.4
166.02650	4.2
167.03401	21.1
173.05983	2.2
174.03188	1.1
175.03903	7.3
177.01854	44.9
177.05437	5.5
178.02548	1.3
179.03392	8.0
187.03972	2.8
188.01131	1.7
189.01869	5.2
189.05457	6.8
191.03419	9.5
191.07077	1.3
191.10773	1.0
195.04550	1.0
197.05952	1.5
199.07588	0.9
201.01851	1.7
201.05508	5.0
203.03401	7.0
203.07173	1.4
205.05003	2.7
213.05511	2.2
215.03526	1.6
215.07179	0.9
217.05029	2.0
219.02975	1.0
219.06653	4.9
219.10226	1.4
221.04616	4.3
225.05551	1.4
227.03598	2.1
227.07150	1.4
228.04359	1.3
229.05019	2.1
231.06587	4.1
233.04489	3.4
241.05086	2.1
243.06564	4.5
245.04602	2.7
247.02466	1.3
253.05026	1.2
255.06625	3.6
257.04590	2.0
257.07968	1.6
259.06149	1.1
261.07663	1.5
263.05618	1.3
269.04468	4.5
271.06113	2.2
273.04410	1.0
273.07803	1.1
275.05573	6.9
281.04550	1.3
283.05826	1.3
286.04871	1.4
287.05603	24.6
289.03564	2.2
289.07224	2.1
297.04123	1.6
298.04800	1.1
299.05649	15.5
305.06674	11.2
307.08148	2.3
309.08826	1.2
315.05249	1.6
317.06577	1.8
327.05325	1.6
329.06714	6.7
341.06665	10.9
413.08658	1.2
423.10980	1.7
425.08710	10.1
427.32944	1.7
437.08813	1.3
442.09576	1.2
455.09869	17.5
467.09860	43.0
468.10144	3.2
549.14075	2.5
593.13080	86.5
594.13354	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	593.1515
Annotation	Datiscin
Peak:m/z	Relative Intensity
50.85342	0.3
59.01225	0.5
59.84082	0.2
63.02260	0.3
66.36758	0.2
67.23521	0.5
67.23858	0.2
83.01218	0.4
93.03313	0.4
96.95863	0.2
99.21102	0.5
99.21722	0.5
106.03552	0.5
107.01249	1.2
132.02048	1.2
135.00743	1.1
149.77850	0.2
151.00235	2.5
159.04355	0.2
163.00264	1.0
164.00980	0.4
167.04990	0.4
178.99797	0.8
182.03650	0.3
183.04420	0.8
185.02441	0.3
185.06070	0.2
186.63924	0.2
187.03944	0.4
199.03926	0.7
200.04796	0.4
201.05623	0.3
211.03914	1.9
213.02136	0.3
213.05563	0.4
227.03458	41.2
228.03929	1.0
229.05037	1.8
239.03458	0.9
241.05194	0.3
254.92868	0.7
255.02977	75.8
256.03604	5.5
257.04593	1.5
283.02576	1.6
284.03262	100.0
284.16815	0.8
285.03955	12.0
286.04590	0.3
309.03876	0.4
327.05093	0.5
429.08298	1.4
593.15173	71.7
594.15454	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	593.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65414	0.6
56.66151	0.7
59.01232	0.9
67.23561	1.1
94.74111	0.8
99.21170	1.8
99.21733	1.5
99.66893	0.8
107.01243	1.1
120.04846	0.7
122.20445	0.8
132.02051	1.0
135.00824	1.1
151.00235	2.3
163.00243	1.6
164.01042	1.1
169.06473	1.0
187.03763	1.1
211.03920	1.7
220.40883	1.1
227.03468	35.3
229.04994	2.8
230.08398	1.1
239.03510	1.1
255.02986	65.6
256.03735	3.0
257.04575	1.8
283.02524	1.6
284.03271	100.0
285.04025	16.6
398.68439	0.9
413.08823	1.6
537.02185	1.0
593.15186	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	593.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16114	1.1
58.96189	1.1
69.47170	1.2
70.72749	1.3
73.09030	1.3
99.41879	1.4
101.04981	1.4
147.84476	1.6
151.00267	2.2
211.03963	3.1
227.03462	26.9
229.05060	8.1
255.02966	42.8
256.03766	3.3
257.04572	6.2
284.03278	54.2
284.06497	3.2
285.04056	73.6
286.04242	2.2
530.52795	1.6
576.51544	1.6
593.15173	100.0
594.15393	10.4
596.33606	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	593.1517
Annotation	Kaempferol-3-Glucoside-3''-Rhamnoside
Peak:m/z	Relative Intensity
50.89734	0.4
59.01233	1.7
61.98707	0.6
63.02248	0.8
67.23552	0.7
67.35160	0.6
69.55961	0.5
78.95764	1.0
83.01244	0.7
88.03884	1.6
88.98663	0.7
93.02783	0.9
93.03321	1.9
96.95870	1.1
99.21114	1.3
99.41907	0.7
107.01244	2.2
132.02052	1.0
135.00804	1.4
151.00262	2.7
153.01784	0.8
161.77821	0.6
163.00278	1.7
164.01091	1.0
165.01830	0.7
167.03491	0.7
167.04901	1.0
169.06396	0.6
171.04424	1.1
173.04419	0.6
178.99814	1.0
185.05956	1.9
187.03914	2.5
189.05528	0.6
191.05498	3.1
195.04401	0.7
197.06030	0.9
199.03983	1.0
201.05481	0.9
211.03973	2.3
213.05528	1.4
225.57028	0.6
227.03462	43.6
228.04001	1.7
229.05043	8.1
239.03423	1.8
255.02979	76.8
256.03677	5.6
257.04486	5.0
281.20578	0.7
283.02408	1.5
284.03265	100.0
285.04041	53.0
286.04459	0.9
413.08783	0.9
558.86224	0.7
593.15173	95.9
594.15430	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	593.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.9
59.01240	7.3
61.46877	0.5
65.57448	0.5
68.99651	1.0
71.01239	8.0
72.99162	0.9
73.02792	2.0
75.00710	0.6
76.19284	0.5
80.02502	0.5
82.91046	0.5
83.01226	2.1
83.04877	1.0
85.02779	1.7
87.00705	1.6
89.02309	4.5
93.73968	0.6
95.01189	0.6
95.04882	1.0
96.95856	2.4
97.02814	0.7
99.00739	3.8
101.02313	5.9
109.06446	2.2
111.00744	1.2
111.04365	0.8
113.02294	2.2
113.03429	1.0
115.00230	1.5
116.92702	0.6
117.44460	0.6
119.03361	0.9
119.04861	0.6
123.08002	0.5
124.01579	1.0
124.98710	1.4
125.02280	1.3
125.05970	0.6
128.03398	0.8
129.01839	1.0
130.08664	0.9
137.02283	0.9
138.03093	0.9
139.11205	1.1
142.99736	5.7
143.03368	0.7
147.08034	1.0
149.09576	1.0
151.04013	0.7
151.11166	0.9
154.99751	3.2
155.10635	1.4
161.04443	1.7
165.12733	1.1
173.00790	3.4
173.04391	0.6
175.57585	0.6
177.12790	1.4
183.10167	8.9
183.13742	1.5
189.09074	0.7
191.10680	0.9
193.08589	1.4
193.12259	1.5
197.11752	1.0
198.37465	0.7
203.10568	1.1
209.11790	6.4
211.09735	1.8
211.13310	5.2
221.08092	2.2
221.11784	3.8
223.13377	1.9
227.12836	2.9
231.10382	1.0
237.11269	3.0
239.09222	2.2
239.12883	4.4
243.16913	0.8
245.36598	0.7
249.11305	1.2
253.09290	2.5
255.12311	0.7
267.12521	1.2
313.12732	0.7
475.18362	0.8
478.23145	1.1
519.17371	2.2
563.19812	13.7
593.20807	100.0
594.21234	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.2
57.99274	0.4
59.00061	0.5
59.01244	34.9
60.99171	0.5
61.37582	0.8
61.37843	0.4
65.06513	0.8
65.06792	0.4
67.01750	4.6
69.03311	0.8
71.01245	2.9
81.03304	1.5
83.04873	1.3
85.02805	7.1
87.00715	2.3
87.47301	0.6
90.01849	0.4
93.03316	28.6
99.04393	0.5
109.02827	1.1
111.00751	0.8
111.04379	6.3
113.02310	1.0
116.89114	0.4
123.47595	0.4
125.02299	1.2
127.03847	2.1
137.02315	4.4
155.03384	6.1
169.01361	0.9
171.02969	0.5
172.98616	1.2
173.04460	100.0
174.04787	1.8
191.05539	93.6
192.05872	1.2
231.30493	0.5
253.15977	1.0
259.04514	0.9
262.59573	0.5
269.19128	4.0
271.20599	2.4
284.03238	0.7
297.18570	7.2
315.19656	3.8
333.20663	9.3
357.20697	0.7
367.13916	1.2
375.21786	77.1
376.22025	2.9
419.20764	12.5
420.21021	0.8
423.13190	0.6
483.01627	0.5
546.11377	0.5
593.26105	21.3
594.26331	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00845	0.1
55.09404	0.1
55.93791	0.1
57.03311	0.3
57.10673	0.1
59.00117	0.3
59.01242	18.5
59.02537	0.3
60.99173	0.1
65.06518	0.1
65.94385	0.1
67.01741	0.5
69.03313	0.2
71.01239	0.8
73.02814	0.3
81.03325	0.3
83.04875	0.6
84.96615	0.1
85.02805	7.2
85.05042	0.1
87.00733	1.6
93.03316	4.1
95.38163	0.1
99.00714	0.1
99.04380	0.3
109.02814	0.8
111.00758	0.1
111.04381	2.1
113.02298	0.1
127.03879	2.2
129.01796	0.3
129.05408	0.1
133.64740	0.1
137.02318	0.3
137.81451	0.1
155.03395	1.2
160.96683	0.1
169.01353	0.1
171.02867	0.7
173.04459	4.9
190.98973	1.0
191.05533	100.0
191.13145	0.7
192.05882	1.3
215.14375	0.1
237.16362	0.2
251.18097	0.1
253.15866	0.5
253.19693	0.3
255.02997	0.2
255.17525	0.2
259.04663	0.7
267.17603	0.2
269.19141	1.9
271.20667	1.5
284.03143	0.3
285.04089	0.5
297.18600	3.0
298.18918	0.1
315.19727	2.0
333.20709	3.9
334.21103	0.2
357.20737	0.3
375.21783	25.9
376.22049	1.2
419.20782	1.6
430.11066	0.1
431.09882	0.2
593.26086	12.5
594.26263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21809	0.7
59.01236	1.0
59.16591	0.7
61.47516	0.6
61.98680	1.3
64.53396	0.6
66.75983	0.6
67.29300	0.7
78.93948	1.1
78.95763	49.7
96.95853	2.0
96.96819	11.9
101.27400	0.7
119.04868	1.3
132.82208	0.8
139.43159	0.9
145.02824	2.6
150.97925	0.9
152.99478	48.6
160.84074	1.5
163.03891	0.9
169.12366	0.8
180.43115	0.7
197.94044	0.9
199.14026	0.8
216.42740	0.8
223.00082	2.0
241.01178	27.8
277.21732	50.7
282.27258	0.8
315.04929	7.4
370.09012	0.9
395.25278	1.0
413.20972	5.1
419.28296	1.1
532.08643	0.9
541.29224	1.1
575.27777	2.1
593.27374	100.0
594.28052	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36499	0.6
57.78996	0.5
59.01236	0.8
65.36646	0.5
65.42110	0.5
67.29301	1.3
67.29631	0.9
70.49113	0.5
71.21400	0.4
78.95762	42.9
78.97707	0.6
84.94987	0.7
86.46877	0.5
91.72773	1.1
96.52213	0.5
96.96822	9.1
97.80250	0.8
97.80772	0.6
98.16340	0.5
112.20652	0.5
119.04951	0.8
127.33428	0.5
145.02852	0.7
150.97916	1.3
152.99478	78.6
153.04742	1.0
171.00522	1.4
180.90733	0.5
195.69705	1.0
223.00082	10.5
223.02138	0.9
241.01164	22.7
259.02231	1.2
259.20718	0.6
260.77136	0.7
277.21741	49.0
315.04861	13.7
333.05865	1.1
413.21051	0.8
593.27393	100.0
594.27423	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	6.9
58.02836	22.4
59.01236	7.4
61.98688	18.3
67.02868	7.7
69.03315	3.9
70.02849	2.8
81.03310	2.7
82.95265	4.3
85.03925	20.5
87.05495	15.3
91.73335	4.6
97.03938	10.3
99.08030	11.4
114.01836	5.8
123.04402	3.6
123.08018	5.8
133.06471	2.7
167.65582	2.2
215.14374	16.0
217.12476	3.5
229.12306	4.0
231.13898	5.6
233.11900	3.4
244.13348	11.5
247.13269	4.9
255.92842	2.4
256.13498	5.9
258.15067	10.7
265.14566	6.0
267.16089	9.4
283.15677	3.2
315.17096	3.5
329.18768	5.9
337.18329	2.6
360.19733	4.2
377.21246	4.5
378.20850	6.7
394.23727	2.5
418.96878	2.3
443.25607	4.2
460.28738	4.4
461.26920	7.4
478.29636	100.0
531.31592	2.9
533.31128	3.2
549.33331	45.6
550.65839	2.6
593.32379	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	593.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45091	1.5
59.01245	5.3
69.53369	1.4
71.08238	1.6
78.95778	4.5
89.02323	1.9
101.02323	3.2
103.00280	1.8
116.07039	58.0
119.02522	2.0
119.03379	4.3
119.04942	3.1
126.95609	2.2
128.07060	2.8
128.47433	1.7
134.03635	2.8
141.01678	2.1
142.87741	2.1
145.02826	2.3
152.99539	3.7
160.84145	6.0
163.03958	4.3
282.28171	3.0
326.27017	100.0
374.04611	2.3
593.35699	9.0
594.10327	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	593.3854
Annotation	Hericenone E
Peak:m/z	Relative Intensity
50.75486	0.8
53.59346	0.7
54.65843	0.7
59.01250	0.9
67.62280	0.7
70.99951	0.7
85.70353	0.7
86.45000	0.9
99.08018	0.9
117.03325	13.3
119.04893	38.7
121.02818	3.0
123.04419	1.6
145.02841	38.7
162.03218	1.3
163.03903	20.8
166.07161	0.8
167.44705	1.0
223.86330	1.0
237.15874	1.0
239.20154	3.9
329.23349	1.4
390.56918	1.3
511.66660	1.0
518.47803	0.8
519.59296	1.0
549.37769	3.3
593.30231	3.9
593.38507	100.0
594.38910	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	594.3051
Annotation	HAMI3379
Peak:m/z	Relative Intensity
50.09710	0.4
51.22896	0.4
52.94548	0.4
57.94715	0.5
59.01236	3.1
60.71122	0.4
61.98687	1.5
64.99225	0.5
67.53221	0.4
72.00984	0.5
72.72177	0.5
75.19525	0.5
76.02026	0.5
78.93818	1.2
78.95761	100.0
78.97534	1.1
81.58112	0.5
92.13849	0.4
96.95874	1.2
96.96825	11.2
98.00556	1.4
110.96190	0.6
116.97092	1.3
124.00838	0.8
125.01646	3.0
130.23210	0.5
152.99474	19.6
168.13794	1.6
171.00548	27.3
194.05777	1.5
195.50211	1.9
209.15350	0.6
214.04803	0.8
220.65654	0.6
235.23622	0.6
242.17032	0.6
251.10782	1.4
268.09647	4.1
285.04074	0.9
366.16925	1.7
391.06479	0.5
394.78378	0.6
396.94260	0.6
496.22995	0.9
532.30359	1.1
534.28473	0.9
558.27136	0.7
559.22040	1.1
594.30542	79.7
595.30914	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00719	0.3
51.22987	0.4
53.19599	0.4
54.21838	0.4
57.38434	0.4
59.01238	2.6
60.31504	0.4
63.02250	0.4
65.00186	1.1
69.72191	0.4
71.01240	1.5
71.24243	0.4
81.03325	0.4
83.01247	0.9
87.00731	1.2
89.02287	0.9
93.15079	0.5
96.61752	0.5
96.62313	0.5
96.95853	1.3
97.67447	0.4
99.08023	1.3
101.02311	1.3
102.59936	0.9
102.60632	0.7
107.01225	2.7
108.02042	1.6
109.02802	1.4
115.00224	1.6
119.04866	2.1
121.02811	2.4
123.04402	1.1
125.02300	1.0
135.00728	1.2
148.01564	2.1
151.00256	11.8
155.03348	0.5
163.00230	2.3
163.03923	1.5
164.00980	1.0
165.05432	0.5
168.77115	0.4
169.01337	0.8
175.02399	3.8
178.99765	5.3
179.05470	0.5
187.44458	0.4
190.99715	0.4
192.00475	0.7
199.03862	1.1
211.03955	1.2
212.45369	0.5
215.03447	0.8
226.02696	1.0
227.03477	2.8
228.04131	0.5
243.02950	10.1
244.03471	0.5
245.04477	1.4
254.02165	1.8
255.02979	28.1
256.03522	1.1
257.04532	0.6
271.02496	60.2
272.03009	2.1
273.04028	1.0
283.02454	1.8
299.01901	1.9
300.02756	96.8
301.03522	36.2
302.03833	0.9
311.11337	1.9
312.11746	1.0
313.07236	1.1
313.12231	0.5
343.04633	0.7
477.19290	0.6
595.13092	100.0
596.13293	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	595.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.5
58.00444	0.5
59.01241	25.8
64.25218	0.4
65.00174	0.9
71.00874	1.0
71.01237	13.8
71.04868	3.2
71.24226	0.6
72.99162	0.9
73.02798	1.7
76.53103	0.5
81.03287	0.6
83.01220	2.1
85.02796	4.7
87.00732	1.7
89.02290	13.2
95.01251	1.3
96.61740	0.7
96.62350	0.5
97.02801	1.8
99.00735	1.0
99.04360	0.9
101.02296	11.6
102.59928	1.3
102.60578	1.0
107.01246	2.9
108.02043	1.2
109.02803	1.5
113.02312	6.0
115.00287	2.7
115.03868	17.9
119.03364	6.1
121.02805	2.3
121.64349	0.5
125.02295	0.7
131.03426	0.7
135.00809	0.8
143.03366	1.2
148.01555	1.6
149.04413	0.9
151.00249	11.1
151.01462	0.6
161.04434	1.7
163.00227	2.9
169.01273	1.3
175.02370	4.3
176.53194	0.6
178.99745	5.3
179.05505	2.5
183.04459	0.9
187.03769	0.7
193.01219	0.7
199.03976	1.1
211.03925	0.6
215.03685	0.9
226.02660	1.4
227.03445	3.7
235.13345	1.2
243.02977	9.0
244.03719	0.8
245.04485	1.6
253.14394	0.8
254.02145	3.0
255.02983	29.0
256.03354	0.6
271.02493	59.9
272.03088	3.4
273.04077	1.4
283.02487	1.6
299.01932	1.9
300.02753	99.5
301.03513	39.0
343.04736	1.3
397.18613	1.0
415.19757	11.1
415.25034	1.0
433.20822	12.3
493.22571	0.9
552.38141	0.6
595.13147	100.0
595.26123	36.2
596.13489	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	595.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68520	0.9
57.03333	3.1
57.40013	0.8
67.38089	1.0
69.03343	1.6
81.03351	2.8
83.00861	1.0
83.01221	5.2
91.73294	1.6
93.03334	1.6
95.01254	2.4
95.04921	3.3
96.95847	5.2
97.02850	3.8
107.04920	2.2
109.02818	18.4
109.03490	1.7
111.04377	5.7
116.92792	3.5
121.02860	4.7
123.00803	6.6
123.04378	5.8
124.01533	2.6
125.02319	62.6
125.05913	1.1
135.04465	3.5
137.02319	43.3
137.65109	1.0
139.03908	15.4
147.04407	2.0
149.02374	3.5
149.06050	4.7
151.03894	9.2
159.04478	3.0
161.02405	4.3
161.06030	2.2
163.00366	1.5
163.03981	2.5
164.01054	5.3
165.01839	16.2
165.03098	1.6
165.05557	1.1
167.03407	15.6
173.06047	1.6
175.03966	4.3
177.01866	10.6
177.05540	4.4
178.02618	1.4
179.03398	20.0
181.05063	2.1
187.04074	2.8
188.04742	1.1
191.03528	1.6
191.07118	1.5
201.05566	2.3
203.03514	3.8
203.07181	4.9
204.04257	1.7
205.05087	3.7
217.05078	2.9
219.06592	10.6
221.04523	9.8
233.08287	1.1
241.00388	3.0
243.06618	1.2
245.04482	1.7
245.08220	5.2
247.02402	1.4
261.07849	4.9
263.05466	1.9
271.06183	1.8
285.69757	1.2
289.07166	25.4
289.10287	1.5
305.06693	100.0
306.06979	2.9
317.06683	3.2
331.66428	1.2
347.07828	10.8
402.35709	1.2
427.10587	3.6
439.10495	2.8
451.10019	1.2
467.09912	7.0
485.10953	14.0
551.07300	1.9
551.15271	1.3
577.13574	1.8
595.14911	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	595.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66958	0.4
58.14503	0.4
59.01245	1.3
61.07218	0.4
65.00185	0.9
68.19447	0.4
68.99678	1.2
69.03294	1.5
71.01245	1.5
73.02807	0.7
75.00716	0.5
79.01759	1.9
81.03328	2.2
83.01232	4.7
85.02816	1.5
87.00726	0.4
88.63609	0.4
92.40659	0.8
93.03320	7.1
95.01252	1.6
95.04901	1.2
96.95863	0.5
97.02802	5.4
101.02288	1.1
105.03337	1.2
107.01243	7.1
107.04890	1.3
108.02020	1.0
109.02802	2.6
111.00761	1.2
111.04397	2.3
113.02330	1.9
117.03348	1.9
118.27647	0.5
119.01559	0.8
119.04890	46.9
120.05240	0.5
121.02814	4.2
123.00751	2.3
123.04403	3.9
125.02309	11.4
127.03858	0.5
128.89946	0.4
131.04912	0.7
133.02840	1.4
133.06551	0.7
134.03673	0.5
135.00713	0.7
135.04373	2.9
136.01561	1.1
137.02309	7.0
137.05972	1.4
139.03885	7.6
143.04913	5.4
145.02821	8.2
147.04408	4.0
148.01494	1.2
149.02303	5.9
149.05988	1.0
150.03119	1.9
151.00243	5.6
151.03912	2.2
153.01778	0.8
155.03394	1.3
157.06506	0.7
159.04378	1.0
161.02347	2.1
161.05984	3.8
163.00237	4.6
163.03911	5.1
164.01074	2.1
164.04781	0.6
165.01837	8.6
165.05504	1.0
167.03403	12.5
169.06450	0.5
173.05876	0.7
175.03943	1.3
176.01056	0.7
177.01848	6.6
177.05505	1.1
178.02612	2.0
179.03381	4.0
181.05058	0.7
183.08093	0.6
185.06012	1.4
187.03928	8.2
189.01782	1.0
189.05447	1.2
190.02614	0.9
190.99745	0.6
191.03473	5.3
192.00569	1.6
193.01352	12.2
193.05032	1.4
195.02911	0.8
197.04489	4.3
197.06062	1.2
198.06734	0.7
199.07553	3.0
201.01924	0.6
201.05508	0.8
203.03372	0.8
203.07095	0.9
204.00600	0.6
205.01395	9.3
205.05035	1.7
206.02031	1.2
207.02928	5.1
209.04474	5.1
211.07533	1.0
217.01443	1.3
219.02960	4.3
221.04530	2.0
222.01720	0.7
223.02412	2.7
226.06314	1.1
227.07159	4.1
229.04999	0.7
231.03073	1.0
233.04587	1.4
235.02438	18.6
239.05286	3.0
241.08682	1.8
243.06650	1.1
245.08208	1.1
247.02409	2.1
249.04060	2.3
251.05510	0.7
253.08707	0.8
261.04068	3.1
265.03561	6.9
265.08813	2.8
267.06607	1.3
269.08118	1.8
271.06119	5.6
273.03922	0.8
281.08206	0.7
283.06189	3.0
283.09470	0.6
285.07562	1.0
291.05307	0.7
293.08066	1.0
295.04755	0.7
297.07770	1.1
301.07306	0.6
313.07162	22.6
314.07712	0.7
325.07181	10.3
326.07657	0.9
327.08810	1.6
337.07047	0.9
339.08783	1.5
341.09781	0.6
343.08240	8.3
355.08243	100.0
356.08514	3.6
367.08267	6.0
369.09644	1.4
383.07568	1.1
385.09311	76.8
386.09561	3.9
397.09198	4.5
399.10785	0.6
409.09613	0.6
415.10330	21.4
416.10522	0.8
427.10345	1.5
439.10287	1.1
457.11423	9.3
458.11630	0.7
469.11337	1.0
475.12445	35.4
476.12988	2.2
487.12637	6.9
505.13513	9.9
577.15717	3.7
595.16730	98.7
596.16992	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	595.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11346	0.3
53.28874	0.3
54.08807	0.3
57.03321	0.6
59.01256	0.9
65.00188	1.2
65.40508	0.3
65.71392	0.3
67.65114	0.4
68.99668	1.1
69.03323	1.0
71.01244	1.4
75.00719	0.6
77.03813	0.5
79.01751	1.7
81.03310	2.3
83.01237	5.8
85.02808	1.0
87.00741	0.6
88.98567	0.4
91.05381	0.5
92.40607	0.6
92.41101	0.5
93.03302	6.1
95.01250	2.1
95.04890	1.1
96.95884	0.5
97.02202	0.7
97.02796	5.0
99.00746	0.8
99.84779	0.4
101.02338	1.1
105.03339	0.8
107.01243	8.7
107.04228	0.4
107.04858	2.0
108.02058	0.9
108.80293	0.4
109.02803	3.6
110.79771	0.4
111.00752	1.0
111.04351	2.1
113.02312	1.7
113.03619	0.5
117.03339	2.0
119.04890	46.2
119.08287	0.9
120.05290	0.4
121.02811	3.9
122.03619	0.4
123.00759	1.7
123.04394	4.2
125.00916	0.4
125.02316	11.4
133.02797	1.1
133.06487	0.9
134.03636	0.5
135.00760	0.7
135.04388	3.6
136.01578	1.0
137.02322	6.5
137.03328	0.3
139.03900	7.2
143.04912	6.3
145.02838	8.3
147.04391	3.6
149.02330	6.5
149.05936	0.7
150.03110	1.9
151.00258	6.2
151.03902	2.4
153.01784	0.4
153.05449	0.7
155.03386	1.4
157.06516	0.7
158.03613	0.5
159.04399	1.6
161.02322	2.1
161.05981	3.0
162.03061	0.5
163.00267	3.6
163.03911	5.5
164.01030	1.7
164.04697	0.8
165.01828	6.9
165.05490	1.2
167.03406	12.6
169.01360	0.6
169.05057	0.5
171.04384	0.7
173.02432	0.6
173.05994	0.9
175.00282	0.4
175.03922	1.9
176.01030	1.3
177.01837	6.9
177.05516	1.1
178.02644	1.7
179.03438	4.8
180.04196	0.6
181.01279	0.6
181.04953	0.9
183.08096	0.6
185.06010	1.4
187.03914	8.3
189.01826	1.9
189.05542	1.6
189.99017	0.7
190.02699	0.7
190.99802	0.8
191.03442	5.2
192.00572	1.2
192.04169	0.5
193.01350	13.2
193.05016	1.5
195.02821	0.6
197.04410	3.1
197.05963	0.6
198.06799	0.9
199.07549	2.9
201.05484	0.5
202.99860	0.6
203.03444	1.4
203.07059	1.1
204.00566	0.5
205.01364	10.9
205.04881	1.9
206.02124	0.9
207.02945	6.3
209.04489	5.3
211.07600	1.0
215.03307	0.6
217.01390	1.7
217.04933	0.5
219.02928	4.0
220.03696	0.5
221.04463	2.0
223.02422	2.1
223.07736	0.6
225.05537	0.8
226.06245	0.8
227.07162	4.1
228.66798	0.4
229.05096	0.8
231.02977	0.7
233.00868	0.6
233.04651	2.0
235.02448	19.4
237.03900	0.6
237.09013	0.6
239.05284	3.1
241.08618	2.0
243.06627	1.4
245.04463	0.5
245.08211	1.5
247.02385	2.1
249.03969	3.5
251.07497	0.5
253.08556	0.9
255.06596	0.5
255.10168	0.5
257.08047	0.6
259.02618	0.5
259.67828	0.4
261.04016	2.8
265.03580	7.1
265.08594	2.2
267.06570	1.6
269.08353	1.1
271.06134	5.5
273.03952	0.6
277.03357	0.6
281.08319	1.0
283.06146	2.8
283.09781	1.2
284.06882	0.9
285.07629	0.8
291.04965	0.9
293.08167	1.2
295.04684	1.2
297.07639	1.4
301.07114	0.7
311.05753	0.7
311.09280	1.0
313.07178	24.0
325.07230	10.7
326.07394	0.4
327.08701	1.6
337.07278	0.9
339.08929	2.1
341.10089	0.8
343.08228	8.9
347.64264	0.5
353.06287	0.5
355.08246	100.0
356.08609	4.4
357.09729	0.5
367.08209	6.2
369.09778	1.2
383.08191	0.5
385.09317	79.0
386.09625	2.7
397.09286	4.0
398.09119	0.4
399.10794	0.7
415.10388	22.4
416.10889	0.9
427.10263	1.9
433.11404	0.6
439.10208	1.4
445.11539	0.9
457.11417	8.5
475.12457	37.2
476.12808	1.2
487.12622	5.3
505.06204	0.6
505.13461	10.1
523.13690	0.5
535.14972	0.5
559.14410	1.1
565.88660	0.4
577.15723	5.1
595.16736	94.4
596.16986	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	595.219
Annotation	Kadsuphilol C
Peak:m/z	Relative Intensity
50.34766	0.9
59.01243	19.2
61.98689	2.4
62.22020	1.0
63.11282	1.1
68.99672	14.8
69.03315	1.1
78.70895	1.0
81.03296	1.7
81.51354	1.1
93.03340	2.2
96.95876	1.6
108.02032	55.1
109.02822	13.2
117.03295	3.8
121.02831	12.7
122.03616	8.6
123.00758	11.2
123.04390	42.0
132.02051	9.3
133.02808	6.1
134.03616	4.4
135.04376	3.8
136.01529	5.9
138.03110	15.4
147.04358	5.9
148.01524	6.2
149.02353	8.0
149.06017	2.2
150.03116	32.5
151.03888	4.5
153.01833	1.7
153.05479	4.1
159.04462	2.7
160.01556	1.9
160.05161	2.4
161.02347	15.5
161.05978	2.3
162.03127	32.5
163.03906	17.9
164.00941	1.6
164.04642	2.1
164.72943	1.3
165.05505	5.3
167.03436	1.3
172.05269	1.9
175.03938	1.7
177.01939	7.7
177.05487	54.1
178.02632	73.5
179.03391	10.7
180.04169	2.2
189.05550	3.3
190.06337	3.1
192.04181	4.7
193.04990	100.0
194.05728	7.3
195.06628	2.6
197.82690	1.2
205.08699	3.5
209.03233	1.4
209.08247	1.6
219.58344	1.2
255.03004	1.3
268.32666	1.2
285.07782	1.4
296.10654	1.3
311.13132	1.7
326.11731	4.7
327.85541	1.4
329.13657	1.7
341.14035	5.5
373.12885	1.5
381.13358	2.9
393.13806	2.2
401.16202	4.4
403.13837	2.7
441.15607	3.9
505.18713	15.6
517.18665	7.7
535.19751	25.3
536.19971	1.5
565.20886	20.9
577.21045	6.3
595.21954	92.5
596.23053	6.3
596.30884	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38745	1.9
56.36805	1.8
58.99977	1.8
59.01241	100.0
59.02377	1.9
61.98705	4.8
71.41809	1.9
72.80299	1.5
75.58967	1.5
82.95291	3.7
93.03309	3.9
96.95895	4.1
107.04932	2.5
108.02061	5.0
116.92720	2.1
121.02876	2.8
123.04369	4.9
124.97425	1.8
133.02866	4.1
135.04396	14.8
136.05185	7.3
145.02818	6.0
146.03622	3.5
147.04488	2.9
148.05281	3.0
150.03148	7.8
151.03842	2.2
161.02376	6.9
162.03154	5.8
163.03992	6.5
164.04701	7.3
165.05461	4.2
165.48045	2.0
177.05565	4.3
179.07054	2.9
193.05061	6.9
194.05742	23.3
196.03624	2.1
204.04251	3.4
207.06511	3.4
209.08115	5.6
219.06570	4.4
222.05141	9.5
226.04839	3.6
235.19505	2.5
237.07648	45.2
237.09848	2.8
239.07178	4.0
240.04230	4.0
249.07686	4.0
255.06604	3.3
265.20801	2.3
267.06567	3.9
268.58246	2.3
269.00864	20.2
270.09030	3.9
281.00903	10.0
282.08954	3.5
313.07111	4.1
318.60260	2.9
325.07089	8.5
328.09775	9.5
340.09399	12.2
341.04504	4.0
343.11877	49.1
354.05301	2.8
355.11871	54.6
369.04126	8.9
371.05780	4.5
373.12772	10.7
397.03494	4.3
398.04294	6.8
399.04681	3.2
442.03189	4.2
443.04071	62.0
444.04483	7.1
459.16559	12.7
517.17950	2.6
562.49774	2.5
595.08826	4.6
595.22711	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	595.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54134	0.4
56.23703	0.5
57.03309	0.9
58.00445	0.6
59.00076	0.5
59.01242	18.7
59.02544	0.5
59.56393	0.5
67.01741	0.7
71.01237	19.0
71.50318	0.4
72.99164	1.1
73.02804	2.0
74.02310	0.5
75.00737	1.2
79.22214	0.5
81.03291	0.8
83.01247	5.7
83.04879	0.6
84.02016	0.9
85.02789	3.6
87.00732	16.0
89.02299	8.7
90.02752	0.5
95.01229	1.2
95.04834	0.5
96.95874	2.0
99.00755	1.6
99.04388	1.0
99.39732	0.6
101.02296	5.3
101.06009	0.6
111.00745	5.7
113.02293	4.3
114.97061	0.7
115.00232	49.7
115.03860	1.1
119.03355	3.0
119.20822	0.5
121.02789	0.8
123.04374	2.0
125.02319	3.6
127.00250	0.9
131.03288	0.6
137.02299	0.7
138.61342	0.6
139.00238	9.1
140.09381	0.5
143.03409	0.7
148.81653	0.5
151.03862	0.5
157.01323	12.4
161.04472	2.0
165.05495	0.8
167.03419	3.5
175.02385	100.0
176.02805	1.1
179.03375	0.6
179.05521	2.2
183.10162	0.7
183.13918	0.5
193.12189	0.7
195.10213	0.9
197.04422	1.1
197.11647	1.6
206.08241	0.7
207.13704	0.9
209.04501	7.7
209.11752	0.8
210.04881	0.6
211.09727	0.8
211.13324	2.0
213.11255	6.1
219.10275	1.5
223.09676	0.8
223.13490	0.9
225.11356	0.9
225.14954	0.7
227.12834	1.0
233.11839	1.4
235.13335	0.8
237.11272	1.1
239.05569	5.0
241.10771	1.4
241.14362	1.9
251.12906	0.7
253.09320	1.7
253.14406	2.0
259.11792	1.1
261.11307	2.0
269.06604	2.0
272.59583	0.6
279.12350	1.0
279.24234	0.5
301.03586	0.8
313.07300	0.6
313.10663	0.8
329.08646	2.1
335.58475	0.9
355.08151	2.8
373.12930	1.8
385.09265	2.0
449.12683	0.8
449.19724	0.9
451.17868	0.7
461.20511	0.7
465.19849	0.9
475.12463	1.2
477.19595	9.4
491.21283	3.4
495.21255	2.8
497.78693	0.8
515.21332	1.7
533.22223	4.9
535.19922	1.5
535.27484	8.7
595.16260	1.6
595.25415	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.5
57.03315	33.7
57.04520	0.7
58.40770	0.5
59.01241	48.3
59.02499	0.9
61.98683	0.8
63.50208	0.5
69.03303	0.9
71.01238	31.3
72.99158	1.5
73.02802	12.5
75.00728	0.8
75.24797	0.5
81.03306	2.1
83.01234	5.5
85.02800	16.8
87.00726	2.4
89.02290	8.9
95.01243	2.9
97.02797	3.7
99.00713	4.8
99.04374	34.8
101.02303	34.0
101.05155	0.6
111.00707	0.7
113.02302	16.5
115.03844	0.5
119.03346	2.5
120.14632	0.5
124.01498	1.0
125.02311	29.7
129.01808	1.0
137.31287	0.9
143.03383	5.5
144.81412	1.3
147.33897	0.6
159.02893	3.5
161.04446	17.1
173.04465	1.0
179.05507	1.2
221.06593	0.6
271.15427	0.6
283.19159	0.6
289.16592	10.4
305.08817	0.8
323.09808	0.9
350.61096	0.7
363.97018	0.7
385.18640	0.7
433.20807	24.2
434.21350	1.3
451.21866	100.0
452.22260	3.4
493.22733	7.8
493.28427	0.7
501.14017	0.6
533.26172	0.7
541.29993	0.9
556.63843	0.6
557.32703	0.9
595.25891	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	595.2893
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
50.00948	0.2
50.52061	0.4
56.29596	0.3
56.94157	0.3
59.01238	0.7
59.18322	0.3
61.98684	1.4
67.36990	0.7
67.37305	0.4
68.41280	0.3
78.47831	0.3
78.93856	0.7
78.95758	54.1
78.97463	0.8
80.61777	0.3
96.96819	10.9
98.35964	0.4
100.59080	0.3
117.29530	0.4
125.02335	0.4
140.35999	0.3
150.97922	0.9
152.94269	0.9
152.99472	88.6
153.03944	0.9
153.99844	0.5
166.97636	0.3
171.00569	2.7
194.23181	0.3
223.00082	10.8
240.90820	0.4
241.01160	24.4
259.02316	1.5
279.23294	69.6
280.23697	1.8
315.04880	15.3
333.05786	1.1
360.11511	0.5
399.51569	0.4
595.28943	100.0
596.29187	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	595.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52063	0.4
51.88478	0.3
51.88796	0.3
57.92038	0.4
59.01233	0.5
63.62331	0.4
65.96859	0.4
67.37018	0.7
75.00728	5.5
78.93755	0.7
78.95758	54.0
78.97557	0.9
80.01779	0.5
90.01363	0.4
96.96820	12.7
98.35899	1.0
98.36574	0.8
100.22466	0.4
101.02278	0.6
113.94263	0.6
117.03292	1.1
118.99060	0.5
119.04876	0.6
128.75514	0.4
134.98454	0.6
138.38249	0.5
145.02814	1.8
150.97910	0.6
152.99471	52.3
160.84149	0.8
162.83818	1.2
163.04044	0.5
171.00478	0.8
180.36180	0.4
180.61086	0.5
195.31702	1.0
222.02982	0.4
223.00125	2.6
226.37555	0.4
241.01160	30.0
259.02274	0.9
279.23291	66.2
279.35349	0.9
280.23596	2.7
315.04883	8.8
415.21976	4.3
433.23923	0.6
595.28943	100.0
596.29156	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	595.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52073	0.5
59.01228	0.6
66.54157	0.5
67.14175	0.4
67.36990	1.2
67.37326	0.9
68.63256	0.4
78.94030	0.7
78.95760	45.7
79.30730	0.4
91.73402	0.6
94.30587	0.4
96.96821	9.5
98.35976	0.7
98.36512	0.7
100.59359	0.6
119.04884	0.5
131.07706	0.5
135.31853	0.5
145.02832	1.1
149.70908	0.5
150.97855	0.8
152.99474	81.3
153.04689	0.9
162.83839	1.2
171.00528	1.9
195.31668	0.6
223.00084	9.4
241.01160	22.6
259.02237	1.1
279.23297	64.0
280.23727	0.9
311.92041	0.5
315.04901	13.6
333.05988	1.1
538.51971	0.5
595.28949	100.0
596.29205	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	595.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67007	0.5
58.22717	0.6
59.01242	0.8
61.98685	1.2
66.46751	0.5
70.68797	0.6
73.03925	2.2
73.95243	0.6
82.06493	0.7
87.05502	4.6
87.63036	0.6
91.98465	0.7
94.06526	0.7
96.95882	0.9
97.03864	1.0
97.77019	0.7
110.03447	0.8
115.08639	1.5
119.04892	1.1
125.07117	0.7
127.08572	0.7
129.10208	7.2
135.51892	0.7
137.07063	2.2
139.08633	2.2
140.07030	2.8
145.02829	2.3
151.08640	2.0
153.10236	1.2
154.09747	1.9
155.08128	1.8
155.11789	1.8
157.52342	0.6
163.03822	1.5
165.10222	5.8
169.09718	2.3
172.10890	3.1
182.12962	4.6
183.11275	1.6
183.14890	0.8
186.12387	6.3
193.13350	2.8
197.16537	1.3
200.05812	0.7
200.13962	8.2
207.14986	2.4
210.16086	1.5
211.14458	0.9
224.17656	3.0
225.16144	1.2
228.17084	3.9
242.18761	3.6
267.18298	1.3
268.20328	1.1
281.19946	1.1
295.21283	1.1
297.37149	0.7
299.20923	1.8
313.22440	1.1
338.21918	1.2
356.23123	4.0
368.22998	2.4
370.24539	6.4
380.26703	3.6
394.28140	1.0
398.27795	4.8
412.29315	1.6
426.30728	3.0
433.26614	0.9
465.17392	0.8
501.32220	0.7
521.37866	0.9
565.37213	100.0
566.37744	2.3
577.37213	6.2
595.29510	1.3
595.38397	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	595.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00083	1.3
59.01242	65.0
59.02515	1.0
65.46251	0.4
68.99432	0.6
78.45197	0.5
78.95731	0.8
95.38261	0.5
119.01213	0.5
139.11169	0.7
172.30424	0.5
188.76099	0.5
210.04599	1.2
221.19017	0.7
238.09999	0.5
249.18613	2.4
264.29117	0.6
265.18027	0.9
267.19662	100.0
268.19955	2.0
285.20715	45.7
286.21091	1.7
327.21790	19.2
375.49557	0.7
472.71252	0.5
535.40057	24.0
536.40253	1.3
553.41180	10.5
595.42212	42.8
596.42682	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	597.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12117	0.4
57.13665	0.3
57.26504	0.4
58.67603	0.5
65.91250	0.6
66.66204	0.4
73.06594	0.4
74.43017	0.9
76.83643	0.5
80.96955	0.4
96.95856	1.7
99.28427	0.5
109.02820	2.7
115.05382	0.7
116.79035	0.5
123.04341	0.6
125.02332	0.7
133.02831	1.3
135.04404	0.9
143.04880	2.0
145.02797	1.3
147.04395	0.8
149.02330	2.3
150.03102	5.2
153.01772	1.9
158.03569	0.6
159.04428	2.1
161.02347	0.8
163.03862	0.7
165.05490	5.4
169.06465	0.5
171.04398	2.5
173.02296	0.9
177.01837	5.5
178.02643	1.2
179.03403	1.0
180.04222	0.7
181.06517	0.9
182.03685	0.4
183.04533	0.7
185.02428	0.9
186.03078	0.7
187.03937	18.2
192.04195	6.5
193.04973	1.6
193.06561	0.6
194.05687	0.7
195.06512	3.5
197.02371	1.1
197.05992	1.5
198.03114	0.7
199.03935	4.8
209.05991	3.4
209.08113	1.7
213.01871	1.4
214.02661	2.1
215.03442	12.4
219.04425	1.1
221.06143	0.8
224.04727	1.0
225.05565	2.0
226.02618	1.6
235.03923	1.1
236.04732	0.5
237.05548	5.3
241.01369	1.0
241.99840	0.5
242.02208	1.8
243.02966	23.9
247.03996	0.9
248.04771	0.6
252.04216	1.1
253.04968	3.8
264.04376	0.7
265.05093	3.3
267.06714	1.5
269.08209	0.5
281.04541	20.2
281.17212	0.5
287.01981	100.0
288.02225	1.5
291.02954	0.6
309.04056	43.6
310.04688	1.4
311.05600	3.3
379.69366	0.5
403.11893	0.6
423.12964	0.6
444.04858	3.5
445.05795	3.3
549.17584	1.5
597.05951	0.8
597.20087	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85062	0.4
54.55033	0.5
55.65063	0.4
59.01228	2.0
63.23076	0.5
69.03301	0.9
71.01227	1.5
71.58749	0.5
72.98789	0.8
72.99168	11.6
73.02797	1.0
73.90517	0.7
80.86272	0.8
81.03321	0.5
83.04873	2.8
85.02814	1.2
89.02235	0.5
89.48932	0.6
89.84285	0.5
93.03299	1.7
97.02795	1.0
98.40936	0.8
99.04370	1.7
99.07999	1.1
101.02275	0.5
107.04874	0.6
108.02016	1.0
111.00717	0.7
111.04369	1.8
113.02328	0.6
115.03883	1.9
117.23582	0.5
121.02895	0.8
121.06479	0.8
121.10122	1.0
125.02267	0.9
127.03880	5.2
133.06483	0.9
134.03566	0.7
137.05966	1.7
137.09595	0.8
140.04671	1.0
141.06946	0.6
141.09065	0.6
142.99718	0.7
143.04832	0.6
146.84247	0.5
147.04341	0.7
149.02281	0.7
149.05952	1.9
149.09618	5.6
151.11095	0.7
158.07315	3.7
160.01581	1.1
161.05998	1.1
163.11037	0.8
165.09099	1.0
167.10680	2.1
171.04420	2.1
172.05125	1.0
173.00844	1.2
173.04453	2.3
175.03903	1.5
175.07570	1.0
176.08197	0.6
177.09113	1.2
179.10675	1.6
185.06046	1.5
186.06789	7.0
186.10164	0.7
187.07269	0.6
187.14871	1.1
195.05148	0.9
195.10170	1.3
197.11758	1.0
199.07565	0.7
202.06334	0.7
203.07135	0.7
204.07808	1.0
204.11441	0.8
205.15987	1.5
207.10179	1.1
212.04681	0.8
214.09958	2.7
215.10519	0.5
215.14359	12.2
217.15900	0.9
218.02045	0.8
219.13823	0.7
223.09731	0.7
225.11119	1.6
225.12840	1.8
228.11684	0.6
230.05690	0.8
231.10242	2.0
231.13843	1.9
232.10979	1.1
233.15446	5.4
243.13878	20.7
246.40321	0.6
248.06871	0.7
249.15045	0.6
251.16472	1.1
259.13403	2.6
261.14969	8.4
269.11975	0.7
277.14453	2.2
279.16110	2.2
287.12885	34.9
295.15277	0.8
305.13931	4.0
323.14899	1.0
331.11798	2.9
349.12930	22.3
350.13156	0.7
367.13989	100.0
368.14322	3.1
395.13452	6.2
423.12976	37.3
424.13397	1.4
435.23450	1.1
449.27289	0.7
476.54935	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58003	0.5
59.01235	1.6
68.99660	1.1
69.03297	1.0
70.80343	0.6
71.01260	1.7
73.02803	0.9
81.03311	7.4
83.01235	5.9
85.02814	1.6
92.91062	1.4
92.91579	0.9
93.03323	5.6
95.01237	1.4
95.04871	5.1
97.02804	5.1
99.00735	0.8
99.04365	2.5
107.04905	1.7
109.02778	3.6
109.06448	1.1
111.04386	2.5
113.02301	1.6
119.04899	8.1
121.02805	3.6
121.06403	1.2
123.00725	1.2
123.04383	15.9
125.02325	12.0
133.04948	0.9
133.06432	0.9
135.04420	6.0
137.02339	4.8
137.05946	7.3
139.03879	10.7
143.95660	0.7
147.04379	2.9
149.02335	1.1
149.06012	1.8
151.03923	4.2
153.05435	1.8
155.03395	1.4
159.04428	0.9
161.05980	1.8
163.03891	5.0
163.07559	1.4
164.04707	1.3
165.01843	2.7
165.05458	8.6
166.02591	1.8
167.01978	1.5
167.03400	30.6
175.03903	0.8
175.07454	0.7
177.01794	1.3
177.05518	2.1
179.03394	6.8
179.07091	2.2
180.04198	1.5
181.05003	2.8
183.34171	0.7
189.05513	9.0
191.03433	3.2
191.07101	1.2
193.05038	4.3
195.06580	1.1
197.04485	5.4
203.03502	0.8
205.04970	1.2
207.02997	1.1
207.06560	2.0
209.04498	28.9
219.03018	1.2
221.04497	6.3
223.06174	1.0
229.08821	1.7
231.06631	0.7
233.04514	1.9
235.06059	0.8
239.05565	10.6
245.04695	0.8
251.05663	5.8
259.77335	0.7
263.05600	1.6
269.06323	1.3
273.07642	3.3
281.06851	1.3
285.07669	1.3
293.06711	0.8
294.24884	0.8
315.08771	17.7
327.08664	8.8
333.47601	0.8
339.08780	0.8
341.10416	1.3
345.09769	7.0
357.09814	100.0
358.10150	3.5
369.09958	4.7
371.11218	1.0
385.09241	0.8
387.10883	72.0
388.11218	1.9
399.10889	2.3
417.06522	1.4
417.11932	22.5
429.11890	1.8
441.12189	1.2
459.12961	8.9
471.12473	0.9
477.14014	17.2
489.14175	6.9
507.15219	3.4
561.17792	1.0
579.17175	1.8
597.18420	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.8
57.17932	0.6
59.01239	2.0
66.57032	1.3
69.03336	0.9
70.90363	1.0
71.01227	3.0
72.99157	1.4
73.02811	3.7
75.00713	1.1
81.03319	1.7
83.01234	4.1
85.02814	3.9
87.00729	26.9
89.02289	0.8
93.03316	1.5
95.93314	0.9
96.95857	1.3
97.02809	2.2
98.13705	0.8
99.00739	4.8
100.01503	2.4
101.02276	3.0
102.47936	0.6
108.02021	1.1
109.02810	2.6
109.99978	1.3
111.00740	33.9
111.49215	0.7
112.98702	1.1
115.00246	1.1
117.82684	0.7
121.02802	2.6
122.03612	9.3
123.04343	1.8
124.01456	0.9
125.02330	3.4
127.03862	0.9
129.01805	1.4
130.02539	0.7
131.03365	2.6
133.02797	1.3
135.04413	0.8
135.49980	0.7
136.01561	1.1
137.02307	1.8
138.03116	2.3
139.03928	1.4
147.02812	1.8
149.02324	23.9
149.05865	1.1
150.03110	83.9
151.00240	1.5
151.03909	8.8
153.05499	0.9
161.02383	4.5
163.03914	2.0
164.03302	1.1
164.04669	13.4
165.05469	79.1
165.11140	1.0
166.02620	3.3
166.05852	1.2
167.03397	1.2
173.00816	1.5
175.03879	1.0
176.04666	2.8
177.01779	1.2
177.05458	1.3
178.02565	1.2
178.06287	1.3
179.03386	4.4
179.07043	12.8
180.04182	7.1
181.04950	5.2
190.02571	0.8
191.01840	2.0
191.03444	1.7
191.05511	3.2
191.07005	1.5
193.04912	1.0
193.08655	1.0
194.05794	6.7
195.06552	23.3
203.03441	1.0
204.04129	0.8
205.04990	2.1
206.05751	1.2
207.02893	1.0
207.06540	1.5
209.08153	7.5
219.02997	1.9
219.06593	2.0
220.03593	1.1
220.07515	1.1
234.01550	0.9
234.05269	2.9
237.07661	1.7
246.05319	1.6
247.06075	2.9
249.04001	4.2
249.07724	5.4
250.04909	1.2
261.07611	2.0
263.05634	0.9
264.06375	14.2
265.07138	7.2
277.07294	1.0
279.08734	1.3
291.05142	0.8
291.08511	1.7
305.06644	1.5
321.09900	0.9
337.09299	6.4
342.10898	1.8
357.13425	1.6
393.99448	0.7
400.09952	0.8
413.12387	8.3
449.14697	0.9
461.14566	50.2
462.15057	2.1
473.14584	2.2
487.16068	2.7
505.16870	2.4
517.17041	2.1
521.16290	4.0
531.15356	0.9
533.16681	1.4
548.27484	0.8
551.84027	0.9
579.17181	8.8
597.18286	100.0
598.18365	4.4
603.06061	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38025	0.6
56.04984	0.8
56.44055	0.7
56.54449	0.7
57.03299	1.4
58.02849	0.7
59.01226	2.9
65.67218	0.8
66.57043	1.3
66.57345	0.8
69.03300	1.2
70.90359	1.3
71.01241	5.4
73.02797	5.6
75.00739	1.1
81.03316	1.3
83.01229	2.3
85.02790	3.7
87.00198	1.7
87.00727	26.6
92.80394	0.8
93.03291	2.4
96.95841	2.6
97.02798	2.2
99.00739	4.4
99.05507	1.0
100.01514	4.6
101.02293	3.7
105.03298	1.0
109.02804	1.8
111.00742	14.6
112.98655	5.1
113.02245	1.1
121.02813	3.7
122.03601	10.1
123.00752	7.8
123.04362	0.9
125.02299	1.0
127.03843	1.9
128.03369	3.3
129.01801	1.2
130.02522	1.0
130.86378	0.8
131.03333	1.5
133.02837	2.8
135.04375	1.8
136.01527	1.0
137.02347	0.9
138.03064	1.3
142.99734	3.6
143.04494	3.6
147.04330	1.1
149.02321	22.6
150.03108	90.3
151.00240	1.4
151.03886	6.1
153.05449	1.4
160.00516	1.1
161.02344	5.1
163.03874	3.1
164.04697	12.0
165.00006	1.3
165.05464	100.0
166.02597	6.2
166.05812	1.1
173.00803	9.3
173.02293	2.2
173.04485	0.9
174.01553	3.7
174.03023	1.6
175.03880	3.2
176.04665	5.5
177.01865	1.0
177.05423	1.7
178.06198	2.6
179.03421	5.1
179.07028	6.2
180.04230	9.2
181.04964	7.6
188.04773	1.4
189.05450	1.7
190.02586	2.6
191.03418	5.2
191.05437	2.0
191.07109	2.7
192.04286	0.9
192.07819	0.9
193.08626	3.3
194.05786	7.2
195.06548	38.1
201.01897	1.2
203.03487	2.6
203.65588	0.9
205.01387	1.5
205.04976	4.0
206.05751	5.4
207.06517	2.3
209.08098	7.0
218.05719	1.8
219.02916	3.1
219.06529	1.3
220.03606	1.1
221.08102	6.8
233.04353	1.1
234.05290	2.3
235.06163	1.1
246.01590	1.8
247.02472	4.2
247.06056	1.4
249.04018	2.2
249.07614	3.9
261.04041	5.6
262.04828	7.1
263.05621	1.0
264.06415	7.1
265.07111	4.6
266.08109	0.9
272.08737	1.5
276.06393	4.4
277.07166	14.5
291.08652	1.2
306.07657	5.1
307.07956	4.3
322.07202	1.1
324.95435	1.0
337.09293	29.8
356.12524	1.1
369.13553	8.8
404.14597	1.1
405.15353	1.2
413.12463	5.0
425.12238	1.5
443.13428	2.8
461.14609	28.9
473.14435	3.2
485.14197	2.8
491.15640	2.1
505.17477	1.0
521.16693	3.1
533.16663	8.8
579.17279	17.7
597.18274	98.2
598.18933	4.1
603.06549	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03292	1.0
59.01199	1.6
59.32265	0.4
65.71927	0.5
65.93135	0.6
68.99642	1.4
69.03289	0.8
71.01212	1.2
79.05364	0.7
81.03311	7.3
83.01233	2.6
84.97463	0.4
93.03288	1.6
95.01214	1.0
95.04897	5.4
97.02813	3.8
99.04370	4.6
101.02285	0.9
103.25343	0.5
107.04865	0.5
111.04348	0.7
113.02275	0.9
119.04122	0.8
119.04893	11.4
121.02792	1.4
121.06397	0.5
123.00710	0.6
123.04391	13.4
124.01511	0.6
125.02312	14.7
127.82819	0.5
135.04346	1.4
137.02278	2.9
137.05165	0.5
137.05949	6.2
138.03061	0.8
139.03847	1.8
147.04346	2.0
149.05913	0.6
150.03055	1.5
151.00221	1.2
151.03874	0.9
155.03333	0.9
163.07535	0.7
164.04616	0.5
165.01822	3.0
165.05457	10.2
166.02644	3.7
167.03398	30.2
168.03638	0.6
175.02423	0.6
177.01782	0.5
177.05482	0.9
178.02589	1.0
179.03404	4.7
180.04224	4.7
181.04938	0.7
187.07458	0.6
189.05490	1.3
191.03375	0.9
194.02104	0.6
197.04454	2.1
208.03714	2.6
209.04489	1.8
212.03087	0.8
229.08633	1.8
243.10181	0.5
250.70584	0.5
267.90564	0.5
271.09769	2.3
273.07785	2.6
313.07135	0.6
314.07919	1.1
315.08777	5.5
391.55151	0.6
391.65521	0.6
423.12888	0.6
435.12857	7.7
447.13116	2.2
468.62491	0.5
477.14023	100.0
478.14297	4.6
489.14307	1.0
507.15076	22.5
508.15259	1.1
519.15118	0.8
579.17365	2.6
597.18365	16.1
597.27399	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.9
59.01247	5.1
65.25781	0.8
67.70521	0.6
69.35387	0.7
70.90368	0.9
71.01235	4.9
72.99140	0.8
73.02792	3.2
74.76611	0.6
83.01240	1.0
85.02794	1.9
87.00732	11.5
89.02302	0.8
93.03323	2.1
95.01247	0.9
97.02738	1.1
97.39191	0.7
99.00740	3.4
100.01518	3.3
101.02309	2.4
109.02802	2.4
111.00755	8.0
112.69027	0.7
112.98666	3.1
113.02301	0.8
121.02794	3.1
122.03604	16.3
123.00722	3.7
123.04388	1.1
128.03372	1.8
133.02815	1.5
135.04370	1.8
136.01524	2.3
137.02266	1.8
142.99727	2.7
143.04501	1.9
144.04910	1.0
145.02821	1.3
146.03624	14.9
147.04488	1.2
149.02316	11.2
150.03117	76.8
151.00276	1.3
151.03944	5.3
154.02551	0.8
161.02319	3.0
161.05989	5.9
163.03854	3.1
164.04697	18.1
165.05472	100.0
166.02632	2.5
166.05791	1.2
173.00801	2.8
174.01605	3.0
174.03032	1.1
175.02437	0.8
175.03879	3.1
176.04640	7.2
177.01788	0.8
178.06297	1.8
179.03452	2.3
179.07048	40.3
179.61482	0.8
180.04195	10.3
181.05038	4.4
188.04758	0.8
190.02609	2.3
190.06325	1.4
191.03438	3.4
191.05441	1.3
191.07060	11.1
192.04262	1.9
193.05013	1.1
193.08638	1.6
194.05783	3.9
195.06561	54.2
203.03302	0.9
204.04254	0.9
205.04984	2.3
206.05775	2.2
207.06532	3.8
209.08157	3.6
219.02887	2.1
221.08188	3.1
231.02888	1.0
233.08334	1.0
234.05292	1.7
246.05377	0.9
247.02419	3.8
247.05852	0.9
249.04062	1.0
249.07761	1.7
261.04022	1.9
262.04877	6.4
264.06375	3.5
265.07275	3.8
266.07773	0.8
272.08844	1.3
276.06369	2.0
277.07233	12.4
295.07986	0.8
306.07602	1.1
327.12338	4.3
337.09351	22.2
345.13470	5.3
357.12250	2.5
360.12054	2.3
375.14505	44.9
376.13818	0.9
400.09906	1.1
413.12598	1.0
453.19995	1.0
461.14572	22.0
473.14383	1.8
475.12381	1.5
476.04462	1.0
491.15280	1.9
521.16608	2.1
533.16406	4.5
579.17303	11.6
597.18280	89.2
598.18488	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	597.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45162	0.6
58.22631	0.6
59.01222	0.5
63.37979	0.5
63.42756	0.8
66.71954	0.7
68.99680	0.6
69.46212	0.6
71.01239	0.6
81.03344	0.7
93.03306	1.4
95.04903	0.8
96.95869	1.7
105.03336	1.2
107.04876	0.9
108.02017	2.7
109.02802	3.4
113.02438	0.6
115.29629	0.6
117.03326	1.3
119.04865	0.8
120.02016	2.1
121.02837	3.2
122.03555	0.7
123.00783	2.9
123.04382	2.2
124.01523	5.5
125.02352	3.3
132.02028	2.6
133.02802	3.2
135.04419	2.5
136.01526	2.0
137.02283	5.4
138.03119	3.4
139.00182	2.9
139.03894	6.3
145.02840	1.7
146.03589	1.0
147.04375	1.4
148.01566	6.0
149.02338	8.6
149.56531	0.6
150.03113	7.6
151.00291	2.9
151.02676	0.7
151.03894	20.2
152.01045	28.0
152.04709	0.9
153.01820	2.2
153.05449	1.9
154.02631	0.9
159.00787	1.5
159.04353	0.7
160.01543	8.1
161.02344	20.0
162.03116	14.5
163.03912	7.6
164.04678	6.8
165.01788	1.3
165.05450	5.1
166.02602	5.6
167.03400	30.7
173.02417	1.0
173.06033	0.7
174.03043	0.8
175.00269	1.3
175.03897	4.5
176.01068	24.7
176.04686	12.8
176.06108	1.1
177.01863	10.6
177.05444	5.5
178.02638	11.2
179.03410	39.7
179.06970	6.6
180.04187	29.1
181.04910	2.3
189.05574	1.1
190.02618	5.0
191.03426	18.4
191.05243	1.2
191.07054	5.8
192.04185	6.2
193.04977	15.1
194.02159	3.7
194.05775	28.9
195.02835	1.1
195.06554	36.7
202.02573	0.8
203.03467	1.7
205.04994	5.1
206.05701	1.3
207.06586	2.9
209.04622	9.1
209.08133	45.7
209.16148	0.7
217.05023	1.6
219.06548	0.9
220.03763	0.8
235.06059	0.9
256.14584	0.7
267.06635	0.8
283.06070	0.7
301.07123	0.8
315.43912	0.7
328.09470	0.8
339.08966	0.8
342.07373	1.3
357.09857	8.1
359.11465	1.2
369.09732	1.1
372.08347	1.1
373.09015	1.1
373.13058	2.6
374.09595	1.0
385.13046	2.2
387.10886	100.0
388.11469	4.7
403.14087	12.1
404.14044	0.8
417.12061	2.7
567.18439	1.1
579.19025	2.2
597.20050	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92931	0.6
61.98688	1.3
82.51378	0.7
88.98657	1.8
96.95889	2.1
100.05195	0.7
109.02835	3.3
109.22284	0.8
121.02821	1.4
123.04425	0.8
123.35289	0.8
124.01482	1.5
125.02290	2.0
135.04385	1.6
137.02335	4.1
138.03102	1.7
139.03889	1.5
144.96046	1.7
145.02853	0.9
150.03120	12.2
151.00278	2.5
151.03917	5.4
152.01006	2.6
153.01817	3.4
161.02345	1.8
162.03133	21.0
163.03925	3.3
165.05461	8.7
166.02618	9.4
167.03387	3.4
175.03894	1.8
176.01010	1.2
177.01842	1.1
177.05487	2.8
178.02643	1.6
179.03384	6.3
180.04201	52.5
180.07834	2.0
181.04985	9.5
188.95085	4.2
191.03485	1.3
193.05002	2.7
195.06561	100.0
207.06595	0.9
209.08142	1.6
223.09737	3.7
227.03354	1.0
237.05801	0.8
253.05052	0.9
278.82584	0.8
311.05743	1.8
367.13599	1.1
387.10596	1.9
388.11847	4.8
399.08493	1.2
403.14038	21.2
443.08051	1.8
459.14508	1.9
462.17084	1.3
471.14114	1.2
477.19287	1.7
489.19260	2.9
507.20322	2.1
519.20282	3.3
600.80756	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48568	0.7
59.01241	11.6
62.63017	1.4
64.59348	0.7
69.35101	0.9
71.01250	4.8
73.02802	3.5
83.92882	0.8
85.02789	2.6
87.00727	8.1
87.02642	0.8
93.03296	2.2
96.95893	1.0
99.00732	3.0
100.01504	1.5
101.02280	1.4
109.02798	1.4
111.00739	7.8
112.98651	2.1
113.02283	1.5
119.45409	1.1
121.02833	4.8
122.03606	30.4
122.04502	1.6
123.00726	3.1
123.04385	1.9
124.01488	1.7
127.03862	1.5
128.03410	1.2
133.02797	1.3
135.04382	2.6
136.01540	3.1
137.02296	2.1
137.05952	1.1
142.99763	1.8
145.02771	2.0
145.05000	0.9
146.02449	2.0
146.03615	40.8
147.04340	3.1
149.02325	11.1
150.03111	59.3
151.03888	4.7
153.01880	1.0
154.02544	1.9
158.93028	0.9
159.36465	0.9
159.62392	0.7
161.02301	3.1
161.04570	1.1
161.05963	14.7
162.03180	1.7
163.03909	3.0
164.04688	37.2
165.05472	72.6
166.02588	2.4
166.05908	1.4
173.00810	3.5
174.01604	2.4
175.02588	1.4
175.03860	6.9
176.04666	12.9
177.05241	1.1
178.06252	1.4
179.03470	3.8
179.07045	99.6
179.53381	1.0
180.04192	13.7
180.07387	2.3
181.04929	3.5
190.06235	3.8
191.03508	2.6
191.07056	26.9
192.04156	3.8
193.08588	1.4
194.05800	4.5
195.06554	66.1
203.03514	1.6
205.05002	2.0
206.05782	1.9
207.06569	7.5
209.08142	2.9
213.16670	1.1
213.63428	0.9
219.02914	0.9
221.08220	2.5
234.05103	1.3
247.02466	1.6
261.03952	1.5
262.04794	4.7
264.06418	2.1
265.07156	4.1
266.08185	0.9
276.06567	2.5
277.07104	7.1
289.25842	0.9
297.11145	1.0
327.12433	5.6
337.09348	17.1
345.13446	11.9
346.13828	1.0
357.11929	6.2
359.73911	0.9
360.12134	4.2
375.14502	100.0
376.15045	5.6
446.92624	0.9
461.14594	13.2
473.14642	1.5
475.11816	1.1
491.15366	1.0
493.57825	1.0
521.16711	1.4
533.16669	1.4
579.17297	6.3
597.18280	52.8
598.18390	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	597.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41526	0.3
56.87400	0.4
57.03312	0.8
59.00063	0.4
59.01244	19.1
63.79240	0.3
66.69759	0.4
71.01240	9.9
72.99158	0.4
74.47385	0.8
74.47755	0.4
81.03320	1.2
83.01231	1.5
85.02818	1.8
87.00740	0.7
87.72372	0.3
89.01758	0.7
89.02299	11.8
93.03311	1.1
95.01263	0.9
95.04887	1.8
96.95853	0.4
97.02811	2.4
99.04415	0.4
99.08030	0.9
101.02305	9.6
108.02029	0.4
109.02812	10.8
113.02312	5.0
119.03362	4.9
121.02824	1.3
122.03610	0.5
123.04394	7.1
125.02301	7.1
127.07518	5.9
133.02844	0.4
135.04393	1.4
137.02319	5.4
138.03127	0.5
139.03920	1.9
145.02811	0.6
145.08591	6.0
146.03636	0.7
147.04292	0.5
149.02324	1.5
150.03069	0.7
151.03909	4.8
159.04370	1.2
160.05209	0.6
161.02425	0.5
161.05983	2.4
163.03889	1.0
164.01057	1.7
165.01819	2.4
165.05495	1.9
165.06660	0.5
167.03384	1.4
173.05998	0.4
174.03149	0.5
175.03918	1.1
175.07504	0.9
177.05478	0.4
179.03409	3.3
179.07033	0.5
185.06012	0.7
187.03928	2.1
187.05902	0.5
188.04773	2.5
202.06282	1.3
203.07066	5.7
205.04999	3.9
209.51001	0.4
212.04828	0.6
217.08652	0.5
221.08199	2.1
227.07164	0.9
245.08183	7.9
271.06168	0.7
289.07211	40.8
290.07541	1.0
307.00085	0.9
307.14008	100.0
308.14465	2.0
375.14526	1.4
477.98056	0.4
511.56900	0.4
555.36230	0.5
597.27917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44599	0.5
54.59443	0.4
55.37644	0.6
59.01240	5.7
62.63025	1.4
71.01246	1.3
96.95893	0.8
99.00706	0.6
104.93079	0.6
108.02026	0.8
109.02830	0.6
121.02818	4.3
122.02761	1.1
122.03603	13.8
135.04384	1.0
136.01501	0.9
137.02313	0.8
146.03613	40.5
146.08261	0.6
147.04395	1.2
149.02264	0.7
150.03099	2.4
154.02554	0.8
161.04559	1.0
161.05963	14.9
163.03900	0.9
164.04692	28.7
165.05479	5.1
175.02448	0.9
175.03850	6.0
176.04691	15.4
179.07043	100.0
180.04190	21.2
180.07378	1.2
189.07626	1.1
190.06293	2.5
191.07054	31.1
192.04134	1.0
195.06551	46.0
204.04596	0.6
207.06598	2.4
250.34019	0.7
276.02570	0.7
327.12448	5.9
345.13449	14.9
360.12051	2.1
375.14499	74.8
376.14832	2.8
558.26392	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73601	0.6
55.37639	0.6
58.00455	0.8
59.01245	7.1
61.98726	0.6
62.63031	1.5
62.63312	0.8
67.94143	0.7
69.00283	0.6
71.01225	1.1
72.46642	0.7
75.71175	0.6
85.02773	0.7
91.72779	1.0
95.02019	0.7
108.02035	0.9
109.02870	0.8
121.02838	4.5
122.03613	16.4
123.04379	1.2
125.50484	0.7
135.04407	0.9
136.01559	1.2
137.02336	1.6
145.02838	1.3
146.03622	44.7
147.04314	2.6
149.05910	1.3
150.03088	1.7
154.02603	1.9
158.75365	0.7
161.05971	16.3
161.07182	1.3
163.03926	2.1
164.04689	32.6
165.05432	4.6
175.03914	6.1
176.04703	16.6
176.14520	0.7
177.05469	0.7
179.07048	100.0
180.04207	15.0
180.07373	2.2
190.06223	2.1
191.07063	29.8
192.04247	1.7
192.07498	0.8
194.05785	0.8
195.06557	47.1
196.06923	1.7
207.06566	6.6
208.07152	0.8
275.97763	0.7
327.12473	7.5
345.13513	14.1
357.11990	3.0
360.12137	3.7
375.14514	89.3
376.14850	4.2
414.29196	0.8
510.74588	0.9
597.18549	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46991	0.9
59.01239	15.4
61.98686	2.4
69.31432	0.9
70.42777	0.9
81.41014	1.0
82.49588	0.9
84.95033	1.0
93.03324	3.0
95.90165	1.0
96.95856	2.2
101.61570	1.0
108.02015	1.6
109.02808	1.7
112.64837	0.9
121.02850	6.6
122.03587	11.0
125.02290	1.4
133.02901	1.6
134.03658	2.0
134.33751	1.0
135.04344	4.8
136.01534	2.7
149.02350	21.8
150.03110	89.6
151.03871	1.9
159.04375	1.7
164.04703	2.8
165.05469	100.0
165.10899	1.7
166.05858	1.4
175.03987	1.3
175.07487	2.0
177.01825	1.3
179.07101	1.6
180.04196	7.6
189.05490	4.3
190.06227	3.0
195.06557	62.6
196.06850	1.2
204.07837	1.1
205.08698	2.4
223.59531	1.0
234.40434	1.0
238.26366	1.1
283.02460	1.1
287.02008	1.3
310.08945	1.1
326.11612	1.6
332.88187	1.2
341.13934	9.4
357.13495	2.3
397.36322	1.3
401.16132	9.6
403.11710	1.9
405.81174	1.1
445.05295	1.6
459.18173	1.7
489.19220	9.4
490.89508	1.1
549.21210	10.2
598.22327	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38370	0.6
52.95889	0.5
53.55726	0.5
54.19460	0.5
56.58667	0.5
56.67764	0.6
59.00088	1.1
59.01244	62.0
59.02536	1.0
60.01551	0.5
62.14248	0.8
64.70969	0.9
66.04426	0.8
68.49027	0.6
68.85951	0.6
71.94419	0.6
73.72968	0.6
76.58865	0.5
77.91312	0.6
78.63332	0.7
84.02065	0.6
93.03327	3.6
95.04874	0.9
96.95877	1.1
107.04948	0.6
108.02022	3.2
109.02827	3.9
121.02831	13.4
122.03616	13.2
123.04379	4.2
129.47154	0.6
131.04901	0.9
132.02065	3.1
133.02838	8.8
134.03619	10.4
135.04385	4.1
135.79037	0.6
136.01558	6.2
136.05162	0.7
137.02370	1.0
143.04860	0.9
145.02821	1.9
146.03622	3.1
147.04407	4.8
149.02336	54.0
149.05978	8.8
150.03117	100.0
151.03932	6.8
158.03598	1.1
159.04437	7.2
160.05173	5.5
161.02420	0.7
161.05972	5.0
162.03136	2.8
163.03835	1.2
164.04697	12.4
165.05476	82.9
166.05823	1.3
171.04420	2.8
172.05173	3.0
173.05975	3.9
174.03200	0.8
175.03926	0.8
175.07556	4.2
177.05473	3.1
178.02597	0.7
178.06197	1.2
179.03439	0.9
179.07008	0.7
180.04179	5.7
186.06779	0.9
187.03935	2.1
188.04723	2.7
189.05504	12.2
190.06262	7.7
191.07112	1.7
192.07874	0.9
195.06555	35.6
202.02672	0.9
203.07190	3.3
204.07826	6.9
205.08620	7.1
221.77831	0.7
237.05672	1.5
242.02208	1.4
243.02948	1.5
244.59241	0.7
249.09155	0.7
253.04984	0.8
266.05612	0.7
269.08124	1.0
270.08978	1.6
277.08612	0.7
279.06866	0.8
279.10214	1.9
281.04590	1.1
282.09097	0.8
287.02078	5.7
290.02112	1.9
295.09793	1.3
296.10455	2.5
297.11386	1.6
309.04004	1.7
311.12839	2.7
312.09857	0.8
326.11646	5.6
327.12436	3.8
329.13907	1.9
334.41403	0.7
338.11713	1.1
339.12247	1.1
341.13922	20.3
353.13937	1.2
383.50702	0.9
387.14432	2.4
399.04642	1.1
401.16104	18.1
415.04572	0.9
416.05435	1.0
416.15976	0.8
417.05771	1.0
429.13507	1.9
443.04361	1.6
443.15240	1.7
444.04865	6.9
444.15762	2.8
445.05597	6.9
447.18341	0.8
459.18216	9.2
477.19183	5.3
489.19232	66.3
490.19543	2.1
500.42822	0.7
501.18832	1.3
507.19873	1.7
519.20197	2.0
525.21466	0.8
536.59100	0.9
537.21124	1.9
549.21368	76.1
550.21759	3.9
614.56561	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	5.7
61.98698	28.2
62.47794	3.6
78.91745	16.3
80.23045	4.0
82.95255	8.1
94.48790	3.6
96.95835	5.5
109.02836	4.4
127.53749	4.5
143.02847	4.2
217.12376	7.0
231.10222	8.6
233.11813	10.2
243.10245	8.4
259.09763	9.9
260.10538	100.0
261.11227	46.7
262.11606	10.1
265.05258	6.0
279.12457	7.2
297.13455	9.8
402.91776	5.2
552.01129	5.4
597.23438	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	597.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67537	0.9
61.98684	0.9
67.44648	1.3
67.44971	1.1
75.00729	1.6
78.95760	58.3
80.91541	2.2
84.94978	2.0
87.00731	1.8
91.73341	2.1
96.96810	10.1
127.41413	1.0
138.81635	1.0
150.97844	1.4
151.88530	1.0
152.99474	92.4
171.00545	3.7
194.93948	1.3
202.57956	1.0
223.00099	10.2
241.01170	25.1
259.02185	1.6
259.09720	1.5
279.23297	1.3
281.24866	73.2
282.25089	1.2
315.04852	13.1
333.05966	2.0
597.30499	100.0
598.30469	2.9
618.58624	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3051
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
50.67522	0.9
61.98687	1.3
64.45112	0.5
67.44653	1.3
67.44990	1.1
74.27443	0.6
78.95758	49.1
78.97590	0.7
80.91625	0.4
81.19940	0.6
82.95266	2.0
84.44415	0.5
88.98649	1.6
96.96821	9.5
98.91602	0.8
98.92171	1.0
136.29474	0.6
150.97914	1.5
152.99474	86.3
153.99831	0.9
171.00546	1.9
194.93881	0.9
205.28551	0.6
223.00102	9.8
227.84843	0.7
230.12704	0.6
240.98743	1.2
241.01158	23.4
253.85184	0.8
275.43225	0.7
281.24860	70.9
282.25162	2.6
301.56317	0.6
314.76294	0.6
315.04868	13.6
333.05930	1.1
597.30505	100.0
598.30890	4.0
627.17523	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88559	1.4
52.91969	1.7
54.10148	1.9
58.45248	1.6
59.01241	93.9
69.09658	1.9
78.71838	2.5
80.36223	1.8
82.88725	2.5
84.59908	2.1
85.44615	2.0
90.62968	1.8
96.32043	1.9
155.60657	2.5
213.63753	2.0
219.36543	2.4
249.18614	3.1
267.19632	80.3
268.19861	2.2
269.21210	65.4
285.20709	33.6
287.22314	35.8
299.22787	2.2
314.38382	2.5
318.29623	2.3
327.21878	14.7
329.23276	11.8
537.41565	35.4
538.42224	3.5
555.42706	13.9
565.28082	2.5
597.43756	100.0
598.44531	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	598.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41783	0.9
58.02600	1.1
58.02843	11.7
59.01232	5.2
59.85050	1.0
61.98682	3.5
66.03326	1.1
70.72794	1.0
71.01253	1.7
72.97375	3.3
74.00560	1.3
74.02329	23.0
81.04428	1.1
82.02853	2.3
86.02345	11.4
86.05953	2.9
87.05477	4.9
88.03866	1.4
96.95851	3.9
97.03925	4.3
99.05505	26.3
100.00245	2.0
101.02272	1.9
101.07055	4.2
102.05470	5.1
106.76824	1.1
107.05993	1.4
109.03950	2.6
109.07578	1.9
111.05496	2.8
112.03881	3.9
113.04194	1.3
118.89413	1.1
123.05501	2.9
125.03428	3.9
127.04987	3.7
128.03410	72.3
135.05525	8.6
141.06580	3.2
143.04506	99.1
143.08952	1.4
145.06035	3.3
146.04494	10.4
153.06586	4.3
155.08113	1.7
156.27118	1.3
165.12759	1.4
166.09720	4.3
167.04535	3.3
167.08134	5.4
169.06068	1.6
170.03220	2.4
171.04047	1.6
179.04541	21.7
181.06059	3.3
185.05550	2.8
192.07684	3.5
197.05630	3.0
198.47409	1.5
210.08786	23.1
210.10643	2.3
223.13193	1.4
228.09785	3.0
236.06718	1.4
239.07005	1.2
254.07806	54.1
255.04994	1.1
256.11411	2.8
272.08911	100.0
291.19595	3.8
306.07959	1.6
307.22873	2.3
325.18295	6.4
468.43427	1.3
469.23676	3.2
555.28119	7.4
580.27057	5.7
598.28088	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03245	0.5
59.01150	1.6
59.01451	0.8
60.99091	0.8
63.28572	0.4
63.28849	0.4
65.03771	0.5
67.01644	3.1
67.02032	0.8
69.03235	0.9
71.01134	3.2
73.02708	0.7
75.09519	0.3
81.03223	0.6
83.01155	1.1
83.04781	0.7
85.02691	1.7
85.03143	0.4
87.00615	3.0
93.03197	20.6
93.03842	1.7
93.05242	0.4
93.32390	0.4
93.32915	0.8
96.95749	10.1
96.96417	0.5
98.95349	1.0
99.00657	0.6
100.85195	0.5
101.02216	1.2
109.02689	1.6
111.00747	2.5
111.04247	3.1
113.02216	1.0
123.00750	2.2
124.01541	9.6
125.02308	5.9
127.00091	1.7
129.01726	0.5
135.04337	0.5
136.98688	2.0
137.02318	2.9
138.03087	3.1
139.00261	7.5
139.03879	7.7
140.01036	5.8
141.01613	0.4
145.02695	1.3
147.04236	1.6
149.02199	1.3
150.03152	2.8
151.00142	0.7
151.03757	1.6
151.65797	0.4
152.01041	5.4
153.01718	1.9
154.02487	1.1
154.88486	0.4
155.03252	1.6
159.04295	0.6
160.01518	0.7
161.02321	2.1
162.03108	6.2
163.03911	4.1
164.00977	0.7
164.04567	1.3
165.01727	0.7
165.05304	1.5
166.02493	1.7
167.03432	3.9
173.04457	30.6
174.03009	1.1
175.03786	1.6
176.00897	1.3
176.04601	0.6
177.01817	5.2
177.05469	2.7
178.02621	8.2
178.06076	1.6
179.03391	8.1
179.06824	0.4
180.04181	6.9
181.04863	0.5
189.01868	2.2
189.05370	0.6
189.32837	0.4
190.02652	3.9
191.03282	7.8
191.05351	1.5
191.06981	0.9
192.04176	3.8
193.01317	0.8
193.04993	8.5
195.06570	3.6
195.27876	0.4
199.86678	0.4
202.02496	0.6
203.03253	1.5
204.04201	2.6
205.01251	0.5
205.05013	8.4
206.05569	0.9
207.06557	2.3
208.03757	0.7
209.04341	1.5
210.01472	0.6
219.02841	0.5
220.03668	0.5
221.04420	1.5
223.05984	0.7
225.03857	1.5
233.04498	0.5
235.05978	0.9
236.03227	0.5
237.07549	0.5
263.12775	1.2
265.05023	0.4
279.03061	0.5
281.04556	0.5
298.04755	0.5
309.03952	0.5
315.04990	1.3
329.06619	1.0
330.07468	4.9
342.07379	1.1
343.08069	0.7
344.08847	1.2
345.09821	32.1
346.09985	1.1
357.09729	1.3
359.07755	0.8
373.09216	5.6
375.10916	4.0
382.70813	0.4
388.07840	0.5
390.09555	4.3
403.10361	19.5
404.11151	11.4
404.15472	0.3
405.11920	100.0
406.12201	3.2
425.18246	6.8
581.17328	1.6
599.23840	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	599.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66447	0.3
58.02837	0.4
59.01237	2.3
59.51356	0.4
66.21079	0.3
71.01231	1.0
73.02808	0.4
83.04910	0.5
85.02800	7.6
87.00727	1.3
93.03316	2.3
94.43535	0.4
96.95863	1.2
99.04357	0.4
101.02339	0.5
109.02786	0.8
109.51498	0.4
111.04370	1.4
115.79913	0.4
125.83064	0.5
127.03869	1.5
128.03351	0.5
137.02388	0.5
143.04443	0.4
147.58278	0.3
148.03902	0.6
171.02878	0.6
173.04431	1.1
191.05540	100.0
191.12216	1.0
192.05894	2.0
245.15436	0.6
251.12193	0.5
268.56934	0.5
306.07776	0.8
344.10507	0.6
345.11179	0.8
351.14542	0.7
359.12744	0.8
360.13516	2.6
374.15195	1.2
380.61563	0.4
388.16718	1.3
407.13583	0.5
409.31271	0.5
432.15778	3.2
433.16031	0.5
599.24481	7.7
622.17371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86383	0.9
57.03321	1.6
57.52475	0.9
58.00465	0.9
59.01250	6.5
71.01241	11.6
73.02814	5.1
75.00719	1.6
79.95599	3.1
80.96379	2.1
83.01248	3.4
85.02807	11.3
85.99946	1.2
87.00731	2.4
88.67188	0.9
89.02326	1.3
93.03313	3.4
95.01229	1.5
96.93327	1.5
96.95869	100.0
96.98146	1.5
99.00726	2.3
99.48836	0.9
101.02299	13.4
109.02812	5.2
111.00721	1.3
111.04378	4.2
113.02287	6.4
117.77480	1.2
125.02307	1.3
128.85948	1.0
129.01770	1.5
133.86461	0.9
147.08115	1.8
150.03133	1.0
153.01874	2.0
155.03416	3.9
159.02908	1.3
161.04456	1.4
164.04776	1.1
165.64226	1.1
166.96445	1.6
173.04459	15.0
191.06923	1.4
193.05002	2.6
195.06505	2.4
211.04010	2.2
241.00215	67.0
263.12943	10.3
267.06723	2.2
279.06546	2.4
283.02579	1.9
291.06744	1.7
298.04865	5.8
313.06949	2.3
385.11298	1.5
401.10452	1.8
425.18213	57.9
426.18588	1.8
475.12238	1.5
599.07355	32.0
599.23401	32.5
600.07715	3.2
600.23828	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	599.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75014	2.9
57.03316	4.5
59.01243	44.2
61.98698	4.3
69.03296	5.3
70.93871	3.3
71.01241	16.7
72.99115	3.7
73.02798	17.6
83.01266	6.5
85.02800	17.1
87.00720	5.4
89.02301	11.5
93.03284	4.0
94.64384	3.5
96.95877	28.7
97.90915	3.0
101.02320	29.0
101.22053	3.2
103.03844	5.4
107.79639	3.2
113.02306	6.5
115.03829	6.7
119.03369	6.4
131.03444	4.5
146.08253	3.5
163.06029	49.4
163.11131	4.8
165.05536	3.7
173.04552	6.9
191.05537	100.0
200.04404	3.4
205.07137	10.1
205.12326	7.7
207.37737	3.5
209.11932	3.4
219.06352	4.2
265.09290	5.1
267.11273	5.0
283.15442	4.8
325.11099	4.0
333.24411	18.8
393.26474	13.4
437.25424	14.1
477.28699	12.2
495.29675	14.8
509.21970	5.2
537.30438	9.2
555.27924	7.4
562.35022	4.0
563.30524	10.4
581.29755	20.0
599.23871	96.8
617.19330	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	599.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87011	0.6
59.01234	0.8
60.50657	0.6
65.99715	0.8
66.03347	0.7
70.14767	0.6
73.05315	0.6
79.28779	0.7
81.85715	0.6
84.96549	0.6
87.29148	0.7
94.02843	0.6
108.04418	1.0
117.03316	1.2
119.04849	0.8
120.04414	1.8
121.05201	2.2
121.55801	0.7
122.05988	2.0
123.90379	0.7
126.68548	0.6
134.05975	5.0
136.07541	1.1
145.02817	5.8
146.06035	0.8
148.03926	8.4
148.07561	0.6
149.69353	0.6
150.05507	2.7
150.09065	1.0
158.05942	0.7
160.03970	1.2
161.04729	1.7
162.05492	1.2
163.03906	1.2
164.03429	1.0
170.05974	0.8
173.03447	1.8
174.04250	2.1
174.05600	1.0
186.05524	1.1
188.07051	1.1
190.08629	0.8
191.05576	1.2
195.09221	0.9
199.05020	0.9
199.08774	1.6
200.07098	4.4
201.07903	1.8
202.05014	0.7
202.08575	0.8
203.08202	1.0
207.09247	2.1
208.35585	0.7
209.07085	0.8
210.07849	0.8
211.04915	0.9
212.05830	2.5
213.06606	4.1
213.10289	2.2
215.08153	3.7
216.08829	1.1
222.08008	1.0
223.08731	6.0
224.09419	1.2
225.06551	3.3
225.10071	1.0
226.03920	0.8
226.07278	3.3
227.04552	0.9
227.08185	8.3
228.06789	1.1
228.08810	1.4
237.10332	2.1
238.07426	1.0
239.04564	1.4
239.08319	1.5
239.12003	0.7
240.05400	3.1
240.08858	1.4
241.06186	8.1
241.09789	10.0
242.06923	17.4
242.10646	1.1
243.07716	5.2
243.11340	2.3
244.06151	0.9
249.10251	0.7
250.07547	3.4
251.08237	13.7
252.09004	4.6
253.06177	4.6
253.09811	4.4
254.06993	12.5
255.07738	38.5
255.11317	2.4
256.08490	10.3
256.12048	1.1
257.09302	4.5
263.08218	1.3
264.09058	6.4
265.09824	24.6
265.12851	1.3
266.10605	68.8
267.07788	5.4
267.11325	11.6
268.08505	10.6
269.09323	65.3
270.10092	29.4
271.10773	2.9
280.08734	0.9
281.09378	2.0
282.10147	2.9
283.10880	9.1
284.11670	34.2
285.12384	7.5
296.07886	0.9
298.09592	1.1
299.14023	2.2
300.11465	1.5
301.12057	3.5
302.13022	2.9
313.08386	0.9
314.09109	23.2
315.09875	6.9
315.13766	2.2
316.14441	1.7
327.09897	6.1
328.10730	6.2
329.11465	8.4
330.12433	3.2
333.12128	0.9
342.08752	1.6
343.09625	3.9
343.13913	2.6
344.10400	1.7
344.14017	4.9
346.12042	0.9
346.15915	0.9
347.09048	0.9
356.10565	1.4
357.11157	5.8
358.11780	3.9
359.12839	1.1
360.09824	1.4
361.10724	4.9
362.11444	5.2
362.15274	1.6
370.11780	0.8
371.12833	2.0
372.13562	38.2
373.13873	1.2
376.12943	8.9
377.13797	3.2
386.15121	15.3
387.15903	44.7
388.16534	7.6
390.14493	4.2
391.14563	0.9
404.15970	1.4
405.16916	10.3
406.17566	1.4
410.17310	1.1
416.19766	2.4
418.18207	0.9
419.19180	3.2
432.15482	2.3
434.13687	5.6
434.20908	2.0
448.15164	2.9
449.15952	43.1
450.16559	5.1
463.17645	0.9
464.18234	6.1
470.27319	0.7
478.19849	100.0
479.19977	4.2
527.22803	1.0
537.25110	1.6
552.33148	0.8
555.26349	1.7
563.25006	3.6
581.23645	1.1
599.25146	60.0
600.25696	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	599.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01734	0.8
57.03308	0.9
59.01243	22.7
59.02439	0.5
61.98679	1.1
66.10396	0.3
66.40610	0.3
67.01759	0.3
68.99687	0.4
69.03300	0.4
71.01241	6.1
72.99162	0.7
73.02813	3.2
74.02322	0.7
75.00692	0.3
78.15198	0.3
82.95255	0.3
83.01241	2.5
85.02811	4.3
85.99943	0.7
87.00731	1.2
89.02284	0.7
95.01245	0.9
96.95868	1.8
99.00729	1.4
99.05529	0.6
100.47358	0.3
101.02300	6.0
101.03402	0.7
111.00727	1.4
113.02338	1.8
125.02309	0.5
128.03435	1.8
129.01804	0.3
129.90274	0.6
143.03525	0.4
143.04512	2.1
145.02875	0.5
159.02797	0.5
163.11151	1.2
175.59294	0.3
179.04596	0.5
189.41345	0.4
191.05544	2.1
191.10695	2.1
202.44717	0.3
207.98724	0.4
210.08809	0.4
254.07780	0.7
255.07921	0.5
266.10684	0.3
272.08807	1.9
273.09180	0.9
285.18707	0.5
288.22552	0.6
289.21750	1.4
305.21188	5.5
307.22803	32.3
308.23184	1.0
316.86957	0.3
319.22958	1.5
451.27200	0.7
469.28073	6.4
478.19785	0.4
495.25882	1.0
507.95404	0.4
513.20032	0.5
513.27118	5.8
537.26550	0.4
555.28125	100.0
556.28497	4.5
581.26575	0.5
599.29102	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12485	0.3
59.01241	13.4
68.99426	0.5
71.01245	2.0
73.02808	0.7
78.95753	2.5
83.04875	0.6
85.02829	0.4
89.02296	2.6
91.72739	0.7
101.02297	2.6
112.98416	1.4
113.02316	1.2
119.03342	0.8
119.04897	0.6
126.58900	0.3
145.02817	1.1
152.99478	1.7
161.04404	1.1
164.83514	0.7
171.00497	0.5
179.05525	0.5
234.41536	0.4
235.08138	0.6
253.09293	11.9
259.24240	1.3
278.66434	0.4
281.24835	0.7
282.25070	0.5
283.25421	0.7
303.23303	100.0
304.23639	3.0
317.76947	0.4
415.24936	1.7
599.31451	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	15.7
63.10664	0.4
63.70766	0.4
71.01250	2.5
73.02788	0.9
75.72441	0.4
78.95747	1.5
85.02798	0.7
89.02285	2.1
101.02299	3.4
113.02312	1.3
115.22744	0.4
119.03352	0.9
119.04904	0.9
145.02844	1.3
145.69785	0.5
152.99500	2.2
161.04413	0.5
164.83498	1.0
179.05553	0.5
191.05606	0.7
235.08212	0.6
252.99695	0.5
253.09282	12.4
259.24353	1.4
282.25171	0.6
285.22391	0.5
303.23297	100.0
304.23621	3.3
362.50302	0.5
415.24979	1.9
599.30786	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36121	1.0
51.38136	0.9
59.01242	59.9
59.02429	1.3
66.46431	1.0
78.95770	1.9
96.51121	1.7
96.51679	1.1
101.01814	1.1
105.73818	1.0
125.31039	1.0
139.94585	1.2
152.99445	3.1
158.35986	1.1
159.10083	1.4
163.94409	1.2
168.95435	1.1
171.57956	1.1
187.91786	1.1
191.05539	1.3
203.90083	1.1
254.98196	1.4
267.28000	1.3
269.21231	93.0
270.21573	2.8
287.22299	45.6
329.23373	17.1
405.12070	1.3
449.77676	1.3
504.76105	1.2
539.43170	16.7
557.44006	6.5
599.45331	100.0
600.45612	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	600.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23904	0.7
56.70043	0.8
58.00455	2.3
62.70818	0.8
66.05993	1.0
72.99170	18.2
75.53324	1.1
85.14143	1.0
87.00723	1.3
93.03326	3.6
96.95854	1.4
99.00736	1.5
100.98448	0.9
107.04875	8.3
108.02033	0.9
119.04873	1.1
121.02837	1.8
125.02317	1.9
131.04932	1.3
133.02808	4.3
135.04427	1.6
139.03879	1.8
147.04453	2.2
149.05946	4.3
165.05472	49.0
175.03889	1.1
177.01906	1.2
179.03387	12.4
193.04955	9.0
209.04449	1.1
255.05104	100.0
256.05609	1.7
278.96872	1.1
345.08304	2.6
433.10965	1.0
489.12350	1.1
549.26013	1.1
577.82758	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.7
59.77142	0.2
60.01551	0.1
61.97334	1.5
61.98690	100.0
61.99864	1.5
77.94328	0.1
91.91938	0.2
95.96996	0.2
106.24879	0.2
118.32468	0.2
122.03601	1.4
123.03966	0.6
124.04188	0.2
125.02335	0.2
146.03633	2.2
147.03935	1.4
148.04207	0.4
161.05968	0.9
162.06320	0.7
164.04684	1.5
165.05064	0.8
166.05241	0.4
175.03940	0.3
176.04657	0.7
177.05064	0.4
178.05270	0.3
179.07042	4.6
180.04121	0.4
180.07394	3.1
181.04585	0.3
181.07635	1.3
182.04709	0.3
182.07883	0.2
191.07066	1.3
192.07370	1.0
193.07697	0.3
195.06532	1.7
196.06911	1.1
197.07083	0.5
206.86789	0.2
207.06598	0.2
208.06984	0.3
345.13577	0.4
346.13632	0.3
347.14142	0.4
362.12479	0.2
375.14569	1.9
376.14816	2.9
377.15082	3.9
378.15353	2.0
451.99310	0.2
566.74915	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	600.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31596	0.1
59.01242	0.2
60.55655	0.1
61.97429	1.8
61.98693	100.0
62.00150	0.9
68.29835	0.1
76.93488	0.1
122.03617	0.5
146.03596	1.2
147.03947	0.8
148.04274	0.2
161.06006	0.5
162.06390	0.2
164.04697	1.0
165.05153	0.6
166.05258	0.1
167.83958	0.1
176.04721	0.5
177.05148	0.4
179.07051	3.0
180.04239	0.6
180.07376	1.7
181.04535	0.3
181.07559	1.0
182.07977	0.2
191.07056	1.0
192.07437	0.5
193.07710	0.2
195.06577	1.1
196.06908	0.8
197.07190	0.5
207.06725	0.2
329.13382	0.2
346.13641	0.2
346.59894	0.2
347.14011	0.2
368.02643	0.1
375.14496	0.7
376.14896	1.6
377.15152	1.6
378.15399	0.9
378.95654	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	600.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29802	0.1
57.03328	0.2
58.96392	0.1
61.97417	1.8
61.98693	100.0
62.00121	1.1
66.62877	0.2
96.95872	1.1
109.02842	0.4
125.02314	1.5
135.22690	0.2
137.02415	0.3
139.03891	0.2
149.02415	0.2
161.06003	0.3
167.03397	0.8
177.01871	0.8
203.07227	0.2
241.00238	0.3
243.03053	0.3
245.08118	0.2
289.07224	0.3
330.03052	0.2
375.14404	0.3
376.14954	0.3
377.15207	0.2
378.15390	0.2
601.10071	1.0
629.34753	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	600.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01219	0.4
59.07776	0.4
65.18759	0.3
69.58051	0.4
78.95763	1.2
80.04918	0.5
82.06488	0.9
94.06441	0.4
96.95862	0.7
112.07536	1.2
114.09052	0.5
125.87211	1.2
129.10208	13.3
130.08600	1.1
139.08658	2.2
140.07048	4.0
152.99422	1.2
153.10210	1.5
154.20174	0.4
155.08167	1.3
164.09427	1.4
184.88496	0.8
195.14934	1.3
197.16502	3.8
199.18086	0.6
207.13136	0.4
207.14966	8.1
209.16484	0.5
223.11995	0.9
224.17664	6.2
225.16045	4.1
228.64734	0.4
242.18687	4.4
294.25516	1.1
310.25024	1.6
337.26120	20.8
355.27188	10.5
403.08984	0.8
423.33685	1.0
499.02414	0.5
520.42535	0.6
564.41333	100.0
565.41669	4.3
600.38873	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.0277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57191	1.3
59.00071	2.1
59.01243	100.0
72.99168	3.7
79.68264	1.5
115.02415	4.9
117.00292	8.3
128.10938	1.8
134.96953	1.9
157.03603	2.5
159.01389	82.9
174.99165	21.2
176.98007	37.6
201.02480	37.1
203.02480	2.1
217.00270	73.4
217.27461	1.8
237.99918	1.8
259.01627	3.6
259.41321	1.9
273.87799	1.9
274.99490	4.8
276.99203	2.1
301.02667	68.8
302.02789	2.9
317.00449	43.6
317.03986	2.9
318.00742	2.0
359.01553	26.7
361.01459	5.1
368.65536	2.1
374.99597	3.1
450.34814	2.0
459.01501	15.4
498.99817	2.3
510.18964	1.8
541.00647	48.6
542.01093	2.8
600.88202	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.139
Annotation	Unknow
Peak:m/z	Relative Intensity
78.94014	0.8
78.95760	52.0
78.97743	0.7
79.77585	0.3
84.84184	0.3
85.43526	0.3
86.26227	0.3
96.94450	1.3
96.95934	5.1
96.96819	100.0
96.99531	1.1
98.06462	0.3
108.95094	0.3
113.02268	0.3
121.92356	0.5
138.97905	1.9
149.81560	0.3
168.98985	0.4
185.98584	0.3
199.00066	0.7
235.79529	0.3
241.01224	0.6
259.02252	16.0
366.86508	0.3
503.16122	1.1
543.93335	0.3
601.13855	6.8
612.96735	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86573	0.5
56.12603	0.6
57.22454	0.5
58.19772	0.5
58.25043	0.5
74.98949	1.3
75.74002	0.5
81.03306	0.8
83.04861	1.1
86.36956	0.6
96.95861	5.0
108.02015	2.8
109.02815	73.4
110.03137	1.1
110.14724	0.6
121.02790	0.7
125.02301	2.4
136.99026	2.8
139.03894	0.7
153.01826	100.0
153.06830	1.3
154.02164	1.8
162.47324	0.6
165.01860	1.8
167.03427	0.8
177.01907	0.9
182.24428	0.6
188.06915	0.7
230.18558	1.2
234.40176	0.6
241.00197	1.6
251.43770	0.6
255.05252	1.0
278.89981	0.8
295.11966	1.0
326.19333	0.8
327.07297	1.4
544.41614	0.7
552.45734	0.7
601.10150	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28856	0.1
55.20880	0.2
56.82746	0.2
59.00966	0.3
59.01242	2.9
62.22183	0.2
62.49578	0.1
63.55014	0.1
71.01241	0.8
71.04870	0.3
73.02798	1.0
73.58030	0.1
74.75862	0.1
78.95746	0.4
79.18169	0.2
79.95602	1.7
81.03265	0.2
81.31128	0.2
82.95300	0.2
83.01230	0.3
83.18872	0.2
85.02789	0.2
89.02297	0.5
91.72643	0.4
93.03324	0.3
96.95869	100.0
96.98501	1.3
98.95493	0.2
101.02325	0.9
103.89194	0.2
113.02301	0.3
114.93285	0.3
115.03845	0.8
122.12341	0.2
126.02948	0.2
134.62442	0.2
141.01610	0.2
155.14511	0.2
161.04469	0.2
173.04416	0.3
193.15964	0.4
237.15033	0.4
240.12776	0.2
255.15166	0.7
257.12903	0.2
302.30966	0.2
343.13089	0.5
395.28015	0.6
399.20328	1.2
417.21442	0.2
427.23502	0.3
459.22394	1.2
557.29053	0.4
601.32587	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	601.266
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42494	0.8
59.01242	22.9
61.98713	2.9
69.03317	11.5
78.84558	0.9
81.03351	2.0
87.04395	1.5
96.84582	0.9
97.02851	2.5
106.04109	1.1
107.04923	1.6
109.02845	1.8
109.06483	1.6
113.02237	1.0
113.05965	2.8
119.04960	1.2
121.02830	1.7
125.92870	1.0
135.08063	2.5
137.05952	8.3
149.05998	1.1
161.06023	1.6
167.61502	1.0
177.09088	6.0
179.07054	11.1
187.11137	1.5
189.09122	15.9
190.06274	1.3
205.08675	2.3
205.12421	2.9
213.09294	3.3
215.10701	6.6
233.11792	34.1
245.11908	1.3
251.12912	1.6
253.91103	1.2
255.88359	1.2
259.09921	3.0
277.10825	100.0
454.50888	1.2
462.25931	1.3
601.21619	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	601.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31164	0.7
56.83073	0.8
57.03313	1.0
58.00470	1.0
59.01241	54.5
59.02333	1.2
71.01237	44.4
72.99184	2.4
73.02798	2.1
81.75742	0.7
83.01239	4.3
83.80909	0.7
85.02801	7.5
87.00727	11.3
89.00032	1.1
89.02294	62.3
95.01246	2.1
97.59933	0.7
99.00736	1.6
101.02300	26.5
101.02961	1.6
110.98599	0.9
111.00824	0.8
113.02309	22.3
119.03368	23.8
125.02308	1.4
131.03378	3.1
141.01819	0.9
143.03392	6.5
145.02858	1.8
149.04440	2.3
161.04449	8.7
179.05522	22.0
203.41298	1.0
249.18806	1.0
259.20602	0.9
277.21735	100.0
278.22076	4.1
291.23303	6.5
301.21826	1.4
303.23270	3.3
319.22873	3.4
323.09854	11.6
323.31219	0.9
341.10898	40.4
359.91397	1.1
474.10748	1.2
524.31598	1.0
528.30811	1.6
601.32111	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00758	2.1
78.95766	0.7
92.04921	0.8
92.86539	0.7
116.04909	8.7
117.03330	20.9
118.04083	1.5
119.04894	26.8
119.05754	1.3
121.02810	3.3
123.04403	1.7
125.39552	0.6
130.06480	0.8
144.97791	1.0
145.02837	100.0
145.07445	1.4
146.03107	1.2
156.06819	0.8
163.03903	15.6
182.20258	0.6
193.87653	0.7
259.44019	0.7
260.40765	0.7
282.24475	2.3
350.25259	0.9
368.25876	1.4
393.29092	0.9
411.30231	8.0
437.28226	0.8
455.29236	14.4
534.09039	0.9
541.23224	0.9
557.33862	11.3
558.34357	1.3
559.97089	1.1
601.32910	38.1
602.33118	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	601.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	15.4
61.98679	0.6
71.01249	3.0
78.95731	0.9
79.66636	0.5
85.02811	0.6
89.02306	1.8
101.02280	2.7
115.52567	0.5
118.34321	0.6
161.04431	1.4
187.96527	0.8
233.11853	0.7
253.09282	10.9
305.24881	100.0
306.25278	2.8
350.53503	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45303	0.4
53.59624	0.4
56.58369	0.4
59.00114	0.6
59.01241	24.5
59.02462	0.6
59.25024	0.4
71.01240	4.4
78.95761	7.2
83.04848	0.5
85.02777	0.9
87.00755	0.7
89.02312	5.4
90.02665	0.5
98.15803	0.6
98.16297	0.6
101.02303	2.2
102.76424	0.4
113.02299	2.5
114.05391	1.1
119.03353	1.3
143.03354	0.5
149.04402	0.5
152.99487	2.5
161.04433	0.6
162.87106	0.5
168.04202	2.0
171.10106	0.7
179.05539	1.2
188.94800	0.5
224.06870	1.3
242.07944	3.9
250.27077	0.5
259.24420	1.1
271.09857	0.5
272.80676	0.5
277.21774	5.1
278.22101	5.7
288.79086	0.4
292.23801	0.7
303.23297	100.0
304.23721	2.9
323.09909	1.0
341.10968	2.1
342.11313	1.4
429.54941	0.5
528.30963	35.4
529.31525	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84148	1.0
56.43842	1.2
57.03309	1.6
59.01245	1.9
61.98692	14.0
66.36180	1.1
71.01244	1.4
72.99168	31.7
73.02785	1.4
79.95602	2.4
80.96373	2.3
85.02839	1.4
87.00733	2.9
87.23871	1.2
89.02312	1.4
91.72769	1.9
93.03320	1.5
96.93510	1.4
96.95873	100.0
101.02300	2.8
109.02826	2.9
111.04380	2.0
113.02318	2.2
117.03346	4.8
119.04962	3.1
121.02871	2.0
123.04379	2.6
125.02325	7.5
133.02811	1.8
134.03635	4.7
135.04393	13.3
137.02386	3.8
147.04382	1.8
149.02332	2.0
149.06024	1.3
150.03148	2.7
151.03928	3.3
153.01843	1.9
162.03003	1.4
165.05557	2.9
166.02631	2.1
167.03384	3.8
170.26189	1.3
176.75728	1.3
177.01938	5.0
178.02646	3.3
179.03468	4.7
237.09343	6.4
241.00203	28.2
253.08733	4.0
263.37726	1.5
269.08234	6.3
281.08258	11.4
287.09143	1.7
297.07782	3.2
299.09308	8.9
315.08633	8.2
325.07138	8.6
334.07230	2.7
343.08328	17.1
361.09320	74.9
437.17798	1.6
523.14600	34.5
569.00189	1.5
602.73773	1.6
603.10413	97.8
603.20709	16.7
604.11053	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	603.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	0.5
60.50884	0.3
69.05951	0.4
71.01243	1.5
72.93214	0.4
72.99122	0.5
79.76680	0.4
79.95595	4.4
80.96363	2.5
83.01207	0.5
85.02813	0.6
87.00737	1.3
93.03320	1.1
96.93430	1.5
96.95868	100.0
101.02304	1.2
107.04873	0.9
108.02010	1.0
109.02808	0.6
110.97400	0.4
113.02325	1.0
120.02016	0.4
121.02821	6.4
122.03601	19.3
123.00706	1.0
123.04367	1.3
124.01537	3.2
125.02380	0.5
136.01553	8.9
136.05176	2.2
137.02319	1.4
137.05948	0.7
138.03091	1.1
138.96939	0.9
153.05452	0.5
158.13316	0.4
164.04631	0.4
165.01822	4.8
165.05455	0.4
166.02617	15.6
166.96419	0.6
167.03363	1.6
168.04222	0.5
176.74570	0.4
177.01765	0.4
179.03383	2.4
180.04204	5.4
198.01619	15.0
207.02911	0.5
212.03218	4.5
220.11661	0.4
222.99110	0.8
240.90518	0.4
241.00215	17.2
241.05139	0.7
242.05782	0.6
257.08188	0.6
258.08963	3.1
270.18573	0.9
273.11340	6.4
285.07715	4.8
286.04950	0.6
298.95389	0.6
301.07181	0.9
302.07928	4.1
303.08731	0.5
317.10309	57.8
318.10706	2.3
342.05896	0.6
359.11459	1.3
361.09222	0.6
446.12271	0.8
461.14691	4.1
479.15631	10.2
485.15244	0.8
505.13617	11.3
506.13773	0.6
523.14581	36.7
524.15057	1.7
559.11145	3.6
585.09149	1.1
603.10297	42.7
604.10425	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	603.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13454	0.4
57.03299	1.8
59.01233	1.7
59.03295	0.8
68.99677	0.6
71.01227	1.0
80.65462	0.6
81.03303	2.7
83.01237	3.2
85.02803	0.7
86.96483	0.7
89.02271	1.4
93.03312	2.4
95.01227	1.6
95.04874	2.0
96.95868	1.5
97.02811	3.0
101.02282	0.9
108.02031	4.9
108.22227	0.5
109.02818	11.9
111.04378	6.4
119.04902	0.6
121.02853	3.8
122.03599	0.7
123.00730	4.9
123.04377	4.6
124.01553	5.6
125.02316	32.2
128.73187	0.6
133.02834	1.2
134.03625	0.7
135.04420	3.1
136.01575	1.0
137.02322	24.4
138.03128	9.7
139.03897	12.1
147.04358	2.0
149.02328	8.6
149.05988	3.7
150.03004	1.8
151.03929	3.3
155.03340	0.6
157.06483	0.8
158.03703	0.9
158.38614	0.6
159.04387	2.7
159.83293	0.6
160.05179	0.8
161.02333	4.1
161.05971	2.3
161.43443	0.7
162.03091	1.8
162.87169	0.7
163.00255	2.0
163.03877	1.4
164.01045	7.2
165.01849	9.6
165.05455	1.2
166.02647	3.1
167.03412	9.6
170.02097	1.2
173.06036	1.9
175.03905	5.0
175.07452	0.9
176.01041	1.3
176.04623	1.4
177.01846	28.5
177.05424	7.0
178.02634	2.9
178.06133	1.0
179.03403	7.1
189.05434	0.9
191.03395	2.6
191.07027	1.4
193.05006	1.2
193.08636	2.5
199.03908	0.8
200.04720	0.8
201.05453	2.5
203.03374	4.9
204.04256	1.7
205.05011	1.2
213.05569	1.2
214.06337	0.9
215.07080	1.3
217.05093	2.7
218.05766	2.9
219.03015	0.7
219.06577	14.6
220.07021	1.0
221.04529	9.5
229.04985	0.9
230.05827	0.7
231.06604	3.0
233.08121	1.0
236.06776	0.9
241.04921	0.9
242.05847	1.0
243.06567	1.9
245.04567	2.0
247.02446	1.4
255.06631	1.2
256.07306	0.6
257.04590	3.5
257.08228	1.2
258.05301	1.2
259.06024	1.5
260.06894	3.3
261.07687	6.5
263.05728	0.7
271.06281	3.3
272.06851	2.4
273.07678	5.6
275.09232	1.0
301.07144	4.6
302.07736	0.8
305.06696	17.6
315.08676	1.2
317.06705	2.7
373.12918	0.8
393.68057	0.7
397.13104	5.8
421.33081	0.7
423.12744	3.6
435.13007	6.6
441.11862	17.6
442.12598	0.9
463.12305	4.4
465.13937	1.4
477.14014	4.6
559.17908	1.9
603.17188	100.0
604.17889	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86473	0.7
59.01234	2.5
61.98691	1.6
65.75076	0.8
71.01252	0.8
72.99124	1.0
73.02809	0.9
87.00731	47.4
89.02315	0.8
93.03307	2.3
96.95855	2.7
98.43060	1.0
100.80006	0.8
103.30704	0.8
105.01773	1.5
105.03327	0.9
107.04866	0.9
108.02034	1.1
121.02821	6.6
122.03587	5.5
123.04375	2.5
127.04939	1.2
128.03410	1.1
133.02788	2.6
134.03613	32.1
135.04396	12.3
136.01537	39.6
137.02324	5.3
140.00005	1.1
149.01149	1.5
149.02316	12.2
149.05959	16.1
150.03113	50.4
151.03899	55.2
152.04674	4.3
153.05447	4.0
164.04700	5.2
165.05463	52.1
166.05827	1.7
167.07013	3.6
180.04205	3.6
181.04903	2.1
191.07150	1.0
195.04579	1.4
195.06531	15.1
208.40752	1.0
212.04930	1.1
213.05540	8.0
217.31076	1.1
223.03966	2.2
224.04761	2.5
225.05557	2.6
236.04793	2.1
239.03491	1.1
240.04269	2.3
241.05025	64.1
242.05659	5.0
252.04274	3.0
253.04987	5.7
255.06636	3.5
256.07401	44.9
257.08057	6.1
267.06528	1.8
269.04434	1.9
270.08859	1.4
271.09766	81.8
272.10086	2.2
283.08255	4.2
284.06918	5.0
285.07733	14.0
299.09238	11.4
305.10318	1.6
319.11832	13.1
356.02618	1.0
419.14975	2.2
443.93945	1.1
467.17120	34.8
468.17599	1.8
515.19232	33.1
516.19788	2.1
573.19739	2.3
585.19934	2.6
603.20886	100.0
604.21118	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	603.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12157	0.7
59.01234	1.7
71.14866	0.8
71.29844	0.7
72.07902	0.6
74.95287	0.7
79.81431	0.9
87.00732	47.2
93.03320	1.8
96.75102	0.8
96.95869	3.7
97.15810	0.9
100.92081	0.7
105.01765	1.2
108.02033	0.9
116.12907	0.9
119.09857	0.7
121.02806	4.7
122.03600	8.8
123.04391	1.9
125.02303	2.4
125.45864	0.8
127.04990	1.0
128.03397	1.5
131.19507	0.7
133.02873	1.3
134.03613	12.8
135.04416	7.7
136.01537	36.0
136.16486	0.7
137.02263	2.4
143.04466	0.8
143.30835	0.8
146.08118	3.3
149.02316	11.9
149.05969	7.7
150.03113	78.3
151.03902	42.4
151.04863	0.9
152.04626	2.4
153.01859	0.8
153.05444	3.5
162.03091	1.3
164.04694	4.0
164.99437	0.9
165.05470	84.9
166.05815	1.1
167.07034	2.2
173.66121	0.8
177.01796	1.5
179.07086	0.8
180.04158	5.2
181.04988	1.4
185.05984	1.5
195.06554	33.5
196.07018	0.8
197.06029	0.8
209.08006	1.0
211.02486	1.4
212.04774	1.1
213.05540	5.3
217.12000	1.0
223.03920	1.9
241.05035	46.4
242.05759	3.0
252.04230	1.8
255.06592	1.8
256.04672	1.8
256.07397	37.0
257.08136	4.3
271.09772	69.4
272.09958	2.5
277.12280	2.5
283.08286	2.6
284.06848	2.1
285.07660	3.0
299.09164	2.9
305.10269	2.7
306.07703	1.2
319.11905	11.9
349.05737	1.0
419.15060	2.1
429.09003	0.9
467.17160	8.4
499.55099	1.0
515.19159	15.0
516.19623	0.9
573.19025	1.8
585.19849	2.7
597.03864	1.0
603.20892	100.0
604.21228	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	603.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12157	0.7
59.01234	1.7
71.14866	0.8
71.29844	0.7
72.07902	0.6
74.95287	0.7
79.81431	0.9
87.00732	47.2
93.03320	1.8
96.75102	0.8
96.95869	3.7
97.15810	0.9
100.92081	0.7
105.01765	1.2
108.02033	0.9
116.12907	0.9
119.09857	0.7
121.02806	4.7
122.03600	8.8
123.04391	1.9
125.02303	2.4
125.45864	0.8
127.04990	1.0
128.03397	1.5
131.19507	0.7
133.02873	1.3
134.03613	12.8
135.04416	7.7
136.01537	36.0
136.16486	0.7
137.02263	2.4
143.04466	0.8
143.30835	0.8
146.08118	3.3
149.02316	11.9
149.05969	7.7
150.03113	78.3
151.03902	42.4
151.04863	0.9
152.04626	2.4
153.01859	0.8
153.05444	3.5
162.03091	1.3
164.04694	4.0
164.99437	0.9
165.05470	84.9
166.05815	1.1
167.07034	2.2
173.66121	0.8
177.01796	1.5
179.07086	0.8
180.04158	5.2
181.04988	1.4
185.05984	1.5
195.06554	33.5
196.07018	0.8
197.06029	0.8
209.08006	1.0
211.02486	1.4
212.04774	1.1
213.05540	5.3
217.12000	1.0
223.03920	1.9
241.05035	46.4
242.05759	3.0
252.04230	1.8
255.06592	1.8
256.04672	1.8
256.07397	37.0
257.08136	4.3
271.09772	69.4
272.09958	2.5
277.12280	2.5
283.08286	2.6
284.06848	2.1
285.07660	3.0
299.09164	2.9
305.10269	2.7
306.07703	1.2
319.11905	11.9
349.05737	1.0
419.15060	2.1
429.09003	0.9
467.17160	8.4
499.55099	1.0
515.19159	15.0
516.19623	0.9
573.19025	1.8
585.19849	2.7
597.03864	1.0
603.20892	100.0
604.21228	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	603.282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00033	1.3
59.01242	55.2
61.33197	0.9
61.98697	19.9
65.37949	1.0
67.01758	1.3
69.03313	10.8
81.03302	1.9
82.95291	1.5
83.04872	0.9
84.94934	1.1
85.02839	1.1
93.03311	2.0
95.04873	1.0
97.02767	1.5
104.48092	1.1
107.04901	2.5
108.02027	1.6
109.02822	1.7
113.05943	2.6
117.03338	1.9
121.02818	3.5
123.04405	1.2
133.06487	2.2
135.08035	3.3
137.02341	1.2
137.05966	7.7
147.04448	1.9
151.07497	1.9
161.05930	1.3
162.03125	4.0
163.03949	1.6
163.07545	1.7
172.05254	1.5
174.03178	1.3
176.76744	1.1
177.05505	2.9
177.09131	8.9
179.03458	1.2
179.07028	14.6
189.09161	18.2
193.04990	1.7
195.06656	1.1
205.08612	1.2
205.12299	2.7
213.09183	5.5
215.10707	7.5
217.12283	2.6
229.12437	2.8
233.08231	1.6
233.11789	41.1
247.13446	1.8
251.66531	1.3
259.09753	4.7
263.12915	1.4
277.10825	100.0
278.11212	1.2
283.15549	31.4
341.10526	1.4
342.49115	1.2
536.11566	1.5
565.30249	2.2
571.97430	1.4
603.22833	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	603.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15082	4.0
59.01235	6.0
61.98688	14.4
73.01426	4.7
76.51175	4.4
77.22961	5.1
84.04410	5.9
87.00742	12.0
94.86797	4.6
96.95898	12.3
107.04951	5.3
130.88010	5.3
136.04114	5.8
185.06111	8.4
203.10703	8.9
217.12424	11.6
229.12334	33.8
231.10150	26.4
259.09793	26.9
268.21002	6.3
344.15457	6.5
374.17679	10.2
384.96945	38.6
447.25525	9.2
457.23883	74.0
459.25635	10.9
516.31232	16.7
559.31812	100.0
567.16736	7.6
603.30969	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	7.4
59.46363	0.5
61.98684	2.5
65.33539	1.3
65.33839	0.8
71.01238	8.9
71.04893	0.9
73.02804	7.4
73.96800	0.5
75.00715	1.0
75.31795	0.5
75.40797	0.5
75.82567	0.6
78.95763	0.7
83.04876	1.5
96.95863	1.9
97.02789	2.1
99.04386	1.7
101.05949	1.0
113.28798	0.7
115.03869	3.9
117.03320	19.4
118.04110	1.3
119.04890	27.4
120.05231	1.0
121.02795	1.9
127.03888	0.8
143.01672	0.7
145.02832	100.0
145.04771	12.8
145.07341	1.3
146.03191	1.5
146.89771	0.7
162.03046	0.7
163.03905	19.3
271.56647	0.7
309.20700	0.9
414.14072	0.8
440.29477	2.2
458.31238	17.5
546.05835	0.7
557.27405	2.1
586.33698	2.9
604.34961	86.4
605.35541	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	604.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13391	0.6
53.34668	0.6
57.35387	0.6
59.00976	0.8
59.01246	14.4
59.02387	0.6
64.77973	0.7
70.72704	0.7
77.49891	0.7
78.61848	0.7
78.95749	6.0
91.72713	0.7
145.02748	0.9
152.99477	2.4
168.04257	1.6
170.88887	0.8
188.95110	1.3
242.08029	2.9
305.24875	100.0
306.25128	4.3
323.56509	0.8
346.06470	0.8
395.38498	0.8
398.10605	0.9
494.61389	1.0
530.32550	34.6
531.33038	1.7
565.42096	1.0
566.42334	4.0
584.41797	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41359	0.8
51.54432	1.0
57.38195	0.9
59.00965	1.8
59.01243	23.4
61.98700	11.1
70.50820	1.2
78.95757	23.7
108.90038	1.4
117.85477	1.3
152.99457	4.6
158.06812	1.2
168.04268	4.4
183.32491	1.2
224.06914	9.6
242.07982	2.9
256.37933	1.5
281.14178	1.6
281.30322	1.4
305.24866	100.0
306.25330	3.0
462.93579	1.2
530.32532	78.2
531.32715	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	605.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22810	0.3
63.40345	0.3
65.93463	0.3
71.78558	0.4
79.95592	4.8
80.02538	0.8
80.96379	0.4
94.97955	0.6
95.95076	1.3
96.95868	20.5
108.02029	33.9
110.97459	0.4
122.97435	3.7
123.04384	15.0
125.02375	0.4
143.54889	0.4
152.01042	81.0
153.01453	0.7
162.03128	1.7
166.97995	1.0
167.03401	100.0
167.09496	0.9
168.03769	1.0
177.05504	1.4
184.39525	0.4
275.02344	0.7
437.07617	12.6
587.18726	0.4
605.11884	45.3
606.12494	1.6
610.96167	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18343	0.5
59.01257	1.3
67.56059	0.4
69.46698	0.6
71.01247	0.9
79.95612	1.3
80.96388	0.5
89.02296	0.8
93.57430	0.4
94.68588	0.4
95.95100	1.1
96.95873	12.3
108.02031	28.4
109.02812	1.1
110.97472	0.7
115.36477	0.4
118.22361	0.5
122.97454	1.1
123.04375	12.5
125.02388	0.8
135.04465	0.6
137.02339	0.9
152.01041	66.1
153.01552	1.0
159.02870	0.7
167.03400	100.0
168.03738	1.6
177.01833	0.5
179.03387	1.1
184.39505	0.7
299.26651	0.6
407.08237	3.9
419.07990	3.8
437.08826	1.7
503.39310	0.6
569.19537	0.6
605.13324	14.9
606.13702	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.152
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19199	0.3
57.01498	0.3
57.03315	8.8
59.01238	0.4
62.70289	0.3
64.41512	0.4
69.41334	0.4
69.67358	0.3
83.01215	0.5
84.95839	0.5
92.97575	0.8
93.03327	2.3
96.95854	3.8
105.03295	0.6
108.02038	0.6
108.63641	0.4
109.02817	1.1
111.00715	1.0
114.55790	0.4
121.02817	4.9
123.04449	0.5
124.01537	1.1
124.98490	0.9
125.02312	100.0
125.05733	1.2
126.02653	1.7
133.02872	0.7
137.02327	1.9
139.03851	2.6
149.02327	6.8
152.01036	1.1
163.00273	1.9
164.01068	1.2
165.01813	1.3
166.02614	0.7
167.03369	1.7
177.01845	94.8
178.00729	0.4
178.02168	2.2
214.02753	1.0
217.05003	0.6
242.02209	1.2
243.03085	0.8
252.67142	0.4
257.04514	2.2
259.06076	0.7
269.75812	0.5
302.82990	0.5
303.05151	7.9
309.80670	0.5
317.06650	1.4
358.45462	0.5
443.09845	8.2
449.40909	0.5
479.12146	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02171	0.8
57.03317	52.7
57.04583	0.5
58.00450	0.7
59.00009	1.9
59.01243	100.0
61.57608	0.5
67.01742	0.7
69.03307	4.7
69.19983	0.5
70.99652	0.8
71.01240	57.4
71.04849	0.5
72.99162	2.0
73.02804	10.0
74.77457	0.5
77.78693	0.7
81.03309	4.8
83.01240	5.3
85.02805	16.4
87.00735	4.9
89.00100	0.8
89.02296	53.2
91.72792	0.6
93.03313	1.0
95.01252	4.5
96.95848	3.2
97.02807	7.6
99.00737	4.4
99.04375	54.0
100.99623	0.9
101.02303	57.4
109.02831	1.6
111.00716	3.0
111.04376	0.6
113.02308	31.8
116.44820	0.6
119.03373	25.4
122.03603	19.1
125.02315	66.8
126.02646	0.6
127.03868	0.7
128.08720	0.5
131.03391	5.1
137.02313	1.9
137.04958	0.9
137.05962	10.5
139.03893	2.2
140.96170	0.5
143.03394	11.0
149.04460	2.9
155.03436	0.8
159.02840	0.8
161.04457	13.6
167.03430	2.0
177.01875	0.8
179.05519	19.1
179.96666	0.7
180.05957	0.5
203.05533	2.0
221.06633	14.3
233.06711	0.7
245.06622	1.9
263.07700	6.9
277.09381	0.7
287.07651	0.6
305.08820	16.3
323.09848	88.0
324.10147	1.4
365.10880	15.0
405.14038	0.7
443.15536	2.4
461.16647	10.9
466.08591	0.5
503.17297	3.1
605.20856	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	605.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47542	1.0
57.03316	42.9
57.04449	1.1
59.01242	95.2
59.02438	1.5
69.03304	4.4
71.01238	55.4
71.04891	1.0
73.02808	10.1
73.13481	1.2
77.64635	1.1
78.04196	1.1
78.77877	1.0
81.03316	5.4
83.01234	5.6
85.02795	18.0
85.99253	1.1
87.00732	3.9
87.32162	1.3
89.02297	61.0
93.03308	7.8
95.01260	4.4
96.95885	3.9
97.02254	1.2
97.02801	8.6
97.17431	1.2
99.00723	5.3
99.04376	65.8
101.02303	59.2
109.02810	3.1
111.00768	1.8
111.04366	2.3
113.02307	30.5
119.03365	27.6
122.03601	14.4
123.04391	1.2
125.02315	71.1
131.03389	6.1
132.87726	1.4
137.02341	3.5
137.05957	10.0
143.03381	12.7
147.44710	1.1
149.04410	2.8
155.03465	1.8
161.04439	16.8
167.03432	3.3
168.98915	1.4
173.04434	11.5
179.05519	19.8
203.05360	2.0
221.06642	14.3
245.06694	3.8
247.79086	2.0
263.07782	7.1
305.08801	15.7
323.09857	100.0
324.10199	2.3
354.50748	1.6
364.33151	1.3
365.10898	13.8
375.41510	1.4
405.14130	1.6
443.15024	1.8
457.19769	1.4
461.16431	10.4
554.04553	1.4
557.05994	1.6
605.20697	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	605.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12289	0.3
78.95757	0.8
93.61819	0.3
102.26319	0.3
103.42837	0.3
109.39748	0.3
132.15932	0.3
169.64571	0.3
260.02499	0.3
317.24850	0.9
361.23889	0.7
394.12170	0.6
396.13251	0.4
401.13788	0.4
403.17084	0.4
415.15411	0.9
429.17105	1.1
430.17914	2.1
442.17688	0.6
443.14539	0.5
443.19254	0.5
446.21225	0.4
453.17700	0.5
455.19092	0.5
456.16156	0.4
457.20694	2.3
458.20938	0.5
459.18066	3.9
461.23419	0.6
469.20535	0.4
470.21570	0.6
471.18286	2.5
472.19211	0.6
473.19717	5.9
475.21600	0.4
485.19357	3.6
485.98181	0.4
486.20978	4.2
487.21237	0.8
496.19159	1.1
499.17709	2.3
500.18155	0.4
501.23889	2.9
502.20477	0.5
511.21338	2.6
513.19385	3.9
514.20099	9.8
515.19922	0.5
518.19421	2.0
528.21368	0.5
529.22473	100.0
530.11224	0.4
530.22870	5.5
532.21014	1.8
533.22253	2.2
561.25220	0.9
573.21259	1.0
605.23853	1.0
606.63574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85233	0.7
76.62279	0.8
78.95783	1.4
87.28722	0.8
162.61909	1.0
230.72847	1.0
349.05948	1.0
414.18628	0.9
457.20331	2.9
459.18460	3.4
471.18268	3.3
473.19778	6.2
485.19855	3.4
486.20987	4.2
487.21249	1.5
499.17722	3.2
501.22632	3.7
511.21289	2.2
513.19385	2.4
514.19855	8.1
529.22479	100.0
530.22620	2.1
532.21173	1.7
533.21692	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	605.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61213	0.6
52.21109	0.6
57.03302	1.5
58.00426	1.1
59.00124	1.0
59.01242	55.0
59.02450	0.9
69.04999	0.7
71.01241	26.8
72.99162	2.4
83.01249	2.0
85.02798	5.7
85.42028	0.8
87.00734	1.0
89.01756	1.9
89.02296	29.1
95.01232	1.8
96.95877	5.7
101.02306	20.0
101.92236	0.8
104.37876	0.7
109.02798	2.1
113.02311	9.1
119.03364	8.7
121.01257	0.8
121.02870	1.2
124.76215	1.0
125.02306	1.6
135.04347	1.1
136.05186	7.2
137.02254	0.9
138.03139	1.8
150.03088	3.5
162.06732	2.0
167.03357	1.5
171.77078	0.9
173.04480	1.0
179.03461	0.9
219.13853	50.9
220.14273	1.2
225.30649	0.8
237.14928	9.0
263.12997	3.9
266.47647	0.9
277.09595	1.1
300.04575	1.0
375.09692	0.9
399.20270	36.8
425.18164	3.5
443.19293	4.2
510.85471	1.0
561.25519	2.8
605.24573	100.0
606.24762	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	605.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22199	2.0
53.78729	2.4
55.75311	2.0
56.94664	2.1
59.01234	5.0
59.20091	2.1
61.98693	100.0
66.11816	2.6
69.03309	7.7
69.90084	2.2
78.00942	3.2
95.04882	2.7
108.02029	3.3
109.02835	6.2
118.33713	2.7
121.02833	7.7
123.00720	5.7
123.04417	7.1
124.01510	10.8
133.02803	3.5
134.03510	3.1
135.04391	3.0
136.01526	21.2
137.02335	10.4
139.03894	9.7
147.04367	4.7
148.01573	6.7
149.02312	6.5
150.03188	4.5
151.00261	20.6
151.03903	27.7
152.01036	6.7
160.01538	9.3
161.02351	9.4
162.03151	4.5
163.03912	3.3
165.01811	3.1
166.02638	19.8
167.03395	17.3
174.03104	3.3
175.03882	4.8
176.01080	41.7
177.01872	7.8
177.05482	3.7
178.02728	3.7
179.03427	4.3
180.04195	6.3
187.74918	2.7
190.02678	4.3
190.06215	4.4
191.03381	23.8
192.04240	8.3
194.02098	5.4
195.06587	7.1
203.03456	3.2
207.06633	3.5
209.04474	26.4
217.12302	2.9
219.02937	6.2
220.03729	5.0
235.06128	11.8
279.12354	6.8
291.22824	2.6
311.25244	3.0
341.06693	4.4
341.10428	7.1
356.08963	5.0
357.09781	3.8
363.21161	3.1
371.11279	29.0
372.12109	38.2
373.12869	4.2
388.11874	2.8
581.06610	3.4
605.27631	65.4
606.28192	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57026	0.8
59.01232	0.8
61.98679	2.5
72.50972	0.9
94.70997	0.9
100.78094	0.9
108.02026	1.2
109.02808	1.3
117.70545	0.8
121.02866	1.3
135.04401	2.7
145.02870	2.1
146.03616	64.8
147.04326	1.0
150.03081	1.6
161.05972	18.7
162.03087	4.1
163.03906	2.5
164.03297	2.2
164.04680	41.7
165.05391	1.5
177.05487	5.2
179.07045	100.0
180.04248	2.1
180.07433	1.5
195.06577	3.0
229.68126	0.9
280.22165	1.2
307.00638	0.8
349.52417	1.0
389.44876	1.0
402.40094	1.0
588.89636	1.0
605.25336	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51118	1.1
59.01221	1.5
61.87624	1.2
61.98692	2.1
77.74201	1.2
93.45007	1.2
109.02775	1.6
117.40087	1.2
134.03625	3.8
135.04399	1.7
139.76598	1.3
145.02837	2.3
146.03615	61.9
147.04373	1.9
150.03119	1.4
161.05978	18.8
162.03116	65.8
163.03571	4.3
164.04689	41.6
177.05481	66.2
178.05843	2.6
179.07047	100.0
179.14009	1.8
193.05011	4.0
251.08569	1.4
274.52264	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79798	0.4
51.80832	0.3
53.21944	0.3
58.32759	0.3
58.54959	0.4
60.15576	0.4
61.09261	0.3
61.98700	1.2
65.37394	0.4
74.80967	0.4
79.31330	0.4
94.32943	0.4
95.39640	0.4
114.33858	0.4
121.02852	0.5
134.90033	0.4
135.04359	2.3
139.61891	0.5
145.02852	2.3
146.03619	58.7
147.04266	1.4
150.03125	1.4
161.05980	18.4
162.03101	2.2
163.03885	1.9
164.04688	40.7
165.05374	1.3
177.05453	1.9
179.07050	100.0
180.04175	0.8
180.07359	1.6
195.06589	0.5
220.02655	0.5
224.71970	0.5
309.45370	0.5
411.10349	0.5
425.19589	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	1.6
61.98684	2.1
80.06825	0.8
89.95454	0.8
91.72723	1.0
96.83581	0.9
109.02829	1.3
110.09763	0.9
121.02818	1.4
123.04414	1.1
133.02824	1.1
134.03607	3.7
135.04361	2.5
139.03925	1.1
146.03624	43.8
147.04346	1.3
151.03847	1.2
159.04369	0.9
161.02390	1.9
161.05971	12.5
162.03120	100.0
162.08614	1.2
163.03712	1.5
164.04691	32.1
164.69333	0.9
165.05484	1.5
177.05481	86.5
178.05751	1.5
179.07048	73.7
186.34987	0.9
231.10374	0.9
481.88211	1.0
553.31921	1.1
605.27039	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11967	0.2
54.37482	0.1
55.56203	0.2
57.21506	0.3
66.96194	0.3
69.43180	0.2
78.95735	0.6
81.79530	0.2
83.79092	0.2
91.73372	0.2
92.02495	1.0
95.01245	0.2
96.69035	0.1
97.49686	0.1
106.04101	3.9
107.04866	0.7
108.02020	0.7
119.04868	0.9
121.02817	6.2
137.02287	0.4
161.03120	0.2
173.09526	0.2
212.47566	0.2
220.90689	0.2
247.20657	100.0
247.31419	0.8
248.21017	2.4
279.71075	0.2
281.24850	0.2
291.19678	66.0
291.33417	0.5
292.20010	1.6
315.78650	0.2
339.17352	0.2
358.11752	0.2
605.38330	17.7
606.38538	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.0753
Annotation	UDP-N-acetylgalactosamine
Peak:m/z	Relative Intensity
52.08540	0.4
59.01246	2.3
62.96264	1.0
63.83569	0.4
66.84669	0.4
71.01241	5.2
71.58899	0.6
72.99137	0.6
73.02805	0.7
73.59167	0.5
74.34236	0.4
78.93805	1.0
78.95763	100.0
78.97493	1.7
83.01257	0.7
83.31915	0.5
85.02806	3.5
87.00725	1.5
89.01827	0.4
89.02308	1.6
91.26962	0.5
96.95874	1.0
96.96825	17.2
101.02312	0.5
111.00698	0.7
111.01867	12.6
113.02316	3.9
114.02708	0.5
117.38174	0.4
119.98450	2.0
138.97951	0.5
146.98460	0.6
150.97928	0.8
151.06038	3.8
158.92442	45.8
161.99541	1.0
162.97861	0.6
173.04462	1.3
174.97992	2.2
176.93513	8.2
191.05602	1.4
192.99040	0.8
193.33229	1.7
211.00110	0.8
240.02757	1.3
246.01703	0.5
255.89465	0.4
260.95663	1.0
263.75504	0.5
264.02777	0.7
265.38721	0.5
272.95734	15.5
282.03873	16.6
290.15628	0.5
300.04980	2.1
305.01868	2.7
323.02896	3.8
343.99490	0.8
362.00549	6.3
384.98483	18.3
402.99606	6.4
605.19519	7.5
606.07587	56.0
606.19409	6.6
607.07996	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45328	3.1
53.56361	2.2
57.03317	7.9
58.28388	3.0
73.02263	2.5
81.03264	4.2
95.01252	3.6
96.95871	11.3
108.43404	3.1
109.02815	18.3
111.04374	5.4
121.02813	4.7
123.00758	7.8
124.01537	4.5
125.02318	100.0
133.02846	4.6
135.00787	4.1
135.04437	3.4
137.02321	48.5
138.03119	6.4
139.02962	4.2
139.03838	18.1
147.00754	18.9
149.02362	7.5
149.06027	3.7
151.00276	6.1
151.03908	5.4
159.04387	5.6
161.02443	4.6
161.70058	3.3
163.00253	36.9
163.03949	4.3
164.01076	22.7
165.01846	31.5
167.03308	18.2
175.00256	36.0
175.03938	7.1
176.01099	7.3
177.01833	78.4
177.05562	3.4
178.02362	3.3
179.03455	10.8
187.03960	5.5
190.02702	9.7
191.03424	30.9
203.03459	4.8
211.04018	5.6
215.03413	18.1
217.01376	10.3
221.04497	3.9
227.03386	4.3
229.04987	5.0
231.02855	4.7
233.04535	10.8
241.05002	4.3
243.03011	13.5
255.02939	16.6
256.03687	3.9
257.04575	13.5
261.04037	7.7
269.04675	4.6
273.03955	4.3
281.04794	3.2
283.02423	16.6
285.04059	9.0
297.04068	6.1
301.03555	99.3
301.07022	5.1
302.03766	4.9
303.05222	11.8
305.06702	60.7
313.03723	4.9
323.05515	9.2
343.04581	19.2
413.64569	3.9
423.07373	22.7
428.72504	3.7
431.04117	5.4
439.07037	7.3
463.06580	15.9
468.06940	24.3
469.07703	17.7
481.07886	43.9
571.08746	18.6
589.09729	8.3
607.11176	34.0
607.20166	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	607.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98696	2.9
62.78374	3.2
70.77481	2.7
94.94417	3.3
98.53313	2.7
99.81653	3.0
104.70205	3.3
109.02811	8.6
109.09750	2.8
109.49940	3.3
121.02808	30.9
124.01563	3.3
135.04422	5.6
137.02339	3.7
139.03882	4.5
145.02809	7.4
145.67876	3.5
147.04344	4.8
151.00319	8.3
151.03937	14.7
153.01851	5.5
162.03143	21.1
163.03935	11.8
166.02538	3.9
167.03435	6.4
175.03943	4.0
177.01843	7.4
177.05501	13.4
179.03493	6.6
180.04187	57.9
185.68013	3.3
189.05438	5.2
191.03447	12.3
191.07077	15.8
192.04219	29.9
193.05022	16.8
195.06566	68.9
205.04865	3.9
206.05635	4.1
207.06570	35.5
208.07347	36.5
325.69531	3.5
328.09628	7.3
343.11832	5.7
344.12668	9.2
345.13458	10.6
358.10233	5.3
359.11282	5.4
373.12878	36.3
374.13708	100.0
375.14246	8.6
411.12881	4.0
548.77728	3.6
577.28149	5.1
607.29535	20.4
631.12891	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	607.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80411	1.1
52.33578	1.2
53.81836	1.2
57.03305	3.0
57.78272	1.2
59.01232	3.9
61.98694	100.0
65.94637	1.2
66.14844	1.2
70.02868	1.3
78.95738	2.9
81.18092	1.5
83.04886	1.5
84.04397	10.7
96.95874	2.3
99.05506	2.3
99.08018	5.0
101.07065	25.3
123.04431	2.4
123.08016	3.7
149.09666	1.6
197.59827	1.6
215.14394	6.8
217.12309	2.4
231.13953	5.1
232.51355	1.7
256.13492	2.0
258.15042	4.3
260.16425	2.4
288.29965	1.6
305.24927	9.3
306.25226	11.6
307.25464	9.3
308.25815	5.6
329.18848	2.5
343.20355	9.1
359.20380	3.3
360.19781	2.5
366.20712	2.3
377.21210	4.8
433.27618	3.4
443.26077	3.7
461.26962	10.5
530.32178	2.4
531.33307	2.0
532.33093	5.5
533.33337	3.4
545.34058	4.4
563.34894	56.2
607.34052	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94421	0.4
57.03174	3.2
57.03492	2.4
58.02740	1.2
58.02982	0.8
61.98553	1.6
61.98890	1.3
64.16302	0.5
74.82086	0.5
81.03163	1.2
81.03577	0.7
82.02726	0.8
82.95150	0.9
83.04699	2.1
84.04221	12.9
84.04787	3.6
93.03152	1.2
94.02661	0.7
96.95724	1.0
97.03768	0.8
97.06287	1.2
99.05293	8.2
99.06014	1.7
99.07808	7.5
99.08533	1.9
101.06859	32.0
107.04683	1.8
111.05292	3.8
121.06325	0.6
122.05826	0.8
123.04158	4.4
123.07795	7.4
123.08767	0.8
125.09428	0.7
127.08506	0.7
131.08362	1.1
134.05811	0.6
143.04320	0.7
145.06189	0.6
146.18530	1.0
147.07848	1.1
149.09338	2.7
157.06311	0.8
169.06323	0.7
175.07405	0.9
175.10941	1.2
178.54970	0.6
185.12929	0.7
189.12576	1.2
203.14055	0.6
205.12036	0.9
213.12416	1.6
215.10652	1.0
215.14378	16.0
217.12285	5.3
229.12123	1.3
231.13893	9.1
231.16054	1.2
233.11690	0.7
233.15462	3.4
235.11066	1.3
243.13634	0.8
244.13437	5.1
246.15016	3.2
253.12340	3.6
256.13391	3.4
258.15002	9.2
260.16489	3.6
270.14819	0.8
272.16525	0.6
282.14737	1.9
284.16638	0.7
286.18033	2.6
287.60492	0.5
292.13477	0.5
293.15192	0.7
297.14972	0.7
300.19647	1.2
304.16974	1.0
319.16763	1.4
325.18961	1.1
329.18735	8.1
331.20337	1.2
333.18399	0.9
337.17935	0.9
343.20242	13.5
347.19672	0.6
348.19547	1.0
349.21356	1.4
351.19354	0.8
359.20163	5.3
360.19708	5.2
361.18069	1.2
366.20737	4.2
367.22861	0.7
377.21191	5.5
378.20453	2.2
433.27582	4.4
443.25992	5.2
445.24921	0.8
451.28500	3.0
460.28506	0.9
461.27008	13.1
463.27066	0.8
478.29657	1.7
479.29431	0.9
480.31113	1.1
520.34613	0.7
545.33905	8.3
563.34924	100.0
564.35419	3.5
589.32629	1.7
590.33521	0.6
607.34021	40.6
608.34296	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	608.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90219	0.4
56.21165	0.4
59.01242	2.0
61.44126	0.8
61.44393	0.5
71.01238	12.5
81.77283	0.4
85.02815	0.5
88.01474	0.9
88.03897	71.7
88.06088	1.3
89.02398	0.4
93.03312	0.6
96.95866	0.8
101.02278	1.1
101.82903	0.4
103.78649	0.4
110.12852	0.4
113.02371	0.7
114.01830	1.6
115.00237	14.8
125.02319	0.7
132.02904	38.3
132.06886	0.6
135.08038	2.2
148.08775	1.1
155.05672	0.4
161.09656	1.1
175.09964	2.9
198.10455	0.6
204.06532	0.5
213.12747	2.4
214.13606	9.3
229.35307	1.5
240.11549	4.2
247.91299	0.4
257.14224	11.3
258.12509	2.7
267.16339	0.7
269.19083	1.3
283.17056	0.8
285.17389	0.7
287.20215	3.3
295.17166	0.6
300.19650	1.0
313.18121	6.9
330.20801	10.2
331.19113	9.2
402.22821	5.6
446.21786	1.6
462.80325	0.6
493.24390	4.9
564.28052	1.2
590.26471	0.6
608.27203	100.0
609.27606	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	608.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37931	1.6
51.78713	1.7
57.03309	4.9
61.91619	1.8
61.98688	4.6
63.49199	1.6
66.03336	6.7
73.81641	1.9
78.95786	4.2
84.04411	2.2
96.97393	1.7
99.08015	9.0
100.03918	16.8
102.05448	17.6
102.05901	1.6
102.12623	1.8
112.03934	8.2
114.97800	2.0
118.60806	2.0
123.08028	5.8
128.03381	2.7
149.09642	5.4
152.99539	2.4
215.10725	2.3
215.14420	9.7
231.13817	4.4
244.13431	6.4
255.23291	2.6
258.14972	5.9
286.18222	12.1
300.19684	4.5
327.14899	2.5
359.20203	3.7
378.20746	3.3
461.27252	3.2
478.29785	5.8
520.34180	7.4
564.33331	100.0
565.33582	3.2
608.32458	43.7
609.31470	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	609.1255
Annotation	Gallocatechin-(4alpha->6)-gallocatechin
Peak:m/z	Relative Intensity
51.62997	0.8
52.46996	1.2
57.03314	8.5
80.86944	0.9
81.03306	2.2
83.01243	4.0
89.21470	0.9
93.03317	2.5
95.04866	0.9
96.95901	1.7
97.02802	1.2
102.68530	0.9
109.02823	7.7
111.04371	6.3
121.02826	5.7
123.00745	3.5
123.04391	1.9
124.01549	3.1
124.98248	1.2
125.02311	100.0
125.06037	1.4
131.04903	1.2
133.02812	1.4
135.04398	1.5
137.02316	25.9
138.03093	2.1
139.03883	13.0
143.10883	1.2
149.02373	10.4
149.05923	1.5
151.03891	4.7
157.08739	1.0
159.04439	1.9
159.34717	1.2
161.02310	1.4
163.00327	1.5
163.03918	2.5
164.01056	5.2
165.01830	14.0
166.02647	1.7
167.03366	13.0
173.05862	1.1
175.03886	8.3
176.00999	1.3
177.01846	71.3
177.05472	2.4
177.08046	1.2
178.02568	1.4
179.03401	11.5
187.03935	4.4
199.03998	1.5
201.05424	1.2
203.03432	3.4
204.04277	2.1
205.01349	2.1
205.05119	1.5
211.03883	1.2
213.05443	1.6
215.03458	2.0
217.05031	3.3
218.05847	1.3
219.06554	10.1
221.04520	5.1
227.03465	1.7
228.04227	1.2
229.04942	5.8
243.02946	7.2
255.02972	20.8
256.03745	5.7
257.04474	3.5
261.04099	3.8
261.07574	1.8
263.09698	1.2
269.04453	5.0
273.04074	5.0
282.01675	2.0
283.02469	13.1
285.03946	4.2
287.05487	1.2
297.04153	8.7
303.05225	6.2
305.06674	70.2
315.05093	2.5
355.08221	2.9
397.08887	1.2
423.07233	92.4
441.08307	23.4
453.08289	1.3
483.09348	6.8
569.57611	1.4
600.19598	1.9
609.12622	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	609.1255
Annotation	Gallocatechin-(4alpha->6)-gallocatechin
Peak:m/z	Relative Intensity
52.47000	1.2
52.92330	0.6
57.03321	7.4
59.12333	0.7
66.39206	0.7
75.95555	0.7
78.47527	0.7
81.03296	2.3
83.01228	2.8
93.03321	3.6
95.04897	1.7
97.02808	1.6
99.03422	0.7
107.04871	1.1
109.02805	9.5
111.04382	7.1
111.24042	0.9
121.02839	5.7
123.00757	3.6
124.01550	2.8
125.02314	100.0
125.05859	1.3
133.02820	2.0
133.06393	1.0
135.04393	1.8
137.02310	23.4
138.03070	1.8
139.03877	13.2
147.04396	1.3
149.02354	8.4
149.05974	0.9
151.03899	5.8
159.04436	1.3
161.02374	2.7
163.00302	0.8
163.03914	2.2
164.01123	4.7
165.01840	13.7
166.02631	1.5
166.30138	0.8
167.03386	12.6
168.03738	0.9
173.05922	1.1
175.03873	7.0
177.01846	71.8
177.05322	2.1
178.02469	1.5
179.03429	9.4
187.03912	3.3
189.05447	1.1
191.03410	1.3
191.07178	1.0
193.04945	1.3
199.04022	1.8
201.05522	1.9
203.03397	2.6
204.04279	2.3
205.01334	1.9
205.05086	1.6
211.03943	3.1
215.03474	2.5
217.05046	3.0
219.06607	8.1
221.04485	5.0
227.03517	1.9
229.04987	3.8
239.03458	1.0
243.03023	5.8
245.04654	0.9
251.03180	1.0
253.05222	1.1
255.02982	18.5
256.03662	5.8
257.04596	2.0
259.06107	1.4
261.04092	3.9
261.07693	2.6
269.04642	2.6
273.04117	4.6
274.04773	1.1
282.01883	1.9
283.02530	11.9
285.04077	4.5
287.05508	1.0
297.04041	6.8
298.04672	1.3
299.05643	1.5
303.05212	7.6
305.06689	65.1
306.07214	1.8
315.05145	2.0
345.06323	1.6
355.08200	2.6
393.93475	1.0
397.09280	2.5
423.07257	78.7
424.07312	2.4
441.08298	16.7
483.09271	5.2
486.74493	1.2
591.11346	1.5
600.20599	1.1
609.12732	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	609.1255
Annotation	Gallocatechin-(4alpha->6)-gallocatechin
Peak:m/z	Relative Intensity
52.46989	1.2
53.44847	0.8
57.03317	9.2
62.01501	0.8
64.85176	0.8
67.01685	1.0
76.31136	0.9
81.03320	2.1
83.01242	4.5
84.40162	0.8
93.03326	2.9
96.95876	1.5
97.02818	1.6
99.37167	0.9
107.04919	1.8
108.68616	0.9
109.02820	8.0
111.04366	6.7
119.04906	1.4
121.02805	5.5
123.00777	3.7
123.04378	1.3
124.01538	3.0
124.98369	1.2
125.02312	100.0
125.05909	1.6
126.02637	1.8
133.02826	2.7
137.02324	29.2
138.03104	2.1
139.03882	12.9
147.04395	1.6
149.02365	7.8
151.03902	4.1
161.02303	2.6
163.00255	2.2
163.03920	2.6
164.01059	4.7
165.01843	14.3
166.02571	1.7
167.03395	14.9
173.05968	1.1
175.03883	8.0
176.82343	1.0
177.01842	77.5
177.05482	2.6
178.02313	2.3
179.03413	12.2
187.03952	4.4
191.03429	1.9
191.07121	1.8
199.03865	1.6
201.05492	1.7
203.03435	2.3
204.04210	1.9
205.01375	2.2
211.03964	2.2
215.03482	2.7
217.01364	1.3
217.05055	2.3
219.02988	1.5
219.06508	6.9
221.04492	5.4
221.79517	1.0
229.04892	2.3
243.02940	6.1
250.15308	1.1
255.02945	14.5
256.03757	3.3
257.04529	2.6
259.06186	1.3
261.04062	3.3
261.07657	3.3
269.04630	2.8
270.95087	1.0
271.06189	1.2
273.04031	7.7
282.01886	1.6
283.02490	9.2
285.04102	4.9
297.03967	4.8
303.05185	9.2
305.06674	69.6
306.07022	2.2
315.05167	2.6
320.01694	1.0
355.07980	2.4
372.22552	1.3
423.07236	66.6
424.07504	2.6
441.08240	20.7
483.09311	8.2
600.20575	1.3
609.12500	10.4
639.31268	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1256
Annotation	Gallocatechin-(4alpha->6)-gallocatechin
Peak:m/z	Relative Intensity
52.46996	1.0
57.03324	8.8
58.66473	0.8
65.26880	1.1
69.03306	0.9
80.27401	0.9
81.03328	2.2
83.01244	4.1
83.04876	1.5
93.03291	1.9
95.01244	1.8
96.86971	1.0
96.95869	5.8
97.02842	1.4
105.03348	1.1
107.04882	1.5
109.02808	8.4
111.04358	4.5
115.07523	1.0
119.04907	0.9
121.02819	4.9
123.00732	5.6
123.04380	2.2
124.01514	2.9
125.02314	100.0
125.06073	1.3
126.02647	2.3
133.02824	2.4
137.02322	25.5
138.03156	1.3
139.03899	13.9
148.01555	1.2
149.02332	9.4
151.03915	5.4
154.08702	0.9
161.02350	2.9
163.00258	1.4
163.03853	2.3
164.01030	4.3
165.01828	13.3
167.03395	15.3
175.03940	7.9
177.01848	77.7
177.05232	1.9
177.08331	0.9
178.02417	2.1
179.03427	9.3
187.03987	5.0
189.05464	1.1
191.03444	1.5
191.07062	2.3
199.03934	2.3
201.05524	1.2
202.99792	1.0
203.03471	3.2
204.04161	2.1
205.01331	1.8
205.04951	1.1
211.03893	2.8
213.05623	1.9
215.03398	2.5
217.05002	4.1
219.02959	1.5
219.06590	9.0
221.04533	4.4
227.03503	2.3
228.04327	1.4
229.05101	4.5
243.02954	8.6
253.05009	1.3
255.02994	22.3
256.03793	6.3
257.04489	3.7
261.03973	3.1
261.07773	2.2
263.05557	1.3
269.04562	2.2
273.04050	4.6
282.01755	2.4
283.02469	11.5
285.04083	5.4
297.04086	6.7
298.04816	1.8
303.05081	9.0
305.06689	64.5
305.21423	1.1
306.07101	1.7
315.05069	1.9
355.08035	2.1
393.10663	1.3
397.09274	2.3
403.13821	1.2
423.07242	82.8
424.07587	4.0
441.08276	19.8
444.19427	1.1
483.09189	6.0
600.19934	1.8
609.12482	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	609.1257
Annotation	Gallocatechin-(4alpha->6)-gallocatechin
Peak:m/z	Relative Intensity
52.46998	1.2
52.52566	0.7
57.03323	8.7
57.91280	0.8
58.51362	1.1
59.01242	3.5
69.03334	0.9
70.82705	0.9
71.01230	5.1
74.36660	0.9
81.03362	2.0
83.01233	3.0
85.02802	2.4
89.02287	5.3
92.24090	0.9
93.03309	4.3
95.01242	1.6
95.04913	1.2
96.95856	1.6
97.02814	3.0
98.45127	1.2
99.00734	3.9
101.02283	1.5
105.03336	1.0
107.04869	1.6
109.02822	10.8
111.04401	3.9
112.31756	0.9
113.02311	2.7
121.02831	4.8
123.00759	3.3
123.04396	0.9
124.01534	3.2
124.98597	1.6
125.02315	100.0
126.02646	1.7
133.02850	2.0
135.04373	1.2
137.02321	27.1
138.03104	3.4
139.03889	11.2
146.03453	1.1
147.04437	1.7
149.02324	8.5
149.05917	1.2
151.03902	6.1
159.04369	1.8
161.02391	1.9
163.03920	2.3
164.01054	4.4
165.01825	12.3
166.02582	1.2
167.03387	15.7
173.60742	1.0
175.03905	6.7
177.01851	76.4
178.02470	2.4
179.03458	9.5
187.03944	3.7
188.04715	1.4
189.05357	1.5
191.03369	1.9
191.05554	1.4
199.04028	1.3
201.05597	1.7
203.03491	3.5
204.04269	2.3
205.01338	1.2
205.05013	1.2
211.03929	1.9
215.03426	1.5
219.06580	6.3
221.04579	3.9
227.03491	2.2
228.04166	1.7
229.05084	4.2
241.05005	1.2
243.03008	5.9
243.06723	1.5
255.02995	12.5
256.03754	3.2
257.04471	2.2
259.06281	1.3
261.04071	2.7
261.07700	2.4
269.04477	1.4
273.04080	5.8
282.01584	1.2
283.02570	6.5
285.04141	2.7
293.08823	2.6
297.04089	4.3
299.05609	1.7
303.05139	7.0
305.06686	58.6
306.07077	1.9
315.05182	3.2
355.08044	1.6
397.09235	1.8
421.01981	1.2
423.07242	63.1
424.07855	2.1
441.08170	14.6
455.14059	3.3
483.09262	4.7
501.07983	1.2
545.48840	1.2
573.15570	1.1
600.20392	1.8
609.12701	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	609.1465
Annotation	Robinetin 3-rutinoside
Peak:m/z	Relative Intensity
52.84188	0.2
54.31320	0.3
58.05325	0.2
61.97841	0.2
63.97026	0.2
65.00190	0.5
71.24233	0.5
71.24592	0.4
75.87975	0.3
82.59741	0.2
86.85056	0.2
91.72659	0.6
100.60349	0.2
103.59233	0.6
103.59934	0.4
106.42258	0.3
107.01248	1.1
108.02010	1.2
110.24893	0.3
112.22189	0.2
121.02821	0.4
132.20549	0.2
135.00769	0.6
148.01514	1.5
151.00255	3.9
152.01010	0.4
159.16754	0.3
163.00262	0.7
164.01060	0.5
164.86815	0.3
170.61372	0.3
178.99754	2.3
192.00606	0.5
199.03966	0.9
201.01826	0.4
211.03947	0.3
215.03477	0.4
216.04114	0.9
226.02679	1.5
227.03400	2.3
243.02956	11.3
244.03563	0.3
254.02184	2.0
255.02971	25.1
256.03336	0.7
271.02490	54.0
272.03055	3.0
299.01938	1.8
300.02750	100.0
301.03326	6.0
489.09995	0.5
503.52808	0.3
514.87726	0.3
609.14661	52.5
610.15100	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	609.1464
Annotation	Quercetin 3-galactosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
53.33237	0.4
54.38807	0.3
58.51084	0.4
63.02264	0.6
65.00189	0.9
67.31932	0.5
69.85625	0.5
71.24242	0.6
82.69790	0.4
83.01231	0.6
88.75600	0.4
90.44202	0.5
97.52495	0.7
97.53012	0.8
101.31706	0.5
103.59222	1.0
103.59936	1.0
107.01247	2.8
108.02037	1.5
108.58847	0.5
109.02807	1.1
118.69537	0.4
121.02835	1.8
135.00752	1.0
136.04608	0.4
137.02188	0.5
148.01599	1.2
149.02344	0.8
151.00255	10.2
156.94806	0.5
163.00296	2.0
168.97267	0.5
169.01387	0.7
178.99770	5.4
183.04510	0.9
187.04002	0.7
199.04004	0.8
211.04065	0.9
211.39174	0.5
213.18701	0.5
226.02710	1.5
227.03491	3.6
229.05096	0.8
243.03001	9.7
244.03896	0.6
245.04529	1.1
254.02280	2.1
255.02975	26.6
271.02502	55.2
272.03287	1.8
273.04025	0.7
283.02600	0.9
299.02145	1.0
300.02762	89.3
301.03534	34.6
405.83026	0.6
598.90259	0.6
609.14673	100.0
610.14679	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98132	0.3
54.31322	0.4
55.20206	0.3
59.01224	0.3
63.02273	0.4
65.00166	0.7
69.03851	0.3
69.04197	0.3
71.24241	0.7
71.24570	0.3
78.20500	0.3
83.01244	0.5
91.73342	0.8
98.41089	0.3
103.59238	0.8
103.59946	0.8
105.27966	0.3
107.01260	1.3
108.02037	1.3
118.12798	0.3
121.02829	0.9
135.00798	0.5
148.01581	1.4
151.00261	6.3
163.00301	1.2
164.01044	0.6
178.99751	4.2
185.87474	0.4
192.00494	0.5
199.03954	1.3
201.01935	0.4
211.03862	0.8
215.03473	1.1
216.04262	0.6
222.65662	0.4
226.02635	1.9
227.03409	2.7
243.02963	11.0
244.03687	0.5
254.02290	1.9
255.00920	0.5
255.02975	27.3
271.02493	59.6
272.03247	2.4
299.02023	3.4
300.02756	100.0
301.03519	6.7
324.50681	0.5
345.28696	0.4
429.08621	0.7
456.12186	0.4
522.12506	0.4
609.14661	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1467
Annotation	Quercetin-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside
Peak:m/z	Relative Intensity
50.06179	0.4
55.69802	0.4
58.36444	0.4
59.01232	0.8
65.00201	0.7
66.46431	0.4
72.60020	0.4
79.20493	0.4
82.15079	0.4
83.01217	1.1
83.04887	0.5
93.03310	0.9
97.52473	0.6
97.53005	0.5
97.90194	0.5
102.98489	0.5
103.38764	0.8
103.39404	0.8
103.79695	0.8
103.80276	0.6
107.01237	2.7
109.02831	1.9
110.24727	0.6
121.02825	1.6
125.02305	1.1
128.03413	0.8
135.00737	0.6
147.00768	0.6
149.02344	0.8
151.00253	10.5
159.04376	1.0
163.00230	1.0
163.04037	0.5
164.00993	0.7
169.01469	0.5
171.04417	0.9
175.00290	1.1
175.03867	0.6
177.01837	0.5
178.99753	2.8
183.04443	1.0
185.02380	0.8
187.03914	1.3
191.03423	0.5
193.01331	0.8
199.03929	4.0
201.01846	1.0
201.05486	0.9
211.03926	1.0
214.02753	0.6
215.03416	2.2
226.02666	1.2
227.03477	4.8
229.05002	0.8
239.33139	0.5
243.02983	5.1
254.02298	0.7
255.02930	8.1
256.03748	1.0
265.35843	0.5
271.02493	61.9
272.03049	1.3
273.04156	0.7
283.02475	10.3
283.15396	1.2
284.03299	1.0
285.03995	6.3
297.04202	0.8
299.01971	100.0
300.02670	14.8
301.03534	78.9
302.03967	1.1
313.03506	1.2
314.04376	0.5
315.05215	0.5
327.05209	0.6
343.04398	2.5
385.12888	0.6
446.08524	1.5
447.09320	17.5
461.08118	0.5
462.08041	26.1
463.08868	23.8
464.08884	0.6
489.10443	0.7
603.39862	0.5
608.25922	0.8
609.14673	96.2
610.14862	1.8
629.67871	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1465
Annotation	6-Hydroxykaempferol 3-rutinoside
Peak:m/z	Relative Intensity
56.91601	0.5
59.01215	0.6
63.02243	0.7
63.25748	0.5
65.00179	1.1
71.24233	0.9
71.24568	0.6
77.76716	0.5
78.95766	0.9
83.01231	1.3
84.50600	0.5
85.37472	0.5
93.03318	0.7
96.95852	1.2
97.52997	0.6
103.59239	1.1
103.59874	1.0
104.03388	1.3
104.69287	0.5
107.01240	3.4
108.02029	1.6
109.02808	1.2
121.02798	2.0
135.00722	0.9
137.02420	0.7
148.01538	1.8
151.00272	10.3
158.48264	0.6
163.00244	2.3
164.01018	1.2
164.11389	0.5
168.60941	0.5
169.01279	0.6
173.04512	0.6
178.99767	5.5
190.02702	0.5
191.05544	3.3
191.28600	0.7
192.54295	0.6
199.03906	1.4
211.04004	0.8
215.03413	1.2
226.02596	1.3
227.03436	3.5
243.02951	13.4
245.04507	0.7
254.02106	3.6
255.02985	34.0
256.03448	0.7
265.14825	0.7
268.91229	0.6
271.02493	74.5
272.03162	2.4
283.02509	0.9
299.01849	2.8
300.02759	100.0
301.03503	19.1
330.90192	0.7
395.27112	0.6
497.42197	0.7
581.74774	0.7
609.14673	78.6
610.14728	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39093	4.8
52.60479	4.2
59.01236	24.3
61.98682	17.7
65.96251	4.7
69.01925	6.0
70.73918	4.8
71.01254	10.0
78.95747	17.0
89.02293	30.3
89.02779	5.7
101.02316	11.5
104.99944	6.8
138.97052	5.8
143.03404	7.0
145.02853	7.0
152.99484	9.8
179.05449	12.5
197.40353	7.2
207.58757	7.0
210.08339	5.8
249.18593	29.0
252.27299	7.8
271.02463	9.0
300.02612	9.6
323.09787	20.2
341.10867	100.0
465.53864	8.4
603.31317	8.7
609.26868	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68555	0.7
56.01531	0.7
57.03303	2.3
57.27057	0.7
57.40383	0.7
59.01244	70.1
59.02404	1.1
61.98688	0.7
69.03307	2.1
71.01238	27.5
72.99151	1.3
73.02816	5.1
75.00732	0.9
75.14683	0.8
78.95742	0.9
79.95580	1.2
81.03304	1.3
83.01234	3.3
85.02807	10.5
85.99939	1.5
87.00730	2.5
89.02298	6.2
93.03345	0.8
95.01247	2.3
96.95858	2.9
97.02814	2.6
99.00724	1.6
99.08036	1.3
101.02299	12.7
112.01519	1.6
112.88239	1.0
112.88859	0.9
113.02316	7.9
119.03375	2.6
124.01550	5.1
125.02322	7.4
131.38031	0.7
141.02112	1.7
143.03416	1.1
148.64153	0.8
151.00253	1.2
161.04440	0.8
173.04478	0.9
215.08282	0.8
239.54958	0.7
243.03078	1.4
255.03012	3.5
269.21313	4.0
271.02560	7.0
271.22821	1.3
285.20569	1.5
287.22299	42.7
299.22336	1.1
300.02753	11.3
301.03598	2.1
301.23911	1.2
329.23358	2.9
413.25711	4.9
429.24698	1.1
431.26517	92.3
432.27063	3.0
435.22369	3.9
447.26016	9.4
449.27594	32.0
473.27573	100.0
474.27927	2.6
491.28638	30.0
509.27948	1.0
516.08734	1.1
578.87390	0.9
609.16058	7.8
609.31378	45.9
610.31561	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	0.9
58.99957	1.7
59.01243	100.0
59.02388	1.9
59.60315	0.5
61.63277	0.6
61.98689	1.0
63.56126	0.6
69.03313	0.7
71.01242	6.8
73.02806	2.6
73.33582	0.8
83.01262	2.0
85.02808	7.9
87.00742	1.6
89.02327	1.5
93.03321	1.1
96.95892	3.1
97.02831	1.3
97.10118	0.6
99.00754	1.0
101.02309	7.0
108.12460	0.7
111.18406	0.6
113.02344	2.6
119.04912	1.2
120.45334	0.7
125.02332	0.8
163.03909	1.8
173.04532	1.8
191.03786	1.9
191.05539	38.1
268.09744	0.7
271.02621	1.8
299.02640	1.1
300.02948	2.2
371.24307	3.3
389.25580	2.8
413.25403	11.3
417.21603	0.9
431.26581	4.8
435.24048	0.8
455.26520	15.5
473.27414	8.8
491.28815	6.3
586.56128	0.9
609.15063	2.6
609.28766	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	609.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43808	0.2
54.92031	0.2
55.44925	0.2
56.59319	0.2
57.03315	1.0
59.00021	1.6
59.01241	100.0
61.22651	0.3
61.98690	1.2
62.35450	0.2
67.09633	0.2
68.79974	0.3
69.03322	0.7
71.01237	5.5
72.99178	0.5
73.02812	1.9
83.01235	2.1
85.02801	5.0
85.99957	0.5
87.00732	0.5
89.02303	0.3
95.01248	0.9
96.95911	0.4
97.02822	0.7
99.00751	1.0
101.02309	4.6
104.84465	0.3
108.90083	0.4
111.00754	0.4
112.01550	0.7
113.02309	3.0
124.01525	0.4
125.02317	0.9
129.01741	0.3
143.03439	0.8
144.08603	0.4
145.90457	0.3
151.27701	0.3
159.02925	0.3
161.04536	0.6
173.04546	0.4
213.42886	0.3
246.12108	0.3
271.02621	0.5
300.02838	0.7
369.26605	0.7
371.24423	2.7
389.25479	3.7
395.24353	0.5
413.25452	10.6
431.26526	4.5
449.27783	0.7
455.26517	15.9
456.27292	0.7
473.27545	7.5
474.27914	0.4
479.16309	0.3
491.28564	5.4
491.35513	0.3
492.28964	0.4
609.29675	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98676	1.6
65.21980	0.9
71.70828	1.1
71.98981	3.1
74.00555	19.2
83.98990	3.5
87.05497	2.8
88.58119	1.1
91.81578	1.0
97.00301	2.3
110.53878	1.2
111.01858	1.5
113.03437	7.7
119.04905	2.0
121.02869	1.1
122.51020	1.1
129.10176	1.4
137.03392	1.1
139.08658	2.8
140.07057	1.8
141.06584	16.3
145.02844	3.6
152.99486	1.2
153.10231	3.1
155.08098	3.2
163.03838	1.2
165.10271	2.4
174.01669	1.8
181.09775	1.3
183.11282	2.4
187.09074	3.2
193.51248	1.1
200.13942	1.3
211.14445	8.0
226.12010	3.3
254.15129	10.2
282.13467	2.0
295.21442	1.2
300.02835	2.5
307.17795	1.3
325.18805	25.9
370.87552	1.3
415.25012	3.4
540.92029	1.4
557.17462	1.5
575.35742	5.4
591.33069	3.9
609.34460	100.0
610.34814	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	610.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46330	0.8
57.03315	2.7
57.11441	0.4
58.02839	3.9
59.01232	0.4
70.02835	0.4
71.01215	0.4
72.00752	0.4
74.02325	8.4
81.03284	0.4
82.02818	1.0
84.04357	0.5
85.03931	0.6
86.02333	4.0
86.05968	0.9
86.27661	0.4
86.98936	0.6
87.05482	2.1
88.03909	0.4
90.00040	1.1
93.03305	0.5
96.95876	1.8
97.03933	1.3
99.05494	9.1
101.07059	1.5
102.05465	1.6
109.02821	0.5
109.03915	1.1
109.07558	0.7
111.05508	0.7
112.03911	1.4
113.03516	0.4
116.01632	0.5
121.02810	1.1
123.05492	0.7
124.03928	0.5
125.02312	27.0
127.05020	2.0
128.03404	25.0
131.04497	0.9
135.05499	1.7
137.02319	1.7
137.07103	0.8
141.06563	2.4
143.04506	37.2
143.08850	0.5
145.06038	2.2
146.04491	3.1
149.02306	1.9
153.06595	3.1
155.08224	0.4
159.99402	0.7
160.00639	9.9
164.01048	0.5
165.01787	1.1
166.09729	1.4
167.04521	3.0
167.08177	1.3
168.36060	0.4
168.99568	1.1
170.03220	0.6
171.04022	0.4
177.01869	20.4
177.03300	3.8
179.04521	7.4
181.06049	0.7
185.05588	2.0
192.07753	0.6
197.05638	1.2
198.08681	0.4
198.38689	0.4
210.08791	7.4
210.10617	0.6
242.07822	1.6
254.07838	6.7
272.08899	12.7
273.09039	0.5
288.06595	5.3
296.60214	0.5
303.05145	1.9
306.07663	100.0
307.07974	3.1
386.81046	0.4
442.09753	0.5
578.48853	0.5
621.15839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19767	0.7
58.02839	2.3
59.01240	1.8
70.02856	0.9
71.01252	1.7
73.57920	0.9
74.02345	9.9
75.35014	0.9
82.02825	1.2
86.02338	4.6
87.00758	1.7
87.05489	2.4
90.00037	0.9
94.63004	0.9
95.01899	0.8
96.95889	1.6
97.03916	1.2
99.00734	1.0
99.05494	9.9
101.07064	1.3
102.05481	1.5
106.67041	0.8
109.03942	1.2
111.05519	1.2
112.03915	1.0
114.01830	1.4
115.00218	0.9
124.03931	1.5
125.02399	1.2
127.05006	1.9
128.03406	28.3
130.08626	1.2
131.04616	1.2
135.05492	1.8
141.06590	3.0
143.04504	38.6
145.06117	1.3
146.04503	4.1
153.06584	2.6
154.99724	1.0
159.06552	1.1
160.00627	11.3
166.09802	1.5
167.04498	1.8
167.08176	1.5
174.88571	1.0
177.03300	3.4
179.04562	8.7
185.05620	1.5
197.05574	1.8
198.08632	0.9
210.08774	10.6
242.07878	1.3
254.07857	8.8
259.06082	1.1
272.08841	10.7
288.06686	5.1
306.07657	100.0
307.07806	1.8
404.15024	16.4
495.24252	1.6
539.58740	1.0
610.26263	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	610.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46323	1.1
58.02831	3.7
59.01237	1.8
62.53460	0.8
63.67673	0.8
64.65558	0.8
66.43471	0.9
71.01237	2.3
72.99171	1.0
74.02326	9.5
77.28249	0.9
82.02863	1.1
82.95266	1.8
83.18124	1.0
86.02324	4.8
87.00708	2.2
87.05487	2.1
90.00021	1.0
96.95861	2.1
97.03916	1.9
99.00722	1.6
99.05502	6.6
101.07045	2.0
113.07052	2.3
114.01820	1.9
115.00219	1.4
118.24316	1.2
124.90495	1.1
125.02285	1.8
125.45974	1.0
127.04990	2.0
128.03415	28.3
135.05524	2.7
141.06548	1.8
143.04507	40.5
145.06100	1.9
146.04477	2.9
153.06583	2.9
160.00641	10.9
166.09709	1.6
167.04533	2.2
167.08209	1.5
176.48004	1.1
177.03267	5.3
179.04552	9.4
186.20462	1.0
210.08844	10.6
210.10681	1.7
222.10316	1.5
254.07835	8.6
266.09351	1.4
272.08868	13.4
273.09769	1.1
287.05548	1.2
288.06650	4.6
306.07666	100.0
307.07819	2.2
403.31482	1.3
404.15005	19.2
495.24075	1.4
610.26227	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	610.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56340	0.5
53.58829	0.6
59.01233	2.3
60.35058	0.7
60.99153	2.4
61.50583	0.7
61.50855	0.6
61.98679	1.8
71.01238	13.4
87.00744	1.0
88.00273	1.1
88.03895	51.7
88.98661	16.2
89.02312	1.1
89.55364	0.7
93.56585	0.7
93.88193	0.7
96.95879	2.1
98.30258	0.7
109.01527	0.7
109.95448	0.7
114.01841	1.4
115.00231	16.0
125.02274	1.3
132.02904	45.6
137.02254	0.8
148.08789	2.8
152.01056	1.1
153.09100	1.3
161.09581	1.2
164.33640	0.9
167.03387	2.5
168.03703	0.8
178.68480	0.9
180.07780	2.2
188.57323	0.9
206.21523	0.9
211.90154	0.9
228.88860	1.2
242.13040	3.9
285.18600	1.0
289.21762	21.1
315.19733	5.9
332.22354	17.0
333.20700	2.6
353.94177	0.9
404.24408	1.7
461.18292	0.9
461.46686	1.2
495.25720	6.8
592.27563	1.5
610.28723	100.0
611.28827	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	611.141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78890	0.3
57.03316	3.2
60.47159	0.3
69.03320	0.6
77.03826	0.3
81.03313	2.0
83.01235	1.8
83.04883	0.3
85.89725	0.3
87.24408	0.3
93.03310	1.4
95.01242	1.4
95.04890	1.9
97.02806	2.5
105.03342	0.3
107.04898	0.7
109.02818	6.7
111.04375	5.2
121.02819	1.6
123.00743	3.7
123.04419	0.7
124.01546	2.5
124.98627	0.7
125.02316	58.9
126.02673	0.8
133.06424	0.5
135.04401	1.1
137.02325	18.2
138.03130	1.8
139.03896	14.2
142.74007	0.4
147.04417	0.8
149.02345	0.9
149.05988	1.5
151.03897	1.9
155.03429	0.4
158.03606	0.4
159.04442	0.7
161.02330	2.2
161.47646	0.4
162.03108	0.4
164.01056	4.3
165.01842	14.7
165.03259	0.7
166.02544	1.0
167.03406	16.9
173.06056	0.7
175.03938	2.1
176.04677	0.6
177.01820	1.8
177.05455	3.4
178.02727	0.8
179.03413	13.1
180.03958	0.6
181.05003	0.5
189.05461	0.5
191.07106	1.6
201.05490	1.1
203.03481	2.4
204.04208	2.7
215.07126	0.3
219.06589	11.9
219.08714	0.7
220.06982	0.6
221.04510	4.7
233.08199	0.8
241.40883	0.4
243.06572	1.4
261.07678	3.8
263.05585	0.5
287.05569	0.8
300.67114	0.3
304.92471	0.8
305.06683	100.0
306.07004	3.9
432.42130	0.3
526.34607	0.4
616.10620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46329	1.2
58.02836	5.4
58.29309	0.5
71.01247	0.6
71.39855	0.5
74.02322	12.1
78.95760	1.9
81.04446	0.9
82.02822	2.4
84.04380	1.0
85.03944	0.6
86.02325	5.5
86.05965	1.0
86.98965	1.2
87.05486	3.5
90.00031	2.0
96.96815	2.8
97.03937	3.2
99.05492	13.9
100.00252	1.8
101.07058	1.8
102.00076	1.0
102.05440	1.3
105.99546	1.2
109.03928	1.7
109.07536	0.7
112.03922	1.2
113.03436	0.9
115.00250	1.0
116.01650	1.2
120.01110	0.7
123.05518	0.9
125.03413	1.6
126.01860	0.7
127.04977	2.3
128.03398	43.5
129.03668	0.7
129.99568	0.7
133.01273	1.3
135.05519	4.4
137.03397	0.6
137.07059	1.2
139.05103	0.7
141.06570	3.6
143.04498	55.9
145.06046	2.5
146.04451	4.5
153.06580	5.0
155.08160	0.8
160.00626	13.1
166.09758	2.3
167.04507	3.2
167.08185	2.3
169.06061	2.1
170.03183	1.1
175.01726	1.5
177.03323	4.6
179.04532	12.5
181.06093	1.8
185.05632	2.4
191.05542	2.9
192.07709	1.1
197.05585	2.3
203.04922	1.0
210.08792	12.2
228.09796	0.6
244.54642	0.7
254.07819	10.5
264.43988	0.8
272.08887	29.3
288.06674	6.3
304.06088	11.4
306.07657	100.0
307.07855	3.1
338.04877	11.6
443.93472	0.7
466.40268	0.6
482.10208	0.9
567.95172	0.8
593.13263	1.3
611.14514	22.5
612.15259	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.145
Annotation	Glutathione disulfide
Peak:m/z	Relative Intensity
50.35078	0.5
50.35328	0.5
50.46334	1.1
58.02843	6.2
72.00768	1.4
72.91806	0.6
74.02330	14.9
78.37466	0.6
81.04486	0.7
82.02831	2.8
82.69680	0.7
85.03929	1.3
86.02336	5.8
86.05978	1.4
86.98943	0.9
87.05491	3.4
90.00049	1.6
97.03957	3.7
99.05499	13.1
100.00278	1.6
101.07051	2.1
102.05477	2.6
105.99558	1.1
109.03938	2.3
111.05475	1.5
112.03945	1.7
113.03450	0.7
114.67546	0.7
116.01626	1.4
124.03944	1.1
126.01837	0.9
126.04246	0.7
127.05028	3.0
128.03406	44.4
135.05525	3.2
141.06583	2.9
143.04506	55.9
145.06111	2.2
146.04485	5.3
153.06580	5.5
159.95705	0.6
160.00624	12.4
166.09735	1.9
167.04552	4.3
167.05806	0.7
167.08168	2.0
169.06100	2.1
171.07658	1.3
175.01753	2.6
177.03328	4.1
179.04550	11.5
181.05994	1.1
184.10831	1.3
185.05562	1.6
192.07719	1.3
197.05621	2.8
210.08798	12.6
228.09888	0.7
242.07838	1.1
254.07829	11.7
272.08896	30.7
286.05121	0.9
288.06656	4.6
304.06128	10.2
306.07666	100.0
307.07965	1.8
338.04974	10.6
375.11246	0.8
451.55109	0.8
482.10385	1.5
557.87817	0.9
570.09192	0.8
593.13483	1.6
611.14441	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	611.1624
Annotation	Eriodictyol 5,3'-di-O-glucoside
Peak:m/z	Relative Intensity
53.57438	0.7
53.57669	0.3
57.03307	1.6
59.01228	0.8
59.24295	0.3
63.02255	1.0
63.71573	0.3
65.00169	1.5
66.91438	0.3
67.01727	0.4
71.60804	0.4
74.02322	0.5
75.00758	0.3
76.27738	0.4
77.61077	0.4
81.03297	1.1
83.01241	3.4
83.67937	1.0
83.68364	0.7
85.02809	0.6
88.43313	0.4
88.65196	0.4
90.08231	0.4
93.03308	1.8
95.01238	2.1
96.95850	1.3
99.05522	0.6
107.01249	2.2
108.02032	0.5
109.02803	1.4
111.00724	1.0
113.05859	0.4
121.02823	1.0
123.00742	1.1
123.04382	0.6
124.01556	4.0
124.98738	0.5
125.02313	34.8
126.02621	0.9
128.03400	1.4
131.04814	0.6
133.02812	1.1
134.03589	0.6
135.04303	0.5
137.02309	1.4
139.00229	0.5
139.03889	0.6
143.04555	0.8
144.42662	0.6
149.02278	0.6
150.03033	0.5
151.00256	6.9
152.01048	9.3
153.01802	1.6
156.05659	0.5
157.06461	0.9
158.03716	0.5
165.01842	5.7
167.03400	0.7
172.05188	0.9
173.04558	0.9
173.05910	2.8
175.03891	0.6
177.01782	0.5
177.05489	2.6
178.99757	5.2
180.00490	0.9
193.04950	0.5
197.06062	0.5
199.03955	0.5
199.07564	1.7
201.05516	5.3
203.03590	0.7
208.98199	0.4
213.05544	1.0
215.07112	3.2
223.28917	0.5
225.05537	0.5
235.68352	0.4
240.04190	0.6
241.04973	2.2
243.06628	6.9
244.07237	0.5
259.06119	47.6
260.06439	1.9
268.03842	0.5
269.04523	3.6
273.07739	0.9
287.05624	26.6
288.06006	0.9
301.07092	2.2
305.06702	1.3
306.07712	1.9
311.06107	0.4
329.06570	0.7
336.37543	0.4
421.11462	0.7
431.09540	0.7
449.10910	100.0
450.11301	4.8
496.14722	0.5
518.56555	0.5
611.16034	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	611.1624
Annotation	Eriodictyol 5,3'-di-O-glucoside
Peak:m/z	Relative Intensity
57.03323	6.2
59.01230	1.5
59.07913	1.2
65.00182	1.6
68.77132	1.0
70.84490	1.0
71.01237	2.6
76.21987	1.3
81.03295	1.9
83.01240	6.2
89.02280	1.5
93.03317	2.1
95.01227	2.1
95.04847	1.2
97.02792	1.8
101.05917	2.7
107.01252	3.6
107.04869	4.0
109.02805	3.9
111.04367	2.6
113.02300	1.5
117.13477	1.2
118.02028	1.2
119.50002	1.1
120.69123	1.1
123.00745	1.6
124.01552	3.0
125.02318	100.0
128.03343	1.2
137.02341	11.5
139.03908	7.4
149.02324	8.0
151.00276	16.6
152.01028	9.6
153.01744	2.8
155.03529	1.3
156.26524	1.2
158.03709	1.5
165.01834	5.8
167.03360	7.7
173.06006	3.8
175.03957	1.4
177.05463	3.2
178.99823	11.3
179.03389	4.8
179.23442	1.2
183.10196	4.9
196.05215	1.6
199.07642	2.1
201.05516	3.6
205.07028	1.4
213.11247	3.9
215.07135	6.4
219.06633	5.1
221.04530	2.3
239.03545	3.6
242.05835	1.7
243.06635	9.6
258.05469	1.9
259.06134	16.2
261.07590	1.9
267.03271	1.7
267.08969	1.4
268.03775	19.8
269.04559	20.1
283.06000	1.5
287.05582	3.7
305.06714	43.4
306.07523	3.5
419.18802	1.4
421.11435	37.9
428.26242	1.5
431.09930	16.4
449.10916	55.3
449.20746	3.3
516.79089	1.4
611.16217	80.7
612.16797	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37154	0.6
59.01238	2.0
60.10650	0.6
72.99165	4.5
78.07906	0.6
91.73466	1.1
93.03316	0.6
99.08015	33.7
101.02311	0.9
101.05940	1.0
107.00480	0.7
107.04893	0.8
109.02827	1.3
109.06438	3.7
111.08044	2.8
119.62175	0.6
121.02843	4.0
121.06455	0.8
125.02299	2.4
133.02829	0.8
135.04413	1.0
135.11665	0.7
136.05209	0.6
137.02322	1.4
139.03883	0.7
139.11165	1.4
160.81683	0.7
161.02328	1.1
161.13202	1.7
163.05603	1.2
163.11188	100.0
164.11595	2.4
165.12735	5.0
167.03383	1.8
167.14301	1.8
170.26247	0.8
175.11189	1.1
177.01839	1.6
177.12863	1.1
178.13112	0.7
179.14326	16.5
190.02704	0.7
193.12260	10.1
197.15424	1.6
205.01407	0.7
207.10185	2.2
211.13329	1.4
219.10179	1.5
223.13295	1.6
237.11322	4.6
241.14412	19.2
251.06592	0.9
251.09239	16.7
255.12328	1.3
268.07388	0.8
276.99957	0.8
285.13428	15.1
287.01724	0.8
305.06573	1.5
325.09311	21.4
486.60025	0.7
495.20245	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90058	1.3
57.45214	1.2
59.01243	67.3
61.98712	7.0
75.78432	1.4
77.79587	1.3
79.68659	1.3
93.03354	3.6
96.95872	17.1
108.02036	2.5
109.02866	3.5
121.02837	12.2
122.03610	2.9
123.04375	4.1
132.02109	1.8
133.02863	6.8
134.03629	7.8
135.04453	4.4
136.01537	4.4
143.61893	1.7
146.03691	3.2
147.04445	3.9
149.02338	52.6
149.03500	2.8
149.06017	6.7
149.18036	1.6
150.03113	12.6
151.03960	6.5
153.01834	2.3
159.04497	7.1
160.05222	3.8
161.06026	5.7
162.03194	3.1
163.04039	1.9
164.04672	9.6
167.03604	1.7
171.04390	2.1
172.05104	1.7
173.06021	5.1
174.03265	1.6
174.06711	1.6
175.07588	2.2
177.05470	3.1
189.05533	8.9
190.06418	6.1
203.07111	3.7
204.07944	5.2
205.08656	5.5
209.50986	1.5
249.05415	1.5
279.10327	2.7
295.09653	2.0
296.10510	2.3
297.11377	2.7
311.13126	2.6
326.11725	5.1
327.12418	3.1
341.13919	8.8
400.15173	1.9
401.16074	12.7
444.15686	2.6
459.18390	7.8
474.16812	4.7
477.19513	4.6
489.19202	83.0
490.19803	3.3
500.94153	2.3
507.20398	12.2
519.20197	2.3
549.21356	100.0
550.21942	4.5
561.13031	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	611.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56305	0.5
61.98682	1.0
66.03340	0.8
78.95768	1.1
80.04903	1.3
82.06492	0.7
82.95268	2.3
83.65285	0.5
84.08029	0.9
85.03931	4.2
87.05494	6.8
94.06433	0.6
95.04858	1.5
96.03149	1.1
96.08005	0.6
96.95860	2.1
97.03905	0.9
98.02348	1.0
99.92391	0.6
104.61514	0.5
105.50144	0.5
107.98250	0.5
111.01862	1.3
113.03429	3.4
115.08634	7.4
122.04716	1.0
124.02650	0.9
125.05733	0.6
125.07085	1.3
128.06937	0.5
129.10211	5.6
130.08603	1.8
139.05017	0.9
139.08614	3.9
140.07042	6.5
141.06573	2.1
141.10225	0.9
143.08168	1.1
145.02832	0.6
151.08667	0.6
152.99481	2.2
153.10216	2.4
155.08185	3.1
155.11789	5.5
165.10229	9.4
166.09785	0.6
167.08162	4.1
167.11763	0.6
169.09737	1.2
181.09755	2.2
181.13318	0.7
182.12883	7.3
183.11307	4.1
183.14920	1.7
184.10828	4.4
186.12436	0.8
193.13362	1.1
194.09340	0.7
194.11816	0.7
197.16541	6.3
197.50897	0.6
198.14136	0.5
200.13966	12.5
207.14919	1.6
210.12592	0.7
210.16017	0.7
211.14505	2.8
223.14470	1.5
225.82101	0.5
226.11996	1.0
228.17131	3.3
238.19386	0.6
242.18700	1.1
244.05937	0.6
252.20869	1.9
254.18819	1.4
255.24832	0.6
268.20279	6.7
278.11380	1.7
279.11655	1.7
280.16757	0.9
281.19846	13.6
281.22986	0.9
293.21243	1.9
294.21616	2.5
295.21539	2.3
299.20819	4.7
307.21207	0.8
309.19189	0.9
313.22476	1.3
323.15436	1.0
325.18909	3.0
325.22266	1.1
327.20303	1.3
349.26083	0.7
350.21936	2.3
361.26160	0.6
367.27374	1.2
368.23041	35.2
369.23312	0.9
381.28699	1.4
382.24658	1.4
407.26581	1.9
410.27844	2.2
436.29297	1.6
446.78006	0.6
469.19022	0.7
490.33734	1.0
531.37805	0.6
533.38135	1.8
565.37323	2.4
567.31384	0.8
577.37238	100.0
578.37634	3.8
583.24371	0.6
611.35846	12.6
612.37073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.36
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64087	0.8
56.71733	0.9
61.12373	0.9
82.06492	1.0
84.08031	1.6
85.03937	2.4
87.05492	6.5
89.02312	1.1
92.97057	1.0
94.06430	1.2
95.93208	1.0
97.03953	1.1
113.03427	3.9
115.08646	5.9
122.04700	1.8
125.07061	1.6
128.53369	1.0
129.10216	6.0
130.08640	1.9
139.08659	3.5
140.07072	5.8
140.07971	0.9
141.06561	2.0
145.02759	1.8
153.10262	2.3
155.08154	3.6
155.11842	5.7
165.10214	7.4
167.08167	5.7
180.25136	1.0
181.09767	1.8
182.12909	6.6
183.11272	3.3
183.15025	1.5
184.09428	1.2
184.10814	6.2
193.13362	1.7
197.16486	5.9
200.13939	11.3
207.14984	2.1
211.14490	2.1
223.14473	1.8
226.11896	1.1
228.17270	2.4
230.74080	1.1
242.18741	1.0
249.18457	1.7
252.20811	2.2
254.18834	1.2
268.20322	5.9
280.68173	1.1
281.19794	11.8
295.21500	1.4
299.20807	4.5
312.77423	1.2
323.10159	1.9
323.13867	9.4
325.18924	2.8
341.10901	3.0
350.22046	4.5
367.27216	1.6
368.23071	35.4
381.28687	2.0
382.24426	1.9
407.26630	1.9
410.27600	1.9
436.29160	1.6
490.33713	1.9
533.38416	1.6
565.36987	2.5
577.37231	100.0
611.26886	2.2
611.35925	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88177	50.2
62.82458	55.9
80.21815	59.4
97.32825	61.8
100.63103	59.0
103.39160	66.6
176.56740	68.3
192.95949	71.8
329.00833	88.1
356.62125	78.9
421.69373	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26670	0.7
55.75554	0.6
57.54586	0.9
58.00442	0.8
58.99970	1.2
59.01243	92.0
59.02373	1.6
66.32320	0.7
67.22386	0.8
77.67501	0.8
84.43053	0.8
93.03307	2.0
96.95876	1.6
97.72391	0.8
106.89017	0.7
107.04925	1.1
108.02050	1.4
109.02825	2.3
116.54478	1.0
121.02826	15.5
122.03603	8.9
123.04398	2.9
124.01552	1.2
133.02809	1.7
135.04395	2.0
136.05222	1.4
137.02351	1.5
138.03183	0.9
145.02806	1.5
146.03616	2.2
147.04411	2.0
148.95963	0.8
149.02330	44.7
150.03119	49.9
151.03874	2.8
161.06076	2.1
162.03119	3.4
163.03926	2.3
164.04704	15.4
165.01823	5.8
165.05475	54.9
167.03439	2.7
172.26820	1.9
174.03163	0.8
177.05450	3.0
178.02579	1.1
179.03415	3.9
180.04210	16.0
181.04979	3.0
191.05540	9.2
193.04968	5.2
194.05823	2.6
195.06560	60.2
205.05006	3.6
219.06685	1.3
227.07191	1.0
228.88509	1.1
238.06323	2.3
241.08691	1.4
258.93390	0.9
270.08984	9.9
281.04520	1.2
285.08548	0.9
285.11411	4.5
291.44308	1.1
297.07718	3.7
299.09384	2.5
309.04153	2.9
311.13040	1.9
313.07144	1.4
328.09555	7.5
343.11896	100.0
344.12149	2.4
357.08850	0.9
357.13550	3.1
391.13980	20.4
411.14282	1.0
417.16055	1.0
505.19080	7.3
553.21106	2.8
565.20959	5.9
613.23273	1.2
625.88257	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37493	0.8
51.65623	0.8
57.04270	1.2
59.01252	0.9
61.98690	2.7
73.12608	1.2
78.95764	1.3
81.97687	1.2
85.03934	3.9
87.05466	5.3
89.04684	1.0
94.06458	1.4
96.95909	1.5
97.03918	1.6
97.41830	1.4
109.02805	1.8
113.03446	4.2
115.08650	6.3
123.04409	1.1
129.10240	2.6
137.53899	1.1
139.08600	1.3
140.07048	4.4
153.10260	2.4
155.08124	3.9
155.11806	5.1
165.10294	5.5
167.08200	2.6
174.25476	1.2
181.09747	1.6
182.12914	6.2
183.11366	1.6
184.10933	5.9
191.33006	1.4
195.06613	1.3
197.16563	4.7
197.97008	1.2
200.13983	8.5
205.14676	1.0
211.14603	2.1
228.17139	1.5
242.18611	1.3
252.20692	2.0
254.06847	1.3
265.53894	1.1
268.20264	5.3
280.16507	1.3
281.19791	10.7
297.13437	10.1
299.20914	3.7
311.11261	1.8
319.91855	1.3
325.18854	2.1
327.20462	1.5
350.22134	1.7
368.23056	28.5
381.15057	1.1
381.29230	1.3
407.26544	2.1
410.27887	1.8
478.94458	1.2
577.37256	100.0
578.37585	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	613.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57209	0.5
57.62003	0.8
59.38200	0.5
61.97472	1.9
61.98693	100.0
62.00080	1.3
67.23752	0.5
88.27004	0.5
91.72893	0.7
92.59341	0.5
177.95743	0.6
408.34372	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46339	0.9
50.46563	0.4
57.48454	0.5
58.02849	5.5
59.01232	0.7
61.98678	1.7
66.03342	0.6
72.00738	0.6
74.02332	10.8
81.04426	0.5
82.02831	1.8
84.41494	0.5
86.02338	5.6
86.05983	0.9
86.98985	0.6
87.00735	0.5
87.05495	2.3
90.00026	1.7
96.95879	1.2
97.03922	0.8
99.05492	11.5
101.07045	1.5
102.05449	1.5
107.06052	0.5
109.03935	1.2
109.07578	0.6
112.03894	1.3
116.01628	0.8
123.05484	0.8
124.03925	0.8
125.03432	1.1
126.01876	0.5
127.05032	2.4
128.03410	29.7
129.99545	0.9
131.04500	0.9
135.05547	2.7
137.07088	0.7
141.06593	3.0
143.04510	46.7
145.06088	2.1
146.04460	4.1
150.14494	0.5
151.40045	0.6
153.06590	3.3
155.08197	1.1
160.00635	12.9
166.09769	1.7
167.04543	3.8
167.08150	1.5
171.07648	1.1
177.03316	4.0
179.04550	9.5
181.06113	1.4
185.05594	1.2
192.07700	0.7
197.05618	1.5
198.08862	1.0
210.08783	8.4
242.07973	1.2
254.07843	10.1
272.08893	17.0
273.09229	0.7
288.06607	6.9
306.07675	100.0
307.08054	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69129	0.7
56.01334	0.8
57.03314	1.1
57.31211	0.6
58.00465	1.9
59.01228	0.8
63.39857	0.5
65.00178	0.8
67.01750	0.8
68.99677	1.8
72.99166	20.7
75.00739	1.3
81.03328	1.1
83.01244	9.4
85.02787	0.8
87.00742	1.5
91.01760	0.8
91.09452	0.7
93.03324	4.7
96.95879	0.8
99.00761	1.7
107.01247	1.8
107.04881	6.6
109.02831	4.6
119.04889	1.9
121.02819	1.4
123.04357	1.4
125.02316	35.1
126.02585	0.7
129.25955	0.6
131.04927	1.7
133.02832	3.3
135.04413	2.4
137.05933	0.7
137.21065	0.6
147.04401	2.7
149.02322	3.2
149.05971	5.1
151.00270	10.8
153.01828	84.2
154.02127	0.9
163.03888	1.3
165.05475	43.1
165.17787	0.7
167.03317	1.1
169.01289	0.7
177.01852	2.0
178.99756	3.4
179.03418	12.5
191.03732	0.7
193.05034	8.1
195.02986	1.6
199.66899	0.7
211.06244	0.8
223.27843	0.7
246.00969	0.6
255.05109	100.0
256.05438	1.6
287.07736	1.8
314.63971	0.7
315.07227	6.0
342.29880	0.6
359.06229	50.0
360.06601	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87711	0.4
53.17557	0.8
57.03304	1.5
59.01235	0.9
60.96510	0.4
69.03326	0.6
75.85915	0.4
81.03314	1.7
83.01241	2.0
85.02805	0.7
92.56863	0.4
93.03298	1.5
95.01270	0.5
95.04891	2.5
96.95855	1.4
97.02800	5.0
99.00747	0.6
107.04918	0.5
108.02028	0.5
108.99789	0.5
109.02812	21.0
111.04354	0.6
119.04892	25.0
120.05190	0.5
121.02800	3.1
122.03589	1.4
123.00676	0.5
123.03502	0.9
123.04388	14.2
125.02312	14.3
126.02551	0.5
135.04373	1.8
137.02319	8.0
138.03078	1.2
139.03882	3.3
145.02864	0.6
146.03580	0.8
147.04416	0.6
149.02313	3.9
150.03101	0.8
151.03894	8.9
159.04402	1.6
160.05151	1.4
160.75641	0.4
161.02280	1.1
161.05988	4.1
162.03105	1.6
163.03902	28.9
164.01004	2.4
164.04189	1.0
165.01816	3.9
165.85878	0.4
167.03380	1.7
173.05965	0.5
174.03130	0.9
174.06676	0.5
175.02538	0.5
175.03925	2.1
175.07533	1.7
177.05414	0.6
179.03380	5.8
185.05994	0.8
187.03929	3.2
188.04681	3.4
199.07635	0.6
201.05486	0.6
202.06323	2.2
203.07068	12.1
205.05000	7.8
212.04886	0.4
217.08612	0.6
221.08180	3.2
227.07108	1.8
230.05721	0.9
245.08165	15.2
247.06136	1.0
271.06250	1.1
289.07187	100.0
290.07516	2.7
297.04041	0.4
325.09274	3.8
357.11212	0.4
615.22858	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	0.2
58.96697	0.1
59.01246	1.0
59.50458	0.1
59.97375	0.1
61.66710	0.1
67.01732	0.2
71.01238	0.6
71.12509	0.1
72.99164	0.4
73.02815	0.3
79.95589	1.0
81.03322	0.4
83.04877	0.5
85.02802	7.8
87.00738	1.5
93.03313	2.4
99.04385	0.4
100.19553	0.2
101.02290	0.3
102.75129	0.2
103.42357	0.1
109.02814	0.8
111.00728	0.2
111.04379	1.0
119.85995	0.1
121.02781	0.1
127.03863	2.1
129.05414	0.2
137.02309	0.2
155.03403	0.3
170.36743	0.2
171.02898	0.4
173.04480	0.9
190.07890	0.1
190.98730	1.1
191.05531	100.0
191.13287	0.7
192.05894	1.5
215.14291	0.2
243.13898	0.4
287.12888	0.9
299.07138	0.2
331.12103	0.2
349.13104	0.4
367.13947	1.9
423.13025	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15770	0.1
57.03303	0.3
57.59531	0.2
59.01241	1.0
67.01742	0.2
68.67193	0.2
69.03305	0.2
71.01225	0.5
72.99151	0.5
73.02798	0.3
77.28010	0.2
83.04861	0.3
85.02803	8.1
87.00733	1.5
90.20502	0.2
91.85058	0.2
93.03310	2.9
97.02819	0.3
99.04373	0.3
101.02287	0.4
107.28884	0.2
109.02813	0.7
111.04369	1.2
113.02293	1.0
125.02326	1.2
127.03870	2.0
138.57094	0.2
141.01712	0.2
167.32272	0.2
171.02910	0.6
173.04474	0.9
189.07710	0.2
191.05531	100.0
191.12303	1.1
192.05908	1.4
263.40433	0.2
294.57547	0.2
345.00400	0.2
355.18658	0.4
367.14029	1.4
423.13135	0.8
569.69836	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	615.2464
Annotation	3-Vinylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
59.01224	6.8
61.98675	3.9
63.92533	1.6
71.01236	2.8
71.08707	1.6
72.18488	1.7
85.02790	8.9
87.00716	2.5
89.02299	1.8
90.73803	2.2
93.03311	2.5
96.95833	6.6
103.55055	1.9
113.02309	5.0
122.06006	3.1
124.00249	3.3
127.03825	2.3
134.05994	6.2
148.03883	6.2
149.04633	2.3
150.05545	3.8
173.04630	3.5
174.04138	4.7
186.05539	3.1
191.05548	86.9
197.07001	2.4
200.07233	3.0
207.09090	2.8
215.08145	6.7
217.09648	1.9
223.08702	8.0
225.06610	2.4
225.10362	2.9
226.07318	3.3
227.08240	8.8
239.11810	2.6
240.05363	5.0
241.06169	7.5
241.09767	12.3
242.06920	15.5
243.07712	7.3
243.11357	2.8
250.07300	2.9
251.08224	13.5
252.09056	6.3
253.06117	6.4
253.09772	4.9
254.07047	10.6
255.07745	49.8
255.10536	3.2
255.11490	2.8
256.08481	13.7
257.09204	4.8
264.08994	7.9
265.09839	19.8
266.10629	70.2
267.07712	5.6
267.11264	8.7
268.08539	11.3
269.09338	65.9
270.10114	29.2
271.10733	3.6
283.10876	12.4
284.11685	26.4
285.12396	9.3
314.09332	20.2
315.09854	10.0
315.13571	5.3
327.10068	9.5
328.10785	4.9
329.11456	12.6
330.12155	2.4
333.20370	2.5
343.09430	3.2
343.13580	2.3
344.10162	2.3
344.14078	4.7
358.11865	5.6
358.15872	2.7
361.10672	5.8
362.11395	6.2
372.09232	2.9
372.13565	38.1
376.12869	11.2
377.13693	7.5
386.15179	18.8
387.15924	43.0
388.16650	9.5
390.14590	3.2
405.16937	9.1
406.18103	3.2
434.13333	3.1
435.17926	4.3
448.15091	7.8
449.15970	53.5
450.16223	9.7
453.24844	4.3
454.07751	2.5
480.17703	8.0
494.19321	100.0
597.23273	3.8
615.24481	91.4
616.25195	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	615.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41797	15.9
59.01233	75.6
61.66767	20.4
71.01241	32.0
86.89896	18.2
89.02290	34.5
89.08463	21.9
113.02296	25.8
119.03376	48.4
119.28140	20.3
129.08557	22.3
135.04414	31.7
147.23056	22.1
179.05556	40.9
190.13597	21.5
191.05577	63.3
255.23351	100.0
323.09967	49.5
341.10901	65.5
422.63635	23.6
480.50867	26.1
495.98795	25.7
579.34131	82.0
615.31427	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2588
Annotation	azadirachtin I
Peak:m/z	Relative Intensity
57.03336	3.3
59.01245	31.7
71.01236	20.6
73.02796	12.0
73.67915	3.1
75.22510	3.5
83.01243	5.8
85.02787	14.7
85.54340	3.3
89.02298	11.7
93.42596	3.7
96.04436	3.9
96.95869	14.3
101.02289	20.5
107.36126	3.4
113.02322	11.2
113.21231	4.1
117.66808	3.3
119.03313	5.8
120.64450	3.4
121.02782	5.7
130.78961	4.3
146.05972	4.6
151.03909	5.2
161.04480	6.6
162.53610	4.2
173.04341	8.3
179.65610	4.0
209.04521	4.6
226.07248	4.1
227.08171	3.9
241.09888	18.4
269.12976	7.1
289.16870	4.4
366.18430	7.2
435.22467	24.9
454.19965	4.5
546.48883	4.7
557.24353	45.6
573.29016	11.6
575.27472	10.9
581.28217	87.6
617.25879	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81819	0.3
57.94723	0.3
59.01247	0.7
71.01230	1.0
72.78397	0.9
72.78744	0.4
78.00625	0.4
97.83675	0.5
101.32425	0.4
121.05238	1.8
122.05968	0.6
124.07549	1.2
134.06020	4.4
136.07562	27.5
137.07819	0.4
138.09137	2.3
145.07565	0.9
151.18831	0.4
155.36494	0.4
157.07559	0.9
158.08337	0.5
162.05502	9.1
164.29364	0.4
171.09250	0.4
173.10767	6.9
184.09981	1.0
185.10793	5.4
191.05664	0.4
197.07025	0.9
197.10786	13.5
198.07928	1.0
198.11433	1.3
199.08707	15.4
200.08948	0.5
209.10794	0.4
210.11671	0.8
211.08815	0.5
211.12456	1.0
212.13162	0.9
213.13919	27.0
214.14476	0.5
221.10812	1.0
223.08786	1.1
224.09219	0.5
225.10413	1.9
237.10384	3.2
238.11124	3.2
239.11879	100.0
239.21260	1.2
240.12308	2.6
252.11362	1.7
257.12994	1.1
264.11441	0.7
265.12189	0.5
265.17084	1.4
278.12952	1.1
279.13757	1.6
289.13412	0.6
291.13788	2.4
292.14734	0.8
293.15085	0.7
293.20239	1.5
304.15689	0.5
305.15707	0.4
306.16095	1.1
307.17014	1.1
308.17719	27.9
309.17871	1.1
317.11926	0.9
318.12491	3.2
318.15930	0.6
319.13730	0.6
319.18027	2.7
320.14313	0.6
320.17746	6.4
332.14133	2.0
332.17596	0.6
333.14844	6.0
334.19202	1.0
336.16785	0.5
336.20831	9.4
337.21356	0.4
344.17761	1.2
345.14917	1.3
347.16504	2.3
360.17175	6.1
362.18784	92.9
363.16177	1.4
363.19031	2.4
376.16669	1.2
378.18317	1.9
380.19818	54.3
381.20041	1.6
392.19858	7.4
393.19864	0.5
406.17773	31.2
407.17596	1.3
408.18564	0.6
410.20901	10.1
424.18811	56.8
425.19113	2.4
436.18842	7.1
454.19928	7.6
515.09650	0.5
543.26129	14.0
544.26013	0.8
573.27271	3.9
587.25171	27.2
588.25214	1.7
617.26251	17.0
618.26624	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23394	1.1
50.62675	1.0
59.01234	1.6
61.12746	1.1
75.67171	1.1
82.02831	5.1
101.44621	1.1
120.04403	2.1
120.13815	1.2
129.05554	1.3
136.07532	2.4
147.03192	2.8
148.03922	18.7
149.04724	11.8
150.05502	23.3
150.09128	4.9
152.02225	1.5
154.05026	4.2
160.03958	3.3
161.04758	8.0
162.05460	2.8
163.02690	2.2
164.03438	8.3
173.03467	8.5
173.04735	1.9
174.04240	27.5
174.05518	2.2
175.02654	1.9
175.05025	6.1
175.06331	5.1
184.93573	1.2
186.05565	1.6
187.06291	2.6
188.07135	1.7
189.06606	11.2
189.10326	1.2
189.67209	1.1
190.04935	1.2
190.07391	31.3
191.05818	2.2
191.08197	1.7
200.07097	3.6
201.07877	3.6
202.07356	3.6
202.08846	3.1
203.05904	2.1
203.08142	2.1
214.10980	2.3
215.08084	1.3
217.07527	3.0
217.09814	2.9
231.07733	11.2
232.08505	47.1
233.09285	6.1
241.09969	2.4
242.08205	3.8
242.10693	2.9
243.07567	1.6
243.09192	1.6
243.11342	1.7
244.08295	14.6
244.12149	1.2
245.09309	4.7
257.61203	1.4
259.10867	1.2
261.08618	1.5
262.09674	2.2
267.07834	1.8
268.08600	2.0
269.09247	1.6
285.08789	3.9
286.09671	10.4
289.09598	4.3
299.14087	14.5
304.10712	2.7
324.13559	6.4
325.11981	2.9
337.10577	1.5
382.17715	32.4
393.18140	2.6
394.17880	6.7
395.15698	2.6
412.18716	3.8
418.17700	2.7
436.18781	20.1
437.16959	6.4
449.15732	1.8
454.19864	100.0
455.20203	2.0
462.19937	1.5
467.16965	9.4
490.89740	1.4
545.23907	5.3
575.25317	2.2
599.25507	5.9
617.26233	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13693	1.9
57.90406	1.8
59.01214	2.2
61.98685	16.6
74.86538	2.1
83.22260	2.1
96.95850	6.0
108.02045	6.8
109.02831	7.2
120.02049	5.7
121.02803	3.3
123.04379	5.5
124.01524	10.4
125.02294	4.5
132.02036	5.7
135.04468	2.9
136.01485	3.1
137.02312	13.1
138.03130	5.7
139.00252	3.4
139.03920	9.1
145.02800	3.5
147.00848	2.5
148.01553	7.2
149.02362	7.8
150.03117	5.7
150.98955	2.2
151.00256	8.3
151.03906	18.3
152.01039	64.3
152.04633	2.8
159.00787	5.4
159.04395	3.2
160.01567	11.8
161.02328	13.0
162.03104	6.1
163.03909	3.2
165.01726	2.7
166.02635	7.8
167.03403	85.9
175.03972	4.2
176.01051	54.0
176.04703	4.7
177.01836	8.7
177.05493	3.5
178.02542	5.3
179.03409	6.3
180.04265	2.9
180.53423	2.2
182.46098	2.4
190.02658	9.8
191.03430	31.8
192.04196	3.1
193.05019	5.0
194.02184	8.4
195.06575	3.1
205.05034	11.3
209.04436	15.4
217.05016	4.2
233.11934	2.8
235.06142	3.4
259.09836	3.9
285.07730	5.5
301.07312	3.4
344.08942	3.1
350.72202	2.4
357.10019	11.0
359.11435	9.5
372.08469	3.7
373.09286	2.6
387.10867	100.0
388.11530	24.0
389.12451	46.3
598.44275	2.6
619.25366	39.1
644.71814	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	619.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01200	0.7
53.10189	0.7
63.57448	0.8
65.91482	0.7
71.82012	0.9
75.97814	0.8
78.41017	0.8
78.95757	2.9
80.10661	0.8
81.37253	0.8
91.86572	0.9
93.91453	0.8
96.95864	3.7
114.92500	1.9
148.33426	1.1
163.27817	1.0
208.78706	1.0
255.23271	1.2
401.14304	3.5
415.15576	3.8
416.16418	14.3
417.16803	1.6
429.17047	2.5
430.18051	3.2
431.18307	1.6
444.15808	1.5
458.17419	1.3
459.18298	100.0
460.18234	4.6
473.19855	18.4
474.20520	5.7
498.38525	1.2
501.19785	2.5
503.17587	2.5
511.17142	2.6
517.18921	2.2
518.19580	46.4
519.19928	3.2
532.20990	7.5
533.21985	73.7
534.22247	3.7
547.14734	1.9
583.12390	3.8
587.23260	5.8
619.10663	7.3
619.25684	63.7
620.25690	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	619.2566
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.44088	0.7
52.65648	0.8
55.48434	0.6
59.01250	0.8
78.95751	3.2
96.95846	3.7
114.92493	1.8
152.99478	3.2
156.48030	0.9
255.23244	1.1
273.22229	1.9
279.23343	1.2
280.23618	1.5
301.03799	1.1
317.21246	2.5
323.87927	1.0
401.14127	1.7
415.15485	4.5
416.16492	16.1
417.16818	1.2
429.17545	1.9
430.18088	3.0
431.18298	1.3
443.15237	1.1
444.15970	1.0
458.17325	1.4
459.18295	100.0
460.18936	5.6
473.19778	15.9
474.20547	6.1
485.15759	1.5
487.17603	1.4
501.19211	2.0
503.17081	2.4
511.16809	1.5
517.18695	1.7
518.19611	45.8
519.20001	2.2
532.21014	6.9
533.21991	78.4
534.22107	3.6
543.20398	1.2
547.15051	1.5
583.12451	2.7
587.23047	6.7
619.10754	7.3
619.25635	71.0
620.10333	1.4
620.25732	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	619.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	5.9
62.33770	0.7
71.01234	3.2
72.85495	0.8
73.02808	1.4
79.05739	0.8
85.02815	2.0
89.02287	1.9
95.03611	1.6
96.31229	1.0
96.95863	1.2
98.78774	0.9
101.02287	1.8
110.05984	4.9
113.02284	1.8
119.03320	1.3
120.08032	2.1
121.05228	1.2
123.06747	1.6
124.07536	10.1
128.03421	1.1
130.25323	0.9
134.05969	3.1
136.06584	1.7
136.07561	27.6
138.09123	57.1
145.07590	2.3
157.07620	2.1
158.18530	1.1
162.05484	4.0
164.10583	1.3
166.12265	2.5
171.50757	1.0
173.10721	10.3
185.10721	1.9
186.11504	1.7
191.05550	1.1
197.07190	5.3
197.10782	2.5
198.07892	1.9
199.08713	29.9
199.12346	4.4
201.13902	20.9
208.61018	0.9
209.10744	1.3
210.11322	1.4
211.08720	1.1
213.13895	4.4
215.08255	1.8
217.09727	1.4
225.10294	45.3
227.11859	33.8
235.43958	1.1
237.10178	1.1
239.11873	38.6
240.12656	11.6
241.13469	8.4
243.11346	2.1
244.73059	1.1
245.12943	8.0
253.09653	1.2
257.13022	5.3
258.13840	1.4
269.09155	1.7
271.10873	18.4
289.11902	3.0
310.19110	1.1
333.20749	3.9
338.22275	1.1
357.20828	1.1
364.20364	30.3
365.20932	1.1
375.21625	2.8
382.21301	11.2
408.19315	100.0
409.19458	3.1
412.22528	1.7
419.20480	2.3
426.20389	55.3
427.20630	1.8
438.20337	12.5
456.21375	27.0
457.20624	1.0
496.24246	1.0
589.26740	55.3
590.26886	3.4
619.27753	35.8
620.27936	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	619.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.6
55.15415	0.4
55.27531	0.3
56.38968	0.4
57.03306	0.9
58.00450	0.6
59.01243	14.8
61.98688	0.7
69.03321	1.0
70.27034	0.4
71.01238	10.3
72.99179	1.2
73.02804	10.0
75.00726	0.8
83.01256	1.8
83.04868	0.7
85.02803	4.7
85.03237	0.5
85.99960	1.4
87.00731	6.4
87.04362	2.6
89.02303	3.4
96.95900	0.9
97.02849	0.7
99.00734	1.1
99.04411	0.5
101.02300	7.0
103.03884	1.8
111.08030	1.3
113.02328	1.7
113.09612	0.8
115.03883	5.1
116.92740	1.9
116.97119	2.3
117.01834	1.1
119.03375	0.8
125.02329	1.2
125.09635	0.5
131.03371	6.7
143.03391	6.7
145.02786	0.9
145.04903	0.9
153.12769	1.8
157.08612	12.3
163.06065	1.1
171.10188	2.8
181.08690	0.6
185.11755	1.6
187.09657	2.6
197.11790	0.6
205.07088	3.2
214.67792	0.4
275.20212	1.2
293.21234	11.8
311.22260	3.6
473.27664	1.5
499.27078	0.6
576.31134	0.8
619.33435	100.0
620.33789	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	620.377
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97417	2.1
61.98695	100.0
76.57460	1.4
78.95789	2.0
82.78171	1.6
85.61404	1.6
123.60387	1.9
124.36335	1.8
223.02121	2.0
265.18576	1.8
332.05054	2.2
333.39944	2.1
456.07715	2.1
545.54791	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	621.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78865	0.7
57.03029	1.9
57.03317	39.6
58.00457	1.0
58.99997	1.8
59.01242	92.6
67.33575	0.7
69.03304	3.8
70.99626	0.9
71.01239	55.7
72.99179	2.1
73.02808	9.8
79.20100	0.8
81.03310	5.9
82.95271	28.8
83.00814	1.1
83.01246	6.5
83.02399	1.3
85.02811	14.7
87.00729	4.0
89.02296	54.3
89.04320	1.0
93.03325	1.1
95.01260	4.7
96.95898	1.4
97.02811	8.0
99.00758	2.6
99.04378	47.1
101.02301	47.5
113.02307	32.6
119.02506	1.0
119.03368	26.6
123.00746	12.1
125.02314	68.2
131.03339	5.2
137.02362	1.9
138.03123	18.6
139.03886	2.6
143.03392	11.2
145.04932	1.4
149.04433	3.8
153.05449	7.2
161.04422	14.1
161.05653	1.5
167.03395	1.7
179.05510	19.6
179.96585	1.8
203.05615	2.5
206.93890	1.0
221.04565	1.5
221.06631	14.9
233.06664	1.0
245.06679	3.2
263.07709	7.7
283.46793	1.0
298.73734	1.0
305.08810	20.9
323.09851	100.0
324.10028	1.6
365.10886	13.6
459.14978	5.3
477.16098	21.8
478.16760	1.1
518.86230	1.2
519.17224	5.1
621.20380	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	621.204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34882	1.0
54.94434	1.1
55.01740	1.8
55.48687	1.1
57.03318	36.3
59.00137	1.2
59.01243	72.7
60.28896	1.2
69.03313	4.2
71.01237	46.7
72.99168	3.0
73.02802	10.0
76.44431	1.3
81.03304	4.2
83.01241	4.2
85.02795	14.0
87.00723	2.4
88.03893	3.5
89.02295	47.4
90.03146	1.3
91.73360	2.0
93.03297	1.7
95.01264	2.6
97.02795	6.6
97.12913	1.2
99.00735	4.0
99.04378	42.2
101.02298	45.7
107.04916	2.1
109.71667	1.5
111.04418	1.6
113.02314	25.2
115.00267	2.2
115.94373	1.4
119.03366	27.0
119.97849	1.3
120.02036	6.1
121.14153	1.2
123.04333	1.6
125.02314	58.0
131.03374	5.2
137.02376	3.2
138.03122	11.1
143.03421	8.2
149.04454	4.2
153.05463	77.6
161.04440	11.3
165.38512	1.4
167.03412	2.9
173.04460	6.4
179.05537	19.3
179.96587	1.8
203.05609	2.6
221.06628	16.9
263.07663	8.2
297.07635	1.6
305.08963	12.0
323.09863	100.0
365.10794	17.1
391.79782	1.7
403.65225	1.7
445.99481	1.5
477.16370	2.8
621.20190	4.3
622.23639	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	621.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46412	3.5
59.01231	5.6
61.98701	24.7
68.23595	3.9
78.41992	3.3
78.95758	3.9
91.72682	6.2
96.95872	8.5
152.01024	12.3
161.02391	4.9
162.03119	92.4
162.31049	3.7
163.03889	5.5
167.03398	12.6
176.01089	8.1
177.05487	100.0
178.85316	4.3
180.04190	6.2
193.04984	8.2
195.06586	8.6
247.13348	4.7
387.10931	12.9
577.32056	7.5
621.27808	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	621.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01226	0.5
61.98693	0.6
64.07079	0.5
65.16651	0.5
71.01254	0.6
85.10542	0.6
108.02051	2.0
109.02795	1.4
113.07309	0.7
119.72226	0.7
121.02805	1.0
123.04351	1.8
124.01519	0.6
125.02338	0.7
134.03630	1.0
135.04420	3.1
145.02823	2.1
146.03624	69.0
147.04359	3.1
150.03087	3.7
151.03906	1.1
160.74062	0.7
161.05989	20.8
162.03093	0.9
163.03911	3.0
164.04691	48.8
165.05455	3.5
170.17957	0.7
177.05411	1.2
178.02599	0.9
179.07054	100.0
180.04202	1.1
180.07385	1.8
182.06035	0.8
193.04974	2.0
195.06561	2.0
245.11861	1.4
257.11877	2.9
282.12402	0.9
341.56805	0.8
360.13602	1.3
375.16138	1.7
381.17133	0.8
390.14603	1.4
393.17197	8.6
405.17334	3.7
411.18011	2.4
423.18161	6.6
437.16742	0.8
441.19315	5.4
454.59528	0.8
477.69376	0.8
501.11990	0.8
603.25952	2.3
621.27148	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13968	1.7
53.80984	2.0
59.01242	4.1
61.98700	16.9
72.47972	2.0
78.49503	1.9
80.39474	2.5
93.03278	2.6
95.01257	2.1
107.04893	3.1
108.02055	5.9
109.02820	8.3
116.15748	2.2
119.04843	2.7
121.02818	5.5
121.25193	2.4
123.00758	6.0
123.04412	6.1
124.01534	10.3
125.02316	10.3
131.04922	5.1
133.02829	8.2
134.66141	2.2
135.04404	4.7
136.01530	13.8
137.02312	16.2
138.03134	5.4
144.85796	2.3
145.02817	3.4
147.04417	7.0
148.01630	4.4
149.02319	3.7
149.05984	6.7
151.00244	9.2
151.03917	35.1
152.01039	10.0
159.04454	4.4
160.01563	7.6
161.02393	8.3
162.03143	40.2
163.03947	16.1
163.07574	3.9
165.01955	2.7
165.05428	4.1
166.02618	7.0
166.91072	2.5
167.03398	10.7
174.03008	2.5
175.03932	3.8
176.01064	17.1
177.01840	7.5
177.05495	12.8
178.02605	7.9
179.03444	19.1
180.04193	76.1
187.03917	3.5
190.02609	3.9
191.03383	14.2
192.04312	3.4
193.05043	9.1
194.05640	3.7
195.06563	84.0
205.04965	2.8
209.04482	6.6
217.12317	3.7
220.03830	3.0
231.10239	3.4
235.06229	3.4
237.05659	3.0
263.13010	3.1
265.08676	3.3
279.12479	22.0
281.08231	3.5
297.11285	2.7
327.08572	2.8
356.08966	3.3
357.09738	13.9
358.10495	4.2
367.15649	5.8
371.11340	11.7
372.12161	17.7
373.13013	16.4
379.15585	12.1
392.16348	4.3
410.17340	10.1
415.17746	6.4
425.19760	100.0
426.19818	4.9
621.27136	49.5
640.65308	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	621.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	8.6
61.98695	9.5
63.80266	4.9
76.86898	4.9
84.05777	4.4
93.03331	6.7
121.02837	6.3
123.00797	5.9
124.01544	9.6
137.02312	14.1
148.01563	6.7
150.03136	9.7
151.00186	6.2
151.03928	14.8
152.01036	45.8
160.01550	14.8
161.02412	11.5
162.03178	7.3
163.03896	6.0
164.04669	6.2
167.03427	56.5
176.01074	50.9
177.01888	12.7
177.05534	9.3
178.02617	67.1
179.03467	7.3
180.04135	7.1
190.02611	11.1
191.03377	27.5
191.07071	7.7
192.04311	8.2
193.04970	81.7
194.02191	6.3
195.06456	6.3
205.05051	8.5
209.04507	6.5
209.96213	5.4
217.00255	8.3
289.05389	5.9
352.93210	6.2
357.09729	36.1
372.12149	24.3
373.13068	8.7
374.99109	9.6
387.06097	4.7
387.10809	100.0
388.11374	9.2
621.27228	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03353	0.7
50.58585	0.6
50.88953	0.7
59.01235	1.0
64.32070	0.8
67.80344	1.0
78.36174	0.8
88.50507	0.8
108.02037	1.8
109.02870	1.1
121.02804	1.3
135.04407	2.9
145.02853	1.8
146.03622	68.6
147.04384	3.4
149.02333	1.0
150.03131	4.3
161.05972	21.9
163.03885	1.6
164.04691	49.0
165.05447	3.8
165.90329	0.8
173.06140	1.1
179.07047	100.0
180.07382	1.3
201.54735	0.9
222.72092	0.9
227.47249	0.9
245.11905	1.3
257.11862	3.8
317.14328	0.9
360.13834	1.7
374.99185	1.1
375.16092	2.2
393.17212	7.0
405.17099	3.9
411.18088	1.5
423.18219	4.5
432.36261	1.1
441.19229	3.6
613.57715	1.1
621.26587	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01656	2.3
59.01241	3.4
61.98690	5.2
66.73196	2.3
78.44562	2.2
100.34611	2.7
101.64326	2.4
108.02015	6.4
109.02821	2.8
111.00732	3.3
115.20872	2.9
120.02024	3.5
122.03513	2.7
123.00704	4.0
124.01518	9.0
132.02075	5.9
135.04341	3.9
136.01549	3.4
137.02306	8.1
138.03065	4.2
139.00269	3.0
139.03889	7.4
148.01550	7.7
149.02328	5.4
150.03107	5.5
151.00214	5.2
151.03922	22.7
152.01042	58.0
160.01575	14.8
160.09985	2.7
161.02371	14.6
163.03931	4.8
165.05481	4.0
166.02675	9.4
167.03404	75.4
175.03871	7.2
176.01070	53.7
177.01862	10.2
178.02628	6.6
179.03389	4.5
190.02652	9.1
191.03453	37.3
193.05045	7.6
194.02139	6.6
195.06583	4.3
202.02513	3.3
205.04988	5.1
206.05852	2.9
207.06567	3.1
209.04535	11.1
242.25502	3.1
344.08890	3.2
357.09808	10.5
359.11334	3.3
372.12427	5.0
374.99109	3.7
387.10898	100.0
388.11725	17.0
441.48312	3.6
621.27069	84.8
622.27209	4.2
631.96039	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	621.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24802	0.3
55.09210	0.4
55.84242	0.3
58.73886	0.3
62.44581	0.4
78.95771	0.9
88.66892	0.4
88.91227	0.4
113.33421	0.4
119.04922	0.4
131.93896	0.4
133.07797	0.5
147.78427	0.5
160.84076	0.6
186.35075	0.4
197.07210	0.6
221.28532	0.4
294.43170	0.4
343.22934	0.9
366.63513	0.5
417.17276	0.5
431.14517	0.9
445.16852	3.1
446.17453	3.8
459.22418	3.8
460.19061	12.9
461.19858	27.6
462.20068	1.3
474.20645	1.6
475.21375	5.1
476.21628	0.5
512.96301	0.4
519.20447	15.3
520.20996	1.6
533.22150	1.6
534.22968	0.5
606.24933	0.4
606.60468	0.5
621.27234	100.0
622.27405	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	621.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34417	0.2
63.19652	0.2
64.15163	0.2
71.54729	0.2
77.06245	0.2
78.95773	0.4
88.90193	0.2
93.26289	0.2
93.50568	0.2
104.81816	0.2
108.02036	0.8
121.02827	0.5
133.07796	0.3
133.08653	0.2
162.56142	0.2
183.63274	0.4
183.88559	0.3
190.05045	0.3
205.44260	0.2
211.08788	0.4
219.17455	3.1
223.12408	0.3
245.40504	0.2
263.16531	2.2
290.22650	1.0
291.23322	3.2
304.48206	0.2
326.13013	0.6
335.22290	2.1
395.12924	0.2
403.15668	0.2
417.17252	0.6
418.17944	0.3
429.17099	0.5
430.14612	0.2
431.14102	0.9
432.15652	0.4
433.20642	0.2
445.16727	3.8
446.17456	4.2
459.22452	3.3
460.19031	13.9
461.19843	30.4
462.20258	1.1
474.20633	1.6
475.21359	6.1
476.21979	0.4
487.21570	0.3
503.24573	0.3
505.18933	0.5
519.20361	15.7
520.14093	0.2
520.21082	1.7
533.21936	1.5
534.22620	0.3
535.23126	0.3
561.24591	0.3
606.24792	0.5
621.27228	100.0
622.27484	5.3
638.23608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17477	1.2
59.01231	6.7
61.98695	2.7
62.87306	1.3
78.95760	47.8
96.95854	4.8
96.96822	12.0
110.52979	1.4
123.34317	1.4
127.83556	1.4
130.14828	1.3
152.01036	2.5
152.99475	83.7
167.03273	2.0
171.00543	3.2
215.85316	1.8
223.00087	10.9
241.01178	23.3
250.78099	1.5
259.02213	1.9
292.58701	1.7
295.76340	2.1
305.21347	3.0
305.24884	61.5
315.04846	16.4
320.06128	1.6
395.03510	1.6
477.31656	1.7
621.30469	100.0
622.30658	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	622.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
61.85262	2.3
62.63242	2.5
62.84644	2.2
71.01230	24.3
81.92254	2.5
83.93146	2.7
90.22540	2.8
96.95875	22.6
107.30225	2.5
114.01825	8.6
115.00243	28.5
120.09095	2.6
121.02816	4.0
125.02277	5.5
125.07657	2.6
132.02832	3.1
137.02336	5.1
177.01923	5.2
240.04279	3.5
241.05023	12.7
253.05098	5.0
255.06602	4.8
256.07370	11.0
268.07358	5.8
271.09741	10.7
284.05789	8.6
288.45212	3.7
296.05646	15.1
297.06497	7.7
299.07898	11.8
310.07065	4.7
311.08133	8.1
312.09232	4.6
313.09991	3.2
314.10312	19.6
315.08755	24.1
324.09027	4.6
326.10205	22.0
327.08759	33.9
345.09915	4.5
383.10123	5.8
386.12549	9.8
398.12546	14.7
460.12427	4.6
622.17847	100.0
623.18176	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	622.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.8
59.01241	21.1
61.55850	0.5
71.01238	24.1
72.99168	1.0
73.02798	5.8
83.01228	2.0
85.02795	4.0
87.00742	1.0
88.03893	28.9
89.02304	15.2
93.03305	0.6
96.95898	0.9
97.02846	0.5
99.00729	1.2
99.04385	0.8
101.01643	1.0
101.02301	16.5
106.26535	0.6
111.04407	0.8
111.05963	0.5
113.02304	5.5
115.00236	14.2
119.03356	10.0
119.67747	0.5
123.21964	0.6
125.02299	1.5
131.03340	1.1
132.02895	5.8
137.02290	1.3
142.46251	0.6
143.03391	1.1
149.04474	0.8
153.05508	0.6
161.04462	7.5
161.95039	0.5
164.10783	0.9
173.04439	2.3
179.05502	2.1
221.06625	1.8
236.12886	2.3
254.13965	1.4
293.08920	0.9
298.86551	0.6
301.16507	2.6
323.09839	1.1
344.16895	0.9
345.15366	1.1
416.19400	1.1
506.22467	4.1
507.20712	9.1
578.24512	1.2
604.22546	3.3
622.23578	100.0
623.23914	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	623.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91158	0.2
55.95153	0.2
56.22595	0.1
57.19674	0.1
58.85354	0.2
59.01257	0.2
63.02253	0.3
65.00186	0.6
83.01239	0.3
101.03859	0.3
101.20329	0.2
104.36455	0.2
107.01254	0.9
107.61053	0.3
107.61656	0.3
108.01996	0.4
124.01547	0.3
125.02293	0.3
135.00735	0.4
143.04884	0.4
145.02832	0.6
148.01553	0.3
151.00259	4.5
153.01833	0.3
155.04918	0.4
157.02859	0.2
159.04411	0.3
161.02362	0.2
163.00273	1.1
164.01065	0.5
169.01387	0.2
169.02843	0.3
171.04410	0.8
173.02361	0.2
174.03174	0.2
178.99768	0.3
183.04422	1.5
185.02359	0.3
187.03955	1.0
188.04590	0.3
189.01817	0.3
190.99805	0.3
192.00644	0.2
199.03946	5.1
200.04544	0.3
201.01868	0.6
202.02638	0.4
203.03473	0.7
204.04286	0.3
205.05037	0.3
211.03967	1.0
213.01898	0.2
215.03421	2.5
215.05312	0.2
216.04243	0.4
219.06607	0.3
226.02690	1.2
227.03456	5.2
228.04131	0.5
229.01459	0.4
242.02184	3.6
243.02972	26.9
244.03696	1.8
254.02238	1.4
255.02980	19.4
256.03586	0.9
257.04538	3.9
259.06143	1.1
270.01691	3.6
270.90839	0.5
271.02499	50.1
272.03229	4.8
285.00949	0.3
285.04071	7.0
286.04865	2.0
287.05606	2.6
299.01984	48.0
300.02759	44.4
301.03210	0.9
313.03513	0.8
314.04352	40.7
315.05121	100.0
316.05484	2.8
357.06094	1.1
608.13861	0.2
623.16241	87.2
624.16479	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28704	0.2
54.38243	0.2
55.99474	0.2
56.87001	0.2
57.65176	0.2
59.01232	1.3
63.02248	0.5
65.00179	0.8
71.01234	1.1
76.59706	0.3
78.27489	0.3
83.01241	1.0
85.02814	0.2
87.00713	0.6
89.02313	0.4
91.73037	0.8
101.02307	0.2
101.03842	0.3
104.35857	0.3
104.36407	0.3
107.01265	1.7
107.40898	0.4
107.41494	0.3
108.02026	0.4
111.00684	0.3
115.00237	1.6
119.03333	0.3
120.62215	0.2
122.98820	0.3
124.01511	0.3
125.02326	0.3
139.00238	0.6
142.96545	0.3
143.04884	0.8
145.02837	0.8
147.00713	0.4
150.48482	0.3
151.00255	6.8
152.01025	0.4
155.04892	0.7
155.28029	0.3
157.01353	0.3
157.02837	0.7
159.04337	0.5
161.38155	0.3
163.00230	0.5
164.01176	0.3
167.04900	0.3
169.01398	0.5
169.02809	0.4
171.04448	1.1
175.02409	3.0
175.03824	0.4
178.99817	1.6
182.03702	0.5
183.04436	2.2
185.02365	0.8
187.03870	1.3
198.03171	0.3
199.03922	8.0
201.01932	0.7
203.03439	1.0
211.03934	0.9
212.04750	0.3
213.01945	0.3
215.03410	2.8
226.02646	0.6
227.03441	7.3
229.01350	0.4
242.02232	4.5
243.02959	28.9
244.03406	1.1
254.02248	0.6
255.02974	15.2
256.03461	0.8
257.04538	4.1
259.06021	0.4
270.01669	4.2
271.02484	41.2
272.03033	1.8
285.04059	8.3
286.04776	3.0
287.05603	0.9
298.01099	0.4
298.88080	0.7
299.01965	84.9
299.88541	0.4
300.02673	14.6
301.03061	0.5
313.03571	3.0
313.89297	0.6
314.04330	71.1
315.05069	23.0
316.05579	0.4
324.68253	0.3
339.05176	0.3
443.10016	2.1
444.10684	0.3
461.10675	0.6
623.16205	100.0
624.16583	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	623.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01221	0.6
65.00192	1.1
68.96526	0.4
76.59734	0.8
83.01206	0.5
91.73290	0.8
99.08773	0.4
100.51443	0.4
101.02304	0.4
104.35809	0.6
107.01265	1.4
107.41544	0.9
112.57353	0.4
118.76432	0.5
130.21841	0.4
145.02849	1.3
151.00269	6.2
155.04929	0.6
157.02846	0.6
159.04518	0.6
171.04398	0.6
175.04019	0.6
178.99805	2.7
181.62727	0.5
183.04449	1.4
185.02402	0.8
187.03934	1.3
198.03105	0.7
199.03955	7.5
201.01865	1.7
203.03424	1.0
211.03983	0.7
215.03403	4.4
215.78183	0.4
226.02632	1.0
227.03464	7.2
229.01402	0.7
242.02194	7.5
243.02966	40.4
244.03456	1.0
255.02966	11.2
257.04559	7.7
270.01724	8.3
271.02496	46.4
272.03131	1.3
285.04083	14.0
286.04874	3.3
287.05502	0.5
299.01974	82.0
300.02667	9.0
313.03571	1.3
314.04346	90.2
315.05075	15.2
339.05347	0.7
459.09427	1.4
503.12314	0.6
532.41394	0.6
540.01099	0.5
623.16241	100.0
624.16565	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	623.1626
Annotation	isorhamnetin-3-rutinoside
Peak:m/z	Relative Intensity
57.72033	1.7
59.01240	2.2
61.98680	2.0
71.01241	2.0
78.95770	2.6
85.02794	7.6
87.00723	3.1
93.03314	3.7
96.41138	1.8
96.95826	2.1
109.02810	13.0
115.00261	2.9
115.79914	2.0
121.01723	1.7
121.02794	3.0
145.02840	3.2
146.03557	2.1
147.04460	3.7
151.00288	6.5
152.99387	2.0
171.94911	2.1
175.02361	5.3
175.03899	6.6
191.05540	71.1
199.03970	9.7
215.03397	4.7
227.03474	12.8
239.07135	3.4
242.02174	5.5
243.02971	44.4
244.03745	5.2
255.02971	33.0
257.04626	3.1
267.06683	22.8
268.07272	2.3
270.01794	5.9
271.02518	78.6
272.03177	6.7
284.03424	2.5
285.04050	10.7
299.01978	66.5
299.05420	3.3
300.02756	51.2
314.04355	46.3
315.05133	100.0
316.05710	2.6
331.83493	2.3
333.18631	1.9
356.49179	2.0
357.49109	2.2
431.09961	2.6
447.09625	2.5
448.54852	2.3
492.22815	2.4
499.21255	6.1
543.20093	2.9
587.19232	4.9
623.16217	75.7
624.17206	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	623.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21540	1.6
61.98694	12.6
75.56576	1.6
78.95784	2.8
93.03317	4.4
95.91343	1.7
96.95878	11.8
103.26740	1.9
109.02820	70.0
121.02830	8.1
145.02864	8.6
146.03575	5.2
147.04398	13.4
152.99480	3.7
159.04391	5.3
173.07562	1.8
175.03888	16.8
193.06630	2.3
197.06030	2.6
203.03409	2.6
211.07632	7.2
219.02913	2.6
221.06076	4.3
222.06876	4.0
238.06381	2.9
239.07076	21.5
249.05533	2.5
250.06273	9.8
265.04895	2.7
266.05875	5.0
267.06650	100.0
268.07333	7.3
269.08206	2.5
312.06534	3.4
313.07117	4.1
499.21274	40.7
543.20673	15.9
587.19214	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	64.4
69.02997	1.4
69.03337	7.8
71.01238	67.1
72.99171	3.0
73.02806	9.3
75.00733	3.0
81.03343	4.0
83.01247	4.2
85.02811	8.2
89.02296	100.0
95.01295	2.9
96.95940	2.5
97.02799	11.9
99.00747	15.2
99.04408	3.6
101.02318	18.9
101.02897	2.2
113.02303	13.4
115.03897	9.0
119.03406	6.2
125.02312	53.9
131.03358	8.9
134.03638	2.4
137.02374	3.4
143.03398	3.1
149.04457	20.1
149.05692	1.8
149.06000	1.5
165.01883	2.2
165.99413	1.8
167.03429	3.2
177.01843	4.1
179.64920	1.6
191.05598	7.9
193.51520	1.8
209.63391	1.8
233.06647	42.4
233.08766	2.7
279.72610	1.8
285.04385	2.0
287.08621	2.0
293.08801	89.4
305.06610	3.3
460.19312	4.0
461.19415	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	623.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	21.0
60.74133	16.7
61.98698	100.0
69.05390	12.8
73.67217	15.4
91.73348	28.0
92.10506	15.5
96.95910	67.4
109.02870	32.3
123.04413	21.6
137.02351	17.1
146.03720	25.0
164.04697	21.4
176.38116	15.0
177.05443	17.2
179.07117	34.0
180.04147	17.8
191.07063	18.8
195.06555	38.9
210.49495	17.5
253.12460	27.0
377.17734	21.5
435.21722	21.1
440.77853	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	623.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.1
61.98691	3.1
66.19607	0.7
69.46575	0.9
69.46905	0.5
96.95856	0.7
99.08013	0.8
104.66625	0.7
109.02798	1.0
113.57232	0.8
117.03316	0.6
119.04910	0.9
122.00825	0.5
123.00667	0.6
124.01525	2.4
125.02343	2.7
135.04390	0.8
136.01544	0.6
137.02377	2.8
139.03862	0.5
145.02812	1.2
147.04376	0.6
150.03081	0.6
151.03899	13.3
161.02345	2.3
162.03125	34.6
163.03900	7.0
165.05502	1.0
166.02666	0.6
175.03940	0.8
177.05473	5.7
179.03419	7.4
179.07010	0.6
180.04195	88.4
181.04510	1.6
181.74088	0.5
191.07108	0.6
192.04120	0.6
195.06557	100.0
196.06860	1.7
207.06508	0.8
208.07265	0.7
215.07091	0.7
216.04082	0.7
217.05112	0.9
240.55595	0.6
248.51941	0.7
256.75052	0.6
272.10568	0.8
281.08328	0.6
281.11615	0.7
283.09796	1.1
295.09900	1.3
297.11197	0.9
298.11960	0.8
299.12918	1.6
301.10822	0.9
309.11395	1.8
310.12177	0.7
313.10608	0.6
327.12204	0.7
377.17569	1.4
379.15631	1.1
381.16837	2.6
383.18637	4.7
384.19702	0.5
393.16895	2.8
394.17935	4.5
395.18539	1.3
409.20197	2.3
412.18933	14.9
427.21268	82.9
428.21533	3.7
487.59930	0.6
593.27423	1.2
605.90143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.1
58.00446	1.3
59.00032	1.3
59.01240	69.5
59.02328	1.0
61.56665	0.8
61.98675	2.0
66.06970	0.9
69.03321	1.5
69.29892	0.7
71.01237	21.4
72.99178	1.9
73.01012	0.8
73.02804	34.8
73.29855	0.9
82.95267	1.5
83.01240	1.7
85.02804	10.3
85.99918	1.3
87.00731	9.1
87.04375	4.1
89.02293	23.7
89.02848	1.6
92.91233	1.0
93.03349	0.9
96.24841	0.9
96.95889	1.8
99.00688	1.0
99.04384	1.5
101.02299	58.3
103.03868	23.8
113.02304	2.1
115.03874	8.7
119.03372	10.5
125.02314	2.2
127.03896	1.2
131.03374	11.5
143.03383	15.0
145.04924	9.8
163.00446	1.2
163.06012	100.0
191.05576	1.1
199.04034	1.2
205.07108	28.5
205.09021	1.4
231.11336	3.2
243.03116	1.7
255.03011	1.3
265.09326	10.7
271.02512	5.0
299.02032	3.3
300.02667	4.0
314.04370	3.1
315.05103	6.6
325.11444	1.8
341.71127	1.4
367.41022	1.0
371.76108	1.7
372.96463	1.3
534.86945	1.0
563.27979	3.7
623.15894	7.8
623.37573	1.4
634.46661	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44247	1.0
57.03307	3.3
57.16850	1.1
59.01225	1.6
61.98698	7.9
71.53243	1.2
78.95767	2.5
81.03300	1.6
82.02834	2.9
82.95252	3.2
84.04412	3.2
96.95872	3.3
99.05472	2.7
99.08015	3.5
101.05949	1.9
101.07059	13.3
109.02873	1.5
121.02794	2.0
123.04413	4.0
123.08037	2.5
134.05963	1.6
135.04434	1.3
154.47496	1.4
157.06183	1.5
192.55827	1.5
193.08691	1.7
195.06581	2.1
207.10127	6.7
215.14326	2.1
245.11844	3.9
247.13536	1.8
247.99983	1.5
271.41400	1.5
282.15240	1.6
340.09531	4.4
341.10376	2.5
359.19824	3.8
393.20715	4.0
431.25803	2.2
459.25320	1.5
465.26318	2.0
467.28189	4.7
477.26736	5.4
478.29639	3.1
496.30801	2.0
561.33673	9.5
579.34467	100.0
580.34753	4.7
623.33569	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	623.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05632	2.1
57.03313	7.5
59.01240	5.2
61.98695	27.8
64.84394	2.5
71.04899	3.2
79.14888	2.8
81.03318	20.6
82.02830	6.3
83.04877	12.5
84.02022	6.0
84.04404	26.4
85.02854	3.4
93.03323	4.3
95.04844	3.5
96.95864	13.0
97.02809	7.4
97.06456	6.4
99.04396	19.4
99.05487	19.4
99.08023	15.5
101.05958	15.3
101.07053	51.1
105.06885	3.3
107.04881	5.3
111.05502	6.2
123.08020	12.9
127.05064	3.7
129.06935	4.2
135.44302	2.8
136.01591	3.8
137.05974	3.6
146.96611	3.0
147.08075	3.4
151.03848	3.5
155.09332	3.1
157.06514	4.8
165.09117	7.7
167.03383	4.0
180.04204	5.3
187.71292	3.3
193.04984	3.7
195.06589	6.0
201.12810	5.8
213.12842	5.5
215.10698	4.0
217.12386	9.5
231.13863	24.4
244.13416	7.8
249.11333	5.0
256.13507	19.4
271.17087	4.7
281.12750	4.8
281.15503	30.5
329.18652	6.9
343.20370	8.4
349.18140	3.3
358.18210	9.9
365.21222	51.1
366.21042	8.3
374.21298	7.1
375.19287	3.8
383.22113	3.6
419.26126	3.7
431.25726	9.6
437.42752	3.4
441.24548	8.5
458.27121	8.9
459.25461	13.1
461.26593	4.2
467.28177	7.8
477.26465	10.0
479.27893	13.3
531.32355	7.0
543.32111	11.6
552.40405	3.7
561.34082	7.7
579.34454	79.8
580.34509	4.7
599.64618	4.0
605.32233	5.4
623.33539	100.0
624.33081	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	623.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	0.9
59.01234	1.0
61.93362	0.2
63.97179	0.2
67.46329	0.2
67.67975	0.2
71.01230	0.3
83.04865	0.9
83.05310	0.2
85.69999	0.3
92.88457	0.2
96.46376	0.2
101.02276	0.4
121.06453	0.7
123.08046	0.2
138.52011	0.2
139.91455	0.2
163.06018	0.2
179.14339	0.3
211.14883	0.4
219.13525	0.4
237.16452	0.7
245.11494	0.6
251.18118	0.4
253.15941	1.0
253.19673	1.2
254.16429	0.2
255.17601	0.5
267.17529	0.9
268.28912	0.2
269.19110	6.2
270.19666	0.3
271.02582	0.4
271.17789	0.3
271.20691	4.0
285.18387	0.3
289.10474	1.0
297.18582	4.7
298.18698	0.3
299.01791	0.3
315.05185	0.3
315.19669	20.0
316.19922	0.9
333.20724	100.0
334.21039	3.9
579.34467	0.2
623.15466	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01136	1.0
54.93383	1.0
70.55564	1.1
83.84116	1.0
91.72699	1.3
105.03329	4.1
128.29623	1.3
132.02052	2.6
132.84346	1.3
133.02824	36.2
134.03612	15.3
134.95102	1.3
135.04362	7.8
137.02312	1.7
149.05984	4.3
153.42752	1.3
154.22884	1.2
160.01564	12.3
160.03531	1.6
161.02274	2.3
175.03920	9.0
177.01852	3.5
178.02597	5.5
179.03372	9.6
193.04985	9.8
229.79637	1.3
231.51767	1.4
273.11371	1.4
273.94995	1.5
346.61053	1.4
354.88165	1.4
477.26343	2.4
507.27499	3.8
593.34833	4.7
608.37506	9.5
623.39612	100.0
624.40070	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31906	0.3
58.06497	0.2
58.17326	0.2
59.01233	0.6
60.31586	0.3
63.02267	0.3
63.49254	0.2
65.00195	0.7
71.01225	0.3
71.31509	0.2
72.65015	0.2
73.05609	0.4
77.84204	0.2
79.30874	0.2
83.01265	0.4
107.01259	1.1
107.94598	0.5
107.95350	0.5
109.02801	0.5
118.77422	0.3
124.01529	2.4
125.03297	0.2
126.70983	0.4
129.84583	0.2
135.00760	0.4
136.01567	0.4
137.02341	1.3
144.33620	0.3
148.01555	0.3
151.00252	5.4
152.00995	1.1
156.78731	0.2
158.03621	0.3
159.04443	0.3
163.00276	1.1
164.01065	1.7
164.18404	0.2
165.01865	0.2
169.01347	0.6
175.03969	0.3
178.99782	7.8
183.85605	0.2
187.03957	0.5
188.04715	0.3
191.05527	1.0
192.00644	0.4
199.03940	0.4
203.03487	1.1
204.04204	0.9
210.81850	0.3
213.01978	0.3
213.08092	0.3
214.02675	8.0
215.03462	1.1
216.04286	0.4
227.03468	0.8
231.02927	0.5
232.03758	0.5
241.01430	0.3
242.02177	6.6
243.02948	3.6
244.03723	0.4
258.27493	0.2
259.02481	7.5
260.03012	0.3
270.01709	7.4
271.02496	44.9
272.02725	1.2
287.01990	26.9
288.02652	2.4
297.64859	0.3
315.01474	2.1
316.02249	100.0
316.17123	0.9
317.02859	8.7
445.07367	0.4
485.80890	0.3
625.14148	77.5
625.55499	0.7
626.14398	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	625.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21420	0.2
56.03409	0.2
56.31887	0.2
60.31553	0.2
63.02265	0.4
65.00182	0.7
71.11488	0.2
83.01251	0.4
88.74416	0.2
91.73302	0.4
107.01236	1.8
107.94590	0.4
107.95351	0.5
109.02810	0.8
118.77417	0.3
123.00771	0.3
124.01538	2.5
125.02304	0.6
135.00757	0.6
136.01521	0.5
137.02303	2.2
148.01524	0.3
151.00258	6.0
152.01033	1.5
159.04326	0.3
161.02322	0.3
163.00255	1.5
164.01071	2.5
165.01842	0.7
167.03346	0.3
169.01376	0.4
175.03865	0.5
176.96883	0.2
177.01843	0.3
178.99770	6.8
179.03387	0.2
185.02464	0.2
186.03091	0.2
187.03947	0.5
188.04703	0.4
189.01784	0.4
190.99701	0.3
192.00586	0.5
193.01372	0.5
199.03885	0.5
203.03433	1.2
204.04242	0.8
213.01866	0.3
214.02655	7.6
215.03445	1.0
216.04199	0.3
217.01361	0.3
219.02863	0.3
224.14082	0.2
225.27103	0.2
227.03456	1.0
231.02969	0.6
232.03835	0.8
234.14604	0.2
241.01497	0.4
242.02222	6.5
243.02965	3.9
244.03719	0.6
255.02962	0.3
259.02469	6.9
260.02841	0.4
261.04031	0.3
264.97272	0.2
270.01706	8.1
271.02496	45.5
272.02914	1.2
286.89633	0.3
287.01984	25.1
288.02588	2.2
295.12140	0.2
299.02100	0.5
315.01514	0.6
315.87958	0.9
316.02243	100.0
317.02945	12.1
329.02899	0.4
542.66028	0.3
625.14130	86.7
626.14398	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	625.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.3
59.54327	0.4
60.58220	0.4
60.74836	0.5
65.00227	0.5
68.96306	0.4
71.01247	0.9
75.13133	0.7
84.95000	0.8
86.98518	0.6
87.00734	43.0
87.02752	0.7
88.00260	0.8
89.02316	0.7
91.72703	1.0
96.95882	1.1
101.02290	0.7
103.87299	0.5
107.01322	0.9
107.74500	0.9
107.75195	1.1
121.02851	0.5
125.02317	1.5
131.04913	0.6
135.16687	0.5
137.02350	1.3
143.04932	0.6
149.02368	0.8
151.00259	4.4
159.04434	1.2
163.00313	1.0
165.01801	1.0
171.04401	0.8
173.02332	0.7
178.99789	1.5
179.03439	0.6
179.07034	0.9
187.03957	1.1
191.03488	0.7
203.03474	1.3
213.01952	0.9
215.03510	3.0
231.02997	2.4
235.62032	0.5
241.01500	1.3
243.02989	4.3
259.02487	7.0
270.01523	0.6
270.99744	0.8
271.02405	4.4
287.01990	50.9
288.02353	1.2
297.00311	0.7
315.01495	100.0
316.01923	6.1
317.03091	11.6
386.50961	0.9
462.08105	29.0
463.08716	5.9
479.08292	1.8
625.14136	76.4
626.14874	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	625.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46321	0.7
58.02840	6.0
59.22721	0.9
65.13893	0.9
65.57243	0.9
70.50114	0.8
72.00758	1.9
74.00539	1.6
74.02335	14.9
78.95758	1.3
81.04411	1.4
82.02833	3.8
84.00725	1.0
84.04393	1.1
85.03936	1.8
86.02332	6.5
86.05941	1.2
86.98975	1.5
87.05495	4.6
90.00041	1.7
97.03929	6.4
99.05493	14.1
100.00251	2.8
101.07043	2.0
102.00053	2.1
102.05473	1.2
103.43621	0.9
105.99541	5.9
109.03941	3.6
109.07596	1.5
110.02357	0.9
111.05593	1.3
112.03916	1.8
113.03391	1.3
116.01652	2.0
123.05502	2.2
125.02572	1.5
125.03435	10.0
125.45167	0.9
127.05001	18.3
128.03406	91.8
128.07104	1.3
129.99588	1.1
131.59650	0.9
135.05473	6.1
137.07028	2.0
141.06612	3.5
143.04503	60.2
145.06052	3.5
146.04474	4.7
153.01869	1.1
153.06590	5.8
157.06073	4.8
159.07661	2.0
160.00632	14.9
166.09737	2.5
167.04500	4.9
167.08177	2.2
169.06123	2.2
175.01707	7.5
177.03284	4.5
179.04521	15.1
181.06105	2.3
185.03984	1.3
185.05611	3.0
192.07747	1.9
197.05634	3.9
203.04909	1.5
210.08771	16.3
224.05014	1.2
226.08308	1.7
228.09854	1.6
242.07787	1.6
254.07840	17.2
272.08899	49.8
286.05225	1.2
286.10410	5.0
288.06598	7.7
304.06094	44.4
306.07660	100.0
318.07700	4.7
320.09219	22.7
338.05048	4.7
352.06351	3.6
442.46805	1.1
496.11844	1.5
607.15503	1.7
625.05951	1.5
625.16138	23.1
626.16718	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93488	0.3
53.76054	0.3
55.01748	0.7
57.03324	0.6
59.01242	25.7
59.02442	0.6
61.98689	0.5
71.00874	0.5
71.01241	6.6
72.99172	0.6
73.02795	3.4
76.06046	0.3
78.95727	0.7
81.03311	0.4
83.01249	1.9
85.02809	4.1
85.99958	0.6
87.00720	1.3
89.02312	1.8
95.01227	1.0
96.95866	16.2
96.96832	1.6
99.00740	0.9
101.02301	6.7
107.04855	0.3
111.00752	1.5
113.02313	2.7
119.03346	0.4
119.04830	0.6
121.02869	0.4
127.10476	0.9
142.51350	0.4
205.12318	2.2
214.18484	0.4
217.15953	0.6
219.13861	3.9
233.15446	7.5
257.19095	0.4
285.22229	2.5
297.22260	4.9
303.23145	0.5
313.21597	0.4
315.23337	2.1
333.24353	9.9
352.28311	0.4
448.43115	0.5
455.47955	0.4
477.28278	0.5
495.29568	3.6
521.27722	0.9
539.28577	6.7
581.29718	100.0
582.30035	3.5
625.32141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.7
57.03308	0.7
58.83372	0.2
58.99913	0.3
59.01242	24.8
59.02419	0.5
61.98683	1.1
62.61634	0.3
63.56714	0.3
69.03313	0.5
71.00869	0.5
71.01239	6.6
72.99156	0.9
73.02803	3.2
74.02312	0.5
76.95561	0.3
83.01232	2.3
85.02803	4.6
85.99953	0.8
87.00723	1.0
89.02309	1.3
91.73354	0.6
95.01229	0.6
96.69601	0.3
96.95867	2.5
97.02798	0.8
99.00734	1.4
101.02298	6.4
107.92830	0.3
107.93419	0.3
108.76568	0.2
111.00762	1.4
113.02312	2.5
119.03362	0.4
121.02802	0.3
124.01507	0.4
125.02357	0.5
127.10493	0.4
128.03391	1.2
129.01781	0.5
135.04431	0.3
139.11169	0.4
143.04514	1.2
159.02888	0.4
163.11162	0.9
179.04405	0.3
191.10703	10.3
205.12303	1.1
211.80566	0.3
228.05309	0.3
241.84769	0.3
248.50043	0.3
254.07858	0.7
262.56818	0.3
272.08902	1.1
273.09293	0.4
301.21829	0.4
303.23419	2.2
315.23297	1.2
331.22803	0.8
333.24365	23.9
334.24832	0.5
345.24402	0.5
428.91956	0.3
457.30692	0.3
477.28574	0.8
495.29639	4.8
521.27435	0.7
539.28619	6.2
581.29730	100.0
582.30145	3.6
602.98157	0.3
607.28052	0.4
619.66614	0.3
625.32294	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.8
55.37057	0.6
57.03302	1.3
59.01244	25.0
59.02499	0.5
61.98681	0.7
69.03307	0.7
71.00941	0.5
71.01249	6.1
73.02812	4.0
83.01234	2.4
85.02807	4.0
87.00728	2.1
88.48434	0.5
89.02293	0.8
96.95882	3.4
99.00711	1.4
101.02315	5.6
111.00742	1.5
113.02296	1.7
115.00268	0.9
118.51531	0.5
119.03352	0.6
119.04881	1.2
127.10474	0.8
136.05122	0.6
145.02811	1.8
159.02745	0.6
163.03799	0.8
168.37648	0.6
203.14371	1.1
219.13843	6.6
285.22452	2.6
297.22205	4.0
315.23346	2.7
333.24371	12.8
413.29175	0.6
469.61200	0.6
495.29660	3.3
521.27576	1.3
539.28638	8.7
566.02545	0.6
581.29724	100.0
582.30133	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	625.302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39349	1.1
59.01223	1.9
60.85192	1.6
61.98680	1.9
69.53107	1.4
76.76641	1.3
90.30494	1.5
96.95845	1.7
102.05446	3.8
103.55437	1.4
107.04866	3.7
108.02027	11.9
109.02814	19.5
121.02800	2.1
123.04401	7.8
123.43347	1.6
134.03625	4.0
145.02843	7.6
146.03595	10.1
147.04395	11.2
157.02852	2.9
158.03603	7.5
159.04407	32.6
161.02386	11.8
161.05991	3.6
163.03918	9.8
173.02341	22.1
175.03952	6.6
179.03491	1.8
189.01779	2.6
190.02650	1.8
193.76324	1.7
203.03389	16.8
221.05998	2.0
224.04825	1.8
225.05386	1.9
225.22148	1.9
229.01419	10.4
233.05356	1.6
237.05524	2.2
238.06358	4.4
239.07275	1.9
249.05588	4.4
251.07269	1.7
253.05136	5.2
265.05078	12.1
266.05859	26.7
267.06644	13.2
268.07465	4.9
271.22809	31.5
277.05054	3.6
281.08160	6.4
283.09921	3.7
293.04578	5.8
294.05304	20.8
309.07727	34.4
325.78439	1.8
327.08829	2.3
353.06699	17.4
359.11206	1.9
439.24857	17.5
444.25058	2.4
446.26138	1.6
457.20016	2.5
457.26010	29.4
458.26178	2.1
459.27884	1.8
471.27286	2.8
472.98938	1.7
503.26611	16.5
547.26837	1.7
563.30060	3.9
581.31238	100.0
582.31738	6.0
625.30347	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	625.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41779	0.6
58.99965	1.2
59.01242	100.0
59.02396	1.5
60.47579	0.9
63.57862	0.8
70.24036	0.9
71.01224	5.4
71.79128	0.8
73.02811	1.8
83.01260	2.1
85.02804	6.5
91.60165	0.9
97.02789	0.8
101.02306	4.8
113.02325	3.8
115.85650	0.8
125.02279	1.1
143.10605	1.3
149.13774	0.9
161.04532	0.9
170.63771	0.9
173.04500	2.1
191.05527	1.3
365.19073	1.0
375.92477	1.0
387.23987	9.7
393.63907	1.0
405.24988	3.6
429.24939	15.7
447.26151	7.5
471.26004	16.3
489.27155	12.8
507.27963	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	625.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29557	1.1
51.29808	1.4
61.98692	17.6
78.93204	1.3
80.04934	1.7
82.06445	1.4
84.04414	3.1
85.03922	4.8
85.39905	1.4
87.05495	6.2
96.95858	3.7
97.03903	1.6
98.02330	1.3
101.07059	6.0
113.03442	4.4
115.08649	8.4
124.02650	2.4
129.10213	5.3
133.32802	1.6
136.01479	2.1
139.04973	2.0
139.08644	3.9
139.84732	1.4
140.07040	5.9
147.65639	1.5
151.03879	2.7
153.10205	2.8
155.08142	5.0
155.11838	7.9
165.10269	7.4
167.08165	6.0
181.09825	3.6
182.12859	8.2
183.11374	4.5
184.10808	7.4
186.16774	1.8
197.16573	7.3
200.13972	13.9
211.14465	4.7
223.14516	1.7
226.12151	1.8
228.17192	3.5
252.20789	1.7
255.14012	1.9
255.76628	1.6
268.20374	6.7
281.19916	14.6
284.48337	1.6
299.20905	6.8
325.18884	4.1
350.22195	2.0
367.26785	2.7
368.23050	46.8
381.29166	2.1
407.26535	3.0
410.27451	3.5
421.24234	2.5
523.31354	3.7
577.37244	100.0
578.37775	7.2
581.36224	5.8
625.37390	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16439	1.5
51.33775	1.8
57.59143	1.9
67.77805	2.1
71.01232	11.2
72.94057	2.1
88.03894	41.7
90.98450	2.9
96.95833	2.9
98.02396	2.0
115.00237	13.7
121.02804	4.6
121.04258	2.0
125.02301	4.5
132.02910	42.2
133.58571	2.6
135.08022	3.3
137.02338	3.7
166.02524	2.3
173.04347	2.2
177.01698	2.5
214.13510	16.7
215.10208	2.6
240.11513	4.9
257.14233	12.1
287.20096	8.2
313.18265	3.9
330.20660	11.4
424.89444	2.6
511.25092	7.4
626.28198	100.0
627.28748	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	627.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43800	0.3
57.03305	0.9
59.01229	0.7
63.02276	0.2
65.00181	0.5
67.01736	0.4
68.99673	0.8
69.03347	0.2
71.01231	0.3
71.49931	0.2
76.39312	0.2
81.03309	0.7
83.01237	4.2
85.02816	0.6
89.02279	0.6
90.04099	0.2
92.31584	0.2
93.03294	0.4
95.01241	0.6
95.04877	0.8
97.02803	0.3
99.00724	0.4
101.02294	0.3
107.01266	1.2
109.02824	3.5
111.00755	1.1
111.04371	1.1
119.03291	0.2
121.02840	0.5
123.00751	1.7
123.04387	0.3
124.01535	2.2
125.02319	14.3
137.02310	3.4
138.03061	0.4
139.00275	1.1
139.03902	3.5
141.01819	1.2
149.02330	0.7
151.00259	10.0
151.03989	0.4
152.96893	1.2
153.01825	100.0
153.07361	0.7
154.02139	1.3
161.02335	0.5
164.01073	0.7
165.01854	2.6
166.02531	0.3
167.03400	15.7
169.01335	0.4
173.06097	0.3
175.03783	0.3
177.01872	2.0
177.05463	0.6
179.03409	1.8
179.05565	0.5
183.02875	0.8
191.07121	0.3
193.04932	0.3
195.02927	0.4
201.05606	0.3
203.03439	0.5
204.04300	0.3
219.06714	1.2
221.04503	0.6
243.06630	0.3
250.42046	0.2
259.06070	0.2
261.07773	0.4
262.12808	0.2
303.05191	0.8
305.06702	10.2
306.07178	0.3
320.05084	0.3
321.06165	6.3
340.36707	0.2
529.54803	0.3
567.26532	0.4
616.75098	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1571
Annotation	Taxifolin 3-galactosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
54.22206	1.2
55.34858	0.6
56.14835	0.6
57.03301	2.9
59.01225	1.4
63.53929	0.7
63.97284	0.7
65.00175	0.8
67.32388	0.6
71.01214	0.8
78.95770	0.8
83.01228	2.7
89.67467	1.2
92.78844	0.9
93.03290	0.8
95.01237	1.6
96.95876	5.0
96.96824	2.3
107.01251	2.3
109.02814	2.2
116.92725	1.0
121.02803	1.1
123.04386	3.0
124.01513	1.8
125.02312	63.7
128.03439	0.9
137.02316	1.9
139.03870	0.9
139.36378	0.8
149.02299	6.4
150.03081	1.3
151.00264	14.4
151.03886	2.2
152.01076	4.9
153.01819	10.3
161.02333	1.2
165.01894	1.8
167.03445	1.4
173.05894	1.3
174.03131	1.0
175.00294	1.4
175.02431	1.2
175.03882	8.2
176.01100	1.1
177.01839	14.4
178.99767	13.4
181.01328	3.1
188.04660	2.2
189.05434	3.9
191.03491	0.9
193.05052	1.1
199.04007	3.7
213.05614	1.0
217.05025	6.3
231.06590	1.6
241.05061	5.9
243.02963	1.3
245.08231	0.9
252.11180	0.8
257.04562	1.7
259.06128	7.2
275.05640	8.6
284.03348	2.3
285.04068	51.3
299.05756	1.7
303.05099	34.4
341.05161	1.0
437.10764	2.1
447.09464	4.4
458.25555	0.9
465.10385	100.0
539.16187	1.5
627.15308	9.4
627.23535	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	1.1
59.71811	0.3
60.99170	11.9
62.06697	0.3
71.01227	0.4
80.29049	0.4
87.00727	2.3
88.00240	2.0
88.96487	1.6
88.98659	100.0
89.01157	1.0
89.02296	16.6
89.04119	0.3
91.73348	0.5
108.22389	0.4
109.02787	0.6
115.84811	0.4
116.92771	0.6
125.02357	0.6
137.02332	0.4
140.90288	0.4
150.03096	0.5
165.05421	0.8
179.03400	0.7
195.06477	0.5
197.04445	0.8
287.02182	0.6
291.09180	0.4
305.81674	0.4
375.14594	0.5
496.17819	0.4
539.21442	0.4
627.14404	0.7
627.23547	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61546	0.9
59.00081	1.9
59.01245	100.0
59.02513	1.5
63.20602	0.8
68.32178	0.9
93.03330	1.4
96.95863	5.7
100.40457	0.9
104.40308	1.0
108.02040	1.5
109.02821	2.2
112.93527	1.0
120.24582	1.0
121.02808	5.8
122.03596	2.7
123.04396	2.1
133.02808	2.0
145.02811	1.5
146.03627	2.0
147.04431	2.8
149.02336	41.5
149.06111	1.1
150.03108	5.3
153.01801	1.5
161.02385	1.6
161.05954	2.0
162.03108	3.3
163.03947	2.0
164.04684	13.6
165.05489	2.9
172.26785	1.5
175.03809	1.1
177.05511	1.9
178.02562	1.0
179.03398	1.5
180.04202	13.9
193.04987	9.6
195.06564	23.3
195.29997	1.0
200.66429	1.1
205.05086	1.7
238.06522	1.3
255.06660	1.3
270.08972	11.1
285.11371	6.1
296.10660	2.5
297.07748	3.9
304.99371	1.1
311.12982	3.8
313.07166	1.6
328.09552	6.7
343.11896	93.4
344.12299	3.5
357.13669	1.4
405.15533	5.2
408.06528	1.2
505.19113	8.6
530.26300	1.1
565.20691	6.9
627.16272	1.3
655.26379	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02257	0.4
53.68052	0.2
56.98858	0.7
56.99103	0.3
61.98682	1.0
64.17596	0.2
65.16402	0.2
65.99707	5.5
67.01743	4.9
68.99681	1.4
69.03320	2.2
77.10483	0.2
79.01740	2.7
80.19239	0.3
81.01355	0.5
81.03313	25.4
82.95283	0.3
91.73374	0.5
95.01239	10.0
97.02800	2.2
107.01247	12.8
108.02038	3.5
109.02817	2.2
121.02827	2.3
123.00748	12.1
124.98615	0.4
125.02311	33.2
126.02653	0.4
147.03313	0.3
150.95302	1.1
151.00253	100.0
152.01053	2.6
153.01791	2.9
167.41905	0.2
183.48830	0.3
199.11237	0.5
199.77818	0.3
228.07979	0.5
243.10210	4.3
383.15024	51.2
384.15442	1.2
393.21521	0.3
561.28638	0.4
643.50494	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12688	0.6
54.12908	0.3
54.21983	0.2
57.03321	2.1
58.27740	0.3
59.01229	0.5
63.45466	0.3
69.03300	0.4
69.44859	0.3
69.72817	0.3
71.01222	0.4
71.04884	0.6
71.45565	0.3
72.99158	0.7
73.02798	0.9
82.92116	0.3
83.04876	2.6
85.06461	1.6
87.04387	0.5
93.11282	0.3
95.04887	2.2
97.02817	0.7
97.06445	1.9
99.08013	15.1
101.05959	0.4
107.04861	2.3
109.06461	3.0
111.04371	0.6
111.07993	0.8
111.81316	0.4
113.02789	0.3
113.05946	25.5
113.09478	1.5
115.07478	0.7
121.02812	1.2
121.06461	0.5
123.08023	6.4
125.02259	0.5
125.05952	9.5
127.07539	1.5
135.04407	0.4
137.05891	0.3
137.09602	0.5
139.07498	1.0
143.07031	0.5
151.00262	0.5
153.09053	0.6
157.08545	0.9
163.05672	0.5
163.11183	33.1
164.11525	0.7
165.12750	1.4
169.01234	0.3
179.14354	0.5
187.13315	0.4
191.14308	1.4
193.12268	3.2
197.15411	1.3
199.05966	0.5
201.07614	0.9
203.14395	0.5
206.99248	0.3
207.10284	0.6
207.13782	1.0
209.11841	0.3
209.15405	4.5
219.10362	0.3
219.13875	0.5
221.15442	2.3
227.16483	12.4
237.11372	1.6
239.16437	0.4
243.12354	0.6
245.04486	0.4
251.09244	5.8
257.13971	0.6
257.17505	0.5
273.04141	0.8
283.12381	0.6
283.15518	5.6
300.15445	0.6
301.03171	1.5
301.16562	100.0
302.16956	1.3
315.83444	0.3
325.05582	0.5
325.09311	8.2
371.01828	0.3
395.99533	0.3
396.26654	0.3
523.00659	0.3
627.14252	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75565	35.8
52.64138	37.5
58.66595	32.7
61.98687	39.5
62.04799	33.9
84.14845	37.1
96.95895	49.4
98.80672	40.2
125.30806	42.8
179.06984	100.0
234.29634	47.8
235.64929	41.0
255.03973	65.5
631.93195	58.0
649.83716	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77198	0.2
59.00108	1.8
59.01241	100.0
59.02546	1.3
60.01571	0.4
61.98692	0.6
67.97598	0.2
71.01244	0.6
74.99244	0.6
90.29286	0.3
91.73404	0.7
95.01239	0.3
96.99165	0.5
97.02823	1.5
98.99237	0.5
101.00807	0.7
102.98730	0.4
113.00815	0.5
117.00294	0.7
117.03366	0.3
118.33212	0.4
125.00826	0.5
130.12230	0.3
140.97397	1.0
141.01575	79.4
142.01961	0.8
142.04977	0.5
145.02823	0.3
153.00356	0.4
171.94524	0.8
173.02977	1.2
180.99940	0.3
183.01370	0.5
183.38876	0.3
201.02486	0.9
208.82724	0.3
249.18576	2.3
254.79794	0.4
257.05090	1.1
275.06235	7.5
280.59369	0.3
291.55786	0.4
317.07385	1.4
331.18057	2.2
335.08569	1.0
339.00171	0.6
343.57532	0.3
363.16611	3.0
363.20526	0.4
364.16833	0.5
385.94385	0.4
473.29410	1.3
507.24500	6.4
508.24380	0.5
567.26642	2.0
589.10834	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65922	1.3
59.01209	1.4
68.02275	1.3
146.23714	1.3
159.14598	1.7
178.56485	1.5
223.20630	90.5
224.21004	2.7
241.21748	1.8
255.00475	1.7
267.19684	58.1
285.20728	100.0
286.21115	2.8
304.21817	1.5
324.33310	1.6
359.24319	22.2
537.21124	1.8
627.44794	92.1
628.45325	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	629.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48699	1.0
57.99751	1.0
67.44532	1.0
77.14227	1.0
79.95586	3.3
80.96342	1.4
83.01275	1.2
87.00725	1.3
96.95869	100.0
101.02317	1.8
109.02816	30.7
125.02328	3.1
137.02238	1.6
151.03925	1.7
160.95549	3.5
165.01839	2.8
166.02638	1.2
167.03421	1.5
177.01793	1.9
218.05670	1.7
233.08159	1.8
241.00217	36.2
262.78445	2.0
295.06116	2.4
296.06882	4.6
311.09116	4.4
327.08829	1.3
343.11853	2.9
355.08304	10.7
387.10938	8.2
433.13593	1.3
460.84445	1.4
467.12808	2.2
549.61365	1.5
629.11871	84.0
630.12402	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	629.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14530	0.5
53.44811	0.5
53.59783	0.5
54.20996	0.6
59.01237	1.6
62.33925	0.6
62.51690	0.5
63.28485	0.5
64.69803	0.5
67.23850	0.6
78.26727	0.6
79.05350	0.6
86.64927	0.7
87.00719	0.8
91.73428	1.2
93.02813	0.9
93.03288	0.8
96.95856	2.6
99.21111	1.3
99.21768	1.1
109.37407	0.6
122.74686	0.6
132.02071	0.8
133.02838	1.0
134.03600	1.3
135.03905	0.7
151.00258	2.1
163.00206	0.9
178.99823	1.3
193.04977	1.3
211.03876	1.2
227.03464	36.3
229.04955	0.9
255.02988	64.3
256.03775	4.7
257.04520	1.2
283.02509	1.1
284.03278	100.0
285.04031	11.9
306.07773	1.1
355.76422	0.8
391.85385	0.8
429.07855	1.2
507.76321	0.7
593.15192	96.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00965	0.3
52.59832	0.3
52.86902	0.5
53.46516	0.3
55.89008	0.5
57.03313	1.1
58.24645	0.4
60.22129	0.4
67.67402	0.3
69.49103	0.4
72.99160	3.5
83.01232	0.9
90.52234	0.4
93.03319	0.7
99.07997	1.6
101.05954	0.6
106.04109	1.5
107.01240	0.7
107.04902	1.0
109.02824	0.8
109.06456	3.4
111.10140	0.4
113.05931	1.6
114.06282	0.5
119.04930	0.4
121.02807	4.9
123.04395	0.7
123.08041	0.6
125.02312	9.8
125.05968	0.6
125.12940	0.4
135.04359	0.9
135.11667	0.6
136.05165	1.3
149.02393	1.0
150.03152	0.5
151.00270	1.7
152.01019	0.7
153.01831	1.9
161.06041	0.4
163.05731	1.1
163.11183	100.0
164.11491	2.7
165.12782	4.1
175.03857	2.1
175.11208	0.9
177.01846	2.6
178.99791	1.1
185.05887	0.5
189.05566	0.5
193.12273	8.6
199.03926	1.3
207.10240	2.1
209.11761	0.5
211.04031	0.5
217.05006	1.1
219.10236	0.8
227.03470	4.6
227.16469	0.8
229.05043	1.7
237.11276	4.6
241.05122	0.9
251.09241	15.6
252.09541	0.7
255.02963	8.7
256.03583	0.7
257.04526	1.3
275.05664	0.8
284.03271	13.2
285.04062	25.9
286.04349	1.0
301.13123	0.7
301.16580	3.4
302.13516	0.7
302.16879	3.7
303.05090	9.7
303.10489	0.6
303.13861	1.9
303.17584	2.3
325.09299	16.7
325.13168	0.9
326.09576	0.5
455.50500	0.4
593.15186	20.1
593.61414	0.5
594.15729	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85784	0.7
55.10004	0.8
55.67592	0.8
76.58913	0.7
81.03318	1.7
83.01249	1.6
83.04864	0.8
85.18815	0.8
93.03312	1.5
95.01228	1.1
95.04858	1.1
96.95853	2.3
97.02797	1.3
107.04905	1.8
108.02029	1.7
109.02805	14.1
111.04372	7.2
120.88715	0.9
121.02811	2.6
123.00722	4.4
123.04393	3.3
124.01531	3.6
125.02313	36.4
130.59972	0.9
131.04965	0.8
131.53052	0.8
134.03612	10.1
135.04419	2.0
137.02324	22.3
138.03123	4.9
139.02934	0.6
139.03891	16.2
142.57965	0.9
145.42877	0.8
146.03685	1.2
147.04385	2.5
149.02339	9.1
149.05963	7.6
151.03915	10.1
155.03448	1.0
159.04335	1.2
161.02347	3.7
161.14749	0.9
163.03868	4.4
164.01010	2.1
165.01825	11.7
166.02606	1.3
167.03406	22.6
172.05051	0.9
175.03954	2.9
176.01025	1.4
177.01836	16.5
177.05455	3.6
178.02533	1.8
179.03391	11.0
187.07631	1.1
189.01845	2.5
190.02687	1.6
191.03435	10.8
192.04103	1.0
193.05060	1.0
201.05412	1.0
203.03395	3.7
204.04179	1.5
205.04977	2.5
211.07382	1.0
219.06590	6.8
221.04486	5.9
229.05107	1.0
231.06580	13.8
233.08331	0.9
235.73308	0.9
245.08240	1.4
247.02295	1.2
249.07686	0.9
254.71710	1.0
261.07693	2.1
271.02600	1.4
271.06128	0.8
272.78296	0.9
273.07648	5.5
285.04031	0.9
287.09280	4.4
299.05875	1.4
299.09286	4.0
303.14545	0.9
305.06662	25.1
317.06665	20.2
327.08829	4.0
331.08273	3.7
341.10574	2.0
383.08020	1.1
467.13486	100.0
468.13919	3.7
629.18781	23.3
630.18774	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	631.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65494	1.8
56.05076	2.1
57.03307	5.7
57.57616	2.1
59.01237	2.3
69.03310	3.0
69.04089	1.8
71.01237	3.5
71.20096	2.0
72.99173	4.9
73.02808	3.4
73.03982	1.8
79.43443	2.4
79.43887	1.9
81.03312	8.1
83.01246	10.8
86.69721	2.1
88.45954	2.6
90.06692	2.1
91.73276	4.0
93.03325	7.2
93.38100	2.1
95.01250	7.2
95.04897	5.0
96.95881	14.8
97.02800	13.1
98.95458	9.5
99.08006	29.3
101.05952	2.5
107.04915	5.9
109.02810	41.4
111.04379	15.9
111.05029	2.4
119.04900	2.7
121.02839	8.9
121.28072	2.4
123.00765	15.7
123.04388	6.1
124.01540	8.7
124.05179	5.0
125.02311	99.8
125.05869	2.9
130.08769	2.3
133.06534	3.8
135.04425	10.3
137.02315	71.7
138.03114	16.4
139.03889	49.8
147.04384	5.2
149.02325	27.7
149.06000	7.1
150.03102	4.4
151.03873	11.9
153.01755	3.4
153.12761	5.2
155.03296	3.6
159.04373	5.5
161.02348	11.6
163.00211	3.0
163.03914	5.9
163.11264	2.9
164.01001	11.2
165.01831	42.0
165.05531	3.0
167.03397	44.2
173.05986	6.4
175.03879	13.2
175.07483	2.7
176.01201	3.8
176.04614	2.9
177.01819	35.7
177.05472	15.6
178.02632	7.2
179.03426	24.4
187.65031	3.1
189.05440	4.3
190.02658	2.6
191.03421	9.7
191.05498	14.4
193.05026	5.4
193.12317	6.3
201.05539	4.6
203.03398	12.2
204.04239	4.1
204.99843	5.0
205.05037	5.9
207.10054	2.5
213.05528	5.1
215.06999	3.3
217.04997	4.5
218.05801	6.1
219.02989	4.2
219.06616	24.1
221.04492	28.7
225.11278	6.7
229.05087	7.3
231.06610	31.3
237.07652	3.4
241.00258	4.5
242.99896	3.6
245.04565	7.2
247.02390	5.6
259.13486	3.8
261.07697	8.6
263.05701	8.4
273.07700	20.2
277.14407	4.5
297.07748	2.9
301.14420	5.9
305.06671	100.0
317.06619	45.8
375.14520	5.7
409.02075	2.9
419.13562	4.9
463.12299	12.6
469.18869	29.2
481.18890	9.5
499.19821	26.1
513.17371	4.4
525.17749	17.2
543.18756	70.1
569.16870	4.6
587.18024	12.5
631.11578	12.8
631.21490	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	631.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33412	0.2
54.80209	0.2
59.01247	1.5
67.01737	0.4
67.23829	0.2
69.03314	0.7
71.01231	0.8
72.99175	1.5
73.02806	0.4
83.04873	0.3
85.02806	7.9
85.85728	0.2
87.00738	2.0
87.66818	0.3
90.83334	0.2
93.03312	2.8
96.95798	0.3
97.02800	0.6
99.04376	0.3
101.34929	0.3
108.02047	0.3
109.02805	0.4
111.00739	1.0
111.04388	0.8
113.02300	1.4
125.02315	4.7
126.83201	0.3
127.03880	2.4
137.02272	0.3
141.01791	0.8
171.02913	0.6
173.04433	1.2
184.93573	0.3
190.98729	1.0
191.05539	100.0
192.05904	2.3
259.13373	0.3
277.14413	0.4
296.96738	0.3
383.13495	6.0
384.13733	0.5
439.12524	3.1
617.31763	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51591	1.0
57.97424	7.0
58.02832	4.3
72.99173	6.9
74.02322	10.4
76.11830	1.4
84.04375	1.3
86.02328	6.3
87.05494	2.8
96.95876	4.7
99.05502	9.2
101.07056	1.4
102.05521	2.1
109.03927	2.2
111.05453	2.5
112.03902	1.8
116.01665	1.8
124.00882	17.3
125.02341	3.2
125.03389	2.1
127.04984	2.2
128.03404	32.7
130.01324	2.3
130.76709	1.2
135.05469	1.4
141.06578	3.6
143.04506	43.1
145.06099	2.4
146.04460	5.2
153.06589	4.0
160.00653	9.7
167.04530	2.8
167.08144	2.1
167.99904	21.4
177.03348	3.0
179.04553	9.3
185.05655	1.9
186.00951	9.7
192.07680	1.8
210.08842	11.8
231.26299	1.5
250.65778	1.7
254.07776	8.7
272.08932	13.1
283.07584	13.6
288.06653	5.0
305.06525	1.9
306.07663	100.0
307.07867	2.1
328.05908	4.1
340.09839	1.8
362.06558	6.8
402.98193	1.7
475.08429	4.4
564.64911	1.6
571.64398	1.7
572.14923	28.4
631.22595	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	631.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79528	33.8
61.98696	49.4
64.49169	43.7
77.55129	46.2
78.95751	82.3
91.73346	86.9
91.74648	41.8
118.91274	48.3
134.03577	56.1
135.51808	45.1
139.99803	44.3
145.02885	85.3
145.19728	45.9
186.76958	48.1
188.41463	46.5
217.00276	50.2
283.71173	52.1
342.68924	61.0
394.32709	49.9
415.25101	57.0
482.30048	58.7
595.31342	100.0
631.28668	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57206	27.4
53.93552	20.5
84.02905	26.8
95.88700	30.5
97.36250	27.5
116.04902	27.5
145.02844	70.6
172.33479	28.4
175.03978	63.9
180.29062	27.0
324.63370	34.6
496.97586	32.6
504.99329	35.3
595.31140	83.9
599.87067	40.0
631.28772	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	20.1
59.53841	24.6
62.62913	22.0
74.19601	23.9
123.47975	32.6
145.02802	29.1
149.47897	29.7
158.05421	28.9
194.23965	28.9
245.59827	33.0
285.20789	47.6
595.30841	100.0
631.29376	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91036	1.8
60.16545	2.0
61.91932	2.3
61.98679	2.9
64.50533	2.1
73.03925	3.7
73.96446	2.0
76.35024	2.1
82.34114	2.0
87.05513	4.8
88.38070	2.4
90.47684	2.1
96.95845	3.5
98.02398	2.0
113.50912	2.5
115.08688	3.0
123.97395	2.8
129.10204	7.9
130.08629	2.5
139.08672	4.1
140.07062	6.8
151.08696	3.2
154.09746	3.0
155.08151	3.1
155.11804	3.3
165.10263	6.4
172.10736	3.0
182.12923	6.6
183.11345	3.2
186.12407	4.7
193.13477	2.8
195.68048	2.2
200.13983	8.8
207.14980	4.1
224.17680	3.3
228.17220	7.2
242.18732	4.6
281.19870	4.3
356.23196	6.9
370.24612	10.4
380.26904	6.4
398.27640	13.2
412.29657	3.0
565.37195	100.0
577.37903	6.5
595.38312	74.3
615.35956	2.9
631.36090	8.8
638.03375	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41298	0.9
57.03306	0.4
63.58557	0.2
66.15456	0.3
69.03313	0.2
76.98441	0.2
77.03816	1.0
91.72694	0.3
92.12116	0.3
93.03327	1.2
95.04893	0.7
95.27670	0.2
99.20942	0.4
106.42872	0.3
108.28825	0.2
109.02802	1.1
116.31207	0.3
121.02819	9.7
123.00753	0.8
125.02317	5.0
135.04361	0.7
137.02328	2.2
139.03873	1.1
149.02328	0.3
151.03859	0.3
153.01842	0.6
164.01050	1.7
164.96011	0.9
165.01830	100.0
166.02155	1.7
167.03395	1.2
177.01849	0.7
179.03403	1.2
189.01805	0.5
191.07140	0.3
207.02953	3.4
219.06546	0.4
221.04562	0.4
305.06680	6.6
327.07233	66.7
328.07581	1.7
368.08826	0.3
475.25766	0.3
491.58185	0.5
561.40442	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
61.21556	1.5
61.98713	2.7
88.94719	2.0
92.85380	1.5
93.03312	2.0
93.25452	1.7
96.58112	1.4
97.26537	1.5
102.43126	1.6
107.04890	2.7
109.02840	6.3
119.04998	1.9
121.02869	7.2
123.00819	1.8
123.04384	4.0
123.08072	2.9
124.01587	4.0
133.06464	2.4
137.02316	40.0
138.03134	12.1
145.02861	2.1
147.04390	2.8
147.08102	3.1
149.02383	3.0
149.06013	3.7
150.03067	2.1
151.03925	12.2
152.01135	1.9
157.89729	2.0
159.04456	4.1
160.05261	2.2
161.02322	2.1
161.05995	3.9
162.03197	6.6
176.01141	2.2
177.01849	14.4
177.05437	3.6
178.02695	7.5
179.03412	11.7
180.04228	6.5
182.51964	1.6
188.04715	2.4
191.03636	2.1
192.04216	8.0
193.05034	8.0
195.06525	14.6
203.10811	3.7
205.12424	5.0
206.05797	2.0
207.06639	2.9
209.04521	1.9
215.10840	5.2
217.12379	4.7
227.10716	2.4
228.72292	1.9
230.09398	4.3
231.10309	7.0
231.13998	4.9
233.11815	14.8
237.48457	1.7
243.10330	5.8
245.11813	41.1
259.09872	6.4
261.11319	18.2
263.12949	14.5
293.11945	3.9
310.08502	3.3
325.11093	1.8
327.08838	7.5
341.10303	3.8
355.08243	17.0
355.11853	2.1
356.09042	63.9
370.10669	7.0
371.11411	100.0
383.07883	2.6
407.15146	6.0
409.16608	12.7
524.61829	1.9
589.37646	3.1
597.22046	2.0
633.23303	2.4
633.37476	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	633.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38393	0.5
59.01225	1.7
61.27179	0.7
61.87954	0.6
82.02835	4.8
86.33316	0.7
94.02859	0.6
108.04409	0.7
112.03905	1.5
112.47615	0.7
120.04407	2.8
122.05998	1.3
124.03931	0.8
129.05412	1.1
134.05984	0.8
135.03094	1.0
136.07550	4.4
138.05539	1.1
139.02580	0.7
146.02408	0.8
147.03185	2.4
147.05545	0.8
148.03932	22.9
149.04720	9.4
150.05489	24.0
154.04993	2.4
158.06046	0.8
160.03931	2.2
161.04741	9.3
161.06981	0.8
162.05484	2.5
163.02640	2.4
164.03441	6.5
164.07074	0.8
166.08656	2.7
172.03914	0.7
173.03464	12.1
173.04713	0.9
174.04242	25.4
174.05524	2.3
175.05017	8.1
175.06348	5.4
176.05858	1.3
177.06613	1.6
186.05513	2.1
187.06352	3.6
188.07100	2.5
189.06612	15.6
190.04944	1.6
190.07388	28.9
191.05801	1.5
191.08185	3.8
192.02951	1.1
192.06520	1.1
200.07126	2.8
201.07880	3.2
202.07347	3.6
202.08722	3.7
203.06149	0.8
203.08116	1.5
213.10332	1.4
214.11107	2.6
215.08194	5.0
216.06854	1.1
216.10498	0.8
217.07428	2.6
217.09770	4.0
224.07103	1.0
227.09529	1.6
228.06624	2.5
228.16066	0.7
231.07732	21.4
232.08505	36.7
233.09224	6.8
241.09851	2.2
242.08174	3.6
242.10641	2.1
243.07439	4.6
243.11270	0.9
244.08597	10.4
245.07100	1.2
245.09297	3.0
246.07776	1.3
259.10941	1.7
261.08868	1.5
262.09622	3.0
263.10425	1.2
267.07605	1.7
268.08630	1.7
269.09424	0.9
285.08820	3.7
286.07294	1.0
286.09665	7.5
287.07712	1.0
287.10541	1.2
288.08847	1.3
289.09634	2.8
303.09891	3.2
304.10663	3.0
305.11185	1.3
315.13507	12.3
315.16898	1.0
337.10782	1.9
340.12885	6.0
359.42899	0.8
398.17218	25.7
399.17325	1.3
409.17734	2.1
410.17148	6.6
411.15628	0.7
428.18500	4.0
434.17343	3.3
449.15903	1.8
452.18280	13.9
453.16681	6.0
454.16251	1.0
467.17001	7.0
470.19342	100.0
471.19553	4.4
503.19772	1.1
561.23499	4.2
591.25244	1.2
615.24524	6.4
616.24377	0.8
633.25757	41.0
634.26141	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	633.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01230	0.7
61.96732	0.7
82.02856	3.6
89.91158	0.7
94.27568	0.7
96.04398	1.0
96.22758	0.7
108.04372	0.9
108.19936	0.8
110.05938	0.7
112.03900	1.5
120.04397	2.2
122.05993	0.9
124.03838	0.9
135.66943	0.8
136.07574	3.8
138.05435	0.9
139.02579	0.7
147.03064	0.8
147.29083	0.7
148.03922	15.8
149.04706	6.5
150.04376	1.2
150.05501	22.2
151.36610	0.7
154.04971	1.8
160.03929	2.2
161.04720	6.3
161.07014	0.8
162.05476	2.3
162.35022	0.9
163.02609	1.7
164.03455	5.0
166.08585	2.9
173.03456	10.3
174.04256	21.6
174.05562	1.8
175.05020	7.9
175.06290	3.2
176.05695	0.9
176.15477	0.8
177.06674	1.0
184.73370	0.7
187.06302	3.2
188.07159	1.8
189.06610	12.6
190.07391	22.1
191.05714	0.8
191.08188	2.6
200.07063	2.8
201.07881	2.4
202.07402	3.2
202.08926	1.9
203.08183	1.9
213.10223	1.1
214.10992	2.3
215.08185	4.0
216.06624	1.7
217.07381	3.2
217.09753	3.6
224.07317	1.1
228.06653	2.1
231.07736	16.2
232.08513	32.6
233.09325	5.4
241.09779	2.3
242.08154	2.3
242.10420	1.7
243.07803	3.4
244.08171	10.1
245.07062	1.4
245.09163	4.5
261.08646	1.3
262.09595	2.1
267.07697	1.9
268.08469	1.4
271.87787	1.0
285.08783	2.9
286.07010	0.9
286.09708	6.8
287.07739	1.4
289.09521	2.2
303.09872	3.2
304.10623	2.7
315.13507	11.1
337.10693	1.2
340.13025	4.3
369.14676	0.8
378.41312	0.9
398.17245	24.0
399.17426	1.8
409.17682	1.2
410.17123	7.3
411.15970	0.9
428.18210	4.4
434.17136	3.7
449.15952	1.3
452.18240	13.4
453.16708	7.0
467.16983	6.8
470.19330	100.0
471.19452	3.9
503.19189	1.0
561.23578	4.2
591.24463	1.8
615.24310	5.8
633.25745	40.3
634.26215	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	633.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86490	0.6
56.52218	0.6
59.01224	1.5
64.48251	0.7
79.86356	0.7
82.02837	4.5
83.84772	0.7
91.29060	0.7
91.73349	1.5
108.04410	1.0
112.03899	1.6
120.04424	2.2
122.05994	1.2
124.03869	0.8
129.05429	1.1
134.05981	1.2
135.03166	1.2
135.98781	0.8
136.07578	4.7
147.03177	1.8
148.02806	1.5
148.03932	22.6
148.05128	1.4
149.04700	9.5
150.05498	28.0
154.05011	2.0
160.03963	2.3
161.04726	8.0
161.07100	1.1
162.05516	3.6
163.02644	2.5
164.03421	7.8
164.07098	1.0
166.08612	2.9
173.03485	12.4
173.04860	1.1
174.04251	24.2
174.05554	2.0
175.05006	9.0
175.06320	5.2
176.05858	2.1
177.06578	1.2
186.05547	2.4
187.06322	4.4
188.07085	3.6
189.06625	18.3
190.05019	1.9
190.07384	30.2
191.05815	1.6
191.08156	3.6
192.06558	0.8
200.07071	3.6
201.07938	5.2
202.03706	0.9
202.07054	4.1
202.08727	3.7
203.08159	2.4
204.06650	1.0
213.06459	1.1
213.10313	1.5
214.11057	3.2
215.06154	0.9
215.08208	4.0
217.07355	2.4
217.09781	4.7
227.09399	1.2
228.03845	1.1
228.06641	2.2
230.10440	1.2
231.07712	24.7
232.08501	39.8
233.09259	7.1
239.08292	0.9
241.09911	2.3
242.08182	3.7
242.10484	1.6
243.07358	3.8
244.08228	13.3
245.06903	1.7
245.09337	4.4
255.02988	2.2
256.03671	1.2
257.03690	0.9
259.07416	0.9
259.10873	2.3
261.08710	2.0
262.09558	2.5
267.07712	1.8
268.08484	2.6
270.07425	1.1
284.03354	2.5
285.03592	2.4
285.08789	4.5
286.03922	2.5
286.07153	1.3
286.09692	8.3
287.10477	1.8
289.09625	2.3
303.09839	3.4
304.10776	4.0
315.13547	12.9
318.12564	0.9
337.10663	1.2
340.13089	5.9
356.16034	1.1
369.14465	1.4
398.17252	27.7
399.16354	1.1
409.17621	3.4
409.33929	0.9
410.17386	6.8
411.15707	2.0
428.18417	3.3
434.17233	3.5
449.15869	2.1
452.18307	15.7
453.16544	3.7
467.17053	5.5
470.19342	100.0
471.20065	1.3
561.23694	5.2
591.24713	1.8
595.15588	5.6
615.24817	6.2
633.25714	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22058	0.5
51.35764	0.5
52.36558	0.5
53.36711	0.5
55.01729	0.5
55.47189	0.4
57.03305	0.8
57.10922	0.4
58.00443	1.2
59.00062	1.0
59.01241	54.5
59.02539	0.6
61.98686	0.9
70.99667	0.9
71.01235	42.2
72.99149	2.1
73.02793	2.2
75.00713	0.6
78.95757	1.6
83.01247	4.2
85.02806	7.4
87.00734	10.2
89.00121	1.1
89.02294	60.6
95.01196	1.2
96.95860	3.7
97.02777	1.1
99.00703	0.6
101.02305	26.4
113.02306	22.5
113.03099	1.2
113.07595	0.6
113.69923	0.7
117.01839	0.6
119.03365	21.7
119.04771	1.1
125.02277	1.7
129.01846	0.6
131.03375	3.5
140.86948	0.6
143.03369	7.0
145.02809	1.7
149.04414	2.1
161.04434	10.2
163.03886	0.8
172.98714	0.8
179.05521	22.0
193.04973	0.7
205.19478	1.1
223.92210	1.1
231.17490	1.5
245.19026	1.2
249.18581	100.0
250.18890	3.2
263.20193	2.8
273.18582	1.3
291.19675	5.2
321.20676	1.2
323.09824	26.7
324.10294	0.7
341.10886	62.2
342.11166	2.0
426.56046	0.6
550.04706	1.2
573.29193	16.0
574.29523	0.9
633.28333	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01223	1.0
60.10479	0.4
60.74032	0.3
61.78780	0.3
63.28528	0.5
67.23524	0.7
67.23830	0.4
67.75061	0.3
75.71695	0.3
92.37229	0.3
95.35275	0.3
95.56196	0.4
96.95856	1.2
101.02274	0.5
101.99897	0.4
107.01222	1.3
122.06013	0.4
128.03387	0.4
128.04306	0.3
132.02023	1.1
135.00755	0.9
136.07555	0.8
138.05444	0.4
148.03905	1.2
149.04570	1.1
150.05467	1.9
151.00246	2.3
151.05859	0.6
161.04655	0.9
163.00201	0.5
169.01329	0.4
173.04593	0.4
174.04182	0.7
175.02414	0.6
175.04739	1.0
176.05188	0.4
178.99721	1.1
183.04425	1.4
185.02498	0.3
187.03894	0.7
189.06696	0.7
189.31036	0.3
190.07356	1.6
191.05618	0.4
191.07739	0.8
195.04427	0.5
199.03757	0.5
200.07118	0.4
201.07855	0.3
211.04012	1.9
211.05656	0.4
212.04471	0.4
215.08162	0.9
227.03452	46.1
228.03970	2.0
229.05014	0.9
229.13353	0.3
231.07678	0.5
232.08395	2.1
233.08963	1.2
239.03528	0.7
239.11832	0.6
241.09731	1.0
244.09909	0.6
245.10023	0.5
251.26436	0.3
255.02975	78.4
256.03561	6.6
257.04559	1.3
269.08902	0.5
283.02502	2.1
284.03262	100.0
285.03909	11.4
286.09390	0.4
290.09488	0.4
327.04990	0.5
362.18820	0.5
396.15665	0.6
399.17456	1.2
400.17923	0.6
424.18118	0.4
446.09171	0.4
461.10977	1.2
470.19153	1.3
471.09198	1.5
471.19632	3.6
472.19873	2.6
488.03683	0.4
489.10379	0.4
575.14276	0.5
577.10376	0.4
593.15710	0.6
617.26044	0.7
634.26202	1.0
635.16248	60.5
636.16534	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	635.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.2
66.24858	0.1
71.01225	0.1
78.95763	1.2
79.95586	1.7
89.02296	0.1
96.93020	0.7
96.95869	100.0
96.96865	2.9
96.98315	1.5
97.95808	0.2
101.02356	0.1
113.69080	0.1
117.75260	0.1
123.89362	0.1
127.07571	0.1
173.04477	0.1
183.02724	0.1
288.54016	0.1
307.08191	0.1
323.15750	0.1
590.27411	0.1
649.34637	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	635.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60255	0.1
68.71029	0.1
73.37965	0.1
78.95763	1.3
79.95591	1.8
96.66232	0.1
96.93301	1.4
96.95867	100.0
96.96870	2.6
124.40118	0.1
143.19858	0.1
207.91446	0.2
218.74489	0.1
364.92462	0.1
472.16116	0.2
639.45367	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	635.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.2
78.95766	1.9
79.95592	1.9
81.70407	0.1
84.30998	0.1
96.95871	100.0
96.96752	4.4
96.98457	1.4
97.95811	0.1
99.55235	0.1
101.99394	0.1
102.55812	0.1
125.02332	0.5
137.02316	0.1
157.56520	0.1
177.01845	0.4
178.94801	0.1
200.54396	0.1
214.00374	0.1
249.20290	0.1
289.07098	0.1
311.44638	0.1
355.44855	0.1
466.98618	0.1
496.93237	0.1
635.13171	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	635.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08688	0.7
57.54089	0.8
58.57147	0.9
60.30640	0.9
62.47795	0.8
91.47433	0.8
93.03307	1.0
96.47958	0.9
109.02826	4.5
121.02810	2.2
124.01548	1.2
125.02309	2.1
133.64049	1.0
137.02296	5.5
139.00255	1.1
145.02869	1.2
147.04475	1.4
150.03130	8.2
151.03909	11.0
151.87109	1.0
152.01012	3.9
152.02155	1.1
161.02292	1.6
162.03125	25.6
163.03836	3.0
165.05457	6.7
166.02551	1.8
167.03345	5.8
175.03835	1.3
176.01097	3.1
177.01871	3.3
177.05518	7.6
178.02625	2.3
179.03456	5.7
180.04201	62.6
190.02647	1.8
191.03384	2.4
193.04895	1.3
195.06561	100.0
196.06934	1.7
201.05394	1.1
206.73373	1.3
281.91333	1.3
285.11276	2.2
312.02451	1.4
312.09995	2.1
313.10861	2.9
326.52646	1.2
327.12277	2.4
387.11014	6.1
388.11557	1.6
389.12360	4.0
397.16556	3.1
407.14914	3.1
411.14444	3.4
425.15991	11.2
426.16977	8.5
440.18439	20.6
441.19232	46.3
442.19501	1.6
511.19092	1.3
617.23840	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.6
61.98684	1.1
80.61122	0.5
85.02796	0.4
90.66835	0.5
91.72708	0.8
96.95837	0.7
104.70139	0.5
107.04891	0.8
107.50908	0.5
107.84821	0.4
108.01981	0.5
109.02784	1.2
114.28511	0.5
121.02820	2.4
121.06374	0.5
122.03602	3.2
122.87782	0.6
123.04399	3.9
123.08021	3.6
124.01554	1.0
125.02312	0.6
128.16797	0.5
133.02859	0.7
135.04372	0.7
136.01549	8.0
137.02336	4.3
138.03101	1.0
139.00185	0.7
139.03870	1.2
145.02841	0.8
147.04396	0.6
149.02356	1.1
149.05969	0.5
150.03122	8.9
151.03905	16.2
151.07545	0.5
152.01031	2.6
158.92392	0.6
161.02322	1.8
161.05991	0.7
162.03120	21.9
163.03903	4.5
163.07556	1.2
165.05467	8.8
167.02155	0.5
167.03349	2.8
167.07022	1.4
174.45039	0.5
175.03902	1.6
175.07571	0.7
176.01115	1.0
177.01878	2.5
177.05478	7.2
178.02600	2.6
179.01898	0.9
179.03423	15.6
179.06964	0.7
180.04196	54.5
180.10616	0.8
181.04686	0.8
187.03812	0.7
191.03419	1.9
192.04247	1.3
193.05048	3.3
194.05765	9.7
195.06555	100.0
196.06943	1.5
198.73860	0.5
202.09949	0.6
204.04227	0.5
205.12268	1.1
209.15988	0.5
212.04561	0.8
215.10713	0.8
217.04965	1.1
217.12268	2.7
233.11794	3.8
245.11821	11.4
247.13358	5.5
259.09668	3.1
260.10571	1.0
261.11273	3.8
263.12842	3.2
329.10086	0.6
341.10229	0.7
353.03125	0.6
357.09824	1.9
357.13629	0.8
358.10635	3.8
359.11243	1.2
371.11368	1.7
372.12207	1.2
373.12985	12.8
387.10812	1.5
397.08865	0.6
403.10312	1.1
441.19373	0.7
495.20490	1.3
535.16803	0.6
617.23883	1.4
635.25555	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	635.25
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02405	4.2
58.30198	3.4
63.27385	3.1
71.33900	3.3
73.07117	3.9
74.75207	3.6
78.95729	4.7
96.95855	3.9
108.02038	9.1
109.02824	10.8
120.01988	4.1
123.04414	29.2
124.01554	7.6
125.05984	9.3
134.03278	4.7
136.01534	5.4
137.02310	27.2
138.03102	8.4
139.03859	6.2
148.01540	7.3
149.02287	6.6
150.03085	9.9
151.03883	25.9
152.01048	62.9
160.01558	10.1
161.02417	6.7
162.03139	13.7
163.03926	5.5
165.05513	6.1
166.02502	5.1
167.03438	63.0
174.02982	5.0
175.00305	4.0
175.03928	4.7
176.01079	49.5
177.01761	8.0
178.02634	9.7
179.03395	29.6
180.04216	26.3
187.03943	4.7
190.02664	6.6
191.03377	20.0
193.05025	14.9
194.02191	8.5
194.05789	16.2
195.06531	47.5
205.05084	6.8
209.04523	13.4
247.13467	18.1
281.43945	4.5
290.61673	5.2
356.09052	15.6
357.09875	8.6
371.11581	24.8
374.10031	4.9
387.10919	100.0
388.11826	17.4
389.12534	62.7
635.24963	14.3
644.76056	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	635.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46067	1.0
57.08453	1.0
68.31362	1.0
80.97421	1.0
84.95690	1.0
91.72636	2.3
190.01118	1.2
226.19789	1.1
245.64166	1.2
341.20236	1.2
395.26047	1.9
409.28241	1.7
431.15305	1.7
432.15942	5.1
446.17307	3.3
447.18231	12.2
460.43866	1.4
461.19897	5.3
474.16757	4.8
475.17770	36.1
489.19269	13.0
490.20053	2.5
522.83856	1.3
533.18445	4.8
635.25165	100.0
636.25470	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	635.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01154	0.4
59.01248	0.6
60.17093	0.4
67.78889	0.5
77.53822	0.4
78.95760	1.3
88.36919	0.5
96.96786	0.6
126.38035	0.4
132.35274	0.5
142.34084	0.5
148.03998	0.5
161.04745	0.7
244.09750	1.4
376.69400	0.6
403.15668	0.7
431.15128	2.5
432.15833	2.1
445.16885	2.2
446.17902	2.4
447.18158	2.0
460.15561	1.3
468.17764	0.9
473.20056	2.7
474.17038	7.3
475.17764	20.4
476.18317	1.4
488.18539	1.5
489.19409	5.1
490.19882	0.9
533.18164	15.4
534.19055	1.1
547.19983	1.6
548.20435	0.8
559.96722	0.6
592.22778	0.7
635.25153	100.0
636.25616	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	635.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83989	0.7
58.96955	0.6
59.01246	1.2
61.74712	0.9
69.03308	1.4
69.77044	1.3
72.99158	2.5
73.02819	1.5
81.10828	0.9
83.04884	1.4
86.41059	0.7
96.95833	1.0
97.02788	1.4
98.59397	0.8
99.04393	4.6
103.94842	0.7
115.03865	1.8
117.11446	0.7
125.02313	1.3
127.03893	2.4
132.17821	0.7
145.02820	1.0
149.05980	1.9
149.09648	1.4
151.07506	4.7
151.11186	2.5
153.12717	1.9
154.59346	0.7
159.04381	1.9
159.08083	1.2
160.71172	0.7
165.12753	13.2
179.07069	0.8
181.12270	9.1
183.13823	58.9
187.07573	1.4
188.08330	0.9
189.12590	0.8
204.11551	1.0
207.10362	0.9
209.11801	4.5
215.14394	4.0
216.11555	1.6
217.15923	38.0
218.16235	2.1
227.12840	82.0
228.13193	2.1
233.15416	1.2
235.17046	1.9
243.13853	1.6
245.15454	43.0
246.15773	2.2
261.15024	1.4
263.16559	6.9
269.56842	0.9
289.14420	7.6
294.41748	0.8
307.15671	2.1
333.13458	26.4
334.13806	1.1
351.14511	100.0
352.14847	2.8
379.13989	9.4
380.35175	0.9
407.13501	38.7
408.14264	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40166	1.2
59.01005	1.1
59.01238	13.1
69.20667	1.4
71.01230	3.1
73.02786	4.2
87.00728	1.5
94.06447	1.9
95.03616	2.0
101.02269	2.5
108.04411	1.8
110.05968	8.2
121.05166	2.0
122.05959	6.9
123.06752	1.7
124.07514	5.2
125.76482	1.6
128.03392	1.6
134.05981	3.7
136.07558	30.0
138.09125	64.4
146.05991	2.4
148.03891	3.8
149.08255	1.9
150.05460	2.0
160.06288	4.2
161.04829	7.4
161.07095	36.5
162.05464	3.5
164.10716	21.8
166.12279	2.2
172.06282	2.1
173.03288	2.9
173.07132	20.4
174.05438	3.1
174.07773	1.8
174.09160	2.5
175.05029	5.6
175.08650	3.7
179.08147	2.4
186.07828	4.9
186.09265	2.4
187.04988	3.0
187.08734	14.0
188.09424	2.9
189.10251	22.9
197.18697	1.5
198.09273	3.1
199.08678	5.1
200.09274	3.2
200.10770	5.4
201.10223	11.3
202.07358	4.7
203.08176	4.7
208.09760	18.6
212.10712	9.9
213.06619	18.9
213.09984	7.1
213.13950	2.0
214.07265	3.0
214.12619	11.1
215.08226	78.4
215.11748	36.3
216.06549	5.2
216.08516	2.8
217.13391	9.9
218.08119	5.9
223.08725	2.6
225.10303	5.2
227.08182	2.1
228.08983	4.1
228.12424	3.8
229.09650	2.0
229.13397	11.5
232.08482	3.7
233.06981	2.5
233.09279	41.8
237.10233	2.9
238.10730	5.7
239.08208	3.0
239.11810	3.8
240.08891	3.4
241.09795	82.6
242.10309	7.2
243.11356	36.4
244.09782	10.3
253.09943	2.4
255.11369	32.0
256.09653	2.1
257.12900	1.8
258.11346	15.1
259.07364	1.8
259.10886	8.9
261.12430	5.9
268.08594	3.6
269.09192	1.7
273.12350	4.5
282.12454	8.0
285.08905	10.0
286.09598	7.1
287.10330	9.4
294.12488	12.9
303.09879	25.2
304.10526	2.2
305.11505	10.2
308.13889	6.8
308.17603	5.3
310.15591	4.2
319.18091	2.5
319.61389	1.9
320.14078	3.4
324.13589	14.7
336.13565	12.4
337.18906	2.0
350.15039	3.2
354.14615	15.4
354.21704	1.7
362.14978	3.0
362.18820	8.4
363.16815	3.2
364.16748	3.9
380.16187	2.4
380.19980	11.3
381.18088	10.6
396.15652	96.3
397.15820	4.8
398.20776	5.0
410.20856	2.1
411.19632	2.3
424.18820	40.1
425.17657	4.9
442.19852	100.0
443.20044	5.3
454.19769	12.1
455.18991	2.4
466.16302	25.0
467.16367	2.9
468.17508	8.4
471.23923	2.7
472.20871	48.7
473.21304	3.1
498.19455	2.3
543.25708	12.2
561.27209	4.1
587.25006	4.1
591.27985	2.6
605.26221	91.0
606.26599	7.6
635.27148	77.2
636.27264	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	635.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32194	0.9
57.03321	0.6
59.01251	1.2
59.62433	0.8
63.98281	0.5
66.69370	0.5
69.91026	0.5
71.06473	0.6
71.74251	0.6
73.29818	0.6
73.53299	0.6
77.57181	0.6
80.40808	0.6
82.02836	6.2
85.39584	0.6
91.72863	0.6
96.04399	2.0
98.07161	0.9
106.13028	0.6
110.02414	0.9
112.03899	2.6
120.04411	5.1
121.06486	1.3
122.06046	1.4
124.03945	1.0
125.35591	0.6
129.05428	3.7
134.06056	1.3
136.07541	4.6
138.09134	2.6
146.05998	1.0
147.04407	1.8
148.03929	35.5
148.07579	0.7
149.04700	2.5
150.01942	0.9
150.05493	21.3
154.05013	2.5
159.03168	0.9
159.08081	1.0
160.02693	1.2
160.03920	11.0
160.61334	0.7
161.04720	69.3
162.05484	5.3
163.02667	1.4
164.03452	2.4
164.07114	0.9
173.03514	5.3
173.04776	1.6
173.06049	1.6
174.04253	9.3
174.05551	4.0
175.05032	59.4
176.05846	5.4
177.06546	1.0
186.05461	1.7
187.06297	4.7
188.07130	1.9
189.06590	3.8
190.05013	1.0
190.07408	9.9
191.08220	8.6
199.07605	0.8
200.07089	2.0
201.07854	2.9
201.09494	3.2
202.03735	1.5
202.08743	11.5
203.04538	15.2
203.08250	1.9
204.04938	1.0
204.06647	1.3
211.06735	0.8
214.04895	0.7
214.11105	1.7
215.05913	2.2
215.08096	1.5
216.06650	7.3
216.10226	1.8
217.07552	1.4
217.09782	1.3
219.11417	1.8
226.08742	2.0
227.09550	0.9
228.06667	2.5
229.07387	3.2
231.07785	2.6
232.08519	14.6
233.09286	32.6
234.09688	0.9
242.08269	1.4
242.10416	0.8
243.07658	1.1
243.11363	1.0
244.09816	100.0
245.09288	8.5
246.07791	1.6
262.09631	0.8
263.10434	3.0
268.08499	1.3
269.09583	1.1
285.12552	1.1
286.09677	3.4
287.10440	7.8
287.14050	2.3
288.08780	14.5
289.09827	0.9
295.10999	1.8
305.11450	30.1
312.13538	1.7
338.11481	15.5
339.12253	2.0
370.17563	3.2
376.35233	0.8
381.18509	0.8
382.17813	1.1
396.15942	1.8
400.18842	2.9
412.19208	1.0
424.18927	1.2
425.17178	0.8
426.17154	0.9
442.19815	9.5
454.19730	1.3
455.18539	1.5
467.17157	2.5
468.17770	58.1
469.18326	0.9
472.20804	17.0
563.25220	1.6
587.26038	0.9
605.26294	12.4
617.26453	1.5
635.27423	11.0
652.18256	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03849	0.7
56.80057	0.9
59.01244	1.5
61.07574	0.8
82.02823	6.2
82.31073	0.9
82.31555	0.9
83.04888	1.0
91.73384	2.3
94.66819	0.9
96.04436	1.2
98.48887	0.9
108.04382	1.3
112.03922	2.3
115.74764	1.0
120.04388	3.3
125.92309	0.9
129.05440	4.9
133.05431	1.1
134.06041	1.0
136.07545	2.2
138.05595	1.0
138.09119	2.7
147.03146	1.4
147.04395	1.3
148.03925	37.5
149.04655	2.8
150.01880	1.1
150.05484	21.3
154.04994	2.4
159.08051	2.4
160.03915	8.6
161.04721	64.3
162.05423	5.5
164.03421	3.6
173.03477	3.6
173.04732	1.6
173.06012	1.8
174.04247	8.7
174.05566	4.1
175.05029	58.5
176.05733	5.4
177.06465	1.8
179.08052	1.1
184.86281	1.1
186.05524	3.1
187.06256	2.7
188.07109	1.9
189.06635	3.9
190.07353	9.7
191.08168	7.3
200.07098	1.2
201.07800	2.6
201.09384	2.1
202.03798	1.8
202.08743	12.9
203.04523	14.6
203.08189	1.2
204.06667	1.5
214.11073	1.7
215.05826	2.5
216.06589	5.6
217.07562	1.1
217.09683	1.3
219.11284	1.5
226.08664	2.2
227.07260	1.3
228.06664	3.1
229.07439	1.4
231.07748	2.6
232.08452	14.4
233.09299	29.0
233.11571	2.0
234.09648	1.8
243.11441	1.6
244.09799	100.0
245.09451	9.7
263.10370	1.9
268.08615	1.7
270.07318	1.1
286.09610	3.5
287.10352	7.6
287.13492	1.4
288.08734	15.6
289.09348	2.9
295.10913	2.9
305.11411	34.4
306.11786	1.6
312.13626	1.1
338.11493	15.1
339.12170	1.7
370.18005	1.7
382.17917	1.4
396.15607	2.2
400.18893	3.0
412.18863	1.3
424.18729	2.0
442.19843	8.0
450.17053	1.7
454.20291	2.3
455.12057	1.3
455.18243	2.2
467.17429	3.6
468.17776	67.9
469.18250	5.2
472.20920	12.1
473.21246	1.9
587.25806	1.6
605.26300	13.9
617.26160	2.5
635.27191	12.0
636.27881	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	635.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32185	0.7
54.96625	0.3
57.03314	0.5
59.01253	1.9
66.03333	0.4
68.01378	0.4
71.01261	0.6
74.41829	0.4
82.02837	5.5
82.31107	0.4
83.04893	0.6
83.95636	0.4
86.07946	0.4
93.83958	0.4
96.04391	1.3
96.05680	0.4
107.04890	0.4
108.04404	1.3
110.02332	0.4
110.06010	0.8
112.03925	2.3
120.04415	4.1
121.06471	1.3
122.02386	0.7
122.05991	1.1
124.03873	0.4
124.07550	0.5
128.83707	0.4
129.05440	3.5
132.04425	1.0
134.05946	0.8
136.03928	0.6
136.07562	4.1
138.05487	0.8
138.09138	4.2
139.02690	0.4
147.03166	1.1
147.04411	1.0
147.05527	1.0
147.99344	0.5
148.03931	36.2
149.04730	1.9
150.01874	0.7
150.05495	22.0
151.05792	0.4
154.04953	1.9
159.05565	0.6
159.08040	0.8
160.02690	0.9
160.03926	10.5
161.04723	63.9
162.05498	5.0
163.02684	1.1
164.03484	2.1
164.07071	1.1
166.72342	0.4
172.03958	0.5
172.05269	0.5
172.07509	0.5
173.03468	6.3
173.04730	1.2
173.06020	1.1
174.04245	7.8
174.05565	3.8
175.05034	62.9
175.06090	3.5
176.03482	0.8
176.05815	5.6
177.06555	1.4
179.08179	0.7
186.05553	1.6
187.06352	4.0
188.07230	1.8
189.06563	4.1
190.04951	0.7
190.07368	12.7
191.08194	8.7
192.06625	0.4
198.09174	0.6
199.07646	0.5
200.07092	2.1
200.10838	1.0
201.07570	3.2
201.09196	2.4
202.03751	1.3
202.08800	9.6
203.02637	0.9
203.04544	14.8
203.07968	2.6
204.06618	1.6
213.06726	0.8
213.10281	0.7
214.05026	1.1
214.08989	0.6
214.11067	1.2
215.05894	2.0
215.08220	1.4
216.06679	6.0
216.10263	1.2
217.07512	1.0
217.09644	0.8
218.08148	0.4
219.11380	1.4
226.08719	1.9
227.07150	0.8
227.09375	0.6
228.06606	2.2
229.07533	3.4
231.07706	2.0
232.08507	12.6
233.09286	30.1
234.07681	0.7
234.09778	0.6
241.09842	2.1
242.08311	0.9
242.10583	1.0
243.07584	1.1
243.11403	1.7
244.00125	1.0
244.09805	100.0
245.06908	0.8
245.09273	8.8
246.07698	0.9
247.08495	0.6
255.11302	0.5
259.10928	0.8
261.12555	0.7
263.10358	3.3
268.08569	1.0
269.09467	0.8
270.07684	1.2
281.09409	0.5
285.08850	1.2
285.12216	0.6
286.09634	3.6
287.07477	0.5
287.10434	7.7
287.14017	2.2
288.08780	13.2
289.09546	2.0
295.10947	2.4
303.09796	0.6
304.10568	1.1
305.11453	32.5
306.11914	0.8
312.13602	1.7
325.43842	0.4
328.16571	0.6
337.10767	0.5
338.11508	13.2
339.12198	1.8
339.16394	0.5
342.14478	0.5
370.17838	3.4
381.18359	0.7
382.17584	0.9
396.15533	2.2
400.18918	3.6
406.17874	0.8
412.18942	1.3
424.18768	3.0
425.17368	0.6
426.16644	1.1
442.19830	9.8
450.16928	0.8
454.19904	2.1
455.18228	1.4
467.16968	2.6
468.17789	61.1
469.18161	1.3
472.20895	14.9
495.68524	0.4
533.24121	0.5
563.25238	1.8
587.25177	1.4
605.26245	13.8
606.26721	0.8
617.26306	1.5
635.27216	11.4
635.37622	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48022	0.9
52.91158	0.8
57.62320	1.0
59.01222	4.3
63.92367	0.8
70.82616	0.9
71.01229	2.5
76.94691	1.1
82.02825	2.8
85.95206	1.1
96.95841	1.1
112.03864	1.5
120.04396	2.9
124.64545	1.0
134.05943	3.1
136.07576	16.3
138.08150	1.1
138.09137	17.4
148.03011	1.1
148.03929	13.4
149.04584	1.2
149.08304	1.8
150.05502	11.6
154.05040	1.3
160.03905	3.1
161.04745	20.0
161.07085	22.9
162.05524	9.2
164.09477	1.3
164.10715	19.6
173.03406	2.7
173.05893	1.6
173.07126	15.3
174.04208	4.1
174.05533	2.2
174.07892	1.9
175.05032	30.1
176.05785	2.0
187.04996	4.2
187.08615	4.8
189.06616	3.5
189.10255	9.8
190.07362	3.6
191.08128	4.0
198.09167	1.3
199.08481	2.1
200.05687	2.0
200.09273	1.5
201.10271	1.9
202.08662	4.6
203.04482	3.3
208.09734	12.2
213.06735	7.5
213.10207	3.7
214.12427	2.0
215.08214	100.0
215.11612	20.3
215.16483	1.3
216.06494	3.0
216.08376	1.6
216.10297	1.5
217.13387	2.4
223.08646	1.9
225.10303	1.9
229.13445	3.4
232.08476	5.8
233.09285	46.4
238.10773	4.3
239.08273	2.3
239.11763	1.4
240.08969	1.9
241.09805	62.2
242.07997	1.8
242.10254	1.6
243.11324	15.0
244.09831	34.2
245.09348	2.9
255.11388	21.5
255.89935	1.2
259.07269	5.1
259.10919	6.1
261.12408	3.0
263.10486	1.2
273.12567	2.0
285.08844	13.4
286.09561	2.6
287.10477	7.0
287.13507	1.5
288.08701	4.3
303.09848	23.6
305.11414	18.7
319.18018	1.6
324.13550	1.6
338.11319	2.4
349.20087	3.3
362.18854	6.1
370.17700	1.5
380.19781	5.3
381.17926	2.1
391.21338	1.7
396.15683	34.2
398.20474	1.8
400.18857	1.5
406.17575	2.9
410.20642	3.0
424.18799	16.9
428.21991	1.6
442.19788	16.4
454.19861	11.0
466.16238	14.4
468.17740	27.2
472.20938	36.1
473.21039	1.3
598.42700	1.3
605.26251	9.6
635.27026	50.9
636.27155	3.0
654.38678	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41824	1.0
57.03305	4.5
58.03740	0.9
58.03968	11.3
59.01233	1.4
61.98685	4.3
75.44472	1.0
76.96182	1.0
80.83234	1.0
81.03316	1.2
81.12601	1.2
83.04892	4.3
83.05988	1.7
93.03337	1.5
94.42056	1.0
95.04929	1.2
96.95856	1.6
97.06463	1.8
99.08028	9.6
107.04874	1.2
109.02800	2.3
110.07073	2.5
112.08667	12.7
120.02038	2.1
123.04369	8.0
123.08034	8.6
124.01516	2.8
127.09752	5.4
129.11366	6.5
131.08516	1.1
135.04346	1.2
136.01521	1.6
137.02281	2.6
139.00233	1.7
139.03870	2.5
149.09613	2.7
150.03166	1.5
151.00204	1.5
151.03935	4.9
152.01025	9.1
153.01762	2.0
160.01547	3.1
161.02400	2.4
162.03110	1.9
163.03893	3.0
165.05452	1.8
166.02583	2.6
167.03429	11.9
173.10455	1.4
175.07605	1.5
176.01062	9.1
177.01833	3.7
177.05489	2.0
178.02618	3.5
179.03404	3.0
180.04189	4.2
191.03467	5.9
193.04970	4.8
194.02092	1.6
194.05746	1.9
195.06511	7.5
205.04961	1.2
205.12112	1.6
209.04539	3.1
215.14378	20.8
216.14757	1.3
217.12216	2.3
231.04939	1.1
231.13895	5.2
233.15445	4.2
235.11264	2.0
244.13496	2.9
245.11803	1.5
245.15511	2.2
247.13277	2.8
253.12286	4.2
256.13361	5.5
258.15054	6.0
264.61765	1.4
271.06119	1.2
282.14960	1.4
283.44910	1.1
299.09491	1.2
315.20804	15.0
329.22385	31.0
347.20114	1.5
357.09857	2.5
357.23114	7.1
358.10641	1.3
359.11273	1.8
359.20248	10.6
360.19855	6.6
366.20691	3.9
371.24469	13.2
374.10379	2.2
377.21283	9.3
387.10852	22.9
388.11655	4.9
389.12567	6.9
433.27505	4.7
443.25995	1.6
451.28607	3.2
461.27002	3.4
463.28552	1.5
549.36890	16.5
573.38171	11.5
574.37000	3.2
591.39240	100.0
592.39795	3.8
635.26184	4.8
635.38226	43.1
636.37921	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90680	0.4
55.09220	0.4
67.07137	0.5
68.94906	0.5
72.78118	0.4
73.49534	1.0
73.49954	0.9
78.95703	0.7
80.24797	0.5
92.02489	0.6
93.34383	0.5
105.48594	0.5
106.04109	2.7
108.02011	0.6
119.04887	7.6
121.02813	3.8
133.06448	3.2
148.87985	0.6
161.09650	0.6
161.90309	0.5
199.13284	1.6
200.13680	0.9
237.77901	0.8
273.22260	100.0
273.33765	1.0
274.22540	0.9
290.33307	0.7
317.21234	92.2
318.21506	1.4
635.41431	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00176	1.2
59.01242	100.0
59.02481	1.9
60.01578	0.5
63.57875	0.6
70.07094	0.4
71.01242	2.5
89.02295	4.5
101.02285	2.2
113.02289	1.1
119.03391	1.6
120.20087	0.4
179.05531	0.8
292.97943	0.4
429.41779	0.5
527.94281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71410	1.2
55.42475	1.2
59.01234	1.8
59.94608	1.4
61.98688	4.2
81.00091	1.7
81.81020	1.2
82.52439	1.3
83.64037	1.2
88.93870	1.3
91.72718	2.6
93.03309	2.3
96.95873	1.4
99.70127	1.2
108.02026	3.8
109.02840	5.8
111.00761	1.7
120.02049	1.7
121.02837	3.9
123.00776	4.4
123.04361	3.1
124.01520	5.0
125.02303	3.5
132.02066	3.4
135.04373	2.7
136.01579	3.0
137.02364	10.7
138.03072	3.4
139.00256	3.6
139.03899	7.0
145.02835	1.9
146.03555	2.7
147.04428	3.9
148.01569	3.5
149.02327	3.3
149.06001	1.9
150.03108	13.8
151.00249	4.0
151.03883	19.9
152.01042	33.6
153.01859	2.1
154.02641	2.0
159.00780	2.4
159.04402	2.4
160.01552	6.3
161.02354	7.4
162.03128	27.3
163.03923	9.0
165.05472	10.0
166.02641	4.6
167.03398	36.2
169.72997	1.5
174.03145	1.8
175.03912	4.0
176.01062	25.5
176.04648	2.9
177.01859	8.5
177.05414	6.7
178.02608	18.3
179.03389	27.4
179.07066	4.9
180.04198	61.0
181.04779	3.1
190.02626	5.7
191.03419	18.4
192.04175	4.1
193.04979	23.1
194.02173	4.6
194.05763	20.7
195.06563	100.0
196.06902	4.9
200.95105	1.5
205.04991	4.9
209.04517	6.4
215.35431	1.9
217.05104	1.8
221.93559	1.4
235.06180	1.6
285.11343	1.6
286.12033	1.8
315.48880	1.6
341.10376	2.5
345.13446	3.2
357.09711	7.4
359.45331	1.4
372.12430	1.9
373.13071	3.9
379.15472	1.8
387.10898	74.0
388.11624	21.4
389.12341	2.2
397.16684	2.9
398.17267	7.0
413.19690	25.9
423.17853	1.9
441.19186	5.9
443.20914	6.0
561.31702	1.8
637.26569	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2658
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.20652	1.8
54.28058	1.7
58.77984	1.9
59.01225	1.6
59.26928	1.8
61.98679	3.1
68.50367	1.8
80.22211	2.0
96.95844	2.6
107.04853	2.2
109.02807	10.4
124.01544	3.6
125.02290	3.4
125.95446	2.2
136.01530	7.1
136.29604	2.3
137.02325	44.9
138.03065	8.1
139.03854	4.7
151.03864	15.2
152.01073	15.7
153.01749	3.3
159.40611	2.3
162.03052	4.0
163.03967	3.1
166.02588	3.0
167.03410	30.9
177.01794	6.4
178.02657	3.6
179.03403	4.3
191.03438	6.3
192.04140	3.3
193.04880	6.2
204.04047	2.9
227.40047	2.4
236.83296	2.4
265.71027	2.9
272.72345	2.2
301.40695	2.9
358.10699	2.6
373.08792	3.1
373.12863	7.0
378.83170	3.6
384.40234	2.9
388.11774	3.7
389.12463	4.1
414.81750	2.8
513.15594	2.5
622.24213	15.5
637.26587	100.0
638.27405	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	637.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41985	10.7
58.85697	9.1
59.01264	36.7
59.74776	8.5
60.21886	8.4
61.98703	12.6
71.01274	26.8
89.02337	35.1
94.37726	9.5
101.02354	19.3
113.02341	15.8
119.03432	18.5
125.02388	14.3
141.65405	13.5
146.62495	11.3
179.05544	29.4
206.67204	14.8
215.03308	14.0
240.55812	12.1
244.36952	13.2
246.51985	12.0
277.21707	100.0
299.50708	13.0
323.09991	38.2
341.10843	55.2
462.24698	15.6
555.43726	13.6
601.32306	37.7
637.29938	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.60600	0.3
67.32211	0.3
67.32514	0.6
69.73225	0.3
82.47038	0.3
93.03344	0.7
98.83408	0.3
105.04432	0.3
121.02824	9.0
122.03639	1.1
147.74771	0.6
147.75987	0.7
172.39624	0.5
194.07410	0.6
196.05280	0.7
198.07037	0.3
207.08192	2.3
210.06989	0.3
211.07645	1.6
212.08389	1.6
225.09190	3.8
239.10756	0.9
244.07367	0.6
253.12279	0.5
267.13950	0.7
273.22379	0.4
275.23801	3.1
281.15433	0.5
290.22522	3.1
291.23337	3.5
295.17120	0.5
309.18768	0.8
319.23135	0.3
319.77908	0.4
323.19995	0.9
337.21640	0.6
351.23193	0.7
363.26962	3.3
365.24808	0.4
378.25403	0.4
379.26431	1.2
380.27359	1.1
392.23343	0.4
393.28064	1.8
407.25784	1.3
412.26401	1.0
531.45850	0.6
547.45020	1.9
549.46826	81.3
550.47412	2.4
575.44769	1.3
593.45837	4.6
619.43835	2.8
637.44800	100.0
638.45032	2.6
653.89557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72658	0.2
53.99721	0.3
55.19044	0.2
63.02254	0.8
65.00176	1.7
67.01749	0.3
71.01243	0.3
71.15627	0.2
71.62782	0.2
79.01769	0.9
83.01241	1.3
91.01758	0.3
91.73322	0.2
95.01247	2.2
99.96233	0.5
103.36071	0.2
107.00568	0.3
107.01246	4.0
108.02036	0.2
115.05405	0.5
117.03323	0.7
119.04874	0.3
121.02821	0.5
125.02320	0.3
129.04688	0.2
130.04137	0.7
131.04857	0.4
132.02019	0.4
133.02853	0.3
135.00739	0.7
135.04414	0.4
143.04890	1.3
145.02824	1.1
146.03593	0.6
147.04364	0.8
149.02292	0.4
151.00256	21.7
151.04948	0.3
152.00993	0.5
153.01855	0.4
155.04883	0.3
157.02856	0.3
158.03635	1.7
159.04425	1.6
160.01622	0.2
161.02361	1.0
163.00258	0.3
163.03891	0.8
165.01820	0.3
165.78493	0.2
169.01308	0.8
169.02660	0.2
170.03571	0.4
171.04388	1.1
172.01579	0.4
173.02397	1.1
174.03130	4.0
175.03825	0.4
176.01054	3.5
176.52831	0.2
177.01877	0.7
178.56317	0.2
178.99765	8.0
185.02397	0.6
186.03133	1.4
187.03920	2.7
189.01801	0.7
190.99744	0.4
191.03403	0.4
192.00404	0.2
193.01285	0.3
198.03090	0.3
199.03922	0.6
200.01089	0.3
201.01791	1.3
202.02638	5.4
203.03453	4.1
205.01379	0.3
206.99341	0.3
207.02974	0.3
209.00897	0.5
213.01875	0.7
214.02684	2.9
215.03433	4.3
216.00607	0.4
217.01395	1.8
218.01950	0.2
219.02888	0.9
228.78235	0.2
229.01401	1.2
230.02141	1.3
231.02968	4.1
232.00160	1.5
232.03688	0.3
233.00859	0.5
241.01393	4.1
242.02173	5.2
243.02957	5.9
245.00891	1.6
245.04399	0.3
257.00821	1.0
257.04688	0.3
258.01682	2.8
259.02441	4.4
260.03339	0.3
261.04047	0.6
285.04108	0.3
286.01208	20.7
287.01984	100.0
288.02371	2.2
316.02478	0.4
329.03021	0.6
331.04324	0.3
373.73074	0.2
495.53613	0.3
551.14233	1.9
595.13092	53.6
596.13629	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93321	0.4
63.02251	0.7
65.00184	1.7
83.01227	1.7
86.86588	0.4
87.04514	0.8
95.01238	6.8
99.75501	1.1
99.76116	1.0
107.01241	5.7
115.05407	0.5
119.91708	0.5
121.02828	0.9
125.02321	1.6
126.12652	0.7
130.04108	1.5
131.04865	0.6
132.02043	0.6
137.02284	0.9
143.04910	0.9
145.02823	1.3
146.03572	1.3
147.04337	0.8
149.02293	0.5
150.73743	0.5
151.00259	25.6
158.03636	2.6
159.04398	1.8
160.01637	0.5
161.02325	0.8
163.00327	0.5
163.03925	1.9
165.01779	0.7
167.03413	0.9
169.01335	1.6
173.02354	1.8
174.03122	12.2
175.03824	0.7
176.01067	12.6
177.01874	1.3
178.99789	6.6
186.03137	1.9
187.03969	2.5
189.01910	0.9
189.05515	0.6
191.03328	0.6
199.04008	0.6
201.01901	2.3
202.02654	19.5
203.03313	2.6
205.01341	0.7
207.99960	0.5
209.04384	0.5
213.01941	1.1
214.02666	4.3
215.03429	2.6
216.00792	0.4
217.01389	2.1
219.02873	0.6
227.03520	0.7
229.01382	4.5
230.02173	5.5
231.02931	9.3
232.00098	5.5
241.01402	2.6
242.02168	5.7
243.03061	2.3
245.00882	1.1
255.03012	0.8
257.00787	1.0
258.01682	10.5
259.02487	5.9
271.02594	0.8
285.00473	3.3
285.03766	0.7
286.01202	100.0
287.01950	21.8
287.05261	0.8
300.06534	0.5
329.03070	1.0
353.22125	0.5
379.06415	0.7
405.08231	2.1
431.06097	0.8
432.07034	1.2
433.07779	79.4
433.40579	0.5
434.07999	2.5
449.07214	13.8
450.22989	0.6
562.88318	0.5
595.13104	87.5
596.13422	4.1
615.53046	0.5
639.19708	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43160	0.1
54.41395	0.1
59.66552	0.1
63.02243	0.2
65.00180	0.3
67.88315	0.1
72.22156	0.1
80.84938	0.3
83.01224	0.2
83.33056	0.1
93.80485	0.1
98.85020	0.2
99.98430	0.1
106.06712	0.2
107.01234	1.0
108.94224	0.2
108.94867	0.3
124.01504	1.4
124.22233	0.2
125.02313	0.5
135.00751	0.3
136.01515	0.4
137.02356	0.2
143.04851	0.2
147.23479	0.2
148.01492	0.3
149.02316	0.3
151.00241	3.3
152.01028	1.6
158.03566	0.2
159.04408	0.4
163.00250	1.1
164.01035	1.6
165.01855	0.2
171.04396	0.6
173.02321	0.2
175.03944	0.4
177.01814	0.2
178.99774	3.0
183.04486	0.2
187.03816	0.8
188.04684	0.2
191.03473	0.3
192.00642	0.4
193.01378	0.2
197.02286	0.3
199.03935	0.6
203.03403	1.8
204.04167	0.5
205.01280	0.3
206.02008	0.2
213.01938	0.4
214.02647	3.7
215.03424	2.4
217.01448	0.4
219.02986	0.3
227.03522	0.5
231.02939	1.7
232.03674	0.6
238.47661	0.2
241.01263	0.8
242.02194	3.4
243.02946	4.0
244.03676	0.3
245.00845	0.3
258.01605	0.2
259.02475	7.1
260.02866	0.4
269.00638	0.2
270.01688	4.7
271.02487	25.9
272.02881	0.5
286.01218	0.3
287.01971	30.1
288.02667	1.3
294.58594	0.2
297.00204	0.2
298.00980	0.2
299.01968	0.3
300.02631	0.2
301.03540	0.3
313.03555	0.2
315.01480	26.2
316.02231	100.0
317.02603	2.2
329.02908	0.2
329.99918	0.2
330.03830	7.3
331.04599	61.4
332.04932	1.5
358.03281	0.2
373.05441	0.2
415.42856	0.2
479.07858	0.4
624.13385	0.6
639.15704	37.4
640.16089	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.2
65.00220	0.4
71.24157	0.5
80.59782	0.6
89.16734	0.5
103.76076	0.4
107.01253	1.6
108.73811	1.0
108.74448	0.9
111.74060	1.0
111.74796	1.0
113.02317	0.5
135.00772	0.5
136.01486	0.5
143.04903	0.9
151.00255	8.1
152.00964	0.6
159.04437	0.6
163.00252	1.6
163.11195	0.6
169.01343	0.7
171.04497	1.7
173.02451	0.5
173.04449	0.9
175.03867	0.6
176.59953	0.5
178.99757	6.9
187.03967	2.3
189.01799	0.6
193.79677	0.6
199.03914	2.8
201.01915	1.0
203.03458	7.8
213.01906	0.6
213.10718	0.6
214.02707	0.6
215.03465	4.6
217.01422	0.8
230.02156	0.8
231.02953	6.6
241.01442	0.7
242.02176	1.7
243.02975	10.1
246.31813	0.5
248.99788	0.5
258.01736	1.4
259.02472	19.6
269.00952	0.9
270.01691	1.9
271.02478	18.8
285.04062	1.6
286.01190	3.1
287.01974	34.9
301.03516	4.1
302.04453	0.6
313.13077	0.9
315.01480	75.6
316.02148	9.0
317.02966	0.6
329.03030	4.3
330.03827	82.7
331.04514	9.0
344.05450	0.6
345.06104	2.2
368.05365	0.6
378.24741	0.5
465.27338	0.9
477.10065	0.6
607.13116	0.6
610.40454	0.5
639.15717	100.0
640.15967	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	639.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	1.2
76.59686	0.5
76.66545	0.5
79.95599	1.2
82.99644	0.4
89.02264	0.6
89.78799	0.4
91.73252	0.5
96.95875	5.4
98.11197	0.5
102.96933	0.4
104.56831	0.4
107.01235	0.8
108.02036	5.9
109.02771	2.2
111.54145	0.9
111.54946	1.1
115.99938	0.4
120.99518	0.8
122.97440	0.7
123.04353	2.5
125.02286	1.0
137.02327	0.7
147.04416	4.6
151.00282	3.3
152.01036	13.3
157.26610	0.5
159.04404	0.5
162.93980	0.5
163.00255	1.0
164.01071	1.3
167.03409	14.6
174.03163	1.6
176.01079	0.5
176.79250	0.5
177.01801	0.6
178.99791	0.8
187.03822	0.6
193.55019	0.5
202.02614	2.5
203.03383	1.5
213.05505	1.0
214.02596	0.8
215.03412	1.4
215.09155	1.0
216.04150	0.6
224.04716	0.8
226.89981	0.5
227.03400	0.8
230.02167	5.9
231.02904	1.3
239.03558	0.6
240.04201	1.1
241.01443	1.0
241.05052	2.3
242.02194	2.6
243.02940	2.3
243.89456	0.5
255.03091	0.5
258.01718	13.3
259.02505	3.4
267.02991	1.5
269.00873	1.1
269.08261	1.8
270.01770	2.3
270.08704	0.5
271.02475	2.4
271.09863	2.3
272.03415	0.5
273.04132	0.6
284.03271	1.1
285.00885	0.9
285.04019	5.8
286.01224	33.7
287.01947	9.7
288.02740	0.8
298.01093	1.0
299.01999	0.9
301.03552	18.8
311.02362	0.7
313.07294	1.1
314.00708	6.4
314.98679	0.3
315.01480	15.6
316.02209	8.2
329.03046	100.0
330.03732	9.1
331.04626	30.5
433.07864	0.8
441.08344	1.1
461.07297	3.7
462.07916	2.4
471.09491	2.8
476.09637	28.2
477.10370	19.9
485.07370	1.2
493.09964	12.3
495.21066	0.7
632.40930	0.5
639.15625	76.8
640.15869	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	639.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41784	0.2
57.03310	0.8
59.01244	1.2
59.03827	0.3
61.20142	0.2
65.91182	0.2
66.82446	0.2
68.16875	0.2
71.04878	0.9
72.80307	0.2
77.59464	0.2
83.01249	0.6
87.31229	0.2
87.44299	0.3
97.53194	0.3
99.08010	13.8
101.02276	0.6
107.01265	0.5
115.50581	0.3
125.02310	7.2
127.07513	12.5
129.05443	44.4
129.09192	0.6
130.05775	0.6
143.06978	0.4
145.08592	2.0
149.02312	0.9
151.00267	2.3
153.01822	0.6
171.06512	3.2
173.04482	0.3
175.88676	0.2
176.74905	0.3
177.05450	0.3
178.99799	1.2
189.07597	100.0
189.14264	1.0
190.07942	1.7
201.05469	0.5
215.07056	0.5
259.06097	7.0
260.06497	0.3
269.04550	5.6
284.01563	0.3
287.05603	3.1
328.04053	0.3
408.20071	0.3
449.10867	12.6
450.11200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	11.7
64.46940	2.7
96.95880	4.9
109.02828	9.3
118.61293	2.5
134.03647	3.4
151.03918	4.6
152.01086	2.7
157.76421	2.4
161.02402	3.5
162.03117	78.0
163.03833	4.5
175.03958	4.2
176.34761	2.4
177.05486	100.0
178.05865	2.5
179.03421	5.3
180.04086	2.5
191.03198	3.1
195.06531	4.1
235.16254	2.6
267.06583	10.0
373.13074	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	639.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20319	2.9
57.34393	3.0
59.01236	4.0
59.08731	3.4
61.98693	31.9
91.43717	3.1
96.95914	5.6
106.67651	3.6
108.01997	5.3
109.02802	6.2
121.02821	12.6
123.00757	4.1
123.04415	4.9
125.05939	5.3
137.02325	5.4
147.04446	5.5
151.00253	4.3
151.03896	11.3
157.09355	3.9
162.03120	87.6
163.03870	11.0
177.05489	100.0
179.03453	9.0
180.04199	13.0
191.03442	3.4
193.04944	6.7
194.05812	3.7
195.06590	18.3
199.96034	3.4
203.57561	3.8
206.01410	3.9
209.04547	6.2
220.49228	4.0
221.36224	4.1
329.06680	4.2
345.13348	4.2
371.11313	8.6
372.12100	6.4
373.12927	10.0
380.85538	3.5
407.39032	3.9
639.27350	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	639.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40388	1.1
59.01235	3.0
63.16212	1.2
64.33935	1.2
68.56394	1.0
78.95751	2.0
82.02855	2.6
89.33004	1.4
95.23077	1.2
96.95860	2.4
120.04395	2.4
136.07581	2.2
147.03149	2.9
148.03928	20.2
150.05510	3.0
150.09166	2.2
160.03940	5.3
161.04720	8.9
162.05498	3.1
164.03477	1.6
172.03931	3.1
173.03452	17.6
173.04668	2.6
174.04236	15.6
174.05588	3.3
175.05029	32.5
175.06326	2.0
176.03221	3.7
176.05826	7.7
186.05553	4.1
188.05806	3.0
189.06586	15.9
190.07353	3.9
191.05495	1.5
194.02190	9.7
199.06325	2.7
200.07130	15.2
201.07973	10.1
202.03624	6.5
203.04509	10.0
212.03252	6.1
213.06593	1.4
214.05034	3.4
214.08603	3.9
215.06024	1.9
216.06645	4.3
216.08919	4.0
218.14966	1.3
228.06644	5.9
229.06030	4.4
231.07701	37.8
232.08488	7.0
238.04739	1.9
240.06535	1.8
242.08328	17.3
242.10521	2.7
243.09192	14.7
244.08528	3.2
254.06712	3.8
255.07671	2.2
256.02234	1.9
257.05612	8.7
265.05688	8.9
266.04361	39.5
266.07980	31.3
267.04950	3.6
267.07678	4.5
268.06082	7.2
271.04657	2.6
279.03812	4.2
281.06494	2.4
283.07010	32.9
284.07703	8.1
285.08493	7.7
286.05731	5.9
299.06528	12.1
307.07135	2.7
308.07913	3.1
309.06171	45.6
310.07022	21.9
311.07272	3.0
312.03812	2.0
325.08203	7.1
326.08826	39.9
327.09637	11.2
333.04984	2.2
351.06015	2.0
352.06772	23.1
353.07516	14.4
360.09616	13.0
360.13452	2.1
361.10364	15.1
402.14493	4.1
408.15799	2.2
416.16162	2.4
458.16760	9.4
459.15390	19.1
460.14847	2.0
471.13760	1.6
476.18039	60.3
477.18427	3.2
489.15170	22.4
490.15942	24.4
502.15994	100.0
503.16132	3.0
595.27942	1.8
621.23492	5.2
639.24390	89.3
640.25232	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	639.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67858	7.7
59.01240	43.6
59.35378	5.6
61.98687	12.4
63.88602	6.5
65.25394	6.3
65.60172	6.8
66.12896	6.2
67.26575	5.8
71.01241	27.3
85.63052	6.6
89.02290	52.4
91.72722	12.3
96.95908	12.0
97.47562	7.0
101.02297	15.9
101.60601	8.3
113.02299	15.0
119.03392	23.8
140.37892	7.7
143.91129	9.1
154.42934	7.6
179.05569	21.5
187.60550	8.2
228.44882	8.7
279.23273	100.0
309.74884	7.8
311.17447	8.8
323.09750	35.3
338.73407	8.9
341.10825	66.3
382.21390	9.3
603.33643	51.8
639.31720	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	41.3
63.19831	4.8
71.01264	26.3
79.46288	6.0
87.00737	5.8
89.02297	40.1
100.95007	5.9
101.02344	15.9
113.02359	16.8
118.24283	5.6
119.03423	24.2
124.34108	5.5
179.05519	14.3
208.00566	5.8
255.23289	100.0
259.04355	6.3
269.25067	6.0
323.09903	24.2
341.10840	37.0
579.33954	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	640.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31822	0.4
61.97326	1.5
61.98693	100.0
61.99871	1.9
63.20908	0.5
75.92786	0.4
77.36509	0.4
77.66452	0.5
81.86552	0.4
85.03942	1.0
87.05508	1.2
96.95895	0.5
108.35753	0.6
113.03434	0.9
115.08656	2.1
122.59585	0.5
123.46925	0.5
135.13405	0.5
137.12524	0.7
139.08655	0.6
140.07155	0.8
145.02921	0.6
155.08160	0.7
155.11800	0.6
165.10313	1.4
167.08133	0.5
170.84413	0.5
181.09785	0.7
182.12990	1.4
184.10912	1.4
197.16565	1.1
200.14069	1.6
210.12410	0.5
211.14474	0.8
220.61592	0.5
268.20346	1.2
276.00458	0.5
281.19815	2.7
299.20721	0.8
311.05975	0.7
350.22238	0.9
368.22971	6.4
577.37231	29.7
578.37958	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45365	0.2
54.99580	0.2
57.03315	7.1
60.56968	0.2
69.03297	0.3
81.03322	1.2
83.01234	1.2
85.41586	0.2
92.97630	0.2
93.03327	1.9
95.01234	0.8
95.04877	0.7
97.02815	1.6
99.04340	0.2
105.03326	0.6
107.04910	0.3
108.02094	0.2
109.02812	4.7
111.04374	2.0
120.02050	0.4
121.02811	3.8
121.06467	0.2
123.00745	1.6
123.04402	0.4
124.01572	1.1
125.02311	100.0
125.05927	1.2
126.02676	1.4
127.06121	0.2
133.02815	0.7
133.06535	0.3
137.02318	15.0
138.03076	0.5
139.03885	5.1
149.02328	4.4
149.05988	0.4
151.03876	0.5
155.03386	0.5
159.04416	0.4
161.02266	0.4
163.00279	0.9
163.07552	0.3
164.01045	4.8
165.01833	18.5
166.02399	0.5
167.03391	6.8
168.03757	0.3
175.03909	0.7
177.01840	59.2
177.08142	0.6
178.02180	1.4
179.03395	4.6
191.03394	0.5
191.07057	0.6
195.02934	0.3
197.04468	9.6
198.04979	0.4
201.05417	0.4
203.03452	0.8
204.04208	0.6
206.57819	0.2
217.04953	0.5
217.45772	0.2
219.06593	4.2
221.04448	2.0
221.26895	0.2
243.06645	0.3
259.06146	0.4
261.04092	0.2
261.07565	1.4
273.40024	0.2
303.05087	7.3
303.08347	0.5
304.05347	0.4
305.06674	30.1
306.07016	1.0
326.43585	0.2
335.07776	7.8
470.16229	0.2
616.42065	0.3
657.41553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.0
67.44283	2.2
69.39300	2.7
96.95851	6.9
109.02822	4.7
110.49461	2.7
111.25657	2.8
135.04378	8.1
147.04414	3.7
162.03166	2.9
165.05447	6.5
173.87489	2.7
179.03435	7.9
180.04291	5.8
194.33243	2.5
195.06554	4.8
227.03491	14.6
228.04361	4.4
243.03003	10.5
255.02930	7.6
256.03717	10.2
267.03131	3.1
269.04453	3.1
270.01868	16.3
270.05179	14.7
271.02448	24.2
281.04413	4.4
282.05270	4.0
283.06256	3.8
283.64935	3.0
285.04108	38.2
296.03204	3.3
297.04236	4.3
298.04694	6.5
299.05447	7.9
302.04303	7.4
310.04895	6.7
311.05634	17.8
313.07117	10.6
323.05557	3.9
325.07104	20.8
341.06616	7.1
355.08466	3.2
397.39780	3.1
581.18658	4.4
581.90668	3.5
596.16870	8.3
608.17450	6.6
611.19299	100.0
612.19849	4.1
623.19250	40.5
641.20343	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17258	5.7
61.98685	20.8
63.11134	5.4
63.68122	6.0
75.50068	6.7
81.30280	6.9
88.05736	6.7
96.95844	12.8
99.92486	7.0
108.35702	6.8
109.02811	14.9
113.56208	6.6
127.08347	7.6
151.03961	10.7
152.00955	10.8
161.02342	7.9
162.01868	11.1
162.03127	94.6
163.03903	10.6
167.03435	13.3
177.01869	7.4
177.05473	100.0
179.03397	11.8
181.04977	9.1
247.08502	8.8
341.10431	14.8
349.47421	8.4
442.97433	8.0
587.22626	14.7
605.27588	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	641.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08183	0.5
53.55944	0.5
57.03299	0.9
59.01244	23.2
59.01693	1.0
61.98676	0.7
71.01237	5.9
71.04881	0.9
72.99160	1.0
73.02786	2.9
77.94857	0.6
77.96209	0.6
78.95750	0.5
83.01228	2.9
85.02810	8.3
85.99949	0.7
87.00729	1.4
87.21706	0.5
89.02297	0.8
91.73281	1.1
93.03311	1.0
95.01216	0.7
96.95829	1.0
97.02854	0.7
99.00704	0.6
101.02305	6.7
105.52325	0.7
111.00726	1.5
113.02303	2.6
121.02781	1.3
134.03609	4.8
136.07616	0.8
137.02359	0.9
141.01602	0.7
149.05971	1.2
151.49715	0.6
163.11189	0.9
173.04485	0.7
178.02647	3.2
185.11713	2.1
189.12810	1.7
191.05540	28.5
191.09018	1.2
191.10701	24.5
193.05006	12.0
205.12267	1.4
217.12294	1.0
219.13838	1.1
235.09668	1.6
313.22235	0.8
331.22800	2.5
349.23859	10.5
355.10312	1.8
379.44006	0.8
493.28137	0.8
511.29181	2.9
537.27258	0.8
555.27960	5.8
556.28320	0.9
579.28522	0.8
597.29230	100.0
598.29480	7.7
641.28662	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32071	0.5
51.33174	0.3
54.75103	0.4
55.01745	0.7
57.03305	1.4
58.00445	0.4
58.99982	0.6
59.01242	29.2
59.02360	0.4
69.03294	1.4
71.01239	32.1
71.02709	0.7
72.99155	1.1
73.02805	16.6
81.03316	0.6
83.01243	7.2
83.01712	0.8
85.00631	0.4
85.02804	18.6
85.04755	0.4
87.00716	2.8
87.04359	1.2
89.02296	8.4
95.01233	2.3
96.95858	0.8
97.02799	2.4
98.89245	0.4
99.00743	4.9
101.02303	29.8
101.04832	0.5
103.03865	3.9
107.04884	0.4
113.02307	14.2
115.03873	2.0
119.03381	2.1
119.04874	0.7
125.02314	6.2
125.08617	0.6
125.09360	0.6
127.03930	0.6
127.11221	0.6
129.01758	0.9
131.03346	1.5
143.03389	2.8
145.04919	1.5
151.03864	0.5
159.02937	2.7
161.04446	11.2
163.03903	0.7
163.06012	2.3
167.82826	0.5
183.70615	0.4
185.11771	0.4
189.51479	0.4
200.71626	0.4
205.07120	1.2
222.95944	0.6
229.07201	0.4
238.93448	0.4
247.08286	1.1
253.03374	0.4
271.15439	0.5
271.19287	0.5
289.09448	0.5
289.16589	12.8
297.10013	0.8
369.90222	0.4
381.18292	2.5
417.21237	0.8
435.22379	41.5
436.22763	1.4
469.93774	0.5
494.02423	0.4
537.29993	0.5
581.28180	100.0
582.28546	5.6
605.26038	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	641.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.5
57.66424	0.2
59.01231	1.3
59.03818	0.4
59.35126	0.2
71.01232	0.3
71.04893	0.3
72.99163	0.2
78.95765	0.2
89.02289	0.2
93.03347	0.2
96.95885	0.7
97.26183	0.2
99.08015	12.4
100.08366	0.4
101.02272	0.3
101.05911	0.3
107.01263	0.2
114.71983	0.2
121.02814	0.5
125.02333	0.9
127.07522	13.6
128.03316	0.2
128.07861	0.6
129.05447	45.1
130.05788	1.3
131.05861	0.4
143.07008	0.3
145.08592	2.1
149.05994	0.4
151.00256	0.5
161.19604	0.2
171.06531	3.0
171.11833	0.2
173.04434	0.4
178.99840	0.2
186.35635	0.3
189.00597	1.0
189.07607	100.0
190.07941	4.0
191.05498	0.3
191.08118	1.5
257.11865	1.7
259.06042	0.7
261.06653	0.4
269.04501	0.6
287.05844	0.3
303.25754	0.3
303.28931	0.3
419.17139	0.3
449.10980	1.2
450.11121	0.3
451.11337	0.8
451.21606	0.6
495.94751	0.2
555.30042	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	641.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96453	0.7
58.14303	0.7
59.01229	0.8
61.56168	0.7
61.98690	1.4
85.03919	3.3
87.05492	5.0
92.81182	0.8
96.95882	2.1
97.03940	0.8
104.53290	0.8
111.01827	1.0
113.03429	4.5
114.01852	1.3
115.08636	5.7
119.04926	2.1
125.07066	1.0
129.10207	3.1
130.08508	1.0
133.32571	0.8
139.08702	2.3
140.07057	4.9
141.06610	1.1
145.02840	2.6
153.10196	1.5
155.08122	3.9
155.11757	5.0
165.10197	7.2
166.07397	1.4
167.08165	4.9
181.09744	2.2
182.12936	5.6
183.11279	2.8
184.10742	4.3
193.13341	1.3
194.11902	1.0
197.16544	6.1
200.13974	10.7
200.15613	1.4
211.14607	2.0
225.16234	1.1
226.11903	1.2
228.17105	2.5
229.01964	1.1
252.20834	2.0
268.20303	7.4
281.19846	11.9
295.21289	1.9
297.19617	1.0
299.20837	4.3
309.19467	1.1
313.22769	1.2
325.18811	2.1
350.21820	1.0
367.26913	1.5
368.23035	36.7
382.24860	1.4
407.26648	1.8
436.29483	1.2
533.38342	2.3
577.37219	100.0
578.37537	1.7
641.37549	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	641.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96453	0.7
58.14303	0.7
59.01229	0.8
61.56168	0.7
61.98690	1.4
85.03919	3.3
87.05492	5.0
92.81182	0.8
96.95882	2.1
97.03940	0.8
104.53290	0.8
111.01827	1.0
113.03429	4.5
114.01852	1.3
115.08636	5.7
119.04926	2.1
125.07066	1.0
129.10207	3.1
130.08508	1.0
133.32571	0.8
139.08702	2.3
140.07057	4.9
141.06610	1.1
145.02840	2.6
153.10196	1.5
155.08122	3.9
155.11757	5.0
165.10197	7.2
166.07397	1.4
167.08165	4.9
181.09744	2.2
182.12936	5.6
183.11279	2.8
184.10742	4.3
193.13341	1.3
194.11902	1.0
197.16544	6.1
200.13974	10.7
200.15613	1.4
211.14607	2.0
225.16234	1.1
226.11903	1.2
228.17105	2.5
229.01964	1.1
252.20834	2.0
268.20303	7.4
281.19846	11.9
295.21289	1.9
297.19617	1.0
299.20837	4.3
309.19467	1.1
313.22769	1.2
325.18811	2.1
350.21820	1.0
367.26913	1.5
368.23035	36.7
382.24860	1.4
407.26648	1.8
436.29483	1.2
533.38342	2.3
577.37219	100.0
578.37537	1.7
641.37549	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	642.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50949	0.7
57.03298	0.7
57.59755	0.6
58.02612	0.5
58.02837	6.6
59.01228	0.5
59.88685	0.5
64.95107	0.5
68.04900	0.7
72.00739	0.7
74.00555	0.8
74.02327	12.1
75.59629	0.9
75.59975	0.7
81.04434	0.9
82.02821	1.8
84.04409	0.6
85.03897	1.1
86.02330	6.7
86.05966	1.0
87.05511	2.8
97.03925	3.4
99.05495	15.4
100.00246	1.8
101.07050	2.0
102.00032	1.6
102.05446	1.5
105.99538	2.7
109.03914	1.4
109.07585	1.2
111.05490	1.5
112.03888	1.8
119.04884	1.5
121.02785	0.6
123.05510	1.2
123.87850	0.7
124.03920	0.9
125.02317	8.5
125.03311	1.2
127.04958	1.1
128.03406	48.2
132.75069	0.5
135.05493	3.2
137.02335	0.9
137.07108	1.1
137.94307	0.6
141.06529	2.0
142.38130	0.5
143.04503	68.9
145.06044	1.4
146.04472	4.7
149.02306	0.9
153.06602	3.7
155.08134	0.9
160.00578	1.1
163.03885	1.9
166.09737	1.9
167.04482	2.0
167.08128	1.1
168.99562	0.9
169.06053	2.1
170.03244	0.7
175.01698	3.2
177.01848	6.1
179.04530	10.6
181.06065	1.6
182.09235	0.7
184.10849	1.1
185.05600	2.0
192.07721	1.5
197.05603	4.4
203.04926	1.3
210.08783	13.0
210.10400	0.5
226.08400	1.0
228.09872	1.0
254.07805	13.0
256.07721	0.6
263.01633	0.8
272.08890	100.0
273.09222	2.6
285.04111	0.8
286.04950	1.1
303.05057	1.7
304.06079	22.8
320.03818	0.7
325.20685	0.7
338.04874	73.9
339.05170	1.7
437.20978	0.6
491.19547	0.9
573.80206	0.7
631.66046	0.7
668.39044	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97430	1.9
61.98693	100.0
62.00134	1.0
67.33629	0.3
70.54382	0.2
82.64735	0.2
83.47237	0.3
128.03448	0.3
137.02362	0.3
147.71367	0.3
164.07111	0.4
177.22061	0.2
180.03943	0.2
195.06619	0.4
277.59454	0.3
518.48798	0.3
617.74084	0.3
642.33148	0.3
670.33136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
63.05007	2.7
66.18066	2.7
67.01763	3.2
67.47856	3.1
70.55009	2.8
80.60579	2.8
81.03305	10.2
83.01237	7.6
85.02796	13.2
93.03328	7.4
95.01252	3.8
97.02796	4.3
109.02804	28.8
111.00734	55.9
121.02822	9.1
123.00729	5.5
124.01575	4.7
125.02303	53.3
132.22729	3.3
135.04457	3.3
137.02330	45.1
138.03099	9.4
139.00259	9.9
139.03883	6.9
141.01830	6.6
147.04315	4.0
149.02350	9.6
151.03909	7.0
153.01819	100.0
154.99783	4.6
159.04349	4.0
163.03935	7.8
165.01834	75.7
166.02620	23.9
167.03418	11.1
177.01843	30.6
177.05426	4.4
179.03369	7.0
187.04053	4.5
190.02605	5.7
191.03444	9.6
193.01384	8.4
194.02104	9.4
205.05026	10.8
233.04359	17.7
247.06216	6.0
250.83452	4.1
251.05711	4.6
257.04587	5.1
275.05518	8.2
293.06506	8.8
305.06708	14.1
319.04562	12.7
321.06198	9.5
337.05716	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	643.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.7
65.00180	1.1
67.01743	0.6
68.99671	0.8
74.02305	0.3
76.73520	0.2
77.80750	0.2
81.03287	0.3
82.07542	0.2
83.01233	4.4
85.02798	0.6
87.00712	0.2
89.89034	0.2
93.03315	0.3
95.01239	0.2
96.95863	0.4
97.02876	0.2
107.01238	1.9
109.02816	2.3
111.00743	0.4
111.04386	0.2
121.02827	0.2
123.00759	1.9
123.04377	0.2
124.01508	1.3
125.02312	5.2
128.03423	1.1
137.02336	0.4
138.03043	0.2
139.03874	3.2
143.04526	1.2
148.30360	0.2
149.02278	0.3
151.00252	10.3
152.96977	1.3
153.01817	100.0
154.02147	0.5
165.01810	0.2
166.02577	0.5
167.03397	16.6
169.01350	0.4
175.02400	0.4
177.01831	0.6
179.04601	0.2
183.02867	0.5
191.34819	0.2
195.02911	0.4
210.08678	0.2
255.05106	0.3
272.08932	1.7
304.06104	0.5
321.06256	0.5
321.11758	0.4
338.04959	1.1
537.03192	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	643.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83393	1.1
51.40179	0.4
52.11233	0.5
54.39185	0.4
58.10388	0.4
91.72688	0.6
93.03309	1.2
96.95868	1.7
108.02022	1.7
109.02814	66.6
109.06024	0.7
110.03156	0.8
115.05394	0.6
116.92684	0.8
119.04881	1.2
121.02811	1.6
123.04400	2.8
129.03336	2.7
131.04933	1.1
135.04413	2.1
137.02322	1.5
145.02831	1.4
146.03564	2.5
147.04402	26.6
151.00333	0.5
152.01050	1.1
153.01833	1.5
158.03635	2.8
159.04414	100.0
160.04739	2.4
161.05992	1.1
167.03419	0.9
175.03891	0.8
176.01067	4.2
195.04350	0.6
211.04048	0.7
213.05566	0.8
224.04802	0.7
240.04240	1.5
241.05081	3.0
251.07158	1.3
252.07928	1.8
254.05901	0.9
267.06500	0.6
268.07346	0.9
269.08209	43.3
270.08524	1.5
282.05435	1.8
283.06284	0.7
285.04068	32.7
286.04617	1.2
297.07663	1.6
313.07315	1.2
357.06351	4.1
475.12418	1.0
643.16748	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	643.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
84.66030	0.8
89.48693	0.7
91.65280	0.7
91.72776	1.2
96.95879	2.1
109.02792	0.9
112.97089	0.7
121.02808	1.5
123.04469	0.9
125.02309	1.2
131.34634	0.8
137.02319	1.6
139.98669	0.9
148.72076	0.8
149.02359	1.1
150.03061	0.9
152.70729	1.0
165.01778	1.0
165.05501	1.5
174.93236	0.9
185.79327	0.8
190.81413	0.8
211.04004	1.0
211.24648	0.8
227.03444	18.5
228.04276	1.5
255.03011	11.1
256.03729	12.0
259.35571	1.0
269.04672	1.0
270.02420	1.7
270.05353	33.0
271.05945	1.7
288.02832	5.4
302.04315	18.4
307.50516	0.9
335.55219	0.9
355.00940	1.2
358.64624	0.9
375.05002	1.8
376.05646	2.3
377.06671	2.4
391.08176	14.0
391.13013	1.2
391.40341	0.8
392.09039	6.3
404.08807	1.9
405.09357	1.2
407.11041	1.3
419.11710	4.3
424.07764	1.1
437.12427	100.0
438.12973	3.9
463.10272	2.8
481.11395	30.8
643.15680	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	643.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	19.5
59.01461	1.6
60.65780	1.7
61.29269	1.6
61.98713	2.2
70.02840	2.8
71.01241	2.7
73.74334	1.9
78.95803	2.2
85.03945	2.5
87.05497	9.7
88.98696	2.2
93.03368	2.2
96.95876	54.2
96.96831	3.7
113.03458	5.0
115.08649	3.2
129.10222	9.8
139.08711	4.4
140.07118	5.4
140.95796	2.1
141.01656	9.1
142.85490	1.9
153.10353	2.8
153.70697	2.1
155.08255	3.0
155.11873	4.3
165.10229	9.9
167.08186	2.9
169.09753	3.7
182.12993	6.9
183.11359	3.5
184.10921	4.1
193.13531	2.5
194.11815	2.5
197.16594	3.8
200.13976	17.4
207.15051	7.5
211.14742	3.1
224.17688	2.8
228.17094	2.6
242.18826	4.3
243.23846	2.5
256.75134	2.3
268.20432	6.0
281.20053	9.5
295.21521	8.4
299.20770	3.4
313.22568	4.7
353.22061	3.1
368.23105	20.8
426.31140	4.1
577.37280	100.0
579.38849	35.3
643.35248	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	645.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38238	0.2
73.63541	0.4
74.43418	0.2
81.03327	0.5
81.15916	0.4
83.04877	0.5
83.75874	0.3
91.41219	0.2
92.77758	0.3
93.03313	2.7
96.95855	1.1
107.04856	0.3
109.02808	3.9
111.04369	1.5
117.03333	0.6
121.02810	0.7
123.04343	0.3
125.02317	3.0
129.03363	0.3
131.01184	0.3
133.02832	3.2
134.03552	0.3
135.00723	0.3
135.04398	6.2
137.02332	2.8
139.03859	1.0
145.02821	3.0
146.03548	0.4
147.04393	1.1
149.02310	0.9
151.03903	0.4
153.01820	0.8
155.03360	0.9
159.04321	0.3
161.02339	6.8
161.08054	0.3
163.03902	2.0
165.01804	0.7
165.06993	0.7
167.03505	1.2
167.04814	0.4
169.06506	0.5
171.00763	0.4
173.02344	1.4
174.03111	0.8
175.03850	0.8
176.01172	0.3
177.01830	1.3
178.02635	0.4
179.03416	5.7
180.05707	0.6
181.06480	2.5
183.04356	0.5
191.03442	0.6
191.04982	0.8
193.06584	1.2
193.12363	0.4
195.04448	0.8
196.05034	0.3
197.05991	1.6
200.01096	0.8
207.04437	0.7
208.05190	2.3
209.06020	7.6
211.03961	1.0
211.07561	0.5
215.03688	0.3
219.04529	2.2
220.05243	1.1
221.06049	0.7
224.04765	1.2
225.05547	3.2
226.06273	0.3
229.05026	0.5
231.06589	3.1
235.03932	1.9
236.04727	1.7
237.05544	15.2
238.06097	0.7
239.03368	0.3
239.07019	0.4
243.02972	0.3
247.04050	2.0
248.04723	1.6
250.06348	0.4
252.04308	0.8
253.02415	0.3
253.05055	6.1
263.03543	3.3
264.04248	2.1
265.05066	10.2
266.05798	1.6
267.06641	1.5
273.05130	0.4
273.07700	1.8
279.02997	0.3
280.03732	0.5
281.04556	31.6
282.05096	1.5
283.06039	0.5
291.02975	0.6
292.03671	0.6
305.06708	2.0
308.03226	0.4
309.04056	100.0
310.04633	6.3
311.02011	0.5
311.05637	10.3
312.05814	0.3
317.06677	3.9
318.64313	0.3
335.07779	4.2
359.07932	0.3
401.10690	0.3
565.05560	0.3
629.77930	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72620	0.2
61.39584	0.3
67.84543	0.2
73.63498	0.4
73.63854	0.3
81.03303	0.4
81.15914	0.4
83.04877	0.6
91.01733	0.3
93.03322	2.6
96.95850	0.8
97.02845	0.3
105.03339	0.2
109.02815	3.4
111.04346	1.3
112.65013	0.3
117.03340	0.5
121.02790	0.4
123.00638	0.3
125.02320	2.0
129.79688	0.2
131.04816	0.2
133.02841	3.8
134.03618	0.3
135.04398	6.4
137.02336	2.2
139.03857	0.9
145.02832	3.2
147.04427	1.3
149.02315	0.8
150.03120	0.3
153.01746	0.7
153.06927	0.3
155.03400	0.7
157.02786	0.2
158.03624	0.3
159.04359	0.3
160.39197	0.2
161.02338	6.0
163.03943	2.2
165.01807	0.4
165.05594	0.3
165.06999	0.7
167.03348	1.1
167.04893	0.6
171.00789	0.3
171.08051	0.3
173.02333	1.3
174.03070	0.8
175.03902	0.6
177.01797	1.0
179.03406	6.4
180.05742	1.0
181.06476	2.1
183.04532	0.4
191.03386	0.4
191.04962	0.5
193.06551	1.1
195.04372	0.7
196.05309	0.4
197.06026	1.6
200.01031	1.2
207.04562	0.5
208.05249	2.4
209.06023	7.5
211.03984	0.9
211.07623	0.3
219.04440	1.8
220.05254	0.9
221.06105	1.3
222.03108	0.4
223.03970	0.3
224.04749	1.0
225.05537	3.2
226.02678	0.4
226.06071	0.5
229.04926	0.3
231.06606	1.7
235.04153	1.4
235.06226	0.2
236.04733	1.3
237.05551	15.6
238.06012	0.7
239.03522	0.5
239.07025	0.3
247.03987	1.9
248.04808	1.9
250.06393	0.8
251.03493	0.3
252.04280	0.7
253.05051	6.5
254.05463	0.4
255.06581	0.5
263.03510	3.2
264.04233	2.3
265.05066	10.0
266.05740	1.5
267.06622	1.7
273.07730	1.3
280.03845	0.5
281.04559	31.9
282.05121	1.2
283.06012	0.8
291.03040	1.1
292.03775	0.7
305.06796	1.3
309.04056	100.0
309.18774	0.8
310.04688	6.4
311.05624	10.2
312.05832	0.4
317.06641	2.3
335.07745	4.3
369.56589	0.3
383.08484	0.3
407.04199	0.3
445.09784	0.4
628.35126	0.3
645.18402	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02679	0.6
58.00457	0.6
72.99162	4.2
79.32589	0.4
91.73365	0.4
93.03309	1.3
98.90893	0.3
99.00757	0.5
106.23940	0.3
107.04898	1.6
107.59476	0.3
108.02029	19.3
123.04378	12.2
125.02271	0.8
127.14252	0.3
131.04924	0.4
133.02808	0.6
149.05952	1.1
151.96121	0.5
152.01038	34.9
153.01590	0.3
154.08012	0.3
165.05473	11.1
166.97762	1.2
167.03398	100.0
168.03751	1.6
177.01804	0.6
179.03374	3.3
184.39539	0.4
193.05005	2.7
215.01483	0.4
255.05101	24.8
329.08649	1.3
423.07224	0.8
441.08780	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67426	0.4
52.71680	0.4
59.01250	0.7
64.63248	0.5
66.03080	0.5
68.47514	0.6
74.55756	0.5
77.21067	0.5
88.12907	1.0
88.13346	0.5
89.02308	0.7
90.16331	0.7
93.03322	2.1
96.95866	14.2
108.02005	1.1
109.02819	6.7
117.03345	0.7
121.02813	2.2
123.00732	1.1
123.04424	0.8
125.02316	1.2
133.02840	1.4
135.04402	7.0
137.02324	1.8
139.00224	1.3
145.02835	2.3
146.03569	0.6
147.04404	3.1
151.00261	1.4
152.01050	0.8
159.04410	1.9
161.02350	1.3
167.03400	1.8
169.06517	1.3
170.03412	0.5
171.04353	0.7
172.05179	0.7
173.02353	0.9
174.03186	0.5
177.01823	0.6
178.02605	0.7
179.03456	3.1
180.05600	0.7
181.06453	1.5
183.59306	0.5
184.05186	0.9
185.02229	1.2
185.39906	0.6
186.03136	2.6
187.03891	2.3
193.06523	1.2
195.04384	1.0
197.06004	1.9
198.03120	1.2
199.03883	1.9
200.04695	4.0
201.01875	0.6
202.02690	0.7
208.05307	1.2
209.06027	8.5
210.06812	2.5
211.04002	1.5
212.04607	0.9
213.01816	1.1
213.05476	1.1
214.02676	2.7
215.03416	1.7
215.06940	0.6
217.01321	0.8
220.05261	1.3
221.06029	3.5
223.03973	1.5
224.04805	3.7
225.05557	6.1
226.06317	29.2
227.03470	4.7
228.04192	2.3
229.01450	0.9
229.05025	3.2
235.03957	1.9
236.04739	0.7
237.05563	7.1
238.06317	13.3
239.03564	1.2
239.07082	0.7
240.04158	1.6
241.05008	2.4
241.08702	5.7
242.02213	8.1
243.02972	12.0
245.00931	3.9
245.08165	1.0
249.05515	1.5
250.06395	0.6
251.03470	2.8
252.04237	2.6
253.05074	4.6
253.08667	4.5
255.03030	2.7
256.03772	21.5
257.04443	1.4
263.03448	3.3
263.07132	0.8
264.04263	1.0
265.05020	5.4
266.05698	0.9
267.02933	0.9
267.06595	1.9
268.03967	1.0
268.07330	0.8
269.04495	0.7
269.08224	0.8
270.05350	15.3
273.05496	0.6
275.07083	0.8
279.02924	4.3
280.03815	10.2
280.06924	1.4
281.04562	12.0
281.08072	2.3
282.02139	0.7
282.05328	16.7
285.07703	64.0
288.02789	3.6
293.04562	15.2
293.08188	3.8
294.05386	5.1
295.05972	0.7
297.07687	59.0
306.01840	1.1
307.02490	2.3
307.06122	2.0
312.06442	1.0
315.08789	11.5
319.06180	2.2
319.09637	0.7
325.07193	2.4
329.07944	0.9
331.06213	0.7
337.03412	1.3
337.07291	2.3
345.07538	1.4
347.09277	1.4
357.07599	1.1
363.01361	1.7
373.07187	1.7
375.08646	2.1
385.07159	1.6
392.22736	0.6
401.06628	5.0
403.08206	26.8
404.08450	1.1
411.04968	2.0
419.07446	1.1
429.05334	2.9
429.88730	0.7
446.06784	1.2
447.07220	100.0
448.07513	5.9
468.10788	3.9
473.05029	2.6
481.11496	2.6
491.06171	7.6
492.06851	1.2
493.11404	1.1
603.14746	3.3
647.10425	17.1
648.10583	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15588	0.4
55.16426	0.4
59.01273	0.5
69.54481	0.4
76.14571	0.5
77.21062	0.5
77.70096	0.4
86.90176	0.5
88.12907	1.0
90.16331	1.0
91.73260	0.9
93.03347	1.3
96.95866	12.6
108.02051	1.0
109.02814	5.6
111.04440	0.6
119.04922	0.7
119.44566	0.5
121.02854	1.1
123.00800	1.1
123.04375	0.7
125.02391	0.9
133.02841	1.2
134.03600	0.7
134.91280	0.5
135.04387	5.7
137.02361	1.6
139.00281	1.2
143.04939	0.8
145.02861	1.9
147.04366	2.6
151.00304	0.7
152.01089	0.7
153.01828	0.6
157.02928	0.5
159.04463	1.6
161.02399	1.8
167.03418	1.4
169.06578	0.8
171.49446	0.5
173.02380	1.5
179.03435	2.9
180.05754	0.6
181.06577	1.4
183.04517	0.6
185.02277	0.6
186.03162	1.2
187.03958	2.0
189.01915	0.9
193.06589	0.9
196.05298	1.0
197.06032	1.6
198.03174	0.7
198.06857	0.9
199.03961	1.2
200.04782	2.0
201.01929	1.3
201.05627	0.5
202.02679	1.0
208.05244	1.2
209.06046	6.8
210.06847	1.9
211.03996	1.7
212.04817	0.8
213.01942	1.0
213.05562	1.4
214.02730	2.0
215.03479	1.6
215.07097	0.7
216.04153	0.5
217.01402	0.5
220.05321	0.9
221.05988	2.6
223.03990	1.0
224.04747	3.2
225.05492	4.7
226.06308	25.0
227.03416	2.9
228.04279	1.9
229.01401	0.6
229.04976	2.5
235.04051	1.7
236.04720	0.7
237.05539	6.0
238.06316	11.6
239.03601	1.1
240.04228	1.4
241.05081	1.9
241.08725	4.8
242.02179	5.8
243.02986	10.8
245.00906	3.7
245.08273	0.7
249.05562	2.0
251.03537	2.8
252.04306	2.1
253.01515	0.5
253.02483	0.6
253.04985	4.4
253.08751	2.4
255.02980	2.7
256.03748	19.1
257.04245	1.3
263.03580	3.0
263.07156	1.0
264.04391	1.6
265.05081	4.5
266.05746	0.8
267.03137	0.8
267.06696	1.9
268.03741	0.6
268.07571	0.8
269.04477	0.7
269.08148	0.8
270.05334	13.3
270.08160	1.0
271.02591	0.8
277.05048	0.8
278.02170	0.8
279.03073	3.3
279.06201	0.7
280.03806	9.4
280.07074	0.8
281.04608	11.3
281.08182	2.2
282.05356	12.9
282.08533	0.9
284.03400	0.8
284.93039	0.6
285.07690	50.6
288.02731	4.1
292.03836	0.8
293.04645	16.2
293.08215	3.0
294.05249	5.8
297.04355	1.6
297.07678	46.0
306.01859	0.6
307.02521	1.3
307.06085	1.3
309.04150	0.6
312.06564	0.8
315.08841	9.7
317.04553	0.7
317.08151	1.0
319.06189	1.6
325.07242	1.6
329.08173	0.8
330.05392	0.5
337.03607	1.2
337.07306	1.5
345.07724	2.4
347.09256	1.2
355.06027	0.7
357.07843	0.9
363.01514	1.5
373.06967	1.3
375.08643	1.9
383.05365	0.8
385.07101	1.0
401.06708	3.6
403.08221	25.3
404.08609	0.8
411.04950	2.0
419.08148	0.6
429.05933	1.8
429.10394	1.0
446.06567	1.0
447.07224	100.0
448.07626	4.3
468.10641	3.9
473.05029	2.6
481.11200	2.2
491.06238	6.9
603.12341	2.8
647.10443	16.8
648.10999	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.198
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00452	6.2
59.01246	3.0
67.92655	1.8
72.99168	2.3
93.03320	11.0
96.95850	10.0
107.04908	7.2
109.02760	4.8
111.04402	2.7
117.03276	2.1
119.04939	5.1
120.65700	1.9
125.02319	4.2
127.45013	2.1
128.15187	1.9
133.02829	6.1
135.04398	34.9
137.02324	2.3
145.02869	4.2
147.04399	10.0
149.06001	7.7
151.03882	2.9
154.01730	2.3
161.02353	9.4
165.05469	100.0
173.02342	5.1
177.01904	3.2
179.03418	25.4
193.04977	13.1
201.01880	5.2
217.01508	3.6
219.03036	2.6
220.88196	2.2
237.04066	2.9
245.00865	26.5
251.54686	2.4
269.08395	2.3
309.03894	4.0
311.05029	2.9
335.07733	7.6
388.63318	2.8
409.14886	13.0
469.14798	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56596	0.3
56.34328	0.3
59.00120	1.8
59.01241	100.0
59.02532	1.6
60.01590	0.3
60.58480	0.3
63.57176	0.6
81.08718	0.3
82.72587	0.4
109.02813	0.6
121.02840	1.1
137.02359	0.8
176.04750	1.7
229.12395	1.3
245.11787	4.8
311.09393	0.6
340.09247	0.4
341.10352	8.6
341.14093	0.7
407.63803	0.4
494.96359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76277	0.2
57.03307	1.5
58.00465	1.1
59.00050	1.1
59.01242	56.0
59.02581	0.7
68.99685	0.4
69.03317	2.0
70.99665	0.7
71.01238	37.3
72.81048	0.3
72.99165	2.0
73.02800	7.4
75.00737	0.8
77.58540	0.7
77.96880	0.3
81.03298	2.0
82.13609	0.3
83.01237	5.3
83.01690	0.4
83.04892	0.9
85.02806	9.7
85.90517	0.4
85.99973	0.3
87.00728	9.1
87.01248	0.5
89.00118	0.7
89.02296	40.8
89.04731	0.4
91.03859	0.6
93.03346	0.7
95.01223	2.4
95.04877	0.4
97.02808	7.8
99.00740	2.2
100.99657	0.5
101.02303	36.2
103.03890	0.7
109.02833	0.6
111.00743	1.0
111.04391	1.2
112.01506	0.4
113.02306	17.1
115.03904	1.1
119.03364	12.6
121.02847	0.7
123.00723	0.4
124.01502	0.4
125.02309	14.7
127.03876	0.7
129.01854	0.4
131.03363	1.7
133.04948	1.3
139.03885	1.2
141.01833	0.8
143.03378	6.8
149.02386	0.4
149.04413	1.1
161.04454	6.9
167.03410	0.8
169.05026	0.5
177.16437	0.5
179.05528	7.4
181.04903	0.3
185.04524	1.0
199.06093	0.4
203.05544	0.7
205.19586	1.3
213.78784	0.3
217.07086	1.5
219.05161	0.6
221.06619	2.6
231.17508	1.4
235.08203	15.3
245.06619	0.8
247.16997	0.4
249.08342	0.9
249.18584	100.0
250.18906	2.7
253.09270	2.9
263.07721	1.7
264.89572	0.3
277.09299	1.1
281.08667	0.4
287.07721	3.0
305.08835	4.0
323.10019	1.5
328.80856	0.4
361.11145	0.5
379.12564	1.1
397.13528	80.4
398.13855	2.2
415.14597	35.3
416.15045	0.8
577.37274	0.8
579.38641	0.3
606.39270	0.3
611.36414	0.7
647.33380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.4
57.03320	0.8
58.00468	0.9
58.97011	0.3
59.01243	54.2
59.02438	1.0
59.30301	0.3
63.53948	0.3
68.99690	0.5
69.03311	2.4
70.99509	0.4
71.01241	35.2
71.02827	0.6
72.99162	1.5
73.02810	6.7
74.71048	0.4
75.00735	1.1
77.58553	0.9
77.58934	0.4
81.03323	1.8
83.01246	4.2
83.04899	0.7
84.22030	0.4
85.02808	8.9
85.99940	0.5
87.00739	9.1
89.02297	39.5
89.04554	0.6
91.03864	0.9
95.01242	2.7
97.02807	6.3
99.00742	3.1
99.04354	0.6
101.02305	33.5
101.04926	0.4
109.02813	1.1
111.04419	1.2
113.02306	17.0
115.03875	0.7
119.03364	13.3
121.02829	0.7
123.04398	0.4
124.01488	0.7
125.02309	13.4
127.03893	0.5
131.03334	2.3
133.04955	1.4
137.02336	0.4
139.03891	1.3
141.01843	0.7
143.03389	6.7
149.04439	1.8
151.03917	0.6
154.77713	0.4
156.26659	0.6
161.04454	9.2
167.03365	0.7
169.04973	0.5
172.04074	0.4
177.16371	0.6
179.05547	7.8
185.04498	0.9
199.06053	0.5
203.05659	0.5
205.19597	1.3
217.07146	1.1
221.06648	2.6
223.92358	0.6
231.17514	1.6
235.08208	14.7
245.06650	0.9
249.18587	100.0
250.18907	1.9
253.09265	3.9
263.07642	2.0
270.43326	0.4
277.09320	1.0
282.04556	0.5
287.07645	3.7
291.19629	0.6
305.08731	3.9
323.09833	1.8
361.11578	0.8
379.12494	0.7
397.13538	87.4
398.13724	1.2
404.39523	0.4
415.14594	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.337
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55619	0.4
66.03341	1.0
72.14011	0.5
74.26100	0.5
75.00974	0.5
78.95746	0.7
80.04884	1.0
82.06478	1.1
85.03924	4.8
87.05489	8.2
94.06490	1.2
96.03139	1.1
96.08044	0.6
97.03931	1.9
98.02348	0.7
105.38039	0.5
111.01871	0.8
112.07522	0.6
113.03436	5.1
115.08628	7.4
121.10067	0.6
122.04697	0.7
125.07092	2.3
129.10204	7.1
130.08589	1.2
139.05025	1.1
139.08691	3.4
139.12303	0.6
140.07054	6.6
141.06584	1.6
141.10222	0.7
143.08098	0.9
148.49611	1.1
148.50673	1.2
151.08571	0.6
153.10211	2.6
155.08157	3.8
155.11803	6.0
157.98250	0.6
165.10226	10.4
166.07317	0.8
166.08589	0.8
167.08157	6.7
169.09685	1.2
181.09721	3.5
181.13345	0.9
182.12898	8.7
183.11307	3.8
183.14984	1.6
184.10841	6.3
186.12457	0.8
193.13390	2.2
194.09317	0.6
194.11713	1.3
197.16505	7.1
198.12466	0.8
200.13983	14.1
207.14949	1.5
210.16031	1.4
211.14574	2.8
212.10353	1.3
223.14548	2.0
225.16118	0.7
226.11954	1.5
228.17134	3.7
236.17632	0.9
238.15620	0.6
242.18700	2.2
252.17317	0.6
252.20815	2.3
254.15085	0.7
254.18819	0.8
268.20346	8.3
274.49261	0.6
279.18399	0.9
281.19803	15.9
295.21326	3.0
299.20908	8.0
307.21527	0.8
309.19241	1.2
313.22260	1.7
325.18784	3.8
325.22504	2.1
327.20358	2.0
349.26166	0.9
350.21979	4.4
367.27182	2.0
368.23059	34.1
369.23911	0.7
381.28857	3.1
382.24298	1.0
407.26663	3.3
409.28064	0.8
410.27692	1.9
436.29474	1.0
487.82516	0.7
490.33972	1.7
533.38202	2.0
565.37238	1.7
577.37238	100.0
578.37830	2.9
611.35999	68.9
612.36432	1.0
647.33655	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	649.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
64.86716	4.5
70.13657	4.4
91.72791	6.3
96.95890	7.4
101.05946	66.9
101.34962	5.5
105.91261	5.2
106.74893	5.2
124.01538	23.8
139.03912	23.8
153.01947	6.2
154.04164	22.6
162.03114	7.7
165.05496	5.9
169.06491	70.9
177.01830	15.9
178.02625	18.1
178.44983	6.5
180.04225	19.0
187.07594	34.0
192.04240	27.6
193.05008	26.2
195.06546	13.8
213.05525	100.0
233.11795	13.2
245.11780	8.4
247.07639	11.2
261.11316	16.9
275.07291	11.2
291.06668	13.3
292.07388	29.8
307.09799	23.8
315.12372	39.4
336.06400	8.4
351.08698	37.8
353.10373	12.2
376.21536	7.3
453.15695	35.2
455.17078	28.3
553.09845	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	649.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99755	0.4
59.01234	0.6
63.76540	0.4
66.83241	0.4
77.48089	0.7
82.31406	0.4
95.03625	1.2
96.08031	0.6
96.95898	0.5
102.56717	0.4
104.52133	1.0
104.52752	0.7
121.05199	0.6
123.06773	0.6
123.78487	0.4
124.07552	4.9
134.06017	2.9
136.07559	22.4
138.09120	8.4
149.08372	1.4
160.06294	1.8
161.07133	2.9
162.05516	6.0
164.10709	20.5
171.08951	0.5
172.06297	1.6
173.07111	2.3
173.10710	1.2
175.08658	4.1
176.13907	0.4
180.06589	0.5
183.09152	1.1
184.09943	0.7
185.07149	1.0
185.10771	3.4
187.08655	2.8
188.09465	3.7
189.10228	2.6
190.08646	0.8
197.07210	0.8
197.10712	2.2
199.08714	5.7
199.12335	18.7
200.09471	1.5
201.10289	1.8
203.11835	1.2
207.09460	0.5
208.09738	16.4
211.08801	0.8
211.12325	0.6
212.09436	0.7
212.13057	1.0
213.06636	11.1
213.10310	2.0
213.13858	5.6
214.07436	13.7
214.10966	5.8
215.08238	10.0
215.11780	6.6
216.12665	1.6
216.53230	0.5
223.08713	2.1
225.06934	0.8
225.10298	21.1
226.07410	1.0
227.08223	11.4
227.11818	1.2
228.12640	1.8
229.09785	18.0
229.13448	2.0
231.14995	0.6
232.08493	1.1
233.09349	0.7
238.10965	3.1
239.08191	2.0
239.11882	17.1
240.09010	9.4
241.09798	42.1
242.08183	0.7
242.10561	10.3
243.11453	2.3
247.10849	5.5
253.09787	1.8
254.10594	6.3
255.11394	12.7
255.13809	0.6
256.12137	0.8
257.12949	3.4
258.09918	1.0
259.10895	1.2
267.07712	1.3
268.08600	4.4
269.09357	10.8
269.12958	6.0
273.12512	1.7
275.14014	10.6
283.10919	2.9
285.08743	2.4
286.09467	0.8
287.10892	0.6
287.13965	2.5
299.10419	10.8
299.13785	0.9
301.11948	100.0
302.12320	2.0
308.17737	2.6
315.10107	1.0
317.11404	1.8
318.12695	0.8
319.13000	61.7
320.13419	1.2
320.17487	0.7
332.14493	0.5
333.14719	2.2
336.20715	2.3
360.17102	1.1
362.18750	25.1
363.18695	0.9
364.17004	0.7
378.18256	2.0
380.19763	3.2
392.19922	1.5
394.21381	3.6
406.17737	10.4
412.22635	2.3
424.18777	2.1
436.19046	2.3
438.20383	27.4
439.20401	0.9
454.19818	0.9
456.21423	50.8
457.21548	2.0
468.21420	5.1
482.19440	12.5
486.22482	12.8
518.47729	0.6
554.50562	0.6
619.27789	92.3
620.27954	5.4
642.43781	0.6
649.28839	31.6
650.29364	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	649.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32024	1.0
53.47368	1.1
58.18964	1.2
59.01221	1.5
61.98680	1.6
107.04940	1.4
109.02786	1.9
124.01518	2.1
133.02863	1.3
134.03632	1.4
135.04327	1.4
147.04382	1.7
150.49817	1.3
151.03708	1.3
161.02486	1.6
162.03125	89.3
163.03741	2.3
163.07513	1.5
165.09087	1.8
177.01901	3.8
177.05489	100.0
178.02638	7.2
179.03403	1.7
180.04164	3.0
192.04210	1.9
193.05005	9.6
195.06581	2.3
207.02966	1.9
233.11894	2.1
234.99117	1.3
247.13371	4.7
261.11365	3.2
341.10056	2.0
389.78540	1.4
391.98166	1.6
465.47836	1.5
516.26642	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.5
56.49085	0.3
57.03286	0.6
58.00429	0.7
58.83289	0.4
59.01244	37.6
59.02419	0.6
63.91118	0.4
69.03303	1.8
71.01241	25.4
72.99153	1.0
73.02808	4.6
75.00735	0.5
77.93466	0.8
77.93895	0.8
78.50609	0.4
81.03291	1.6
83.01243	3.7
83.04860	0.5
85.02816	5.6
87.00294	0.4
87.00739	6.7
89.02298	30.8
89.04519	0.6
89.05629	0.4
91.03872	0.6
91.72676	0.5
95.01265	2.2
97.02309	0.5
97.02818	4.6
99.00750	2.4
101.02306	25.7
109.02794	0.8
111.00683	0.7
111.04342	1.0
113.02306	11.8
115.03815	0.8
119.03370	10.3
125.01452	0.8
125.02317	11.0
131.03375	1.1
133.04922	0.9
141.01797	1.0
143.03397	4.5
149.04408	0.9
161.04437	6.3
167.03345	0.8
179.05519	6.2
199.06052	0.7
216.69618	0.4
217.07162	1.0
219.05196	0.6
221.06638	2.4
233.19139	1.8
235.08209	11.5
245.06676	0.7
251.20163	100.0
252.20517	2.3
253.09335	2.7
263.07739	1.4
277.09280	1.0
287.07614	2.7
304.89096	0.6
305.08694	2.5
323.09839	2.0
323.78256	0.6
361.11453	0.7
379.12579	1.0
397.13553	71.7
398.13849	1.6
415.14609	28.1
416.15057	1.0
577.37207	0.9
611.36456	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18496	0.3
55.35649	0.3
57.03298	0.9
58.00434	0.6
59.00098	0.9
59.01242	39.9
59.02497	0.7
61.74997	0.3
69.03305	2.0
70.99732	0.4
71.01240	25.0
71.02917	0.3
72.99139	1.0
73.02803	5.9
75.00716	0.7
77.93468	0.8
77.93893	0.7
81.03295	1.5
82.95248	1.1
83.01241	4.2
83.04881	0.5
84.35263	0.4
85.02803	6.3
87.00731	6.9
89.00171	0.5
89.02296	30.8
89.04649	0.4
90.37068	0.3
91.03844	0.7
91.81590	0.3
93.03297	0.6
94.86868	0.3
95.01241	1.6
97.02812	4.9
99.00743	1.8
99.04366	0.5
100.99777	0.4
101.02303	25.6
103.03865	0.6
111.00739	0.5
111.04414	0.9
113.01563	0.7
113.02312	12.1
115.03854	0.8
119.03365	9.0
121.02814	0.5
123.82195	0.3
125.01441	0.6
125.02308	10.2
127.03928	0.6
129.85324	0.3
131.03366	1.5
133.04901	0.9
139.03870	1.1
141.01767	0.6
143.03372	5.0
149.04417	0.8
157.04990	0.4
161.04440	5.7
167.03423	0.7
179.05515	5.9
185.04445	0.7
217.07095	0.7
219.05057	0.4
221.06703	1.9
221.25098	0.3
227.65956	0.4
233.19061	1.3
235.08220	11.1
245.06660	0.4
251.20157	100.0
252.20476	2.2
253.09222	2.7
263.07751	1.9
277.09314	0.7
287.07709	2.3
305.08792	3.4
323.09796	1.4
361.11395	0.5
368.23071	0.5
379.12268	0.8
388.72839	0.4
397.13535	70.7
398.13806	2.4
415.14603	29.4
416.14783	0.8
438.86594	0.4
474.92618	0.4
577.37256	1.4
611.36292	0.7
649.35217	0.5
655.10065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26478	0.4
59.01218	0.6
59.37801	0.3
63.02256	0.5
65.00182	0.9
71.01257	0.5
71.24224	0.7
71.24560	0.4
79.29789	0.3
91.73019	1.6
94.36607	0.3
101.02321	0.4
106.45215	0.7
106.45892	0.7
107.01241	2.1
108.02032	2.1
113.39059	0.4
121.02866	0.6
124.01514	0.5
135.00774	0.7
148.01558	1.9
151.00258	6.2
163.00269	1.1
164.01042	0.6
169.01350	0.6
175.03868	0.4
178.99770	4.5
183.04475	0.5
187.03922	0.4
192.00528	0.4
199.03928	1.3
201.01865	0.5
203.03320	0.3
211.03882	0.6
215.03479	1.0
216.04254	0.5
226.02545	1.6
227.03496	3.4
243.02965	11.6
244.03569	0.5
254.02217	2.4
255.02980	29.4
256.03375	0.4
271.02493	65.1
272.03036	3.0
299.01981	3.7
300.02753	100.0
301.03461	8.1
303.05035	0.5
355.04602	0.5
429.08475	0.6
475.44479	0.4
591.13318	1.1
609.14545	4.4
651.15723	58.7
652.16241	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03111	3.0
57.03311	33.0
59.01242	68.9
71.01238	44.1
73.02800	9.5
78.95777	11.8
81.03285	6.9
83.01206	5.6
85.02789	14.0
87.00730	6.5
89.02290	50.1
91.73432	7.7
95.01220	5.6
96.95868	58.8
96.96815	7.1
97.02830	5.9
99.00733	7.7
99.04367	59.8
99.05457	4.9
101.02291	50.4
111.00657	6.5
113.02316	26.6
119.03350	23.3
122.03567	8.1
123.04292	4.4
125.02317	85.2
128.03429	7.6
143.03444	8.3
143.04529	14.3
149.04417	5.0
150.03069	7.4
153.01848	12.6
161.04456	11.8
168.04169	37.8
179.05501	16.5
183.06554	84.6
221.06631	14.8
256.02005	5.3
263.07767	8.8
305.08838	14.5
306.07657	18.4
323.09814	100.0
365.10895	14.8
633.84503	5.3
647.52216	5.2
651.21838	7.0
657.54901	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	651.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48707	0.6
55.60999	0.6
60.30145	0.6
63.42779	0.6
64.39303	0.7
77.66326	0.6
93.03338	1.0
96.95844	1.4
98.56938	0.7
108.02051	1.3
109.02802	0.9
121.02766	0.9
123.04396	0.7
124.01526	1.4
135.04422	1.2
137.02307	3.0
139.03880	1.0
148.01489	1.0
149.02304	2.2
150.03105	14.9
151.03893	9.6
152.01015	2.8
159.00748	0.8
161.02324	2.8
161.05971	0.9
162.03120	24.3
163.03867	3.0
164.04642	0.9
165.05463	13.7
167.03416	4.4
170.42413	0.7
175.03926	1.3
176.01042	2.9
177.01854	2.6
177.05498	5.2
178.02592	6.0
179.03406	20.4
180.04193	62.0
189.12698	1.6
189.36360	0.9
191.03386	2.5
192.04185	1.7
193.04980	9.0
194.05736	13.9
195.06554	100.0
196.06981	2.3
203.10805	0.9
205.04942	1.0
205.12369	1.1
217.12294	1.2
231.10278	2.2
243.10255	3.6
245.11874	9.4
246.20015	0.8
259.09836	2.3
261.11346	7.0
371.11377	1.3
373.09018	1.1
375.12439	0.9
387.10919	4.3
389.12735	2.4
403.10349	2.4
409.16571	2.2
426.64801	0.9
439.17590	10.9
633.23444	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45575	1.1
56.53366	1.0
69.87531	1.1
70.47377	1.2
90.39611	1.3
107.04908	1.4
111.57435	1.3
114.91145	1.3
121.02828	3.2
124.01522	1.2
133.02824	2.1
135.04408	2.1
137.02373	2.8
149.02361	2.8
150.03125	9.9
151.03899	15.5
152.01050	1.9
161.02344	4.2
161.06026	2.9
162.03116	25.0
163.03909	4.5
164.04678	1.9
165.05452	9.5
167.03419	2.6
175.04077	1.5
176.01114	3.4
177.01866	4.9
177.05408	6.2
178.02615	17.4
179.03403	45.8
179.07050	4.3
180.03000	0.9
180.04190	54.0
191.03465	3.2
192.04243	3.5
193.04979	18.0
194.05766	39.4
195.06548	100.0
202.10112	1.4
205.12317	2.5
209.08157	1.5
213.01840	2.6
215.10803	2.2
217.05191	2.2
217.12363	4.1
233.11784	6.8
243.10251	3.5
245.11815	32.7
246.12297	1.5
257.00833	6.1
258.01712	4.0
259.02435	1.9
259.09787	5.0
261.11322	2.8
263.12927	4.0
372.11957	1.6
387.10892	2.3
389.12677	1.9
391.11484	1.7
409.16733	2.1
419.15741	1.5
439.17542	11.8
551.88416	1.6
603.22729	1.8
633.23901	2.9
651.25189	1.6
657.24805	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	651.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03771	1.8
57.26086	1.7
59.01240	2.2
69.04795	1.8
77.82414	2.5
84.41470	2.2
97.86944	2.1
105.41525	2.1
108.02033	10.0
109.02816	14.2
110.05080	2.1
121.02757	2.3
123.04397	9.0
129.97112	2.2
132.92371	2.3
134.03644	4.0
145.02837	5.1
146.03621	11.5
147.04381	12.1
152.99553	3.3
158.03642	10.9
159.04440	30.2
160.84059	3.7
161.02350	9.4
163.03946	4.4
172.01514	2.7
173.02356	16.3
173.19676	2.2
175.03932	8.2
185.02425	2.9
189.01866	3.5
190.02698	3.5
203.03430	17.8
221.06374	2.3
223.98534	2.4
229.01428	9.9
236.46796	2.5
248.04636	2.6
249.05769	3.9
250.06290	2.6
250.50304	2.3
253.05174	5.3
265.05060	11.0
266.05832	25.9
267.06622	7.9
268.07513	4.6
277.04999	3.6
281.07996	11.6
283.09842	5.9
293.04559	4.7
294.05359	19.7
297.24316	32.4
309.07675	38.2
353.06818	16.8
437.26855	3.1
465.26385	14.6
483.27554	30.2
497.28992	2.7
529.28400	15.2
589.31641	4.4
607.32831	100.0
608.33282	6.5
631.74530	2.8
651.32092	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.2
67.21001	0.6
105.14561	0.7
121.02817	3.2
123.08022	1.2
124.01527	1.5
135.04401	1.9
139.00319	1.1
145.02814	1.7
146.03621	47.0
147.04401	1.4
150.02983	0.8
152.01076	1.7
161.05966	16.3
162.03119	2.9
163.03902	2.3
164.04688	33.8
164.09441	0.9
165.05232	1.0
167.03400	1.2
177.01845	3.5
178.02577	3.0
179.07051	100.0
180.04205	2.2
180.07364	2.1
191.03409	1.9
192.04199	3.1
193.04997	5.6
195.06544	2.9
207.06482	0.9
209.04536	1.0
373.09406	1.9
387.11188	1.5
403.10272	5.0
454.39990	0.9
607.38641	1.0
651.24420	1.0
651.37024	1.2
657.47772	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51549	0.5
56.42149	0.5
59.01225	2.1
59.71314	0.5
61.98682	1.5
62.50552	0.5
64.96959	0.6
84.02042	0.6
84.24821	0.6
95.04897	0.9
96.57867	0.6
99.07990	0.8
108.02038	1.1
109.02807	2.3
120.01984	0.6
121.02815	10.2
123.00740	0.7
123.04376	3.8
123.08047	1.7
124.01540	1.0
125.02238	0.8
125.05953	0.8
135.04364	2.5
137.02286	5.6
138.03130	0.8
139.03899	5.7
145.02852	1.9
146.03622	47.7
147.04375	1.8
148.01381	0.6
149.02321	2.2
150.03093	1.5
151.00252	0.7
151.03922	2.0
152.01053	3.8
153.01833	1.0
161.02342	1.1
161.04803	0.4
161.05966	14.6
162.03117	4.4
163.03899	3.4
164.03300	1.5
164.04684	32.3
165.01788	1.2
165.05415	1.5
165.09058	0.7
166.02596	1.1
167.03406	3.5
168.38083	0.6
175.03981	0.8
176.01067	1.5
177.01843	5.8
177.05435	1.0
178.02643	8.6
179.03372	2.4
179.07047	100.0
180.04184	8.6
180.07414	1.2
181.04863	0.9
191.03416	2.1
192.04237	2.8
193.01450	1.0
193.04979	12.8
194.05701	1.3
195.06554	12.2
205.04910	0.8
209.04446	3.6
233.11809	1.6
261.11218	2.6
263.12881	2.0
279.12451	1.4
356.08960	3.9
357.09839	0.7
371.11401	7.3
387.10904	5.5
389.12354	2.6
402.13287	2.1
403.10187	1.0
549.10828	0.9
593.12988	2.8
607.38177	0.8
627.83649	0.7
651.25128	2.8
651.37408	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52212	1.4
59.01242	89.7
61.98686	2.9
69.03308	2.7
71.01235	17.9
72.99194	3.0
73.02796	3.2
81.03306	2.4
83.01257	3.7
85.02805	4.0
87.00731	3.9
90.16001	1.5
91.03838	2.5
92.91348	1.4
95.88738	1.6
96.95871	6.7
99.80348	1.6
101.02303	4.3
113.02312	4.7
124.01555	4.7
125.02302	8.3
145.02853	3.1
164.10612	2.0
201.21312	1.8
210.94046	2.0
241.09814	4.4
242.10228	3.6
251.20094	2.5
258.49240	1.9
269.21265	24.0
270.21368	2.6
287.22186	10.1
301.11765	4.4
302.12299	8.8
303.12344	2.0
319.12936	4.0
320.13257	4.2
329.23413	2.5
413.25433	18.3
431.26575	20.1
440.20535	2.5
455.26926	2.6
473.27579	84.3
474.27841	4.7
491.28604	11.7
515.28619	100.0
516.28949	5.2
533.29761	27.6
621.28485	8.7
651.29187	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	651.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57832	0.4
55.01728	0.7
57.03298	0.9
58.00452	1.0
59.01243	38.5
59.02421	0.8
61.98676	1.2
68.99664	0.8
69.03287	1.6
71.01238	24.0
71.02797	0.5
71.78084	0.5
72.99158	0.9
73.02809	4.4
78.28218	1.2
81.03307	2.1
83.01244	4.3
85.02808	5.1
87.00730	6.0
89.02296	30.9
91.03838	0.8
91.69288	0.5
93.36539	0.4
95.01232	1.2
97.02802	4.3
97.10915	0.4
99.00721	2.3
101.02301	23.6
110.05073	0.5
111.00742	0.6
111.04346	0.6
113.01566	0.8
113.02303	12.0
115.03879	0.8
118.35255	0.5
119.03358	10.4
125.02307	9.9
131.03394	1.2
133.04938	1.2
139.03877	1.0
142.02617	0.7
143.03384	4.3
149.04431	1.2
161.04459	6.1
169.04924	0.7
179.05542	4.3
185.04581	0.5
196.32697	0.5
199.06067	0.5
199.82622	0.5
209.96837	0.6
216.89682	0.5
217.07121	1.1
220.56769	1.1
221.06606	2.4
235.08203	11.0
245.06691	0.7
253.09605	2.9
253.21724	100.0
254.22026	4.8
263.07794	1.3
277.09290	1.3
287.07568	2.9
305.08887	2.8
323.09811	1.6
361.11349	0.6
379.12451	0.7
397.13528	73.4
398.13690	2.3
415.14587	28.1
416.14828	1.5
431.14993	0.8
434.77274	0.6
445.16699	2.3
446.17432	3.6
459.18399	1.2
460.19009	4.0
461.19705	1.8
475.21152	0.7
518.19696	0.9
519.20715	0.7
606.25391	2.5
620.26563	2.7
621.27374	7.2
651.28162	12.7
652.28833	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49658	0.4
55.90939	0.4
57.03288	0.8
58.00448	0.7
58.32719	0.4
59.00007	0.6
59.01244	33.3
60.51063	0.4
61.73974	0.4
69.03288	1.0
69.64447	0.5
71.01241	24.4
72.99142	1.8
73.02813	5.3
75.00723	0.7
76.94455	0.5
78.28210	0.7
80.53793	0.4
81.03316	1.2
83.01227	1.9
85.02807	6.2
86.33476	0.4
87.00732	6.3
87.04379	0.6
89.02299	27.5
91.03824	0.8
91.44409	0.5
91.73429	0.9
95.01215	1.3
97.02345	0.5
97.02821	5.6
99.00719	1.8
99.04372	0.5
100.99522	0.5
101.02305	25.8
103.03811	0.4
109.02824	0.6
111.00715	0.6
111.04387	1.2
113.01566	0.9
113.02307	12.0
114.38631	0.5
116.50785	0.5
118.75988	0.5
119.03371	10.2
125.02322	9.2
127.03867	0.6
131.03349	1.5
133.04941	1.0
139.03867	0.9
143.03375	4.8
149.04456	0.9
156.26683	0.5
161.04446	5.9
167.64169	0.5
175.40230	0.6
179.05560	5.1
182.43607	0.5
185.04440	0.6
204.03999	0.5
217.07153	1.1
220.56908	0.6
221.06566	2.3
235.08189	10.3
253.09081	2.5
253.21725	100.0
254.22227	0.8
263.07672	1.5
277.09488	0.7
287.07626	2.2
305.08722	3.4
323.10022	1.1
379.12537	1.0
397.13538	77.0
398.13989	0.8
412.72861	0.6
415.14612	27.1
626.41595	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.3
61.97434	1.9
61.98694	100.0
62.00126	1.0
70.58265	0.2
76.80151	0.2
89.48778	0.2
102.84493	0.2
107.36873	0.2
112.08723	0.3
112.91071	0.2
123.04456	0.3
137.02406	0.3
146.03654	1.2
161.06070	0.4
162.03105	1.3
163.03586	0.4
164.04759	1.1
166.70041	0.2
167.03415	0.3
177.05460	1.2
178.02621	0.6
178.05850	0.5
179.03377	0.2
179.07095	2.5
180.04112	0.2
180.07426	0.7
192.04250	0.3
193.05034	1.1
194.05418	0.5
195.06583	0.3
207.92021	0.2
209.07919	0.2
233.11938	0.2
310.01175	0.2
379.52924	0.2
425.86942	0.2
566.36908	0.2
585.15948	0.2
607.38892	1.0
608.38910	2.2
649.68646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61465	0.3
56.34647	0.3
58.43811	0.3
60.36583	0.3
63.02264	0.3
63.16410	0.3
63.91557	0.3
65.38654	0.3
67.92125	0.3
76.83906	0.4
83.01286	0.4
84.22456	0.6
84.35515	0.4
87.07664	0.3
97.27803	0.3
101.39764	0.3
107.01251	0.7
108.03686	0.4
109.71884	0.4
112.56196	0.4
112.75573	0.4
115.71400	0.8
115.72175	0.7
116.86470	0.4
119.54570	0.3
123.80756	0.3
125.02363	0.5
127.32883	0.3
151.00256	3.5
153.01845	0.4
163.00273	1.0
171.04422	0.5
174.03154	0.7
178.99837	0.7
187.03979	0.6
190.02519	0.5
198.03134	0.5
199.03915	1.0
201.01913	0.5
202.02699	1.2
203.03421	1.6
205.01506	0.4
213.01920	1.0
214.02711	1.3
215.03461	1.8
225.01913	0.6
227.03534	0.6
230.02176	6.5
231.02924	2.3
241.01401	4.2
242.02180	11.2
243.02974	5.6
245.00868	0.5
245.04610	0.5
255.03139	0.7
257.01038	1.2
257.04648	0.6
257.98923	0.7
258.01682	11.7
259.02481	8.8
259.05182	0.6
261.00497	0.4
269.00909	1.5
270.01709	9.5
271.02521	9.1
272.03238	2.1
273.04056	9.3
273.06970	0.6
274.01382	1.8
274.04785	1.4
285.00717	0.8
285.04050	3.1
285.97980	0.5
286.01205	13.2
287.02005	13.6
287.05515	1.8
289.07193	1.0
297.00391	0.7
298.01230	4.2
299.01987	2.7
300.02783	0.8
301.03522	13.0
302.04364	1.7
303.57401	0.4
314.00864	2.2
315.01505	34.5
315.04767	1.6
316.02271	0.7
316.05881	2.2
317.06613	1.7
328.02393	0.5
329.03046	54.3
330.03815	35.1
331.04309	0.9
343.04498	0.9
344.05383	30.7
345.06171	100.0
346.06497	2.5
387.07181	0.6
459.82416	0.4
582.52722	0.5
623.15369	0.6
653.17316	91.9
654.17609	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	653.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75395	0.4
57.43506	0.3
60.37269	0.4
84.22435	0.7
84.35463	1.1
84.35986	0.9
85.87782	0.5
86.99728	0.4
90.13330	0.5
106.76332	0.4
107.01270	0.5
109.71879	0.5
151.00282	1.7
163.00267	0.8
174.03151	1.0
178.99829	0.5
202.02693	1.7
203.03426	2.3
215.03453	2.3
217.01498	0.6
229.01283	0.5
230.02180	3.9
231.02966	2.6
241.01457	1.0
242.02281	1.1
243.02959	4.7
246.01692	0.5
258.01706	7.3
259.02435	8.8
269.00983	0.8
270.01682	1.4
271.02493	8.9
273.03940	0.6
285.04105	1.0
286.01212	18.6
287.01950	16.9
298.01181	1.0
301.03540	11.8
302.04041	0.8
314.00717	3.4
315.01489	44.3
316.01724	1.1
329.03040	40.0
330.03827	100.0
331.04291	2.4
336.77124	0.6
344.05414	1.9
345.06174	92.7
346.06476	1.9
359.86636	0.5
367.24252	0.5
653.17328	55.5
654.17096	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	653.1727
Annotation	Syringetin 3-rutinoside
Peak:m/z	Relative Intensity
50.78091	0.3
51.25816	0.4
63.16986	0.3
83.33938	0.4
84.22424	0.6
96.95856	0.7
99.49319	1.0
100.93302	0.6
116.67812	0.5
118.22295	0.4
125.02259	0.7
125.65993	0.4
151.00185	0.9
174.03149	0.4
177.01794	0.8
187.03888	0.4
190.99864	0.5
193.71483	0.4
199.03952	0.6
202.02634	1.6
203.03526	0.7
215.03435	1.0
229.01498	0.4
230.02176	5.2
231.02965	1.1
241.01477	0.9
242.02190	1.0
243.02986	2.1
258.01694	8.8
259.02432	3.5
269.00827	1.0
270.01706	1.9
271.02481	2.0
273.04214	0.7
285.04297	0.6
286.01199	30.9
287.01953	7.7
297.00296	0.5
298.01328	1.7
301.03549	18.2
302.04263	0.5
314.00751	6.0
314.04279	0.8
315.01477	23.6
329.03040	100.0
330.03793	33.8
331.04395	0.9
344.05307	5.2
345.06165	39.7
346.06622	1.4
372.05087	0.6
461.07361	1.5
476.09625	24.0
477.09741	0.9
490.21698	0.5
491.11969	71.6
492.12476	2.7
507.11435	48.0
508.11823	2.2
585.04932	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95013	0.3
59.01249	1.0
70.35500	0.4
71.01241	1.1
71.10168	0.4
77.74464	0.4
83.01262	0.4
84.06434	0.4
85.02802	0.5
86.01167	0.8
87.87206	0.4
89.02290	0.7
91.73370	0.6
93.03410	0.4
96.95873	0.4
99.08017	3.7
101.05937	0.7
101.79158	0.5
103.28075	0.8
103.28715	0.6
107.01244	0.9
107.04860	0.4
115.32178	0.6
118.04132	0.5
125.02327	1.0
135.04474	0.6
136.05165	0.5
151.00279	1.9
163.00262	1.0
173.04497	0.5
175.11234	0.5
177.01889	0.5
177.12788	0.9
191.05467	0.6
193.12256	2.5
194.12625	0.8
199.03957	1.0
201.01849	0.8
215.03435	0.9
229.01393	4.6
230.02151	1.8
241.01407	3.0
242.02191	2.7
243.02945	2.0
255.02977	0.7
257.00906	30.3
258.01691	4.6
259.02542	1.8
262.49185	0.4
269.00958	4.8
270.01563	2.9
271.02527	2.6
272.03287	7.2
273.04013	3.3
274.04794	0.5
284.03244	0.5
285.00415	24.7
286.01205	6.0
287.02039	5.0
287.05377	0.9
297.00412	1.5
298.01108	0.8
300.02753	24.2
301.03561	7.3
302.04346	0.9
312.99652	0.7
314.00745	1.2
315.01489	12.5
315.05148	5.4
316.06024	1.4
317.06808	0.9
325.09375	2.4
326.09625	1.5
327.10651	2.8
328.02277	14.2
329.03030	17.9
330.03787	11.4
343.04605	100.0
344.05270	12.3
345.06168	53.9
346.06482	1.5
390.51724	0.5
422.02692	0.4
455.14175	0.7
475.08765	10.8
476.09329	1.0
490.11209	26.1
491.11966	46.7
492.12558	1.4
507.11438	46.2
508.11884	2.0
653.17310	48.5
654.17242	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	653.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42647	0.6
71.01220	0.7
74.75002	0.7
96.95889	1.1
122.05991	1.5
125.85611	0.7
134.03520	1.2
134.05983	1.5
136.07556	1.0
138.09125	2.0
142.06436	0.7
148.03932	5.4
150.05510	2.9
153.73035	0.7
159.05524	0.8
160.03958	0.9
161.04659	1.4
162.05510	1.6
166.54759	0.7
173.03410	1.3
174.04245	2.4
174.05528	1.3
193.05003	1.1
200.07079	1.6
203.08163	1.3
211.08774	1.4
212.10841	0.8
215.08316	1.7
217.09772	1.8
219.38870	0.9
223.08723	2.5
225.06577	0.9
226.07207	1.1
227.06221	1.0
227.08095	3.8
229.06152	0.9
231.07762	1.2
237.06447	1.1
238.07434	1.2
239.08334	1.4
240.05466	1.3
240.09036	0.8
241.06078	4.3
241.09825	2.7
242.06935	8.6
243.07722	12.5
243.11417	1.8
244.08522	1.4
250.07468	1.6
251.08308	4.8
252.09012	4.5
253.06192	2.1
253.09805	3.3
254.07008	3.0
255.07770	19.7
255.11476	1.7
256.08551	9.5
257.09299	4.0
264.09167	2.0
265.09851	12.0
265.13037	1.2
266.10587	30.1
267.07947	2.3
267.11420	13.7
268.08426	4.2
269.09314	17.1
270.10095	11.0
271.10992	5.2
281.09494	1.2
282.10229	1.6
283.10825	6.4
284.11661	6.8
285.09479	1.1
285.12399	7.4
301.12170	2.1
302.13110	1.0
311.10373	2.4
314.09106	7.3
315.09912	12.9
327.09839	4.2
328.10767	2.3
329.11404	7.4
343.09494	2.9
343.14285	1.5
344.10266	2.6
344.14078	1.7
345.06168	1.3
345.15912	1.3
346.15735	1.5
357.11218	2.6
358.12003	3.0
359.12701	1.9
360.13553	5.6
362.11240	1.6
362.15158	1.3
372.13583	17.3
373.14111	3.2
376.12885	2.4
377.13696	1.0
378.14325	1.0
386.15152	6.3
387.15988	9.7
388.16705	24.4
389.17300	1.2
390.14636	1.4
394.17719	1.2
405.16946	1.9
407.18353	1.0
414.14740	1.7
432.15662	42.8
433.16409	1.3
434.13702	1.0
437.19873	1.0
448.15152	3.3
449.15906	6.8
450.16769	30.3
451.17026	1.5
454.19778	2.9
466.19839	4.1
496.20935	19.9
497.21402	1.3
513.60486	0.8
555.26141	1.0
587.25299	7.7
617.26245	100.0
618.26758	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.9
57.03300	0.8
59.01242	23.4
59.02394	0.6
61.98687	2.2
64.39439	0.6
71.01239	5.7
72.99133	0.6
73.02803	3.5
78.95770	0.8
83.01250	2.9
85.02790	4.1
85.99947	0.7
86.75846	0.5
87.00722	1.3
89.02316	1.1
91.73308	1.0
96.95877	1.0
99.00733	1.5
100.72826	0.6
101.02280	5.6
104.98746	0.6
107.70615	0.5
110.90121	0.6
111.00748	1.1
113.02309	1.8
119.04908	0.6
125.02263	0.8
141.01726	0.7
145.02803	0.9
163.03934	0.7
205.12265	1.4
219.13872	5.9
270.09079	0.6
329.24826	1.0
331.26428	1.7
343.26700	1.1
350.80801	0.8
359.25861	1.7
361.27481	20.2
523.32965	3.4
549.30609	1.4
567.32025	5.5
572.18811	0.8
609.32843	100.0
610.32806	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	653.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95762	0.3
57.03299	0.9
57.23291	0.4
58.00451	0.6
59.00001	0.6
59.01242	42.7
59.02576	0.5
60.90548	0.3
69.03294	1.4
70.99635	0.4
71.01238	28.9
71.02656	0.4
72.99149	1.4
73.02797	5.8
75.00708	0.4
78.62762	0.8
78.95716	0.4
79.04659	0.3
81.03311	1.4
83.01236	3.5
84.17610	0.3
85.02804	7.0
85.99929	0.4
87.00732	7.1
89.00005	0.5
89.02296	32.7
91.03831	0.8
91.72733	1.2
94.27477	0.4
95.01230	1.5
97.02806	6.0
99.00744	1.9
100.46999	0.4
101.02303	29.4
109.02805	0.6
111.00751	1.0
111.04382	0.6
113.02308	12.4
115.03859	0.6
119.03370	9.9
123.04357	0.4
124.01556	0.6
125.02312	11.1
127.03886	0.5
127.43194	0.4
129.46394	0.5
131.03348	1.3
133.04944	1.5
139.03903	1.1
141.01857	0.4
143.03391	5.3
149.04440	1.0
156.26668	0.4
161.04434	6.4
163.03841	0.4
167.03384	0.6
169.04971	0.9
179.05528	6.0
185.04448	0.7
203.05611	0.4
208.07877	0.4
217.07117	0.8
218.94608	0.7
221.06641	2.4
235.08186	12.1
245.06639	0.7
253.09213	2.0
255.12337	0.9
255.23289	100.0
256.23624	2.0
263.07730	1.6
269.25107	0.4
277.09229	1.0
287.07785	3.2
305.08813	3.7
323.09863	1.4
361.11682	0.7
379.12509	1.2
397.13528	84.4
398.13986	1.6
415.14578	30.4
571.28558	0.5
607.25433	0.5
653.37634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00393	0.2
53.94139	0.2
57.03312	0.8
57.03569	0.3
58.00449	0.7
59.00091	0.9
59.01243	43.2
59.02548	0.7
68.99673	0.4
69.03316	1.9
70.99698	0.5
71.01239	29.5
71.02960	0.4
72.99169	1.4
73.02805	5.4
75.00739	0.8
78.62784	0.7
78.63168	0.3
81.03322	1.3
83.01241	3.9
85.02808	7.1
87.00732	6.9
89.00145	0.5
89.02297	33.0
90.16480	0.3
91.03869	0.6
93.03307	0.3
95.01237	2.0
97.02806	5.9
99.00736	2.3
99.04379	0.5
101.02302	27.6
103.00212	0.3
103.03866	0.6
109.02814	0.8
111.04397	1.1
113.02308	14.2
115.03858	0.8
119.03371	9.5
119.04070	0.3
121.02831	0.5
123.00780	0.4
124.01571	0.6
125.02310	10.9
127.03828	0.5
131.03403	1.6
133.04950	1.0
137.02309	0.5
139.03893	0.9
141.01799	0.7
143.03380	4.9
149.02486	0.3
149.04453	1.0
157.04945	0.4
159.02861	0.4
160.71051	0.3
161.04448	6.2
167.03328	0.5
169.04919	0.7
179.05530	5.8
180.73180	0.3
185.04472	0.7
199.06064	0.6
217.07120	1.2
221.06570	2.4
235.08203	12.7
245.06688	0.6
253.09360	2.7
255.12955	1.0
255.23293	100.0
256.23666	2.4
259.08170	0.4
263.07764	1.6
265.68689	0.3
269.24875	0.5
277.09366	0.9
287.07748	3.2
305.08817	3.8
306.05911	0.4
323.09729	1.6
361.11588	0.7
379.12466	0.7
397.13528	79.1
398.13974	1.4
415.14612	27.3
416.14584	0.3
653.37646	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.152
Annotation	Mearnsetin 3-galactosyl-(1->4)-galactoside
Peak:m/z	Relative Intensity
51.34114	1.4
52.31435	1.4
54.60025	1.3
59.01236	4.9
65.00183	2.7
71.01227	4.3
83.01228	2.2
87.00742	2.2
101.02282	1.8
107.01247	5.8
111.00725	5.9
111.49387	1.9
119.04888	3.0
123.00694	2.0
124.01534	2.5
125.02345	2.6
135.00726	2.0
137.02313	2.3
137.99600	2.0
139.00246	7.9
151.00272	16.7
152.01041	3.5
159.04367	2.5
161.02330	2.4
163.00291	4.2
163.03893	2.5
165.98926	3.6
166.99744	1.9
169.01314	2.1
174.03110	2.5
175.03854	2.7
177.01747	3.8
178.99762	16.9
185.02350	2.6
186.03062	2.5
187.03929	4.7
191.01949	2.2
201.01820	3.2
202.02638	7.3
203.03372	9.9
213.01891	5.5
214.02657	5.1
215.03503	5.7
217.01367	4.5
219.02957	2.2
230.02203	7.0
231.02998	10.4
241.01447	5.6
242.02185	6.7
243.02977	10.0
245.00822	2.2
247.02440	2.4
255.02968	2.4
257.00906	9.7
258.01672	16.6
259.02481	24.8
269.00955	3.9
270.01703	5.7
271.02429	23.6
274.01199	3.1
275.01886	4.9
285.00443	8.8
285.03812	3.6
286.01160	15.1
287.01993	69.0
288.02637	3.8
300.02664	5.2
301.03531	15.0
302.00735	2.0
302.04227	6.3
303.01498	7.3
303.04901	3.7
307.21289	2.7
314.00687	10.3
315.01498	69.9
316.02243	55.7
317.03003	13.3
318.03787	3.6
319.04257	1.9
328.02356	3.6
329.03058	62.2
329.07004	3.1
330.03461	3.9
331.00958	18.2
331.04501	3.6
332.01807	5.5
346.03317	32.7
347.04053	20.7
357.02560	4.2
463.08829	53.1
463.74576	2.0
611.16650	3.3
623.12500	27.7
624.12445	2.3
629.78223	2.0
637.13855	18.5
655.15259	100.0
656.16449	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	655.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38029	0.3
56.10596	0.4
57.03298	0.9
59.01246	2.1
64.43903	0.4
71.01246	2.5
71.04851	0.4
71.27496	0.3
75.00730	0.8
85.06439	13.0
87.00731	3.4
89.64658	0.3
91.73304	0.5
99.00687	0.9
101.07383	0.3
109.02792	1.1
113.05943	14.3
115.00219	7.1
115.03872	32.7
118.57491	0.3
121.02777	0.5
124.98645	0.3
125.01440	0.7
125.02312	10.2
129.05417	0.9
131.06992	2.9
135.02898	2.0
137.02316	1.6
139.03877	0.7
149.02304	0.7
151.00272	0.8
157.04939	3.9
159.02893	1.0
163.00285	0.9
164.01001	0.4
165.01872	2.3
167.03394	0.7
171.07765	0.4
175.00209	1.1
175.02451	13.2
175.06024	100.0
176.06314	0.8
177.01831	7.8
179.03346	0.7
189.01909	0.6
191.03355	0.7
193.01370	0.8
195.02953	0.8
202.99773	4.7
204.00531	0.7
205.01367	1.0
217.01375	4.4
219.02994	0.5
231.03006	0.5
238.52438	0.4
257.04501	0.5
281.04370	0.4
287.05396	0.6
298.02264	0.4
299.05551	1.1
303.05173	3.0
305.06790	1.2
315.05136	0.6
317.06561	0.5
323.04114	1.6
325.03305	0.5
343.04599	11.3
361.05688	6.8
371.03958	0.8
442.64896	0.4
461.07553	0.7
479.08066	0.5
491.27499	0.5
545.80194	0.4
656.92328	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26133	0.1
56.41302	0.7
56.41573	0.3
76.46584	0.2
77.03816	0.8
91.72733	0.4
93.03315	1.3
95.04852	0.3
99.20982	0.2
109.07919	0.2
120.99415	0.2
121.02824	9.6
123.00746	0.3
135.04431	0.4
137.02347	1.0
139.03851	0.2
149.02362	0.2
163.03964	0.2
164.01048	1.4
164.96370	1.2
165.01831	100.0
165.07979	0.8
166.02122	1.3
177.01878	0.6
179.03386	0.5
189.01840	0.2
207.02934	3.3
231.02827	0.3
327.07236	60.6
328.07556	1.2
491.58502	0.4
523.24268	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	655.232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27372	12.6
54.69707	11.8
61.98694	14.3
68.68905	11.6
77.90205	13.0
87.25082	14.1
88.16280	18.1
88.47305	15.2
123.76297	15.7
137.02258	100.0
149.41602	18.2
236.28764	15.1
269.06613	14.3
315.01089	21.7
465.81180	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	655.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	17.5
63.84977	2.7
69.03331	2.5
71.01254	28.2
73.02807	20.1
85.02802	19.0
87.00714	5.0
89.02302	23.6
91.73289	4.5
93.03320	3.0
96.95860	11.7
97.02824	3.3
99.79880	2.6
101.02309	50.8
102.56590	2.5
105.75817	3.3
107.08117	2.4
109.02820	4.7
110.15281	2.7
113.02328	18.2
114.49508	2.7
116.92731	7.8
119.03365	11.6
125.02293	23.3
131.03369	5.6
143.03395	8.8
145.04968	25.0
149.09615	23.3
159.02867	3.1
161.04471	34.5
176.82172	3.4
179.03400	4.2
179.05547	32.2
221.06612	16.0
247.08243	19.9
250.55125	3.1
265.09473	4.3
269.01047	7.0
351.73340	3.5
367.12473	12.6
409.13617	13.3
469.15659	78.6
597.51093	3.2
619.26215	34.4
655.23962	100.0
658.33081	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	655.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.6
58.99914	1.3
59.01242	100.0
59.02431	1.9
60.58814	0.7
65.26840	0.5
65.80530	0.6
71.01237	5.7
73.02812	1.0
78.95761	0.9
83.01259	0.7
83.27869	0.6
85.02817	1.8
87.00748	1.0
89.02287	5.3
97.02811	0.9
97.06446	9.8
101.02310	4.7
113.02302	2.5
119.03370	1.2
120.45858	0.8
123.08029	3.8
125.02223	0.9
125.09591	71.5
125.13287	1.1
141.01579	83.1
143.03360	0.7
152.99507	0.9
155.67607	0.6
169.08604	1.5
179.05566	1.3
187.09673	59.3
249.18600	9.3
253.09329	2.1
255.23322	4.0
256.23627	3.1
257.24014	1.3
261.13397	0.9
275.06158	3.8
277.21783	2.3
307.05728	1.0
312.23914	0.7
334.68579	0.7
359.21552	1.5
391.19769	1.2
397.13470	1.3
398.14001	1.9
399.13898	2.1
405.17734	4.5
416.14615	0.8
417.15082	1.0
423.18686	13.6
473.29623	1.0
535.27576	4.1
655.37061	78.5
656.37860	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11221	0.9
51.73134	0.9
59.00090	1.7
59.01244	100.0
60.14706	1.0
62.12603	1.2
68.35765	1.2
80.42307	1.1
88.79960	1.0
95.82690	1.0
141.00485	2.3
141.01578	70.7
161.76840	1.1
163.82738	1.2
172.14581	1.3
180.04044	1.4
206.69926	1.3
266.13882	1.2
275.06390	4.0
277.21802	3.4
359.21951	3.4
416.23260	1.5
473.30005	1.9
507.15231	1.4
535.27771	3.6
542.09314	1.4
595.29315	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	655.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28075	0.4
53.35230	0.4
55.01740	0.5
57.03305	1.1
59.00030	0.8
59.01241	36.8
61.98679	0.5
69.03294	1.3
71.01238	9.8
71.02580	0.4
71.04872	0.7
72.99155	0.9
73.02783	2.6
78.95746	0.6
81.03322	0.5
83.01228	1.6
83.04872	2.0
85.02802	3.6
85.99947	0.6
87.00730	3.4
89.02291	4.9
95.01251	0.6
95.04875	0.6
97.02824	1.0
97.06427	1.1
99.00718	0.7
101.02299	8.6
107.04881	0.9
109.06449	3.2
111.08006	3.5
113.02297	4.6
117.03372	0.5
117.82792	0.4
119.03347	1.2
119.04885	1.3
123.08057	0.6
125.02316	0.9
125.70878	1.2
133.04959	0.6
133.06393	0.7
135.08026	2.7
137.09599	2.8
145.02805	1.7
145.04947	3.0
161.04437	2.2
171.10211	0.6
177.12761	1.0
179.05531	1.2
179.14363	1.0
183.13713	0.7
189.01956	0.5
193.12297	0.5
203.14304	1.2
205.15950	1.4
209.11780	2.0
209.15466	0.7
211.13376	3.9
213.14914	2.7
219.13834	1.0
221.15440	0.5
223.13200	0.9
233.15358	0.6
235.08168	7.8
235.13248	0.7
237.14908	3.0
239.16501	2.1
247.13393	5.1
249.14984	1.9
251.16437	0.6
253.09450	0.6
261.15012	0.6
265.18146	1.5
287.23825	1.6
289.25266	1.2
297.22214	3.8
305.24957	1.1
313.21753	2.7
315.23239	5.1
323.20212	1.3
331.22729	5.1
333.24463	2.5
341.21237	7.0
349.23782	1.3
359.22311	29.9
360.22849	1.1
363.29282	0.6
377.23352	22.2
378.23920	0.9
388.58905	0.6
415.25049	4.0
451.26971	1.7
567.31915	1.7
577.30420	1.3
595.31268	100.0
596.31744	5.0
611.34418	1.9
619.31165	1.3
650.94354	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25926	0.8
58.99990	1.1
59.01242	53.3
69.03300	1.2
71.01245	12.9
73.02810	3.3
81.03305	5.7
83.01250	1.6
83.04885	5.9
85.02806	4.9
87.00745	4.2
89.02303	10.8
90.73872	0.9
91.36796	1.0
95.01231	1.0
96.95891	1.7
97.21638	0.7
99.00758	2.1
101.02313	10.8
104.07309	0.9
107.04876	7.0
109.06442	3.2
111.04380	18.6
113.02320	5.3
119.03389	2.1
119.04900	1.2
125.02328	2.2
125.05955	1.5
126.47717	0.9
137.05937	1.4
143.03432	1.1
145.02916	1.7
145.04947	4.2
145.06088	0.9
161.04469	4.0
179.05495	1.5
211.16959	1.9
221.15506	1.4
235.08174	8.5
235.74776	0.9
237.18555	4.6
239.16495	17.9
247.16971	3.3
249.18607	2.0
251.16516	4.0
253.09293	10.4
265.18091	23.7
271.21100	0.9
275.16544	11.6
277.18027	4.8
287.23770	1.9
297.22296	3.3
305.24854	2.7
313.21729	10.1
314.22324	1.0
315.23270	39.0
316.23657	1.2
331.22766	25.4
333.24429	13.4
341.10745	1.0
341.21310	10.3
345.65198	1.0
359.22330	26.8
377.23337	13.8
401.23328	1.1
529.16107	1.2
567.32013	2.9
576.02570	1.2
595.31299	100.0
596.31427	6.6
611.33466	1.4
619.31348	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	655.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.4
57.03309	1.3
58.00445	0.4
58.99919	0.6
59.01242	47.2
59.02405	0.8
65.12205	0.3
69.03304	1.0
71.00880	0.7
71.01239	10.1
71.04863	0.7
72.29958	0.3
72.99147	0.5
73.02802	3.5
74.80107	0.3
79.27793	0.3
81.03299	1.3
83.01260	2.3
83.04881	2.7
85.02794	3.7
87.00723	4.3
89.02293	6.5
90.36739	0.4
91.03878	0.6
95.01226	1.2
95.04881	1.0
97.02807	1.1
97.06421	0.8
99.00747	0.7
101.02298	9.1
106.04082	0.7
107.04926	1.8
109.06483	2.5
111.00716	0.4
111.04389	1.9
111.08012	1.7
113.02313	4.5
119.03352	1.4
119.04848	0.8
121.06427	0.5
123.08045	0.6
125.02316	1.4
125.70873	1.3
127.11102	0.4
131.03392	0.4
133.04903	0.8
133.06438	0.5
135.07990	0.6
137.09586	0.8
139.07498	0.5
143.03360	1.0
143.06866	0.5
145.02817	1.3
145.04980	2.8
145.06049	0.7
149.09679	0.7
161.04462	2.3
161.09578	0.4
162.06841	0.5
163.59114	0.4
165.08974	0.4
171.10153	8.2
179.05544	1.0
181.12228	0.4
183.10294	0.7
185.11760	1.0
193.12305	0.5
203.14302	0.7
205.15938	0.8
209.15445	0.5
211.13351	1.1
219.13771	0.6
221.15425	0.9
223.16945	0.4
235.08199	7.1
237.14900	2.0
237.18475	0.5
239.16537	3.7
245.02472	0.4
247.13350	1.7
247.17006	1.0
249.14925	1.2
251.16521	0.8
253.09398	2.0
265.18066	5.6
275.16522	1.2
277.17969	1.1
285.22458	0.6
287.23770	2.1
289.25220	0.9
297.22189	5.1
305.24832	2.4
305.74973	0.4
313.18399	0.6
313.21729	4.4
314.22305	0.5
315.23267	8.9
316.23370	0.5
323.20087	1.6
331.22849	9.3
332.23105	0.5
333.24438	4.0
341.21231	15.1
341.25372	0.7
342.21689	0.6
349.23825	1.1
359.22311	25.9
360.22610	1.1
377.23358	21.2
378.23886	1.0
451.26846	1.1
491.39038	0.5
539.64630	0.4
567.32031	2.2
577.29950	1.2
595.31287	100.0
596.31677	6.4
639.63776	0.5
655.33563	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61201	1.3
52.36706	0.6
55.28069	0.6
56.77675	0.5
59.01243	3.3
60.33337	0.6
63.95496	0.6
65.26337	0.6
69.03297	2.1
69.72443	0.6
71.01223	2.4
73.02780	0.7
73.97537	0.6
78.95750	1.9
83.53394	0.6
85.02778	1.4
87.00714	1.3
89.02290	1.4
95.04880	34.0
97.06445	88.7
97.08981	1.1
101.02284	3.8
113.02312	1.5
115.07504	7.2
117.03320	1.0
141.05455	1.8
145.02785	1.2
145.04947	1.2
152.99440	1.5
159.06523	31.0
205.97989	0.7
235.08160	2.3
253.09421	2.3
256.49869	1.6
270.48270	0.7
277.21732	33.7
377.14563	4.7
395.15735	5.0
457.92911	0.8
655.37036	100.0
656.37103	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	655.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38561	0.7
54.07524	0.5
57.03321	2.4
58.99967	1.4
59.01240	100.0
59.02379	1.5
70.63330	0.5
71.01237	4.3
78.95763	1.3
79.47618	0.6
85.02801	1.2
89.02294	6.0
95.04887	0.7
97.02819	0.9
97.06443	9.2
101.02303	4.7
113.02297	1.7
119.03372	1.0
120.45896	1.1
123.08039	3.9
125.02321	0.9
125.09588	74.5
141.01573	75.6
143.10704	0.8
161.04387	1.2
169.08607	2.1
179.05478	1.1
187.09671	61.9
233.50826	0.6
249.18597	12.4
253.09314	2.0
255.23341	1.7
256.23682	1.7
257.23969	1.0
275.06284	3.1
277.21738	3.1
307.06027	0.7
359.21747	1.8
391.19839	0.7
397.13577	1.4
398.14044	1.1
399.13907	1.5
405.17856	4.6
416.15002	0.9
423.18665	15.7
473.29816	0.9
535.27258	3.6
648.20483	0.7
655.37036	83.1
656.37604	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	655.407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13271	0.6
58.75591	0.7
59.01239	1.4
59.68658	0.7
61.98666	0.9
68.64895	0.9
70.87949	0.8
78.39668	0.9
80.95221	0.8
85.02821	0.8
96.95870	2.1
98.51584	0.8
102.23471	0.8
112.51542	0.9
124.56625	0.8
135.08015	1.6
145.02826	1.0
149.05984	4.2
150.06750	65.6
151.07214	1.2
156.43654	0.9
161.09676	1.2
163.07558	8.2
164.08337	14.8
179.10693	33.7
218.75198	1.0
287.81119	1.0
309.24084	1.2
311.22406	1.2
311.25885	2.5
313.23868	19.4
329.16653	1.0
460.31573	1.3
475.34274	5.6
478.32693	3.2
489.90573	1.0
492.34555	10.6
493.35339	36.0
494.36108	1.7
507.36945	1.4
511.59695	1.3
551.78522	1.6
642.24615	1.2
655.40729	100.0
656.40857	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	656.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21843	0.5
56.13973	0.4
59.01242	0.8
61.98692	58.2
61.99908	1.0
66.80848	0.4
75.76054	0.4
86.64822	0.6
91.73053	2.2
93.02811	0.7
93.03309	1.1
99.21115	1.0
99.21725	1.1
103.39469	0.5
107.01257	1.4
110.88207	0.5
112.08025	0.6
131.16817	0.5
131.98953	0.5
135.35280	1.4
136.64412	0.5
151.00264	1.9
164.33730	0.5
169.01251	0.5
178.99780	0.8
191.86665	0.5
211.03992	1.3
213.05539	0.5
227.03438	26.5
229.05066	1.7
239.03552	1.1
241.05107	0.5
248.66211	0.5
255.02971	52.8
256.03671	3.2
257.04636	1.5
283.02417	1.7
284.03265	85.3
285.03992	17.6
387.38303	0.7
394.13559	0.6
413.08786	1.4
509.63538	0.6
593.15155	100.0
594.15326	4.9
614.93939	0.6
683.71051	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17050	0.5
59.01244	0.9
59.35952	0.5
60.83109	0.5
64.62629	0.5
71.01237	2.8
71.17461	0.5
81.60165	0.6
87.10055	0.6
89.02311	1.3
90.31258	0.6
101.02271	1.2
108.02009	1.7
109.02816	60.3
114.94639	0.6
123.04395	0.6
125.02305	1.2
146.08157	0.7
153.01828	100.0
154.02191	1.8
179.03403	0.6
179.06967	1.5
297.05978	0.7
307.14117	1.5
315.07236	1.4
317.13867	0.8
333.09772	9.8
399.54117	0.7
495.15057	14.8
512.19775	1.8
513.20099	2.7
657.20215	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	657.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31979	7.1
55.91883	8.4
57.20847	8.9
61.18815	9.2
82.09010	8.5
96.95879	9.2
125.10677	11.9
151.03957	15.6
162.03154	17.7
167.03407	21.4
176.01004	12.6
178.02626	100.0
180.04172	14.4
184.11145	9.8
193.05000	86.5
195.06552	21.5
286.45212	10.8
341.10324	20.4
387.10925	31.1
403.65680	11.6
425.19690	23.6
621.27264	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	657.3132
Annotation	Ajugaside A
Peak:m/z	Relative Intensity
52.13363	0.6
55.01753	0.9
57.03309	1.4
59.01240	23.1
69.03305	0.8
71.01240	18.7
72.99171	0.9
75.00728	1.1
81.03315	0.9
83.01233	4.4
85.02800	8.3
87.00737	2.1
89.02297	14.5
95.01253	2.4
97.02799	1.9
99.00749	1.4
101.02301	22.7
113.02306	10.1
116.27037	0.6
119.03354	5.0
120.30573	0.8
125.02299	0.7
131.03378	2.4
141.01797	1.3
143.03375	1.7
159.02791	0.7
161.01805	0.7
161.04466	8.0
175.02487	0.6
179.05524	1.7
221.06589	3.4
255.21268	1.1
269.19159	2.5
271.20618	3.4
273.22211	2.1
282.87109	0.7
297.18500	4.0
299.20108	7.9
301.03510	1.0
315.19717	3.4
317.21246	9.1
333.20782	0.9
409.75168	0.6
465.09238	1.2
477.25024	1.2
495.25900	2.2
513.23499	0.7
639.29443	1.0
657.31342	100.0
658.31781	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	657.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99253	0.9
59.00097	1.4
59.01242	100.0
59.02494	1.7
67.62559	0.9
73.47333	0.9
97.50147	0.9
107.88354	1.1
141.01575	75.5
183.38626	1.0
275.06342	1.9
279.23245	3.8
337.07828	1.1
361.23129	2.4
537.29248	2.6
616.53033	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28924	0.6
57.03314	1.1
59.01239	14.8
59.01516	1.4
61.98693	1.0
67.28335	0.6
71.16932	0.7
73.90938	0.7
74.57070	0.6
83.04853	0.7
96.95869	0.9
107.46047	0.6
109.02842	0.8
118.94094	0.7
121.56102	0.7
157.19566	0.7
195.06573	0.9
233.11630	0.7
253.19627	1.3
267.17679	1.2
269.19113	5.1
271.20639	5.0
297.18613	4.1
300.25562	0.9
315.19681	19.9
333.20731	100.0
334.21161	2.3
360.22592	0.9
384.19211	0.9
412.12228	0.8
463.93381	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89288	0.2
59.19207	0.2
59.56330	0.2
62.24964	0.2
63.64596	0.3
73.49534	1.0
73.49983	0.4
74.12267	0.2
86.99110	0.2
90.52837	0.2
91.72771	0.3
92.02552	1.0
92.72220	0.3
106.04094	3.2
107.04887	0.8
108.02020	0.3
119.04895	6.0
121.02814	3.7
133.06467	3.0
137.02232	0.3
141.05544	0.2
146.22348	0.2
161.09651	0.4
175.11203	0.6
208.82585	0.3
237.77908	0.4
273.22260	100.0
273.33710	0.9
274.22647	2.7
275.66846	0.3
317.21231	76.9
317.35617	0.8
318.21591	2.6
339.19479	0.3
362.63623	0.3
374.92145	0.3
426.44333	0.3
438.36511	0.3
575.94971	0.3
657.41418	19.6
658.41760	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58302	0.4
57.61515	0.6
59.01244	1.7
59.03070	0.3
60.01575	0.4
61.97393	1.8
61.98694	100.0
65.73396	0.4
65.80327	0.4
71.01240	0.6
112.98653	0.6
117.03336	1.4
119.04894	2.1
119.10282	0.5
142.99738	0.6
145.02855	5.9
146.03181	1.3
155.13559	0.4
157.44089	0.4
159.12746	0.5
163.03963	1.5
205.03560	0.7
212.49550	0.4
340.46353	0.5
363.60638	0.5
404.48068	0.5
415.24869	3.9
416.25256	10.0
416.30402	0.8
550.54999	0.5
597.32355	1.2
598.32611	2.3
646.84827	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61960	0.3
53.47900	0.2
57.19329	0.3
57.28358	0.3
59.01232	0.8
61.98692	1.7
62.96268	0.4
63.02266	0.3
65.00185	0.4
65.53542	0.3
78.94138	1.1
78.95761	100.0
78.97660	1.7
87.00712	0.5
96.94582	0.7
96.96821	68.7
96.99407	0.9
107.01254	1.0
109.02840	0.3
109.75496	0.3
121.02852	1.2
121.73405	0.3
129.72910	0.3
134.54333	0.3
135.00725	0.3
143.63730	0.3
146.86978	0.3
148.01593	0.3
149.02419	0.4
150.03149	0.9
150.97919	10.2
151.00249	4.5
163.00296	0.4
165.05417	0.4
175.02397	0.5
178.99768	2.0
182.98337	0.4
184.66649	0.5
192.99002	7.7
201.05403	0.3
211.00078	32.1
215.09276	0.3
226.02786	0.4
227.03477	0.6
243.02924	1.9
245.04543	0.6
254.02138	0.5
255.02997	4.5
271.02502	9.9
272.03421	0.4
273.04202	0.4
283.02505	0.8
299.02185	0.3
300.02771	19.9
301.03546	14.1
304.98557	0.5
307.00159	0.5
332.98166	0.9
361.98532	0.5
362.99146	16.4
381.00378	0.4
390.54410	0.4
392.92877	0.3
445.16473	0.9
447.09341	18.2
509.04962	2.0
513.04572	0.7
523.19336	0.4
523.71124	0.3
527.06219	1.3
599.08453	0.7
659.10291	31.3
659.21948	1.0
660.10675	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3081
Annotation	Coproporphyrinogen I
Peak:m/z	Relative Intensity
50.73224	0.8
61.98670	2.9
63.22702	0.9
72.10732	1.1
80.96390	5.2
85.25439	0.9
91.01745	1.0
93.03320	1.2
94.14256	0.9
96.95834	1.8
106.44696	1.0
108.02016	1.6
109.02787	3.6
115.57835	1.1
119.01258	5.4
121.02799	2.3
123.04396	1.3
127.10966	1.2
135.00734	2.0
137.02306	2.6
139.03917	4.9
147.00760	35.0
161.02322	1.8
162.03067	1.6
163.00259	11.8
164.01033	4.0
165.01820	1.6
166.22372	1.1
177.05521	1.8
178.99857	1.5
180.04147	3.3
184.05159	1.3
185.06001	3.6
190.99776	1.9
192.00665	1.4
192.75101	1.1
195.04414	2.9
195.06528	7.5
196.05164	2.0
197.06000	1.6
206.99307	6.2
211.03931	4.1
212.04677	6.6
213.05508	14.6
220.00095	2.6
223.03978	3.5
224.04793	8.8
225.05450	3.3
227.03354	1.3
239.03494	11.3
240.04269	22.0
241.05049	30.0
242.05832	33.4
243.02950	1.8
243.06328	1.3
251.03413	1.5
255.06615	13.6
256.07346	2.0
257.08304	9.2
264.16898	1.2
267.02936	6.2
268.03793	45.5
269.04541	6.6
281.19901	2.0
283.06104	23.3
299.20444	1.3
311.01898	2.0
318.65839	1.1
327.05157	8.7
331.24847	8.7
368.22910	2.1
427.17484	1.6
523.25415	2.9
597.30261	1.9
599.28113	2.0
600.29852	1.5
615.31830	67.4
616.32245	4.5
641.29364	3.8
659.30792	100.0
660.30798	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	659.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24921	0.2
57.03319	0.7
57.89659	0.3
58.00448	0.7
58.10687	0.3
59.01233	1.0
60.47047	0.2
61.98676	0.5
64.64073	0.4
65.03819	0.8
67.01717	0.3
69.03309	0.7
71.01235	2.7
71.04869	0.6
72.99163	0.5
73.01139	0.3
73.02805	19.9
78.95763	0.4
79.51143	0.2
81.03317	2.5
83.04876	7.6
85.02808	4.1
91.72779	0.6
93.00953	0.6
93.03315	48.5
94.03639	0.6
99.00735	6.3
99.03728	0.4
99.04372	5.8
101.02322	0.6
109.02806	0.6
111.00690	0.5
111.04382	22.9
112.98705	0.4
113.02308	0.3
117.03397	0.4
119.04896	0.5
121.10793	0.3
129.01805	2.5
129.05414	1.3
137.02325	18.5
143.03374	3.9
145.02811	1.9
155.03394	10.6
163.03900	0.3
172.98349	1.0
173.04460	100.0
174.04805	1.0
183.38033	0.3
213.27835	0.3
244.82295	0.3
249.18568	2.2
253.09221	0.4
303.44604	0.3
362.07224	0.3
415.24927	2.6
470.01138	0.3
507.84576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78638	0.4
55.01751	0.5
59.01235	1.0
59.78514	0.4
60.58578	0.4
61.98665	1.2
65.03819	0.6
69.03309	0.7
71.01234	2.4
71.04890	0.8
73.02805	17.8
77.74117	0.4
81.03310	2.4
83.04877	6.2
85.02796	3.7
93.00718	0.5
93.03313	42.8
93.05616	0.7
99.00742	6.8
99.04366	5.0
101.02251	0.7
109.02823	0.5
111.00860	0.7
111.04379	20.0
112.98654	0.7
119.04906	0.7
129.01804	2.8
129.05458	1.9
137.02318	14.3
137.03372	0.7
143.03358	3.5
145.02808	2.2
145.29381	0.4
155.03400	10.3
163.03917	0.7
173.04456	100.0
173.10242	1.2
174.04793	0.5
189.01767	0.5
223.43640	0.5
240.81706	0.5
249.18608	2.2
377.69611	0.5
415.24887	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3448
Annotation	Wikstroelide J
Peak:m/z	Relative Intensity
55.58445	0.6
58.23692	0.6
59.01233	2.0
61.98718	0.7
72.80825	0.6
79.95567	2.2
80.94405	0.7
80.96371	39.1
85.03925	1.7
87.05483	3.0
91.58111	0.8
96.95852	2.6
99.15843	0.7
108.74828	0.6
111.72161	0.8
113.03431	1.4
115.08638	3.5
119.22804	0.7
121.99035	2.3
125.07030	0.9
129.10190	2.0
140.07079	2.3
141.06445	0.9
143.04457	1.1
151.08609	0.9
155.08112	1.3
155.11794	3.4
165.10202	3.2
167.08163	2.4
174.01588	2.8
175.02399	0.9
181.09782	2.0
182.12906	3.2
183.11363	1.5
184.10809	2.8
187.47589	0.8
189.98975	0.8
191.52423	0.7
193.75319	0.7
197.16609	3.6
200.13968	5.5
202.94078	0.7
211.14618	1.3
218.51724	0.8
228.17232	1.0
247.20822	0.7
252.20763	0.9
268.20410	4.3
281.19867	4.4
299.20767	2.1
309.19205	1.0
325.18738	1.9
327.20474	0.9
350.21671	1.8
362.55551	0.9
367.18863	0.8
367.27390	1.1
368.23071	9.3
407.26944	1.6
577.37183	3.3
659.34497	100.0
660.34698	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	659.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65985	0.4
61.98670	0.4
62.63943	0.3
66.03343	0.4
69.44485	0.4
70.40001	0.4
73.68823	0.4
74.69120	0.4
79.95587	1.5
80.04912	0.5
80.90054	0.5
80.96373	36.2
82.06481	0.4
84.08009	0.7
85.03921	1.7
87.05495	3.3
94.06490	0.4
96.95856	0.9
97.03950	0.9
98.02353	0.5
111.01871	0.6
113.03423	2.9
115.08615	3.8
121.99046	1.7
122.04708	0.5
125.07093	0.9
129.10193	3.3
130.08652	0.9
139.08620	1.2
140.07056	3.0
140.10593	0.6
141.06534	0.5
151.08624	0.5
153.10191	1.0
155.08209	2.1
155.11771	3.0
155.12830	0.4
165.10240	4.3
166.07318	0.5
167.08141	2.8
168.08858	0.5
169.09688	0.6
181.09749	1.6
182.12888	3.7
183.11269	2.3
184.10822	3.4
191.87526	1.1
192.59404	0.4
193.13408	0.8
194.11720	0.5
197.16539	3.7
200.13977	5.9
207.14957	0.5
210.12462	0.5
210.16100	0.8
211.14427	1.6
212.10336	0.6
223.14453	1.0
226.11925	0.9
228.17149	1.2
236.17674	1.1
252.20805	2.0
254.18806	0.5
268.20358	4.3
281.19876	6.6
294.18079	0.6
295.21152	0.6
297.19312	1.0
299.20871	3.3
307.21509	0.7
309.19153	0.7
312.06900	0.5
313.22458	0.4
325.18735	1.8
327.20255	1.2
345.26532	0.5
349.26193	0.6
350.21915	1.4
357.36322	0.4
367.27124	0.8
368.23062	12.4
381.28699	1.5
382.24615	0.5
407.26550	1.7
410.27664	0.6
425.07953	0.5
436.29407	0.6
490.23434	0.5
490.34103	0.9
524.96594	0.5
533.38245	1.7
577.37360	7.3
615.35651	1.4
659.34509	100.0
660.34790	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	659.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94414	0.5
54.21051	0.5
57.03307	1.5
59.01241	1.1
62.81328	0.5
70.22079	0.5
70.22508	0.5
71.04883	0.8
71.72678	0.6
72.92686	0.5
72.97952	0.6
75.87958	0.6
80.27192	0.6
125.09584	2.3
127.11152	2.3
137.09647	0.8
137.67188	0.6
139.11140	2.2
155.10710	1.2
157.12172	1.4
165.18236	0.7
171.10149	2.2
183.68282	0.8
201.11253	0.9
214.58430	0.8
228.53899	0.7
247.20648	9.6
265.21707	8.0
283.22879	1.2
291.19681	3.8
309.20758	16.6
313.23801	4.0
327.17984	1.0
327.21805	19.0
331.24905	20.0
332.25296	0.9
333.20651	1.9
345.22836	14.6
415.22656	0.8
641.46753	1.0
659.47473	100.0
660.47681	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	661.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54193	0.6
70.18673	0.6
77.85565	0.8
118.89424	0.7
123.00740	10.4
125.02297	0.9
138.02129	0.9
138.03110	15.0
139.03893	1.2
143.13429	1.0
153.05444	5.9
166.99759	10.2
174.34941	0.9
182.00494	1.2
182.02124	40.5
197.04486	100.0
197.11969	1.3
263.45840	0.7
309.85242	0.7
359.09692	1.4
566.57013	1.0
691.04541	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52642	0.1
59.01228	0.2
73.88951	0.1
77.23083	0.1
93.03313	7.4
106.04101	0.3
107.04876	0.3
119.04887	8.3
119.71819	0.1
120.05264	0.2
123.04365	0.2
130.04111	0.2
131.04906	0.2
132.05687	0.3
143.04903	1.8
145.06468	2.4
157.06474	0.8
158.07219	0.3
159.04451	0.2
175.14200	0.1
188.76634	0.1
209.09702	0.2
222.06863	0.2
235.07596	0.5
236.08389	0.2
249.09128	0.6
250.10014	0.9
251.10756	100.0
251.21875	0.8
252.11098	3.8
395.14990	2.4
413.16132	3.6
438.76843	0.1
455.17130	7.3
456.17609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	16.7
61.98689	12.1
63.01870	8.9
67.89642	10.3
71.01232	14.1
77.02843	10.3
78.95751	32.1
89.02303	13.0
116.41159	11.2
119.04912	18.2
145.02832	24.8
179.82088	11.5
208.48131	12.1
227.20149	43.1
325.70013	14.5
350.67404	12.4
397.13474	90.1
415.14450	22.3
585.60229	13.5
661.32239	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10685	0.3
52.21192	0.4
57.03303	0.7
57.91488	0.4
58.00465	0.8
58.99946	0.6
59.01244	50.9
59.02405	0.9
59.48197	0.4
60.82480	0.3
61.98694	0.4
69.03341	0.7
71.01240	38.4
71.02778	0.6
72.99178	1.7
73.02816	2.7
75.00727	0.6
76.66975	0.9
78.95767	0.8
78.98483	0.4
83.01246	3.0
83.04859	0.4
85.02807	6.5
87.00735	8.1
88.99899	0.6
89.02298	49.4
89.04475	0.7
93.03320	1.6
95.01257	2.0
97.02824	1.0
99.00744	1.9
101.02307	21.8
111.00777	1.0
111.04408	0.9
113.02306	21.6
117.01814	0.5
117.92782	0.5
119.03371	20.8
125.02310	1.5
131.03358	2.8
141.01852	0.9
143.03377	7.1
149.04407	2.4
149.42281	0.5
152.99460	0.8
155.03336	0.7
161.04457	7.9
171.00569	0.5
173.04469	3.2
179.05534	20.4
192.68788	0.5
203.41208	0.7
214.97592	0.6
233.22742	0.7
259.20642	0.6
272.16061	0.4
277.21738	100.0
277.33585	1.1
278.22092	1.2
291.12869	0.4
291.23312	4.3
301.21811	0.7
319.22867	5.1
323.09854	26.5
341.10901	53.5
342.11340	0.9
345.58118	0.5
474.10947	0.6
579.26611	0.5
601.32336	15.8
659.99274	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	71.9
61.98680	1.4
64.44998	1.3
71.01237	40.5
71.02848	1.4
72.99145	1.5
73.02802	1.9
75.65115	1.4
80.42733	1.9
83.01261	3.9
85.02810	7.2
87.00721	8.5
89.02300	47.5
91.73264	3.4
97.17440	1.5
101.02304	21.5
109.02786	2.1
113.02325	19.8
119.03370	22.0
125.02323	2.0
134.88237	1.6
143.03406	6.0
159.35616	1.5
161.04471	6.7
179.05530	18.2
190.36310	2.1
203.41260	1.8
216.74890	1.7
244.28139	1.7
277.21738	100.0
278.21835	2.7
291.23276	4.9
319.22800	3.8
323.09879	22.6
341.10907	51.6
390.33154	2.2
526.91919	1.8
572.84277	1.9
601.32117	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	661.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27187	0.1
56.86481	0.1
59.93722	0.1
60.82734	0.1
63.91564	0.1
64.14478	0.2
74.00163	0.2
74.00494	0.1
82.00494	0.1
88.84968	0.1
91.73329	0.1
92.02539	1.0
95.01227	0.1
106.03394	0.2
106.04099	4.0
107.04893	0.8
108.02004	0.5
119.04884	1.4
121.02817	6.6
133.06497	0.4
137.02319	0.4
145.39319	0.1
161.09537	0.1
189.12708	0.1
217.16365	0.1
273.22351	0.2
275.23813	100.0
275.35446	0.9
276.24146	4.2
319.22784	57.4
319.37350	0.5
320.23120	2.5
360.80331	0.1
528.45667	0.1
661.44525	16.0
662.44922	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.9
61.97434	1.0
61.98694	61.3
69.09576	0.7
78.24307	0.7
96.95860	1.1
99.64366	0.7
119.04826	0.9
120.95047	0.8
134.05971	1.8
134.69608	1.3
145.02824	1.2
148.03908	3.5
162.05542	1.7
200.07130	1.0
201.07974	1.3
213.06631	0.9
215.08241	2.0
223.08742	1.4
224.09453	1.2
226.07341	1.0
227.08243	3.3
240.08771	1.1
241.06154	2.3
241.09843	4.4
242.06963	9.2
243.07686	1.7
243.11421	1.0
250.07468	1.3
251.08246	4.4
252.09081	2.3
253.06100	1.4
253.09787	1.6
254.06981	4.6
255.07748	17.1
255.10542	1.4
255.11491	1.2
256.08566	3.8
257.09210	1.6
264.09000	2.9
265.09848	10.1
266.10611	29.0
267.07797	2.4
267.11395	3.1
268.08463	4.0
269.09320	25.2
270.10114	11.0
281.09616	1.1
283.10892	4.6
284.11667	16.9
285.12372	4.5
290.83810	0.9
301.12360	1.1
314.09085	10.1
315.09805	1.8
327.09955	2.4
328.10776	2.2
329.11642	2.9
331.86856	0.9
342.08801	1.1
343.09729	2.3
344.14096	1.8
356.10309	1.0
357.11270	1.7
358.11777	1.8
361.10657	1.9
362.11328	1.7
372.13568	19.3
376.12961	4.8
377.13840	1.9
386.15228	6.3
387.15921	16.5
388.16745	3.6
390.14426	2.4
405.16891	2.4
406.17636	1.5
419.18887	1.8
432.15692	1.3
434.13333	2.6
448.15219	1.4
449.15933	18.2
450.16516	2.9
464.18292	4.4
478.19864	48.4
479.20206	1.3
537.25208	1.5
552.83862	0.9
593.88562	1.2
599.25183	100.0
600.25476	3.1
626.33545	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	663.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36961	0.5
59.01235	1.0
69.03302	1.0
73.45604	0.7
81.03308	1.5
83.01244	3.7
83.53746	0.6
83.82706	0.6
89.51082	0.7
91.72801	0.7
93.03289	2.6
95.01243	2.2
95.04899	0.9
97.02802	3.2
107.04855	0.6
108.02045	1.6
109.02818	10.0
111.00748	0.7
111.04379	3.6
120.02017	0.8
121.02803	3.7
123.00737	5.9
123.04377	1.6
124.01504	4.7
124.12553	0.6
125.01436	1.3
125.02313	18.7
133.06438	0.8
135.04424	1.3
137.02319	24.6
138.03104	29.7
138.07428	0.7
139.03883	7.3
149.02359	1.0
150.03088	0.6
151.03897	1.8
159.04398	2.5
161.02338	3.0
162.03160	0.9
163.00201	1.2
163.03821	0.8
164.01062	11.3
165.01837	34.3
166.02432	1.9
167.03409	4.7
170.02110	3.4
173.06030	1.1
174.03227	0.7
175.03925	4.1
177.01857	6.0
177.05408	4.7
178.02658	0.9
179.03452	6.6
181.04942	1.3
189.05437	1.5
191.07040	1.0
193.04959	1.8
199.03964	1.5
200.04607	0.9
201.05602	2.0
203.03452	3.5
204.04297	0.8
205.05005	0.7
213.05495	0.9
217.04999	2.7
218.05724	2.1
219.06580	5.1
221.04503	9.8
227.03435	0.9
230.05988	0.7
233.08197	0.7
237.07661	0.8
239.82971	0.7
240.56738	0.7
245.04527	1.9
247.02501	0.8
253.01495	3.0
259.05957	1.0
260.06946	2.2
261.07526	0.9
263.05621	4.2
267.06702	0.7
280.07437	1.2
283.09778	0.8
295.09839	0.9
304.05777	1.4
305.06549	3.4
311.09290	0.9
312.09949	1.5
319.09406	0.9
327.12170	1.1
340.09689	1.1
390.50198	0.8
466.76251	1.0
483.16907	1.3
495.16641	3.3
496.16882	1.4
523.16199	3.7
525.17725	1.2
537.17609	1.9
619.21729	4.0
648.96289	0.9
663.20905	100.0
664.21411	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	663.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04932	1.0
59.00052	1.6
59.01242	100.0
59.10039	0.9
61.98692	5.6
75.00723	1.8
76.48358	1.1
95.53285	1.1
109.02787	1.6
116.92669	1.5
147.04413	4.0
154.53584	1.3
179.03363	6.6
213.09837	1.4
213.27937	1.4
229.12379	3.6
231.31737	1.5
245.11829	5.9
298.89725	1.6
375.49088	1.2
426.79410	1.3
537.24176	1.3
593.62677	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87995	0.8
59.00968	1.7
59.01242	19.7
61.35890	0.9
61.98706	1.0
64.08300	0.9
69.03299	1.9
71.01238	12.7
73.02810	2.0
76.68163	0.9
80.62489	1.0
84.33691	0.8
85.02802	3.3
87.00722	3.7
89.02291	12.8
97.02795	2.7
101.02296	11.3
103.01834	1.1
103.29751	1.0
106.47218	1.0
110.73394	1.0
112.67306	0.9
113.02318	6.0
119.03362	4.5
125.01395	1.1
125.02326	3.1
143.03394	1.2
145.10098	1.0
151.11182	2.0
161.04431	2.5
166.28493	1.0
167.10675	17.4
169.12242	2.6
177.09099	1.5
179.05519	3.0
195.10220	4.1
203.17996	1.9
221.06741	1.3
235.08257	4.5
247.16986	8.0
253.09232	1.3
265.18094	100.0
266.18332	2.5
397.13516	30.5
397.18604	2.1
415.14551	29.2
416.15289	1.3
536.59784	1.4
604.80902	1.2
631.30371	1.7
663.37671	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	663.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	84.7
61.98676	4.5
62.20050	2.2
62.52217	2.3
71.01239	35.5
73.02789	2.6
82.03085	2.3
85.02805	6.0
87.00738	8.8
89.02294	45.1
99.00711	2.5
99.58435	2.3
101.02287	18.4
109.02809	3.3
113.02316	16.1
119.03381	19.2
121.02833	6.6
122.03598	8.9
123.04362	3.5
123.08013	4.0
132.30318	2.8
134.30222	2.4
137.02341	3.2
143.03354	4.1
154.41232	2.7
161.04459	10.7
162.89865	2.6
176.04700	5.9
179.05530	14.7
194.49129	2.6
245.11884	15.3
253.81808	2.7
261.11304	4.4
279.23294	100.0
323.09811	16.9
335.07965	2.7
340.09396	4.4
341.10779	66.6
387.01529	3.7
437.90302	2.9
585.21307	3.5
603.34247	14.4
620.73468	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	665.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46900	1.5
57.03325	4.3
58.71671	1.6
59.01242	10.1
67.02081	1.6
71.01232	3.9
73.02798	12.4
77.86689	1.6
83.01241	3.5
85.02821	2.1
87.00741	2.6
89.02302	4.7
91.73472	3.6
95.01247	2.1
97.02840	1.9
101.02305	4.9
109.02824	8.8
111.00742	6.8
111.04380	5.5
116.93729	2.0
121.02785	2.2
121.06452	2.8
123.00791	4.6
125.02316	53.8
125.03247	2.8
132.59195	2.3
135.61197	1.9
137.02350	20.0
138.03108	80.1
138.92490	1.9
139.03891	70.6
151.03928	2.8
152.70259	2.6
153.05457	81.5
161.04405	9.8
164.01094	5.0
165.01839	14.0
167.03400	14.2
170.02229	2.1
175.03799	1.9
177.05518	3.5
179.03430	9.5
195.37386	2.1
219.06592	10.9
221.04587	4.8
249.17992	2.1
283.08224	29.5
305.06708	77.7
305.12173	3.1
306.07236	3.2
315.10892	100.0
316.11343	3.1
317.83926	2.3
359.09927	16.0
423.29929	2.5
449.10284	2.3
531.98047	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12746	0.5
57.03306	1.7
57.40020	0.7
71.74429	0.5
81.03307	1.2
83.01231	2.1
93.03313	1.7
95.01233	1.2
95.04890	1.7
97.02809	2.4
99.04364	0.6
107.04887	1.0
108.02033	2.1
109.02820	6.3
111.04382	2.9
118.91210	0.6
119.04947	0.7
121.02834	1.5
123.00780	3.4
123.04395	2.2
124.01552	1.4
125.02314	41.9
132.90213	0.6
134.03542	1.4
135.04398	33.2
137.02321	16.8
137.98096	0.6
138.03116	2.6
139.03891	11.4
146.39627	0.6
147.04439	1.7
149.02278	1.1
149.05997	1.8
151.03894	2.8
159.04457	1.6
161.02348	2.0
162.03120	1.1
163.03871	2.2
164.01024	4.5
165.01830	13.8
165.05403	1.1
166.02606	1.0
167.03394	13.8
173.06013	1.0
175.03925	3.3
176.04608	0.8
177.01830	4.2
177.05432	3.9
179.03412	34.0
182.80588	0.6
189.05510	0.7
191.03413	1.2
191.07083	1.4
201.05435	1.5
203.03371	3.5
204.04218	2.9
205.05042	1.2
217.04999	4.1
218.05893	0.9
219.06581	11.2
221.04498	8.1
227.03421	1.1
243.03015	0.6
243.06586	1.2
247.02180	0.9
261.07584	3.3
263.05560	0.8
287.05978	0.8
305.06683	100.0
306.07001	2.4
318.33356	0.7
331.08368	3.1
343.08264	6.9
361.09119	0.7
377.10385	1.0
421.09286	1.3
441.15845	0.7
485.14566	16.7
509.07147	1.0
652.88336	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38460	0.3
58.38714	0.3
65.03812	0.4
71.09302	0.4
73.94567	0.2
81.03316	0.3
83.04855	0.5
91.73345	0.4
93.02762	0.3
93.03313	3.8
95.04855	0.3
106.04102	12.7
106.06873	0.3
107.01790	0.3
107.04885	21.7
107.07671	0.3
108.02035	1.3
108.05244	0.2
109.02813	0.5
111.04401	0.3
121.02824	2.9
138.03093	0.7
171.08064	0.7
199.04849	0.2
211.07526	0.4
213.09151	37.1
214.09528	0.7
217.16023	0.2
256.96448	0.7
257.08179	100.0
258.08530	2.1
271.39349	0.2
307.56128	0.2
351.14380	0.5
468.18033	0.3
568.92090	0.2
580.07159	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03708	0.8
61.41572	1.0
63.29528	0.9
65.94828	0.9
79.77876	1.1
92.02526	1.1
95.42139	1.0
106.04092	5.7
108.02045	1.5
119.04908	8.4
121.02822	10.1
133.06512	2.1
275.23822	89.9
301.25378	99.2
302.25854	1.8
319.08185	1.7
319.22803	82.7
320.23224	2.1
345.24371	100.0
346.24954	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67681	0.5
56.97872	0.6
58.02831	2.1
65.51889	0.6
71.64697	0.5
74.02322	4.1
78.18412	0.6
79.36336	1.4
79.36749	0.8
80.03636	0.6
82.02807	0.8
86.02323	2.2
87.05501	1.1
87.73906	0.6
92.67294	0.7
96.00247	0.7
96.00960	0.9
96.01505	0.8
97.01012	1.4
99.05503	5.1
109.01032	0.9
109.02795	2.4
112.03806	0.6
121.02840	1.4
122.98984	1.1
123.99735	2.7
125.00542	3.5
128.03403	16.5
134.03586	2.0
135.05496	1.0
137.00548	2.5
138.01332	0.7
139.99246	3.6
141.11029	0.7
143.03374	1.4
143.04494	21.7
145.06079	1.1
146.04451	2.5
151.02153	0.7
151.99237	1.3
153.00056	9.0
154.00841	3.3
166.00749	1.1
166.09799	0.6
167.01613	1.3
167.04543	0.8
167.98753	1.5
175.42543	0.6
179.04480	3.8
184.10936	0.7
185.05542	1.0
210.08867	4.1
228.10016	0.8
254.07822	9.4
261.13721	0.6
272.08896	55.5
306.07666	2.8
315.23294	3.7
319.20825	0.7
331.20917	3.8
341.20920	0.7
347.20483	9.0
349.22113	18.9
375.20001	100.0
376.20444	2.5
393.21094	48.9
394.21616	1.6
420.69174	0.7
622.31757	2.7
666.30573	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	666.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74035	0.4
53.18349	0.4
55.03947	0.3
55.61472	0.8
55.61755	0.3
57.01217	0.4
58.02840	1.4
61.98704	0.6
66.07754	0.4
74.02329	3.6
76.76254	0.4
86.02337	1.7
87.05505	0.9
92.55766	1.0
92.56317	0.9
97.03941	0.4
99.05502	3.7
99.80873	0.4
101.07090	0.5
102.05460	0.7
109.03973	0.5
119.63659	0.4
121.02824	2.2
128.02449	0.6
128.03407	11.7
134.03607	1.1
134.42844	0.5
135.05528	0.6
138.98488	1.6
139.99246	3.7
143.04510	16.5
146.04518	1.9
153.00053	13.5
153.06526	0.9
153.95720	0.5
154.00841	34.8
158.33876	0.4
166.09760	0.5
167.01620	3.4
167.04559	0.5
179.04523	3.2
183.98300	0.7
185.05637	0.5
192.07838	0.5
197.05829	0.6
209.06389	0.8
210.08765	2.9
223.07932	0.5
223.96950	0.4
224.08827	0.8
251.11113	0.6
254.07817	6.4
272.08914	25.9
306.07605	3.5
312.20618	0.5
312.24118	0.5
315.23276	1.0
347.20410	0.9
349.22098	100.0
350.22504	1.0
371.06653	0.5
375.20096	0.6
393.21106	68.8
394.21509	1.1
537.26483	0.8
622.32007	2.7
666.30762	26.7
667.31238	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35212	0.5
59.01243	2.0
61.98694	1.6
63.54594	0.5
63.66899	0.6
73.63510	0.9
91.73323	0.9
96.95874	8.3
109.02797	5.6
117.03300	1.0
121.02847	0.8
125.02255	0.7
133.02872	1.7
135.04436	1.0
145.02831	4.1
146.03607	3.1
147.04387	9.4
154.48718	0.6
156.88620	0.8
159.04366	1.4
161.02246	0.8
163.03902	1.8
165.05516	0.7
165.07001	0.8
171.04555	0.9
173.02342	1.5
174.03117	1.1
177.01796	0.8
179.03383	0.8
181.06465	1.6
193.04965	1.1
195.04404	0.8
195.06573	1.9
197.06078	1.1
198.06775	1.1
208.05260	1.8
209.06041	7.2
211.04092	1.0
219.04497	2.1
220.43916	0.8
221.06007	0.7
224.04761	0.8
225.05528	1.9
226.06322	1.2
235.04042	1.4
236.04872	1.7
237.05563	14.0
247.04097	1.0
248.04729	1.1
249.05559	0.9
250.06213	1.0
252.04016	0.7
253.05077	8.3
263.03494	2.6
264.04279	1.3
265.05063	9.3
266.05817	2.3
267.06570	3.5
269.08148	3.0
279.53021	0.7
281.04550	28.7
282.05185	2.3
291.03088	1.1
309.04062	100.0
310.04773	25.0
311.05597	9.7
313.07031	1.7
439.31500	0.7
445.15219	1.5
506.29230	0.8
529.59113	0.7
598.03839	0.8
667.23694	2.7
692.23291	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38039	0.7
59.01249	7.0
71.01234	4.6
81.66989	0.7
89.02295	8.7
93.03319	0.8
101.02322	3.5
113.02318	2.5
119.03428	3.0
119.04895	83.4
128.03409	1.3
135.04417	3.1
161.04529	0.8
162.98068	1.2
163.03909	100.0
164.04202	1.1
179.03445	1.7
179.05544	1.9
181.04836	0.8
243.17039	1.2
325.09314	21.1
341.11078	15.3
388.23505	0.9
667.20630	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76663	1.0
58.54830	1.1
59.01237	8.3
61.98693	52.6
77.81064	1.3
93.03316	2.7
103.79536	1.1
107.04882	2.4
108.02029	2.5
109.02809	3.7
115.81034	1.1
116.25352	1.1
119.04919	2.2
121.02823	6.2
123.04368	3.6
124.01493	2.0
134.03627	5.0
135.04405	8.8
137.02341	2.9
145.02748	2.0
146.03632	3.6
147.04359	2.9
148.01570	1.6
149.02333	12.9
150.03119	26.3
151.03920	5.8
152.01030	7.3
153.01872	3.0
157.08453	1.4
159.04420	7.6
161.02357	4.0
161.05920	1.5
162.03130	21.6
163.03911	16.6
164.04704	1.9
165.01880	1.3
165.05467	9.5
167.03403	2.9
169.04900	2.6
173.02371	3.1
175.00284	1.5
175.03986	3.0
176.01085	8.9
177.01863	2.0
177.05482	5.4
179.03427	4.4
179.59036	1.2
180.04189	56.7
181.05005	1.6
190.02765	2.0
191.03499	7.7
193.01370	4.9
193.05046	3.2
194.02136	15.6
195.06554	100.0
203.03500	4.5
207.02890	4.3
208.03740	6.8
209.04498	42.2
209.08002	2.2
229.01447	1.5
233.11928	3.0
245.11681	1.5
248.05072	1.3
265.05185	3.0
266.05872	6.2
267.06796	2.6
268.07196	1.7
281.08325	2.0
283.09695	1.4
294.05435	3.6
309.07602	8.6
313.23907	7.0
314.38351	1.5
353.06790	4.1
394.06122	1.4
405.57599	1.3
416.44287	1.4
472.17325	22.7
473.18207	35.9
481.25909	3.2
499.26981	6.4
542.28711	1.3
545.27545	5.5
623.32343	19.1
667.31952	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	667.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97110	0.4
53.62424	0.5
55.91964	0.5
57.03322	1.7
59.00138	1.5
59.01241	100.0
59.02496	1.8
61.98699	0.9
68.99028	0.5
69.03301	0.8
71.01236	4.2
71.80821	0.5
73.02818	2.0
73.73462	0.5
77.84697	0.6
81.85001	0.6
83.01252	2.1
83.04888	0.9
85.02820	1.9
91.72691	1.0
95.01256	1.3
95.04878	0.9
96.95886	1.5
97.02859	0.8
97.06441	0.8
101.02294	3.0
105.06985	1.3
109.06440	0.6
113.02337	1.4
117.25105	0.6
145.02847	1.1
175.92952	2.2
201.12784	0.7
229.16071	0.7
243.17566	1.2
269.19238	2.6
269.59338	0.6
271.20670	6.2
287.20123	4.0
299.57828	0.7
315.19662	19.3
315.23154	1.0
333.20718	72.4
364.31888	0.7
375.21854	2.2
385.26105	1.6
387.24313	1.3
405.25272	0.9
417.23254	0.7
418.82407	0.7
420.50873	0.7
429.24789	4.1
447.26315	1.2
471.25952	6.8
489.26999	2.8
513.26953	11.7
531.28156	5.5
537.60095	0.7
549.28986	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	669.147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53865	0.7
57.03327	0.9
59.01280	0.8
65.21998	0.7
67.01734	0.8
71.01238	0.8
73.02820	1.3
78.95749	0.7
78.97693	0.8
83.04887	1.1
91.47876	0.8
93.03319	9.4
96.95872	15.9
101.51374	1.2
101.51914	0.9
109.02862	3.5
111.04413	2.6
117.03362	0.7
119.04924	1.4
121.02818	31.5
125.02358	2.1
133.02899	1.3
135.04396	3.7
137.02367	3.5
145.02924	2.4
147.04404	7.7
154.54312	0.8
155.03421	1.1
159.04442	1.8
160.01582	1.6
161.02335	4.0
165.05559	1.2
167.08571	1.1
169.06566	1.2
173.02345	10.8
173.04503	0.9
174.03050	1.0
175.03951	0.8
179.03526	1.5
183.08220	1.0
193.06647	1.2
195.08119	5.5
206.07368	1.3
209.06233	1.0
211.07513	4.5
221.06015	6.1
222.06688	3.8
223.07660	7.8
224.04825	2.0
225.05580	1.7
237.05635	3.1
238.06340	1.4
239.07080	8.9
249.05664	5.4
250.06523	2.7
251.07146	11.6
251.09695	1.0
252.04335	1.2
253.05150	1.0
254.05888	1.4
265.05237	2.6
266.05984	3.3
267.06635	20.7
268.07773	1.4
269.08212	27.2
277.05060	6.7
293.04694	3.2
295.06125	53.2
296.06433	1.7
311.05722	5.1
313.07211	8.5
315.08875	1.2
321.04013	7.9
339.05112	100.0
340.05429	2.6
345.13620	1.5
357.56699	0.8
469.11395	37.0
470.12070	1.5
495.09354	70.6
496.09833	2.7
512.09644	1.0
513.10498	2.8
530.06647	0.9
669.15485	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	669.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03829	3.7
58.54158	3.8
59.01227	7.3
82.27817	4.7
115.57780	4.3
121.02824	5.1
136.01491	5.2
138.00880	4.6
162.03181	6.9
164.04816	4.4
177.01791	6.2
178.02679	11.0
179.03325	5.0
179.07104	7.0
180.04192	7.0
193.04988	15.8
195.06555	11.2
204.35443	4.9
256.03772	11.7
269.04425	9.2
270.01712	10.5
270.05139	5.5
271.02530	13.5
281.04602	5.5
285.04083	17.7
295.06342	7.1
297.04004	12.6
311.05713	13.7
335.81650	5.2
609.14404	15.7
614.98016	5.1
624.16956	8.3
636.16541	6.6
639.18799	100.0
651.18884	53.7
669.19897	79.9
670.19489	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	669.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57299	13.3
59.01235	35.3
61.98700	100.0
66.36986	15.5
73.03477	16.7
76.86134	14.5
109.02795	20.2
121.02867	28.0
122.58928	18.1
124.01547	17.9
131.49515	16.8
139.03920	19.7
140.82312	18.2
142.87288	17.2
150.03122	28.9
152.01059	25.5
153.01859	24.3
162.03087	30.3
167.03328	22.3
177.01834	35.3
178.02693	58.3
179.03355	29.6
179.07120	19.0
180.04219	52.2
183.06564	49.9
192.04243	42.2
193.05016	82.7
194.05576	22.9
195.06593	87.1
238.47032	16.5
244.76694	17.4
245.95850	18.6
284.13513	20.4
325.10397	23.0
547.48730	20.0
625.39520	23.5
680.08618	24.6
695.85492	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35089	0.6
59.01241	1.0
71.01250	0.9
82.02865	3.4
96.04443	0.7
96.95870	1.1
102.98106	0.8
108.04435	1.0
112.03931	1.6
113.47810	0.7
120.04453	2.3
121.03937	1.2
127.56889	0.7
129.05469	1.0
135.66928	1.0
136.07553	5.1
138.05644	1.2
139.02652	1.1
146.02470	0.9
147.03188	1.5
148.03934	16.7
149.04712	8.6
150.05495	22.7
154.05022	3.1
160.03979	1.9
161.04715	8.2
161.05756	0.9
161.07211	1.1
162.05515	2.8
163.02715	1.5
164.03448	6.2
166.08682	2.4
173.03452	9.6
173.04723	1.5
173.07138	0.9
174.04251	24.7
174.22977	0.7
175.02521	1.7
175.05058	9.7
175.06375	5.1
177.06664	1.5
186.05582	1.3
187.06360	2.7
188.07155	2.3
189.06612	13.5
190.07393	28.0
190.09033	1.5
191.05791	1.7
191.08044	1.5
192.02960	1.1
200.07207	3.5
201.07924	3.2
202.07152	5.1
202.09029	1.6
203.06003	1.1
203.08298	2.1
213.06674	1.3
213.10349	1.8
214.11128	2.8
215.08189	5.4
216.06732	1.3
217.07494	2.8
217.09880	3.7
227.09644	1.1
228.06665	1.8
229.07414	1.0
231.07718	24.5
232.08495	39.2
233.09291	9.0
239.08592	0.9
241.09991	1.8
242.08296	4.2
242.10483	1.7
243.07861	5.1
244.08601	8.0
244.09908	3.5
245.06944	1.9
245.09438	5.9
246.07706	1.9
259.10983	3.0
261.08795	1.2
262.09726	3.0
263.10373	1.0
267.07843	1.6
268.08511	1.7
285.08917	3.8
286.06970	1.3
286.09665	9.5
287.10471	2.5
289.09500	1.3
303.10034	2.5
304.10730	3.2
313.12094	0.9
315.13507	12.0
337.10651	1.8
340.13025	5.8
356.16599	0.8
369.14594	1.8
398.17181	18.5
407.15302	0.9
409.17886	2.3
410.17255	5.0
424.37964	0.8
428.18317	2.2
434.17206	1.4
452.18265	8.8
453.16617	4.3
467.16833	4.1
470.19333	77.6
471.19785	2.6
503.20300	1.3
561.23584	5.2
564.12378	0.8
593.15100	1.0
615.24615	7.1
633.25696	100.0
634.26031	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	669.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62574	0.6
51.21403	0.6
51.83556	0.6
52.82410	0.7
56.86238	0.7
59.01236	3.1
62.48268	0.7
72.99184	0.7
74.90936	0.9
82.02824	5.5
91.73174	1.5
110.06030	1.1
112.03901	1.6
120.04423	3.1
122.05996	1.6
129.05463	1.3
132.14108	0.9
135.03140	1.0
135.66022	0.9
135.66905	0.9
136.07527	4.6
139.02687	1.1
148.03922	20.6
149.04706	7.7
150.05493	22.6
150.66090	1.0
154.04985	2.3
154.14197	0.8
160.03932	1.5
161.04726	8.8
162.05453	1.8
163.02655	2.0
164.03427	7.1
166.08603	2.0
173.03445	10.9
173.04697	1.6
174.04257	25.1
174.05536	1.5
175.05034	8.6
175.06348	4.1
176.05821	1.1
177.06577	1.1
186.05496	1.5
187.06314	2.9
188.07103	1.8
189.06621	14.0
190.04938	1.4
190.07394	28.4
191.08160	2.8
192.02924	1.9
200.07103	3.7
200.48398	0.9
201.07840	4.1
202.07153	5.1
202.08992	1.6
203.05948	1.0
203.08266	1.7
213.10316	1.3
214.11086	2.8
215.08199	5.0
216.06644	2.2
217.07430	3.2
217.09744	2.7
218.10448	1.2
227.09520	1.3
228.06656	2.9
230.10542	1.0
231.07715	20.5
232.08487	37.6
233.09297	5.4
241.09908	1.2
241.88123	1.0
242.08232	4.0
242.10526	1.8
243.07808	3.0
243.11285	1.0
244.08604	9.3
245.06993	1.8
245.09357	5.4
246.07718	1.1
255.07646	1.0
259.10938	1.4
261.09055	1.0
262.09576	2.8
263.10428	1.0
267.07779	2.4
268.08499	2.3
269.40256	1.0
285.08823	3.2
286.09665	8.0
287.07678	1.4
287.10501	1.4
289.09576	1.7
303.09909	2.0
304.10532	2.4
305.11237	1.2
313.11911	1.2
315.13535	11.9
334.34445	0.9
337.10794	1.0
340.12964	4.4
344.40424	0.8
356.16132	1.1
369.14490	1.1
398.17139	16.1
409.17807	2.2
410.17410	3.8
411.15768	1.2
428.18384	3.1
434.17123	1.7
452.18280	7.8
453.16711	3.5
467.16995	3.7
468.18130	1.0
470.19348	71.0
471.19711	1.9
496.16827	1.0
561.23816	4.4
591.24017	1.8
615.24481	5.5
633.25696	100.0
634.25977	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	7.5
57.93797	0.2
59.01235	0.3
61.76505	0.2
68.86340	0.2
69.03312	0.2
79.01752	0.2
81.03310	1.0
83.01237	0.9
89.20581	0.2
92.97604	0.4
93.03326	1.9
95.01269	0.4
95.04883	0.3
96.95844	0.3
97.02787	0.7
100.02817	0.3
105.03292	0.4
109.02818	3.1
109.95656	0.3
111.04403	0.3
120.02030	0.4
121.02820	4.8
123.00719	0.5
124.01519	0.5
124.98167	0.7
125.02312	100.0
125.05910	1.5
126.02634	0.8
127.03857	0.3
127.04943	0.3
129.61871	0.2
133.02803	1.0
137.02324	10.6
139.03894	0.8
149.02327	4.8
152.01016	0.4
155.03375	0.5
163.00291	1.2
164.01064	4.4
165.01831	17.5
167.03365	2.2
174.02956	0.3
175.03906	0.4
176.01099	0.3
177.01843	74.7
177.07967	0.9
178.02254	0.7
178.99811	0.3
191.03389	0.5
195.02924	0.5
196.03595	0.4
197.04485	13.1
215.03499	0.3
217.04970	0.7
219.03072	0.4
231.06651	0.4
235.06085	0.5
259.06076	1.0
275.05786	0.6
287.05402	0.3
301.03506	0.6
302.04059	0.3
303.05112	10.5
305.06653	1.3
320.86142	0.3
335.07751	10.1
363.16559	0.4
364.17035	0.4
386.54346	0.3
440.75198	0.3
449.10840	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41636	1.2
57.48361	1.2
93.03243	2.1
96.95840	2.5
108.17628	1.5
109.02826	1.9
111.86322	1.6
121.02818	2.3
129.96921	1.6
135.04424	2.5
152.01024	1.9
179.03413	3.8
180.04196	5.3
193.04913	3.0
195.06566	12.7
196.06915	2.5
227.03410	13.1
240.04274	2.6
242.02254	5.6
243.02943	3.4
243.67377	1.5
253.05200	2.3
255.03032	4.5
256.03781	10.4
256.06061	2.0
269.04556	2.7
270.02240	11.6
270.05298	17.0
271.02441	15.2
281.04849	2.2
283.06134	3.2
285.04071	23.6
293.04697	2.1
295.06046	1.8
297.04053	5.4
297.07611	3.0
298.04733	4.0
299.05533	7.1
302.04205	7.8
309.04236	2.8
309.07770	1.8
309.79486	1.7
310.04669	4.8
311.05576	15.3
313.07120	7.0
323.05624	2.1
325.07233	12.5
341.06354	2.4
355.08310	3.7
364.03659	2.0
445.12778	3.5
491.13776	2.8
535.16180	2.7
611.17810	7.3
623.15973	2.3
625.17969	2.3
626.17462	3.8
641.20386	64.0
641.31091	3.7
642.21100	2.3
653.20325	27.1
671.21423	100.0
672.22314	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	671.22
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90116	0.3
56.18348	0.4
57.02456	0.4
59.01236	0.6
64.17509	0.3
69.20506	0.4
71.01249	0.5
85.02830	0.4
89.74662	0.4
104.13951	0.9
104.14673	0.7
108.02029	0.4
109.02793	1.2
121.02805	4.0
121.52817	0.4
122.03604	10.7
123.00724	0.9
123.04405	4.6
123.16446	0.4
124.01498	2.3
125.02344	0.7
131.82440	0.4
133.04933	3.1
134.03610	4.8
135.04425	2.9
136.01538	6.5
136.05171	1.0
137.02318	6.9
139.42021	0.4
145.02802	0.5
149.05937	1.4
151.03894	2.6
152.04643	0.8
153.01828	0.6
154.02522	0.5
165.01833	2.1
165.05432	0.6
166.02620	6.3
167.03293	0.5
168.04118	0.6
177.01839	0.6
178.02644	6.2
179.03418	8.9
180.04189	2.1
181.01335	3.9
185.16203	0.5
192.04213	0.9
193.04991	7.5
193.06604	0.6
195.02927	4.1
196.03711	2.2
198.01637	5.6
207.06458	0.6
209.04475	1.6
210.05196	0.6
212.03250	1.9
228.02750	4.7
237.05565	0.5
241.05083	0.9
242.04254	1.6
242.06177	0.9
254.05878	1.4
255.06644	5.5
257.08255	1.0
258.08878	2.2
269.08179	1.4
270.08942	3.9
273.11255	3.6
282.05624	0.5
285.04462	0.6
285.07736	2.1
285.11298	2.9
298.04922	0.7
299.05658	0.7
300.06262	1.0
301.07217	1.4
302.07980	1.6
303.08887	0.8
303.12253	3.9
314.07916	1.8
315.08868	1.3
317.10303	10.6
329.10321	10.7
332.08908	0.7
347.11374	55.8
348.11697	1.7
389.12625	1.6
509.16669	100.0
510.16986	3.1
658.46021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98686	2.8
73.13763	0.8
75.00756	0.9
78.95759	2.6
80.04923	1.2
85.03927	3.6
87.05501	6.0
88.03893	0.9
88.70770	0.9
91.72787	1.2
95.04891	3.5
96.95876	3.9
97.03892	1.7
97.06433	5.8
108.26824	0.8
113.03445	2.8
115.08634	5.8
129.10254	6.5
139.08650	3.3
140.07010	5.1
141.06627	2.2
145.02861	1.1
152.99435	1.2
153.10262	1.9
155.08163	4.6
155.11800	5.3
159.06514	2.3
161.20839	1.0
165.10222	7.1
166.09816	1.3
167.08202	3.7
181.09766	2.2
182.12927	7.3
183.11320	2.3
184.10803	5.2
193.13484	1.2
194.98212	0.9
197.16519	6.7
200.13954	11.6
207.15012	1.3
211.14508	1.9
212.10443	1.1
223.14459	2.2
223.17917	0.9
226.11900	1.8
228.17172	3.3
236.17732	1.5
242.18785	1.1
242.94693	1.3
252.20891	2.0
254.18839	1.1
268.20364	6.8
278.66876	1.1
281.19839	13.3
293.21323	2.3
295.21313	2.2
297.19205	1.6
299.20984	6.1
313.22339	1.3
325.18951	2.2
350.22089	3.4
368.23062	26.9
381.28598	2.6
405.12277	1.2
407.26651	1.9
410.27701	1.4
436.28949	1.4
490.34039	1.7
533.38202	1.5
565.37061	2.2
577.37250	100.0
578.37488	5.7
611.36011	47.6
612.36218	3.1
671.36646	9.7
672.36176	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71315	0.4
61.98702	0.6
65.00191	0.9
69.47598	0.4
71.24231	0.7
71.24564	0.6
78.95741	0.6
97.52491	0.6
98.32866	0.5
103.59225	1.1
103.59935	1.1
103.79684	0.5
107.01276	2.8
108.02035	1.4
109.02831	1.3
116.57003	0.6
121.02799	1.8
130.05916	0.5
141.57309	0.5
148.01553	1.2
151.00255	11.5
158.60736	0.5
163.00275	2.3
164.01012	0.7
178.99786	5.9
187.04008	0.6
203.03487	0.5
211.03908	0.7
223.32260	0.5
226.02672	1.0
227.03458	2.8
229.04999	0.7
243.02969	9.3
244.03568	0.9
245.04622	1.2
254.02220	2.5
255.02962	24.2
256.03372	1.5
271.02490	52.4
272.03052	4.2
273.03995	0.9
283.02570	1.3
299.02097	1.1
300.02750	98.2
301.03482	35.9
302.03857	1.7
333.90140	0.5
343.04623	1.0
444.75159	0.7
483.71426	0.6
609.14642	100.0
610.15106	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	673.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71604	0.2
56.04710	0.3
56.36971	0.2
57.85963	0.3
59.01256	0.3
60.18555	0.5
60.33599	0.2
61.81018	0.3
70.58167	0.3
71.01224	0.3
74.02328	0.3
74.91459	0.2
78.01549	0.3
80.76612	0.2
84.07604	0.2
85.02811	1.0
86.94331	0.3
93.03347	0.4
96.95902	0.4
105.03334	0.6
113.02303	2.6
115.00227	0.2
117.03319	2.4
118.04105	2.4
118.48441	0.3
119.04890	53.9
119.08208	0.7
120.05225	1.1
121.02835	3.4
123.04380	1.2
124.04004	0.2
125.02319	0.8
126.36288	0.3
133.02809	1.0
134.03593	1.0
136.00108	0.3
141.03136	0.3
151.03955	0.3
159.04234	0.4
163.03906	16.5
165.05347	0.3
177.01967	0.3
180.49515	0.3
184.40477	0.3
184.94789	0.8
185.02115	100.0
185.08429	1.1
186.02412	1.6
186.56189	0.2
189.92999	0.3
203.03198	5.4
212.03294	0.5
227.03242	0.5
241.96252	0.2
255.37437	0.3
257.04324	1.0
261.44247	0.3
299.05557	1.4
325.09293	0.9
325.99991	0.3
347.07477	16.2
348.07724	0.7
359.15594	0.2
391.06650	0.4
673.17468	7.4
674.17822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	36.4
96.95866	19.6
123.04499	14.3
136.01544	19.1
137.02319	19.3
151.03883	51.1
152.01035	39.1
160.01654	11.9
162.03130	37.8
163.03923	19.0
167.03389	62.1
169.24655	10.5
176.01047	18.5
177.01866	26.7
177.05441	16.6
178.02614	78.8
179.03394	69.4
180.04196	65.5
182.42935	12.6
191.03479	27.2
192.04321	14.1
193.05006	100.0
194.05812	53.0
195.06563	100.0
197.75842	12.9
209.04440	14.1
209.66335	13.1
210.95372	13.7
226.26064	12.7
298.77695	12.3
307.56775	11.2
373.13016	34.6
387.10846	73.8
388.11591	25.2
389.12506	30.3
413.19839	26.6
429.93774	14.5
445.91199	12.5
626.36365	14.0
637.26587	95.0
675.37213	14.3
693.74304	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
61.94887	0.6
65.82368	0.8
73.49570	1.1
76.67780	0.6
83.73191	0.7
106.04105	3.1
117.09873	0.7
119.04887	6.7
121.02830	5.8
133.06453	3.5
148.94894	0.7
175.11308	0.9
175.81522	0.7
259.26776	0.9
273.22250	100.0
274.22617	3.3
316.38928	0.8
317.21213	94.3
318.21448	2.3
621.67737	0.8
673.38855	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50534	0.3
57.55094	0.2
61.97339	1.5
61.98693	100.0
61.99862	1.5
66.87187	0.3
72.38755	0.3
78.95770	0.6
80.65394	0.3
85.03929	0.3
87.05499	0.8
95.45492	0.3
113.03492	0.4
115.08653	0.9
115.72617	0.3
126.79250	0.3
129.10208	0.7
140.07048	0.6
142.04901	0.3
145.02840	0.5
146.20534	0.3
152.99510	0.3
155.11810	0.3
165.10251	0.9
167.08174	0.5
167.31075	0.3
178.95503	0.3
181.09792	0.5
182.12891	0.5
183.11360	0.4
197.16573	0.4
200.14027	1.3
268.20367	0.5
281.19888	0.9
285.24194	0.3
299.20889	0.5
312.27631	0.3
332.13165	0.3
368.23083	2.8
369.23438	0.4
457.24713	0.4
502.30154	0.3
557.69727	0.4
577.37170	9.1
578.37476	2.2
580.38110	1.1
611.36035	5.8
612.36877	0.6
614.36615	0.9
631.55414	0.4
647.75623	0.3
662.90167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14815	0.4
56.25240	0.3
56.55982	0.3
68.54744	0.4
73.90878	0.4
75.24860	0.4
80.84978	0.6
108.94208	1.0
108.94974	0.9
110.63898	0.5
111.94622	0.4
124.01579	0.9
136.01530	0.6
151.00224	2.3
152.01112	0.8
163.00284	0.6
164.01086	1.0
178.99774	2.0
203.03532	0.9
204.04272	0.5
213.01836	0.5
214.02663	2.1
215.03404	0.9
231.02888	0.8
232.03674	0.5
242.02191	2.4
243.02943	1.9
251.84074	0.5
259.02496	5.4
270.01566	3.9
271.02490	19.1
272.02844	0.6
287.01974	22.7
288.02634	1.3
301.03894	0.5
315.01486	19.5
316.02249	100.0
317.02591	1.9
330.03760	4.0
331.04623	35.6
639.15723	63.9
640.15961	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	675.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75457	0.2
54.14583	0.8
59.01241	2.1
62.81467	0.2
75.00750	0.3
77.34695	0.2
85.63410	0.2
87.00716	0.2
96.95865	0.6
99.07576	0.2
99.08016	2.2
113.02328	0.2
113.20233	0.2
115.00237	0.4
121.06459	3.2
123.08036	0.2
128.42157	0.4
161.13220	0.7
163.11192	0.7
168.01640	0.3
173.04527	0.4
175.02357	0.6
179.07886	0.9
179.14323	100.0
180.14642	0.9
191.05623	0.3
202.54926	0.3
205.12108	0.2
223.13358	24.6
248.78975	0.2
261.82681	0.3
267.12390	56.0
268.12695	0.6
315.19696	0.5
333.20682	2.6
407.28735	0.3
506.45984	0.3
675.24725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	22.8
61.98701	85.2
72.18815	13.7
77.28625	12.4
78.95811	17.1
91.32790	16.5
91.87650	14.6
110.17667	15.4
113.05975	28.5
118.84717	17.1
129.93860	15.9
152.99629	17.8
169.02902	16.1
206.10297	16.3
281.17630	50.4
285.20728	23.8
333.57901	16.9
517.26788	53.1
518.22021	20.0
619.13861	19.4
621.33356	55.9
639.34082	32.7
675.31531	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	100.0
61.98694	19.6
76.56593	8.8
78.95759	22.1
83.32279	8.3
91.73214	13.3
115.76760	8.6
128.29768	8.6
143.06982	12.8
149.48724	8.8
152.99483	23.5
169.04453	9.5
247.84296	8.9
277.21600	12.1
565.14935	13.1
675.36383	13.5
696.10730	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	675.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72758	26.5
59.01242	37.0
61.78538	29.0
78.95783	65.3
80.96392	30.1
91.73298	54.0
94.92369	66.8
112.53954	30.7
119.04908	37.5
144.09763	37.9
152.09714	34.6
155.60707	37.6
166.14049	33.1
169.11847	34.8
171.10216	100.0
182.93279	41.9
249.18622	52.3
288.61539	37.2
529.35950	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	675.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	56.3
71.01235	29.6
71.01531	2.7
73.02802	9.2
79.19965	3.2
83.01254	5.0
85.02820	7.0
87.00758	7.1
89.02296	37.6
97.02785	5.6
101.02305	23.0
113.02357	14.3
119.03407	9.9
125.02312	6.1
143.03398	6.1
161.04486	6.9
179.05508	7.2
201.81142	4.5
235.08244	12.9
273.78568	4.7
277.21735	100.0
385.27225	5.2
397.13535	91.1
415.14484	38.8
476.01788	4.2
619.12408	3.9
675.36102	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	675.36
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47637	0.4
55.01745	0.6
57.03294	1.3
58.00443	0.7
58.10604	0.3
58.99999	0.9
59.01242	52.4
64.76070	0.4
69.03300	1.9
70.99625	0.5
71.01238	34.9
72.99158	1.7
73.02448	0.7
73.02802	7.2
75.00716	1.0
78.95737	0.5
81.03291	1.9
82.28282	0.7
82.28707	0.7
83.01237	5.5
84.65591	0.4
85.02801	7.6
85.99950	0.8
87.00727	7.7
89.02296	37.8
91.03844	0.8
91.72710	0.9
95.01234	2.2
97.02806	7.3
99.00743	2.3
101.02299	33.1
109.02808	1.1
111.00697	0.5
111.04402	1.0
113.02306	16.4
115.03875	1.0
119.03364	10.7
124.01537	0.9
125.02316	12.8
131.03343	1.4
133.04951	1.3
139.03917	1.0
141.01772	0.8
142.15166	0.4
143.02342	0.7
143.03378	5.5
149.04395	1.2
152.88910	0.5
156.26750	0.7
161.04462	7.7
169.35049	0.4
169.39899	0.4
179.05542	7.5
185.04367	1.0
203.41225	0.7
217.07085	1.0
221.06601	2.5
235.08189	15.0
245.06613	0.9
253.09309	2.9
263.07684	1.7
277.09180	2.1
277.21735	100.0
278.22031	3.6
287.07819	2.7
305.08853	3.7
323.09973	1.6
325.02777	0.5
378.86108	0.6
379.12466	0.6
397.13535	79.7
398.14014	1.8
415.14600	35.8
416.14468	0.7
474.10324	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03295	0.7
58.00446	1.2
59.01242	25.5
65.03814	0.7
69.03312	0.9
71.01238	24.3
72.99152	1.4
73.02799	13.8
73.23901	0.5
75.00712	0.6
79.19418	0.5
79.55648	0.5
81.03312	1.5
83.01240	1.9
83.04884	4.5
85.02799	5.6
87.00727	6.8
89.02296	36.3
89.04369	0.7
93.03312	28.5
95.01256	1.2
96.96804	0.7
97.02793	0.9
99.00737	3.5
99.04369	3.2
101.01642	1.3
101.02299	21.3
111.00725	1.0
111.04382	12.0
113.02309	14.8
119.03354	6.7
125.02339	1.5
129.01811	2.2
131.03371	2.3
134.86897	0.6
135.04434	0.6
137.02322	15.3
142.99757	0.6
143.03352	4.3
149.04420	1.0
155.03401	9.1
155.83226	0.6
161.04477	6.9
173.00841	4.5
173.04457	28.3
179.03944	1.3
179.05516	26.0
187.06786	0.6
191.05563	0.8
221.06618	18.6
281.08728	1.4
291.15656	0.6
293.97339	0.6
323.09827	3.2
335.09995	8.0
335.13681	1.6
341.10962	6.1
374.23691	0.6
383.11911	1.5
503.16208	100.0
504.16739	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	677.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81032	1.4
53.84803	1.3
58.02835	3.8
59.01228	6.9
65.35059	1.4
71.01228	3.5
72.04375	1.6
73.02825	1.8
82.02827	2.3
83.01230	3.1
84.04404	4.0
85.02805	1.6
87.05487	3.5
88.03910	12.1
89.02300	2.5
91.72700	4.1
96.04432	1.7
96.95895	2.2
96.97839	1.6
98.02339	2.8
98.05953	2.3
99.00702	2.2
100.03900	25.5
101.02291	3.8
102.05453	18.9
109.02828	2.2
112.03889	4.8
113.07135	1.7
114.05494	2.0
116.07027	5.9
124.03929	17.7
125.02305	4.2
128.03412	55.9
129.10210	13.6
140.03441	2.0
142.04958	11.0
146.04477	11.4
154.04987	2.5
160.06024	12.5
165.05403	2.2
167.03358	2.3
177.01851	2.7
184.06049	2.9
202.07121	8.4
245.11470	7.4
345.13220	8.3
405.15131	5.5
422.38821	1.9
429.29144	2.0
548.21033	67.7
549.21368	3.0
638.24152	2.0
648.47278	2.0
677.25287	100.0
678.25562	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	677.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22718	0.9
59.00051	2.1
59.01243	100.0
59.02541	1.1
66.27641	1.3
70.55733	1.0
78.95759	11.9
86.30540	1.2
96.96816	1.8
105.37393	1.2
132.56415	1.2
134.46146	1.1
137.86516	1.3
152.99489	14.6
164.42477	1.3
177.01837	2.0
178.02679	3.5
180.04233	1.7
192.04262	3.3
193.05049	6.0
195.06613	2.4
210.07985	1.4
212.70340	1.3
240.61769	1.2
240.96976	1.2
241.01202	5.1
279.23337	15.6
315.04996	1.9
325.14343	1.2
368.48853	1.3
388.57950	1.6
425.19556	2.8
595.28986	22.6
617.23456	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	677.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12988	0.8
70.04513	0.9
80.04916	0.8
84.08051	1.4
85.03922	2.9
87.05497	5.6
90.49369	0.9
94.30499	0.9
96.95857	1.6
97.03870	0.9
111.01887	1.1
113.02605	0.8
113.03397	3.9
113.24142	1.0
115.08609	5.9
122.04695	0.9
125.07101	1.1
129.10213	3.9
139.08638	1.4
140.07048	4.4
141.06537	1.1
153.10190	1.4
155.08144	3.7
155.11761	4.1
165.10222	7.4
167.08173	5.1
169.09758	1.4
181.09813	1.7
182.12885	7.9
183.11325	4.2
183.14970	1.1
184.10835	4.7
185.96382	0.9
197.16550	5.7
200.13986	11.0
207.15031	1.0
211.14459	2.7
223.14470	1.8
224.17526	1.1
226.11969	1.6
228.17184	2.7
234.54997	0.9
236.17789	1.3
242.18726	0.9
252.20796	1.9
254.14923	1.0
268.20340	5.7
276.87219	0.9
280.16913	0.9
281.19778	10.2
295.21323	1.7
299.20816	5.3
306.16669	0.9
313.22610	1.2
325.18933	2.8
327.20563	1.3
339.24051	1.2
341.09845	1.1
350.21756	2.6
367.27338	1.7
368.23050	24.3
381.28757	1.2
407.26694	2.9
410.27985	1.1
533.38379	1.1
577.37231	100.0
578.37610	4.4
641.37067	25.8
642.35742	1.1
677.35004	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70737	1.8
59.01234	4.8
59.23769	1.6
62.69632	1.6
66.49477	1.8
81.88223	2.3
87.05496	5.3
95.94335	2.4
96.95833	2.5
98.70487	2.5
105.52722	2.5
109.24663	2.5
113.03416	2.6
115.08626	4.6
121.30367	2.3
125.02338	2.3
129.10205	3.8
139.08673	2.3
140.07065	3.0
141.36543	2.2
155.08125	5.0
155.11763	5.4
165.10213	6.0
167.08191	4.9
177.01910	2.9
179.03516	2.2
182.12865	5.1
184.10887	4.6
195.06584	3.0
197.16466	4.3
200.13947	11.4
226.11833	2.7
228.17242	3.8
268.20334	7.6
281.19891	11.0
299.20721	4.7
325.18600	2.9
341.10287	3.1
368.23035	22.5
407.26840	2.7
577.27954	4.8
577.37207	100.0
578.37317	8.0
620.26953	2.8
638.85797	2.5
641.16260	4.6
641.37152	26.3
677.34399	3.1
690.90662	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	677.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72895	1.2
54.13297	1.4
54.40671	1.3
59.01242	37.4
59.01517	2.5
71.01244	28.2
73.02820	5.4
78.95779	2.4
81.03338	2.1
83.01259	2.1
85.02818	6.6
87.00761	5.2
89.02295	27.7
89.02755	2.3
97.02837	3.9
101.02296	26.6
101.02851	2.0
109.02854	1.7
113.02306	13.0
119.03374	9.6
125.02314	11.1
143.03445	6.7
161.04362	3.4
179.05597	3.1
235.08194	9.9
253.09181	2.2
279.23303	100.0
280.23749	2.7
287.07773	2.7
305.08875	3.1
323.71408	1.7
397.13553	64.8
415.14523	25.4
595.28601	3.6
601.84204	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	677.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13795	0.4
55.01743	0.7
56.70114	0.5
57.03291	1.3
58.00457	0.4
59.00065	1.2
59.01242	49.2
59.02514	0.7
69.03293	1.9
71.01239	29.2
72.99141	1.7
73.02458	0.4
73.02805	5.7
73.64637	0.4
75.00710	0.8
78.95754	0.8
81.03282	1.7
82.60764	1.1
82.61214	0.9
83.01244	3.8
85.02379	0.4
85.02809	5.3
87.00291	0.5
87.00729	6.5
88.98667	0.5
89.02298	27.9
91.03838	1.0
91.49274	0.4
91.72653	0.9
95.01213	1.7
97.02243	0.5
97.02808	5.8
99.00714	1.7
100.15826	0.5
100.64699	0.6
101.02305	26.0
109.02818	0.9
111.04346	0.8
113.01588	0.7
113.02312	11.1
119.03371	9.7
121.02840	0.5
124.01503	0.7
125.01466	0.6
125.02318	10.1
131.03358	1.5
133.04944	1.2
135.65384	0.5
139.03896	1.1
141.01839	0.5
143.03404	4.4
149.04457	0.7
152.99431	1.3
161.04442	5.8
167.03265	0.5
177.01845	0.6
179.05530	5.4
185.04486	0.8
195.47485	0.5
202.15788	0.7
217.07048	0.7
221.06631	1.7
235.08200	11.5
245.06636	0.5
251.67844	0.6
253.09258	3.0
253.38643	0.5
263.07660	1.2
277.09299	1.2
279.23297	100.0
280.23624	2.5
287.07816	2.5
305.08707	2.7
323.09869	1.7
361.11288	0.7
379.12436	0.7
397.13538	70.9
398.13812	1.1
400.83978	0.5
415.14597	29.2
595.29193	1.5
677.37213	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96582	0.5
58.87022	0.5
60.17697	0.6
62.68423	0.6
74.00165	1.2
74.66036	0.6
80.65860	0.6
87.47307	0.6
87.73368	0.6
92.02551	1.0
97.89687	0.7
99.38277	0.6
106.04092	3.3
107.04884	0.8
108.02062	0.8
119.04902	1.7
121.02834	5.8
151.08585	0.6
275.23825	100.0
276.24066	4.7
291.23239	1.5
319.22794	76.1
320.23065	3.6
335.22519	1.3
373.93002	0.7
403.74448	0.7
677.43536	1.3
679.94232	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43240	0.4
59.01233	1.3
63.02247	0.7
63.28540	0.7
65.00188	0.5
67.23558	1.0
67.23869	0.6
73.02792	0.9
75.63572	0.4
77.69827	0.4
78.70004	0.5
80.78326	0.4
81.03297	0.9
83.01230	1.0
83.04870	2.2
88.91977	0.5
89.02315	0.5
91.72649	0.7
96.23988	0.4
98.08867	0.4
99.55032	0.4
99.77675	0.5
100.12361	0.5
101.02307	0.5
101.99773	1.1
102.00465	1.1
105.50543	0.5
107.01241	1.9
109.02780	0.5
114.81261	0.5
120.02090	0.5
127.34763	0.6
128.03331	0.6
132.02087	0.7
135.00803	1.0
147.72269	0.6
151.00269	3.5
163.00224	1.3
165.99622	0.5
169.01421	0.7
171.99847	0.6
173.04503	1.0
183.04512	0.8
187.03874	1.0
209.56390	0.6
211.03940	1.6
225.15878	0.9
226.16344	0.8
227.03452	39.2
228.04001	1.4
229.05057	3.3
239.03555	0.8
255.02974	72.6
255.13658	1.0
256.03598	5.0
257.04575	2.1
281.04370	0.6
283.02524	3.1
284.03262	100.0
285.04044	20.9
286.04123	0.7
309.04272	0.7
413.08777	1.9
514.98718	0.6
575.14307	1.1
593.15002	5.9
635.16205	79.2
636.16486	4.5
678.50104	7.5
679.50525	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31006	0.8
57.03299	2.2
59.01237	3.1
71.01254	2.4
81.03321	1.1
81.06953	1.4
83.01255	2.4
89.02302	2.5
95.01233	1.1
95.04875	1.8
96.95891	2.0
97.02807	2.9
101.02285	1.3
108.95815	1.1
109.02811	9.8
111.04389	4.2
111.48015	0.9
113.02370	1.0
119.03409	1.3
123.00758	2.8
124.01534	3.8
124.52053	1.3
125.02312	58.5
125.36887	0.9
126.02620	1.3
135.04364	1.2
137.02327	19.1
138.03072	1.2
139.03902	11.6
149.05954	2.0
151.03877	1.6
161.02374	2.1
164.01114	5.9
165.01830	15.1
166.02597	3.1
167.03403	15.6
173.05969	1.3
175.03937	2.3
175.07668	1.5
177.01830	1.6
177.05470	4.3
179.03407	13.8
201.05522	2.1
203.03500	1.5
204.04172	2.4
217.08803	1.1
219.06563	10.8
221.04593	4.8
261.07678	4.0
288.60098	1.2
297.37692	1.2
305.06693	100.0
305.11929	11.7
306.07050	3.0
373.27432	1.5
445.00403	1.1
531.48853	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99940	1.2
59.01244	100.0
59.02401	1.7
63.57711	1.1
63.64994	0.6
76.07371	0.4
103.45656	0.5
125.28139	0.5
127.37972	0.6
128.37907	0.6
155.89532	0.5
180.04201	0.7
194.05702	0.6
195.06543	1.7
197.74948	0.6
227.56900	0.5
293.86523	0.6
344.06995	0.6
359.28552	0.7
378.28012	0.5
425.19446	1.0
531.36481	0.6
532.21533	0.6
637.00195	0.6
652.52057	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.6
58.00436	1.2
59.01241	50.4
60.11298	0.8
69.03300	3.2
71.01237	74.3
71.02720	1.2
72.99168	2.1
73.02806	42.4
75.00727	1.4
81.03322	3.8
83.01240	8.7
85.02295	2.3
85.02805	42.6
87.00727	10.8
89.02295	43.3
95.01220	5.0
96.69031	0.9
96.95889	2.1
97.02811	10.6
99.00746	9.3
99.04384	4.5
100.99483	1.3
101.02302	100.0
103.03860	1.4
111.00752	1.4
113.02304	35.4
115.03899	1.7
116.47039	1.0
119.03363	19.6
125.02310	42.9
127.03887	4.1
129.01839	1.2
131.03368	13.2
143.03383	12.3
145.04947	42.3
149.04465	2.9
149.09602	66.9
150.09926	1.8
159.02916	6.6
160.98853	1.1
161.04445	70.6
163.06000	1.6
169.05037	1.0
177.24101	1.0
179.05528	49.9
196.38925	1.1
203.05702	1.4
205.07175	2.2
221.06628	30.1
221.08765	1.5
223.80099	1.1
245.00896	1.5
247.08206	32.7
263.07898	1.8
265.09283	5.3
269.00931	12.2
296.56882	1.1
307.10345	3.4
325.11615	1.4
342.79581	1.1
367.12473	24.4
391.12497	1.2
397.13568	2.4
409.13586	23.9
451.14972	1.5
469.15640	83.2
470.15704	2.8
619.26074	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	3.2
59.70531	1.1
61.98697	2.8
65.07450	1.4
65.34052	1.1
78.45672	1.1
82.02856	4.1
84.61232	1.2
89.14439	1.2
90.14740	1.2
93.25780	1.3
120.04466	1.9
128.93118	1.2
129.05501	1.4
147.03221	2.0
148.03935	17.2
149.04716	8.9
150.05484	21.8
150.06552	1.7
150.09207	4.1
154.05000	2.7
160.04028	1.9
161.04700	7.4
162.05473	2.5
163.02649	2.7
164.03447	8.8
173.03505	6.3
173.04807	2.0
174.04236	28.4
175.02768	1.6
175.05052	7.4
175.06416	4.3
178.58957	1.3
186.05592	3.0
187.06357	4.9
188.07153	2.1
189.06602	12.4
190.04945	1.5
190.07396	31.8
191.08273	2.6
200.07118	3.1
201.07962	4.0
202.07426	4.8
202.09006	2.4
203.05957	1.7
203.08185	1.9
214.11078	2.4
215.08258	2.3
217.07570	3.4
217.09872	4.0
227.09592	2.1
228.06682	2.9
231.07698	16.8
232.08513	45.9
233.09109	6.8
241.09901	2.3
242.08286	3.4
242.10588	2.6
243.07626	3.1
244.08315	14.9
245.07021	2.8
245.09358	5.0
246.07724	2.7
260.75882	1.4
262.09674	3.1
267.07748	2.3
268.08667	2.1
285.08939	3.3
286.06918	2.0
286.09586	10.0
289.09427	2.0
291.83188	1.9
299.13940	10.9
303.10022	3.0
304.10648	3.1
324.13504	8.5
325.11984	2.2
337.47159	1.6
338.92419	1.5
382.17731	22.3
393.18619	1.5
394.17783	6.4
395.16122	1.6
412.18851	2.8
418.17737	1.8
436.18692	14.9
437.17697	6.1
454.19830	87.1
455.20425	4.1
467.16980	7.8
545.24298	4.4
575.25201	1.8
599.24982	7.8
617.26239	100.0
618.26599	7.2
669.83417	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	681.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01073	0.2
55.45562	0.7
59.01241	0.3
59.25616	0.2
71.01241	2.6
73.02803	0.6
82.33434	0.3
82.66888	0.2
83.01226	0.3
84.02007	0.4
85.02824	1.3
89.02309	0.3
91.72718	0.4
97.15279	0.2
99.00710	0.3
99.86081	0.2
101.02300	1.0
101.86804	0.2
108.02036	0.7
109.02801	0.3
113.02325	1.2
121.02827	3.0
122.03615	2.8
123.00752	0.4
123.04340	0.3
124.01513	0.2
134.03619	0.6
135.97728	0.6
136.01540	53.7
136.05899	0.6
137.02371	1.7
145.06465	0.2
149.05914	0.5
150.03032	0.3
151.03899	97.2
151.09010	1.1
152.04237	0.7
157.29233	0.2
159.02884	0.2
159.04417	0.5
160.05200	1.1
161.02383	0.3
161.04474	3.0
162.03119	1.1
163.03894	1.2
175.03926	0.4
175.07582	1.4
177.05449	1.3
179.03383	0.7
180.04181	0.2
189.05504	0.3
190.06390	0.3
193.05118	0.2
203.07179	0.3
206.05812	0.2
232.95421	0.2
256.07361	0.2
296.10519	0.4
311.12994	0.9
334.22040	0.2
342.11078	5.2
357.13467	100.0
357.31985	0.8
358.13821	1.9
519.18713	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	681.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29617	0.3
51.85112	0.3
53.85147	0.3
56.58520	0.3
58.99887	0.7
59.00214	1.1
59.01242	100.0
59.02405	1.8
59.95692	0.3
60.01578	0.4
61.98704	1.8
61.98967	0.3
63.57755	0.5
73.85233	0.3
87.16512	0.3
109.02864	0.5
137.02328	0.4
162.03017	0.3
177.01961	0.4
177.05501	0.4
178.02565	0.4
179.03459	0.5
189.02286	0.4
193.04979	0.5
209.08145	0.4
231.10170	0.4
288.06155	0.4
290.32114	0.4
307.20990	0.4
341.10385	1.1
368.37393	0.4
462.42749	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00085	1.9
59.01242	100.0
59.02563	1.3
61.98699	1.8
63.48463	0.5
84.23379	0.5
103.61935	0.4
104.81198	0.4
105.63675	0.4
108.39161	0.5
109.02853	0.5
166.64502	0.5
233.11772	0.5
292.57562	0.4
386.00989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41860	0.4
63.65878	0.4
68.40908	0.4
71.76248	0.4
72.19637	0.4
72.53078	0.6
72.53414	0.5
76.56052	0.5
79.12686	0.6
91.56957	0.8
91.57513	1.0
92.02512	0.5
93.03311	1.0
95.51778	0.4
106.04073	2.7
107.04871	0.6
108.01337	0.9
108.02029	16.4
119.04874	0.8
121.02818	23.3
121.84115	0.4
122.02942	0.5
122.03622	6.2
134.03563	1.4
135.04427	0.8
152.01004	2.2
185.59604	0.5
234.58907	0.5
247.20648	65.5
248.20932	2.9
277.25641	0.5
291.19666	49.1
292.20038	1.9
302.22559	0.6
344.27234	15.2
345.27985	96.9
346.28381	5.1
377.26984	0.7
389.26996	100.0
390.27289	4.2
396.47751	0.5
514.94202	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
71.48951	0.5
72.99165	30.4
83.59248	0.5
83.65433	0.5
93.03290	1.3
95.04887	1.1
101.05927	0.6
105.03293	3.3
106.04110	1.3
107.04886	0.7
109.02800	1.9
109.06432	3.4
119.08614	0.6
121.02831	4.3
123.04385	0.5
132.98888	0.7
133.02832	24.1
134.03609	12.9
135.04398	57.8
135.11603	0.5
137.02316	4.0
139.03899	1.7
147.04387	4.4
149.02420	0.7
149.09668	0.8
159.04425	1.1
163.11183	100.0
163.17128	1.1
164.04626	1.1
164.11519	1.0
165.12741	3.2
177.01862	12.4
178.02640	16.4
179.03407	54.4
179.10577	0.7
180.03732	0.7
189.09131	6.5
193.12283	6.6
207.10219	2.2
219.10202	0.7
221.11784	9.8
221.13795	0.9
237.11308	4.2
251.09230	14.1
269.08170	6.6
283.11911	5.4
313.07169	6.2
325.09308	14.8
357.11935	9.6
366.47128	0.6
384.10303	0.6
704.69611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23055	0.3
57.03315	0.4
59.01241	37.2
59.02460	0.6
59.40710	0.3
60.53218	0.3
67.49072	0.4
69.10908	0.4
71.01237	23.1
71.02859	0.4
72.99174	0.9
73.02793	0.5
83.01246	0.6
85.02814	3.3
87.00735	1.5
88.99802	0.6
89.00263	0.6
89.02294	42.7
95.01230	1.8
96.75619	0.4
101.01646	0.8
101.02301	14.4
111.20184	0.4
113.01548	0.8
113.02304	12.3
119.03362	14.6
124.03059	0.4
125.02267	0.5
131.03368	1.5
143.03366	3.5
149.04430	1.0
151.60025	0.4
161.04469	3.0
172.98875	0.8
179.05528	17.9
211.59637	0.4
240.19115	0.6
252.42708	0.5
308.46234	0.5
341.10895	100.0
342.11304	1.8
372.07523	0.8
421.30362	0.5
539.61896	0.5
698.84113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17245	1.7
54.04840	1.4
59.01249	12.1
61.98680	3.5
63.95309	1.9
65.69464	1.5
66.91329	1.7
69.89587	1.7
71.01217	6.0
72.66119	1.7
80.68134	2.1
85.02794	1.9
89.02272	3.6
93.03288	2.0
101.02289	2.9
101.59543	2.2
107.66797	1.8
108.02013	2.9
109.02778	2.4
118.12556	2.1
121.02816	16.3
125.02298	4.2
135.04355	2.4
136.01506	9.6
137.02332	3.8
139.03844	3.7
145.06718	2.3
151.00208	6.5
151.03862	8.3
152.01048	3.2
153.01817	6.3
158.22740	2.2
162.03133	4.5
163.03879	2.4
175.03871	2.4
177.01843	3.0
178.02499	2.5
178.35721	2.0
179.03363	4.2
180.04152	6.4
192.04100	3.5
193.04904	5.7
195.06410	7.4
275.09222	4.5
372.59406	2.4
403.13617	6.6
415.13687	4.2
417.11691	5.4
419.13049	3.1
463.13367	2.3
623.23254	3.3
647.24609	2.7
647.32910	27.2
653.23254	8.4
683.24689	100.0
684.24707	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	683.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68874	0.2
55.55483	0.4
55.55718	0.2
55.97173	0.2
55.98967	0.2
56.49083	0.2
58.54183	0.3
59.01220	0.7
71.01230	1.4
73.02790	0.4
74.14031	0.2
75.88721	0.2
78.88241	0.2
81.18541	0.2
85.02818	1.1
85.91196	0.3
86.91108	0.2
89.02299	0.3
96.95867	0.2
99.00753	0.2
101.02306	0.9
108.02048	0.3
113.02306	0.9
121.02820	1.9
122.03592	1.0
123.00747	0.6
123.04404	0.6
124.01550	0.3
124.05310	0.2
127.40913	0.2
136.01534	0.3
136.05141	1.3
137.02263	0.3
137.05920	0.5
143.04900	0.7
145.02802	0.3
147.04388	1.4
149.02347	1.1
150.03105	2.6
151.03880	0.4
153.05411	0.3
158.03612	1.3
159.03125	0.2
159.04401	6.1
160.05193	22.6
161.04451	2.2
161.05968	5.1
163.03935	2.5
164.04675	3.0
173.05992	3.0
174.06737	1.2
175.01349	0.2
175.07555	20.8
176.04651	0.6
177.05478	4.5
178.06258	10.5
186.12515	0.3
191.05525	0.7
191.07083	0.3
192.07852	4.6
192.09494	0.3
193.08658	2.5
215.11363	0.2
231.45796	0.2
314.11496	0.9
328.98563	0.9
329.13956	100.0
330.14291	1.7
359.15027	22.0
360.15445	0.6
491.19547	0.3
521.20551	3.5
683.44470	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16253	1.1
51.62328	1.2
53.24459	1.1
54.00019	1.1
59.01241	22.4
65.82606	1.3
71.01236	20.2
73.02806	7.4
83.01224	5.0
85.02799	9.9
87.00705	1.7
89.02299	10.8
91.72736	1.4
95.01282	2.1
96.95872	4.0
99.00735	3.9
101.02296	26.0
109.02869	1.8
113.02311	10.3
119.03349	3.9
125.02320	3.4
129.01779	2.4
159.02873	2.1
161.04460	10.3
179.01569	1.5
181.12445	1.4
191.05508	3.1
208.19308	1.4
266.06213	1.8
267.06543	1.9
315.18124	16.8
387.10620	1.6
394.63110	1.6
461.23947	13.3
623.29254	100.0
624.29639	6.3
670.77563	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	683.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16253	1.1
51.62328	1.2
53.24459	1.1
54.00019	1.1
59.01241	22.4
65.82606	1.3
71.01236	20.2
73.02806	7.4
83.01224	5.0
85.02799	9.9
87.00705	1.7
89.02299	10.8
91.72736	1.4
95.01282	2.1
96.95872	4.0
99.00735	3.9
101.02296	26.0
109.02869	1.8
113.02311	10.3
119.03349	3.9
125.02320	3.4
129.01779	2.4
159.02873	2.1
161.04460	10.3
179.01569	1.5
181.12445	1.4
191.05508	3.1
208.19308	1.4
266.06213	1.8
267.06543	1.9
315.18124	16.8
387.10620	1.6
394.63110	1.6
461.23947	13.3
623.29254	100.0
624.29639	6.3
670.77563	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	685.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01035	0.8
50.87255	0.8
51.19624	1.2
53.40551	1.0
57.03335	1.0
58.00448	0.9
58.26988	0.8
59.01242	39.8
71.01239	18.2
79.95567	1.3
80.96370	1.9
81.03300	1.0
83.01247	1.8
85.02791	3.0
86.47243	0.9
89.02296	22.4
96.92876	0.9
96.95869	59.3
101.02309	21.1
109.02818	1.3
113.02311	8.3
118.21691	1.0
119.03364	8.6
125.02307	1.4
128.14780	1.0
135.04431	1.3
136.05226	5.5
137.02351	0.9
137.75044	0.9
138.72156	1.0
150.03113	1.4
151.00340	1.6
153.01814	1.8
156.01106	1.2
162.06757	1.1
183.73708	1.0
219.13857	50.5
237.14963	5.1
241.00217	29.6
263.12866	3.2
399.20279	13.8
443.19046	5.4
492.17706	1.1
509.46921	1.2
605.24542	30.9
606.24677	2.0
685.20264	100.0
686.20483	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	685.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79964	0.1
59.01229	0.3
61.24363	0.1
63.99156	0.1
69.71718	0.1
71.01242	0.5
73.02812	0.3
83.15999	0.2
85.02812	0.3
93.03322	0.4
96.95894	0.5
99.00719	0.1
101.02343	0.2
108.02016	0.2
109.02819	2.6
113.02278	0.3
113.93584	0.1
118.84591	0.1
121.01473	0.2
121.02149	0.1
121.02821	8.2
122.03609	9.0
123.04411	1.0
124.01535	0.5
125.02354	0.2
128.03458	0.2
129.03326	0.2
134.03648	0.6
135.04378	1.1
136.05180	1.1
137.02353	0.9
139.03812	0.2
140.09508	0.2
146.03616	0.3
147.04414	3.5
148.05154	0.3
149.05998	1.0
154.02596	0.6
156.16653	0.2
160.05247	0.2
161.04504	0.4
161.06003	1.2
162.06682	0.3
164.04767	0.3
164.99251	0.2
165.05472	17.4
165.11116	0.2
173.35388	0.2
175.07530	0.4
178.06274	0.7
179.07053	5.7
191.07118	0.3
193.05115	0.3
209.08141	0.6
213.76193	0.2
223.09686	1.0
285.11362	0.2
297.11392	0.2
298.12106	0.7
301.10834	0.3
313.14563	0.6
315.12381	1.7
316.13165	0.3
331.15509	0.5
344.12766	0.3
345.13474	0.3
346.14224	8.4
347.14471	0.3
361.16595	100.0
362.16913	2.1
450.18866	0.2
523.15894	0.2
523.21875	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	685.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10231	0.8
58.00470	5.8
59.01239	2.4
68.19923	1.1
71.01251	1.4
72.16261	0.9
93.03323	8.9
96.95899	1.1
98.90827	0.9
103.00221	1.6
107.04894	6.8
107.29903	0.9
109.02820	2.4
118.31502	1.1
119.04916	5.5
120.62331	1.0
124.01598	1.7
125.02325	1.3
131.04965	1.3
135.04381	2.9
137.02338	1.7
139.03947	1.1
147.04416	6.8
149.05983	4.8
157.36252	1.1
161.02373	1.3
162.03142	1.5
163.03896	3.3
164.99782	1.3
165.05470	100.0
175.03804	1.6
177.68971	1.1
179.03462	1.7
193.05014	12.5
195.06474	1.3
208.24542	1.3
209.04521	6.3
213.96329	1.2
219.02969	1.7
225.64436	1.2
237.04048	6.5
295.02560	1.2
315.18195	2.5
405.12000	4.3
447.22278	11.0
482.02469	1.2
488.22675	1.3
597.94366	1.2
685.16998	1.9
685.28552	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	685.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80735	0.5
59.01211	1.0
61.81983	0.6
61.98697	5.4
67.26043	0.6
76.45010	0.6
79.62695	0.6
84.30025	0.7
90.22845	0.5
96.95858	0.7
105.61419	0.7
108.02026	11.5
109.02822	13.2
109.03558	0.7
112.14542	0.7
113.21175	0.6
117.03307	0.8
119.04935	0.6
121.02834	2.1
123.04385	6.7
125.09615	1.0
127.11140	2.5
129.03358	1.1
131.04883	1.4
133.02840	0.8
134.03612	4.2
137.02353	1.1
139.03932	0.8
143.10619	0.8
145.02841	6.8
146.03625	10.6
147.04411	11.3
155.10641	0.8
157.02829	2.9
157.12256	2.1
157.39084	0.7
158.03629	10.5
159.04413	33.0
160.04807	0.7
161.02345	8.6
161.05954	2.8
162.03114	3.6
163.03905	7.1
167.03491	0.9
171.10153	1.5
172.01668	0.8
173.02333	16.8
173.05913	0.9
174.03149	1.6
175.03914	5.9
177.01839	4.0
177.05487	3.4
178.02574	3.5
179.03409	2.0
180.04169	1.2
185.02489	1.0
189.01926	2.1
190.02693	1.9
190.81593	0.8
192.04196	3.5
193.04974	6.5
195.06557	3.2
196.05154	1.3
202.02708	1.9
203.03448	22.6
209.06096	0.8
217.05048	0.7
220.05182	1.0
221.06064	1.1
223.04117	1.0
223.07886	0.8
224.04741	2.1
225.05579	1.4
229.01411	15.0
237.05533	2.7
238.06297	3.6
239.07080	2.3
245.11960	0.9
248.04892	1.2
249.05815	4.3
250.06369	2.7
251.07175	0.9
252.04208	1.3
253.05023	5.1
254.06003	0.9
259.13940	0.7
265.05084	11.6
266.05856	27.6
267.06638	12.3
268.07394	5.4
276.04388	1.2
277.05136	3.7
278.05814	1.5
281.08261	6.9
283.09805	4.0
293.04602	6.7
294.05347	21.0
295.06009	1.5
295.22791	0.8
309.07703	27.6
311.05524	1.0
313.23862	5.7
327.08609	1.8
329.23376	2.1
331.24939	40.2
353.06702	18.1
398.41354	0.7
425.23767	0.7
439.17563	1.5
471.27606	1.7
478.04053	0.9
481.26114	2.2
499.27020	12.9
505.28436	1.0
517.20410	1.5
517.28125	27.8
531.29718	1.7
561.26636	1.3
563.28601	16.6
572.56714	0.7
623.31927	1.8
625.30396	1.3
631.05890	0.8
631.21826	0.9
641.33398	100.0
642.33551	3.6
685.32379	32.7
686.32202	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00972	2.7
59.01244	35.4
61.98698	13.7
70.70492	1.2
71.01240	24.7
72.40062	1.1
73.02822	6.1
73.19347	1.1
73.64985	1.2
76.03166	1.1
78.74816	1.3
78.95776	2.7
82.46964	1.2
83.01241	4.1
85.02802	7.1
87.00719	7.0
87.40038	1.3
89.01446	1.5
89.02298	27.8
89.56226	1.3
91.73277	2.0
95.01248	1.9
97.02820	4.0
99.00744	3.9
101.02300	26.5
109.02876	1.5
113.02302	11.1
115.00241	6.2
119.03376	8.6
119.04922	2.9
125.02322	9.0
143.03412	3.8
145.02834	3.2
161.04454	4.9
175.02406	15.5
179.05505	3.7
221.06648	2.1
227.20119	83.0
228.20502	2.6
235.08270	8.8
235.98833	1.6
251.20267	1.7
277.09537	1.6
282.25555	1.8
287.07831	2.2
299.06152	1.7
305.08865	4.0
323.09872	2.4
397.13513	100.0
398.13937	3.4
415.14636	30.1
416.25247	4.6
625.34283	6.8
651.50781	1.7
685.31116	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	685.4692
Annotation	Pterulamide III
Peak:m/z	Relative Intensity
54.89017	0.8
59.01239	1.5
59.69064	0.8
60.09678	0.8
66.90491	0.8
72.09412	0.8
74.88401	0.8
75.19472	0.8
75.71555	0.8
91.73354	1.1
117.03329	31.0
118.04118	2.4
118.14780	0.9
119.04888	33.0
119.05753	1.7
120.16097	1.0
121.02836	9.1
123.04356	2.2
133.02809	2.3
145.02838	54.5
162.03145	2.0
163.03917	14.7
202.81155	1.2
207.56480	1.1
247.20775	1.0
285.20755	7.9
399.25421	2.0
413.10776	1.2
417.26590	8.1
538.76996	1.1
685.46906	100.0
686.36353	1.1
686.47168	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	686.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74905	0.4
61.98694	25.9
65.34838	0.4
81.65805	0.5
86.13146	0.5
89.13531	0.4
101.09044	0.4
104.35863	0.4
107.61029	1.1
107.61725	1.0
111.75231	0.5
120.29962	0.6
121.20584	0.4
151.00273	2.9
163.00229	1.3
183.04453	0.6
199.03922	2.8
215.03438	1.1
227.03491	2.9
242.02222	1.6
243.02968	18.8
244.03682	1.2
254.02171	0.9
255.02977	10.8
255.05655	0.7
255.16597	0.5
257.04581	2.6
259.06033	0.8
270.01682	2.9
271.02499	35.0
272.03308	1.9
285.04025	5.4
286.04926	1.6
287.05640	1.3
299.01993	31.4
300.02774	26.3
314.04352	36.4
315.05127	68.4
316.05365	1.2
357.06281	0.8
623.16254	100.0
624.16547	3.5
647.19714	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25789	0.5
59.01250	8.4
61.96581	0.5
63.68253	0.6
71.00876	1.3
71.01240	16.2
71.04877	3.2
73.02784	0.7
74.07357	0.7
74.78011	0.6
85.02827	1.3
88.03890	2.4
89.02298	4.9
91.72769	1.1
91.93240	0.6
95.01239	0.6
99.04395	1.0
101.02292	5.4
113.02296	3.0
116.07044	1.1
119.03376	1.4
125.02299	1.5
128.07043	1.3
139.82822	0.7
146.08115	43.5
149.69240	0.7
151.11557	0.7
161.04442	1.5
173.74251	0.7
200.09288	1.0
214.14102	0.8
305.06750	2.8
308.13504	5.1
362.14551	1.1
380.15637	100.0
381.15921	3.4
420.77783	0.8
576.39978	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.17
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16811	0.5
54.75296	0.7
58.33727	1.4
58.39616	0.7
72.70466	0.7
72.99171	2.5
77.21606	0.7
78.47590	0.7
79.84454	0.7
85.59219	0.8
99.08051	0.8
104.31698	0.7
106.04090	0.8
109.02791	2.0
109.06452	2.2
121.02805	1.2
134.03641	2.2
135.04510	0.8
153.01825	2.2
155.10655	1.4
162.03127	1.1
163.11183	53.2
165.12810	1.8
175.11186	1.1
191.10703	2.1
193.12277	4.7
195.84868	0.8
197.00887	1.8
199.09688	1.6
207.10161	2.4
209.11864	2.1
219.10233	10.4
237.11272	12.4
242.75578	0.7
251.09262	7.0
281.10443	1.3
297.09821	1.7
325.09296	31.9
326.09537	0.9
361.06985	100.0
368.64267	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.209
Annotation	3-Hydroxy-4',5',7-trimethoxyflavone-(6->8'')-3'-hydroxy-3''',4''',5'',7-tetramethoxyflavone
Peak:m/z	Relative Intensity
58.74445	0.7
60.73207	0.7
62.04264	0.6
65.47752	0.7
79.00216	0.7
91.50539	0.7
93.03307	0.8
96.95865	1.3
108.01969	0.8
109.02773	1.0
123.04411	1.0
135.04411	3.5
138.49907	0.7
145.02866	1.5
146.03635	10.5
146.74380	1.0
147.04391	2.6
148.04977	0.7
149.05954	1.3
159.02936	0.8
161.06006	3.1
163.03926	2.0
164.04701	8.6
165.05476	3.1
167.03450	1.1
179.03481	0.9
179.07034	7.2
193.04958	1.2
195.06621	1.5
211.03932	1.4
211.07602	1.1
227.03473	4.0
227.07141	1.6
229.01350	1.2
239.03471	1.7
239.07248	1.3
240.04305	2.4
241.01323	1.5
241.05093	1.6
242.02209	3.0
243.03027	2.2
251.03546	1.0
251.07275	0.9
253.05124	2.4
255.03014	3.0
255.06656	6.7
256.03784	6.1
256.07483	1.9
267.02994	2.5
267.06564	4.7
268.03802	5.2
268.06824	1.5
269.04572	9.9
269.08069	1.6
270.01727	3.9
270.05377	7.5
270.08426	1.3
271.02490	5.1
271.05493	1.4
271.09775	1.2
273.75809	1.0
279.02939	1.5
280.03787	1.2
281.04553	2.0
281.08176	1.0
282.05450	1.8
283.06030	8.2
284.03232	1.4
285.03992	5.5
288.02814	1.3
292.03580	0.8
296.03412	1.0
297.04037	3.2
297.07532	1.6
298.04846	13.5
299.05597	6.1
302.04318	2.8
309.04208	1.0
310.04816	1.3
311.05573	2.9
312.06357	1.1
313.03751	1.7
313.07202	19.1
314.07770	1.4
325.07312	1.3
326.04312	5.7
327.05240	6.0
329.06805	1.2
339.05215	3.4
339.10687	0.9
340.05612	0.9
341.06680	18.6
342.06970	1.1
353.07086	1.6
357.06296	4.6
361.07315	1.5
371.07886	10.5
373.07117	1.3
375.08844	2.1
389.06686	2.7
390.07437	1.4
401.06625	1.0
403.08282	7.2
404.09036	2.8
405.09671	2.5
415.08182	1.3
417.09937	5.5
418.10651	1.6
433.09473	1.8
461.08633	1.7
462.53775	0.9
463.10440	1.9
477.11752	8.1
489.11465	1.4
507.12949	66.4
508.13315	3.3
551.16278	1.0
554.37604	1.1
590.07227	0.9
654.17560	1.1
657.19849	43.3
658.20087	3.0
669.19855	24.2
670.19995	2.0
687.20862	100.0
688.21307	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	687.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01734	2.6
57.03317	38.4
59.01244	58.9
61.98692	9.9
69.03349	2.0
71.01238	40.0
73.02808	15.8
81.03320	3.2
83.01230	5.2
85.02809	19.7
87.00728	4.3
89.02283	10.2
95.01252	4.0
96.21531	1.7
97.02830	3.3
99.00748	6.8
99.04381	46.1
101.02307	43.9
109.02866	1.6
113.02303	24.2
119.03378	4.2
124.01577	3.5
125.02315	43.6
128.67442	1.6
137.02354	1.8
139.03790	1.9
143.03397	6.9
149.02336	1.7
150.03145	2.7
152.01001	2.6
159.02974	4.5
161.02376	2.3
161.04449	21.4
162.03151	5.1
167.03445	2.1
177.01851	3.9
177.05530	2.5
178.02640	22.9
178.80775	1.9
179.03433	4.8
179.05447	2.0
180.04269	7.8
191.03528	2.4
192.04083	2.4
193.05003	21.7
194.05714	4.4
195.06541	14.0
215.52879	1.9
235.08267	2.2
273.88931	1.7
313.91205	1.9
381.22919	7.1
387.10800	2.3
389.12393	3.2
403.10611	3.6
426.04575	2.1
506.04074	2.4
525.27124	26.9
543.28107	100.0
544.28528	4.8
568.89594	2.1
585.29211	15.4
594.51752	2.0
633.23492	4.0
651.24445	2.3
687.32477	41.2
688.32953	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	687.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99186	13.7
59.01231	16.9
59.72228	13.8
89.02317	17.1
93.40499	13.5
99.33504	14.6
130.09671	17.5
141.22697	14.5
253.21819	56.8
320.79993	18.4
397.13586	79.7
415.14670	30.0
652.29724	20.7
652.55164	21.2
687.33911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91915	0.3
53.79646	0.3
57.03300	0.6
57.19070	0.4
58.00445	0.6
58.20198	0.4
59.01027	0.3
59.01244	4.1
69.03318	0.7
71.01234	1.6
73.02805	17.6
78.95757	0.4
81.03297	1.8
83.04878	6.4
84.67687	0.5
85.02788	3.6
93.00874	0.5
93.03313	44.8
99.00735	5.5
99.04373	4.5
101.02309	1.0
111.04379	18.0
111.05148	0.9
129.01788	1.9
129.05452	1.4
137.02319	14.5
143.03391	3.2
152.99477	1.2
155.03391	10.4
155.05336	0.5
173.04459	100.0
174.04799	1.1
177.40050	0.4
251.66916	0.4
253.09235	0.8
277.21829	2.3
280.04147	0.5
285.20724	1.3
294.72385	0.5
368.87085	0.5
496.25842	0.5
516.21075	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16554	0.7
57.61864	1.0
61.97451	1.8
61.98695	100.0
62.00076	1.8
96.95871	0.9
115.08673	1.1
139.84103	0.7
177.01654	1.0
183.59523	0.9
194.05499	0.9
200.14070	1.0
376.32077	0.9
577.37280	4.0
578.37628	1.4
625.37964	4.1
627.37665	1.0
628.37634	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76921	0.7
55.18364	0.5
59.01237	1.8
65.74515	0.6
66.31198	0.5
70.30486	0.7
71.01247	0.6
81.03314	0.6
85.02796	0.6
89.02286	1.3
93.03278	0.8
95.01192	0.9
96.95880	1.6
101.02288	0.8
108.02069	1.7
109.02814	26.1
113.02359	0.9
113.94738	0.6
119.04904	3.7
121.02820	3.3
123.04382	2.2
125.02325	2.5
129.03322	7.2
130.04138	1.3
131.04948	0.7
135.04399	2.5
137.02383	1.1
145.02853	7.2
146.03636	9.4
147.04407	100.0
148.04750	2.5
152.01053	2.3
153.01860	3.3
158.03596	1.0
159.04416	21.6
160.04684	0.8
161.06003	0.8
167.03445	1.7
177.01872	2.8
199.25626	0.8
204.84903	0.6
240.41977	0.7
241.05124	1.5
248.63979	0.9
251.07047	1.2
252.07936	1.0
268.07452	1.0
269.04721	9.0
269.08200	63.6
270.05923	1.0
270.08517	4.1
271.02530	4.7
287.05676	2.1
313.07199	31.3
331.00876	0.5
331.04620	10.8
343.13895	1.0
344.14499	1.8
344.97504	0.7
369.26837	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
67.47398	0.3
73.12653	0.5
91.25914	0.3
93.03327	0.6
117.77110	0.3
119.04903	0.5
121.02821	10.6
122.03602	1.3
135.04411	2.3
149.05978	0.4
160.80391	0.5
160.81793	0.8
177.17210	0.3
185.22246	0.5
194.07330	0.5
195.04486	1.5
196.05226	2.2
198.06900	0.9
207.08057	1.9
209.06070	1.8
210.06831	1.2
211.07571	2.4
212.08315	1.6
217.20892	0.3
221.09741	0.3
223.03943	0.5
223.07494	0.6
224.08406	0.9
225.09186	4.9
237.05496	0.8
237.09251	0.8
238.06071	0.4
239.10799	1.5
244.07472	0.5
253.12367	0.6
253.46904	0.3
256.07495	0.4
259.17090	0.9
265.12701	0.4
267.13983	0.7
281.15363	0.7
287.20111	0.4
293.15353	0.4
296.84457	0.4
299.23883	0.8
301.25360	3.2
316.24051	2.5
317.24829	4.2
319.17117	0.3
323.61523	0.4
335.20230	1.0
345.24374	0.5
349.21750	1.3
361.18741	0.3
363.23312	0.6
377.24820	1.4
389.28406	0.8
390.25772	1.4
391.26495	0.5
392.27280	0.4
403.30264	0.4
404.27200	1.1
405.28143	1.0
406.28842	0.8
418.25229	1.6
419.29605	12.0
432.26675	0.9
433.31442	3.3
447.32660	1.4
461.34436	1.1
475.35980	1.0
503.38947	0.5
529.30450	0.3
599.48224	3.3
601.49988	76.3
602.50275	3.4
627.47699	3.0
645.48938	7.0
671.46802	6.3
672.47626	0.5
689.47949	100.0
690.48083	6.1
690.58954	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81199	0.1
58.10060	0.1
72.79506	0.1
77.04694	0.1
78.95771	0.2
79.95583	1.5
92.80798	0.1
93.50761	0.1
96.93285	1.4
96.95866	100.0
96.98099	1.0
116.21896	0.1
227.03493	0.9
255.02974	1.9
279.09036	0.2
284.03284	2.7
285.04001	0.5
481.04941	0.1
593.15100	2.5
594.16022	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69995	0.4
59.01234	0.9
71.01258	0.6
91.58151	0.5
93.03314	5.2
95.01280	0.6
95.04886	0.8
96.95874	8.2
100.27110	0.6
101.02299	0.8
102.16311	0.6
109.02815	2.8
111.04372	1.3
121.02853	4.2
125.02323	1.2
137.02283	3.2
138.03098	6.3
139.03889	100.0
139.08241	1.0
140.04224	1.0
151.03894	0.8
159.04375	0.5
177.01830	1.1
181.05064	0.7
198.68738	0.5
301.09305	67.8
302.09659	1.7
345.08325	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	691.261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52423	0.5
54.14586	1.7
56.68744	0.4
59.01233	2.2
69.03283	0.6
72.41408	0.5
72.99166	3.1
73.02796	0.8
74.27490	0.4
76.51367	0.5
96.95879	5.5
97.02808	1.6
99.08016	2.1
113.02311	6.6
121.06478	3.5
125.02321	6.6
141.01869	0.7
173.04515	0.8
175.02263	0.7
179.14326	100.0
180.14713	0.9
203.14233	0.9
212.10687	0.8
223.13358	24.9
267.12396	59.7
281.11728	1.6
283.11954	1.4
283.15329	1.3
349.12619	0.7
367.14029	11.3
395.13641	1.3
395.78091	0.6
403.68542	0.6
423.12912	4.8
602.32611	0.8
655.24414	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52423	0.5
54.14586	1.7
56.68744	0.4
59.01233	2.2
69.03283	0.6
72.41408	0.5
72.99166	3.1
73.02796	0.8
74.27490	0.4
76.51367	0.5
96.95879	5.5
97.02808	1.6
99.08016	2.1
113.02311	6.6
121.06478	3.5
125.02321	6.6
141.01869	0.7
173.04515	0.8
175.02263	0.7
179.14326	100.0
180.14713	0.9
203.14233	0.9
212.10687	0.8
223.13358	24.9
267.12396	59.7
281.11728	1.6
283.11954	1.4
283.15329	1.3
349.12619	0.7
367.14029	11.3
395.13641	1.3
395.78091	0.6
403.68542	0.6
423.12912	4.8
602.32611	0.8
655.24414	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98765	0.2
57.03311	0.5
58.00439	0.4
58.99997	0.3
59.01242	15.3
60.34277	0.2
61.98694	0.5
63.98133	0.3
69.03310	0.8
71.01238	10.6
71.02631	0.2
72.99157	0.6
73.02805	1.7
75.03292	0.2
78.02167	0.2
78.95750	0.3
81.03303	0.3
83.01237	1.6
84.81975	0.3
85.02808	2.2
86.56590	0.3
86.57011	0.2
87.00729	2.5
89.02297	12.6
89.04303	0.2
91.03835	0.3
91.73405	0.4
95.01232	0.7
97.02817	1.8
97.32075	0.2
99.00745	0.7
100.99534	0.2
101.02299	9.5
110.60434	0.2
113.02303	4.4
119.03372	3.6
119.04759	0.2
121.02835	0.3
125.02300	3.1
125.68669	0.2
131.03369	0.7
143.03400	1.6
149.04422	0.4
161.04454	1.9
175.02434	0.2
177.12627	0.3
179.05524	3.0
179.14305	0.5
183.10197	0.5
192.92412	0.2
194.10474	0.3
195.13840	7.4
195.15648	0.4
196.14574	0.9
205.12248	0.7
211.13350	0.3
221.06587	1.0
223.13359	4.8
224.13991	0.3
225.14948	0.3
228.13641	0.4
231.21191	0.4
235.08203	3.0
239.12820	0.3
253.09251	1.1
256.13254	1.3
263.07654	0.6
265.21683	0.4
275.20163	4.1
287.07736	0.6
293.21234	100.0
294.21579	3.2
305.08755	0.8
323.09775	0.6
397.13541	21.3
398.13950	0.4
415.14584	25.0
416.14951	0.8
528.18817	0.3
587.28607	0.3
592.16553	0.3
601.49689	0.3
654.27649	0.6
655.42242	0.3
691.35657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02051	0.2
56.01059	0.2
57.03312	0.4
58.00462	0.3
59.00053	0.3
59.01242	17.4
61.98684	0.3
69.03320	0.6
70.99670	0.2
71.01241	12.4
72.99162	0.7
73.02802	2.1
74.64415	0.2
75.00719	0.3
78.95783	0.4
81.03332	0.4
82.48606	0.3
83.01244	1.2
83.59447	0.2
84.82006	0.3
85.02803	2.6
86.56629	0.4
86.57067	0.3
87.00725	2.3
89.02296	13.9
91.03887	0.2
95.01240	0.9
95.04913	0.3
97.02802	1.9
99.00739	1.0
101.02302	10.2
109.02820	0.3
111.00768	0.3
111.04335	0.4
111.08043	0.6
113.02302	4.8
113.09571	0.4
119.03368	3.6
121.02785	0.3
125.02316	3.2
131.03365	0.3
133.04901	0.3
139.03944	0.4
141.01813	0.3
143.03412	1.5
149.04427	0.2
159.48834	0.2
161.04439	2.1
167.10695	0.4
179.05531	3.2
179.14276	0.7
181.12126	0.3
183.10262	0.6
191.05516	0.5
194.10634	0.4
195.13823	7.4
196.14561	1.0
202.56660	0.2
205.12292	0.7
205.15903	0.5
211.13297	0.6
221.06602	1.2
223.13356	5.8
224.14075	0.4
225.14946	0.3
228.13635	0.4
231.21136	0.4
235.08174	2.9
253.09274	1.3
256.13068	1.8
263.07553	0.5
265.21689	0.5
275.20187	4.3
287.07761	0.7
293.07999	0.8
293.21237	100.0
294.21603	3.6
305.08768	0.9
323.09583	0.3
342.01276	0.3
379.12424	0.5
397.13550	20.7
398.13803	0.5
415.14606	24.3
416.14755	0.7
444.68832	0.3
587.28021	0.4
654.27411	0.6
691.35022	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	17.1
61.98687	1.8
65.54015	0.9
67.42902	0.9
70.59101	0.8
71.01239	12.5
73.02758	1.3
73.09331	0.9
78.95769	2.8
85.02802	1.8
87.00719	1.4
89.02293	12.3
96.95869	1.7
97.02818	1.8
101.02303	9.2
107.13334	1.1
113.02287	3.4
119.03358	3.1
125.02307	3.1
143.03389	1.8
145.02852	1.8
152.99561	1.6
163.56638	1.1
179.05559	2.3
195.13803	7.6
205.15782	1.0
209.85747	1.2
221.06706	1.1
223.13351	4.1
235.08203	3.6
237.62254	1.1
255.11282	1.4
256.13412	1.3
275.20267	5.5
293.21234	100.0
294.21576	2.3
331.67444	1.1
397.13489	21.7
397.18573	1.7
402.88678	1.1
405.67035	1.0
415.14600	25.1
459.83243	1.3
519.77582	1.5
691.35309	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	691.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35093	1.8
57.08493	1.7
59.01012	1.6
59.01246	14.3
62.41062	1.9
66.45234	2.2
67.27506	2.0
71.01244	11.4
73.02808	10.3
73.20947	1.9
78.95766	2.2
82.00762	2.1
85.02770	2.3
85.55762	1.9
87.93358	2.0
89.02290	3.5
90.87647	2.2
91.73366	3.2
101.02339	4.5
113.02316	6.8
152.99405	2.9
249.18593	19.1
255.23315	3.7
263.23792	2.6
275.23874	6.7
279.23294	100.0
280.23560	3.3
293.24884	70.7
303.23245	10.6
321.24347	23.1
333.24310	3.7
351.25690	3.2
380.50461	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	691.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06024	1.5
67.32248	1.8
83.42011	1.7
92.02556	2.2
106.04120	3.6
119.04913	7.6
121.02806	3.9
133.06410	3.0
140.61153	1.7
181.44312	2.1
220.07524	1.7
262.12476	1.8
290.55508	1.8
301.25375	82.5
345.24356	100.0
632.37500	2.3
649.13153	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	692.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00360	0.4
57.03306	0.5
57.40246	0.5
58.02843	2.9
59.01244	0.8
63.41434	0.4
70.02830	0.6
72.00748	1.1
74.02330	11.2
75.86578	0.4
81.17742	1.2
81.29178	0.8
81.29612	0.5
82.02835	1.6
83.01254	1.0
84.04420	1.0
86.02341	3.5
86.05964	0.9
87.05489	3.7
89.02306	0.5
90.00035	1.0
91.72681	0.5
93.03344	0.6
95.03602	0.8
95.04878	0.5
96.04439	0.7
96.08048	0.9
96.95897	0.7
97.02778	0.9
97.03926	1.5
99.05502	9.7
101.07068	1.0
102.05433	0.9
106.06499	2.5
107.05994	0.6
109.02811	2.1
109.03899	0.7
111.04366	2.1
111.05540	0.6
112.03902	1.7
113.03458	2.8
116.01666	0.7
121.06439	0.6
122.05978	0.9
123.00741	1.2
123.05506	1.1
123.06326	0.6
124.07565	5.0
125.02325	11.4
125.03378	1.5
125.07907	1.2
127.05008	1.8
128.03407	21.5
132.04431	20.2
132.08385	1.2
133.05272	16.4
134.05615	3.6
135.05508	1.8
135.06384	0.9
137.02356	3.2
137.07037	0.5
139.03897	4.2
141.06573	1.3
143.04507	30.4
145.06097	1.3
146.04462	2.3
148.03944	0.7
150.05534	0.9
151.16673	0.5
153.06606	3.2
155.08200	0.9
160.00633	8.2
161.02281	0.8
161.09624	1.0
163.07675	0.6
164.10657	0.9
165.01860	1.7
165.04216	9.9
166.04535	2.1
166.09752	1.6
167.03354	4.0
167.04514	2.5
167.08142	1.0
170.03241	1.1
175.03886	0.9
176.01114	0.9
176.06952	0.8
177.01785	1.7
177.03284	2.0
177.04428	0.9
177.05556	1.1
178.04832	1.6
179.04561	6.5
185.05589	1.0
186.09114	1.4
187.09579	0.8
192.07762	0.6
197.05664	1.2
203.03503	1.2
204.04240	0.6
205.08736	2.6
209.03200	2.6
210.03506	1.2
210.08777	6.9
213.06590	1.0
214.12381	3.2
215.11815	3.0
216.12193	1.9
217.08633	2.6
219.06654	1.5
221.04486	1.9
229.09808	1.4
229.44316	0.5
230.10089	0.5
240.10324	0.8
241.09923	1.6
242.07820	1.3
242.10168	0.8
245.08250	3.2
254.07780	7.4
257.12952	10.5
258.13269	6.7
259.09702	0.8
263.05518	1.0
264.17123	0.6
272.06015	0.7
272.08920	11.5
283.10883	3.5
284.11215	1.7
288.06522	4.8
300.46033	0.6
301.11905	5.4
302.12338	3.0
305.06644	4.3
306.07672	100.0
307.08063	2.0
308.16238	5.0
341.13562	0.6
342.14987	11.1
345.10947	53.6
346.11246	42.5
385.12967	19.1
386.13986	7.0
692.22113	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08133	0.2
61.99037	0.2
83.28217	0.2
89.52161	0.2
103.91250	0.3
103.91896	1.0
107.04890	4.3
110.63758	0.2
117.03330	1.1
119.04890	6.0
119.05736	0.3
121.02818	0.4
131.04898	0.6
133.06462	1.3
145.06503	0.9
147.08066	0.4
159.08035	1.0
161.09599	0.3
172.91843	0.2
175.11166	0.3
178.97813	0.3
186.98373	0.3
190.97949	1.2
192.95935	0.2
194.97452	1.6
196.98993	0.5
203.14337	0.3
206.97430	1.9
213.99275	1.6
218.97441	3.3
220.98981	0.8
223.97748	0.3
229.15994	0.3
232.98947	0.4
234.97028	0.7
235.00630	0.8
249.02228	0.6
253.41861	0.3
261.02286	0.3
267.01221	0.5
268.01898	1.0
269.02628	0.5
271.20682	0.6
272.01364	0.4
273.22256	5.5
275.03867	0.3
275.23837	2.8
279.01077	0.3
281.02701	5.3
283.04294	0.7
285.02258	0.4
286.02927	0.6
287.03928	0.5
293.02728	1.3
295.04318	1.7
298.02878	0.3
299.00162	1.1
299.03735	3.5
305.02722	0.5
307.04242	2.1
309.02109	0.3
309.05780	0.7
311.00385	0.4
311.03702	0.5
312.00928	4.5
313.01550	0.5
313.05353	1.0
319.23004	0.3
321.05798	2.4
323.07495	0.4
325.01706	8.3
326.02234	0.9
327.06866	0.3
335.07422	0.7
337.08954	0.4
339.03256	3.4
343.99915	6.0
344.03976	0.5
345.00159	0.4
347.16827	0.6
351.10458	1.0
353.04819	1.2
358.01389	0.8
365.12158	0.9
365.17151	0.5
367.06403	2.5
369.11655	0.5
373.14621	0.5
379.13736	0.6
381.07928	2.2
383.13129	0.7
391.15747	0.5
393.15305	0.6
395.09491	2.3
397.14822	0.8
407.16864	0.4
409.11118	2.4
411.16565	0.4
423.12512	2.4
425.17935	0.6
435.19925	0.3
436.20804	0.4
437.14133	2.1
439.19562	0.6
447.20197	0.5
449.21497	6.2
450.22269	0.5
451.15891	2.1
452.15909	0.3
461.21686	0.5
463.23022	1.3
465.17130	0.6
467.22583	9.8
468.18900	1.2
475.23065	1.0
477.24548	0.8
479.18796	0.6
480.19644	1.4
481.24857	2.0
489.24487	0.8
491.26352	0.7
493.20505	9.3
494.20755	1.2
495.25867	1.4
505.27618	0.6
507.22104	2.8
509.27295	1.9
512.18811	1.2
521.23627	2.2
522.23553	0.3
523.28601	0.8
524.18628	0.3
535.25153	2.5
536.25311	0.3
537.19647	1.3
537.30615	0.3
547.32654	0.4
549.26776	0.8
551.31866	0.4
563.28442	0.4
565.33466	0.3
577.30157	0.5
591.31842	0.5
605.32501	0.3
621.39081	0.6
623.41180	0.3
647.37885	0.5
692.37537	100.0
693.37866	11.4
698.61493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37846	1.7
59.00974	4.1
59.01244	57.5
63.69380	1.7
75.75210	2.0
104.70766	2.2
111.58620	1.9
121.02824	3.3
150.03137	4.3
162.03157	6.6
165.05479	4.3
177.01842	30.4
177.05618	2.0
178.02621	51.7
178.95563	1.9
179.03316	3.0
180.04196	12.6
185.07443	4.7
191.03435	3.6
192.04207	38.7
193.04990	100.0
195.06564	45.2
197.91463	2.2
237.36253	2.0
254.14944	2.3
258.36536	2.2
290.98743	2.3
317.14178	2.5
329.32034	2.4
387.10962	4.0
423.18182	4.4
424.23969	2.4
577.37292	6.3
615.22375	10.5
627.21100	2.3
713.85168	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2561
Annotation	Celahin D
Peak:m/z	Relative Intensity
55.64503	0.6
59.01241	23.3
71.01222	2.8
78.95746	1.4
95.00627	0.8
96.95906	0.8
108.02054	0.8
109.02784	1.2
121.02837	1.6
123.04352	1.3
124.01511	1.2
134.03598	3.0
135.04454	1.4
136.01543	6.8
137.02336	4.4
139.03806	0.8
149.02292	1.1
149.05965	1.8
150.03117	0.8
151.03880	8.3
153.01921	0.7
160.05217	1.3
162.03168	1.1
165.01898	0.7
173.05988	1.6
179.03394	1.0
186.12936	0.8
189.05499	1.1
195.06531	1.8
213.05618	1.4
229.08690	1.5
231.06500	1.0
241.04996	2.2
242.05849	1.8
243.06631	2.0
255.06607	1.6
256.07281	2.0
257.08179	3.3
265.08673	1.1
267.06598	1.5
267.10046	0.9
271.09698	1.3
272.10492	1.1
273.11404	1.8
279.06424	1.1
280.07449	1.1
281.08231	0.9
282.08856	1.5
287.12857	1.5
291.06882	0.9
293.08179	1.6
295.09799	1.9
304.09729	1.3
309.11383	1.1
333.11069	1.1
339.08896	1.0
341.14157	0.9
353.10336	2.6
354.11185	1.0
367.11905	1.1
374.95013	0.8
385.16647	1.3
386.10074	2.2
391.11856	2.2
400.12009	1.3
400.18964	7.5
407.15100	0.9
413.12711	1.1
414.11505	0.9
421.13507	0.9
431.14810	1.2
461.16055	2.0
521.18201	1.9
541.18378	1.2
543.20166	1.7
560.48376	0.8
573.21594	8.3
603.22321	2.0
618.21210	1.9
633.23486	100.0
634.23944	3.7
692.73553	1.7
693.25513	27.0
693.36609	9.4
694.25330	1.1
702.20172	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99924	1.5
59.01242	96.7
59.02383	1.8
61.98692	2.6
65.49712	1.2
96.95903	1.5
108.67863	1.5
109.02795	2.5
121.02769	3.1
123.04426	3.9
137.02318	5.7
149.02289	8.2
150.03142	5.4
151.03867	4.3
159.01212	1.6
162.03119	14.6
165.05495	3.9
177.01848	41.3
177.05466	5.2
178.02614	45.3
179.03389	9.9
180.04190	43.7
183.31557	1.6
191.03395	3.6
192.04202	44.8
193.04987	100.0
194.05724	3.5
195.06554	82.3
245.11873	5.8
247.13387	12.6
295.19025	1.7
297.07578	4.8
357.09760	12.2
387.10693	2.4
395.54889	2.3
411.18710	1.7
441.19031	4.8
547.19647	1.7
615.22235	2.5
633.23773	2.2
662.56610	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	694.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14010	0.5
56.97897	0.9
58.02832	1.9
58.72952	0.5
59.01231	1.0
65.88531	0.6
68.44624	0.5
70.13322	0.5
74.02325	4.9
82.01084	1.1
86.02319	2.4
87.05490	1.1
97.01031	2.1
97.03947	0.8
99.05501	5.1
102.05459	1.3
103.02005	1.0
108.02048	0.7
109.01038	1.3
109.02794	3.1
112.03830	0.6
121.02832	1.7
122.06939	0.7
122.98979	1.6
123.99745	2.6
125.00523	2.8
128.03409	15.2
134.03592	2.2
135.05499	1.6
137.00557	3.0
139.99289	4.2
143.04510	25.8
145.06055	1.1
146.04483	1.6
151.99281	1.8
153.00043	11.4
153.06509	0.9
154.00810	2.3
166.00853	1.5
166.09755	1.2
167.01619	1.8
167.04558	1.1
167.08179	0.8
167.98785	1.3
177.03685	0.9
179.04561	3.4
180.02539	0.8
193.03061	0.7
208.05574	1.2
210.08774	4.9
225.11314	1.2
254.07880	10.8
272.08899	55.1
306.07645	2.2
343.26471	4.3
347.24515	1.3
359.24307	4.6
375.23660	8.3
376.24261	0.9
377.25223	16.6
403.23135	100.0
404.23511	4.4
421.24225	46.3
422.24515	1.6
491.52380	0.8
512.31805	0.7
536.01709	0.7
650.35199	2.5
694.33752	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	695.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23984	0.1
59.01241	1.1
63.58989	0.1
67.01730	0.3
69.03291	0.1
69.98568	0.1
71.01228	0.7
73.02806	0.1
78.50423	0.1
78.95742	0.6
79.88437	0.2
81.03321	0.3
83.04871	0.3
84.79971	0.1
85.02806	6.8
87.00729	1.3
89.02310	0.1
89.24573	0.1
93.03310	2.3
96.04440	0.2
96.96810	0.2
99.04371	0.3
109.02815	0.5
111.04385	1.1
127.03869	1.5
129.98766	0.1
171.02898	0.6
173.04449	1.0
191.05533	100.0
191.12280	1.1
192.05841	0.5
198.90518	0.4
231.03493	0.3
290.91693	0.2
316.82272	0.2
319.72931	0.2
334.83533	0.2
338.97159	0.2
353.10712	0.2
367.59634	0.2
405.08914	0.3
506.42377	0.2
645.93579	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36136	0.7
50.67985	0.9
51.64159	0.7
58.99870	1.0
59.01242	100.0
59.02445	1.7
61.75814	0.8
61.98687	1.3
67.34088	0.8
71.59906	0.9
121.75437	1.0
126.30675	1.1
137.02347	1.2
150.03065	2.9
151.03922	4.1
155.72971	1.0
162.03105	7.8
165.05475	5.4
177.05441	2.4
179.03389	4.1
179.84596	1.1
180.04192	22.4
180.05644	0.8
184.08488	1.0
194.05753	3.9
195.06558	57.8
229.74078	1.2
245.11861	2.7
247.13371	2.2
256.38400	1.1
261.11401	1.5
291.44476	1.1
373.12933	2.0
583.51935	1.3
707.88525	1.1
715.81104	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20837	0.7
58.99995	1.1
59.01242	55.0
60.01590	0.9
61.71094	0.8
73.23308	0.9
74.30880	0.9
77.17493	0.8
96.95889	1.6
124.01564	1.0
149.02315	1.2
150.03111	5.8
150.89281	1.0
151.03911	3.8
162.03107	11.5
163.03903	1.2
165.05424	8.1
176.01012	1.4
177.05499	2.3
178.02623	2.0
179.03430	9.5
180.04196	31.2
193.04926	4.6
194.05788	8.2
194.99139	1.2
195.06557	100.0
196.06953	1.3
229.12219	1.8
291.44431	1.5
302.11166	1.3
317.10403	1.2
317.14047	4.4
359.11450	2.7
371.11453	1.7
389.12399	1.8
393.17209	2.5
423.18323	2.8
441.61545	1.2
527.75397	1.5
617.24054	2.6
635.24072	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28418	1.0
53.04181	1.0
53.44702	0.9
53.56448	1.2
53.65333	0.9
57.81242	1.2
59.01242	100.0
59.02493	1.5
61.98687	1.8
62.00066	1.0
97.63045	1.1
109.02792	1.8
130.40189	1.2
150.03104	1.7
151.03880	1.6
156.93980	1.3
162.03145	1.6
179.03421	5.4
180.04236	7.9
193.05025	2.0
194.05797	4.1
195.06566	16.9
213.39857	1.8
244.84666	1.5
247.13435	5.0
266.55124	1.2
273.43079	1.2
595.07019	1.4
651.41534	1.5
652.17731	1.9
673.84436	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12949	0.6
55.54765	0.6
55.93246	0.5
59.30480	0.7
69.35764	0.6
70.68736	0.5
75.87124	0.5
85.62310	0.5
86.87653	0.6
89.68948	0.6
91.01754	1.7
93.03322	2.2
95.01245	0.6
108.02030	16.0
109.02828	1.4
109.67286	0.6
110.41395	0.6
111.00774	1.0
121.02820	13.0
122.03609	7.0
123.04389	16.9
124.01460	0.8
125.02318	0.7
133.02846	1.4
136.01569	0.7
148.34303	0.8
149.02335	34.1
150.03116	82.2
150.07916	1.2
150.96976	0.6
151.03807	2.3
152.01041	40.9
164.04668	8.8
165.05470	100.0
166.05804	0.7
167.03401	97.5
180.04169	7.7
181.04976	2.1
195.06557	54.8
196.06932	0.9
197.05867	0.7
208.05234	1.2
209.05995	0.8
212.04706	0.8
213.05650	1.3
224.02748	0.7
224.04697	3.0
225.73036	0.7
241.05035	1.1
256.07422	16.0
270.76572	0.7
271.06903	1.0
271.09711	6.8
272.07068	0.8
300.06390	2.3
315.08771	56.7
316.09106	1.5
362.72137	0.7
363.10892	60.9
364.11130	0.9
397.69736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30915	0.7
55.72867	1.2
59.01242	14.3
61.67905	0.9
71.01231	4.8
73.02776	1.9
78.95687	0.8
83.01237	2.1
83.04877	9.4
84.02019	1.0
85.02818	1.8
87.00717	1.8
87.11822	0.9
89.02270	5.9
101.02293	7.2
109.06448	1.3
113.02297	4.1
135.08009	2.1
145.04915	1.5
147.70164	1.0
161.04425	2.3
163.07417	1.6
165.12782	5.8
167.10655	1.2
181.08609	54.7
183.13820	100.0
183.20753	1.3
184.14194	1.0
188.71643	1.0
199.09698	4.1
209.11720	2.1
227.12900	5.8
235.08179	6.6
249.18599	29.9
253.09293	13.4
277.21732	94.3
278.22095	3.8
348.53107	1.3
445.21515	2.0
463.21820	4.4
695.40149	66.4
696.40381	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	697.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99920	1.2
59.01242	100.0
59.02420	2.1
61.98693	1.8
62.38394	0.5
63.39958	0.5
63.57201	0.7
63.57503	0.5
79.98473	0.6
91.45849	0.6
96.95869	0.8
150.03160	0.8
152.79314	0.6
153.85428	0.7
162.03157	1.4
165.05553	1.2
172.64391	0.5
176.04755	0.7
177.05692	0.7
179.03487	1.6
180.04268	2.5
181.04620	0.9
193.05072	0.9
194.05710	3.2
195.06538	8.2
196.06961	2.7
197.07138	1.1
209.08215	1.6
217.00525	0.7
250.41946	0.7
354.74548	0.7
609.22528	0.8
693.88287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78655	0.8
56.75831	0.9
59.01234	2.2
61.98687	8.9
62.35437	0.9
66.03379	1.0
70.00138	0.9
74.22745	1.0
80.42628	0.9
82.02843	5.3
91.73365	1.1
93.86382	1.0
94.02857	1.1
96.04430	1.4
112.03915	1.3
120.04403	3.7
121.06458	1.2
122.05998	2.2
129.05458	4.1
132.04526	1.1
132.51843	1.1
136.07562	2.7
138.09109	2.2
147.04370	1.1
147.05508	1.3
148.03922	37.5
149.04713	1.5
150.04356	1.9
150.05495	23.1
154.05014	2.4
160.02765	1.7
160.03941	10.0
161.04716	65.7
162.05461	4.5
164.03391	2.6
172.05290	1.2
173.03500	3.9
173.04782	2.2
173.06030	1.4
174.04236	9.6
174.05574	4.1
175.05034	65.6
176.05798	6.0
179.08224	1.3
187.06346	3.6
189.06624	4.2
190.07394	11.0
191.08144	8.4
200.06851	1.5
201.07837	3.2
201.09364	1.9
202.03563	1.4
202.08791	12.9
203.04523	13.5
203.08090	2.1
204.06760	1.2
214.05150	1.4
214.11028	1.5
215.05849	1.2
215.08257	1.2
216.06613	4.5
217.07597	1.3
219.11313	1.0
226.08588	2.4
227.03435	4.5
228.06667	2.7
229.07449	2.3
231.07713	3.3
232.08505	13.2
233.06960	2.3
233.09273	35.4
242.08279	1.8
243.07527	1.7
243.11276	1.1
244.09821	82.3
245.09219	9.6
246.87242	1.1
255.02982	6.6
261.12500	1.1
262.09631	1.2
263.10318	2.1
267.18729	1.2
281.09351	1.5
284.03238	12.0
285.04010	3.4
285.08908	1.3
286.09567	4.5
287.10376	8.7
287.14011	2.8
288.08783	12.9
295.10995	3.4
305.11462	20.7
312.13757	2.1
338.11475	9.3
339.12042	1.6
370.17758	3.7
400.18655	1.9
424.18781	1.8
442.19696	6.9
454.19928	2.1
467.17084	2.5
468.17767	100.0
469.17975	5.1
472.20953	16.9
605.26184	30.0
606.26385	2.2
617.26062	1.3
635.16345	10.1
635.27307	49.4
636.27740	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	699.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82145	0.6
60.99165	0.9
71.01252	0.6
83.38790	0.5
88.98666	4.6
93.64740	0.6
103.59234	1.2
103.59872	1.4
107.01260	2.1
108.02010	0.7
109.02821	1.3
121.02837	1.3
148.01534	1.3
151.00261	8.9
163.00223	1.5
164.01151	0.7
178.48390	0.7
178.99782	4.6
187.04150	0.8
199.77547	0.6
211.03896	1.6
227.03397	1.3
243.02966	7.8
245.04376	1.1
254.02194	1.9
255.02972	21.8
266.35788	0.6
271.02490	44.6
272.03183	3.1
283.02518	1.3
286.81448	0.7
299.01819	1.3
300.02756	88.4
301.03531	29.7
308.01245	0.7
343.04501	1.0
544.88849	0.9
609.14655	100.0
610.15222	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	699.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00636	1.2
54.29010	1.3
58.00475	2.3
59.00043	2.2
59.01244	84.1
59.02247	1.5
64.90848	1.3
65.82822	1.4
68.27292	1.5
69.03297	2.5
70.99679	1.7
71.01242	69.7
72.99166	3.7
73.02801	5.7
81.03326	3.0
83.01246	5.8
85.02809	10.7
85.14488	1.4
87.00755	3.6
89.02299	100.0
89.04203	1.6
95.01247	3.5
97.02805	2.8
99.00731	2.9
101.02307	39.6
109.02776	1.7
111.00858	1.7
113.02311	26.7
119.03370	37.7
121.02815	7.3
122.03603	11.4
125.02322	31.3
131.03363	5.5
132.19972	1.5
135.04442	1.9
137.02335	4.7
139.03902	2.8
141.01776	2.1
143.03406	13.2
146.03627	17.1
149.04457	5.1
150.03087	2.7
151.03880	2.9
152.42801	1.4
161.04469	15.7
161.05992	5.9
163.03920	2.3
164.04720	11.2
164.36510	1.7
165.05516	6.8
166.02722	1.7
167.03433	3.0
175.03880	4.5
176.04744	6.5
177.01811	7.9
178.02682	1.9
179.05537	69.1
179.07068	25.3
180.04204	33.6
190.06401	1.5
191.07083	11.5
193.04985	4.2
195.06564	38.8
195.12617	2.2
207.06476	2.2
212.94212	1.9
217.93628	1.8
221.06615	16.7
231.06647	1.9
263.07608	7.6
290.26910	1.6
323.09875	55.3
323.13751	2.6
327.12326	2.3
345.13556	2.2
349.90152	1.7
375.14496	6.9
382.02869	1.9
519.17285	2.5
537.20068	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	699.251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52629	2.2
55.01756	3.1
55.43380	2.0
57.03311	5.3
59.01242	91.9
62.96930	2.2
71.01237	90.0
72.99142	6.5
73.02800	18.9
81.03299	4.4
82.37721	2.6
83.01241	15.4
85.02799	48.7
87.00717	17.0
89.02295	82.3
89.02840	4.2
89.87212	2.7
95.01251	6.8
96.95895	3.5
97.02818	12.2
99.00742	24.2
101.02296	85.8
109.02824	8.8
111.00738	8.0
113.02308	52.0
115.74013	2.9
115.74880	2.5
119.03368	35.9
121.02842	9.1
122.03605	20.7
123.04408	3.9
125.02312	39.1
131.03397	11.0
134.03517	2.6
135.04402	4.6
137.02344	7.8
137.26233	3.0
139.03871	3.6
141.01808	4.2
143.03383	28.0
145.05051	4.3
146.03629	45.5
147.04424	3.1
149.04420	3.6
151.00253	4.5
153.01871	5.1
159.02959	4.4
161.04469	55.0
161.05978	12.0
163.03848	3.6
164.04680	26.4
165.05498	8.4
167.03424	4.7
175.03915	10.3
176.04733	19.2
177.01840	5.9
179.03748	4.1
179.05524	32.9
179.07072	61.2
180.04179	29.1
190.06317	3.3
191.07071	22.8
192.04184	6.5
195.06581	28.7
203.05525	3.5
207.06609	9.9
221.06606	45.1
245.06622	31.9
256.42767	3.0
263.07727	35.6
277.66064	3.2
287.07816	4.5
305.08862	8.0
323.09851	100.0
327.12399	4.5
345.13492	7.2
347.11816	3.5
349.18723	27.1
375.14420	29.4
477.17722	12.5
489.17712	9.8
519.17352	6.7
669.24146	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	699.251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41661	1.5
57.03315	1.9
59.01241	40.9
71.01236	48.9
73.02806	8.7
81.03331	3.0
83.01229	10.9
85.02802	30.2
85.40841	1.8
87.00735	6.1
89.02293	37.5
95.01232	5.5
96.95860	2.4
97.02813	3.1
99.00735	23.2
101.02298	44.3
102.71890	1.6
109.02843	4.3
113.02307	41.2
119.03350	13.3
122.03701	2.5
125.02312	8.5
137.02321	7.7
139.03900	2.3
143.03354	12.3
146.03627	16.2
147.04391	2.3
161.04465	45.2
161.05832	4.3
164.04716	10.5
167.03418	3.6
175.03896	2.9
176.04686	6.7
177.01828	4.4
179.05545	9.1
179.07076	13.0
179.70872	1.9
180.04216	7.6
189.07552	3.1
189.94435	1.9
191.07065	7.6
195.06552	9.3
207.61073	2.1
221.06644	6.0
234.46931	1.9
305.06805	5.8
323.09857	100.0
355.04391	2.4
375.14645	4.2
438.36835	2.4
651.37177	2.5
666.46265	2.1
699.25122	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	699.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.0
59.35507	0.4
62.63020	1.2
62.63308	0.9
65.65772	0.4
65.85139	0.5
71.01255	1.2
79.65593	0.5
85.02790	0.4
101.02303	0.6
104.48921	0.5
108.02060	0.4
117.96992	0.4
121.02794	3.0
122.03607	11.8
124.01535	0.9
125.02357	0.5
134.03610	0.9
135.04362	1.1
136.01576	0.9
137.02332	1.6
145.02858	0.7
146.03621	29.9
147.04301	0.9
149.05949	0.9
150.03128	2.0
151.03893	0.8
154.02577	1.2
161.02361	1.8
161.04536	1.0
161.05965	12.2
162.03052	0.5
163.03931	1.2
164.04691	24.5
165.05489	3.6
175.03902	4.4
176.04707	13.1
177.05464	0.7
179.07051	86.4
180.04204	15.9
180.05809	0.6
180.07449	0.7
189.05489	0.8
190.06250	2.0
191.07062	24.7
192.04221	1.1
195.06555	42.3
207.06581	5.0
233.10181	0.8
245.84264	0.5
266.37729	0.5
279.06656	1.3
293.14990	1.5
294.08609	0.5
297.11337	1.4
312.10046	1.7
327.12442	11.4
345.13449	12.0
357.12225	2.8
360.12137	3.1
375.14514	100.0
376.14999	0.7
453.15097	0.6
537.19977	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	699.3885
Annotation	Methylenediboviquinone-3,3
Peak:m/z	Relative Intensity
53.06067	0.8
62.08119	0.9
62.89978	0.7
69.28751	0.8
75.30191	0.8
78.95763	100.0
78.97570	1.4
86.61128	0.9
96.96827	5.9
108.38963	1.0
112.50985	1.0
138.37833	1.0
152.99467	17.0
180.97566	1.2
185.13901	0.9
200.95381	4.4
221.15480	2.7
233.40930	1.0
239.16490	20.2
239.18684	1.6
247.13335	1.6
265.14444	10.6
279.23373	8.3
283.15579	2.8
366.93900	2.3
401.13348	1.8
415.22122	1.3
419.14844	12.1
437.15854	1.7
532.99701	1.2
681.37518	1.7
699.38757	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39233	0.3
57.99538	0.3
58.47024	0.3
59.00150	0.4
59.01242	20.9
59.02444	0.4
63.04954	0.3
65.99207	0.3
69.03318	0.4
71.01240	1.9
73.02807	0.8
78.95765	0.7
81.32594	0.3
83.01217	0.3
85.02798	0.5
87.10403	0.4
89.02293	1.4
91.72684	0.3
95.04903	0.8
97.06450	3.3
99.08019	1.4
101.02295	2.3
101.20818	0.3
107.21252	0.5
113.02318	1.0
119.03367	0.5
125.05956	33.8
126.06281	0.4
143.07019	78.4
143.11678	0.9
144.07350	1.0
145.05052	0.4
152.99481	0.4
161.02299	0.5
161.04445	0.6
172.12257	0.3
172.60414	0.3
184.85910	0.4
189.73087	0.3
191.20296	0.3
233.22705	0.5
235.08220	3.0
253.09290	7.7
254.41791	0.3
275.20093	0.5
277.21732	100.0
277.34271	0.9
278.22034	2.5
297.03760	0.4
361.15070	0.6
451.04715	0.5
513.31018	1.0
699.45465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25332	0.7
64.63969	0.7
84.21891	0.8
154.88321	0.8
158.54874	0.8
189.03593	1.6
190.29848	0.9
207.28732	0.9
295.70831	0.8
323.07501	1.5
371.23965	11.6
401.56308	0.9
460.46964	0.8
475.23169	0.9
510.33279	0.9
517.27771	2.3
641.79230	0.9
698.48273	1.2
699.48126	100.0
700.48572	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	699.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69609	1.0
78.95755	4.8
102.51062	1.4
106.63570	1.2
128.50311	1.2
140.05486	1.2
152.99469	8.2
164.70625	1.3
201.42021	1.3
246.66266	1.3
300.11298	1.3
370.24408	1.8
371.23984	15.4
415.41397	1.5
463.20694	5.8
517.27472	3.0
601.38477	1.5
699.48120	100.0
700.48413	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	701.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76932	0.5
61.10443	0.3
64.08776	0.3
72.27985	0.3
72.45168	0.3
77.14777	0.3
82.61971	0.3
83.04881	0.8
91.05396	0.4
92.50651	0.4
93.03320	0.6
101.07238	0.3
103.87791	0.3
108.02048	0.7
109.02813	25.0
119.04888	4.4
121.02814	3.0
123.04384	2.3
125.02270	0.4
129.03339	8.0
130.04100	1.2
130.45650	0.4
131.04852	0.5
135.04410	1.2
145.02850	5.8
146.03618	8.9
147.00102	1.0
147.04405	100.0
147.09389	1.0
148.04726	1.8
158.03618	0.9
159.04411	18.7
160.04706	0.4
161.02356	0.5
163.11180	0.9
186.34428	0.3
193.12308	0.5
194.80316	0.3
203.03514	0.5
208.78314	0.3
241.08754	0.4
251.07088	0.9
252.07895	0.8
254.05829	0.5
267.06693	0.5
269.08203	60.0
270.08472	1.6
299.11761	0.4
313.07202	28.8
313.22519	0.4
314.07388	1.0
343.10257	0.7
380.79684	0.3
435.38541	0.4
445.43930	0.3
666.82056	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89156	0.6
52.42678	0.5
55.01749	1.2
57.03038	0.7
57.03316	12.7
57.65844	0.6
57.86655	0.6
59.01243	18.8
59.04013	0.6
64.50796	0.6
69.03301	0.9
71.01238	24.1
71.04864	1.1
72.99151	1.1
73.02811	7.3
76.87298	0.6
81.03315	1.2
83.01247	4.6
83.83679	0.7
85.02808	12.0
87.00720	1.7
89.02300	6.6
93.03311	1.5
95.01234	1.6
96.95831	1.0
97.02830	3.7
99.00733	4.6
99.04374	1.8
101.02306	18.0
109.02805	1.5
111.00695	0.9
113.02304	9.2
115.03848	0.7
119.55657	0.8
124.01540	2.3
125.02310	5.6
131.03322	1.2
134.03601	1.2
135.04428	1.3
138.90616	0.7
143.03375	2.1
147.08034	1.5
159.02890	1.3
161.04495	5.8
178.02666	0.9
180.04037	0.8
193.05011	1.0
255.03032	0.8
256.47104	0.9
263.12936	3.4
270.05508	1.3
285.03775	1.0
287.02042	1.0
369.02570	1.0
381.19485	1.1
413.01678	1.2
414.04733	1.0
425.18216	3.0
447.11783	0.9
491.13467	0.9
507.14047	1.6
539.21503	4.8
557.22412	100.0
558.22839	4.4
599.23560	37.7
600.23962	2.5
639.26599	4.5
701.16779	6.0
701.27625	3.0
702.18597	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74963	1.1
73.02801	1.4
75.08087	1.2
85.03930	3.1
87.05484	5.8
96.95885	4.6
97.03947	1.5
111.75831	1.4
113.03419	3.1
115.08634	4.9
122.04726	1.8
129.10211	5.3
139.08661	3.6
140.07059	3.3
141.06560	1.8
145.02870	1.5
153.10243	1.7
155.08173	2.3
155.11789	5.2
165.10252	8.4
166.07417	1.6
167.08173	4.3
169.09657	1.5
173.04431	1.9
180.20586	1.2
181.09784	2.6
182.12856	5.9
183.11308	2.0
184.10809	3.3
193.13362	1.7
197.16547	5.0
200.13948	9.7
207.15059	1.5
209.56102	1.5
211.14499	2.4
228.17195	2.3
268.20386	6.7
268.94089	1.5
281.19766	10.5
299.20850	4.2
325.18777	3.1
367.27777	1.4
368.23099	22.8
407.26392	2.3
577.37219	100.0
578.38159	1.9
641.37189	17.4
656.88806	1.5
696.03162	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	701.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03293	1.1
57.72771	0.9
59.01233	1.2
62.73607	1.0
62.84001	1.2
64.94711	1.0
85.65406	1.1
95.35065	1.1
96.65686	0.9
101.47772	1.1
202.95087	1.4
221.19057	1.4
223.20638	100.0
224.20984	2.2
241.21741	1.8
243.86987	1.1
267.19681	74.6
267.30881	1.4
269.02908	1.1
285.20731	90.5
286.21277	2.0
315.83780	1.4
359.19766	1.6
359.24420	30.5
609.43420	1.9
627.44885	16.8
701.48590	64.9
702.48590	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	702.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00985	0.6
57.45634	0.6
59.01237	1.5
61.73001	0.6
61.76107	0.6
61.98407	1.0
61.98693	12.9
67.87309	0.7
107.01248	0.8
108.71521	0.7
108.74432	0.8
111.74728	0.7
128.03206	0.7
151.00212	5.4
163.00220	1.7
178.99803	4.8
183.10184	0.9
187.03964	1.5
187.77367	0.7
189.01709	0.8
199.03908	1.2
201.01956	0.8
201.11255	2.8
203.03452	2.9
215.03436	2.2
231.02933	2.2
240.02841	0.7
242.02145	1.5
243.03033	5.3
243.12422	1.7
259.02472	9.2
269.00528	0.9
270.01678	2.2
271.02478	16.3
285.03680	1.0
286.01138	1.9
287.01993	26.4
288.02841	1.2
301.03400	2.1
315.01468	40.5
316.02231	34.7
317.02664	1.9
330.03824	52.8
331.04599	33.9
365.75919	0.9
483.18915	0.7
639.15704	100.0
640.15814	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	703.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83393	0.4
56.30328	0.2
57.03314	0.5
59.01244	0.4
63.19175	0.2
65.26862	0.4
71.01220	0.4
89.02285	0.4
93.03316	0.6
96.95853	0.5
101.02289	0.4
103.05411	0.3
108.02045	1.2
109.02813	68.3
109.05868	0.8
110.03153	0.5
115.05371	0.5
119.04894	1.5
121.02818	1.5
123.04405	1.7
125.02341	0.3
129.03325	2.6
130.04109	1.0
131.04897	1.3
135.04411	1.9
137.02315	1.0
144.02794	0.3
145.02872	0.6
146.03622	2.5
147.04405	26.6
148.04742	0.4
149.04414	0.5
158.03639	3.2
159.04410	100.0
159.09781	1.1
160.04771	1.0
161.05898	0.8
175.03867	0.9
199.07634	0.3
219.02930	0.6
222.06665	0.3
223.07640	0.5
225.05811	0.3
237.05542	0.3
239.07037	0.3
241.05070	0.3
250.06265	0.3
251.07085	0.9
252.07895	2.6
254.05815	0.5
267.06653	0.4
268.07462	1.1
269.08203	41.6
270.08521	0.6
357.06256	2.8
359.42249	0.3
521.71594	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27984	0.4
53.02480	0.4
53.27597	0.4
66.19335	0.3
66.96203	0.5
72.53087	0.9
72.53430	0.4
76.56048	0.8
76.56473	0.5
78.95754	1.1
83.72686	0.8
91.57476	0.6
91.73365	1.1
92.02564	1.1
93.03329	0.6
97.43704	0.6
100.13981	0.5
106.04087	2.8
108.02029	14.0
108.04432	0.5
119.04887	1.1
121.02814	20.3
122.03629	5.2
134.03580	1.4
135.04382	1.2
135.31555	0.5
137.02306	0.8
152.01028	2.0
152.99480	0.6
193.27051	0.4
201.63228	0.5
220.14626	0.5
247.20650	100.0
248.18250	0.6
248.20972	2.7
257.34680	0.6
288.20932	0.8
291.19662	64.4
292.19980	2.2
306.79080	0.5
344.27234	15.0
345.27991	86.0
346.28357	3.6
377.26947	0.8
389.26981	62.9
390.27271	2.9
703.45575	43.7
704.45563	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	704.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02514	1.8
53.04358	2.1
61.51240	2.5
78.53612	2.3
78.95770	35.4
96.96797	3.0
99.92398	12.3
100.93182	3.0
107.59906	2.5
115.91908	3.4
124.64899	2.6
146.52472	3.1
152.99454	8.4
177.15135	2.8
204.95753	4.8
205.96666	8.8
217.96724	30.2
222.96933	3.5
231.98305	5.0
244.35991	3.1
255.23241	8.3
260.01431	4.8
275.23779	7.3
288.04742	4.8
312.00870	6.5
316.07779	3.5
317.24622	4.6
319.22626	3.8
344.10449	3.4
362.24246	3.6
372.13925	8.0
374.15524	54.3
376.16766	4.4
393.07828	3.8
402.15149	32.7
404.16989	4.6
443.88516	2.9
498.09201	3.4
634.40161	9.3
650.14142	3.5
660.38300	12.4
704.37305	100.0
705.38300	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	705.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51389	0.2
53.35660	0.4
57.73843	0.5
57.74086	0.4
59.01229	0.6
59.54148	0.2
63.94217	0.2
64.26649	0.3
69.03313	0.4
72.99162	0.9
73.02826	0.3
73.42394	0.3
81.01486	0.7
81.03311	39.8
81.05357	0.5
82.03617	0.5
93.03329	0.5
97.02790	0.4
99.07997	0.9
107.04866	0.4
113.02311	2.2
116.94213	0.3
120.01108	0.4
123.08028	0.9
125.02319	2.5
125.05951	2.5
135.04376	0.4
136.05180	3.5
137.09570	2.1
173.04453	1.0
191.05507	0.4
193.05516	1.0
193.12262	100.0
193.19887	0.7
194.12566	2.7
219.10260	0.4
223.56987	0.3
237.11279	18.9
238.11664	0.4
281.10303	33.8
282.10587	1.2
296.12640	0.5
296.62784	0.7
343.69687	0.3
351.14441	0.7
363.86423	0.3
367.13998	3.4
375.21780	0.6
395.13284	0.5
423.13037	1.4
444.20148	0.3
544.55029	0.3
653.07941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98684	1.6
71.17750	0.7
75.80704	0.7
76.80698	0.7
88.09206	0.8
92.02551	0.8
96.76944	0.8
106.04122	1.8
107.04901	5.3
114.20737	0.9
119.04890	14.2
120.05233	0.8
121.02807	5.7
133.06445	2.7
133.78719	0.8
152.99481	1.1
161.09525	0.8
164.12637	0.9
203.14320	1.6
204.84143	0.9
225.12747	0.9
249.39827	0.9
281.19193	0.9
286.44586	0.9
295.20697	5.7
297.22247	47.9
298.22787	1.9
325.50970	0.9
341.21228	100.0
342.21732	4.4
429.40945	0.8
450.53204	0.9
588.45551	1.1
631.27942	1.0
673.29443	1.1
705.41425	16.6
706.41638	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	705.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	39.8
61.98707	100.0
66.37096	38.2
72.09135	43.4
75.90844	37.2
90.02309	38.2
91.72794	39.3
97.86918	39.9
102.48443	38.9
111.81696	40.9
118.85108	41.0
168.45580	38.9
185.94658	47.6
203.80803	42.1
210.42186	42.0
234.54091	44.6
260.48535	51.8
653.38605	49.6
727.84277	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
71.65460	0.1
79.95588	1.9
84.23360	0.1
90.80857	0.1
96.93405	1.5
96.95868	100.0
96.98694	0.8
97.95802	0.2
109.28937	0.1
114.79912	0.1
125.02280	0.6
176.48318	0.1
177.01860	0.2
197.75395	0.1
241.16023	0.2
255.02852	0.2
299.90781	0.1
305.06631	0.2
312.28256	0.1
423.07339	0.3
441.08130	0.4
609.12256	0.2
626.60455	0.1
729.72107	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46998	1.1
57.03321	6.8
63.90967	0.7
65.77537	0.8
81.03326	1.9
83.01247	2.4
93.03327	1.8
95.01241	1.1
95.04900	1.5
96.95874	13.9
97.02833	1.6
105.03336	0.9
107.04829	0.8
109.02832	8.6
111.00781	1.4
111.04361	6.0
121.02831	4.9
123.00747	2.0
124.01534	2.9
124.04185	0.9
125.02316	100.0
131.04889	1.1
133.02808	1.8
137.02328	24.4
138.03055	2.2
139.03891	14.0
147.04399	1.2
149.02339	6.1
149.05963	0.9
151.03871	4.2
159.04358	1.1
161.02319	2.3
163.00255	1.7
163.03905	2.1
164.01031	4.2
165.01822	14.9
167.03404	15.6
171.04343	1.2
175.03926	8.9
177.01851	79.4
177.05403	2.7
178.02565	0.9
179.03410	13.7
187.03932	3.6
191.03522	1.3
191.05490	1.8
191.07056	1.3
193.05035	1.4
199.04028	2.2
201.05513	2.2
203.03450	3.4
204.04167	2.0
205.01416	2.2
211.03955	2.5
213.05527	1.2
215.03445	3.4
217.05013	2.5
219.03084	1.3
219.06563	10.0
221.04471	5.3
227.03517	2.5
228.04315	1.7
229.04974	4.7
231.06796	1.0
243.02988	6.9
245.04724	1.2
255.02989	22.4
256.03802	5.6
257.04550	2.7
261.03973	4.9
261.07715	3.2
269.04501	3.2
273.04181	4.3
283.02545	12.5
285.04074	4.3
287.05685	1.1
297.04080	8.7
303.05099	8.8
305.06686	52.7
315.05136	2.1
355.08224	3.0
365.10962	1.6
397.09467	1.2
417.89462	1.2
423.07251	86.5
424.07462	2.9
441.08276	48.5
442.08640	2.5
483.09409	9.3
591.11432	1.7
600.20514	1.2
609.12640	43.5
610.12891	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	707.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61959	0.1
59.01227	0.1
59.14789	0.1
67.60966	0.1
79.95580	1.7
85.02795	0.1
96.93557	1.1
96.95865	100.0
96.98519	1.3
106.52559	0.1
107.01300	0.2
107.36968	0.1
151.00252	0.4
154.19638	0.1
154.21002	0.1
200.22086	0.1
255.03000	0.5
271.02606	0.9
300.02740	2.1
301.03522	0.9
491.37585	0.2
609.14618	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	707.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
67.64055	0.1
69.05849	0.1
72.27917	0.1
76.92319	0.2
79.95601	1.6
96.93388	1.5
96.95871	100.0
96.98640	0.9
130.04910	0.1
138.06870	0.1
151.00259	0.4
178.99791	0.3
219.75974	0.1
233.52147	0.2
243.03041	0.4
254.02133	0.2
255.03027	1.1
271.02515	2.8
300.02756	5.6
301.03488	0.4
438.01648	0.1
609.14606	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	707.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02340	0.4
55.09649	0.5
55.56462	0.7
55.87218	0.4
56.33263	0.5
57.03319	0.4
59.00975	0.5
59.01243	6.1
67.01750	4.1
69.03304	0.7
71.01220	0.6
72.99158	1.4
73.02806	3.0
80.27457	0.5
81.03308	1.2
81.67005	0.4
83.04867	0.8
91.73354	1.4
95.04864	0.5
96.95886	0.8
99.00101	0.5
99.00739	9.3
99.04367	0.7
99.08011	8.5
99.37842	0.5
101.05930	1.1
107.04877	0.5
109.02814	0.7
109.06453	8.9
111.00739	5.3
114.37319	0.5
117.01775	0.7
121.02822	0.6
122.03577	1.8
125.02312	0.5
127.03819	0.7
127.07520	0.5
137.05994	0.7
139.11171	1.3
149.09593	0.6
151.11147	0.6
159.06982	0.6
165.09079	0.8
171.04349	0.5
173.04475	0.9
177.09070	0.6
177.12769	1.4
179.10696	27.0
183.10191	1.9
186.06796	1.7
191.05571	0.7
191.80356	0.5
195.13835	5.7
197.11858	0.5
215.14372	1.6
221.11798	2.6
223.09697	6.3
225.11238	0.6
231.10143	0.7
233.15504	1.2
239.12885	15.8
239.16545	0.6
243.13922	4.4
261.15005	1.5
277.14450	0.9
281.13931	0.9
283.11887	100.0
284.12271	1.5
287.12903	6.7
305.13898	1.2
349.13065	3.4
362.47107	0.5
367.13989	15.8
395.13443	0.8
423.13043	6.4
437.55646	0.6
663.36493	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51143	2.5
59.01236	7.4
70.30296	3.1
76.02721	2.8
85.02796	3.2
85.08168	2.7
96.95878	4.2
104.31637	3.3
171.91104	3.6
191.05524	47.6
191.08487	3.1
193.14082	3.3
194.27319	3.4
209.48730	3.6
224.64224	3.4
227.03479	80.2
228.38214	3.4
241.92325	3.1
255.02977	100.0
256.03674	11.4
268.17188	5.0
268.77716	3.5
269.85513	3.2
284.03296	64.4
285.03915	22.4
336.97800	4.0
407.25824	4.2
416.22345	4.0
534.38947	4.5
584.17969	3.9
642.68652	3.9
658.65387	4.8
682.44904	4.6
707.30688	94.4
708.30878	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	709.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62943	1.1
56.11933	1.0
57.03304	6.3
63.74078	1.1
74.36919	1.2
81.03333	1.7
83.01242	1.8
96.95857	1.6
97.02780	2.4
102.98473	1.5
109.02827	3.0
111.04370	2.3
116.68400	1.1
117.27388	1.2
121.02802	1.6
123.00754	1.9
124.01514	1.6
125.02316	100.0
126.02649	1.9
137.02328	11.4
139.03864	3.1
149.02318	2.3
156.07127	1.4
165.01834	5.5
167.03421	5.0
173.21457	1.5
173.73862	1.3
175.03928	4.6
177.01834	18.7
177.05405	1.3
179.03407	4.4
181.05060	1.5
189.01941	1.8
201.05611	1.5
215.46756	1.4
217.01442	1.4
218.23637	1.5
219.06606	3.4
225.04002	30.0
243.02995	2.4
255.03015	3.7
256.03876	1.6
257.04391	1.9
261.03952	2.2
271.07022	1.3
273.03970	2.4
285.03940	1.6
297.03894	2.1
303.04807	1.9
305.06735	22.3
361.05432	2.4
373.05722	1.9
399.07095	1.7
403.06708	5.5
423.07483	7.3
483.09280	3.1
523.08704	9.9
541.10291	9.6
709.13623	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62943	1.1
56.11933	1.0
57.03304	6.3
63.74078	1.1
74.36919	1.2
81.03333	1.7
83.01242	1.8
96.95857	1.6
97.02780	2.4
102.98473	1.5
109.02827	3.0
111.04370	2.3
116.68400	1.1
117.27388	1.2
121.02802	1.6
123.00754	1.9
124.01514	1.6
125.02316	100.0
126.02649	1.9
137.02328	11.4
139.03864	3.1
149.02318	2.3
156.07127	1.4
165.01834	5.5
167.03421	5.0
173.21457	1.5
173.73862	1.3
175.03928	4.6
177.01834	18.7
177.05405	1.3
179.03407	4.4
181.05060	1.5
189.01941	1.8
201.05611	1.5
215.46756	1.4
217.01442	1.4
218.23637	1.5
219.06606	3.4
225.04002	30.0
243.02995	2.4
255.03015	3.7
256.03876	1.6
257.04391	1.9
261.03952	2.2
271.07022	1.3
273.03970	2.4
285.03940	1.6
297.03894	2.1
303.04807	1.9
305.06735	22.3
361.05432	2.4
373.05722	1.9
399.07095	1.7
403.06708	5.5
423.07483	7.3
483.09280	3.1
523.08704	9.9
541.10291	9.6
709.13623	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00966	2.2
59.01244	28.5
61.98709	1.6
62.54197	1.6
63.32876	1.5
63.35402	1.4
75.40597	1.3
82.95254	4.7
93.03301	2.4
94.43707	1.4
104.89742	1.4
107.01298	1.7
108.02049	1.6
113.44995	1.8
121.02840	5.8
121.06471	2.2
121.42366	1.5
122.03573	7.8
123.04378	19.0
123.08028	9.9
125.02242	1.8
130.40221	1.7
137.02264	2.4
139.03894	2.5
145.02872	3.0
146.03589	2.9
149.02292	12.6
149.06021	4.5
150.03113	6.2
151.03851	4.3
159.04471	3.5
161.02379	3.1
162.03102	13.0
163.03882	6.6
164.04688	3.5
165.05449	4.5
166.02625	2.6
167.07047	6.1
168.90480	2.0
173.05957	2.6
175.03876	2.1
177.01852	64.3
177.05411	9.1
178.02620	69.6
179.03421	15.3
179.07047	6.1
180.04181	35.1
191.03426	3.3
192.02547	3.6
192.04219	51.7
193.04990	100.0
194.05756	6.3
195.06564	62.8
195.08359	2.4
202.06291	2.7
215.10785	1.8
217.05005	3.2
217.12280	10.2
233.11771	17.7
245.11818	68.4
259.09698	9.1
260.10413	1.7
261.11282	18.2
263.12997	5.6
284.10501	2.0
317.14026	10.2
357.09766	3.9
401.19595	3.2
403.14069	2.7
409.16595	5.8
421.16574	5.0
439.17712	48.9
457.18683	4.0
469.08228	2.3
509.18292	3.5
601.20367	4.0
613.20306	3.3
631.22394	4.8
649.22742	3.1
677.36774	2.1
709.35986	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	709.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.0
59.00970	0.7
59.01243	8.8
60.99155	0.5
67.01748	6.1
68.14847	0.5
69.03297	1.5
71.01239	7.0
72.99162	0.9
73.02811	1.0
75.89352	1.0
75.89793	0.8
80.24954	0.4
81.03304	1.5
83.01230	1.0
83.04882	1.1
85.02812	2.3
87.00728	1.1
93.00980	0.6
93.03316	35.3
93.05921	0.4
97.02752	0.4
99.82404	0.4
101.02306	2.0
101.66473	0.4
109.02789	1.0
111.00736	1.3
111.04379	7.2
113.02308	1.3
115.03848	0.5
125.02319	0.9
127.03873	0.5
137.02325	8.8
141.12714	0.6
155.02249	0.7
155.03403	9.2
172.98572	1.3
173.04462	100.0
174.04810	1.1
191.05547	1.3
200.38289	0.4
269.21191	1.0
285.17313	1.1
287.12866	0.5
287.22263	9.9
301.23895	0.6
367.13693	0.6
431.26492	6.2
449.27591	16.8
450.27933	0.9
491.28674	29.0
492.29205	1.0
524.33734	0.5
623.32843	0.7
659.45227	0.5
665.34003	57.2
666.34314	2.3
720.63519	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33083	0.2
70.08778	0.2
80.02406	0.7
89.85993	0.2
90.28471	0.2
92.02519	1.1
93.03348	0.2
106.04102	3.1
107.04884	3.1
107.05559	0.3
108.02026	0.5
119.04890	14.3
121.02815	5.6
133.06461	4.3
137.02313	0.4
147.08049	0.5
161.09608	1.0
175.11191	1.5
189.12761	0.7
203.14336	0.6
215.14464	0.3
217.15886	0.4
231.17332	0.2
243.17627	0.2
257.18927	0.2
299.10321	0.9
299.23801	100.0
300.24142	4.2
302.46524	0.2
309.92328	0.2
343.22787	91.9
344.18912	0.2
344.23123	3.8
447.22894	0.2
478.93546	0.2
500.05725	0.2
525.59180	0.2
709.44562	20.9
710.44849	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	710.325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12677	0.1
50.21312	0.1
55.24165	0.1
57.19368	0.1
59.01242	1.7
60.01566	0.1
61.01678	0.1
61.97321	1.6
61.98692	100.0
61.99881	1.5
62.98394	0.1
65.31491	0.1
66.07090	0.1
67.95846	0.1
70.29048	0.1
70.58547	0.1
71.01239	0.9
72.01567	0.2
73.02791	0.1
83.01261	0.1
85.02815	0.2
87.00761	0.2
88.01136	0.1
89.02293	1.2
90.02632	0.1
91.02728	0.1
91.72700	0.2
95.01220	0.1
97.02790	0.1
97.66702	0.1
98.16689	0.1
98.32247	0.1
101.02300	0.8
102.02615	0.1
103.02772	0.1
113.02298	0.2
114.02693	0.1
119.03392	0.3
121.41849	0.1
124.41063	0.1
124.53191	0.1
125.02351	0.2
126.02680	0.2
128.41238	0.1
135.30435	0.1
160.75230	0.1
161.04549	0.2
179.05569	0.1
235.08226	0.2
236.08565	0.2
237.08652	0.1
249.18568	1.4
250.18889	1.4
251.19279	0.4
252.19611	0.2
300.88385	0.1
397.13483	0.6
398.14038	1.0
399.14069	1.7
400.14352	0.7
415.14886	0.3
416.14972	0.5
417.15213	0.5
418.15628	0.4
522.27075	0.1
697.86700	0.1
714.85266	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	710.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64869	0.1
59.01242	1.7
59.01506	0.1
60.01587	0.2
61.01667	0.1
61.97491	1.6
61.98692	100.0
62.00071	1.5
71.01234	0.8
72.01595	0.1
73.02791	0.1
77.30450	0.1
82.20167	0.1
83.01247	0.2
85.02818	0.3
87.00743	0.2
89.02301	1.0
90.02652	0.2
91.02738	0.1
97.02819	0.2
101.02312	0.8
102.02648	0.1
103.02808	0.1
113.02264	0.4
119.03386	0.3
125.02325	0.3
126.02652	0.1
143.03394	0.2
161.04477	0.2
163.07390	0.1
163.98236	0.1
179.05551	0.2
235.08318	0.2
236.08557	0.1
237.08797	0.2
241.54907	0.1
249.18607	1.2
250.18930	1.4
251.19231	0.7
252.19588	0.2
253.09529	0.1
342.92822	0.1
389.68390	0.1
397.13574	0.8
398.13953	1.2
399.14026	1.9
399.19034	0.1
400.14398	0.9
415.14587	0.2
416.14969	0.5
417.15262	0.6
418.15289	0.4
418.57199	0.1
666.80414	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	711.2451
Annotation	Boehmenan
Peak:m/z	Relative Intensity
59.01241	9.5
61.98690	8.0
74.26183	0.8
90.86397	0.9
93.23964	0.8
109.02820	1.9
111.98781	0.7
121.02822	2.2
123.04375	1.1
136.01537	8.4
136.80653	0.9
137.02325	3.0
147.04402	1.4
149.02344	1.5
150.03104	0.8
151.03894	6.2
162.03003	1.1
163.03900	1.3
175.03960	1.0
177.01816	2.1
177.05505	2.0
178.02594	2.9
179.03244	2.7
180.04117	1.0
192.04248	1.5
193.05011	6.5
194.05360	2.2
195.06650	1.3
255.06859	1.0
256.37604	0.9
295.05975	1.0
331.35883	1.0
383.18628	2.8
406.08942	0.8
448.11612	1.6
463.13870	1.4
464.15051	1.6
491.13208	1.9
493.15573	1.2
495.38025	1.0
531.16882	1.8
635.20337	1.1
681.20374	1.1
695.21075	1.2
696.22119	2.4
711.24585	100.0
712.24451	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	711.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20487	0.5
54.48764	0.8
59.01243	38.3
59.02432	1.0
61.98699	3.3
79.54483	0.6
85.02785	0.7
91.73325	0.6
93.03337	0.9
93.28757	0.6
104.23409	0.5
107.04884	0.9
109.02828	1.2
121.02824	1.1
121.06474	1.0
122.03605	7.0
123.04385	13.1
123.08024	9.2
124.01490	0.8
131.85262	0.6
134.03613	0.8
135.04359	1.8
136.05116	1.2
137.02325	1.7
139.03920	0.8
145.02901	0.8
146.03615	1.9
148.05174	0.8
148.19846	0.6
149.02325	1.5
149.05919	3.1
150.03119	8.5
151.03923	6.7
160.01527	0.6
160.05177	0.9
161.02333	2.4
161.05980	2.2
162.03131	21.2
163.03862	5.9
164.04672	2.7
165.05466	8.0
167.07019	4.2
173.05977	1.7
174.06721	1.0
175.03929	1.8
176.04744	0.8
177.01865	2.5
177.05495	6.5
178.02625	6.8
179.03418	19.8
179.06975	3.7
180.04199	54.2
180.10719	0.7
187.03966	0.7
188.04823	1.0
189.05530	0.8
192.04224	2.4
193.04991	6.9
194.05798	11.1
195.06563	100.0
195.13669	1.3
196.06773	0.7
202.06335	1.6
205.12294	1.3
215.10771	1.8
217.05014	3.2
217.12294	6.3
229.08488	0.7
231.10417	1.2
233.11803	13.7
243.10291	1.4
244.11124	1.5
245.11821	37.3
259.09787	6.2
260.10428	1.3
261.11353	18.9
263.12918	3.7
272.10532	1.1
277.50638	0.6
284.10651	0.9
287.12991	1.6
291.44366	0.8
299.13104	0.9
302.11606	2.8
303.12241	0.8
312.12463	0.6
317.13947	5.8
327.08853	0.7
333.13525	1.5
357.09769	4.6
359.11111	1.0
370.10321	0.7
371.11237	1.6
409.16736	2.1
421.16431	0.9
437.15817	0.6
439.17682	20.9
457.18808	3.1
519.44067	0.7
520.56311	0.7
603.22504	2.6
615.22571	2.1
633.23767	1.5
651.24188	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	711.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.8
59.01244	29.0
59.17533	1.9
61.98687	2.1
71.01241	17.4
73.02787	2.5
78.87197	2.0
85.02795	5.1
87.00736	3.2
89.02296	27.8
89.77524	2.0
97.02811	2.6
101.02312	19.6
113.02320	8.8
119.03390	6.3
125.02322	6.2
143.03371	6.1
161.04443	6.0
179.05569	4.6
187.51984	2.6
235.08170	11.3
253.21721	47.3
277.21701	23.8
305.09058	3.2
315.14865	2.2
397.13522	100.0
415.14569	31.1
446.62866	2.3
617.47418	2.9
675.36212	4.6
711.33527	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01164	1.0
55.01739	1.3
56.20148	1.2
57.03313	1.1
59.01241	34.6
61.98690	2.8
64.21452	1.2
71.00877	1.6
71.01241	23.6
73.02807	5.9
81.03319	1.3
83.01238	2.6
85.02796	5.5
87.00730	6.0
89.02292	30.0
95.01219	1.8
97.02805	5.7
99.00739	1.7
101.02300	23.2
113.02312	9.9
119.03352	9.1
123.38686	1.3
125.02306	8.1
131.03352	1.7
143.03384	4.0
143.77945	1.4
152.85606	1.4
161.04437	4.1
172.70476	1.5
179.05519	5.3
233.96587	1.6
235.08235	12.0
253.09302	2.5
253.21712	88.9
254.22038	3.1
277.21805	7.9
287.07828	1.7
305.08859	3.3
323.09619	1.9
397.13525	100.0
398.13614	2.5
415.14600	35.0
651.36084	4.9
675.35748	3.1
711.33960	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	712.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13067	0.2
59.01241	2.8
60.01585	0.3
61.98694	100.0
61.99949	1.8
67.33578	0.3
71.01243	1.9
72.01601	0.3
73.02766	0.3
78.00951	0.3
82.95255	0.2
84.95004	0.8
85.02840	0.4
87.00743	0.2
89.02303	1.9
91.02744	0.3
92.77174	0.2
97.02808	0.3
101.02287	1.4
103.02774	0.4
113.02335	0.6
118.85983	0.2
119.03374	0.3
125.02316	0.6
143.03456	0.2
160.63177	0.3
168.69009	0.2
215.34776	0.2
235.08243	0.4
236.08672	0.4
237.08836	0.2
241.71556	0.2
251.20178	2.9
252.20517	2.9
252.22545	0.3
253.20879	1.1
254.21059	0.3
349.67349	0.3
362.89230	0.3
377.12491	0.2
397.13538	1.5
398.13864	2.1
399.14078	2.7
400.14233	1.1
415.14673	0.6
416.15103	0.7
417.15500	1.1
418.15536	0.3
451.39438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.5371
Annotation	Pinelloside
Peak:m/z	Relative Intensity
51.73705	4.0
59.00971	7.1
59.01242	100.0
63.39088	4.6
65.29751	4.2
71.01241	55.9
73.60673	4.5
78.95762	8.3
85.02822	11.0
89.02299	83.1
91.72791	5.5
101.02307	38.7
102.26213	4.7
113.02297	25.2
119.03374	45.7
136.67609	5.6
179.05539	18.9
225.22284	25.9
271.22745	7.3
275.51294	5.9
296.25876	7.6
330.47559	6.2
351.84656	7.1
357.74149	6.3
532.47449	59.3
550.48474	26.6
705.67133	7.2
712.54077	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.0
59.76173	0.5
60.99168	14.1
67.08470	0.5
88.96571	1.3
88.98660	100.0
89.00977	1.0
101.02327	0.6
112.68550	0.4
125.02297	0.8
151.00278	1.3
227.03459	0.9
229.92076	1.1
238.09639	0.6
243.02968	5.2
255.02782	2.6
257.04660	0.7
269.27130	0.5
271.02524	7.5
272.03101	0.7
285.04108	1.5
287.05371	0.6
289.16693	2.1
299.01950	9.4
299.05048	0.8
300.02744	8.2
314.04343	10.9
315.05130	21.5
316.05267	1.3
337.72928	0.7
345.05942	0.7
623.16211	31.3
624.16766	1.4
709.03333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.8
62.71973	0.7
63.85213	0.6
72.33105	0.4
76.68768	0.5
76.98763	0.7
80.22421	0.5
81.03307	0.7
82.20176	1.1
83.01234	0.9
87.00732	48.3
87.02864	1.0
95.01234	0.6
95.04856	0.6
103.23937	0.6
109.02781	2.3
111.04356	1.7
121.02746	0.6
123.00687	1.2
124.01514	0.7
124.20892	0.6
125.02310	18.3
129.80142	0.6
134.03609	7.0
135.03461	0.7
135.04404	9.5
136.01469	1.7
137.02313	6.9
139.03874	4.5
149.04861	0.7
149.05960	3.2
151.03925	3.7
153.05484	3.2
164.01024	1.3
165.01820	4.4
167.03387	4.9
175.03836	0.7
177.01793	0.6
179.03445	3.6
197.51511	0.6
201.05606	0.6
203.03445	0.8
204.04184	0.8
213.05502	6.0
219.06560	2.9
221.04509	1.2
223.04031	0.8
241.05037	56.3
242.05351	2.3
254.31645	0.7
256.07407	43.4
257.07739	1.5
261.07611	1.0
271.09766	86.4
272.10132	3.7
305.06683	19.8
306.06992	0.6
319.11905	9.8
377.12527	0.9
389.12628	3.1
407.13498	100.0
408.13800	4.3
412.76675	0.6
523.34631	0.7
539.29584	0.6
557.25336	0.7
587.90649	0.7
669.07422	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2609
Annotation	9,9'-O-di-(E)-feruloyl-(-)-secoisolariciresinol
Peak:m/z	Relative Intensity
59.01235	1.1
59.36601	0.2
60.65247	0.2
61.98691	1.6
68.61942	0.2
69.57571	0.2
71.01240	0.4
74.17606	0.2
92.81313	0.2
93.03289	0.6
108.02032	1.6
109.02833	2.3
119.04910	0.2
121.02819	2.6
122.03644	0.4
123.00723	0.5
123.04372	0.8
133.02802	0.4
134.03584	0.5
135.04399	1.0
136.01543	19.3
137.02332	5.8
139.95049	0.3
145.02887	0.5
146.03651	0.5
147.04378	1.0
149.02345	1.1
150.03125	0.3
151.03899	11.9
159.04405	1.2
160.05144	0.5
161.02327	0.3
161.06010	0.7
162.03114	1.5
163.03949	2.1
165.05463	0.3
173.06026	0.4
175.03932	2.2
176.04651	1.2
177.05457	1.5
179.03436	0.6
187.03922	0.9
189.05492	0.8
190.06239	1.2
191.07106	0.4
193.04962	0.4
195.06561	0.7
199.04050	0.3
201.05467	0.3
203.07068	0.4
209.06003	0.4
214.02596	0.3
225.05585	0.3
228.04204	0.6
229.05046	0.8
230.05859	0.3
237.05496	0.3
239.07210	0.3
240.04303	0.3
241.05028	0.4
242.02228	0.5
242.05750	0.3
243.02972	0.3
243.06589	0.5
252.04283	0.3
253.05092	0.3
255.03053	0.4
255.06422	0.4
255.47029	0.3
256.03665	0.4
257.04694	0.7
258.05362	0.5
259.06146	0.7
264.04132	0.3
265.05206	0.5
266.05762	0.4
267.06656	0.5
268.03879	0.3
269.04507	0.6
270.05515	0.3
271.06198	0.5
272.06720	0.4
273.03952	0.3
273.07703	0.5
278.05838	0.4
279.06525	0.4
281.04782	0.3
281.08136	0.5
283.06165	0.6
284.06891	0.4
285.07758	0.6
287.05789	0.3
290.07959	0.3
293.08252	0.6
295.06137	0.4
296.06723	0.3
297.07605	0.4
299.09369	0.4
307.06320	0.4
309.07608	0.4
311.09100	0.5
313.07321	0.3
321.07474	0.4
323.09341	0.4
341.10352	0.5
347.09103	0.3
371.09424	0.4
388.09683	0.3
389.10245	0.7
392.35828	0.2
399.76035	0.3
403.12125	0.3
404.12646	0.3
415.11874	0.5
417.13654	0.4
418.14224	0.4
419.14697	0.3
427.12051	0.3
429.13763	0.3
430.10376	0.3
431.11255	0.5
432.11737	0.3
433.12988	0.4
434.13965	0.4
435.13989	0.4
441.13220	0.5
445.12759	0.6
446.13541	0.9
447.14706	0.7
448.11237	1.3
449.12482	1.0
451.12036	0.2
453.13376	0.4
457.12799	0.5
458.13507	0.3
459.14462	0.5
462.12689	0.5
463.13922	1.3
464.14651	1.4
465.15637	0.4
469.13174	0.3
471.14398	0.4
475.14276	1.8
477.11423	0.4
478.12741	0.3
489.15802	0.5
491.13605	1.0
492.14252	0.8
493.15179	2.8
498.12708	0.3
501.15491	0.9
505.15353	0.3
507.16580	0.7
515.16754	0.3
519.16699	1.3
531.16431	0.7
563.17487	0.3
575.17474	0.6
577.19598	0.4
593.20660	0.5
605.19757	0.3
608.18469	0.4
619.20178	0.4
623.18945	1.3
637.20563	0.9
638.21796	0.5
639.22253	0.3
653.24036	3.8
655.21710	0.5
665.24213	0.5
683.24847	4.2
697.23840	0.3
698.24182	0.5
713.26135	100.0
714.26392	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	713.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37236	2.9
59.01238	30.8
71.01241	25.6
73.02814	5.8
74.53009	3.1
85.02826	5.3
87.00782	4.7
89.02306	33.0
95.66356	3.5
97.02778	4.8
101.02297	23.1
113.02296	8.3
119.03368	7.4
122.96188	4.3
125.02325	11.4
139.29668	3.5
143.03401	4.6
156.52467	3.9
179.05615	5.1
235.08246	10.4
255.23285	97.3
255.25842	7.2
261.92828	3.9
305.09088	3.7
397.13498	100.0
397.18982	3.6
415.14597	38.3
653.37817	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	713.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10221	0.1
62.37733	0.1
66.29036	0.1
70.58736	0.2
76.15376	0.1
80.52978	0.4
92.02521	0.6
93.03317	0.1
94.91868	0.1
98.38238	0.1
106.04092	2.5
107.04895	0.5
107.82475	0.1
108.02030	0.3
108.30947	0.1
119.04893	5.7
119.08350	0.1
121.02817	4.2
125.17062	0.1
129.89796	0.1
133.06473	2.2
136.01598	0.1
137.02263	0.2
151.73854	0.1
160.77565	0.1
161.09601	0.5
165.27637	0.1
175.11166	0.8
188.55208	0.1
189.12764	0.4
192.86565	0.1
203.14404	0.3
217.15880	0.2
265.15790	0.1
299.23749	0.2
301.25369	100.0
302.25720	3.6
345.24362	67.0
346.24710	2.7
480.96179	0.1
578.06421	0.2
637.18024	0.1
660.03326	0.1
713.47711	19.9
714.48022	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28225	1.5
53.30124	1.5
53.57928	1.2
65.30338	1.3
70.91511	1.3
73.22179	1.6
84.08116	1.3
119.04893	6.1
121.02840	2.3
133.06458	2.6
301.25375	100.0
302.25961	2.2
345.24371	71.4
346.24399	2.2
561.75781	1.9
713.47565	21.9
714.48425	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	713.479
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95763	37.7
79.89209	6.5
87.50306	7.4
104.85660	7.3
107.27674	6.8
107.37289	5.8
119.04904	21.4
133.06531	12.0
145.11784	7.0
152.99500	35.1
158.01427	7.6
221.15448	20.0
265.14410	21.2
279.23291	27.2
297.17090	27.6
299.23917	38.7
311.94284	8.9
325.25385	39.5
343.22867	49.9
369.24344	100.0
370.24677	20.1
371.25006	9.1
433.16180	26.3
444.51825	10.1
449.30908	9.3
451.17520	13.5
457.96750	7.9
618.04865	9.4
708.80322	8.6
713.40411	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62848	6.3
65.58954	7.6
67.63607	5.8
90.28852	6.9
93.60103	7.3
94.40939	7.0
107.72121	6.9
110.58466	6.9
116.07022	10.4
130.08624	27.8
168.11316	35.2
186.12404	16.7
219.15454	7.7
251.32556	8.0
282.28027	7.9
297.05560	7.5
434.37753	40.9
438.71454	7.5
452.38538	28.2
482.39395	20.8
502.61246	8.9
677.52319	100.0
713.49805	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56333	0.2
59.01233	0.4
60.28987	0.2
61.98684	0.2
67.63911	0.2
75.93601	0.2
79.95591	1.3
82.02837	0.4
96.95869	100.0
96.98334	1.4
97.52493	0.3
134.03598	0.7
135.92902	0.2
148.03941	1.1
149.04643	0.5
150.05501	1.4
150.09132	0.5
154.05040	0.3
156.57166	0.2
160.92845	0.3
161.04745	0.3
164.03389	0.4
171.08894	0.2
173.03503	1.3
174.01726	0.3
174.04230	1.5
175.04985	0.6
178.02567	0.3
180.42128	0.2
189.06575	0.7
190.07326	1.8
191.05750	0.3
193.05034	1.1
202.03477	0.3
214.10876	0.3
217.96674	0.2
231.07726	1.2
232.08461	3.1
233.09152	0.3
235.16826	0.3
242.08110	0.3
244.08525	0.8
245.09398	0.3
286.09540	0.7
299.13992	0.6
324.13492	0.6
341.04453	0.3
382.17709	1.5
383.17926	0.3
394.17804	0.3
436.18686	0.8
437.17236	0.4
454.19916	4.8
475.11975	1.6
492.14462	0.7
518.12213	0.7
545.24048	0.4
599.25092	0.8
617.26221	9.6
635.77362	0.3
655.20917	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35994	0.6
53.92910	0.7
59.01237	4.0
61.98668	0.8
62.78061	0.8
78.11629	0.7
96.25089	0.7
100.91553	0.9
108.02042	1.2
109.02821	1.1
110.61549	0.8
114.68926	0.7
121.02797	1.5
122.03506	1.0
122.62172	0.8
135.04393	1.6
136.01553	11.2
137.02333	4.6
147.04387	1.6
149.02255	1.3
150.03075	1.1
151.03891	12.8
159.04437	2.2
160.05225	2.0
161.05965	2.3
162.03152	1.1
163.03923	2.0
167.51236	0.9
173.05992	1.5
175.03925	2.6
175.07593	0.9
177.01814	0.8
177.05460	2.8
179.03432	1.1
189.05646	0.8
205.11128	0.9
228.04169	2.2
229.05014	1.3
242.05898	1.1
243.06615	1.4
244.07399	1.1
257.08115	1.2
258.05527	0.8
269.08182	1.0
271.06171	2.0
271.09726	1.0
272.06812	1.2
273.07669	1.3
276.06577	1.5
281.08179	1.6
287.09256	1.3
297.07526	1.1
309.07614	1.1
313.10788	1.5
351.14587	1.0
402.10910	1.4
417.13440	1.4
418.14365	1.7
427.43741	1.0
460.14932	1.0
463.14063	1.9
477.15454	2.2
491.17401	1.4
492.17831	1.2
521.17120	1.0
585.90979	0.9
625.24634	2.1
637.24878	1.0
638.52454	1.1
639.21997	1.1
652.39453	1.0
655.25256	3.6
667.24738	1.1
685.26593	20.6
715.27692	100.0
716.28180	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	715.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	22.9
61.98680	11.9
71.01223	16.5
77.00494	11.9
89.02290	18.4
91.73376	13.8
93.16553	11.5
110.89735	15.7
156.82065	14.9
182.97270	14.4
235.08127	17.2
281.24808	45.0
385.00400	14.4
397.13538	100.0
415.14578	31.1
605.39893	15.5
679.39343	30.2
715.37262	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24711	12.7
51.52628	10.8
59.01233	21.3
61.98713	12.5
63.70225	10.7
89.02274	21.8
93.30592	15.1
94.02258	11.5
111.84171	12.0
136.15306	14.0
150.88750	12.6
165.82184	13.8
188.21652	13.1
188.57875	13.9
223.92271	14.4
281.24805	64.1
325.66818	14.4
341.66516	16.2
397.13593	100.0
415.14737	28.5
715.37036	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	715.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82507	1.0
56.12178	0.8
59.23148	0.9
63.70863	0.8
68.62987	0.9
71.03757	0.8
71.53862	1.1
73.18877	1.1
73.45304	0.9
75.64533	1.0
92.02533	1.3
93.03337	2.1
99.84580	1.1
100.57234	1.1
106.04116	3.3
107.04893	16.8
108.02017	1.2
119.04901	7.0
121.02826	9.1
121.09355	1.1
152.99449	1.5
161.75708	1.1
172.49854	1.0
175.11205	3.8
187.11188	1.1
203.60803	1.0
275.23837	41.2
319.22818	30.6
320.23224	1.7
329.28613	3.1
336.43527	1.1
351.26953	27.3
355.57538	1.1
373.27499	3.5
387.19937	1.2
395.25931	100.0
396.26337	4.4
533.89740	1.3
616.77460	1.5
661.29034	1.4
685.74530	1.4
715.49237	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08762	0.3
57.24648	0.3
57.24934	0.3
57.25275	0.4
59.01244	3.1
60.01572	0.5
61.97437	2.0
61.98693	100.0
61.99803	1.1
67.06401	0.3
71.01254	2.1
71.28702	0.3
73.02812	0.6
83.01257	0.4
87.00739	0.6
89.02293	2.7
90.02611	0.6
94.64481	0.3
97.02809	0.4
101.02299	1.7
102.02658	0.5
113.02319	0.8
117.19824	0.3
119.03404	0.5
125.02324	0.7
129.44379	0.3
161.04427	0.4
180.06009	0.4
197.61017	0.4
236.08728	0.4
255.23274	4.2
255.25363	0.3
256.23663	4.2
257.23969	2.0
258.24448	0.4
369.62244	0.4
397.13556	2.1
398.13904	3.1
399.14014	4.9
400.14450	2.2
415.14676	0.7
416.15121	0.7
417.15359	1.2
418.15689	0.4
460.73080	0.3
469.24905	0.4
488.14081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00966	0.3
59.01242	3.0
60.01575	0.4
61.97429	2.0
61.98691	100.0
62.00146	0.9
69.73987	0.2
71.01235	2.0
72.01577	0.4
73.02789	0.4
83.01263	0.3
85.02809	0.4
87.00745	0.6
89.02289	2.2
90.02647	0.3
91.73324	0.1
95.01266	0.2
97.02794	0.2
101.02293	1.5
102.02644	0.3
113.02316	0.7
119.03394	0.5
125.02304	0.8
143.03404	0.2
151.15221	0.2
157.38757	0.2
161.04472	0.2
162.04732	0.2
168.02037	0.2
179.05580	0.3
207.48813	0.2
231.40724	0.2
235.08174	0.5
236.08409	0.3
237.08789	0.2
253.05022	0.2
253.09512	0.2
255.23293	3.3
256.23627	2.9
257.23892	1.6
258.24176	0.3
387.05716	0.2
397.13464	1.8
398.13907	2.3
399.14023	4.1
400.14334	1.3
415.14505	0.4
416.14877	1.1
417.15286	1.1
418.15271	0.5
580.62805	0.2
655.37982	0.2
656.38477	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2922
Annotation	(2S,2(1)R)-8-ethenyl-2(1),2(2)-bis(methoxycarbonyl)-17-(3-methoxy-3-oxopropyl)-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-13-propanoic acid
Peak:m/z	Relative Intensity
59.01216	0.6
61.98687	0.9
62.98366	0.7
78.24470	0.7
96.95870	1.6
101.27483	0.6
108.01976	0.9
109.02784	1.5
110.90314	0.7
121.02821	1.8
121.36773	0.7
122.03598	1.1
123.04407	1.6
124.01437	0.8
134.88542	0.8
135.04323	1.5
136.01520	2.2
137.02339	1.3
146.03600	1.5
147.04436	4.5
148.05237	0.9
150.03087	1.6
151.03903	1.5
153.79716	0.7
156.27795	0.8
158.03636	1.6
159.04411	3.5
160.05226	3.9
161.05981	7.8
162.03047	0.8
163.03882	2.2
164.04683	2.2
165.05499	0.8
173.05991	3.2
175.03918	1.4
175.07562	6.3
176.04643	0.9
177.05498	6.1
178.06169	2.2
179.03375	1.3
188.55905	0.9
192.07834	1.9
193.04967	1.3
195.06659	0.7
198.06847	1.0
213.05528	2.1
214.06302	5.2
215.07080	3.0
227.07175	1.4
228.04182	1.8
229.08636	5.8
230.05692	1.1
241.05038	3.6
242.05812	7.5
243.06612	10.8
244.07355	1.8
245.08192	1.5
255.06580	3.8
256.07385	3.4
257.08185	23.2
258.08969	9.4
259.09683	1.3
265.08685	0.9
269.08185	1.2
270.08994	2.3
271.09863	1.6
272.10550	14.4
282.08868	1.1
283.06311	0.9
283.09784	1.1
284.10587	1.6
285.11206	1.0
288.06378	1.5
290.07971	19.9
295.09650	1.6
296.10471	1.8
297.11386	1.7
298.12201	0.8
299.09393	0.9
299.12717	1.3
300.09808	0.9
304.09521	23.6
311.12860	2.2
313.10690	1.0
315.12360	1.0
330.11475	0.8
404.12924	1.2
419.14990	1.8
420.15939	1.8
433.16260	1.5
434.17697	1.0
435.48862	0.8
449.16190	2.0
450.17050	1.0
459.42343	0.8
463.17615	1.6
465.15097	1.2
479.16769	1.5
480.17871	1.4
493.19006	1.2
597.25006	0.9
623.74915	0.8
627.25934	1.4
641.24084	3.0
657.27057	16.5
669.28137	1.2
687.28137	39.1
688.28204	2.6
717.29236	100.0
718.29761	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	717.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74862	0.3
77.82787	0.4
78.46312	0.5
78.95276	0.5
80.53045	0.4
81.13908	0.4
81.20412	0.5
83.37815	0.8
84.01772	0.7
85.64581	0.5
87.05436	1.0
87.05923	0.9
89.47264	0.8
89.47727	0.6
92.02538	1.1
93.56695	0.5
95.86520	0.4
97.14084	0.4
98.08411	0.4
106.04098	3.7
107.04881	1.7
108.02042	1.0
119.04890	16.1
121.02020	0.6
121.02824	7.3
133.06470	4.7
144.48299	0.5
161.09590	0.8
175.11200	1.8
189.12805	0.8
203.14391	0.6
280.75299	0.5
285.35916	0.5
301.25375	75.7
302.25735	1.3
316.61301	0.5
317.56653	0.4
327.26956	85.2
328.27109	2.2
345.24362	66.5
346.24625	1.7
366.83914	0.5
371.25922	100.0
372.26300	3.0
411.49234	0.5
499.48648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00142	2.2
57.65080	2.2
71.26974	1.8
73.03931	15.1
74.02344	3.4
78.95758	4.5
85.03923	3.0
95.02370	15.5
97.03923	3.2
99.01878	6.4
105.60520	2.2
105.69708	2.3
111.01851	2.9
112.05042	16.0
113.03447	7.1
124.05058	9.9
125.03422	14.6
130.06102	30.1
130.08614	26.0
135.40271	2.2
139.05029	3.5
140.07112	4.2
142.06107	6.1
155.08218	4.6
156.07709	3.9
169.07217	21.9
169.09767	3.4
181.07213	3.1
181.09865	3.0
187.08322	20.0
196.45993	2.8
198.18614	19.2
199.08273	4.1
199.18176	7.6
225.15993	2.5
238.18268	7.1
243.17197	4.1
251.21278	5.5
255.20786	14.1
256.20319	4.1
290.22513	3.7
291.23303	8.1
292.23672	6.6
294.21921	3.0
295.20239	6.0
312.19473	3.3
312.22760	5.5
333.35410	2.4
335.22421	10.9
336.22607	7.1
338.24411	3.4
351.24054	25.6
353.06247	3.2
354.06693	2.7
357.21548	2.7
359.22427	3.6
363.24133	12.9
369.21338	4.0
369.25143	68.4
371.53476	2.8
381.25098	12.5
399.26154	33.5
411.25845	2.8
424.24280	3.2
428.74109	2.8
429.27176	24.3
443.29062	6.3
473.29745	10.0
608.40179	5.3
622.42352	5.1
634.41754	5.7
638.41455	15.4
652.42914	60.3
664.42841	3.5
682.44080	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11000	0.3
56.77736	0.3
59.01254	0.4
60.97371	0.3
63.33593	0.3
72.00247	1.9
72.97392	1.6
72.99162	0.8
87.00733	15.1
90.98450	55.4
91.00748	0.8
96.95882	1.1
97.02795	0.5
113.02266	0.8
117.00047	1.3
125.02305	2.1
125.31715	0.4
128.73447	0.3
129.07310	40.1
130.07607	0.3
135.01099	4.6
139.05428	0.4
141.01768	0.5
145.06839	1.7
147.08379	43.2
147.13086	0.5
160.99109	0.6
173.06326	10.0
177.09052	0.7
179.00111	24.0
191.07391	11.7
199.07832	0.4
201.00519	0.4
217.09000	10.4
233.73212	0.4
235.10071	6.4
261.08035	9.5
261.19424	0.4
269.08368	0.6
279.09085	100.0
280.09381	1.5
299.09244	0.6
300.02496	0.4
300.62851	0.4
314.11450	1.0
329.14029	1.3
341.13763	0.6
383.13632	2.5
389.14636	0.5
439.12302	0.7
447.16568	2.9
494.27170	1.1
494.34494	0.4
570.15924	0.4
718.81830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80107	1.6
58.05804	1.7
64.35827	1.7
64.52850	1.5
88.71030	2.2
92.18254	2.1
123.08029	6.6
171.15018	1.8
185.50925	2.1
253.21750	5.9
265.05078	4.4
280.08905	2.1
297.11252	4.2
308.10675	8.4
321.11380	3.5
323.09207	9.1
373.10867	2.8
453.13327	4.1
454.14108	4.6
471.18146	8.9
493.17032	2.4
536.22266	4.0
550.23694	3.3
551.22858	2.7
553.22534	22.7
601.22797	4.6
671.26215	2.7
686.28735	4.3
687.30438	2.9
701.31049	34.2
719.32391	100.0
719.45374	4.3
720.33057	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	719.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62119	0.4
71.48833	0.4
72.68228	0.4
94.84657	0.5
95.29956	0.5
96.70572	1.3
96.71204	1.2
116.39561	0.7
129.48421	0.5
171.93875	0.5
250.06342	0.6
251.07040	0.8
265.05063	0.6
278.05893	1.6
279.06638	14.9
280.07251	0.5
302.06000	1.4
321.11325	7.7
322.12115	83.6
323.12387	1.9
329.04428	0.7
330.05472	4.1
331.06329	0.6
345.11243	4.6
346.12082	0.6
359.09293	2.9
372.05939	0.8
372.10071	1.6
373.10794	18.3
374.11472	2.6
386.07547	1.1
387.12268	2.3
400.09433	1.0
401.10327	0.7
415.11618	3.0
430.18060	2.9
441.16733	0.6
443.15042	1.1
457.16788	0.7
458.17395	37.0
459.17563	0.6
473.19714	100.0
474.20111	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	719.526
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96598	1.3
68.25220	1.1
76.92479	1.4
105.95491	1.4
106.04124	2.5
119.04906	5.0
121.02821	14.7
122.03636	1.4
135.04437	1.6
168.33754	1.4
195.04292	2.1
196.05290	2.0
209.05974	2.8
210.06866	1.8
212.08382	1.8
212.55475	1.6
225.09207	2.9
286.03036	1.7
301.25339	32.9
319.26328	2.3
327.27042	1.9
329.28522	33.4
345.24399	29.6
345.28384	3.2
373.27496	38.4
421.31223	5.5
629.52997	4.6
631.54620	65.2
632.54645	5.1
657.52362	2.5
675.53516	6.1
701.51855	9.0
719.52637	100.0
720.52899	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	721.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01216	0.2
70.58270	0.1
79.95589	1.9
87.63718	0.1
96.93613	1.1
96.95869	100.0
96.98494	1.4
104.94155	0.2
123.57249	0.1
143.97115	0.1
198.83093	0.1
243.03024	0.5
255.03227	0.2
257.04559	0.2
271.02496	0.9
285.04166	0.2
297.13467	0.2
299.01987	0.8
300.02771	1.0
314.04370	0.8
315.05112	1.8
623.16327	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22547	0.1
59.01244	0.3
63.50414	0.1
67.63746	0.1
67.64113	0.2
68.98872	0.1
72.31227	0.1
78.95757	0.3
79.95591	1.7
96.93034	0.8
96.95869	100.0
96.98327	1.5
97.95827	0.2
99.07993	0.2
101.02322	0.2
126.22665	0.1
151.00227	0.1
185.38803	0.1
194.54062	0.1
211.04045	0.2
227.03488	0.2
243.03035	0.7
255.02948	0.3
271.02518	0.8
284.03296	0.2
285.04184	0.3
285.13431	0.2
299.01971	1.4
300.02832	0.4
314.04352	1.7
315.05054	0.6
375.09171	0.2
426.40283	0.1
623.16187	2.7
624.16968	0.3
721.31366	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76924	0.2
62.35453	0.2
74.79218	0.2
74.85399	0.2
78.52155	0.2
79.33926	0.2
80.16352	0.2
81.08923	0.2
85.78439	0.2
91.05392	0.6
93.03320	0.7
93.59901	0.2
96.95856	0.2
101.03848	0.6
103.05397	0.3
108.02035	0.6
109.02813	25.2
109.05782	0.3
115.05366	0.2
117.03339	0.2
119.04884	4.6
120.99529	0.4
121.02826	2.8
122.03620	0.6
123.04373	2.1
125.02289	0.4
129.03343	8.1
130.04120	1.6
131.04922	0.3
135.04443	0.6
145.02840	6.8
145.98373	0.2
146.02454	0.4
146.03622	9.6
146.99141	0.8
147.04402	100.0
147.09013	1.2
148.04675	1.3
153.01884	0.3
158.03671	1.1
159.04411	19.4
160.04863	0.2
161.05981	0.8
171.14136	0.2
191.05548	0.4
199.07675	0.3
203.03363	1.2
204.84796	0.2
209.22156	0.2
222.00729	0.2
223.07649	0.5
240.08017	0.2
251.07112	1.3
252.07918	0.9
253.91425	0.2
254.05766	0.7
267.06555	0.4
268.07230	0.5
269.08203	62.7
269.19473	0.6
270.08487	1.5
281.54404	0.2
288.80103	0.2
313.07199	23.8
314.07693	0.4
363.11539	0.3
642.34729	0.2
645.76843	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44219	0.6
56.29361	0.6
59.01233	2.2
61.08938	0.7
61.21327	0.7
71.01259	1.0
89.02220	0.8
90.36294	0.7
91.73373	1.7
96.95846	3.8
109.02818	0.9
121.02840	1.2
122.18520	0.8
137.02304	1.0
140.24460	0.7
147.04404	2.9
150.94385	0.8
158.96715	0.9
165.05424	5.7
175.02403	1.4
179.07224	1.0
229.08492	1.1
243.06606	4.2
249.87970	0.9
255.06627	0.9
256.07416	1.3
257.08212	2.0
258.08963	2.8
267.06638	1.9
268.07437	1.5
269.08200	1.5
270.09036	2.7
271.10034	1.0
279.41449	0.9
281.08109	1.6
282.09009	1.7
283.09744	1.7
284.10526	1.9
286.08359	1.6
288.06406	1.0
290.07889	1.8
295.09720	1.5
297.11255	1.8
299.09283	1.3
300.09900	2.0
301.10858	2.6
302.07928	1.6
311.09079	1.1
313.10709	1.6
314.07742	1.3
315.12381	3.1
316.09564	0.9
325.10828	2.8
381.63940	1.0
421.04520	0.9
433.03616	0.9
463.17422	1.0
477.18921	1.6
481.18640	3.3
492.18185	1.7
495.20313	9.9
507.20264	12.8
509.21872	4.1
514.05603	1.1
521.21674	1.1
525.21460	9.5
539.22711	4.5
553.61383	0.9
675.28064	2.7
711.42371	1.0
721.32330	100.0
722.32813	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	721.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46532	1.0
65.22078	1.1
66.92213	1.0
91.72703	2.1
92.02525	1.2
95.09801	1.1
103.14461	1.2
106.04104	5.4
119.04893	8.0
121.02840	13.7
133.06461	2.8
189.12756	1.4
217.15952	1.6
302.25690	2.2
303.26938	97.3
304.27228	1.9
329.28519	100.0
330.28836	4.8
347.25937	73.7
359.62769	1.4
373.27502	93.4
374.27844	4.7
410.34406	1.6
452.55115	1.6
567.63745	1.9
633.55670	1.9
721.54419	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	723.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56464	0.4
54.84467	0.4
56.67321	0.4
56.77137	0.4
59.01240	0.5
61.35955	0.4
61.98669	0.5
63.02258	0.7
65.00169	0.9
67.23547	1.0
67.23853	0.7
70.92983	0.4
83.01224	0.8
93.03289	0.9
96.95854	0.6
100.39046	0.9
100.39622	0.9
107.01236	1.7
107.34266	1.0
132.02039	1.3
135.00726	1.0
143.04857	0.8
147.04369	1.6
147.96306	0.5
151.00272	2.8
152.34093	0.5
159.04465	0.6
161.05988	1.1
163.00249	1.1
164.01048	0.6
178.99745	0.9
180.65654	0.5
183.04408	1.5
185.05995	1.0
187.03874	1.5
189.05453	0.8
199.03922	1.5
199.94196	0.5
211.03934	1.9
213.05548	0.9
227.03458	43.6
228.03764	1.3
229.05048	3.2
230.35587	0.5
239.03462	1.6
255.02977	83.4
256.03598	5.7
257.04453	2.6
283.02493	4.3
284.03265	100.0
285.04010	24.6
286.04382	1.1
413.08829	2.2
431.10046	0.6
575.14142	4.8
723.19397	71.6
724.19476	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	723.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44480	0.3
59.01251	2.3
61.98645	0.5
63.40689	0.4
65.02174	0.4
65.02519	0.4
71.01223	1.2
72.99162	1.7
75.00732	100.0
75.02439	1.6
81.29411	0.4
89.02315	1.5
91.72703	1.3
92.90102	0.4
101.02318	0.9
109.96856	0.4
113.02321	0.7
125.02312	1.6
137.02292	0.9
195.89610	0.4
249.18599	3.1
305.06744	1.4
397.13489	6.4
408.44003	0.5
415.14670	1.9
468.17807	0.5
647.33167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61020	0.2
57.11000	0.2
57.15950	0.2
59.01231	1.3
63.02224	0.4
63.28536	0.3
65.00198	0.4
67.23535	0.7
67.23851	0.4
93.03288	0.5
96.95860	3.3
99.29256	0.3
100.49953	0.4
107.01233	1.4
107.44973	0.5
107.45705	0.7
113.67582	0.3
115.15802	0.4
125.01366	0.4
132.02023	0.9
135.00720	1.0
151.00244	2.6
152.00963	0.4
163.00253	1.3
164.01021	0.8
169.01344	0.4
173.82776	0.3
178.99765	1.0
183.04376	0.9
191.10738	0.8
199.04115	0.5
200.04695	0.8
211.03932	1.2
213.05519	0.4
227.03452	36.1
228.03975	0.9
229.04996	1.7
239.03520	0.8
240.04250	0.5
241.05080	0.5
255.02975	70.7
256.03659	5.5
257.04501	2.0
281.04492	0.4
283.02484	0.9
284.03262	100.0
285.03949	13.3
286.04092	0.5
306.07770	0.4
327.05316	0.7
415.08383	0.3
419.15512	0.4
551.26428	0.4
561.12585	0.8
725.19409	63.0
726.19885	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	725.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15913	0.2
57.78001	0.2
59.01236	1.4
60.33638	0.2
63.02248	0.4
65.00187	0.6
67.23522	0.5
83.01221	0.7
95.53283	0.2
96.95840	1.2
101.02315	0.3
107.01266	1.5
107.45049	0.4
107.45706	0.5
113.02303	0.3
116.31693	0.3
123.65552	0.3
125.01331	0.3
125.84663	0.3
127.95660	0.2
128.03412	0.3
132.02051	0.9
135.00757	1.1
137.02301	0.3
147.74631	0.2
151.00253	3.1
152.01022	0.5
159.04318	0.3
163.00269	1.1
164.01064	0.7
168.94122	0.3
169.01341	0.5
171.04625	0.3
178.99741	1.3
183.04424	1.1
185.02359	0.4
185.06021	0.3
187.03894	0.4
189.05328	0.3
191.10605	0.4
198.45677	0.3
199.04013	0.4
200.04782	0.4
211.03957	1.9
213.05692	0.3
214.86557	0.3
227.03461	38.9
228.03914	0.7
229.05014	1.8
239.03508	1.1
255.02982	74.6
256.03714	5.1
257.04504	1.6
283.02551	2.0
283.90750	1.0
284.03268	100.0
285.04019	13.1
309.04483	0.5
327.05054	0.8
339.05289	0.3
358.14063	0.3
451.21753	0.6
561.12091	1.2
725.19427	68.0
726.19641	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95765	2.1
93.03313	0.5
96.04096	0.4
96.96802	0.4
98.44756	0.5
98.45256	0.3
103.91907	0.3
104.40500	0.2
105.27702	0.3
107.04884	0.5
119.04902	2.0
121.02839	3.3
121.03639	0.4
122.03548	0.3
122.89289	7.2
132.15352	0.2
133.06348	0.2
133.72383	0.2
134.03587	0.5
134.38020	0.2
134.66898	0.2
142.93509	0.3
145.02788	0.5
146.03085	0.2
148.05122	0.3
152.99467	1.7
161.09634	0.3
172.94531	0.5
173.64282	0.2
182.93040	0.4
186.59630	0.2
195.93800	1.4
196.94571	0.6
198.92484	1.4
200.94037	0.5
208.94624	1.5
209.95316	0.2
210.96104	1.8
211.93311	0.2
213.94896	0.3
214.95627	6.5
222.96217	0.6
224.94193	0.4
226.92128	1.1
228.93642	0.6
228.97324	0.4
234.96225	0.7
236.93944	0.3
236.97754	0.6
248.97813	0.8
250.99176	0.2
253.01006	0.2
262.99240	0.5
265.00906	0.3
271.17722	0.3
271.20691	6.4
273.22220	1.5
279.02338	0.3
293.21118	0.8
295.22870	0.4
296.94894	0.2
298.00485	1.3
306.05222	0.3
317.21301	1.6
320.06387	0.7
335.22488	0.3
359.08591	0.4
361.10141	2.3
362.11267	1.0
363.11865	31.4
364.12167	0.7
379.11230	1.2
381.12912	34.6
382.13229	0.7
395.10641	0.3
406.11807	0.4
407.10852	100.0
408.11145	2.9
429.20306	0.4
431.22488	0.4
447.20441	0.3
453.72238	0.2
686.47687	0.3
687.48090	0.4
689.34741	2.2
725.43848	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71311	0.7
59.01244	5.9
61.98686	0.8
65.82605	0.6
69.25348	0.8
73.96934	0.8
78.95763	11.5
85.32788	0.8
117.03327	22.7
118.04150	1.4
119.04893	32.0
120.05290	1.1
121.02827	3.9
123.04462	1.4
145.02838	100.0
145.07634	1.4
146.03185	2.5
152.99481	8.4
159.80591	0.9
162.03076	1.2
163.03912	20.1
205.26979	0.9
209.11784	1.3
255.23245	1.9
277.21716	1.5
285.20877	1.5
293.21216	4.0
295.22861	3.8
319.73105	1.0
353.44064	0.8
415.25037	5.4
419.28036	2.5
429.20337	1.9
431.22278	1.5
474.42572	1.4
491.40942	1.2
501.39438	1.5
519.40601	5.2
537.41815	1.9
579.42743	5.2
618.87683	1.0
687.48645	21.1
688.49194	2.5
689.48688	7.5
707.45026	1.3
725.46436	45.9
726.47241	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	4.9
77.72784	0.9
78.95760	25.1
81.85289	0.8
96.96816	2.2
117.02592	0.8
117.03324	22.2
119.04887	27.9
121.02839	3.2
145.02835	100.0
145.07404	1.7
146.03168	1.8
152.99469	9.2
163.03903	21.6
171.10172	3.9
198.62541	1.0
237.14381	1.0
241.01089	1.9
255.23357	4.0
267.19635	1.2
273.49460	1.0
277.21790	4.6
285.20947	1.3
293.21204	2.0
295.23013	1.6
415.24976	8.3
429.20651	1.7
431.22055	2.0
519.40515	6.0
537.41284	1.1
579.42877	2.7
637.95020	1.0
665.44159	1.3
687.48499	10.7
689.49628	4.7
725.47003	49.2
726.46497	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	726.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02839	4.2
59.01217	0.4
62.18855	0.4
70.02824	0.7
71.01205	0.4
72.00790	0.7
74.02325	9.6
82.02823	1.3
84.04386	0.7
86.02323	4.9
86.05991	0.9
86.98948	1.6
87.05482	3.0
90.00031	0.9
97.03931	1.2
99.05497	10.9
101.07043	1.7
102.05469	1.5
107.06004	0.5
109.01574	0.8
109.03925	1.1
109.07555	1.3
111.05503	1.0
112.03902	1.5
113.03445	0.6
116.01613	1.1
119.76422	0.5
120.01133	0.8
123.05471	0.9
124.03951	0.7
125.03436	1.3
127.04983	2.0
128.03404	31.2
129.99524	0.6
131.04420	0.9
135.04610	0.4
135.05495	3.0
137.07106	0.6
140.69643	0.4
141.06570	3.1
143.04501	42.5
145.06039	1.7
146.04491	3.9
146.05499	0.7
153.06544	2.2
160.00609	11.6
166.09758	1.9
166.26289	0.6
167.04515	3.4
167.08171	1.7
170.03183	0.5
171.07632	0.8
177.03270	3.7
179.04529	10.1
181.06151	0.8
184.10779	0.8
185.05579	1.1
192.07745	0.9
197.05641	1.0
198.08710	0.8
210.08777	9.0
228.09909	0.8
242.07846	1.3
254.07788	8.7
272.08878	16.0
288.06552	6.5
306.07657	100.0
307.08008	0.9
371.19919	0.5
546.97565	0.5
557.14948	0.5
726.27490	4.5
756.51569	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30108	0.1
57.26489	0.1
64.33723	0.1
65.91260	0.2
73.32581	0.1
78.40951	0.2
83.22275	0.1
84.34782	0.2
91.73322	0.3
92.52953	0.3
103.05403	0.2
115.05389	0.8
131.04897	0.2
143.04912	2.6
149.88503	0.2
158.03635	0.4
159.04407	2.4
169.02831	0.3
171.04411	2.3
182.03656	0.2
185.02307	0.2
186.03200	0.8
187.03926	21.4
188.04332	0.5
197.02342	1.4
198.03235	0.4
199.03941	4.9
213.01881	1.3
214.02657	1.6
215.03444	13.7
216.03894	0.3
225.01912	0.4
226.02626	0.9
241.01416	0.4
242.02161	1.3
243.02971	24.9
244.03424	0.8
269.00925	0.6
287.01981	100.0
287.15091	0.8
288.02313	2.6
349.62973	0.2
383.92511	0.2
756.63806	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	727.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63940	0.8
59.00972	1.2
59.01243	14.8
61.98688	2.0
72.99160	1.3
75.00742	1.1
82.95238	0.9
87.74786	0.8
88.18582	0.9
88.98652	1.0
89.02329	2.1
90.25524	0.9
91.01760	2.0
93.03320	6.8
107.04884	1.9
107.33801	0.9
109.02827	2.4
119.04935	1.0
121.02820	33.9
123.00864	1.0
123.04396	6.5
133.02837	3.4
134.03593	2.2
135.04443	2.0
136.01534	11.6
137.02342	4.3
145.02829	1.8
147.04434	2.7
149.02315	8.7
150.03094	4.1
151.03900	17.1
159.04419	1.7
160.05203	2.7
161.02376	3.5
161.05989	2.7
162.03119	3.8
163.03914	1.9
165.01875	1.5
175.03932	1.2
176.04720	2.4
177.01895	8.1
177.05411	1.3
178.02638	5.6
179.03415	39.5
179.06915	1.3
180.04219	2.9
187.03853	1.1
189.05554	1.5
190.06380	1.5
191.03456	3.4
192.04243	3.4
193.05051	8.0
193.06540	1.3
194.05853	1.6
195.06616	4.6
209.08182	4.2
225.05658	1.6
229.05077	1.2
241.05177	1.4
243.06544	1.0
251.07164	1.2
252.04213	2.1
253.05045	2.1
256.07269	1.0
259.06213	1.4
263.07239	1.5
265.05038	1.2
267.06671	2.6
269.08249	1.2
271.54495	1.1
279.06607	1.9
280.07291	1.2
281.07959	1.2
282.08981	1.4
292.07648	1.5
295.06412	1.4
295.09909	1.3
297.07761	2.5
311.09348	1.8
313.06604	1.3
319.10168	1.1
323.09399	1.6
325.11075	1.4
429.13657	1.5
434.14139	1.2
435.78378	1.6
443.52875	1.1
447.13956	1.3
459.14703	2.4
461.16040	1.4
484.15158	2.4
485.16345	1.9
487.13937	5.1
499.17264	1.5
501.16061	1.3
502.16476	8.7
517.18707	100.0
518.19104	3.0
605.34979	1.4
607.22699	1.2
617.83325	1.4
619.22565	1.5
637.24841	4.2
667.25470	11.7
697.26758	6.2
727.27509	93.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	11.8
61.05408	0.6
61.05682	0.5
61.98679	0.4
65.22578	0.3
68.99667	0.4
69.03316	0.3
69.32260	0.3
71.01223	0.4
72.48848	0.3
77.65283	0.3
78.05182	0.3
82.24519	0.4
88.98681	0.4
91.01742	0.7
91.72681	0.6
93.03314	4.4
94.61669	0.3
94.85373	0.3
105.03297	0.5
107.04868	1.2
108.01994	1.0
109.02828	2.0
119.04871	1.0
121.02821	32.8
122.03657	0.5
122.83534	0.4
123.04362	3.5
133.02814	1.8
134.03618	4.2
135.04398	2.1
136.00569	0.6
136.01550	9.0
136.02582	0.5
137.02344	3.8
143.04927	0.7
145.02792	0.8
145.06490	0.9
146.03612	0.5
147.04399	2.7
149.02345	4.1
149.06020	2.4
150.03120	1.8
151.03897	10.9
152.21283	0.5
152.22350	0.8
158.03638	0.4
159.04434	2.0
160.05214	3.6
161.02330	1.4
161.05968	2.2
162.03142	1.8
163.03902	1.3
165.01855	1.0
165.05533	0.4
171.04439	0.6
172.05185	1.0
173.06055	1.9
175.07524	0.6
177.01843	2.4
177.05478	1.1
178.02570	1.9
179.03409	12.0
180.04124	1.1
187.03906	0.6
187.49173	0.4
189.05559	1.7
190.06201	1.1
191.03409	1.1
191.07063	0.7
192.04178	1.2
193.04999	3.5
195.06546	2.0
201.05431	0.4
205.08679	0.8
215.06934	0.7
223.07733	0.4
226.06284	0.3
227.03482	0.5
228.04218	1.1
229.05048	1.5
230.06018	0.4
237.05554	0.5
239.07108	1.1
241.05098	0.6
242.05847	0.7
243.06619	1.1
244.07387	0.8
245.08121	0.4
247.06102	0.4
249.05458	0.6
250.06331	0.5
251.07237	0.7
252.04237	0.9
253.04951	0.9
254.05759	0.6
255.06636	1.0
256.07498	0.7
257.08047	0.8
258.05411	0.8
263.07199	0.8
264.04184	0.6
265.05029	0.9
265.08783	0.6
266.05841	0.7
267.06619	1.5
269.08154	0.8
270.05365	0.6
271.06091	1.0
272.06946	0.7
273.07736	1.2
275.07101	0.4
276.06317	0.7
277.08447	0.4
278.05814	0.5
279.06558	1.3
280.07419	1.0
281.04993	0.4
281.08157	1.7
282.05295	0.4
282.09045	0.5
283.05981	0.4
285.07718	0.4
287.09415	0.5
291.06650	0.6
292.07526	0.6
293.08261	1.1
294.08749	0.4
295.06088	1.0
295.09509	0.6
296.07004	0.7
296.10239	0.4
297.07730	1.1
299.09344	1.0
305.08234	0.6
309.07837	0.8
309.11389	0.5
310.08484	0.8
311.09171	1.6
317.08206	0.6
321.07938	0.4
322.08261	0.4
323.09164	0.7
325.10812	0.5
335.09131	0.4
345.25845	0.7
355.09610	0.5
367.09656	0.5
367.96487	0.4
371.09149	0.4
372.09930	0.6
373.10886	0.8
374.55975	0.5
383.13049	0.5
384.10385	0.4
385.10706	1.0
386.11493	0.5
387.12558	1.8
388.13031	1.3
398.11221	0.5
399.12448	0.8
401.14151	0.7
402.14688	0.7
404.12732	0.5
409.10968	0.4
411.12296	0.5
413.13947	0.7
414.14847	0.4
417.13293	0.4
418.10483	0.5
425.13959	0.7
426.14703	0.8
427.11560	0.4
429.13599	1.1
431.14972	0.9
432.11761	0.8
433.12988	0.7
434.14255	0.4
437.13937	0.4
438.14713	0.4
439.15479	0.5
443.15009	0.8
446.13751	1.2
447.14474	1.9
448.15274	1.5
455.15198	0.9
456.15741	0.5
457.16684	0.6
458.14020	0.5
459.14520	1.0
461.16318	1.4
467.14771	0.8
469.12302	0.5
471.13873	0.5
473.16016	1.1
484.15973	0.5
485.16342	1.9
486.17050	0.6
487.13882	1.3
489.15570	1.1
493.15332	0.4
499.17261	0.7
502.16183	2.5
517.18677	31.4
518.18848	2.1
537.18030	0.7
547.17407	0.6
559.18793	0.6
561.20172	0.5
562.19989	0.6
573.18781	0.6
575.20667	0.6
577.22699	0.5
589.20795	0.6
591.20276	0.7
607.23389	2.8
619.23108	1.4
621.21497	0.7
637.24738	3.6
667.25543	9.5
679.24976	0.7
685.26910	0.5
697.26556	7.1
711.25275	0.4
727.27661	100.0
728.27893	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	727.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46186	0.3
57.03304	0.7
58.02802	0.3
59.01230	1.4
74.02332	0.6
74.61785	0.3
83.04876	0.6
85.06496	0.4
93.03308	0.4
96.95863	1.7
99.08012	14.1
127.07516	14.8
128.03362	1.2
129.05446	46.7
134.03619	0.6
143.04509	1.8
145.08580	2.4
167.04572	0.4
171.06494	3.1
171.11617	0.4
189.07603	100.0
190.07878	1.0
193.04962	1.5
205.94942	0.4
237.14822	0.6
272.08890	1.0
281.06683	0.5
281.13974	3.2
303.25769	0.6
306.07684	3.5
307.08047	1.2
437.46265	0.4
464.05093	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	11.2
71.01257	7.5
72.35619	1.3
85.02795	1.6
87.00747	1.7
87.36418	1.6
89.02286	9.2
91.72689	2.6
96.95881	3.4
100.81721	1.6
101.02328	7.2
113.02371	2.4
114.10078	1.8
119.03382	2.8
125.02299	2.6
139.87709	1.5
179.05647	2.3
195.13855	5.0
199.63359	1.6
209.11838	2.7
223.13373	3.5
224.29012	1.9
235.08342	2.9
253.09100	1.7
275.20276	4.1
284.92126	1.8
293.21243	100.0
397.13556	32.6
415.14600	34.9
533.08521	2.8
565.11273	3.6
691.35309	14.6
727.33258	68.5
727.46252	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	18.2
60.64156	4.8
61.98711	4.7
71.01236	6.2
73.72487	4.2
74.40586	4.4
78.14784	3.8
78.95760	19.5
79.38459	4.8
81.61368	4.5
89.02295	10.1
95.72002	4.7
96.95889	9.6
99.31132	5.2
101.02315	10.3
111.92186	5.1
113.02357	6.2
117.69211	4.6
122.20692	4.7
131.06493	5.1
145.02849	6.4
163.81096	4.3
164.36118	5.2
197.35782	5.2
209.11806	7.0
293.21243	100.0
339.19604	5.2
351.85907	5.6
397.13531	35.5
415.14758	30.9
477.10095	7.9
691.35370	17.8
727.33148	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	727.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41442	1.5
57.84434	1.5
59.01242	11.1
61.93913	1.6
71.01280	2.1
75.36451	2.0
78.95776	2.4
87.00761	2.4
88.22783	2.1
90.54881	1.8
92.66515	1.8
96.44669	2.1
96.95911	5.4
104.17174	2.3
111.95061	1.8
113.04405	1.8
141.17392	2.3
151.11243	3.1
152.99490	2.8
154.26549	1.8
169.12231	100.0
170.12668	2.8
171.10156	22.9
183.01149	27.8
213.11250	3.4
235.08336	6.0
249.18591	73.5
253.09427	7.4
277.21518	3.9
311.16879	94.4
405.21271	7.5
407.19690	2.9
448.37167	2.3
464.07141	2.3
590.67224	2.5
652.95734	2.9
681.38599	21.9
699.39551	21.6
727.39325	8.6
756.76373	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	727.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66224	1.7
55.10337	0.7
59.01242	20.0
67.54166	0.7
71.01257	1.9
78.95750	2.6
81.84182	0.9
81.86282	0.8
85.02810	1.0
89.02322	1.5
90.45150	0.9
91.73336	1.0
101.02337	1.5
107.77099	1.0
119.04880	1.4
127.11140	1.1
152.99449	1.6
169.43050	0.9
171.10175	79.8
183.01227	1.2
197.11771	1.2
235.08182	2.9
253.09227	6.8
275.23740	1.2
277.21738	100.0
278.22015	1.4
278.71643	1.3
339.19995	3.5
403.91711	1.1
436.04385	1.2
449.47119	1.1
574.17377	1.5
726.72003	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53808	0.7
53.66216	1.3
54.13033	0.6
55.50491	0.7
59.01237	14.4
60.12402	1.0
65.86874	0.7
71.01236	1.4
78.95789	1.1
87.83287	0.7
89.02305	1.9
101.02318	1.2
104.29698	0.8
116.02357	1.1
119.04870	0.9
125.09648	0.8
127.11139	1.9
145.02844	1.0
152.65379	0.8
154.10332	0.8
168.29015	0.8
171.10164	100.0
171.15935	1.3
183.01112	2.9
235.08209	1.1
253.09299	5.1
259.51279	0.9
277.21722	54.4
319.26376	1.8
339.20099	7.4
345.42154	1.0
363.25488	2.5
407.19321	3.0
727.38367	1.4
756.60004	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09272	0.9
57.03331	0.9
58.12622	0.9
59.01255	1.5
64.45197	0.9
64.81230	1.2
66.02367	0.8
67.02818	0.8
67.98940	0.9
77.88000	0.9
78.95762	100.0
93.97200	1.1
95.85283	1.0
95.90968	0.9
96.96829	10.7
113.09607	1.5
125.95826	1.0
134.98354	1.4
150.97926	1.8
152.99475	69.2
171.00618	1.2
179.14314	1.6
195.13841	20.9
208.99274	1.1
267.19687	1.3
277.21750	20.9
279.23343	7.6
295.22787	84.2
296.23218	1.4
348.37891	1.2
350.10538	1.1
394.64859	1.1
415.22723	2.1
431.22058	45.3
432.22382	2.0
449.23239	13.4
530.42328	1.1
669.93481	1.2
727.45642	68.6
728.45868	4.2
756.59308	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04577	3.7
59.08875	4.1
62.41237	4.8
78.95769	15.2
113.98206	4.7
125.08710	5.1
129.10237	5.9
130.08592	37.8
140.07069	8.7
152.99472	13.0
168.11305	37.5
186.12395	11.4
199.18147	10.1
221.39154	5.6
238.13600	6.9
243.17088	7.4
279.23227	6.9
353.71643	6.0
359.15533	6.5
427.21674	6.6
434.37506	43.4
452.38577	35.5
482.39706	23.6
489.30762	7.8
568.24261	6.4
691.53821	100.0
692.54523	7.8
727.50793	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28069	1.0
53.70296	1.0
57.03312	2.8
58.62110	1.2
59.01241	13.6
70.45111	1.1
70.92686	1.2
71.01241	7.8
72.99177	1.9
81.03309	3.3
83.01241	16.6
83.37845	1.1
89.02298	16.0
93.03304	2.9
95.04890	3.4
97.02818	4.1
101.02298	5.4
105.03329	1.3
106.41919	1.2
108.02036	4.0
109.02811	20.4
110.03072	1.2
110.91206	1.3
111.97777	1.2
113.02311	3.8
119.03369	4.9
119.04897	1.3
121.02822	9.0
122.03632	1.5
123.04396	16.2
124.01518	3.5
125.02311	88.4
127.52498	1.3
133.02821	2.7
135.04378	4.4
137.02328	31.8
137.35248	1.3
139.03868	5.3
145.02858	1.7
146.03633	1.6
147.04405	18.0
149.02332	15.3
149.04388	2.6
150.02995	1.5
151.03888	12.2
159.04474	3.6
160.05231	2.1
161.02333	3.6
161.04622	1.8
161.05992	5.6
162.03111	2.4
163.00302	2.1
163.03893	4.2
164.01038	4.6
165.01848	5.6
165.05441	1.6
167.03429	3.5
175.03940	8.1
176.00984	2.3
177.01846	100.0
177.05455	5.5
178.02316	2.3
178.06233	3.6
179.03415	5.9
179.05513	4.7
185.06030	2.0
187.03932	9.7
188.04704	4.0
189.01840	2.9
191.03438	2.4
193.04897	1.8
193.08641	4.0
201.05495	1.9
202.06201	1.8
203.07124	12.1
205.04970	9.5
213.05484	1.7
214.02910	1.6
215.03503	2.1
217.05086	1.4
221.08127	2.9
227.07256	1.8
229.05019	3.3
231.02911	2.1
243.02896	1.7
245.08194	13.3
246.05350	5.7
247.06190	2.3
253.05000	1.6
255.02986	4.8
256.03778	4.7
257.04495	4.2
261.07684	80.0
262.08047	3.3
267.02966	1.8
269.04709	2.6
270.72598	1.6
281.04517	2.7
289.07196	78.1
290.07498	2.5
297.04037	2.2
311.09412	1.9
313.07404	1.7
315.05130	2.0
323.09177	1.8
327.10745	11.9
339.08713	4.6
352.70554	1.4
407.07718	15.1
409.09222	9.2
419.07761	5.8
439.10532	12.2
467.09869	9.8
517.15240	2.9
543.13043	32.5
544.13501	2.6
553.89874	1.7
561.14154	26.7
562.14551	2.5
577.13525	3.8
729.18188	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	729.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70405	1.3
53.72654	1.5
59.01243	16.6
60.32365	1.7
61.98706	7.9
62.83884	1.4
64.79845	1.6
88.98672	5.2
93.03350	7.4
107.04903	2.4
108.02061	2.1
109.02830	3.5
112.63491	2.0
113.52530	1.8
117.01187	1.9
119.73210	2.0
121.02817	12.5
123.04415	4.1
124.01552	3.0
125.02356	3.5
130.71190	1.8
133.02916	2.9
134.03607	2.9
135.04367	3.1
136.01573	4.2
137.02319	3.1
146.03642	2.9
147.04465	2.6
149.02383	8.4
150.03123	10.5
151.03848	11.9
159.04410	2.7
160.05157	1.9
161.02341	2.7
161.06007	2.3
162.03148	4.4
162.75694	2.3
163.03862	3.2
164.04659	2.9
165.05545	4.6
175.04018	3.0
177.01871	7.6
177.05504	3.5
178.02620	5.4
179.03413	36.2
179.07045	2.7
180.04233	4.9
191.03445	2.6
192.04224	3.8
193.05067	8.1
194.05859	2.4
195.06628	6.2
221.71065	2.2
225.05440	2.2
231.85139	1.9
234.34230	2.1
239.07141	3.1
266.06079	3.0
267.06683	10.5
281.08197	12.4
282.09073	5.2
296.10648	7.1
314.08075	8.3
328.09668	7.7
447.20486	2.5
459.20087	4.6
477.21338	15.6
489.12381	4.2
489.19318	15.7
490.19385	2.7
519.20380	100.0
520.20648	5.3
531.16827	2.9
535.19958	3.0
549.18085	3.2
669.24799	7.5
693.37183	4.0
699.24915	5.4
709.06061	2.4
729.25415	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	729.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70405	1.3
53.72654	1.5
59.01243	16.6
60.32365	1.7
61.98706	7.9
62.83884	1.4
64.79845	1.6
88.98672	5.2
93.03350	7.4
107.04903	2.4
108.02061	2.1
109.02830	3.5
112.63491	2.0
113.52530	1.8
117.01187	1.9
119.73210	2.0
121.02817	12.5
123.04415	4.1
124.01552	3.0
125.02356	3.5
130.71190	1.8
133.02916	2.9
134.03607	2.9
135.04367	3.1
136.01573	4.2
137.02319	3.1
146.03642	2.9
147.04465	2.6
149.02383	8.4
150.03123	10.5
151.03848	11.9
159.04410	2.7
160.05157	1.9
161.02341	2.7
161.06007	2.3
162.03148	4.4
162.75694	2.3
163.03862	3.2
164.04659	2.9
165.05545	4.6
175.04018	3.0
177.01871	7.6
177.05504	3.5
178.02620	5.4
179.03413	36.2
179.07045	2.7
180.04233	4.9
191.03445	2.6
192.04224	3.8
193.05067	8.1
194.05859	2.4
195.06628	6.2
221.71065	2.2
225.05440	2.2
231.85139	1.9
234.34230	2.1
239.07141	3.1
266.06079	3.0
267.06683	10.5
281.08197	12.4
282.09073	5.2
296.10648	7.1
314.08075	8.3
328.09668	7.7
447.20486	2.5
459.20087	4.6
477.21338	15.6
489.12381	4.2
489.19318	15.7
490.19385	2.7
519.20380	100.0
520.20648	5.3
531.16827	2.9
535.19958	3.0
549.18085	3.2
669.24799	7.5
693.37183	4.0
699.24915	5.4
709.06061	2.4
729.25415	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	729.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	1.7
59.36834	0.5
68.99670	0.6
71.01201	0.5
75.00728	1.1
75.11920	0.5
78.78764	0.5
88.98624	0.5
108.02023	2.1
109.02815	2.5
109.86009	0.5
114.08755	0.6
114.79618	0.5
116.06475	0.5
120.97306	0.5
121.02822	2.2
123.04390	1.7
126.10348	0.6
127.15058	0.5
134.03616	1.9
135.04376	1.9
136.01547	11.3
137.02332	4.0
146.03622	6.6
147.04376	1.3
149.02293	1.0
149.05893	0.9
150.03099	2.9
151.03902	10.2
161.02338	1.2
161.05975	2.3
162.03114	4.3
163.03877	2.9
164.04710	4.2
165.05423	1.5
173.06042	0.6
175.03922	1.7
176.04706	1.0
177.01904	0.9
177.05435	3.2
178.02652	2.0
179.03329	1.2
179.07094	2.0
180.04192	4.3
181.04913	0.7
185.99010	0.5
189.05450	0.8
190.06136	0.9
193.05005	2.6
194.05775	2.0
195.06560	11.2
211.04080	0.7
225.05522	0.9
227.03476	1.0
228.04211	1.3
229.05040	1.5
230.05803	0.8
237.05225	0.6
240.04449	0.7
241.05064	0.9
242.05835	0.7
243.06682	0.7
244.07530	0.6
255.02985	0.8
255.06693	0.8
257.04501	2.0
258.05261	0.8
259.35077	0.6
267.06644	1.6
269.04678	1.5
270.05350	2.4
271.06229	1.5
272.03351	0.7
272.06885	0.9
273.04150	1.2
274.44595	0.6
279.06744	0.9
280.03705	0.9
281.04483	1.6
282.05048	0.6
283.06152	1.9
283.09399	0.8
284.03253	0.7
285.07715	1.9
287.05652	1.0
293.08228	0.9
295.06058	1.2
296.06836	0.8
297.07608	1.8
298.04733	0.7
299.05606	1.7
304.05908	1.5
311.09341	1.8
313.07251	1.8
316.05826	0.9
324.06479	0.9
325.07202	0.8
346.36411	0.7
380.57919	0.6
385.11053	0.8
403.07993	0.7
415.12152	0.8
417.13599	0.7
430.10440	0.7
431.11130	0.8
432.15903	1.6
433.12656	0.9
445.12924	3.9
445.18054	0.6
447.14777	1.0
449.12039	1.2
450.13165	1.4
459.14960	3.7
460.15823	3.6
461.11975	3.2
463.14658	1.0
464.14572	0.9
475.13895	1.5
475.20013	1.2
476.14938	0.9
477.11197	0.9
478.12222	1.2
487.14087	1.4
489.11905	2.7
491.15500	0.6
492.14270	0.7
493.14999	10.7
503.13412	1.3
504.14249	2.6
505.14352	5.0
507.16461	1.8
517.14526	1.5
519.16766	24.0
520.17523	1.0
534.15387	1.8
549.17676	24.6
550.18164	2.0
567.18781	11.0
625.20697	0.7
669.23120	0.9
681.23053	1.7
693.23474	1.1
699.24518	4.9
711.24585	0.8
729.25629	100.0
730.26031	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	729.359
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95767	0.9
95.06011	0.4
96.54617	0.7
96.55129	0.6
96.93537	0.4
98.95172	0.9
98.95737	0.7
103.91942	0.5
108.10783	0.4
108.76630	0.4
110.76916	0.4
119.04903	2.6
121.02813	4.0
122.89291	5.1
125.73188	0.3
134.03593	0.8
136.09851	0.3
182.92989	0.6
195.93773	1.5
196.94496	1.1
198.92494	1.4
200.94107	0.5
208.94525	0.7
210.96172	1.4
211.93398	0.7
214.95612	6.4
222.67152	0.4
226.92024	1.2
228.97061	0.6
236.93983	0.5
273.22302	8.1
273.25067	0.3
275.23880	1.2
276.24225	0.6
280.03510	0.4
282.03036	0.5
319.22736	0.5
363.11896	1.4
365.13400	34.5
366.13730	1.2
381.12485	0.8
383.14502	37.8
383.33310	0.5
384.14560	0.9
396.11758	1.2
408.13235	0.6
409.12415	100.0
410.12775	2.5
467.22379	0.6
480.47955	0.5
494.21249	0.6
692.37592	1.0
693.37823	9.4
753.71259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	91.7
61.98689	20.8
63.19314	13.5
69.64662	13.6
72.14990	16.3
73.27647	14.9
78.95771	19.3
97.76598	13.6
105.81964	14.8
111.66779	15.1
113.66156	17.9
122.21838	14.6
145.02831	19.3
152.99438	17.6
183.01122	24.4
225.11296	73.7
249.18672	48.9
277.21799	21.1
461.20227	38.6
547.71954	21.5
693.38263	31.6
729.36658	100.0
729.50665	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	729.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18319	1.9
58.41649	1.9
59.01241	100.0
59.02294	2.0
59.30215	2.1
64.53156	2.4
68.97127	2.4
77.59174	2.9
78.95764	5.2
81.17158	2.4
86.80861	2.7
92.99669	2.5
99.00700	3.3
108.33236	2.6
116.76339	3.0
141.12772	3.9
152.99538	4.8
175.02341	3.1
197.08096	6.2
200.53545	2.7
202.42728	3.1
246.34709	2.8
249.95776	3.0
267.19751	4.4
277.21768	33.1
285.20782	8.7
289.21738	33.0
327.21786	8.7
333.20654	34.9
370.36725	3.0
373.27457	3.7
395.24429	4.7
693.38715	7.5
729.36572	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90984	0.3
51.84652	0.4
54.38079	0.3
54.41876	0.3
55.50527	0.3
61.84535	0.3
64.19235	0.4
64.41960	0.3
72.79724	0.4
74.95414	0.3
77.34176	0.4
78.95735	0.7
80.52931	1.3
80.53436	0.9
92.02499	0.8
106.04112	2.6
119.04895	6.8
121.02121	0.4
121.02826	3.9
133.06458	2.4
161.09569	0.7
175.11098	0.6
265.15573	0.7
301.25372	100.0
302.25717	2.7
345.24371	99.2
346.24643	2.8
361.23886	0.5
463.23785	0.5
729.44751	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	729.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81569	0.3
56.44498	0.3
58.99925	1.2
59.01241	100.0
59.02413	2.0
60.01585	0.3
60.10547	0.2
61.98687	0.4
63.51950	0.3
71.82584	0.3
75.00705	0.3
78.95764	0.5
89.22179	0.3
90.05178	0.3
96.95878	0.6
108.78738	0.4
152.99420	0.4
193.41837	0.3
203.58485	0.4
210.92133	0.3
267.19626	2.9
285.20734	8.4
286.21179	0.5
293.17880	1.4
301.25525	1.2
302.65118	0.4
327.21811	8.5
345.24326	1.4
361.23874	0.6
383.86188	0.3
469.09171	0.4
469.93942	0.3
595.42523	0.5
729.49304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54142	0.3
59.00190	1.1
59.01241	100.0
59.02410	2.1
63.57304	0.6
63.81343	0.4
80.67196	0.4
84.21632	0.4
91.78218	0.4
119.04943	0.5
124.45263	0.4
125.69840	0.5
150.61662	0.4
151.25887	0.5
156.64601	0.5
168.51968	0.4
171.10266	1.1
267.19699	5.5
275.24115	0.5
277.21759	0.5
278.22202	0.7
285.20758	3.0
301.25464	1.7
317.24854	0.8
327.21774	2.1
345.24503	1.3
356.62311	0.7
387.25546	1.3
477.71420	0.5
535.40546	1.3
553.41364	1.5
595.42224	12.3
705.16382	0.6
729.48535	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00972	1.2
59.01244	15.9
59.87016	0.9
65.54364	1.0
66.47722	0.9
67.26508	0.9
70.14816	0.9
75.10825	1.0
75.80016	1.0
78.95763	4.9
79.11887	0.9
80.34575	1.1
90.52110	1.0
93.53245	1.0
117.03326	27.8
118.04158	2.6
119.04899	30.0
121.02826	8.5
123.04425	2.0
133.02812	1.3
145.02846	50.5
146.66031	1.3
152.99467	2.1
162.01820	1.2
162.03148	3.4
163.03897	15.8
234.66653	1.1
267.19693	3.9
317.21338	2.2
354.67545	1.4
394.15796	1.2
401.26694	1.5
419.28311	6.9
472.30823	1.9
669.47522	21.7
687.48804	7.6
729.49597	100.0
730.49829	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	729.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00970	1.3
59.01244	18.0
78.95732	2.1
113.57617	0.9
117.03332	35.5
118.04095	3.7
119.04897	33.9
119.05759	1.7
121.02821	10.3
123.04375	2.0
133.02826	3.6
135.71985	0.9
145.02834	55.2
162.03142	2.8
163.03915	14.4
197.66095	0.9
202.68890	0.8
216.59309	0.8
267.19659	3.5
269.21194	0.9
272.64020	1.2
285.20923	1.5
299.15567	1.0
335.10699	1.3
343.26312	1.6
375.64838	1.0
401.27158	1.5
419.27948	6.9
468.78165	1.0
472.30936	1.2
576.94940	1.0
669.47455	19.0
687.48401	8.2
729.49530	100.0
730.49792	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	730.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
64.95129	1.9
66.03368	1.1
71.99006	1.8
74.00554	13.0
80.04958	1.0
80.76196	0.6
82.06508	1.5
84.08043	1.0
85.03922	5.6
86.02377	2.9
87.05491	9.5
87.05937	0.7
94.06503	1.0
96.03165	1.5
96.08067	0.8
96.95887	1.3
97.00323	1.2
97.03934	3.3
98.02373	1.2
102.57790	0.7
110.33365	0.6
111.01904	2.2
113.03423	9.5
114.09171	0.6
115.08631	10.1
116.08962	0.6
120.01112	9.2
120.01820	0.8
122.04768	1.2
124.02649	1.0
125.03392	0.7
125.07099	1.7
128.39806	0.6
129.10196	8.9
129.11029	0.7
130.08688	2.0
137.10733	0.8
139.05037	1.4
139.08647	7.4
140.07050	8.7
140.07999	0.6
140.10701	0.8
141.06552	4.7
141.10220	1.3
144.04750	3.5
148.36649	0.6
151.08658	1.1
151.98378	2.5
153.10208	4.1
155.08133	8.3
155.11755	6.1
156.07741	1.0
165.10226	10.9
165.11519	0.8
166.07402	1.8
166.09821	0.9
167.08165	7.7
167.11812	1.0
169.09756	1.4
169.13524	0.7
181.09760	6.8
181.17081	0.7
182.12901	12.3
182.14346	0.9
183.11302	9.0
183.12668	0.7
183.14992	0.9
184.10811	6.1
186.12546	0.7
187.09105	0.9
193.13506	1.3
194.11813	1.8
195.15149	0.8
197.16479	7.7
198.12416	0.9
200.13974	16.7
207.15044	2.8
208.10904	1.1
208.13417	1.0
210.16096	1.4
211.09608	1.0
211.14499	5.6
223.14557	2.1
225.16031	1.4
226.11922	17.1
226.15520	0.8
228.17073	3.6
236.17688	0.8
238.15749	1.2
252.20769	1.6
254.15082	4.9
254.18785	1.8
262.15448	0.8
264.17224	1.0
268.17218	1.3
268.20328	10.3
279.18372	0.7
281.19830	15.0
294.18469	1.0
295.21478	2.5
297.19653	1.0
299.20874	7.5
307.17816	0.8
309.19391	2.1
313.22620	1.2
323.20752	0.9
325.18799	11.8
325.22339	1.0
327.20514	1.7
350.22067	4.1
367.27261	2.0
368.23022	39.2
381.28687	2.5
382.24603	1.2
391.27008	0.8
407.26651	5.3
410.27908	1.8
435.26324	1.5
436.29553	1.8
452.28934	1.9
490.34177	2.4
533.38385	3.2
575.35486	7.2
577.37244	100.0
578.37408	3.7
609.34442	54.3
610.34930	1.8
611.36053	21.0
656.12079	0.8
730.36420	45.9
731.36884	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	731.2716
Annotation	Shizukaol B
Peak:m/z	Relative Intensity
58.88733	1.1
59.01242	1.4
60.55758	1.0
61.98690	1.9
62.76556	1.0
72.77705	1.1
89.75730	1.2
93.69827	1.4
100.94605	1.1
108.02043	4.8
109.02807	8.6
110.10226	1.3
121.02813	3.9
122.03574	1.7
123.04393	3.5
133.02811	1.9
134.03606	4.6
135.04445	3.2
136.01523	21.5
137.02315	5.8
145.02808	1.9
146.03616	36.7
147.04395	3.7
149.02286	3.5
150.03119	3.7
151.03880	19.6
159.04404	1.3
161.05980	13.2
162.03117	9.3
163.03961	14.2
164.01031	1.5
164.04692	32.9
165.05461	2.9
166.02615	3.5
174.03120	2.2
175.03883	3.5
176.04729	3.1
177.05461	11.3
179.03406	2.9
179.07042	25.3
181.04970	4.9
192.04219	3.7
193.04987	3.2
195.06609	2.7
207.06563	4.0
215.07036	1.8
228.04214	3.2
229.05003	3.0
241.05142	1.6
243.06638	4.9
255.06677	2.9
256.07492	1.9
258.05328	2.6
265.04694	1.5
267.06561	3.2
270.09183	1.7
273.07791	4.1
280.07196	1.4
281.08173	2.7
283.06119	1.6
287.09598	1.9
290.07916	2.1
295.06015	2.0
299.09229	3.6
310.08575	1.9
313.10818	2.5
314.08008	1.7
325.10837	3.2
343.11826	2.7
417.13666	1.5
448.11816	2.5
460.15472	2.7
463.14011	7.7
465.15323	2.4
477.15530	2.3
478.16446	11.8
489.19519	2.0
491.17056	3.2
493.18527	5.3
519.20148	12.7
535.19879	6.1
536.16925	4.1
537.22302	1.8
551.19257	60.6
671.24847	2.2
701.25903	14.3
702.07104	2.0
713.25635	3.1
731.27173	100.0
732.27167	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	731.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95753	5.3
87.23943	1.3
106.04133	2.6
119.04884	8.1
121.02824	6.4
133.06477	3.9
152.99506	7.4
205.15942	4.9
233.15479	4.6
273.22250	100.0
274.22733	4.7
309.84207	1.6
317.21213	97.6
318.21448	3.3
329.27872	2.1
345.28036	24.1
346.28574	1.8
347.29556	45.8
348.29941	2.4
389.26953	2.0
391.28598	51.4
392.28702	1.7
495.23935	2.8
516.27509	2.1
537.01276	2.0
579.79877	1.9
731.48840	28.9
732.47858	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	731.496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01841	0.4
59.00136	1.5
59.01242	100.0
59.02520	1.6
61.98694	0.7
63.14193	0.5
78.95776	0.8
112.27577	0.4
125.09599	0.4
148.82399	0.5
151.04739	0.4
152.99493	0.5
189.52782	0.4
207.76715	0.5
267.19751	2.3
285.20718	3.3
287.22266	4.2
325.07004	0.5
327.21854	4.6
329.23505	1.6
359.56442	0.6
484.42831	0.5
597.44086	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	12.0
78.51096	1.0
78.95747	5.1
111.97738	1.2
117.03327	25.7
118.04148	1.8
118.62263	1.3
119.04898	31.2
120.05230	2.2
120.25842	1.2
121.02825	7.8
123.04401	3.6
133.02888	2.4
135.29282	1.4
145.02834	48.7
151.78238	1.3
152.99448	6.0
161.89737	1.5
162.03084	1.4
163.03897	12.2
258.91785	1.5
269.21378	9.1
279.22885	1.3
287.22321	2.3
317.21246	1.6
327.27097	2.7
331.30466	1.4
345.27985	3.7
346.28665	1.6
389.27081	9.1
419.28036	13.6
433.42068	1.3
495.23914	2.9
590.58948	1.4
671.48956	16.4
672.49414	1.6
689.49872	5.4
731.51117	100.0
732.51373	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	731.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49857	0.9
58.60888	0.9
59.01239	16.3
67.24837	0.9
72.46614	1.0
78.95759	5.3
89.21840	1.0
91.72767	2.2
117.03333	33.1
117.23584	1.1
118.04095	3.2
119.04889	34.8
121.02818	8.3
123.04324	1.2
133.02809	2.6
145.02834	52.1
145.03978	2.7
152.99440	7.1
158.05777	1.3
162.03151	3.2
163.03918	14.5
176.23201	1.2
197.99590	1.2
242.01167	1.3
259.20682	1.4
269.21225	8.0
274.22519	2.0
287.22369	1.9
317.21103	1.9
327.26944	2.2
345.27997	8.2
346.27460	1.3
389.26959	9.2
401.27066	3.3
419.28085	16.6
495.23605	3.8
535.26892	1.5
628.08575	1.4
658.80933	1.4
671.49066	18.1
689.50134	6.2
731.51117	100.0
732.51080	6.2
756.68964	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	732.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.1
61.98683	2.7
70.19163	1.0
70.87307	1.3
71.01228	1.5
71.27901	1.1
78.93983	1.9
78.95759	100.0
78.97734	1.2
85.02822	1.6
96.95853	4.4
96.96816	20.4
98.01314	1.2
113.02306	3.0
160.99263	1.2
241.01176	27.8
247.58351	1.3
259.02176	3.3
337.07639	1.6
435.05386	7.4
556.29028	6.2
583.05927	1.7
732.32220	66.0
733.32880	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	733.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35429	0.2
56.74980	0.2
59.01231	0.3
62.51676	0.2
72.66299	0.2
79.95603	1.6
82.02828	1.0
93.50223	0.3
96.93554	1.3
96.95867	100.0
96.98528	1.3
111.95054	0.4
112.03915	0.3
120.04420	0.5
129.05434	0.6
129.57567	0.3
136.07568	0.3
138.09196	0.4
148.03932	6.5
149.04695	0.4
150.05473	3.6
154.05014	0.5
157.44678	0.3
160.03943	2.3
161.04715	13.4
162.05525	0.6
164.03464	0.4
166.58308	0.4
173.03470	1.2
174.04256	1.6
174.05440	0.5
175.05029	12.1
176.05756	0.8
179.08133	0.3
186.05434	0.4
187.06374	0.6
188.07178	0.4
189.06639	0.6
190.07401	2.0
191.08183	1.1
200.07262	0.4
201.07707	0.5
201.09322	0.6
202.08725	2.6
203.04518	3.3
203.08211	0.4
204.06473	0.3
216.06627	1.3
217.07385	0.5
217.09570	0.3
228.06723	0.4
229.07385	0.5
231.07780	0.5
232.08533	2.5
233.09270	7.1
235.20923	0.3
243.11418	0.4
244.09808	16.1
245.09352	1.2
263.10492	0.5
286.09637	0.7
287.10406	1.3
287.14014	0.3
288.08780	1.8
301.43909	0.3
305.11533	2.5
312.13596	0.7
326.52042	0.5
338.11478	1.7
339.12213	0.4
344.04202	0.3
369.28180	0.3
370.17752	0.8
382.17920	0.4
442.20056	0.8
468.17786	18.3
469.18094	0.8
472.20862	2.7
506.12466	1.9
605.26227	5.8
606.27100	0.4
617.26013	0.4
635.27307	13.7
636.27881	0.7
733.24042	0.7
735.89612	0.3
748.30457	0.4
755.29584	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07063	0.2
59.01226	0.3
65.99714	0.2
72.51714	0.2
73.19823	0.2
75.57586	0.2
76.16438	0.2
79.95583	1.7
82.02837	0.8
96.04440	0.4
96.93050	1.0
96.95870	100.0
96.98330	1.6
112.03924	0.7
120.04411	0.5
129.05470	0.5
132.04242	0.3
134.06056	0.3
136.07509	0.4
138.05568	0.3
138.09126	0.5
148.02806	0.5
148.03937	6.6
148.07513	0.3
149.04700	0.5
150.05498	4.1
154.04997	0.7
160.03917	1.8
161.04718	12.9
161.10043	0.3
162.05489	1.1
164.03432	0.4
173.03520	1.2
173.04729	0.3
174.04245	1.7
174.05542	0.7
175.05038	12.5
176.05830	1.1
177.06679	0.2
186.05565	0.3
187.06313	0.6
189.06627	1.1
190.07402	2.3
191.08138	1.5
200.10738	0.3
201.07771	0.6
201.09250	0.6
202.07233	0.2
202.08717	2.1
203.04530	3.9
203.08247	0.4
204.06776	0.3
214.11143	0.3
215.05904	0.4
216.06625	1.5
217.07451	0.3
226.08827	0.2
228.06580	0.4
229.07388	0.6
231.07788	0.5
231.21474	0.3
232.08527	3.2
233.09290	7.1
233.11577	0.5
242.08186	0.4
244.09822	18.5
245.09207	1.3
259.07513	0.3
263.10394	0.7
283.87146	0.3
286.09741	1.1
287.10425	2.3
287.13818	0.4
288.08829	1.8
295.10825	0.4
304.10602	0.4
305.11459	3.6
312.13461	0.5
338.11496	1.1
339.12195	0.4
370.17719	0.7
412.18848	0.3
424.18665	0.4
442.19669	1.1
450.17770	0.3
467.16888	0.4
468.17776	21.2
469.18225	0.4
472.20969	3.0
506.12445	1.7
530.08942	0.3
605.26257	7.6
635.27289	16.4
636.28369	0.3
643.21240	0.4
733.24310	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
67.20079	7.6
72.51514	7.7
86.01195	9.8
87.51005	11.3
91.09758	10.6
91.73349	11.4
94.65881	9.9
111.95079	9.4
115.71218	9.0
149.46138	9.8
166.09821	12.1
189.93782	10.5
199.00060	10.5
233.45134	10.8
247.09749	10.8
436.17676	14.9
733.34064	100.0
744.04999	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	733.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57229	1.7
58.37214	1.8
59.01236	3.8
65.35701	1.7
78.95758	5.3
91.72679	2.8
96.95870	9.9
97.46271	2.1
100.99612	2.8
125.09657	2.5
127.11119	3.0
139.11139	2.7
155.10632	4.1
157.12250	2.7
194.97333	2.2
247.20630	15.5
265.21744	8.8
268.95328	2.5
291.19733	5.1
309.20798	20.7
313.23782	5.0
327.21762	37.6
331.24887	56.2
345.22842	48.9
349.38678	2.5
401.25433	5.7
419.26297	6.4
516.22595	2.7
549.27911	2.4
641.46954	3.3
733.51166	100.0
734.52087	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57229	1.7
58.37214	1.8
59.01236	3.8
65.35701	1.7
78.95758	5.3
91.72679	2.8
96.95870	9.9
97.46271	2.1
100.99612	2.8
125.09657	2.5
127.11119	3.0
139.11139	2.7
155.10632	4.1
157.12250	2.7
194.97333	2.2
247.20630	15.5
265.21744	8.8
268.95328	2.5
291.19733	5.1
309.20798	20.7
313.23782	5.0
327.21762	37.6
331.24887	56.2
345.22842	48.9
349.38678	2.5
401.25433	5.7
419.26297	6.4
516.22595	2.7
549.27911	2.4
641.46954	3.3
733.51166	100.0
734.52087	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	734.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	29.3
71.01235	12.5
84.86538	3.6
85.02787	4.6
86.09980	4.2
89.02304	23.5
101.02308	10.2
109.64902	4.6
113.02298	12.6
119.03336	8.6
127.84010	4.2
177.63773	4.8
179.05464	6.0
201.89943	5.2
211.20599	5.6
256.08917	4.8
508.52121	4.8
518.45856	12.4
536.47137	9.4
698.52130	100.0
734.49994	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	735.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99955	0.5
53.21846	0.5
57.03301	0.8
59.00158	0.8
59.01242	39.6
65.59007	0.6
69.03288	1.2
71.01238	25.1
72.99148	1.3
73.02803	4.9
76.17333	0.6
81.03271	0.9
82.28285	1.4
82.28714	0.8
83.01250	3.4
85.02805	7.5
87.00734	6.0
89.02294	30.4
91.03827	0.8
91.72668	0.7
93.03291	0.6
95.01201	1.1
97.02799	5.1
99.00718	2.2
99.04362	0.6
101.02298	24.6
101.49534	0.6
105.65778	0.5
111.04354	1.3
113.02303	11.3
117.54652	0.7
119.03352	9.2
125.02315	10.3
133.04906	1.1
136.63010	0.6
141.01807	1.0
143.03366	4.8
149.04340	0.9
156.26669	0.8
161.04475	5.7
167.03317	0.8
169.04976	0.7
172.13112	0.6
179.05499	6.2
185.04463	1.2
197.84546	0.6
200.33209	0.8
217.07140	0.9
219.05006	0.7
221.06642	1.9
235.08211	11.6
253.09258	2.9
263.07858	1.0
274.18271	0.8
277.21729	84.0
278.22113	2.1
287.07669	3.2
305.08786	4.2
321.08624	1.1
323.09863	2.4
397.13535	100.0
398.14200	1.6
415.14590	32.7
473.92612	0.8
585.56335	0.8
675.36176	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
71.78097	0.1
79.95586	1.9
96.93054	0.8
96.95870	100.0
96.98333	1.6
99.46184	0.2
123.91571	0.1
127.64373	0.2
147.19594	0.2
246.94217	0.2
258.38947	0.2
259.02576	0.3
271.02524	0.7
287.01950	1.0
315.01535	1.8
316.02267	1.2
330.03799	2.2
331.04581	1.0
336.69916	0.2
580.40741	0.2
639.15723	3.8
756.12280	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	738.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61940	0.3
58.77571	0.3
59.01240	2.3
61.97524	1.6
61.98692	100.0
62.00034	1.7
66.86845	0.3
71.01244	1.6
71.33392	0.3
73.02804	0.3
83.01303	0.4
85.02795	0.4
87.00733	0.5
88.05987	0.3
89.02299	2.4
90.02645	0.4
97.02804	0.3
101.02322	1.3
102.02689	0.4
113.02291	0.4
119.03410	0.7
125.02357	0.5
177.01770	0.3
277.19272	0.4
277.21579	1.9
278.22025	2.3
279.22449	1.1
295.61374	0.4
313.71570	0.3
397.13745	1.3
398.14038	1.7
399.14050	2.2
400.14609	0.8
416.14957	0.7
417.15363	1.1
611.30634	0.4
620.57251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50508	0.1
55.28151	0.1
59.01239	2.0
60.01576	0.3
61.01668	0.1
61.24952	0.1
61.97226	0.8
61.98693	100.0
61.99947	2.0
65.17107	0.1
71.01237	1.3
72.01585	0.2
72.99195	0.1
73.02821	0.2
83.01250	0.3
85.02818	0.3
87.00751	0.3
89.02298	1.5
90.02631	0.2
91.02755	0.1
97.02794	0.2
98.17251	0.1
101.02322	1.0
102.02650	0.2
105.85011	0.1
113.02323	0.4
119.03403	0.3
125.02301	0.3
126.02694	0.2
142.04834	0.1
143.03323	0.1
171.99220	0.1
179.05586	0.2
215.00861	0.1
235.08195	0.2
236.08463	0.3
237.08757	0.2
246.37323	0.1
269.03622	0.1
277.21759	1.7
278.22064	2.0
279.22372	1.0
280.22623	0.2
362.77997	0.1
397.13638	1.3
398.13751	1.5
398.18491	0.1
399.14038	2.2
400.14218	0.8
415.14618	0.3
416.14883	0.5
417.15109	0.8
418.15344	0.3
491.79694	0.1
562.06720	0.1
764.84595	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	738.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30936	0.5
53.67529	0.6
59.01208	0.6
69.03326	1.6
72.99184	2.2
73.02795	0.6
73.84736	0.6
76.95596	0.7
78.95751	1.4
83.04880	1.1
96.95892	0.7
97.02816	1.0
99.04378	4.4
109.02759	0.6
115.03882	2.4
125.02325	1.0
127.03883	3.8
133.06494	0.9
145.02824	1.3
149.05983	1.0
149.09607	1.2
151.07565	4.0
151.11168	1.4
153.12732	1.1
159.04399	1.6
159.08034	0.9
163.11171	0.7
179.07101	1.1
181.12238	6.0
188.08391	1.5
199.14919	1.0
207.10187	1.4
209.11865	4.0
211.04033	1.0
215.14317	4.2
216.11501	0.9
217.15933	35.6
219.06279	0.7
219.13914	1.1
227.03506	6.8
227.14363	1.4
233.15503	1.3
234.12720	0.9
235.17014	2.1
236.67337	0.7
243.13962	1.9
245.15451	40.1
255.02969	11.4
256.03906	0.8
261.14880	1.1
263.16556	6.0
269.21390	1.1
284.03235	12.3
285.04056	2.8
289.14456	7.9
307.15509	2.0
312.25455	0.9
330.22552	1.2
330.26501	25.5
333.13474	27.5
351.14508	100.0
352.14844	2.3
379.13983	8.0
407.13528	40.8
408.13815	1.3
439.63284	0.8
593.15106	5.6
739.19031	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
65.43539	1.6
71.01214	6.4
72.99165	13.4
85.26731	1.8
96.95864	8.3
107.04914	2.4
107.75608	1.7
109.02739	1.8
111.04385	3.6
113.02276	3.8
121.02850	2.0
125.02311	4.8
125.09688	2.2
133.06487	3.0
134.03627	2.0
135.04366	5.2
138.03093	4.3
139.03894	2.1
148.05145	2.0
149.02344	3.6
149.05968	60.9
151.03831	2.5
151.07507	2.3
152.01003	2.2
159.04433	4.9
166.02585	5.2
167.03398	6.4
167.06990	2.0
175.03952	3.5
175.07497	6.0
177.01826	2.7
177.05482	64.1
178.05788	3.6
179.03389	2.2
187.03905	12.0
193.04922	8.5
195.06567	2.2
199.03845	3.4
203.07051	7.3
205.04974	2.1
215.03497	9.0
217.15988	2.3
219.94904	2.0
231.06630	4.6
233.15350	3.0
239.05576	6.7
243.02989	23.6
245.11847	3.8
261.15076	3.0
269.02658	17.1
277.14554	2.5
279.15915	2.4
287.01968	90.0
288.02277	4.1
289.14465	7.4
293.06693	2.9
305.14023	7.9
307.15408	4.4
313.01685	13.9
331.25012	22.4
351.14502	41.8
352.14908	3.9
427.07208	2.3
434.13159	2.2
482.25314	2.0
493.18066	2.2
517.05701	3.0
607.09216	5.2
647.15668	5.8
665.16827	5.0
721.15924	6.0
739.17102	100.0
740.17682	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	739.1868
Annotation	Halistanol Sulfate G
Peak:m/z	Relative Intensity
56.38055	0.5
59.96089	0.5
60.57820	0.5
61.98676	0.8
62.02652	0.5
62.73638	0.5
63.28523	0.5
65.00163	0.6
67.23558	1.1
67.23856	0.6
71.95192	0.5
76.70369	0.6
93.03302	1.1
107.01250	2.0
107.04884	0.9
108.24181	0.8
108.24781	0.6
117.03362	1.1
119.04915	1.3
132.02071	1.6
145.02846	6.2
151.00204	3.5
163.00354	1.3
163.03860	1.5
164.01112	1.0
167.04907	0.8
169.01337	1.2
178.99721	1.1
183.04410	0.9
187.03882	1.1
197.05818	0.7
211.03929	2.7
213.05556	0.7
219.67938	0.6
227.03462	41.4
228.04074	1.1
229.05055	2.8
239.03522	1.3
240.04132	0.8
255.02982	77.0
256.03683	6.2
257.04553	1.8
276.41431	0.7
283.02499	3.7
284.03278	100.0
285.04037	20.1
303.10522	0.6
305.17416	2.9
339.05289	0.8
403.20859	0.7
413.08841	1.9
432.15570	0.7
524.17908	0.7
575.13776	1.3
593.15179	34.2
594.15448	1.2
668.51807	0.7
739.19232	47.7
740.19598	2.0
756.77826	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1871
Annotation	Halistanol Sulfate G
Peak:m/z	Relative Intensity
63.28543	0.6
64.15410	0.5
65.00160	0.6
67.23559	0.7
107.01244	1.6
117.03312	1.6
119.04892	1.2
132.02071	0.9
143.04865	0.8
145.02829	5.2
151.00305	3.4
156.87103	0.6
163.00235	1.6
163.03915	1.1
168.54666	0.7
183.04482	0.9
187.03955	1.2
204.92635	0.7
211.03995	3.1
227.03453	38.5
228.04039	1.3
229.04990	2.6
239.03482	1.8
241.04974	1.0
255.02982	69.6
256.03680	6.9
257.04541	2.1
283.02594	3.8
284.03268	100.0
285.04028	23.5
413.08932	1.8
575.13959	1.5
593.15112	31.5
594.14935	1.2
739.19263	42.9
740.19678	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59164	0.5
62.40621	0.5
63.02235	0.7
63.28505	0.6
67.23556	1.2
67.23856	0.7
83.01231	0.8
93.03302	1.1
97.36890	0.7
99.21108	0.7
107.01221	2.1
117.03304	2.2
119.04888	2.0
132.02069	0.9
135.00769	0.8
143.04872	0.8
145.02841	9.3
151.00284	3.3
161.06081	0.8
163.00247	1.0
163.03877	1.9
169.06468	0.6
178.99777	0.8
183.04323	1.0
187.03954	1.0
194.03040	0.6
199.04028	0.7
211.03938	2.7
211.40814	0.7
213.05537	1.3
216.99039	0.6
227.03468	37.9
228.04124	1.0
229.05048	3.7
241.04953	1.4
255.02983	71.7
256.03711	6.2
257.04538	3.2
283.02493	3.9
284.03278	100.0
285.04044	24.9
309.04214	0.7
413.09183	1.2
455.15173	0.6
575.14105	1.9
593.15216	36.9
739.18872	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1883
Annotation	Kaempferol 3-[6'''-p-coumarylglucosyl-(1->2)-rhamnoside]
Peak:m/z	Relative Intensity
63.02253	0.8
63.28514	0.6
65.00164	0.5
67.23545	1.0
67.23837	0.6
67.28433	0.5
77.80901	0.5
79.06332	0.4
83.01252	0.8
92.11418	0.5
93.03297	0.8
100.88975	0.6
104.17370	0.5
105.39961	0.5
106.03692	0.5
107.01237	2.9
108.24146	0.7
108.24806	0.9
113.53795	0.5
117.03293	1.6
119.04852	1.7
132.02078	1.2
135.00697	0.6
145.02829	8.4
151.00256	4.0
152.01054	0.9
161.06042	0.7
163.00259	1.8
163.03874	1.4
164.01106	0.7
178.99782	1.2
183.04335	1.0
185.06000	0.8
187.03941	0.8
189.41914	0.5
191.16728	0.5
197.54309	0.6
199.03915	0.7
200.04657	0.5
203.07843	0.6
211.03944	2.4
213.05569	1.1
227.03448	39.2
228.03975	0.8
229.05081	2.8
239.03455	1.5
240.04282	0.6
255.02969	72.5
256.03656	7.6
257.04578	2.4
283.02490	4.0
284.03262	100.0
285.04004	26.9
286.04279	0.6
309.04190	0.6
316.40848	0.6
413.08810	2.2
575.14166	1.3
593.15137	39.5
594.15564	1.5
739.18848	51.2
740.19391	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	739.2095
Annotation	Kaempferol 3-isorhamninoside
Peak:m/z	Relative Intensity
53.97402	0.1
59.01229	0.3
59.36751	0.1
63.02249	0.6
63.28530	0.2
63.28810	0.2
65.00179	0.6
67.23529	0.4
67.23861	0.3
74.48663	0.1
83.01241	0.4
83.07462	0.1
88.28152	0.2
93.03320	0.3
94.66628	0.2
95.01260	0.2
107.01253	2.1
107.33176	0.2
108.24199	0.2
108.24868	0.2
120.02113	0.2
132.02029	0.9
135.00734	1.0
143.04887	0.2
151.00252	4.0
152.01031	0.5
159.04401	0.3
163.00247	1.3
164.01097	0.8
167.04851	0.3
169.01347	0.4
171.04375	0.2
173.06036	0.2
178.99771	1.8
183.04416	1.1
185.02336	0.4
185.06017	0.5
187.03912	0.6
189.05417	0.2
199.03940	0.7
200.04750	0.5
211.03944	2.2
212.04617	0.3
213.01894	0.2
213.05553	0.5
226.94542	0.4
227.03453	45.5
228.03831	1.4
229.05017	1.6
239.03462	1.0
240.03975	0.2
241.05124	0.4
247.28452	0.2
253.05029	0.3
254.92380	0.7
255.02974	79.5
256.03638	6.0
257.04565	1.9
267.02863	0.3
283.02444	1.7
283.91171	1.0
284.03262	100.0
285.04004	12.1
286.04556	0.2
309.04007	0.3
326.04456	0.3
327.05002	0.9
339.05197	0.3
376.71741	0.2
390.92850	0.2
473.10403	0.2
575.14362	1.1
593.15137	0.2
626.06274	0.2
716.01019	0.2
739.20978	53.5
740.21454	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	739.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64182	2.5
56.65234	2.7
57.46250	2.4
59.01246	30.5
61.98689	4.7
67.80083	3.1
71.01240	24.5
71.72797	2.7
73.02818	6.8
78.51553	2.8
85.02820	4.8
87.00732	6.5
87.10584	2.6
89.02303	30.7
92.03919	3.5
94.00494	3.1
97.02849	5.2
99.64573	3.0
101.02299	14.7
109.02812	4.1
111.61440	3.4
113.02302	7.8
119.03387	9.0
125.02320	10.4
126.87636	2.9
139.45010	3.2
141.57077	4.1
157.58551	3.2
235.08205	8.9
281.24875	95.2
305.08905	4.4
397.13538	100.0
411.21301	3.6
415.14597	30.7
483.28647	4.1
487.77719	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	739.413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.1
59.01242	36.2
61.98721	1.0
65.28331	1.0
69.03290	1.6
71.01236	24.0
72.99180	1.1
73.02805	4.0
81.03320	1.5
82.93169	1.0
83.01245	3.2
85.02811	5.8
87.00728	3.4
89.02293	28.0
92.71483	1.3
97.02789	5.9
99.00713	1.2
99.03781	1.1
101.02309	23.2
103.03957	1.4
113.02291	11.0
119.03352	7.3
125.02314	9.4
125.05674	1.2
130.60709	1.3
131.03365	1.5
143.03401	4.6
161.04468	4.0
179.05502	5.6
185.04297	1.2
221.06757	1.3
235.08189	10.4
253.09212	2.1
267.96930	1.1
281.24857	95.8
282.25446	1.3
287.07797	3.2
305.08826	3.9
397.13516	100.0
398.13779	2.5
415.14645	31.8
679.39191	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	739.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46463	0.5
57.24400	1.0
59.00976	1.1
59.01242	14.7
62.00806	0.5
71.01226	2.1
73.63197	0.5
78.95760	3.9
89.02293	1.2
101.02275	1.3
126.00925	0.8
135.81172	0.7
145.02832	0.9
152.99477	2.4
155.32381	0.8
161.04417	1.0
164.14368	0.6
183.10242	1.3
183.13797	5.4
193.12254	1.7
211.05424	1.3
211.13338	100.0
212.13652	0.9
221.74881	0.7
227.03458	0.9
235.08295	1.5
241.47104	0.7
249.18588	44.5
250.18855	1.4
253.09293	6.5
277.21658	1.6
293.21143	0.8
331.98215	1.0
429.20975	2.6
447.22379	8.8
481.71902	0.7
559.23932	0.7
667.46387	1.1
724.48212	0.7
739.41888	3.3
761.71741	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22117	0.6
55.72274	0.7
59.01241	14.5
59.14105	0.7
62.63788	0.8
66.44807	0.8
66.74957	0.9
71.01235	1.8
72.75829	0.7
73.02792	0.8
73.85701	0.8
78.95749	4.6
89.02317	2.0
92.89890	0.8
101.02302	2.0
139.11182	1.5
141.18309	0.9
145.02872	2.2
146.38641	0.9
152.99437	2.8
155.10696	3.5
161.04408	1.1
165.62581	0.8
183.10187	66.1
235.08163	5.8
253.09305	8.1
277.21732	100.0
278.22107	2.0
284.03281	1.4
323.12283	1.0
371.57999	1.1
419.19476	2.3
426.08908	1.0
431.28912	0.9
606.33502	0.9
667.45880	1.6
679.41321	1.3
703.48065	1.1
739.41858	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	739.493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10954	0.9
61.00024	0.9
63.07376	0.9
67.26088	1.0
72.74864	1.0
73.68724	1.0
92.02549	1.2
106.04106	2.8
107.04893	2.2
119.04898	15.3
121.02830	8.1
133.06467	5.4
149.22742	1.3
152.06662	1.1
161.09656	1.6
175.11165	1.7
189.12805	1.5
301.25372	100.0
302.25644	1.7
306.36557	1.3
327.26947	82.6
345.20096	2.5
345.24399	68.1
371.25940	70.2
526.57568	1.3
579.96790	1.4
622.15637	1.3
739.49329	44.2
740.49762	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	740.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70319	0.2
59.01238	2.2
61.76097	0.2
61.97430	1.9
61.98693	100.0
62.00136	1.0
62.30177	0.2
66.87047	0.4
69.82958	0.3
71.01247	1.2
74.44213	0.3
88.34281	0.3
89.02299	1.7
96.95883	0.3
101.02307	1.5
113.02325	0.6
115.83524	0.3
119.03381	0.5
125.02362	0.3
145.02847	0.8
151.00258	0.4
227.03490	4.3
228.03763	2.0
235.08298	0.3
236.08643	0.4
255.02956	7.0
256.03369	4.7
257.04111	1.0
279.23251	2.6
280.23712	2.6
281.24020	1.5
282.24323	0.4
284.03247	10.3
285.03726	8.2
286.04294	1.5
375.46893	0.3
397.13657	1.4
398.13840	1.8
399.14130	2.8
400.14594	1.0
415.14783	0.3
416.14981	0.6
417.15430	1.0
512.01825	0.3
593.15631	1.3
594.15601	4.0
595.15704	0.4
740.19824	7.1
741.20251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01069	0.3
55.45562	0.7
57.38031	0.1
59.01243	5.0
59.25616	0.2
63.96894	0.2
64.65372	0.2
69.35601	0.2
71.01236	1.8
73.02802	0.5
81.56944	0.2
83.01241	0.3
85.02792	1.2
95.01231	0.3
97.15298	0.3
99.00719	0.3
101.02303	1.1
108.02016	0.6
109.02813	0.2
113.02310	1.2
121.02789	1.9
122.03602	2.7
123.00681	0.3
124.01504	0.2
134.03664	0.4
135.97223	0.5
136.01535	43.0
137.02365	1.7
149.05939	0.4
150.98720	0.9
151.03893	90.4
152.04242	0.7
159.02884	0.3
159.04337	0.3
160.05179	1.0
161.02426	0.3
161.04443	3.5
161.05769	0.2
162.03088	0.6
163.03900	0.6
173.06009	0.3
175.03931	0.2
175.07529	1.6
176.04686	0.3
177.05492	0.8
178.99817	0.3
179.03444	0.5
187.03934	0.3
189.05452	0.4
189.08392	0.2
190.06203	0.2
193.05025	0.2
206.05879	0.2
243.02974	0.9
255.02960	2.2
256.07413	0.2
270.70660	0.2
271.02487	4.6
271.05200	0.3
272.03098	0.4
296.10760	0.3
299.02042	0.3
300.02756	8.7
301.03217	0.7
308.81784	0.3
311.12927	0.9
342.11111	5.6
357.13452	100.0
358.13809	2.2
400.05826	0.2
519.18719	9.7
543.38055	0.3
591.06995	0.2
628.17352	0.2
681.23181	0.2
741.18945	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29036	0.3
57.03300	0.5
58.53445	0.3
59.01250	0.6
63.02254	1.3
65.00188	7.3
67.23483	0.4
71.01235	0.4
71.58906	0.5
73.02813	0.4
83.01255	2.8
93.03307	0.6
95.01264	0.4
95.02065	0.4
97.57304	0.4
100.55486	0.4
101.02338	0.5
102.80976	0.4
104.76796	0.9
104.77468	0.8
107.00571	0.8
107.01248	10.0
109.02830	0.5
111.00717	0.5
117.03327	7.0
119.04883	3.1
124.01530	2.8
125.02322	3.4
130.04134	0.5
132.30481	0.5
133.02838	0.7
134.03592	0.7
135.04413	2.2
139.00267	0.6
145.02835	18.6
149.02333	0.6
151.00261	31.5
152.01065	7.7
159.04471	0.8
161.05966	1.0
163.03917	3.8
163.15308	0.4
167.04907	0.6
169.01344	1.1
169.06453	1.1
173.05995	1.0
177.05502	0.7
178.99791	6.1
180.00531	0.5
180.05730	0.6
181.06523	1.4
182.03735	0.7
183.04381	1.0
196.05267	0.6
197.06052	2.6
199.03999	0.9
200.04599	0.5
201.05423	0.9
203.03372	0.8
205.04939	0.5
223.38223	0.4
224.04680	0.6
225.05495	5.2
227.03439	1.2
242.05832	1.5
243.06610	2.9
256.03503	0.5
259.06137	2.2
265.07135	0.8
268.03397	0.5
269.04568	100.0
270.04953	3.3
284.03275	0.8
285.03876	0.5
286.04443	0.7
287.05527	0.8
367.10397	1.7
589.19312	1.5
595.16815	5.0
741.20416	34.8
742.20575	3.2
756.70831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39232	0.3
55.07891	0.4
58.00449	0.3
59.01242	9.4
61.98679	0.4
66.99142	0.3
68.99670	0.4
71.01232	0.6
72.99165	0.4
91.01750	2.5
93.03313	9.8
95.04869	0.9
96.57934	0.3
99.00697	0.4
104.96681	0.3
105.03333	0.6
107.04888	4.6
108.02032	1.2
109.02811	4.0
117.03355	0.7
119.01221	0.4
120.02054	0.4
121.02822	19.4
123.04386	9.1
124.01492	0.4
132.61877	0.4
133.02837	4.3
134.03613	1.2
135.04411	2.6
136.01463	0.6
138.47835	0.4
139.00301	0.5
145.02844	1.6
149.02327	12.5
150.03128	6.1
151.03900	10.7
152.01106	0.4
155.04539	0.5
161.02341	3.3
162.03128	2.2
163.03940	2.5
165.01842	4.7
177.01854	4.4
178.02538	0.7
178.97482	1.0
179.03410	100.0
179.10056	0.8
180.03802	1.2
182.02168	0.8
191.03407	4.1
195.02969	0.5
209.04504	18.7
219.02975	0.4
263.07101	0.5
291.06726	1.0
303.40262	0.5
306.08926	1.2
308.10492	0.6
320.71921	0.4
321.11310	3.0
323.12988	0.6
330.45609	0.4
503.68079	0.4
531.16656	19.1
532.17450	0.7
533.17725	0.5
569.36194	0.4
595.15240	0.4
649.35016	0.4
741.21948	12.5
742.22095	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01067	0.3
55.25790	0.2
55.45563	1.0
59.00969	0.4
59.01242	4.7
59.25598	0.3
64.74548	0.2
66.50819	0.2
71.01241	1.9
73.02810	0.6
82.33459	0.4
83.01237	0.3
84.02017	0.3
85.02796	1.4
95.01194	0.3
97.15273	0.3
97.46046	0.2
97.50645	0.2
101.02289	1.4
108.02000	0.6
113.02299	0.9
115.24031	0.2
120.84829	0.2
121.02794	1.9
122.03600	2.0
123.00751	0.3
123.04346	0.4
134.03636	0.7
136.01535	41.2
137.02431	1.2
143.03432	0.3
149.05936	0.4
149.62181	0.3
150.99059	1.1
151.03893	86.5
151.09286	0.8
152.04236	1.3
159.02838	0.4
159.04362	0.4
160.05215	1.0
161.02394	0.3
161.04446	4.1
162.03099	0.6
163.03938	0.7
164.04666	0.3
167.01610	0.3
175.03925	0.4
175.07553	1.6
176.04694	0.3
177.05478	0.7
179.03436	0.5
189.11642	0.3
206.06030	0.3
255.02977	0.4
256.07553	0.3
266.29037	0.3
271.02502	0.7
300.02734	1.1
311.12900	0.8
327.08688	0.3
342.11069	4.9
357.13449	100.0
358.13782	3.2
519.18719	10.1
519.26642	0.3
520.19476	0.4
522.62103	0.3
529.15009	0.3
741.19507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.0
59.68562	0.2
66.22762	0.3
73.18511	0.3
81.00217	0.4
83.04890	0.6
86.47481	0.2
96.95863	0.8
114.41028	0.2
116.20489	0.3
118.52321	0.3
121.06454	0.5
125.02327	0.8
125.71701	0.3
170.04289	0.3
177.01863	0.6
181.27748	0.3
189.92526	0.3
200.03760	0.3
211.14824	0.5
217.12195	0.4
218.54044	0.3
225.60030	0.3
227.17845	0.4
237.16498	0.6
251.18083	0.4
253.16037	0.9
253.19547	1.0
267.17590	1.0
269.19083	6.6
271.20663	4.3
285.18579	0.6
297.18600	4.9
315.19693	20.1
316.20074	0.4
333.03418	0.8
333.20734	100.0
334.21057	2.3
351.14481	0.5
391.32346	0.3
447.47858	0.3
546.42181	0.3
729.88843	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82358	1.8
59.01221	10.8
59.27272	1.9
69.75128	2.2
83.18620	2.4
88.98631	5.3
91.01721	4.0
93.03342	16.6
95.91031	2.3
96.95896	4.6
107.04852	3.3
108.02020	3.5
109.02796	10.8
116.19925	2.6
121.02833	27.9
123.04389	16.0
125.02336	5.9
133.02802	7.6
135.04398	6.2
136.01559	4.1
137.02318	6.5
145.02808	2.9
146.03592	5.3
147.04382	2.4
147.11375	2.6
149.02359	14.9
150.03096	8.3
151.03883	18.6
161.02327	7.0
161.06026	2.3
162.03087	7.1
163.03918	3.6
164.04677	5.3
165.01874	5.8
167.03394	3.7
177.01828	13.6
177.05431	4.0
179.01889	4.7
179.03409	71.5
179.07014	4.3
187.03876	2.3
191.03358	5.9
192.04201	2.5
217.58495	2.3
235.43927	2.8
265.05011	3.2
282.05310	7.3
285.14609	2.8
291.06699	2.8
293.04556	5.1
294.05249	2.7
297.07608	8.7
298.08130	2.6
305.06534	6.9
308.06866	16.4
309.07782	2.6
310.08319	3.0
311.09180	4.0
312.09912	6.9
323.09253	25.8
353.10345	9.0
360.79501	2.6
371.11368	3.5
399.08459	3.0
429.13364	6.8
430.13690	3.1
444.15738	6.5
503.17075	14.7
533.18365	100.0
534.18384	5.3
557.18597	3.8
581.16626	3.7
683.24396	5.1
743.23523	81.3
744.24481	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	743.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25924	1.7
55.61998	2.0
55.86913	1.9
59.01244	12.6
65.66874	2.1
70.44182	2.2
71.11653	2.0
80.13395	2.7
87.36478	2.0
88.98661	4.4
89.24035	2.2
89.63629	2.1
91.01759	3.1
91.79356	2.4
93.03308	15.3
96.08620	2.3
96.95885	3.5
107.04870	4.3
108.01994	4.8
109.02818	8.6
121.02816	21.6
123.04380	11.9
123.66019	2.2
125.02304	4.1
133.02765	7.2
134.03625	2.8
135.04398	5.3
136.01491	6.8
136.51651	2.7
137.02322	3.9
138.03055	2.7
146.03546	3.9
147.04359	2.4
149.02301	15.7
150.03079	6.1
151.03932	15.8
153.01900	2.2
161.02356	5.6
162.03149	6.5
163.03842	2.7
164.04681	3.5
165.01767	7.3
167.03374	3.7
177.01845	10.2
177.05431	2.7
179.03409	68.5
179.06964	5.1
181.05025	2.5
191.03493	5.7
193.05003	3.9
265.05042	6.9
269.08212	3.6
279.06784	3.5
280.07385	3.8
282.05286	5.8
293.04587	4.3
297.07596	11.6
305.06897	4.0
308.06964	11.3
312.09979	9.5
314.97836	2.5
323.09302	21.9
353.10132	6.7
371.11325	4.4
429.13300	8.2
430.14151	4.2
444.15948	5.0
503.16916	9.3
533.18341	100.0
534.18274	4.6
683.25397	3.1
743.23486	80.6
744.23621	3.8
752.17468	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	743.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21809	1.1
59.01242	69.5
71.01234	1.3
90.43593	1.4
93.03332	1.4
96.95860	4.2
109.02843	1.2
121.02821	29.7
125.02289	2.2
146.03622	3.0
147.04422	6.7
149.02325	1.4
151.03911	1.4
159.04416	1.4
160.05205	2.7
161.05997	1.4
162.03064	1.5
163.03882	1.6
175.03944	1.5
177.01775	1.3
179.03415	2.1
180.04282	1.4
197.25862	1.2
201.05536	1.4
214.06686	1.1
228.04282	5.5
229.04962	2.6
230.05809	1.5
241.05118	2.0
243.06740	2.8
244.03926	1.2
245.08304	1.5
252.04355	2.1
255.06602	1.6
257.04691	1.4
258.05350	4.7
258.08902	1.6
265.05240	1.8
266.05743	1.5
267.06595	2.2
271.09756	1.8
272.06851	1.4
273.07715	5.4
279.06705	1.7
280.07303	1.7
281.08206	1.8
284.07080	2.3
286.61188	1.3
291.06805	1.2
295.09616	1.4
297.07553	1.8
298.08554	1.9
299.09274	6.1
299.12369	1.3
311.09293	2.3
373.10767	1.7
388.13120	1.6
399.18582	1.9
418.10690	1.6
420.12033	1.7
431.14813	2.8
433.13000	7.0
434.13605	1.7
435.14465	4.3
447.14432	3.0
448.15283	29.2
449.16098	2.0
457.12973	2.6
461.16064	4.7
463.18201	1.4
472.15253	4.9
475.13950	2.1
480.14575	2.1
487.17734	35.6
506.15674	3.9
517.18762	3.9
521.18182	100.0
522.18463	3.0
533.18292	3.3
613.67908	1.2
675.20001	1.5
683.25269	2.6
743.27142	76.0
744.27948	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	743.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36127	1.2
56.18521	0.6
57.03303	0.7
58.91761	0.7
59.01244	1.0
73.01377	0.7
73.02744	0.7
78.93899	1.2
78.95759	61.1
93.03314	3.3
96.96810	4.9
107.04156	1.2
107.04878	17.7
113.82310	0.7
119.04888	4.4
121.02834	3.9
127.82803	0.7
140.73466	0.7
145.02834	1.8
147.08041	0.8
150.97914	1.3
152.94406	1.3
152.99471	100.0
153.99777	1.0
159.99557	0.7
161.06036	1.4
169.15923	1.2
171.00566	2.3
205.14577	0.9
253.61497	0.8
255.23320	2.5
271.20697	3.9
277.21927	1.2
289.21695	14.1
293.21283	1.7
295.22748	2.6
297.15073	1.0
299.23618	0.9
301.76355	0.8
313.25330	3.2
314.72244	1.0
315.23303	1.6
325.25455	2.8
333.20731	58.8
334.21164	2.1
343.26367	1.4
359.22357	2.7
361.23862	4.8
364.46854	0.9
387.25409	10.2
396.19107	0.8
409.23611	55.0
410.23880	1.7
415.24893	1.4
465.22415	1.2
743.44873	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04125	0.2
59.01244	0.5
61.97427	1.8
61.98692	100.0
62.00113	1.3
78.55199	0.2
79.50591	0.2
85.02796	0.3
97.98267	0.2
103.72449	0.2
136.01535	2.4
137.01892	0.8
138.02057	0.3
151.03903	4.3
152.04240	1.7
153.04443	0.7
161.04474	0.3
165.07088	0.3
172.16318	0.2
259.86481	0.3
291.97385	0.3
296.55637	0.3
352.51337	0.3
357.13577	2.0
358.13797	2.9
359.14020	2.5
360.14307	1.1
389.36154	0.2
396.97073	0.3
507.06808	0.3
571.31140	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29218	0.2
88.81132	0.2
93.03281	0.2
100.57492	0.2
103.91872	0.7
106.04092	0.3
107.04886	6.1
117.03321	0.8
119.04892	8.5
121.02820	0.6
121.06464	0.4
131.04878	0.8
133.06497	1.5
139.58002	0.2
143.04887	0.3
145.06442	1.0
147.08032	0.6
159.07997	0.5
161.09630	0.8
173.09647	0.5
175.11191	0.7
190.97900	1.0
194.97472	1.4
201.12817	0.5
203.14308	0.3
206.97420	1.1
208.98940	0.2
213.99242	0.9
218.97449	3.4
220.99049	0.6
227.14249	0.3
229.15981	0.3
232.99004	0.6
234.96953	0.9
235.00578	0.8
235.97559	0.2
241.15829	0.3
249.02089	0.5
252.99762	0.3
261.02158	0.6
268.01892	0.7
269.02707	0.4
275.03659	0.9
281.02713	4.5
283.04245	0.4
286.03058	1.0
287.03687	0.7
293.02734	1.9
295.04300	1.3
297.22250	0.3
297.99344	0.2
298.02728	0.2
299.00171	0.7
299.03714	3.8
299.23792	4.7
300.00955	0.3
301.25403	2.4
307.04282	1.6
308.01508	0.3
309.05692	0.6
311.03915	0.9
312.00961	4.4
313.01636	0.5
313.05334	1.1
319.04358	0.2
321.02420	0.3
321.05850	2.2
323.07611	0.4
324.97812	0.4
325.01718	7.8
325.05179	0.6
326.02197	0.5
333.05737	0.4
335.07495	0.7
337.08975	0.9
339.03275	3.3
341.08295	0.3
343.99881	4.2
345.00140	0.3
351.03082	0.2
351.10382	0.3
353.04721	1.1
353.15619	0.2
355.10162	0.3
358.01434	0.5
365.12241	0.6
367.06396	1.9
368.06924	0.3
369.11487	0.3
373.18256	0.5
377.11957	0.3
381.07962	2.1
382.08832	0.4
383.13074	0.4
389.11942	0.3
391.13705	0.9
391.19113	0.2
395.09491	0.8
403.13733	0.3
405.15195	0.8
409.11029	0.9
409.15472	0.4
417.17188	0.7
419.16910	0.7
423.16483	1.1
433.18088	0.4
435.12778	2.2
437.17896	0.8
449.14172	3.0
451.19266	0.7
463.15836	2.9
473.21423	0.5
475.23080	5.8
477.17422	2.0
478.18149	0.2
489.24860	1.3
491.18854	0.6
493.24133	8.2
494.22708	0.3
501.24576	0.4
503.25995	1.0
505.20084	0.2
506.21213	0.8
507.25995	2.0
515.25854	0.3
517.27771	0.7
519.22028	7.9
520.22552	0.3
521.27051	1.3
529.27673	0.4
531.29254	0.9
533.23596	2.2
535.28699	1.5
547.25366	1.5
549.30463	1.2
559.31757	0.3
561.27100	1.5
563.20721	1.0
575.28009	1.4
577.33282	0.3
585.33978	0.5
599.36316	0.3
603.33301	0.7
629.33087	0.7
657.36389	0.3
744.40668	100.0
745.40955	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	745.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23983	0.6
57.03302	3.2
57.03550	0.6
65.03842	0.7
66.94341	0.6
69.03319	0.6
70.44611	0.7
81.03304	4.9
83.01243	11.1
86.07259	0.7
91.72716	1.0
93.03320	3.0
95.01237	1.4
95.04890	1.5
97.02823	2.4
105.03327	1.0
107.04890	1.8
108.02029	4.4
109.02818	10.2
111.04381	5.7
119.61339	0.7
121.02827	6.2
123.00748	3.8
123.04407	2.7
124.01547	4.6
125.02315	100.0
126.02665	0.8
133.02809	1.7
135.04393	4.8
137.02319	30.0
138.03091	2.0
139.03882	12.5
139.23889	0.7
145.02870	0.8
149.02330	9.1
149.06006	1.6
150.03040	0.9
151.03865	5.9
159.04413	1.9
159.89725	0.8
160.05229	0.9
161.02367	4.9
162.03078	1.6
163.00264	1.3
163.03920	3.2
164.01093	5.7
165.01843	12.9
167.03397	14.8
171.04396	0.8
175.03941	7.3
176.01054	2.3
176.95288	1.1
177.01849	70.4
177.05359	8.4
178.02589	1.3
178.06288	2.8
179.03418	10.5
187.03957	4.4
189.01917	2.2
189.05371	0.8
191.03456	2.0
191.07050	1.7
193.04962	1.0
193.08670	3.5
199.03931	1.6
201.05426	1.9
203.03473	4.5
204.04214	2.7
205.01387	1.6
211.04037	1.0
213.05562	1.0
215.03488	3.2
217.01443	1.0
217.05006	3.0
219.06573	9.9
221.04485	5.6
225.05672	1.0
227.03455	2.1
228.04224	2.0
229.05063	2.9
231.03023	0.9
239.03586	0.8
243.02995	4.5
243.06599	1.5
245.04562	1.4
246.05362	3.9
255.02968	10.3
256.03784	2.5
257.04562	2.6
261.07690	57.0
262.08069	1.1
267.03021	3.8
268.03827	1.9
269.04575	3.2
270.05286	0.9
271.06100	1.0
273.07648	1.5
281.04739	0.8
283.02393	5.4
285.04123	2.6
287.05841	0.8
295.02530	2.2
296.03171	0.9
297.04022	5.7
299.05719	1.0
301.07227	1.1
305.06686	74.2
306.07031	1.4
311.09143	1.1
313.07211	1.6
315.05051	1.9
323.09369	1.6
326.33167	0.8
329.14215	1.5
330.14209	1.7
341.10010	1.1
355.08148	2.0
376.05795	0.8
379.08414	2.3
391.08441	3.3
397.09415	2.9
402.83374	0.9
409.09415	5.7
419.07968	2.1
421.09326	1.4
423.07300	15.5
428.78033	1.0
433.09155	1.1
435.07358	4.4
439.10419	9.9
483.09393	5.5
517.18353	0.9
533.14709	1.4
559.12506	52.8
560.12573	1.7
577.13672	16.6
745.17810	8.5
756.38623	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11010	0.4
57.03324	3.4
57.63099	0.6
60.35372	0.4
67.01728	0.4
69.03300	0.9
81.03310	2.7
83.01241	12.4
93.03305	3.8
95.01245	1.5
95.04878	1.3
97.02804	2.0
99.76092	0.5
103.62744	0.5
105.03344	0.5
107.04886	1.2
108.02023	3.6
109.02805	12.0
111.04382	4.9
119.04902	0.6
121.02820	7.4
121.82848	0.5
123.00777	2.7
123.04394	2.1
124.01532	5.1
124.98694	1.6
125.02312	100.0
126.02660	1.5
131.04944	0.6
133.02789	1.7
134.03566	0.6
135.04379	4.2
137.02319	30.9
138.03047	2.2
139.03883	13.0
147.04352	1.1
149.02328	8.2
149.06021	1.0
151.03886	4.7
155.03282	0.5
159.04387	1.7
161.02341	2.8
162.03130	1.3
163.00249	1.3
163.03908	2.8
164.01060	5.1
165.01834	13.3
166.02583	0.8
167.03409	13.7
173.05943	1.3
175.03911	6.5
176.01028	2.0
176.04669	0.9
177.01843	74.2
177.05351	7.0
178.02655	2.6
178.06238	2.5
179.03407	11.6
187.03922	4.3
189.01825	2.5
189.05502	1.3
191.03398	2.9
191.07031	1.9
193.04964	0.7
193.08649	2.8
199.03835	1.2
201.05437	1.5
203.03435	3.3
204.04193	1.9
205.01428	1.9
205.05095	0.6
211.03923	1.1
213.05528	0.6
214.02660	0.6
215.03439	2.7
217.01401	1.2
217.04962	3.0
219.03148	1.0
219.06564	9.8
221.04510	5.2
225.05492	0.6
227.03491	1.3
228.04233	1.1
229.05032	2.3
231.03020	0.7
231.06592	1.0
233.08041	0.6
235.06013	0.8
237.07581	0.7
239.03395	0.9
240.04251	0.9
241.05116	1.0
242.05865	0.5
243.02956	3.7
243.06619	1.2
245.04575	0.6
246.05396	2.9
253.05138	0.6
255.02979	7.7
256.03662	3.3
257.04529	2.7
261.04364	1.7
261.07678	54.0
262.07944	1.5
263.05383	0.9
267.02997	3.3
268.03769	1.0
269.04575	3.2
270.05106	0.7
271.06143	0.9
273.04123	0.5
273.07770	0.7
283.02490	4.7
284.03268	0.8
285.04031	1.6
287.05917	0.8
295.02518	1.7
297.04123	5.2
298.04572	0.7
299.05734	0.7
301.07059	1.0
303.05029	0.6
305.06677	66.4
306.06921	1.5
309.04059	0.7
311.09293	1.4
313.07040	1.3
315.05139	2.4
323.09308	0.9
355.08041	2.4
365.10477	0.6
378.07184	0.8
379.08292	1.1
391.08313	3.4
397.09296	2.4
404.05090	0.7
409.09167	6.1
419.07864	2.3
421.09369	1.4
423.07251	11.4
433.08954	0.7
435.07053	3.7
439.10342	8.7
465.08270	0.7
483.09387	6.4
501.40759	0.6
533.14325	1.1
559.12482	45.4
560.12811	2.8
571.96710	0.6
577.13599	13.6
578.13751	1.0
727.16119	0.7
730.26654	0.6
745.17706	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	745.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25415	1.0
54.59225	1.1
56.57823	1.1
57.03310	4.6
57.22114	1.1
58.17706	1.2
70.90421	1.3
81.03323	3.7
83.01225	7.4
87.58678	1.2
88.75275	1.2
93.03317	5.4
95.01253	2.4
95.04919	1.5
96.95869	1.5
97.02813	2.9
108.02052	3.5
109.02816	10.2
111.04372	3.1
119.47769	1.4
121.02843	7.1
123.00733	4.9
123.04350	2.5
124.01541	4.7
125.02313	100.0
133.02794	2.5
135.04410	4.1
137.02325	31.7
138.03082	3.8
139.03903	14.9
147.04364	1.4
149.02333	10.6
151.03937	5.4
159.04442	2.4
161.02373	4.3
163.00320	2.5
163.03908	3.3
164.01050	6.1
165.01851	11.4
166.02641	1.5
167.03407	17.8
173.05977	1.8
175.03938	6.0
177.01846	81.5
177.05457	7.3
178.02481	1.7
179.03419	11.8
186.62279	1.5
187.03949	4.1
189.01938	2.5
191.03384	2.4
191.06950	1.4
193.08597	2.5
199.03848	1.7
201.05531	2.6
203.03470	3.1
204.04205	2.2
205.01378	4.1
207.02907	3.6
215.03442	2.0
215.66588	1.6
217.04994	2.3
219.03032	1.8
219.06520	9.9
221.04515	5.0
225.05499	2.5
227.03615	1.9
229.05110	3.9
241.05106	1.8
241.32405	1.3
243.02931	4.3
255.03023	8.9
256.03702	3.6
257.04587	3.8
259.06323	1.6
261.04446	2.7
261.07700	33.5
261.10446	2.7
266.39920	1.4
269.04565	4.9
273.04071	4.8
273.07703	3.3
283.02502	5.3
285.04050	3.2
295.02460	2.0
297.04077	6.2
301.07190	2.1
303.05072	2.5
305.06677	69.5
306.07153	2.1
313.07104	2.8
317.06631	1.7
323.09079	2.7
347.07700	5.7
359.59113	1.6
391.08154	2.4
397.09433	7.3
409.09149	4.3
419.07599	2.4
423.07449	12.9
435.07141	3.2
439.10266	8.3
441.12061	10.3
483.09042	7.5
488.03885	1.8
515.68463	1.7
559.12518	54.2
560.12927	1.9
577.13507	16.9
745.17432	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	745.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03074	0.6
57.03319	7.5
57.63130	0.8
69.03300	0.6
72.49001	0.7
76.41396	0.4
81.03330	1.8
83.01253	2.7
89.03825	0.6
93.03324	4.9
95.01245	1.1
95.04869	1.2
97.02815	1.9
105.03348	1.6
107.04881	1.1
108.02041	4.5
109.02109	0.9
109.02818	12.7
111.04367	4.4
121.02828	6.8
123.00750	3.3
123.04395	4.0
124.01542	3.2
124.02341	0.5
125.02316	99.5
125.05832	1.4
126.02607	0.7
127.11795	0.5
133.02815	1.5
135.04408	2.1
136.01514	0.9
137.02328	26.9
138.03094	2.5
139.03888	13.4
147.04413	1.1
149.02330	12.9
149.05954	1.7
151.03923	3.9
155.03432	0.6
159.04414	1.5
161.02357	2.0
161.06032	0.6
162.03003	0.5
163.00299	1.2
163.03920	2.0
164.01054	3.4
165.01843	11.9
166.02632	1.1
167.03413	15.1
170.02089	0.6
173.02339	0.6
173.05954	0.7
175.03915	5.2
176.01033	1.9
176.04544	0.6
177.01851	100.0
178.02344	1.2
179.03413	10.9
185.43030	0.6
187.03984	1.5
189.01878	1.4
189.05502	1.6
190.02621	1.2
191.03455	3.8
191.07063	1.1
193.04958	1.3
199.03960	0.9
200.04790	0.8
201.01836	0.5
201.05478	2.1
202.29836	0.5
203.03447	2.5
204.04185	2.1
205.01306	0.8
205.04956	0.6
211.03954	1.2
212.04723	0.8
213.05501	1.8
214.02562	0.8
215.03503	2.1
217.01459	0.6
217.05020	2.0
218.05750	0.9
219.02930	1.4
219.06586	8.2
221.04517	5.9
225.05632	1.7
227.03455	2.0
228.04140	0.8
228.84312	0.6
229.05035	3.9
230.05717	0.9
231.03058	0.5
231.06573	6.9
240.04256	0.5
241.05098	1.7
242.05705	0.6
243.02982	3.2
243.06659	1.7
245.04597	0.6
253.04962	0.6
255.02992	9.0
255.05931	0.8
255.06450	0.6
256.03708	4.7
257.04584	7.2
257.07220	0.8
257.08069	0.5
258.05283	1.1
259.06152	0.8
261.03998	3.8
261.07657	5.1
267.02991	2.0
268.03726	2.9
269.04605	7.5
270.05222	1.4
271.06207	0.6
273.07693	8.6
280.03894	0.6
281.04514	1.5
283.02472	4.7
285.04120	2.4
295.02451	1.8
295.05518	0.5
296.03317	0.6
297.04089	6.6
298.04630	0.8
299.05588	1.3
299.09024	0.5
301.07056	2.5
303.05066	6.7
305.06689	42.1
309.04028	1.1
311.09265	0.6
313.07074	0.8
314.07971	0.7
315.08893	0.8
317.06824	5.3
323.09341	1.4
331.06116	0.6
341.06729	1.2
355.08160	2.1
365.10391	0.9
375.05093	2.1
376.05960	1.3
377.06598	1.2
379.08215	2.1
391.08255	6.2
392.09079	1.2
397.09045	1.0
404.05530	0.8
405.06055	1.6
409.09381	3.0
419.07837	3.4
421.09314	0.8
423.01715	1.0
423.07193	14.7
433.09393	1.2
435.07208	3.0
441.11948	31.0
442.12039	0.7
449.92007	0.8
451.10504	2.9
481.11688	0.8
533.14618	1.1
559.12488	75.2
560.12482	2.4
577.13647	10.2
601.13043	0.6
619.14551	4.4
701.18433	0.6
727.16998	1.3
745.17657	8.5
746.17993	0.8
751.38666	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87834	1.2
57.03316	3.6
81.03332	4.1
83.01260	6.7
85.93937	1.3
93.03336	3.2
95.01191	1.7
95.04875	2.0
97.02847	1.4
102.18604	1.4
107.04916	1.9
108.02046	2.8
109.02834	12.5
111.04408	5.4
121.02855	7.4
123.00742	3.7
123.04427	1.9
124.01536	3.7
125.02318	100.0
133.02818	2.0
135.04402	4.2
137.02322	31.7
138.03087	2.2
139.03908	10.9
149.02313	9.5
151.03886	6.9
159.04372	1.7
161.02371	3.8
163.00305	1.6
163.03897	3.4
164.01085	3.2
165.01813	16.4
166.02548	2.1
167.03391	16.6
173.05986	2.3
175.03944	5.1
177.01857	77.2
177.05496	6.7
177.07567	1.5
178.06227	2.6
179.03459	14.1
187.03973	3.0
189.01842	2.1
189.05481	1.9
191.03481	3.6
191.07101	2.3
193.08656	3.1
203.03430	3.8
204.04288	2.8
205.01436	2.9
207.02910	3.2
211.04074	1.9
213.05730	1.8
215.03426	3.3
217.05013	3.8
219.06577	11.7
221.04581	7.1
227.03528	2.5
231.03156	1.9
231.06628	3.4
241.05151	2.3
243.02969	3.2
243.06621	1.9
246.05325	2.3
255.03018	8.5
256.03836	3.9
257.04617	5.9
261.04230	3.7
261.07718	28.8
267.02969	1.9
268.03824	1.8
269.04663	4.3
271.06113	1.9
273.04156	2.9
273.07779	4.9
283.02612	5.5
285.04050	3.3
297.04041	4.6
299.05518	2.5
303.05167	2.9
305.06693	65.7
317.06577	2.4
345.06369	2.6
347.07733	4.7
355.08231	3.5
365.10388	1.8
379.08167	2.4
391.08347	3.9
397.09244	8.7
409.09531	4.1
419.07587	2.7
421.09262	2.4
423.07285	12.2
439.10455	6.1
441.12149	10.1
483.09375	6.7
524.35565	1.9
559.12476	58.8
577.13464	16.9
647.28992	1.8
692.23083	1.9
745.17438	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	745.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95635	0.4
57.03318	8.3
57.33903	0.3
57.35383	0.3
57.63119	0.6
65.49194	0.4
66.17646	0.4
66.85205	0.5
67.01733	0.5
68.99670	0.4
72.49004	0.5
81.03320	1.9
82.08894	0.4
83.01234	3.3
83.04864	0.3
83.14999	0.3
85.64311	0.4
86.10323	0.4
91.72763	0.5
93.03312	4.1
95.01242	1.2
95.04871	0.5
97.02814	1.4
97.49960	0.4
104.62077	0.5
105.03325	1.2
107.04903	1.1
108.02029	5.5
109.02818	13.2
111.04396	5.1
113.82284	0.4
116.58084	0.4
119.04876	0.6
121.02816	7.1
122.03601	0.6
123.00744	4.1
123.04351	3.3
124.01540	2.7
125.02315	100.0
125.05938	1.4
125.26288	0.4
126.02679	1.1
127.78526	0.4
130.38930	0.4
133.02007	0.5
133.02817	2.7
133.06488	0.7
135.04453	1.0
135.70807	0.4
137.02324	29.6
138.03142	3.1
139.03893	13.7
145.02850	0.5
147.04402	1.1
149.02335	12.5
149.05975	1.4
151.03915	3.7
159.04382	1.4
161.02361	3.0
161.05956	0.6
162.03130	0.8
163.00302	1.3
163.03889	2.9
164.01073	4.2
165.00519	0.8
165.01845	11.3
166.02612	1.2
167.01982	0.9
167.03406	15.2
170.02199	0.4
173.02365	0.6
173.05858	0.6
174.03101	0.7
175.03891	4.4
176.01077	1.5
177.01848	98.9
177.07950	1.1
178.02441	1.7
179.03412	10.2
183.04385	0.5
187.03938	2.8
188.04753	0.7
189.01817	1.2
189.05516	0.9
190.02644	1.0
191.03442	3.2
191.07062	1.1
193.05011	1.0
199.03928	1.8
200.04744	0.7
201.01988	0.6
201.05516	1.8
203.03464	3.1
204.04259	2.1
205.01367	1.0
205.04886	1.2
211.03941	1.2
213.05548	1.9
215.03421	2.2
215.07111	0.4
216.04370	0.6
217.01334	1.1
217.05019	2.3
218.05864	0.8
219.02982	1.4
219.06578	8.1
221.04503	5.4
225.05640	1.3
227.03450	1.2
228.04294	1.3
229.05124	3.5
230.05836	0.7
231.06589	6.5
237.05458	0.4
239.03516	1.3
240.04277	0.6
241.05087	1.5
242.05794	0.8
243.03017	3.8
243.06642	1.1
245.04509	0.6
247.02324	0.5
253.05096	0.7
255.02943	9.1
255.06784	0.6
256.03754	4.3
257.04532	8.5
258.05402	0.9
259.05896	0.8
260.06735	0.5
261.04068	4.3
261.07718	6.5
263.05786	0.5
265.05133	0.4
267.03113	1.6
268.03720	2.6
269.04575	7.1
270.05331	1.5
271.06073	0.7
273.04605	0.7
273.07687	8.3
275.05823	0.5
280.03549	0.4
281.04510	1.5
282.01691	0.7
283.02502	5.2
284.02856	0.4
285.04144	2.2
287.44736	0.5
288.02673	0.9
295.02521	2.1
295.05795	0.4
296.03241	1.2
297.04077	6.4
298.04871	1.1
299.05615	0.7
300.02765	0.7
301.04272	0.4
301.07239	2.4
302.04346	0.5
302.07709	0.5
302.57022	0.4
303.05103	6.7
303.08432	0.8
305.06683	42.0
306.07059	0.8
309.04062	0.8
310.04785	0.6
311.09299	0.5
313.07214	0.9
314.07910	0.5
315.08899	0.8
317.06680	5.3
323.09134	1.3
341.06769	0.8
343.07724	0.5
345.06201	0.8
349.07376	0.9
355.08139	1.7
364.05301	0.5
365.10550	0.7
375.05185	1.9
376.05988	1.4
377.06659	1.0
378.07422	1.0
379.08255	1.3
391.08301	5.8
392.08981	0.9
397.09177	1.3
404.05414	0.6
405.05838	1.0
409.09302	3.7
419.07706	2.9
421.09354	1.1
423.07187	13.7
433.09122	0.8
435.07266	2.8
439.10645	0.8
441.11935	30.8
441.79810	0.5
442.12494	0.8
451.10422	3.8
483.08640	0.5
532.43195	0.5
533.14709	1.4
559.12482	71.8
560.12976	2.2
577.13580	11.0
601.13495	0.8
619.14655	4.8
625.05585	0.5
648.12799	0.5
727.16449	1.2
745.17773	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	745.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	3.4
57.63103	0.4
65.00195	0.4
69.03307	1.1
81.03310	3.7
83.01240	13.7
83.04871	0.4
91.56651	0.5
93.03313	2.5
95.01225	1.0
95.04879	1.6
97.02827	2.1
105.03333	0.9
107.04910	1.3
108.02024	3.7
109.02815	11.7
111.04379	4.9
113.36374	0.4
119.04883	0.8
121.02813	7.1
123.00730	3.9
123.04401	2.3
124.01545	4.8
124.98796	0.9
125.02312	100.0
125.06220	0.9
126.02631	0.9
127.48872	0.4
130.06216	0.4
133.02811	2.1
133.06483	0.6
135.04373	3.3
137.02324	31.9
138.03084	2.0
139.03886	13.8
140.04233	0.5
141.72285	0.4
143.04874	0.7
144.85306	0.4
145.06493	0.6
146.03622	0.5
147.04385	1.5
149.02325	9.0
149.05971	1.5
151.03862	4.9
159.04439	1.6
161.02386	4.4
161.05981	1.1
162.03139	1.3
163.00258	1.1
163.03894	3.4
164.01035	5.4
165.01826	14.0
166.02562	0.8
167.03400	14.0
173.05969	1.2
174.03172	0.7
175.03894	6.8
176.01062	1.6
176.04672	1.1
177.01848	71.2
177.05368	7.4
178.02477	1.4
178.06224	2.8
179.03413	12.1
183.04364	0.7
187.03947	3.6
189.01842	2.6
189.05469	1.0
191.03465	1.9
191.06987	2.4
193.05011	1.4
193.08627	2.3
199.03970	1.2
200.04747	0.7
201.05507	1.8
203.03426	4.1
204.04210	2.2
205.01326	2.3
205.04955	0.9
211.03969	0.8
213.05479	1.0
215.03474	2.2
217.01353	1.0
217.05122	2.3
217.08603	0.7
218.05893	0.7
219.03030	1.3
219.06560	9.3
221.04509	4.8
225.05525	0.9
227.03409	1.9
228.04257	1.7
229.05025	3.0
231.03123	0.9
231.06664	1.2
233.04478	0.6
237.07712	0.8
239.03537	0.8
240.04164	0.7
241.05066	0.8
243.03052	4.3
243.06555	0.9
245.04637	0.9
246.05272	3.3
248.38332	0.5
253.05157	0.6
254.02068	0.6
255.02985	7.8
255.06981	0.6
256.03790	2.9
257.04605	2.1
258.05188	0.6
261.07684	57.1
262.07986	1.1
263.05423	0.9
267.03000	3.8
268.03842	1.5
269.04590	3.4
270.05194	0.8
271.06198	0.8
273.04187	0.6
273.07739	0.6
281.04465	0.9
282.01770	0.7
283.02518	5.0
284.03259	0.7
285.04053	1.6
287.05557	1.0
289.07410	0.6
295.02539	1.8
295.05698	0.5
296.03262	0.9
297.04047	4.9
298.04843	0.6
299.05685	1.1
300.02951	0.5
300.06302	0.7
301.07242	1.1
303.05075	0.6
305.06680	72.9
306.07028	1.6
309.04202	0.7
311.05655	0.6
311.09125	0.8
313.07141	1.7
315.05179	2.0
323.09195	1.0
345.06158	0.7
349.07211	0.8
355.08142	2.4
364.05920	0.6
365.10242	1.3
367.08258	0.6
375.14505	0.5
376.06015	0.7
377.06827	0.8
378.07523	0.8
379.08160	1.1
391.08173	3.9
392.09018	0.6
397.09250	2.9
404.05197	0.6
405.06296	1.1
409.09424	6.3
419.07684	1.9
421.09213	0.9
423.07294	11.8
433.08972	1.2
435.07001	4.2
439.10428	9.9
465.08273	0.7
483.09314	6.2
530.37927	0.4
533.14526	1.3
559.12488	44.8
560.12976	2.4
577.13477	14.8
578.13586	0.6
716.59406	0.5
727.17029	0.6
745.17786	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	745.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27958	0.9
57.03315	9.1
64.32297	1.1
68.15158	1.1
79.04277	1.0
83.01235	4.0
90.46873	1.2
93.03310	1.5
95.01255	1.7
96.95863	5.9
97.02818	2.7
107.04918	1.7
108.02065	1.1
109.02833	12.4
111.04382	6.1
113.12184	1.3
119.81853	1.3
121.02819	2.7
123.00750	2.5
123.04397	2.0
124.01563	2.7
125.02315	100.0
126.02666	1.3
131.04904	1.5
135.04420	2.4
137.02322	26.2
138.03139	1.7
139.03879	12.7
149.02318	3.0
149.06003	1.5
151.03902	5.0
159.04419	2.3
161.02324	9.4
162.02994	2.3
163.00217	1.5
163.03868	3.1
164.01013	4.0
165.01814	14.3
167.03375	13.7
169.58234	1.2
175.03879	7.0
176.01062	2.9
177.01849	14.2
177.05482	3.6
178.02492	1.6
179.03421	13.1
180.65425	1.2
183.28235	1.2
187.03931	3.6
188.01054	1.4
189.01826	23.1
190.02612	10.5
191.03484	1.5
191.07094	1.7
193.04979	1.4
199.03973	3.4
203.03545	1.6
204.04170	1.4
205.05052	1.5
211.03932	2.2
213.05435	2.0
215.03442	1.8
219.06570	9.3
221.04527	5.4
227.03508	2.5
228.04150	1.5
229.05052	4.6
241.04945	2.0
243.02921	6.6
243.06667	1.9
253.05014	2.5
255.02998	20.6
256.03723	4.3
257.04572	3.2
261.07849	3.4
269.04587	7.4
270.05338	3.5
273.04095	5.7
282.01782	3.3
283.02402	12.4
285.04144	3.2
297.03992	12.8
298.04849	8.6
305.06689	74.8
306.06772	2.0
313.07208	79.9
355.08334	3.3
397.09659	3.0
423.07230	77.7
424.07974	1.6
439.10168	3.1
441.08344	12.5
465.08731	1.4
577.13550	2.5
579.36383	1.5
619.14722	3.4
620.20355	1.5
745.17804	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	745.297
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65829	0.1
78.95762	3.7
79.95588	1.7
94.92362	0.2
96.92080	0.4
96.95871	100.0
96.96762	6.1
96.98489	1.3
99.00778	0.1
144.17319	0.1
154.99739	0.2
173.00801	0.3
239.83057	0.1
379.13998	0.2
392.27823	0.1
409.16257	0.1
435.08148	0.2
453.09430	0.2
565.23267	0.2
685.27557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48665	0.1
61.98679	0.3
70.54205	0.1
71.01230	0.2
71.60497	0.1
78.95298	0.2
78.95761	3.2
78.96204	0.2
79.95590	1.6
87.51772	0.1
89.32710	0.1
91.73318	0.1
91.79573	0.1
94.92360	0.3
96.92076	0.6
96.93300	1.5
96.95870	100.0
96.96764	6.1
104.55220	0.1
106.89557	0.1
121.39368	0.1
173.00818	0.3
435.08054	0.2
453.09323	0.2
565.22980	0.2
685.27283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87615	0.6
80.04910	1.2
84.08024	1.2
85.03917	4.6
87.05494	7.1
91.72762	1.4
94.06461	0.8
94.47323	0.7
97.03928	3.3
98.02348	0.9
98.94753	0.6
109.00173	0.8
113.03442	4.8
115.08631	8.2
124.02666	1.0
125.07036	1.5
129.10211	6.7
138.77924	0.7
139.04982	0.9
139.08652	3.1
140.07042	7.5
140.10672	0.9
141.06580	1.4
141.10210	0.9
148.49629	0.9
148.50627	1.3
153.10197	2.7
155.08142	3.7
155.11771	5.1
158.46416	0.8
165.10239	10.2
166.07408	1.1
167.08168	6.0
169.09747	2.0
181.09732	2.7
182.12903	7.5
183.11282	3.3
183.14862	0.9
184.10840	5.4
193.13437	2.2
194.11819	1.1
197.16539	8.4
200.13980	15.4
207.15007	1.7
210.12413	0.9
210.16122	1.5
211.14507	2.4
212.10323	0.8
223.14536	2.1
226.12003	1.1
228.17131	2.6
236.17709	0.9
242.18727	1.6
252.20821	2.5
268.20291	6.2
278.18781	0.9
281.19833	16.9
295.21301	2.4
297.19678	0.8
299.20914	7.5
309.19229	2.5
313.22400	1.4
324.18076	1.4
325.18884	4.5
327.20358	1.8
350.22150	3.5
367.27386	3.2
368.23044	36.5
381.28711	2.3
407.26764	4.6
410.27792	1.5
436.29166	1.4
477.74496	0.9
490.33713	2.1
533.38318	2.1
565.37152	1.2
577.37250	95.7
578.37329	5.1
611.36011	100.0
612.36609	4.3
745.40857	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	745.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
75.93392	1.1
76.16828	0.9
84.08053	1.2
84.88456	1.0
85.03937	4.6
87.05498	8.6
87.92509	1.0
97.03934	2.6
98.02306	1.5
110.82983	1.1
111.01843	1.1
112.07535	1.1
113.03441	6.3
115.08635	7.5
122.04707	1.3
122.57835	1.1
125.07083	2.4
129.10205	5.8
130.08633	1.3
136.19391	1.0
139.08627	2.4
140.07047	6.6
141.06601	2.8
141.10211	1.5
153.10239	3.3
155.08191	5.8
155.11819	6.8
165.10252	11.3
167.08195	6.5
169.09673	1.6
181.09767	3.6
182.12898	9.1
183.11305	4.5
184.10777	6.6
193.13493	2.0
194.11861	1.2
194.66747	1.3
197.16525	8.3
200.13995	17.3
207.15019	3.1
211.14539	5.9
223.14580	2.8
226.12022	2.2
228.17210	4.2
232.33823	1.0
237.16173	1.1
242.18674	1.3
252.20851	3.0
254.18748	1.9
258.77292	1.1
262.15820	1.2
268.20316	9.2
281.19830	16.2
282.12790	1.0
295.21432	2.0
297.19382	2.0
299.20801	10.3
313.22421	2.2
324.18088	1.5
325.18799	5.7
327.20349	3.3
350.22134	5.3
367.27115	2.1
368.23056	40.5
381.28812	3.1
382.24615	1.4
407.26547	3.6
410.27838	1.5
490.34143	2.2
533.38153	2.3
565.37073	1.8
577.37268	100.0
578.37500	4.1
611.36029	100.0
612.36169	4.0
745.41406	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	745.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
70.32976	0.3
78.95761	1.1
80.26469	0.4
84.54160	1.0
84.54681	0.8
87.93981	0.4
92.02522	0.5
106.04114	1.5
107.04894	0.7
108.77957	0.4
119.04896	4.7
121.02810	3.7
121.07298	0.4
133.06479	1.6
142.27206	0.4
152.99406	0.6
153.28874	0.4
161.09659	0.6
175.11169	0.6
203.14362	0.5
231.17595	1.1
245.19086	2.7
247.16962	0.6
249.18645	0.9
259.20654	7.9
271.20795	0.5
287.23819	21.4
288.23993	0.6
297.22226	1.1
299.23813	16.4
315.23276	10.1
317.24866	56.6
318.25082	0.8
361.23883	100.0
362.24295	1.6
466.54462	0.5
658.99066	0.6
745.46796	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31635	0.1
74.55277	0.2
74.99647	0.1
78.95762	0.4
84.54175	0.4
89.38286	0.1
91.72710	0.2
93.03344	0.6
101.32133	0.1
104.89148	0.2
108.02030	15.4
109.02863	0.2
114.56156	0.1
121.02817	15.6
122.03609	7.8
122.04512	0.2
123.04411	1.0
134.03596	2.1
135.04369	1.0
152.01031	2.6
152.99500	0.3
190.09926	0.2
191.10747	0.4
192.11516	0.4
204.11540	0.2
206.13029	0.2
218.13113	0.4
219.13884	0.2
220.14742	0.3
221.33478	0.2
232.14713	0.7
233.15422	0.2
246.16301	0.9
260.17789	0.7
274.19385	0.5
315.23114	0.3
316.24081	17.3
317.24847	100.0
318.25189	2.8
328.04440	0.2
331.22818	0.5
339.20010	0.5
349.23865	1.5
361.05823	0.6
361.23868	71.5
362.24219	1.8
383.21771	0.3
448.63934	0.2
745.46674	26.0
746.46960	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	0.3
58.06793	0.1
64.62598	0.1
69.21100	0.1
71.04842	0.1
71.51566	0.1
74.55244	0.1
75.55157	0.1
78.95754	0.9
80.39165	0.1
84.54151	0.4
84.54670	0.3
91.72727	0.3
92.02518	0.6
93.03310	0.2
95.82693	0.1
106.04110	2.1
107.04870	1.0
108.01994	0.4
114.65250	0.2
119.04890	2.8
121.02827	4.7
121.06379	0.2
128.75537	0.2
128.79979	0.2
133.06439	0.4
137.02325	0.2
141.12675	0.5
145.22478	0.2
152.99445	0.8
153.12695	0.2
161.09644	0.3
163.11177	0.5
175.11154	0.8
189.12723	0.4
217.12355	0.3
227.14063	0.1
229.14311	0.2
231.17499	0.9
233.15453	1.9
245.15512	0.7
247.17036	1.0
250.34236	0.2
279.23059	0.3
289.21765	0.6
299.23825	2.7
315.23178	1.1
317.24863	100.0
318.25180	1.5
329.23398	0.2
333.20703	0.2
361.23877	89.3
362.24173	1.6
418.09259	0.2
465.22513	0.3
473.65024	0.1
658.03857	0.2
745.46643	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	745.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
62.62624	0.1
63.29570	0.1
69.25114	0.1
75.65171	0.2
78.95781	0.2
82.01191	0.3
89.70753	0.1
91.73325	0.2
92.02519	0.4
95.00630	0.1
95.01261	0.2
99.93267	0.3
100.22724	0.1
106.04091	1.6
107.04896	1.5
108.02042	0.3
109.68246	0.1
113.09572	0.8
119.04883	4.2
121.02813	2.5
125.09563	0.4
133.06459	1.0
145.06204	0.2
152.99583	0.1
161.09579	0.2
175.11263	0.3
189.12813	0.4
191.10730	0.2
191.14354	1.8
201.12682	0.1
203.14339	12.6
204.14825	0.2
205.12170	0.3
217.15912	0.2
219.13857	27.6
220.14278	0.7
224.48863	0.1
233.15450	0.9
235.13313	0.4
239.40184	0.1
247.17154	0.2
289.25345	0.3
290.42761	0.2
299.23804	42.7
300.24197	1.7
315.23300	4.2
316.23584	0.2
317.24860	17.1
318.25104	0.6
361.23865	100.0
362.24158	3.8
633.61414	0.2
745.46661	10.0
746.46503	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
70.40023	0.1
71.35178	0.2
73.88158	0.2
78.05240	0.2
78.95772	0.2
82.01200	0.3
85.06437	0.9
91.73390	0.2
92.02539	0.7
93.03331	0.2
99.08030	0.2
99.93249	0.3
105.70027	0.2
106.04094	2.0
107.04887	1.0
108.02019	0.5
117.96282	0.2
119.04894	5.4
120.09219	0.2
121.02818	3.6
133.06468	1.7
137.02364	0.2
152.99451	0.4
161.09518	0.2
175.11195	0.4
185.28481	0.2
189.12872	0.3
203.14342	0.4
215.14325	0.3
217.16025	0.2
219.13914	0.8
219.17499	0.7
231.17506	36.2
232.17755	0.8
245.19221	0.6
247.17017	6.0
261.18564	0.2
299.23804	42.1
300.24081	1.2
315.23273	3.0
317.24857	14.7
318.25180	0.4
335.22519	0.2
361.23865	100.0
362.24207	2.8
685.54382	0.2
745.46649	9.5
746.46759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38328	2.4
54.24103	2.5
61.44648	2.6
67.66016	2.4
68.66407	2.5
76.78970	3.1
83.36474	3.3
111.76735	3.6
113.80446	3.1
132.87605	3.8
144.94221	3.3
188.84200	3.9
209.28900	3.2
225.09155	4.3
355.94385	3.9
447.32501	10.8
468.07709	4.3
655.55048	7.7
657.56195	59.6
658.56635	5.5
745.54327	100.0
746.54089	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	745.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23084	0.3
56.93152	0.2
62.23103	0.2
63.14288	0.3
63.50222	0.3
79.37415	0.4
80.10011	0.3
82.12891	0.3
93.03274	1.0
97.75298	0.3
119.04863	0.7
121.02817	9.6
122.03622	1.5
134.03545	0.4
135.04396	2.0
140.87207	0.3
148.68944	0.3
174.87872	1.0
180.05696	0.5
181.06416	0.4
195.04437	1.8
195.08293	0.4
196.05252	3.0
197.05920	0.4
198.06802	0.4
199.07608	0.6
207.08075	1.4
209.06026	2.1
210.06783	1.8
211.07547	0.9
212.08363	1.9
223.03838	1.0
223.07574	0.8
224.08366	0.6
225.09148	4.0
237.05537	0.7
237.09117	0.7
239.10645	1.0
244.07385	0.4
253.12271	0.4
267.13910	0.6
279.23523	0.4
281.15427	0.9
282.50372	0.4
287.20282	0.4
295.17041	0.5
301.22012	0.6
309.18372	0.6
311.30032	0.3
323.19946	0.6
327.27127	2.2
329.28525	4.2
337.21851	0.7
344.27252	1.9
345.28003	2.4
371.25986	0.9
373.27646	1.4
375.15152	0.3
377.24582	0.7
391.26407	1.2
403.26431	0.4
405.27774	2.1
418.28683	1.9
419.29550	0.7
432.30270	1.1
433.31073	1.0
434.31808	0.7
446.28171	2.7
447.32663	8.3
460.29404	0.6
461.34427	2.2
470.18271	0.4
475.35526	1.0
489.37369	1.2
503.38760	0.6
517.40491	1.3
531.42114	0.7
639.55035	0.6
655.54425	2.7
657.56219	62.9
658.56628	3.3
683.54199	2.8
701.55365	5.5
727.53113	8.3
728.53394	0.4
745.54193	100.0
746.54620	6.5
746.67786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03468	5.2
53.76867	5.2
55.38531	5.1
59.01228	26.8
60.64970	5.0
61.98659	6.9
64.37943	5.5
71.01230	13.5
77.42359	5.8
85.89355	6.2
89.02282	12.4
100.95121	6.9
101.02310	13.8
119.03346	9.7
130.15906	6.1
131.09799	5.5
179.05519	8.1
189.00235	7.7
205.42883	6.2
295.75342	7.1
303.32568	7.9
321.63641	7.4
451.00104	6.9
461.96671	10.2
530.46124	21.7
548.47528	10.1
563.65411	9.0
710.52454	100.0
746.49725	27.5
756.53131	8.3
779.35992	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	747.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40311	0.8
52.40522	0.3
57.03316	0.3
71.01255	0.7
79.95592	4.9
80.96373	2.1
85.21038	0.3
87.00739	1.0
95.95075	0.4
96.93067	0.8
96.95870	100.0
96.98332	1.5
101.02280	0.8
101.95280	0.3
113.02325	0.8
116.72713	0.3
125.02324	1.6
137.02307	0.8
138.96941	1.0
150.96936	0.8
161.06065	0.4
166.96478	1.0
167.03372	0.4
177.01811	1.3
178.02078	0.3
222.99080	0.5
225.00740	1.0
231.30772	0.3
236.88216	1.0
241.00220	24.3
241.56699	0.3
242.00629	0.4
305.06793	0.6
339.86096	0.3
341.13873	0.6
371.15280	0.3
448.06915	1.2
560.12415	0.6
561.13013	0.5
585.12866	1.6
614.94037	0.3
650.23987	0.4
724.89569	0.5
747.18207	38.2
747.96967	0.3
748.18182	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34521	0.6
57.03326	0.9
57.63038	1.3
59.01746	0.6
62.13286	0.5
65.00183	0.9
68.07259	0.9
78.77573	0.7
83.04875	2.5
88.33450	0.7
90.51100	0.9
90.51566	1.0
90.65688	0.6
91.05390	1.8
93.06902	0.7
94.80727	0.7
96.95826	0.7
99.04386	1.4
99.07997	1.6
107.01248	2.7
109.02814	1.9
109.06448	15.1
110.03606	1.7
115.07513	1.2
121.02812	1.5
121.06457	6.9
125.09566	1.1
137.06012	3.5
139.07504	2.9
151.00247	10.9
157.08595	1.8
163.00264	2.2
178.99796	5.4
181.04971	2.9
183.06538	74.1
184.06903	1.3
193.12186	0.9
195.20641	0.7
199.04231	1.1
199.06039	5.0
201.05502	0.8
207.13881	1.1
211.04041	1.0
219.13753	3.8
226.02562	1.4
227.03555	2.3
229.05045	1.0
237.14914	7.0
243.02930	4.9
245.04527	1.2
254.02455	1.2
255.02989	16.7
271.02502	36.6
272.02972	1.9
273.03952	1.8
281.13959	0.9
283.02722	1.3
298.13867	1.0
299.02026	14.1
299.15005	100.0
300.02753	60.2
300.15271	1.8
301.03534	42.3
302.03790	1.9
430.40985	0.9
447.09348	90.4
448.09668	4.4
449.09875	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	747.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20401	0.2
57.63088	0.2
61.98690	0.4
78.95766	3.0
79.95594	1.7
82.78149	0.2
83.35037	0.2
87.00729	0.3
94.92358	0.6
96.92081	1.6
96.93063	0.7
96.95870	100.0
96.96763	5.9
96.98317	1.5
105.24980	0.2
175.02441	0.3
226.14131	0.3
397.14063	0.3
501.07007	0.4
556.08337	0.3
687.29419	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39423	0.2
57.99362	0.3
61.98697	0.4
65.29075	0.3
66.61446	0.3
71.01266	0.3
77.68793	0.3
78.95755	2.7
79.95590	1.2
94.92379	0.8
96.92078	1.6
96.93133	1.0
96.95870	100.0
96.96759	5.5
96.98337	1.4
116.35674	0.3
145.02844	0.3
150.47278	0.3
249.88678	0.3
292.15097	0.3
435.08344	0.5
453.09528	0.6
577.37396	0.7
611.35785	0.4
687.29022	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44032	1.5
61.98676	1.5
67.98763	1.8
78.95747	8.4
83.57698	2.0
101.05927	2.5
123.04398	5.2
136.05199	3.7
151.22444	1.9
152.99429	5.6
161.05920	2.2
173.06062	3.0
174.06757	3.8
201.05579	2.0
202.06268	6.3
205.04614	1.8
213.05508	2.7
217.12332	16.8
222.29919	2.1
245.08167	8.9
245.11804	67.3
246.12144	2.1
263.07230	2.3
273.09381	2.2
281.24878	7.0
291.06662	3.2
292.07404	2.2
293.08319	2.8
303.06638	3.1
307.06097	3.0
315.06635	2.7
316.07306	2.6
318.05276	3.8
319.06207	5.5
320.07056	2.0
321.07544	2.9
345.11447	2.1
347.12921	2.3
348.13562	4.4
359.13113	4.1
361.14532	2.2
377.14084	3.5
387.12448	5.5
389.14011	6.8
391.19135	20.4
392.12842	4.9
399.12610	2.1
403.12100	2.8
403.19260	2.3
404.12717	2.4
405.13461	5.0
417.13538	7.3
429.20737	16.6
457.20624	2.2
473.19678	6.1
483.18253	2.4
489.19052	19.4
490.19501	4.6
491.20880	36.4
501.19199	26.7
502.19904	2.7
685.31720	3.5
719.32379	2.8
729.32019	2.5
747.31909	100.0
747.46295	5.6
748.32184	7.8
756.61475	3.4
767.67627	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	747.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
65.06124	6.9
71.16293	7.0
78.26776	7.3
78.95760	28.8
91.73336	11.0
96.06163	8.9
110.08794	7.4
112.69006	6.4
122.04012	6.7
142.24130	6.9
147.86058	7.0
152.99538	16.8
160.78671	8.0
172.58018	7.7
183.01164	10.9
196.17972	8.2
231.17462	12.0
280.35663	10.2
293.16107	8.0
315.23383	26.4
339.20035	100.0
359.22491	20.2
387.25525	19.0
610.60492	9.1
720.41260	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58791	1.6
58.67085	1.6
58.93691	1.3
67.64574	1.7
71.04893	1.7
71.15809	1.5
73.04876	1.4
84.95736	1.7
96.95856	6.5
112.17139	1.5
119.61174	1.6
125.09582	2.5
136.19513	1.7
139.11168	4.0
155.10635	2.5
170.35901	1.8
247.20639	16.0
265.21768	14.5
272.19833	1.9
291.19556	10.0
309.20718	19.2
327.21802	46.9
345.22849	81.4
346.23221	2.3
394.86862	2.1
398.58160	1.8
419.26511	5.1
461.83920	2.4
473.52402	2.0
747.49072	100.0
748.49445	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	747.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.8
67.06345	0.7
68.74325	0.8
81.73589	0.7
96.95869	2.9
98.71255	0.7
115.51693	1.1
122.37333	0.9
125.09580	2.5
127.11140	2.0
137.09561	1.2
139.11182	3.3
141.12729	1.3
155.10643	1.3
171.10170	1.8
201.11333	1.5
212.91878	0.8
247.20644	13.2
248.03775	0.9
265.21762	11.1
273.18524	1.5
281.21262	0.9
283.22836	1.9
291.19641	7.6
301.23798	1.2
309.17123	1.1
309.20737	21.5
310.21060	1.2
327.21780	36.0
345.22839	64.5
346.23184	1.2
388.50317	0.8
419.26578	5.7
523.39429	1.0
637.42847	1.7
655.44385	2.1
673.45227	3.8
744.99170	0.9
747.49121	100.0
748.49756	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	748.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00448	1.3
57.31059	1.1
59.01243	27.0
61.86846	1.2
62.02611	1.1
71.01244	14.0
85.02798	3.5
87.00716	1.6
89.02293	21.7
101.02300	13.6
113.02325	6.9
119.03364	14.8
161.04425	3.3
179.05545	6.7
225.22198	6.5
273.43497	1.7
278.24768	1.9
293.65768	1.7
296.26056	3.5
393.42307	1.8
399.54797	1.6
532.47296	14.8
544.66748	1.8
550.48419	6.9
651.82611	1.8
712.53748	100.0
713.53650	8.0
748.51282	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61265	1.5
59.01240	22.1
62.44974	1.6
62.79172	1.9
63.96759	1.9
71.01242	13.0
86.24812	2.3
89.02293	20.0
101.02312	9.1
113.02315	7.4
119.03391	7.8
152.99483	2.7
161.04538	2.4
169.40703	2.1
179.05536	8.5
224.22136	2.2
225.22200	3.4
255.23320	8.0
256.23587	5.0
278.24896	4.0
280.36240	2.5
296.25824	3.6
329.89749	2.4
500.01660	2.3
532.47406	16.2
550.48462	7.4
632.66656	2.4
636.05212	3.0
660.57214	3.1
712.53729	100.0
713.54047	3.1
748.51410	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	749.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88993	0.3
56.39307	0.2
56.95221	0.2
57.37648	0.4
70.52670	0.3
71.76888	0.3
72.99166	3.4
93.03273	0.5
99.07993	0.3
101.05946	0.9
106.04091	1.1
107.04887	1.0
109.06451	3.9
119.08498	0.5
121.02834	3.5
134.03593	0.5
135.04350	0.9
135.11656	0.6
136.05159	1.2
163.11182	100.0
163.16745	1.2
164.11528	3.1
165.12755	4.7
175.11177	0.8
184.87909	0.3
191.10701	0.3
193.12262	9.6
207.10262	1.6
209.11801	0.4
219.10132	1.6
221.91429	0.3
237.11295	4.1
251.09233	14.1
267.86493	0.3
325.09308	17.6
326.09674	1.2
553.15582	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89000	1.2
55.89231	0.5
64.52403	0.4
68.99693	0.4
69.13255	0.4
72.99166	17.5
73.02800	1.3
73.32298	0.4
93.03312	0.5
99.07989	1.0
101.05920	1.0
102.88720	0.4
106.04087	1.2
107.04913	1.5
109.06449	2.0
118.04073	0.7
119.08529	0.7
121.02827	3.7
127.07539	0.6
129.07458	0.5
134.03645	1.0
135.04382	1.0
135.11673	7.6
136.05225	0.8
142.17946	0.5
147.11661	0.9
150.03123	1.0
163.11186	46.9
165.05505	0.6
165.12730	3.4
173.09641	0.5
175.11211	3.9
191.10715	2.9
193.12260	7.3
195.06552	0.6
195.10144	0.5
207.10208	2.1
209.11797	1.4
217.41223	0.4
219.10260	1.1
235.09734	0.5
237.11371	1.0
251.09251	1.9
263.65176	0.8
281.10339	0.6
325.09302	100.0
326.09650	2.4
357.13492	0.8
367.14102	1.0
395.16269	0.5
683.25873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62617	0.8
57.90042	0.9
59.01231	1.1
60.90496	0.9
93.03318	2.1
96.95852	1.6
101.23711	0.9
101.57922	1.1
108.02047	2.8
109.02807	3.2
123.04378	4.8
125.02345	1.2
134.03603	2.2
135.04402	4.3
136.01552	3.4
137.02245	1.2
139.03857	1.1
145.02814	2.3
146.03625	41.1
147.04352	3.4
149.05957	1.4
150.03104	2.5
151.03876	2.7
153.01840	2.2
161.02374	1.0
161.05974	14.3
162.03098	3.3
163.03905	8.0
164.03288	1.9
164.04683	35.5
165.05498	3.6
167.03407	1.3
174.03040	2.2
175.03897	2.2
176.04669	2.5
177.01830	1.8
177.05478	2.6
179.07050	36.9
181.10669	1.0
191.07033	3.4
192.04169	5.2
195.06520	2.8
207.06540	7.0
211.07635	2.1
227.07175	1.2
229.08591	1.4
239.07120	9.8
240.04318	1.8
241.08476	1.4
242.05902	1.4
243.06621	2.7
244.07375	1.2
253.08704	1.2
255.06584	4.0
256.07376	3.4
257.08179	13.9
267.06589	8.0
268.07422	2.7
269.08139	2.4
270.05292	2.2
270.09067	1.5
271.06671	0.9
271.09695	5.7
272.07016	1.6
281.08191	1.9
282.09045	4.4
283.06271	2.2
283.09708	2.9
285.07700	33.0
286.08374	2.6
287.09296	6.2
295.06030	1.8
297.07733	2.5
297.11212	1.3
298.08417	1.8
299.09351	5.5
300.06583	1.7
300.10010	25.8
301.10706	2.6
302.03992	1.4
311.09366	2.4
312.10165	2.6
313.10788	4.1
314.07965	3.4
315.12317	11.5
327.12396	1.8
328.09503	2.2
329.10434	5.3
332.09045	29.4
340.09543	2.2
343.11816	3.6
346.10312	1.6
355.12009	5.2
358.10681	9.6
370.10715	2.2
373.12964	49.8
374.13745	1.4
384.12067	2.2
385.12729	5.3
466.23950	1.2
491.16977	2.2
493.18637	1.6
505.18594	3.0
521.18140	2.3
523.19586	5.3
535.19867	3.7
539.19312	5.9
553.20868	100.0
554.20691	3.2
569.20319	19.7
574.07739	1.1
602.31982	1.2
701.26392	2.9
719.27203	14.6
731.27594	2.1
749.28180	47.3
750.28491	2.4
756.64117	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71172	0.3
57.03291	0.5
59.01234	2.2
64.62858	0.4
71.01234	1.1
74.14687	0.4
85.02807	1.3
87.00752	0.9
88.28903	0.4
89.02303	0.5
90.01988	0.4
96.04335	0.4
96.95868	2.2
99.00700	0.7
101.02325	1.2
113.02296	0.8
113.05956	0.6
119.04893	85.6
119.08266	1.2
125.02317	1.0
127.07544	1.3
129.09079	7.3
134.03648	0.5
137.02312	0.5
138.87524	0.5
143.04454	0.6
150.03137	0.5
163.03908	100.0
165.05499	0.7
169.64861	0.5
193.04970	2.0
195.06541	1.1
199.02319	0.9
236.80858	0.5
261.00867	0.6
261.17078	17.0
285.04114	0.5
293.22141	0.5
295.06668	0.6
306.07672	0.8
325.09311	20.5
327.04956	0.9
389.12415	1.6
423.22391	25.9
426.04391	0.5
439.35199	0.5
551.18005	1.0
689.14136	0.7
720.72211	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59641	1.5
78.77383	2.0
84.98866	1.7
85.84394	1.7
91.72771	3.3
97.71009	1.4
108.02029	1.7
123.04394	6.9
149.80821	1.8
157.06520	1.6
163.07498	3.4
163.11203	2.0
202.06151	2.0
205.12289	5.4
217.08649	4.9
217.12219	3.8
220.43741	1.9
233.08105	2.5
243.10191	2.3
245.08189	9.8
245.11760	14.0
247.09709	8.6
249.09097	1.8
251.68759	1.8
259.09576	2.2
268.20609	1.7
272.16580	2.0
274.40643	1.8
278.05823	2.4
279.06607	5.1
279.87119	1.9
281.08380	2.2
291.06586	4.4
292.07373	3.5
293.08081	3.5
303.06876	1.8
316.07263	2.0
320.07034	2.8
321.07715	4.5
325.09464	3.3
331.06006	2.8
337.14429	2.1
361.14752	3.3
375.12231	2.8
387.12503	4.1
389.13889	5.8
391.11874	5.6
392.12549	2.5
392.22098	2.0
401.13943	3.5
403.12219	2.5
405.13101	5.0
455.18332	5.1
457.16138	2.5
473.19742	10.9
485.19568	4.4
491.20734	4.9
503.20901	9.7
504.21524	4.1
535.18225	2.0
547.17236	2.5
629.25726	3.9
631.23035	2.8
632.23962	4.7
647.26843	3.3
650.25488	3.5
701.31122	3.2
713.31812	9.0
719.32239	7.3
721.32971	2.2
731.32196	25.8
749.33325	100.0
750.34039	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	749.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14992	3.1
62.50797	3.2
64.41779	3.5
66.33809	3.0
72.54681	3.1
91.28447	3.3
94.06105	3.6
101.02309	11.7
113.55495	3.9
118.38409	3.7
123.04370	9.4
136.05185	4.4
150.43288	3.8
151.26852	4.2
163.11275	5.4
176.11440	3.3
202.06302	5.1
217.08797	6.1
217.12312	14.2
237.13434	3.5
245.08174	25.3
245.11790	64.3
251.39548	3.7
258.09061	4.3
291.06622	6.0
293.08365	4.9
303.06549	4.1
305.08444	5.5
319.06293	4.8
346.04849	5.3
389.14163	7.4
391.11877	6.9
392.12729	16.0
401.13992	12.9
419.15134	5.3
473.20087	6.2
485.19543	7.0
491.20764	22.7
503.20752	54.7
504.21747	5.3
635.04626	4.3
647.26691	4.8
731.32422	16.5
749.33350	100.0
750.33698	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	749.448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	1.0
59.01242	3.2
63.03626	0.2
67.01743	0.7
69.03294	0.3
78.48785	0.2
78.95763	0.6
81.03294	0.4
83.04858	1.0
93.03311	0.8
94.39403	0.3
95.04875	1.9
96.95844	1.1
98.95403	0.3
107.08507	0.7
111.05062	0.4
111.08017	17.5
121.06451	0.3
123.07996	0.8
123.32405	0.3
137.09601	3.8
149.09602	4.9
151.07510	0.4
156.75394	0.2
159.24731	0.2
161.09601	0.8
163.11179	0.3
165.12737	0.6
166.30035	0.3
167.10683	2.6
167.63094	0.2
175.11203	0.3
219.14006	0.5
219.17499	8.7
232.92494	0.3
245.15448	1.0
249.18588	4.7
253.09282	0.7
256.71466	0.3
263.05750	0.9
263.16525	100.0
264.16965	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	749.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
66.27116	10.0
69.43774	8.7
74.34567	10.2
78.95782	16.5
119.04952	19.6
125.65285	10.5
152.45839	10.0
189.95297	11.0
257.19052	27.0
317.24545	23.9
318.25284	15.3
325.25458	27.1
328.35773	14.2
352.80484	12.0
361.23508	23.1
362.24216	19.4
386.24301	20.1
387.25446	100.0
650.78760	14.9
749.45557	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	749.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17997	0.3
59.74827	0.3
84.76981	0.5
85.04681	1.1
85.05237	0.7
85.06416	1.5
85.80426	0.4
87.89967	0.4
102.69704	0.4
102.95956	0.4
105.99500	0.4
106.04079	0.8
110.62132	0.4
117.18903	0.4
119.04887	0.9
121.02805	1.7
135.42628	0.4
163.61836	0.4
183.01108	0.6
209.54134	0.4
233.19106	4.3
253.27420	0.4
257.19141	0.5
261.18613	5.3
281.11499	0.4
301.25348	4.1
317.24850	33.0
318.25208	0.9
319.26422	67.0
320.26981	2.3
325.76355	0.4
339.19937	1.7
363.25433	100.0
364.25787	2.6
387.25467	1.2
749.49969	14.3
750.50006	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59652	0.4
53.85175	0.5
61.98753	0.5
68.92574	0.5
78.95744	1.5
84.54129	1.8
84.54673	1.0
92.02584	0.6
93.03307	0.8
93.47473	0.6
106.04115	1.7
107.04933	0.7
108.02034	4.1
119.04881	2.2
121.02029	1.0
121.02827	13.7
121.87165	0.5
122.03614	2.8
123.04379	1.2
133.06448	0.7
134.03592	1.1
135.04367	0.6
152.01004	0.9
152.99435	1.4
163.11118	0.8
180.46541	0.5
207.46834	0.5
214.35635	0.6
233.15472	2.2
246.16231	0.7
247.17064	1.0
258.16257	0.6
272.17734	0.7
280.84677	0.7
299.23788	1.9
315.23093	1.2
317.24869	100.0
318.25113	2.9
319.25546	0.7
342.25690	1.5
343.26456	25.1
361.23880	91.0
362.24326	2.2
387.25439	35.9
388.25555	0.8
389.27246	0.9
749.44366	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.9
65.00175	0.4
70.02957	0.4
71.68329	0.4
78.59187	0.3
84.36278	0.3
91.73441	0.4
94.76826	1.2
94.77479	0.9
100.97614	0.4
107.01254	1.3
109.02829	0.6
123.00636	0.4
124.01540	1.0
126.38542	0.3
128.98572	0.3
136.01514	0.5
137.02296	2.0
138.34897	0.3
150.15593	0.4
151.00279	5.5
152.01094	0.7
161.02245	0.4
163.00276	1.3
164.01059	1.3
169.01332	0.5
178.99768	5.7
183.10205	2.8
188.04773	0.3
193.01393	0.4
201.11246	5.6
203.03210	0.6
204.04210	0.6
214.02657	4.8
227.03412	0.6
232.03552	0.4
242.02203	3.6
243.02879	1.9
243.12329	4.3
259.02548	4.5
260.82419	0.4
263.57968	0.4
270.01672	4.7
271.02490	29.4
281.63367	0.4
287.01968	14.6
288.02466	1.6
292.72314	0.4
316.02240	88.2
317.02954	16.7
318.03317	0.7
463.08853	100.0
464.08981	4.7
538.61816	0.4
590.53589	0.4
612.84027	0.4
751.27698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31121	0.3
54.57979	0.3
58.99969	1.4
59.01243	100.0
59.02349	1.5
60.01587	0.3
69.02124	0.3
71.01241	11.6
72.99213	0.3
73.02807	13.3
78.95746	0.3
83.01238	4.1
85.02796	2.4
89.02299	10.3
95.01254	0.6
96.95897	0.5
99.00745	0.4
101.02306	18.3
113.02310	7.0
119.03378	4.9
125.02319	0.8
131.03389	1.7
143.03366	1.9
149.04439	3.2
155.03387	0.4
161.04443	6.6
179.05600	1.5
187.01862	0.4
203.05559	1.0
221.06705	1.7
230.39198	0.4
289.16577	1.5
331.17563	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	751.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
62.49772	1.0
93.86938	1.2
101.05921	1.7
116.24922	1.3
123.04375	4.0
163.07564	1.8
217.12328	2.0
233.08293	1.8
236.06921	1.6
245.08069	1.6
245.11816	5.3
247.68088	1.3
256.68414	1.3
263.92123	1.2
267.10226	1.3
291.06586	3.8
293.08356	1.4
305.08325	1.7
316.07343	2.0
319.06119	2.2
321.07767	2.8
331.06189	1.6
331.13412	1.8
375.11871	1.6
376.13464	1.5
389.14023	2.5
403.11615	2.7
403.16245	1.8
447.18182	1.6
487.21353	2.5
493.22266	2.9
505.21887	2.2
506.21008	1.4
733.33179	3.5
751.34961	100.0
752.34869	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	751.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20261	0.4
59.00460	0.4
59.01239	1.6
68.42265	0.3
68.87852	0.4
69.45132	0.3
71.01239	0.9
71.45153	0.4
72.99166	3.6
74.99072	1.9
75.00732	100.0
75.02634	0.7
75.68172	0.4
85.02818	0.5
87.00710	0.5
89.02311	1.6
94.91630	0.5
101.02321	1.0
113.02306	0.5
119.03334	0.5
120.00215	0.4
125.02367	0.8
126.08706	0.4
128.07893	0.4
143.03355	0.4
235.08153	0.6
241.73630	0.5
277.21716	3.6
280.34393	0.4
287.07761	0.4
356.24390	0.4
397.13528	7.5
415.14487	2.7
690.99030	0.5
768.87067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.5
71.01242	1.6
72.99166	2.4
74.98989	1.8
75.00732	100.0
75.46373	0.5
89.02288	1.9
96.95856	0.7
101.02338	1.1
101.58849	0.5
109.77557	0.5
114.14988	0.5
119.03388	0.7
137.94513	0.5
145.02841	0.6
150.41129	0.5
178.35350	0.6
235.08141	0.8
277.21716	4.0
312.63272	0.7
322.56885	0.6
349.17657	0.6
397.13593	7.2
415.14566	2.9
551.26501	1.9
583.27985	0.6
598.97003	0.7
675.34930	1.0
734.04675	0.6
761.65759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.171
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28379	0.3
58.28673	0.3
63.22421	0.7
63.22692	0.4
67.15350	0.4
67.60542	0.3
68.11183	0.4
70.67098	0.3
72.99167	5.5
79.95602	1.7
80.02528	0.6
80.96378	0.9
81.03293	0.4
81.73125	0.4
87.00717	0.4
96.95873	13.8
107.04893	0.5
108.02029	28.1
113.02276	0.5
122.97452	3.0
123.04385	16.0
123.08383	0.4
123.94197	0.4
125.02361	0.9
135.04370	1.1
151.03871	0.6
151.07523	0.6
152.01041	69.3
153.01401	0.8
154.33366	0.4
154.81325	0.4
161.05975	0.9
162.03079	0.4
163.11198	5.5
164.11528	3.2
165.11783	0.9
166.97931	1.1
167.03401	100.0
168.03778	1.1
179.03445	2.0
179.07082	1.6
219.10153	0.5
235.13297	0.5
247.13486	0.4
248.53001	0.5
251.09581	0.4
259.02798	7.4
273.15109	1.3
291.16074	1.2
317.13849	1.4
325.09274	0.6
326.09525	0.6
335.15033	7.0
353.16068	14.2
427.07065	48.2
427.15692	7.8
428.07397	1.5
717.04584	0.4
724.45300	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95579	0.9
55.70618	0.4
56.67091	0.6
59.01243	17.4
59.17185	0.9
59.17441	0.9
64.73647	0.4
69.03296	0.6
71.01235	3.9
71.04855	0.5
73.02785	0.9
78.01705	0.7
78.47177	0.4
78.95734	1.0
83.01222	0.7
83.28191	0.5
85.02795	1.0
87.00719	0.9
89.02309	2.5
97.02800	4.2
97.06419	0.9
99.00736	8.6
101.02312	2.7
109.06438	1.1
110.03586	2.3
113.02291	2.0
119.03320	0.9
123.07980	0.6
125.02319	1.5
125.09585	4.2
133.04930	0.6
135.08005	0.9
137.43071	0.5
142.02562	1.1
152.99419	1.4
159.08061	0.5
163.11188	7.2
179.05536	0.8
181.12260	17.6
197.11667	0.8
199.13341	1.2
204.36098	0.5
207.10205	50.1
208.10381	0.7
225.02113	1.2
225.11284	100.0
226.11653	1.3
235.08195	1.0
243.12375	11.9
249.18588	70.4
250.18886	0.9
253.09271	2.8
299.15158	1.5
317.16022	0.9
443.19312	3.4
461.20325	40.0
462.20627	1.4
579.63812	0.6
657.64362	0.7
693.38617	29.5
694.39539	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.3
56.57257	0.3
58.01110	0.8
58.01344	0.3
59.01241	9.7
60.06222	0.3
60.47625	0.3
61.98685	0.3
69.73218	0.3
71.01240	3.1
73.02802	1.1
78.95747	0.6
87.00716	0.5
89.02292	1.3
95.01244	0.4
95.04871	0.7
97.02805	1.6
97.06451	1.8
99.00737	13.5
101.02298	3.0
110.03598	0.7
113.02330	1.6
117.06963	2.5
119.03352	0.4
123.04385	3.3
125.02306	0.4
133.06479	0.5
135.08029	6.5
137.02261	0.4
142.02589	0.8
145.04936	0.8
152.99481	0.7
153.09094	16.9
161.04443	1.0
171.10217	0.4
179.05540	0.6
179.07048	4.4
197.08113	35.3
204.77843	0.3
215.09218	3.5
235.08218	4.1
253.09221	4.5
259.20566	0.4
277.21725	100.0
278.22052	1.6
325.56122	0.3
377.14764	0.4
415.16141	4.0
433.17038	5.1
481.40601	0.4
513.30914	1.1
657.81873	0.4
693.38629	21.2
753.42108	0.5
756.62384	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
72.70056	2.9
78.95757	17.7
91.96691	3.0
93.03323	6.1
107.04888	31.9
119.04892	6.0
119.57074	3.0
121.02823	5.7
139.90921	3.9
152.99469	5.1
233.35999	3.4
271.79642	3.7
317.24969	28.5
325.25198	21.8
357.96423	3.6
361.23886	100.0
369.24399	40.5
753.47125	24.4
753.84717	3.7
784.34644	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	755.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00180	0.5
69.03861	0.5
71.24226	0.9
77.79737	0.5
83.01218	0.6
88.18716	0.5
103.59306	0.5
107.01230	1.9
108.02062	1.3
115.40014	0.5
121.02824	0.7
145.02820	0.7
148.01573	1.6
151.00250	7.1
163.00317	1.4
178.99771	4.9
199.03908	1.0
211.03992	0.9
215.03625	0.5
216.04166	0.7
226.02701	1.7
227.03391	2.8
227.12810	7.1
243.02980	10.9
244.03712	0.7
249.18512	2.8
254.02153	1.8
255.02968	25.4
271.02493	55.8
272.03073	3.8
299.01999	3.8
300.02756	100.0
301.03455	10.3
318.64096	0.6
463.21826	0.6
591.13416	0.7
609.14667	31.8
610.15063	1.6
755.18835	30.9
755.39545	0.8
756.18774	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	0.6
65.00179	0.8
69.03895	0.7
71.24239	1.1
74.07032	0.6
83.39658	0.5
107.01253	2.4
108.02019	1.0
112.85403	0.6
121.02821	0.9
121.38205	0.6
148.01573	1.0
151.00247	7.0
163.00264	1.4
178.99757	5.5
199.03865	1.8
201.01941	0.7
211.03848	1.2
216.04129	0.8
226.02623	1.0
227.03531	2.5
238.70015	0.7
243.02962	13.5
254.02194	2.6
255.02982	26.6
256.03397	1.0
271.02496	63.0
272.03091	3.5
296.11066	0.6
299.02161	3.4
300.02762	100.0
301.03503	10.2
429.08246	0.8
591.13269	0.9
596.47668	0.7
609.14728	31.2
610.15259	1.2
653.94788	0.8
755.18793	30.8
756.19116	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	755.183
Annotation	Variabiloside F
Peak:m/z	Relative Intensity
55.99405	0.3
59.32623	0.4
60.17230	0.3
63.02257	0.4
65.00208	0.9
65.71024	0.4
69.57118	0.3
70.29702	0.4
71.24210	1.0
79.27534	0.4
83.01216	0.6
87.89472	0.3
91.73224	1.4
93.24087	0.3
96.02031	0.4
103.59885	0.4
107.01260	2.2
107.12444	0.4
108.02028	1.1
119.04872	0.7
121.02812	1.1
135.00734	0.9
138.69194	0.4
145.02812	1.0
148.01552	1.5
151.00261	8.0
161.53708	0.5
163.00279	1.5
163.03894	0.6
164.01085	0.7
169.01245	0.5
178.99768	4.0
183.04494	0.5
198.03116	0.6
199.03922	1.5
201.01802	0.9
201.34035	0.4
215.03427	1.0
216.04256	1.0
226.02707	1.7
227.03450	3.3
243.02968	11.5
244.09586	0.4
254.02170	2.2
255.02975	26.2
256.03412	0.6
271.02496	59.6
272.03210	2.8
299.01941	4.4
300.02756	100.0
301.03476	9.6
355.04773	0.6
429.08261	0.6
524.35773	0.4
591.13599	1.4
609.14679	37.3
610.14716	0.9
655.92212	0.5
755.18378	29.9
756.19373	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.183
Annotation	UNII-8PGL6583N7
Peak:m/z	Relative Intensity
53.32715	0.1
54.31320	0.1
56.99602	0.1
59.01237	0.2
59.73950	0.1
63.02254	0.6
63.20047	0.1
64.56062	0.1
65.00172	1.1
65.87314	0.1
68.97770	0.1
69.03877	0.1
69.18471	0.1
71.24232	0.3
71.24565	0.2
82.72382	0.1
83.01241	0.8
83.01732	0.1
89.02291	0.2
91.01759	0.3
103.59303	0.2
107.01248	2.4
108.02037	1.3
109.02818	0.3
110.24883	0.2
117.03324	0.4
119.04900	0.7
121.02822	1.0
123.53040	0.1
124.01585	0.2
125.02349	0.2
135.00746	0.9
145.02786	0.7
148.01529	1.8
149.02315	0.3
151.00253	9.3
152.00919	0.3
153.01807	0.3
159.04350	0.2
161.06049	0.3
163.00272	1.5
163.03911	0.5
164.01036	1.0
164.29630	0.2
169.01337	0.7
171.04436	0.3
174.03191	0.2
175.03932	0.2
178.99770	5.9
179.01334	0.3
183.04478	0.5
187.03873	0.4
190.99825	0.3
192.00597	0.4
198.03154	0.4
199.03932	1.4
200.04633	0.2
201.01869	0.5
201.05551	0.2
203.03447	0.3
204.04211	0.2
205.05107	0.3
211.03993	0.9
213.01952	0.3
214.02620	0.2
215.03339	0.9
216.04129	1.0
226.02663	1.5
227.03430	2.9
228.04282	0.2
229.01360	0.3
229.05110	0.3
242.02312	0.2
243.02966	12.7
244.03622	0.6
245.04524	0.4
254.02173	2.4
255.02975	29.1
256.03333	0.8
271.02490	65.3
272.03091	3.8
273.04077	0.2
283.02478	0.4
285.04083	0.2
299.01978	4.2
300.02750	100.0
301.03473	10.4
301.07104	0.2
302.04071	0.2
303.04953	0.2
320.50638	0.2
325.03485	0.4
355.04694	0.5
429.08383	0.7
447.09061	0.2
591.13159	1.2
609.14655	31.2
610.15277	0.6
755.18341	24.9
756.18939	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23353	0.0
59.01221	0.2
63.02254	0.3
65.00176	0.7
65.33951	0.0
71.24231	0.1
71.24588	0.1
83.01233	0.4
85.02808	0.1
91.01740	0.2
93.03321	0.1
107.01240	1.7
108.01322	0.1
108.02027	1.8
108.02757	0.1
109.02804	0.2
119.01243	0.1
120.01144	0.1
120.02052	0.2
120.46660	0.1
121.02823	0.6
123.00732	0.1
124.01530	0.2
125.02306	0.1
133.02814	0.1
135.00761	0.6
136.01488	0.1
139.96313	0.1
143.04854	0.1
145.02737	0.1
145.04813	0.1
147.00772	0.1
148.01532	1.8
149.02344	0.1
149.99484	0.1
151.00258	5.4
152.00995	0.3
153.01814	0.2
155.04890	0.1
158.03542	0.1
159.04401	0.1
161.02292	0.1
163.00269	1.1
163.03876	0.1
164.01060	0.7
169.01393	0.4
169.02762	0.1
171.04335	0.2
172.05183	0.1
173.02295	0.1
174.03084	0.2
175.03931	0.2
176.04608	0.1
178.99774	3.9
183.04520	0.3
185.02457	0.1
187.03889	0.4
188.04645	0.1
190.02530	0.1
190.99773	0.1
192.00644	0.4
198.03145	0.3
199.03926	1.2
200.04695	0.1
201.01787	0.4
201.05573	0.1
202.02600	0.2
203.03387	0.3
209.00833	0.1
211.03963	0.8
212.04536	0.1
213.01920	0.1
215.03416	0.9
216.04196	0.6
226.02658	1.9
227.03442	3.3
228.04085	0.2
229.01463	0.2
229.04974	0.2
239.03719	0.1
242.02245	0.1
243.02965	13.0
244.03638	0.6
245.04565	0.1
254.02217	2.6
255.02974	30.5
255.14055	0.2
256.03363	0.7
257.04565	0.1
271.02487	66.8
271.14703	0.5
272.03107	2.9
273.03888	0.3
281.04416	0.1
282.01450	0.1
283.02374	0.2
285.04163	0.1
297.03864	0.1
299.02005	2.5
300.02747	100.0
300.16959	0.8
301.03415	5.9
301.17725	0.1
314.04446	0.1
325.03430	0.2
327.04779	0.1
343.04675	0.3
355.04648	0.1
367.04483	0.1
489.09930	0.3
518.79132	0.1
591.13361	0.2
609.14136	0.1
663.05896	0.1
755.20453	38.9
756.20691	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	755.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01226	3.0
65.00163	0.8
71.01230	2.1
83.52711	0.9
105.99673	0.9
107.01258	1.9
108.02032	1.4
109.99961	3.2
112.14069	0.8
112.87970	1.4
112.88622	1.2
123.00711	1.4
137.99422	1.3
139.00208	3.2
143.04533	1.1
148.01570	1.7
151.00267	8.5
152.01045	1.5
163.43367	1.1
165.98981	6.6
166.99719	1.8
171.04433	2.0
178.99744	4.6
183.04439	3.0
186.75252	0.9
187.03856	1.9
198.03154	3.2
199.03951	2.3
201.05566	1.1
207.53574	1.1
211.04039	2.2
214.02037	1.1
215.03452	2.5
216.04163	2.0
226.02713	3.8
227.03502	8.5
229.05165	1.0
243.02969	19.9
244.03464	2.3
254.02264	3.8
255.02969	40.1
256.03571	2.1
257.04544	1.9
270.92685	1.1
271.02484	63.1
272.03214	11.5
273.03937	1.3
282.01703	1.3
283.02472	14.9
284.03223	2.7
285.04022	3.1
299.01968	7.8
300.02737	95.7
301.03436	12.0
306.07788	1.3
321.15518	2.5
376.13950	1.1
489.10455	1.2
737.18469	1.0
755.20459	100.0
756.20636	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	755.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.8
63.02255	0.6
65.00183	0.4
67.11916	0.4
80.63306	0.3
83.01257	0.4
89.02272	0.4
92.84151	0.3
93.02777	0.5
93.03343	0.6
95.79892	0.3
95.89241	0.3
98.79888	0.4
99.00314	0.6
99.00864	0.5
99.21193	0.3
105.80595	0.3
107.01254	1.4
117.03280	0.3
125.02284	0.5
133.02803	0.3
143.04974	0.3
151.00240	3.4
151.05092	0.3
155.04816	0.3
159.04399	0.7
163.00307	0.5
163.54868	0.3
165.41983	0.3
169.01335	0.8
169.06447	0.3
169.46806	0.3
171.04457	0.6
178.99759	1.1
182.03674	0.3
183.04437	3.0
185.06059	0.4
187.03864	0.7
199.03960	0.4
201.05560	0.3
211.03943	2.6
227.03455	15.0
228.04001	0.5
229.05132	1.4
239.03452	0.8
241.04967	0.3
255.02982	60.8
256.03561	2.5
257.04559	1.4
269.04422	0.4
271.02545	0.4
271.06268	0.3
281.04559	0.5
283.02496	85.3
284.03262	57.8
285.04047	27.3
285.16730	0.3
289.07080	0.3
297.03961	0.5
299.01996	0.5
300.03052	0.4
309.03918	0.7
326.04202	1.0
327.05090	0.8
363.16562	0.4
413.08875	1.7
446.08560	8.0
447.08966	0.7
543.97766	0.4
593.15179	100.0
594.15405	3.0
635.16260	1.0
755.20453	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02262	0.4
65.00204	0.4
83.01242	0.6
92.63647	0.2
93.03332	0.7
99.00309	0.3
99.41928	0.5
99.42554	0.4
99.63106	0.3
107.01228	1.2
108.02063	0.4
117.03315	0.5
126.22147	0.2
132.02066	0.3
135.00757	0.6
137.02341	0.3
143.04922	0.3
151.00255	2.8
152.01041	0.3
153.01787	0.3
155.04909	0.5
158.25876	0.2
159.04396	0.8
163.00327	1.2
165.01770	0.3
167.04895	0.4
169.01387	0.4
169.06500	0.9
171.04465	0.7
173.02322	0.5
173.06042	0.3
174.03119	0.4
174.57910	0.3
178.99759	0.4
182.03836	0.3
183.04428	2.0
185.02338	0.4
185.06000	1.1
187.03944	0.9
189.05457	0.8
195.04396	0.5
197.05992	0.6
199.04005	0.7
211.03964	1.8
213.05507	1.1
214.02666	0.4
215.03488	0.4
217.05164	0.3
227.03464	14.1
228.04170	0.3
229.05035	4.3
230.55205	0.3
239.03471	0.9
239.07135	0.3
240.04384	0.6
241.05173	0.6
243.03012	0.3
253.04990	0.3
255.02982	48.8
256.03647	2.7
257.04532	3.3
269.04584	0.5
281.04626	0.7
283.02499	54.1
284.03262	36.8
285.04056	100.0
286.04361	2.1
297.04013	0.7
298.04755	0.5
299.05533	0.5
307.06055	0.5
326.04349	0.5
327.05096	2.7
446.08536	4.1
447.09103	2.1
593.15173	92.3
594.15460	2.8
635.16248	0.6
755.20496	7.0
756.20740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2717
Annotation	Alatolin
Peak:m/z	Relative Intensity
59.00975	0.9
59.01242	9.3
61.98664	0.9
85.95093	0.5
105.21628	0.5
108.02066	0.8
109.02853	1.4
121.02830	2.7
123.04356	0.8
134.03630	3.7
135.04381	1.8
136.01559	5.7
137.02353	2.9
147.04413	1.3
149.02219	0.7
149.05956	1.8
151.03903	5.8
159.04402	1.4
160.05162	1.0
161.05959	1.5
173.05942	1.1
175.03914	0.8
175.07535	0.6
189.05493	1.3
190.06281	1.6
214.06287	0.8
229.04883	0.7
241.05040	1.3
243.06592	1.2
244.07341	0.9
251.07155	1.0
255.06558	1.4
263.07019	0.7
269.08170	0.9
279.75528	0.6
280.07635	0.8
281.08398	0.7
284.06909	0.8
290.07932	0.8
307.09668	0.7
309.07779	0.7
311.09259	0.9
335.09067	0.8
339.08585	0.8
387.12991	0.7
415.11887	0.8
431.10880	0.8
433.12860	1.5
447.14594	0.9
448.15271	1.1
453.12933	0.8
460.11160	0.8
461.12408	1.9
474.12936	0.8
475.13913	2.9
508.13467	0.8
513.15698	1.5
514.16400	1.1
624.24402	0.7
649.21161	0.7
665.23364	1.9
695.24921	4.7
725.25885	1.6
755.27148	100.0
756.27429	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	9.3
61.98689	2.5
99.38791	2.7
109.02788	3.3
109.70863	2.2
116.92738	4.5
119.23563	2.4
123.87808	2.4
130.86345	2.4
135.04465	2.7
136.01585	4.9
137.02377	5.5
138.86623	2.4
142.33806	2.4
151.03889	3.3
154.13069	2.4
162.03123	4.7
163.03940	5.6
171.37593	2.6
175.03940	3.8
176.04749	3.5
225.68369	3.0
239.07054	5.1
342.14270	2.6
399.08759	3.4
443.11398	3.0
483.14716	3.1
494.31641	3.1
580.34149	3.0
580.72784	3.2
662.21588	5.9
677.24396	5.3
695.21832	3.8
707.20984	5.7
722.24060	10.2
725.26270	49.2
737.26093	100.0
738.26257	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	755.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39702	0.9
59.01233	5.0
64.54837	0.9
67.01745	1.0
71.01235	4.9
78.95762	2.5
79.01301	1.1
79.79120	1.1
81.18114	1.0
82.55586	1.0
83.01260	1.7
85.02804	17.1
87.00734	19.0
90.21069	0.9
115.00236	14.2
116.37479	1.0
119.04886	2.2
125.61578	1.0
129.01842	2.6
152.99425	1.6
157.01338	19.4
170.64609	1.4
175.02388	7.9
255.23291	52.3
271.02432	2.0
277.21582	1.5
297.22299	4.0
300.02646	3.7
301.25436	3.3
329.68396	1.1
341.21243	8.8
343.26367	1.2
345.24207	2.1
413.25488	100.0
414.25613	2.1
436.18341	1.5
609.15424	1.4
755.48163	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	757.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13517	0.8
59.00995	1.1
59.01245	9.3
61.98701	1.3
72.44613	1.0
77.63695	1.0
80.81497	0.9
91.01756	3.2
93.03316	9.6
107.04891	3.7
108.02039	3.1
108.19124	0.8
109.02814	5.7
121.02829	19.7
123.04398	10.0
133.02826	5.7
134.03650	2.1
135.04413	2.2
136.01567	3.1
137.02365	1.8
145.02829	1.2
147.04364	1.0
149.02318	13.2
150.03119	5.8
151.03905	12.9
152.10365	1.0
155.76384	1.2
160.05180	1.6
161.02333	3.7
162.03169	5.3
163.03871	3.6
163.39244	0.9
165.01840	4.2
177.01907	4.9
177.05482	3.3
178.02678	1.6
179.03412	59.2
191.03418	2.9
209.04472	1.5
235.07634	3.2
251.07045	1.8
251.99467	1.1
258.01514	1.1
258.90121	1.1
263.07068	1.9
269.04443	1.3
274.93314	1.0
279.06583	6.0
289.05057	1.6
290.47183	1.2
293.08237	3.4
294.09085	1.1
304.07162	1.4
305.08505	1.1
307.06122	9.2
313.07153	2.1
322.08469	23.3
337.10855	36.1
338.11124	1.5
532.13885	1.5
546.81714	1.4
547.16150	100.0
548.16516	4.2
635.22382	2.1
665.23737	1.9
677.23120	1.2
725.26233	8.2
727.26813	2.4
738.26385	2.5
739.26489	5.0
757.19849	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03321	1.0
61.59042	1.3
64.00455	0.7
72.99150	1.3
77.41994	0.8
80.32916	0.9
93.03310	1.5
99.08018	11.3
101.05933	12.0
101.86616	0.7
107.04887	11.2
114.45573	0.8
118.04125	4.0
119.04887	1.5
121.02805	1.2
125.02287	4.7
135.04391	14.7
136.05171	9.5
137.02330	1.3
163.11243	1.8
165.12756	1.7
167.03423	2.4
173.09685	1.3
175.11168	14.9
177.01857	3.0
191.10716	3.6
193.12263	59.7
204.45221	0.9
219.10156	2.3
238.92906	1.0
305.06824	2.3
307.08252	3.4
325.09302	100.0
325.24268	1.6
326.09659	2.1
718.70923	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	14.2
90.54557	0.7
108.02011	1.1
109.02841	2.0
121.02814	1.6
122.03615	0.8
123.04386	1.2
134.03595	3.7
135.04422	3.6
136.01546	8.3
137.02316	6.2
146.03732	1.3
147.04425	2.5
149.05968	1.4
151.03893	5.9
158.03625	1.6
159.04420	2.3
160.05241	1.6
161.06001	2.6
162.03143	1.2
163.03940	1.8
164.04849	0.8
172.05196	1.5
173.06036	0.8
175.03902	4.7
176.04674	1.6
176.08165	0.8
177.05510	1.9
178.06155	0.9
183.31732	1.6
187.03795	0.9
188.04704	1.6
189.05455	3.6
190.06310	3.3
206.05833	0.9
218.06479	0.8
221.08183	1.8
222.05272	2.7
239.07137	1.0
251.07082	1.0
265.05222	1.1
265.08450	1.0
267.06754	0.9
278.05853	1.0
279.06766	1.2
281.08145	1.0
291.06473	0.9
293.08197	1.4
294.09247	1.0
355.09720	1.0
371.09048	1.5
383.09427	1.0
385.10672	1.1
386.11630	1.0
387.08435	1.1
393.62875	0.9
401.09933	1.1
413.10123	1.4
414.11041	1.4
415.11801	2.3
416.13071	1.0
427.11963	2.0
429.13452	3.3
431.15271	1.8
441.13434	1.6
443.11252	1.0
445.13132	1.4
453.13623	1.8
458.13834	1.4
459.14526	2.3
467.15448	1.5
473.16150	1.0
485.16159	2.1
492.14279	1.2
522.65424	0.9
589.18713	1.7
603.20099	1.2
619.19830	1.4
631.21002	0.9
649.25208	3.5
661.24591	1.3
667.23456	1.2
679.24207	4.2
694.23596	1.4
697.26703	7.1
709.26575	19.2
710.26300	1.1
712.26038	1.0
721.26575	4.2
724.25183	2.6
727.27673	69.9
728.28284	4.9
739.27667	100.0
740.27991	5.8
757.28033	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58915	0.4
59.01243	8.8
61.98687	1.2
69.86065	0.5
82.54767	0.6
90.67573	0.5
93.03293	0.9
96.95846	0.8
102.37862	0.7
108.02013	2.2
109.02820	2.5
111.00845	0.5
114.09629	0.5
119.04832	0.6
119.32555	0.5
121.02773	2.7
123.04377	1.3
134.03632	3.5
135.04376	2.1
136.01543	15.6
137.02335	6.0
146.03552	0.8
147.04417	1.2
149.02336	1.7
149.05975	2.1
150.03123	0.9
151.03900	14.1
159.04384	1.9
160.05193	1.6
161.05983	1.8
162.03098	0.9
163.03940	1.5
172.05138	0.8
173.06081	1.8
175.03926	2.0
175.07513	0.7
176.04681	1.3
177.01836	1.3
177.05472	1.4
179.03407	3.4
189.05525	1.6
190.06273	1.1
191.07050	1.4
193.04988	0.7
196.32034	0.6
225.05688	0.7
227.03299	0.7
228.04356	0.9
229.05080	1.4
239.03194	0.7
241.05167	0.9
242.05777	0.7
243.06694	1.2
244.07368	1.1
253.05060	0.8
254.05888	1.1
255.06711	0.9
257.04648	0.7
257.08121	1.1
263.07153	0.8
265.04874	0.7
266.05887	0.8
267.06714	1.2
271.09891	0.6
272.06842	0.6
276.06378	1.2
277.05127	0.9
279.06561	0.6
280.07391	0.8
281.08472	0.9
282.08914	0.8
290.08115	0.7
293.08109	1.0
299.09381	0.9
306.08945	0.7
309.07782	1.1
313.10928	1.1
323.09103	1.4
325.10989	1.0
331.09805	0.9
333.11292	0.7
384.09937	0.7
389.14969	0.7
401.10510	0.7
403.11935	0.9
409.15451	0.7
417.13605	0.9
438.14688	0.7
447.13928	0.7
447.75043	0.6
462.13385	0.6
463.13889	1.3
473.16110	0.7
477.15604	1.9
491.17288	1.4
510.15649	0.8
532.13953	1.4
536.23718	0.8
537.17712	0.9
547.15765	5.2
589.19238	0.8
637.24268	1.7
660.43506	0.7
667.25720	3.1
677.66217	0.7
681.23114	0.8
697.26611	6.4
727.28162	5.2
757.28754	100.0
758.29175	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	757.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63896	0.7
56.86884	0.8
56.91713	0.7
59.01239	8.5
68.06415	0.9
81.74294	0.9
81.95990	0.9
93.41506	0.8
108.02061	1.0
109.02820	2.4
121.02829	2.0
130.15393	0.8
134.03596	2.7
135.04478	1.1
136.00565	1.3
136.01544	18.3
137.02336	7.1
147.04362	0.8
149.02290	1.6
149.05969	1.2
151.03909	14.3
157.09624	1.1
160.05226	1.5
161.06001	1.9
163.03970	1.4
173.06009	1.3
175.03935	2.3
176.04735	1.1
184.98201	1.0
189.05615	1.4
190.06264	2.3
191.06995	1.2
201.05626	1.2
228.04245	1.0
229.05112	1.1
241.04984	1.0
242.05801	1.1
243.06670	1.8
261.16589	0.9
295.09714	1.7
313.84344	1.0
391.16000	1.0
477.15842	1.0
522.24915	1.1
531.20142	1.4
667.25385	3.1
697.26868	6.7
727.27765	5.1
757.28735	100.0
758.29089	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	757.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.6
57.03315	1.7
59.58987	0.3
67.97060	0.3
69.03310	4.8
71.01225	1.0
71.04884	0.9
71.99194	0.3
72.99167	16.5
73.02802	2.5
76.04396	0.3
79.42007	0.3
83.04873	0.5
84.15786	0.4
85.02789	2.3
97.02806	8.3
98.40965	0.5
99.04374	0.8
109.02804	0.5
113.02307	50.7
114.02692	0.6
119.04858	0.4
121.02815	0.5
121.06482	0.6
125.02314	52.7
126.02599	0.4
137.05965	0.6
141.01826	4.9
143.03391	1.4
146.58788	0.3
147.04424	0.8
149.05956	1.4
151.11201	0.6
157.06392	0.4
165.05479	2.5
174.03111	0.9
175.03929	1.7
177.09131	0.7
177.12865	0.6
179.10713	2.1
181.12262	0.6
186.06784	0.4
193.05051	0.6
193.12263	0.6
203.10777	0.6
204.11525	1.1
205.12256	0.7
207.10150	0.5
209.04411	1.6
209.90450	1.1
215.14429	1.4
217.16072	0.4
219.81932	0.3
224.92853	1.1
231.10194	2.3
231.13908	0.6
232.11000	3.2
233.15448	1.2
243.13853	2.9
247.13402	0.8
249.11418	0.8
249.14977	0.5
253.19594	0.5
259.13483	1.1
261.14926	4.6
263.13037	0.5
264.83807	0.4
269.11899	0.4
269.19180	1.5
271.20703	0.8
275.12924	1.1
277.14548	0.7
287.12878	2.6
297.18698	1.1
305.13904	2.6
307.11908	1.1
315.19739	4.0
333.20731	17.4
349.12933	4.0
366.95737	0.9
367.13995	100.0
368.14362	3.2
395.13489	12.1
396.13968	0.6
423.13016	39.1
424.13327	1.1
570.31616	0.9
695.44287	0.4
720.85272	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.8
57.48446	0.7
58.67613	0.6
58.99942	1.3
59.01244	100.0
59.02402	1.9
63.91500	0.7
66.26187	0.7
69.03333	0.8
71.01242	12.8
71.01598	1.5
71.04874	1.1
73.02805	13.4
83.01228	3.1
85.02802	6.0
89.02288	1.2
91.73373	1.3
96.95880	1.6
99.00748	2.5
101.02312	9.0
108.02087	1.2
113.02314	6.7
119.04936	1.7
123.04395	3.0
127.11175	1.1
133.06456	1.0
135.08047	3.2
153.09119	10.6
159.02797	2.0
160.40587	2.0
161.04431	5.2
191.14229	1.0
217.02333	0.9
223.13275	2.1
244.54591	0.9
255.02966	2.2
257.19135	5.3
272.02811	1.5
275.20288	2.6
281.83679	1.2
284.03241	2.0
289.13702	1.1
289.16794	13.7
300.02786	3.1
301.03076	2.9
301.18176	3.0
302.03296	1.6
307.15494	2.0
319.19220	6.5
331.17584	8.6
337.20251	28.4
381.19220	59.9
382.19608	1.1
457.54169	0.9
521.02533	1.0
611.15735	1.7
757.18689	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	757.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	43.4
78.95773	100.0
84.26933	13.5
97.46093	15.9
108.14557	14.5
113.93141	12.8
114.97198	14.1
120.72635	12.5
142.05814	14.1
152.99509	66.0
196.89391	16.2
225.11415	17.8
276.79623	17.6
277.21667	34.0
339.20139	79.7
486.46075	17.7
757.41760	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	757.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04800	6.9
59.01237	15.9
61.98688	12.3
78.95753	100.0
91.12041	8.5
119.04878	14.2
145.02859	12.0
148.86108	9.9
152.99503	50.6
157.02579	9.5
211.13298	9.9
239.65697	11.5
249.57629	9.7
272.10141	10.9
274.84280	10.3
277.21582	22.0
282.40622	11.6
311.22311	15.4
339.19952	19.5
341.19016	10.7
359.22253	14.2
447.21875	11.6
458.80643	12.8
494.63983	10.9
757.41614	79.4
757.88812	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	757.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21320	1.6
78.95763	28.8
93.19514	1.8
119.04893	2.5
152.99477	45.4
171.00499	5.8
195.13899	8.0
223.13263	5.2
227.03030	4.4
253.21747	24.3
259.62668	2.2
275.20139	9.7
280.84537	2.1
293.21204	46.4
301.25623	2.4
327.26868	11.3
345.24356	2.1
351.00937	1.9
371.25784	12.8
372.25998	2.6
385.23843	2.4
389.27020	3.0
429.20297	3.6
521.25214	100.0
530.43439	2.1
552.82300	2.1
757.46680	53.6
758.46783	4.0
768.79102	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	757.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74970	1.0
65.65784	1.0
69.65320	1.1
77.24184	1.2
86.53653	1.2
88.18453	1.1
88.96244	1.3
93.03329	1.6
106.04076	3.2
107.04880	15.1
119.04877	6.6
121.02816	11.6
121.07710	1.4
175.11192	1.9
189.06335	1.4
218.44307	1.3
220.69327	1.2
315.23434	2.5
315.26962	43.4
316.27042	1.3
326.77295	1.4
353.11499	1.4
353.24185	2.6
353.28537	42.4
354.28751	1.7
359.25894	38.7
397.27490	100.0
398.27783	2.4
413.98126	1.5
459.87271	1.6
650.95227	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	759.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85268	0.4
54.19563	0.4
57.90942	1.3
59.01254	1.0
68.29830	0.4
83.04885	0.7
93.03319	1.5
97.02807	0.5
97.36398	0.4
99.08009	2.5
109.94640	0.4
111.04375	2.7
121.06454	1.9
137.39664	0.4
151.00279	0.9
163.11195	0.8
163.60083	0.4
165.09137	0.5
177.12601	0.5
179.14333	40.9
205.12250	1.5
209.08177	0.7
214.83791	0.5
223.13359	1.5
233.13921	0.4
239.12749	0.7
243.03104	0.8
255.02989	1.2
267.12439	5.9
271.02515	3.3
283.11819	0.9
286.75992	0.5
300.02719	6.8
301.03568	3.6
311.11389	100.0
312.11652	0.6
320.01691	0.5
330.03674	1.1
349.36096	0.4
447.09384	9.6
668.50305	0.6
756.67853	0.6
784.36517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	1.0
58.44911	0.6
59.01239	2.0
61.37663	0.6
68.99671	3.0
71.20665	0.6
73.02788	1.0
81.03307	7.9
83.01249	6.2
85.02801	1.5
93.03310	3.7
95.01244	2.7
95.04902	5.4
97.02802	5.1
99.04377	2.9
102.84172	0.8
107.04896	1.5
109.02803	4.6
111.00720	0.8
111.04390	3.8
113.02312	2.8
119.04894	18.1
121.02823	4.7
121.06402	1.3
123.00742	1.3
123.04388	20.1
124.01540	0.9
125.02316	14.1
130.85208	0.7
133.06438	0.8
133.45674	0.8
133.46550	1.2
135.04396	6.3
137.02318	6.6
137.05951	7.4
138.03123	1.1
139.03900	8.8
147.04396	3.1
149.02350	2.7
149.06000	1.7
150.03120	2.3
151.03932	6.3
151.07585	0.8
152.04617	1.1
153.05521	1.0
155.03290	0.8
161.05992	0.8
163.03920	5.4
163.07579	1.5
164.04637	2.7
165.01884	3.8
165.05455	11.0
166.02602	4.6
167.03400	26.3
169.38765	0.8
173.06021	0.8
175.04028	1.0
177.01804	1.2
177.05446	1.9
178.02661	1.7
179.03430	10.7
179.07050	2.1
180.04179	4.0
181.04980	2.0
189.05559	4.6
189.07388	0.7
191.03436	4.0
191.07066	1.0
192.04199	2.0
193.05049	2.2
194.05791	1.3
197.04507	5.1
203.03360	1.0
205.05025	1.4
207.02982	6.5
207.06502	1.8
208.03683	1.6
209.04497	24.5
214.34892	0.7
219.02988	2.8
220.03596	2.2
221.04517	3.1
223.06186	1.1
229.08676	2.9
231.06548	1.1
233.04428	1.2
239.05579	12.0
240.29272	0.8
250.04704	0.9
251.05525	1.7
259.09653	0.9
263.02878	0.7
269.06693	3.0
271.09622	1.1
273.07587	1.4
285.07617	1.5
286.08652	0.9
299.08884	1.0
313.07278	1.1
315.08908	1.7
327.08807	1.4
345.09570	0.8
357.09842	1.9
387.10709	0.9
435.13165	5.2
447.12955	3.0
451.21994	1.0
461.14188	1.1
477.14148	15.4
489.13995	7.1
503.15601	1.8
507.15082	6.7
517.13763	1.0
519.15106	100.0
520.15216	2.6
531.15057	5.1
533.16779	1.3
549.16199	70.5
550.16534	2.4
561.16003	4.4
579.17310	21.5
591.17395	1.8
621.18280	11.9
639.19379	24.8
651.19250	7.2
669.20361	4.9
741.22272	3.4
759.23657	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	759.272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.4
59.01243	70.4
71.01240	61.6
72.99181	3.2
73.02816	2.0
83.01259	4.9
85.02802	10.9
87.00749	3.9
89.02295	100.0
95.01264	3.4
97.02857	3.6
101.01675	3.4
101.02297	28.5
101.02843	2.5
106.79938	2.0
109.02834	4.1
113.02308	26.7
119.03373	24.6
121.02845	6.8
122.03641	5.7
123.00792	2.7
125.02312	49.4
131.03387	5.5
137.02351	9.3
139.03937	5.5
143.03426	8.3
146.03619	9.8
149.04474	3.1
150.03091	2.8
151.03911	2.6
161.04482	10.5
161.05904	4.1
162.76395	2.1
163.03905	2.5
164.04695	9.7
165.01793	4.3
165.05508	3.6
167.03427	7.5
175.03975	2.8
177.01851	22.0
178.02599	2.9
179.05576	88.9
179.07118	19.0
180.04199	22.8
184.14053	2.1
191.07025	10.9
193.05099	4.8
195.06549	39.9
195.08147	2.8
219.06580	2.4
221.06714	7.4
229.04930	2.7
243.02873	2.7
255.03110	2.9
256.03793	2.3
275.09195	14.2
283.02682	2.6
297.04099	2.3
305.06610	22.0
306.07288	2.8
323.09830	41.2
327.70969	2.4
375.14532	12.4
423.07397	7.6
453.12170	5.3
505.14462	2.4
519.17206	8.1
537.19720	50.3
573.14227	6.1
591.89551	2.7
612.87329	2.2
622.39978	2.3
669.24335	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	759.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.4
59.01241	11.2
61.55800	1.1
71.01237	5.4
74.38612	1.4
89.02302	7.5
93.03329	1.9
101.02312	4.1
109.02821	13.7
113.02357	1.7
119.03387	2.5
121.02832	2.1
123.00783	2.4
123.04338	1.8
125.02316	22.5
131.45160	1.5
136.01555	6.2
137.02327	6.0
139.03879	2.3
146.03616	2.3
146.82504	1.5
147.04375	1.5
151.03882	13.1
158.03717	1.6
161.02380	1.9
161.05998	2.1
164.04605	1.3
165.01816	3.0
166.02629	1.7
167.03387	7.0
175.03841	6.5
176.04736	4.3
177.01851	18.5
177.05370	1.3
179.03442	1.3
179.05522	4.8
179.06982	2.2
189.05498	5.4
190.06248	4.3
191.07054	6.1
195.06573	1.9
219.03139	1.9
239.07040	1.9
243.02966	6.2
251.07108	1.5
255.03203	2.5
261.04166	2.0
263.32956	1.7
267.06665	33.4
279.06732	8.4
282.08978	39.0
294.09006	4.3
297.07751	3.6
297.11301	100.0
298.11588	3.2
303.05209	3.8
305.06790	5.3
309.11414	1.9
312.10043	11.5
323.42767	1.7
327.08438	1.8
327.12396	54.8
345.13501	15.4
357.13489	6.2
375.14514	89.9
376.14719	2.8
423.07269	2.2
537.19836	72.9
538.20520	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	759.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76607	0.7
59.01241	14.7
69.84270	0.7
80.69299	0.8
91.73300	1.3
101.14347	0.8
108.02041	1.8
109.02818	2.3
121.02811	3.6
122.03619	1.1
123.04389	2.0
134.03635	4.1
134.04495	1.0
135.04419	2.8
136.01530	8.6
137.02318	3.9
146.03592	1.0
147.04387	3.9
149.02388	1.6
149.05965	2.6
151.03903	8.9
158.03624	1.1
159.04437	6.1
160.05206	4.7
161.05962	5.2
162.03110	1.5
163.03888	3.0
172.05249	1.3
173.05995	4.1
174.06699	1.2
175.07556	3.3
177.05516	2.3
178.06291	1.5
179.03246	1.1
181.05043	1.0
186.02515	1.7
189.05502	4.4
190.06270	2.3
191.07068	2.1
214.06302	1.9
215.07114	2.3
227.07121	1.0
228.04291	2.0
239.07101	1.2
240.07941	1.1
241.05106	3.2
242.05824	2.0
243.06613	3.9
252.07918	1.0
253.08582	2.4
255.06683	3.3
256.07401	3.4
257.08188	5.0
258.05472	1.3
258.09000	2.4
265.08762	0.9
267.06635	1.4
268.07373	1.9
269.08212	1.8
270.09015	1.4
271.06146	1.2
271.09818	2.8
272.07190	1.0
272.10526	3.7
279.06506	1.6
280.07391	1.4
281.08203	4.3
282.08945	3.9
283.09787	2.3
284.10547	1.6
285.11234	1.2
290.07971	4.1
293.08194	2.5
294.08826	1.6
295.09705	6.0
296.10440	4.3
297.11215	2.4
298.08530	1.5
304.09521	5.3
308.10397	1.4
309.11197	1.8
310.12012	2.1
311.13016	2.8
313.10867	1.6
316.09702	1.3
319.09845	1.4
328.09451	3.6
328.13092	1.6
333.11313	3.6
335.12869	1.8
342.11267	2.3
349.14410	1.5
352.13007	1.3
417.13727	1.5
425.14517	1.2
429.13916	1.2
431.15005	2.4
445.16501	1.3
447.14517	1.4
461.16049	1.9
464.13840	1.0
469.16556	1.1
471.17850	2.4
487.17743	1.6
501.19409	2.8
503.21042	1.3
515.20947	2.3
521.18896	1.5
522.18707	2.0
561.21527	5.4
575.23254	2.0
593.21515	1.2
623.23346	1.7
639.25580	3.2
669.27045	16.8
695.71619	1.0
699.28168	13.7
729.29193	75.1
730.29553	2.5
741.29388	1.7
759.30292	100.0
760.30756	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	759.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97638	0.7
57.03315	1.0
59.01240	5.9
66.11869	1.1
66.97089	0.7
69.03323	0.7
71.00877	0.9
71.01241	10.7
71.49023	0.8
73.02808	9.1
75.90289	0.8
76.70882	0.8
83.01232	2.0
85.02797	5.3
86.11226	0.8
87.00715	2.3
89.02312	3.5
95.01273	1.5
95.33293	0.8
98.48810	0.9
99.00724	2.7
101.02314	10.9
109.68286	0.9
111.00748	2.6
113.02295	6.5
125.02338	5.1
125.05946	8.6
129.01788	2.7
131.03386	1.2
137.02348	1.1
141.01877	1.6
155.27873	1.0
159.02896	13.2
161.04459	6.3
177.01846	2.1
183.10185	100.0
183.17282	1.0
283.11942	5.9
305.06680	1.3
415.16125	48.8
535.22223	1.0
726.48865	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97638	0.7
57.03315	1.0
59.01240	5.9
66.11869	1.1
66.97089	0.7
69.03323	0.7
71.00877	0.9
71.01241	10.7
71.49023	0.8
73.02808	9.1
75.90289	0.8
76.70882	0.8
83.01232	2.0
85.02797	5.3
86.11226	0.8
87.00715	2.3
89.02312	3.5
95.01273	1.5
95.33293	0.8
98.48810	0.9
99.00724	2.7
101.02314	10.9
109.68286	0.9
111.00748	2.6
113.02295	6.5
125.02338	5.1
125.05946	8.6
129.01788	2.7
131.03386	1.2
137.02348	1.1
141.01877	1.6
155.27873	1.0
159.02896	13.2
161.04459	6.3
177.01846	2.1
183.10185	100.0
183.17282	1.0
283.11942	5.9
305.06680	1.3
415.16125	48.8
535.22223	1.0
726.48865	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	7.3
71.01238	4.1
76.75272	1.9
79.52540	2.6
81.03309	3.0
82.02833	8.0
85.54587	1.8
86.42344	2.1
87.57902	1.8
89.02287	2.2
99.07997	17.3
100.02930	2.4
101.02294	3.0
107.03685	2.0
111.04381	5.2
120.04486	2.5
123.04386	15.5
125.02329	3.1
135.04396	2.4
148.03917	27.3
149.04698	10.9
150.05490	37.2
155.03384	4.3
156.95248	2.5
160.03914	2.7
161.04736	14.7
162.05475	6.5
163.02641	4.8
164.03418	9.6
173.03471	6.3
173.04713	3.8
174.04253	32.5
174.05542	3.3
175.05019	13.1
175.06329	7.5
177.06543	2.0
183.04535	2.1
186.05539	3.7
187.06378	5.7
189.06601	9.8
190.07393	48.4
191.08151	4.3
200.07109	4.6
201.07819	6.1
202.07355	8.8
203.05930	2.6
203.08153	3.4
213.04315	2.3
213.10237	2.3
214.11090	3.9
215.08183	4.8
216.06636	3.7
217.07542	4.7
227.09402	2.9
228.06764	3.1
231.07765	7.4
232.08496	62.5
233.09229	16.6
242.08290	4.9
242.10504	2.7
243.07651	5.0
244.08513	10.6
244.10199	3.7
245.07028	4.4
245.09370	10.0
246.07625	3.7
255.03023	3.1
262.09598	4.5
268.08572	5.1
284.03311	5.2
286.09573	14.8
287.10571	2.6
289.09671	3.4
289.16437	3.0
304.10657	3.5
311.11365	26.1
352.46127	2.4
354.23685	2.3
399.20419	5.9
405.17694	6.8
415.65323	2.5
424.19824	4.7
449.15842	3.4
467.17035	7.6
468.17664	2.7
482.24200	23.0
494.23785	5.6
512.25543	3.6
518.23682	5.0
536.25061	16.5
537.23694	6.9
554.26190	100.0
645.31018	6.3
657.29419	3.2
699.31464	9.8
717.32623	63.5
718.32532	3.8
725.19751	3.4
761.32324	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	761.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03293	1.4
59.01233	4.4
65.89092	0.8
72.99187	1.1
81.03312	1.3
82.02831	9.9
83.01247	1.5
85.02798	1.0
93.03355	1.9
96.04388	2.2
96.95859	2.3
99.08002	12.5
108.04405	2.2
108.92409	1.0
110.05974	1.3
111.04366	2.6
112.03920	1.9
120.04418	2.9
123.04388	12.3
129.05415	1.3
136.03835	1.3
139.02678	1.2
146.05919	1.0
147.03131	2.2
148.02817	1.9
148.03934	26.1
149.04713	10.7
150.03087	1.4
150.05490	36.6
151.00291	1.6
154.05006	5.6
155.03377	3.2
160.03951	4.1
161.04695	17.2
162.05484	5.5
163.02654	5.4
164.03448	13.5
173.03348	7.1
173.04662	3.5
174.04239	40.9
174.05533	3.8
175.02617	1.7
175.05011	14.6
175.06331	9.7
176.05783	2.1
186.05550	3.7
187.06323	4.9
188.05672	1.5
188.07112	2.9
189.06598	12.4
189.10321	1.2
190.07399	56.5
191.05777	1.5
191.08200	6.4
200.07072	5.7
201.07837	7.0
202.03770	2.4
202.07367	5.7
202.09048	6.5
203.06020	2.0
203.08154	2.5
204.06604	1.5
207.05304	1.2
213.10255	2.1
214.11014	6.8
215.05923	1.3
215.08182	2.6
216.06671	2.9
217.07390	5.4
217.09792	4.1
227.03465	22.7
227.09476	1.9
228.06656	3.5
229.06033	1.6
231.07681	9.6
232.08498	73.4
233.09250	17.5
241.09828	2.8
242.08156	2.9
242.10571	3.3
243.07538	3.2
243.09296	1.8
243.11264	1.8
244.08600	17.7
244.34526	1.3
245.06914	1.8
245.09209	8.6
246.07729	3.4
255.02979	40.9
256.03598	4.5
257.04578	1.6
262.09525	4.1
263.10190	1.1
268.08569	4.9
271.08514	2.0
283.02524	1.3
284.03268	69.4
285.03946	10.3
285.08807	3.0
286.09619	17.1
287.10345	3.3
289.09531	3.2
303.09781	3.6
304.10693	4.6
305.11636	1.5
311.11368	16.7
312.11539	1.7
333.15668	1.9
337.10593	2.6
399.20474	6.3
424.19882	5.4
425.18225	1.3
449.10611	2.1
449.16086	3.0
467.17032	11.0
467.45148	1.3
468.17685	3.7
482.24066	22.6
493.24448	1.6
494.24307	5.5
495.22681	1.7
512.25336	3.7
518.24072	2.8
536.25116	17.3
537.23560	8.0
554.26208	100.0
555.26556	3.6
645.30481	4.8
657.29932	1.4
699.31543	9.8
717.32593	59.8
718.33185	2.6
725.19391	42.5
726.20862	5.7
726.31940	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	33.4
61.66874	1.9
61.98690	2.9
71.01231	19.8
73.02806	6.2
78.95766	4.9
85.02811	6.2
87.00745	2.9
89.02293	23.7
95.01294	2.1
96.95849	2.2
97.02805	4.1
99.00737	3.0
101.02306	19.8
107.23051	2.6
108.19956	2.4
113.02324	9.9
118.30862	2.4
119.03371	7.9
125.02316	6.0
143.03339	3.3
161.04485	3.3
179.05583	5.7
231.02548	2.7
235.08228	9.6
259.56305	2.5
287.07675	2.7
303.23285	100.0
304.23700	3.5
311.11072	3.2
374.71979	2.7
397.13538	79.9
398.14035	2.8
415.14636	34.7
431.39188	2.5
458.37683	3.3
640.74744	3.1
761.44092	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	761.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33107	0.2
62.48782	0.2
66.09806	0.2
86.54910	0.7
86.55462	0.5
92.02560	0.9
93.03340	0.3
95.32157	0.2
95.34727	0.2
98.66653	0.4
106.04096	3.1
107.04894	2.3
108.02032	0.3
118.85760	0.2
119.04893	16.2
121.02814	4.7
121.10736	0.2
125.52002	0.3
133.06459	4.5
137.02327	0.3
147.08064	0.5
148.78375	0.2
151.29727	0.2
153.69759	0.2
161.09639	1.2
172.50087	0.2
175.11192	1.6
189.12785	1.1
191.14355	0.5
197.76765	0.3
203.14320	1.1
205.16075	0.3
215.14185	0.3
217.16005	1.1
219.17328	0.2
229.16049	0.6
231.17494	1.5
239.14430	0.4
243.17519	0.6
245.19127	0.5
255.17288	0.4
257.19092	0.3
267.17615	0.5
281.19086	0.7
295.20682	0.3
309.22318	1.1
323.23801	4.1
325.25381	56.2
326.25748	2.2
369.24365	100.0
370.24652	4.5
761.47693	19.6
762.47986	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	761.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56546	0.6
54.04184	0.8
59.01235	4.5
65.44518	0.8
67.77382	1.2
70.70109	0.7
71.01240	2.5
71.23202	0.8
73.02780	1.6
80.96361	1.1
85.02812	1.4
89.02302	2.3
91.72707	1.6
101.02298	3.2
113.02304	2.5
122.96006	0.8
140.26711	0.8
161.04440	1.6
167.10695	8.4
186.73615	0.8
195.10240	3.0
201.47340	0.9
203.18068	1.0
231.85580	0.9
235.08226	6.8
247.17007	5.0
253.09274	10.1
265.18091	54.1
266.18405	0.9
277.21725	100.0
278.22116	3.1
299.23785	1.4
343.22897	1.1
400.22375	0.9
438.43631	0.9
701.00470	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72079	0.8
57.98020	0.9
59.01246	6.2
60.29336	0.8
67.46378	1.2
71.01262	3.1
73.05875	0.8
89.02332	3.7
91.72713	0.9
101.02349	3.1
111.45081	1.0
113.02307	2.1
141.54585	0.9
195.13821	8.8
223.13388	6.0
231.17619	1.3
235.08325	2.4
249.18604	96.4
250.19038	1.4
253.09320	17.1
256.13168	2.2
275.20215	14.2
277.21808	2.1
293.21243	100.0
294.21585	2.1
317.24866	1.2
355.23044	1.2
485.27051	1.5
558.73822	1.0
761.41504	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.5
61.97528	1.3
61.98693	100.0
62.00042	1.6
72.73531	0.1
88.42675	0.1
107.61808	0.1
122.03609	0.4
144.14639	0.1
146.03630	0.9
147.03992	0.5
161.06010	0.3
162.06328	0.2
164.04657	0.7
165.05107	0.3
176.04709	0.6
177.05099	0.3
177.74905	0.2
179.07043	2.5
179.08409	0.2
180.04219	0.2
180.07401	1.3
181.07603	0.4
183.61453	0.1
191.07094	0.7
192.07532	0.4
195.06593	1.0
196.06926	0.6
197.07176	0.2
207.06685	0.2
324.57098	0.2
375.14517	1.4
376.14880	1.9
377.15152	1.4
378.15445	0.6
464.49792	0.1
465.71701	0.2
478.93616	0.2
539.20465	0.3
682.56128	0.2
712.09070	0.2
726.85822	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	763.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32195	0.2
59.01242	0.6
62.74391	0.3
64.21715	0.4
71.01241	0.5
78.93658	0.7
78.95760	55.4
78.97644	0.9
79.95595	0.4
87.00724	0.4
89.02304	0.9
94.42034	0.3
96.95892	25.1
96.96818	100.0
96.99374	1.4
100.20039	0.3
101.02289	1.4
113.02318	0.6
117.97211	0.4
119.03354	0.4
121.92309	0.4
150.45425	0.3
150.97899	0.4
160.97575	0.4
179.05455	0.9
187.01781	0.3
230.98039	0.5
237.69632	0.3
241.00989	0.6
259.02301	3.2
341.10709	0.6
383.12256	1.5
421.07855	1.5
443.14081	0.6
449.80634	0.3
601.13617	0.7
665.21625	4.4
763.06409	0.5
763.19263	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	765.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50196	0.2
55.89014	0.4
57.16860	0.2
59.73240	0.3
69.03297	1.4
72.99164	7.6
78.03803	0.3
80.25952	0.3
81.03305	0.3
83.38846	0.3
85.02802	0.3
97.02818	1.9
101.05933	0.8
106.04098	0.9
107.04862	0.5
109.06450	3.4
113.02301	3.6
121.02827	4.5
125.02311	9.8
134.03592	0.3
135.04375	1.0
135.11661	0.5
136.05165	0.8
141.01782	1.4
143.03334	0.3
147.04417	0.3
149.09567	0.4
151.73087	0.3
153.01758	0.3
163.05513	0.9
163.11182	100.0
164.11555	2.1
165.12747	4.4
175.11191	1.1
177.09070	0.7
188.04723	0.3
191.03360	0.4
191.10774	0.8
193.12273	7.4
195.10204	0.6
201.09219	0.3
202.06297	0.4
205.15271	0.3
207.10220	2.0
209.11790	0.5
219.10214	0.8
231.13762	0.7
237.11304	3.5
241.12303	0.4
251.09241	15.4
259.13470	1.4
277.14359	0.7
281.10342	0.4
303.12491	0.3
314.05765	0.3
321.13394	0.9
325.09293	20.3
326.09644	0.8
365.12543	0.9
383.13498	13.9
384.13773	0.4
395.13818	0.4
411.13068	1.3
439.12463	6.0
490.96896	0.3
663.00031	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89006	0.3
72.99161	3.1
86.20880	0.2
99.07993	0.4
101.05933	0.6
106.04099	1.3
107.04878	0.7
109.06453	3.6
112.13161	0.2
113.02253	0.4
119.08490	0.3
121.02827	4.3
125.02292	0.4
134.03615	0.4
135.04405	0.9
135.11676	0.5
136.05170	1.0
143.03362	0.3
148.30299	0.2
157.63103	0.2
162.03236	0.3
163.06027	0.9
163.11182	100.0
163.17108	0.9
164.11482	2.2
165.09032	0.4
165.12755	3.5
175.11224	1.0
191.10718	0.5
193.12265	8.0
197.86684	0.2
207.10191	2.2
209.11812	0.6
219.10223	1.0
237.11284	4.6
251.09250	13.9
252.09569	0.4
281.10217	0.3
306.06091	0.3
321.13489	0.4
325.09302	20.9
326.09610	0.5
383.13611	1.6
411.13419	0.4
412.26746	0.2
439.12665	1.4
451.18521	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92587	3.5
61.98700	5.4
79.95543	4.4
91.73288	6.6
101.33788	4.1
123.04423	16.6
161.06046	4.8
172.05261	5.7
173.06013	5.5
200.04771	10.6
202.02708	8.3
202.06694	5.7
202.10062	6.3
203.10803	5.4
215.10858	8.1
217.08827	17.0
217.12289	12.5
223.07767	6.6
231.10365	21.2
236.06827	7.2
241.05035	12.3
243.10248	44.5
245.08160	37.4
245.11784	33.6
246.09155	7.4
251.07091	6.3
259.09723	31.3
261.11282	82.5
261.13574	6.7
277.21869	6.0
278.05997	6.6
279.06705	7.9
291.06683	8.9
292.07547	8.8
293.08362	5.4
295.09760	7.7
305.08163	5.3
307.06323	10.5
307.09924	8.9
308.10788	6.3
315.06625	7.5
319.06445	5.8
333.07709	5.7
335.09323	9.9
354.61539	5.9
361.14716	6.4
389.14188	17.9
391.11981	11.6
392.12656	15.6
401.14114	12.5
403.12601	7.7
405.13419	13.0
407.87784	6.2
417.13736	6.2
445.20096	6.4
446.21274	8.5
471.18768	6.9
473.20114	6.5
489.19397	14.3
491.20810	37.5
501.19366	19.2
503.20746	100.0
519.20367	15.1
520.21399	8.3
645.25232	9.9
703.33032	6.0
729.30615	28.0
735.31781	31.6
747.31805	66.6
765.32971	65.5
766.32458	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	767.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45585	1.5
56.35649	0.6
57.50791	0.5
59.01240	3.1
61.98684	2.1
66.69415	0.6
70.18114	0.5
72.32533	0.6
76.68089	0.6
79.05169	0.8
93.03342	0.8
97.15359	0.8
108.02029	1.5
108.22826	0.7
109.02811	3.1
121.02824	6.1
122.03602	3.4
123.00726	0.9
123.04412	1.2
134.03613	1.4
134.56993	0.7
135.04376	0.7
136.01543	87.9
137.02335	3.1
151.03897	100.0
152.04239	0.8
159.04405	1.5
160.05203	2.3
161.06032	0.9
162.03084	1.9
163.03886	0.7
175.03864	1.5
175.07477	0.7
177.05470	1.6
179.03374	0.8
189.05431	1.0
190.06340	0.7
193.04848	0.8
197.82784	0.6
201.72342	0.6
243.58685	0.8
245.11696	1.0
267.13995	1.0
327.12457	4.3
342.11105	4.9
343.11926	1.0
357.13467	81.0
358.13715	1.9
364.17065	1.0
370.18182	0.9
376.16644	1.1
379.19119	2.9
385.20111	0.9
391.19009	1.7
394.17828	0.9
409.15024	1.2
409.20209	19.3
412.92593	0.7
569.29077	0.7
790.21289	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45587	1.7
57.85719	0.7
59.01241	2.0
59.52761	0.6
61.98694	2.4
79.40581	0.6
91.72708	0.7
107.18123	0.7
108.02034	1.7
109.02812	2.6
110.47321	0.7
121.02808	4.0
122.03628	3.4
123.00784	0.7
134.03647	0.9
135.97481	1.4
136.01535	90.8
137.02301	3.0
140.46770	0.7
146.21799	0.7
150.03131	0.7
150.99159	1.4
151.03896	100.0
159.04367	1.2
160.05209	2.3
162.03172	1.4
163.03844	1.3
175.03857	0.8
175.07570	1.3
177.05605	1.4
179.03432	1.2
189.05495	1.2
262.07620	0.7
311.12875	1.1
312.09885	0.9
327.12408	4.6
342.11108	7.3
357.13452	90.4
358.13852	1.6
363.53699	0.9
379.19162	2.3
391.19153	1.6
409.20190	14.7
460.33908	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	6.1
59.01238	2.3
68.31046	2.0
70.81480	1.5
72.62785	1.7
82.32494	1.6
83.01236	11.5
83.47540	1.5
83.76237	1.9
91.73417	3.3
96.95869	4.0
97.06863	1.8
117.20192	2.0
119.04825	1.8
119.05630	1.9
154.99754	100.0
200.13892	2.6
231.33360	1.9
257.76761	1.9
272.23837	1.8
368.23193	2.8
438.26105	2.0
577.37152	11.5
611.36017	8.1
705.55029	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	767.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	6.1
59.01238	2.3
68.31046	2.0
70.81480	1.5
72.62785	1.7
82.32494	1.6
83.01236	11.5
83.47540	1.5
83.76237	1.9
91.73417	3.3
96.95869	4.0
97.06863	1.8
117.20192	2.0
119.04825	1.8
119.05630	1.9
154.99754	100.0
200.13892	2.6
231.33360	1.9
257.76761	1.9
272.23837	1.8
368.23193	2.8
438.26105	2.0
577.37152	11.5
611.36017	8.1
705.55029	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	769.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04071	0.3
59.01256	0.3
63.02261	0.8
65.00193	1.0
70.47588	0.3
71.12551	0.4
72.83558	0.3
76.59733	0.6
83.01254	1.2
101.03847	0.3
106.28172	0.2
107.01244	2.7
107.48180	0.3
110.13938	0.3
113.02336	0.3
113.44620	0.3
115.05350	0.3
117.03330	2.4
119.04898	2.7
121.99924	0.4
133.06483	0.4
135.00700	0.3
143.04921	0.4
145.02834	11.0
147.00775	0.6
151.00259	10.5
152.01062	1.2
155.04898	0.8
157.02831	0.6
159.04416	0.9
161.05942	0.7
163.00287	0.7
163.03903	2.7
164.01059	0.5
167.04993	0.5
169.01321	0.8
169.02731	0.4
171.04375	1.4
175.03998	0.5
178.99748	1.7
183.04430	3.0
185.02376	0.8
187.03943	1.5
189.01744	0.4
192.00606	0.5
198.03047	0.3
199.03925	8.6
201.01857	1.2
203.03436	1.2
205.04979	0.8
211.03979	1.3
213.01958	0.4
215.03456	4.1
216.04214	0.4
226.02664	0.8
227.03459	9.4
228.04128	0.4
229.01401	0.5
242.02185	5.5
243.02965	35.6
244.03563	1.1
254.02080	0.5
255.02969	17.7
256.03656	0.8
257.04578	3.9
259.06134	0.3
270.01709	4.8
271.02487	51.1
272.03116	2.8
280.03568	0.4
283.02402	0.3
284.03268	0.5
285.04068	9.7
286.04819	3.8
287.05722	1.6
299.01968	100.0
300.02713	21.0
301.03314	0.6
311.05679	0.5
313.03540	4.3
314.04337	82.7
315.05081	28.0
316.05701	0.6
339.05096	0.6
357.06155	0.5
415.10220	0.4
443.09677	2.1
453.14001	0.4
495.38998	0.4
605.15216	1.0
623.16180	33.7
624.16766	1.1
660.95111	0.4
769.19891	62.5
770.20129	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	769.199
Annotation	Isorhamnetin 3-(6'''-p-coumaroylglucosyl)-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
59.01245	0.5
63.02245	1.3
65.00180	1.3
71.12561	0.7
76.59721	0.9
76.60094	0.6
79.20021	0.4
83.01260	1.1
87.39812	0.5
107.01243	2.8
108.93442	0.5
113.02340	0.7
116.91480	0.6
117.03339	3.2
119.04897	3.1
135.00798	0.6
145.02837	12.9
151.00269	10.1
152.01077	1.1
154.75002	0.5
155.04962	0.9
159.04440	0.9
160.01422	0.6
161.06018	0.8
163.03914	2.4
164.01035	0.5
169.01424	1.0
169.02763	0.6
171.04375	1.3
175.03906	0.9
178.99786	2.1
183.04411	2.3
187.03931	1.3
199.03941	11.6
201.01888	1.5
203.03401	1.5
205.05081	0.7
211.03993	1.4
213.01906	0.6
215.03499	4.6
227.03447	10.5
228.04276	0.6
231.02765	0.5
242.02176	5.7
243.02974	37.8
244.03578	1.2
254.02155	0.9
255.02971	21.6
256.03696	0.9
257.04584	4.2
259.06049	0.9
270.01746	6.1
271.02493	52.6
272.03052	3.1
273.20743	2.2
284.03256	4.0
285.04050	11.0
286.04794	4.7
287.05536	1.0
298.01181	0.6
299.01981	100.0
300.02707	21.8
301.25439	3.2
313.03531	5.1
313.06873	0.8
314.04352	83.9
315.05121	28.2
325.69940	0.6
345.24564	3.1
367.14066	1.0
443.10034	1.9
510.70645	0.6
593.15344	0.9
605.15234	1.1
623.16193	36.1
624.16107	1.2
769.19922	69.8
770.19495	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	769.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	9.4
59.01243	29.3
61.62173	3.3
69.03325	4.7
69.64994	3.0
71.01231	11.0
73.02810	12.5
81.03318	5.6
83.01247	6.6
85.02804	35.8
85.06435	17.0
85.68630	3.5
87.00729	77.3
93.03281	5.5
94.91238	3.6
95.01253	12.7
97.02802	6.6
99.04369	3.8
103.03859	11.2
109.02769	19.3
111.00764	4.6
113.02317	16.5
113.05959	18.3
115.00221	12.4
115.03869	47.2
121.02795	4.5
123.04380	15.5
125.02309	92.2
127.03914	8.9
137.02344	29.2
139.00240	13.5
139.03877	5.8
149.02330	16.4
151.03882	16.5
157.01321	8.1
164.00900	4.6
165.01790	7.3
167.03368	3.7
175.02377	30.2
175.03969	14.3
175.06032	66.9
175.07472	7.2
177.01848	91.5
179.03487	9.2
187.03958	10.4
199.02377	19.6
203.06992	9.6
205.04958	9.7
217.38918	5.3
234.36658	4.2
245.08200	15.5
255.03009	9.9
256.03790	9.7
273.04089	10.4
289.07178	57.9
303.07275	13.6
311.46771	4.4
339.08685	6.5
345.08252	5.9
372.51181	4.5
387.09341	7.6
407.07755	71.9
425.08786	100.0
467.09891	11.3
483.87668	4.8
593.12811	52.8
677.85944	5.5
709.17834	5.9
751.18622	9.2
769.20227	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	769.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.9
57.03318	6.9
57.05405	0.9
59.01244	25.7
65.03802	0.9
67.01745	2.0
68.06525	0.9
68.99661	2.6
69.03307	10.0
71.01240	20.2
72.99159	4.4
73.02803	16.6
73.03595	1.0
81.03311	3.2
83.01243	8.0
83.04887	3.9
85.00724	1.0
85.02805	73.3
87.00731	100.0
93.03315	2.0
95.01237	14.0
96.95892	1.2
97.02809	33.0
99.00739	3.8
99.04401	3.6
101.02291	2.6
103.03868	11.3
103.13497	1.2
109.02831	5.5
111.00717	6.0
111.04400	1.1
112.01544	2.1
113.02305	40.4
115.00236	14.2
115.03890	3.3
123.04330	1.5
125.02306	8.2
127.03871	11.1
129.01816	2.6
137.02325	3.1
139.00293	8.0
139.03856	1.1
145.04980	3.8
155.03394	6.2
157.01326	10.8
161.02501	1.3
167.03464	1.8
169.05026	2.3
173.04477	7.7
175.02391	51.4
177.01840	1.7
185.81696	1.3
199.02431	16.8
217.03494	24.9
218.97694	1.2
219.06589	1.1
292.22424	1.2
303.07236	14.4
305.06686	2.4
306.07535	2.3
321.08292	8.4
383.13950	1.4
387.09277	5.0
473.11298	1.5
521.11383	3.2
551.16138	2.5
563.12646	7.0
596.65112	1.3
667.17389	6.0
709.18439	73.4
710.18164	2.4
727.19305	2.2
769.20331	7.4
790.80609	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2197
Annotation	Isorhamnetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)glucoside
Peak:m/z	Relative Intensity
56.27446	0.2
59.01241	0.5
63.02262	0.8
63.41970	0.3
65.00182	0.9
67.91913	0.3
73.94213	0.3
76.59720	0.5
83.01257	0.5
87.25325	0.3
89.72180	0.3
96.87148	0.3
101.03822	0.7
107.01236	2.1
113.44718	0.3
119.01252	0.3
124.01553	0.3
133.24548	0.3
139.05363	0.4
143.04884	0.4
145.02843	0.9
147.00743	0.5
151.00240	9.5
152.01031	1.1
153.53368	0.3
155.04915	0.7
157.02831	0.5
159.04381	0.5
161.02361	0.4
163.00298	0.9
167.04929	0.5
169.01334	0.7
169.02794	0.6
171.04379	0.8
175.03906	0.5
178.99773	2.7
179.98557	0.3
182.03642	0.3
182.94133	0.3
183.04465	2.7
185.02338	0.7
187.03922	1.3
199.03943	9.6
199.99588	0.4
201.01849	1.0
203.03439	1.0
211.03998	0.7
213.01869	0.4
215.03438	4.2
225.01811	0.4
225.79509	0.3
227.03462	8.5
229.01440	0.6
242.02173	6.4
243.02962	38.2
244.03436	0.9
247.06168	0.4
255.02965	15.2
256.03577	0.5
257.04544	5.5
262.66766	0.3
270.01721	6.1
271.02487	48.6
272.02844	1.6
284.03336	0.5
285.04037	11.1
286.04773	3.8
287.05542	1.0
298.01532	0.5
299.01968	100.0
300.02640	12.7
301.03159	0.4
313.03625	2.9
314.04333	93.6
315.05051	17.5
316.05521	0.8
339.05142	0.8
356.05505	0.5
357.06104	0.9
605.15033	0.8
623.17090	0.6
668.13519	0.4
769.22015	81.5
770.22192	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	769.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17576	1.1
59.01248	2.7
60.95407	1.1
61.98698	1.5
91.73380	1.4
97.66128	1.3
109.02799	2.4
121.02846	6.5
122.03660	2.4
122.04507	1.3
123.04382	2.1
125.23100	1.2
125.41252	1.2
147.04381	1.8
149.02330	1.9
150.03076	5.9
153.05501	1.4
154.99315	1.2
158.03661	3.2
159.04413	9.9
160.05197	41.3
161.05975	11.1
163.03899	4.6
164.04686	3.0
173.05991	4.4
175.07567	30.8
176.04834	2.0
177.05469	8.2
178.06229	12.8
179.07086	1.3
192.07852	2.0
193.08669	3.7
329.13965	100.0
330.14432	2.4
364.16879	1.8
365.17569	2.2
376.16556	1.7
379.19452	2.7
391.19485	1.9
409.20242	26.6
652.72028	1.6
733.13800	1.9
739.33813	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	769.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68309	1.3
62.89893	1.3
79.04587	1.5
79.21584	1.5
109.02835	4.0
116.82941	1.9
121.02848	2.8
122.03621	2.2
147.04343	2.4
149.02309	3.6
150.03160	3.6
154.63165	1.8
158.03650	3.1
159.04440	11.9
160.05196	35.5
161.06007	11.8
162.03110	6.6
163.03867	5.3
164.04713	4.1
173.05995	4.9
175.07555	31.2
177.05522	10.1
178.06221	14.9
192.07884	3.7
193.08673	4.3
193.22441	1.7
329.13965	100.0
379.18771	2.9
382.29309	2.1
391.19196	2.0
409.20276	30.7
427.84232	1.8
736.01019	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	769.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89308	0.7
65.37725	0.8
66.03327	1.0
67.31435	0.6
68.71614	0.5
80.04914	1.2
82.56686	0.6
84.08032	0.8
85.02732	0.6
85.03920	4.8
87.05489	7.8
87.27577	0.6
91.07305	0.7
93.89576	0.8
94.06468	0.8
94.07882	0.6
96.03151	1.0
97.03925	1.9
98.02304	1.2
111.01862	1.2
113.03421	5.2
115.08635	8.5
122.04739	1.3
122.73503	0.6
125.07083	1.0
126.05450	0.7
129.10226	6.1
130.08598	1.2
131.39958	0.7
139.05019	0.8
139.08636	3.8
140.07072	7.8
141.06592	1.9
141.10168	0.8
143.08159	1.0
145.02812	1.2
148.49492	1.5
148.50697	1.7
153.10182	2.2
155.08162	4.0
155.11792	5.5
165.10246	9.2
166.07304	0.8
166.08543	0.9
167.08148	7.0
169.09741	1.1
181.09764	2.8
182.12885	9.0
183.11343	3.5
183.14929	1.3
184.10835	6.2
193.13425	1.6
194.11777	1.7
197.16508	7.4
200.13963	15.3
207.14983	2.0
208.10783	0.7
210.16048	1.0
211.14647	3.2
223.14383	2.0
225.16136	1.2
226.11916	3.0
228.17125	3.7
232.00339	0.7
236.17615	1.5
237.05424	0.7
238.15646	0.9
242.18687	2.7
252.17198	1.0
252.20744	2.3
264.17221	0.8
268.20337	7.9
278.18927	0.9
280.16739	0.9
281.19803	13.5
295.21454	2.4
297.19211	1.8
299.20868	8.3
309.19250	1.4
313.22464	1.6
325.18881	3.6
325.22339	0.9
327.20346	1.6
349.25876	1.6
350.21909	3.6
367.27048	2.3
368.23050	36.5
381.28625	2.2
382.24579	1.0
407.26550	3.4
410.27493	1.4
436.29556	1.8
453.22467	1.8
462.61331	0.8
490.33865	1.7
533.38654	1.9
565.36963	2.1
577.37225	100.0
578.37079	4.9
611.36011	85.5
612.36279	3.9
706.88458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19400	0.4
61.57458	0.1
62.96274	0.2
63.61594	0.1
66.85310	0.1
75.35259	0.1
78.93887	0.7
78.95758	39.0
79.95678	0.2
84.43547	0.1
96.96815	5.3
105.84977	0.2
106.04082	0.3
119.04878	0.3
121.02791	0.8
138.52242	0.1
150.97908	1.6
152.94623	1.2
152.99471	100.0
153.99797	0.4
164.06783	0.2
169.36136	0.1
171.00540	3.8
246.35535	0.2
257.23157	0.2
261.22272	0.7
273.22147	0.7
276.80606	0.2
279.23285	1.3
289.21750	6.7
291.23315	13.3
292.23700	0.4
335.22302	18.9
336.22641	0.6
373.16608	0.2
433.23618	39.7
434.23779	1.5
595.25897	0.2
688.48315	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	769.5396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82338	1.3
54.08460	1.3
62.80803	1.3
63.99701	2.1
65.48457	1.5
67.62660	1.4
69.65222	1.6
79.57056	1.4
91.72743	2.6
106.04121	2.8
117.66529	1.5
118.09304	1.6
119.04893	6.0
121.02822	4.1
133.06479	1.7
162.67525	1.8
189.12859	2.1
237.13466	1.7
297.75095	1.7
329.28525	100.0
330.28778	4.9
373.27493	64.2
374.27487	2.7
769.54144	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	769.539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44049	0.2
61.39906	0.3
63.06247	0.3
73.13655	0.3
85.20818	0.3
87.55972	0.9
87.56535	0.6
90.78848	0.3
91.73467	0.4
92.02528	0.9
106.04108	2.1
107.04886	0.6
109.71609	0.3
119.04892	6.1
120.34962	0.4
121.02828	4.5
123.93018	0.3
124.80807	0.3
133.06461	1.2
137.02286	0.3
161.09595	0.7
175.11198	1.1
189.12741	1.6
203.14360	1.1
217.15948	0.4
231.17458	0.7
292.62692	0.5
327.32324	0.3
329.28510	100.0
330.28802	2.6
373.27490	62.8
374.28006	1.7
426.10236	0.3
769.53986	23.6
770.54407	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	771.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55230	3.7
59.01245	6.0
60.94606	3.3
63.02239	6.6
65.00185	10.1
78.68933	3.4
79.15630	3.6
83.01241	9.7
91.73385	4.3
93.03327	5.8
107.01259	26.5
117.03304	8.9
117.62936	3.8
133.02834	11.2
145.02838	16.2
149.99310	4.2
151.00259	96.5
159.04410	8.7
163.03807	5.7
169.01338	11.9
171.04488	6.8
177.01840	45.6
178.99768	100.0
183.04510	7.3
184.40364	4.3
185.02234	4.2
187.03764	5.1
195.49594	4.6
196.53201	4.2
201.01944	4.8
203.59219	4.1
209.00911	7.3
227.03488	51.7
229.04935	5.9
231.03041	6.2
242.02312	5.1
243.02858	8.2
255.02983	89.1
256.03494	14.6
271.02554	29.8
283.02490	18.4
284.03256	85.2
285.03955	30.2
286.04449	7.0
287.01996	6.8
287.90613	5.2
299.02078	46.8
300.02570	8.7
316.02408	28.0
317.02988	6.5
445.06586	5.3
593.15118	42.3
594.15509	6.1
625.13898	8.8
739.19440	7.8
771.17926	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	7.0
62.50631	2.6
62.59572	2.1
63.02245	6.4
63.83478	2.5
64.58813	2.4
65.00193	14.5
68.55754	2.5
71.26583	2.4
73.81148	2.6
77.75167	2.5
78.95806	3.0
83.01235	8.4
93.03302	6.7
105.27761	2.8
107.01251	23.2
116.87458	3.0
117.03325	4.9
119.04852	3.6
130.46704	2.9
131.28737	2.8
133.02795	10.0
134.94884	3.3
137.02312	5.8
139.00203	5.1
145.02809	11.7
149.02367	5.6
151.00258	85.8
163.00327	5.9
163.03915	3.9
169.01338	10.7
171.04352	5.4
176.01065	3.0
177.01816	36.7
177.99123	3.3
178.99780	100.0
183.04451	4.0
185.02292	3.9
187.03981	5.2
199.03931	5.8
203.03499	4.4
211.03952	4.6
227.03452	34.9
228.03735	4.9
231.02928	4.6
243.02933	7.8
255.02960	75.0
256.03607	7.6
270.01694	4.3
271.02490	25.4
273.03970	4.5
283.02560	6.5
284.03290	67.8
285.03934	29.2
286.04111	7.3
287.02026	7.7
299.01981	47.3
300.02783	8.3
316.02216	25.5
317.03192	5.7
575.14221	5.1
593.15277	40.3
594.15668	9.5
625.14093	8.6
659.16327	7.7
739.18793	3.7
753.16565	5.7
771.18304	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.178
Annotation	Unknow
Peak:m/z	Relative Intensity
60.26787	0.4
61.05143	0.3
61.95192	0.4
63.02258	0.5
65.00212	0.6
70.07253	0.3
73.05605	1.0
73.05967	0.7
73.68591	0.4
75.24844	0.6
75.89079	0.4
83.01254	0.4
85.71165	0.4
107.01251	2.0
107.95248	0.4
109.02809	0.7
113.05615	0.4
117.48038	0.4
119.04896	0.6
124.01549	2.5
135.00771	0.4
136.01575	0.5
137.02357	2.1
145.02708	0.5
151.00255	7.4
152.01042	1.6
158.60338	0.4
159.04185	0.4
161.06038	0.4
163.00238	1.1
164.01028	2.5
169.01338	0.4
175.03882	0.5
178.99765	9.9
180.00414	0.5
187.03961	0.5
193.01271	0.5
203.03415	1.4
204.04214	1.0
213.01906	0.4
214.02661	7.0
215.03398	1.2
227.03403	1.4
231.02870	0.6
232.03810	0.5
241.01471	0.5
242.02170	6.7
243.02982	3.7
259.02475	8.1
260.02930	0.6
270.01700	6.6
271.02496	43.5
272.02740	2.1
283.04840	0.5
287.01981	27.6
288.02591	3.4
315.01471	2.9
316.02240	100.0
317.02884	9.9
329.54077	0.4
432.44876	0.5
607.13318	0.5
625.14172	19.7
771.17798	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99718	0.7
57.03329	5.9
69.03328	1.1
80.91257	0.9
81.03337	2.8
83.01248	4.6
84.67422	0.7
93.03355	3.0
94.56075	0.8
95.04919	1.6
97.02826	2.2
100.90288	0.9
103.73655	0.9
105.03352	0.9
107.04903	1.4
108.02044	2.2
109.02829	9.1
111.04416	3.6
121.02830	5.0
123.00797	3.5
123.04395	5.6
124.01559	4.9
124.98709	1.2
125.02315	75.0
131.04837	0.9
133.02908	1.5
134.03671	3.8
135.04440	2.8
137.02322	39.8
138.03123	1.1
139.03900	12.3
146.03752	0.8
147.04459	1.3
149.02345	9.2
149.06006	3.2
151.03889	6.8
151.06195	0.9
159.04350	1.3
161.02402	4.0
163.04018	3.0
164.01053	5.3
165.01836	14.8
165.05475	1.0
166.02647	1.1
167.03413	14.8
167.04768	1.2
173.06062	1.8
175.03998	4.0
176.01102	1.2
176.04787	1.0
177.01849	73.0
177.05333	4.7
178.02489	1.9
179.03413	14.9
187.03967	2.9
189.01910	2.8
189.05556	1.1
191.03477	2.5
191.07104	2.1
199.04022	1.2
201.05553	2.4
203.03532	2.8
203.07120	1.0
204.04306	2.4
204.07968	2.3
205.01419	2.2
213.05565	1.7
215.03461	1.1
217.05130	1.2
219.06595	10.9
221.04449	5.8
227.03403	1.5
229.05000	1.4
241.05013	1.7
243.03098	3.8
255.03032	4.0
256.03793	2.0
261.07828	3.9
267.03036	4.8
268.03848	1.1
269.04636	3.3
281.04666	2.9
283.02457	2.4
285.03934	1.7
287.09277	18.2
295.02478	2.4
297.04184	2.4
305.06686	100.0
306.07166	2.7
309.04056	1.4
311.05676	1.1
315.05096	2.0
343.04684	1.4
345.06412	1.8
346.95285	1.0
423.07288	4.5
435.06393	6.8
459.11374	1.3
465.11908	5.7
483.09241	6.9
574.66833	1.0
585.14087	24.5
603.15137	7.4
771.19177	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	5.7
64.79939	1.4
69.03317	2.1
81.03298	2.7
83.01245	5.5
93.03307	4.8
95.01177	1.6
96.95855	5.6
97.70193	1.5
108.02005	3.0
109.02808	9.7
109.71729	1.5
111.04398	3.8
112.56850	1.5
121.02811	5.7
123.00759	2.5
123.04398	4.4
124.01544	6.7
125.02315	79.4
128.49260	1.6
134.03644	4.7
135.04359	2.1
137.02327	41.7
138.03085	3.6
139.03894	14.0
149.02306	9.6
149.06003	3.9
151.00275	1.8
151.03885	6.7
159.04387	2.2
161.02321	3.0
162.03194	2.3
163.03874	3.0
164.01042	6.3
165.01845	14.6
167.03421	16.1
173.05850	2.5
175.03995	4.1
177.01848	86.8
177.05455	3.8
178.02428	3.8
179.03439	11.4
187.04001	2.4
189.01863	2.3
191.03430	2.1
199.03944	2.4
201.05582	2.5
203.03528	5.0
204.04208	3.4
219.06564	11.9
221.04576	5.5
229.05060	2.0
231.06458	1.7
241.05089	2.0
243.03050	3.2
249.68893	1.7
255.02983	4.4
261.03796	2.0
261.07663	3.2
267.02997	4.9
269.04517	2.3
281.04596	2.5
283.02393	1.9
285.04016	2.1
287.09235	22.6
297.04150	2.8
305.06686	100.0
315.05121	3.1
323.05743	2.2
435.07135	6.2
465.12140	7.9
483.09561	8.0
585.14014	21.5
603.15106	8.6
756.65735	1.9
771.19324	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	771.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.5
65.00163	1.8
66.40074	0.8
69.29130	0.8
71.01251	0.9
74.18465	0.9
74.18871	0.9
83.01234	1.0
91.72765	1.1
95.01218	1.5
105.69477	1.0
107.01232	4.0
108.01981	1.0
109.02805	2.0
109.99945	12.8
111.00729	4.6
123.00730	3.7
124.01534	2.6
125.02266	1.4
136.01555	1.3
136.98685	2.2
137.99457	6.3
139.00237	12.3
139.03891	1.1
143.04686	1.4
146.03604	1.4
148.01535	1.5
149.02298	2.2
151.00240	18.7
152.01068	7.1
153.28343	1.1
159.04355	1.5
161.02286	2.2
163.00270	2.3
164.00955	2.8
165.98970	14.6
166.99739	4.2
171.04359	2.7
174.03127	2.6
175.03917	2.5
176.01053	1.2
178.99776	18.2
183.04489	1.2
185.02399	1.0
186.03181	1.8
187.03888	2.8
188.04668	1.3
189.01825	2.2
193.94743	1.2
193.98528	1.8
194.99365	2.3
198.03119	2.1
199.03914	6.6
201.01868	5.0
203.03391	3.6
213.01837	1.6
214.02618	5.2
215.03404	4.1
216.04185	2.8
219.03056	1.2
225.72403	1.1
226.02620	2.8
227.03409	8.6
229.01395	1.7
230.02058	1.1
231.02895	4.4
241.01469	2.3
242.02095	7.7
243.02962	15.8
244.03606	4.1
245.00763	1.7
255.02953	8.5
257.01010	1.6
259.02502	6.3
260.03220	2.5
270.01700	11.6
271.02481	74.2
272.03162	8.7
273.04071	1.7
287.01938	28.4
288.02701	12.7
298.01215	5.1
298.87491	1.1
299.01962	66.9
300.02609	9.8
301.03415	4.9
315.01465	6.9
316.02222	100.0
317.02911	7.9
406.44525	1.2
496.78848	1.4
533.13586	1.2
587.19141	1.3
609.14655	1.9
611.15564	1.5
727.20947	1.9
753.18848	3.5
771.19867	82.0
772.19452	3.9
800.78802	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75258	0.2
56.75345	0.2
59.01244	2.8
65.00185	0.3
71.01235	0.8
71.12531	0.6
71.12892	0.3
72.81192	0.2
72.99178	0.4
73.02792	0.3
83.01261	0.5
85.02805	1.7
87.00735	0.7
91.68310	0.2
93.17424	0.2
95.01236	0.9
96.95873	0.3
97.02820	0.5
101.02287	0.2
107.01248	1.0
109.02831	0.9
111.00743	0.5
113.02309	1.2
113.55961	0.3
113.56593	0.4
120.72986	0.2
120.95592	0.4
121.02795	0.3
127.03886	0.9
131.66072	0.3
139.00241	0.6
149.02327	0.3
151.00270	4.2
155.03410	0.6
156.03682	0.3
157.01363	0.3
161.01952	0.3
169.01369	0.4
171.04422	0.9
175.00278	0.5
175.03897	0.5
178.99759	1.4
183.04509	0.4
187.03931	0.7
197.02405	0.3
199.02411	0.4
199.03963	2.8
201.01826	0.8
203.03488	0.4
209.75510	0.2
210.03160	0.3
211.03929	0.3
215.03349	1.3
226.02727	0.4
227.03455	2.9
229.01286	0.3
241.01570	0.3
242.02092	0.4
243.02974	3.9
254.02275	0.3
255.03011	2.5
256.03705	0.2
271.02505	55.4
272.02841	0.9
298.01093	0.4
299.01984	100.0
300.02725	14.1
301.03522	9.6
303.04901	0.3
325.03351	0.4
341.05295	0.3
343.04623	0.4
462.08084	15.7
463.08548	0.8
514.62585	0.4
609.14679	13.0
610.15222	0.3
639.20612	0.3
747.26788	0.3
771.19958	47.2
772.20190	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02843	0.5
59.01229	1.3
63.02264	1.2
65.00188	0.9
71.01219	0.5
73.02863	0.6
73.05645	0.5
74.02340	1.8
83.01254	1.2
91.72773	1.1
99.05509	1.8
101.80473	0.5
107.01244	4.1
109.02824	1.0
115.00183	0.6
117.47513	1.2
117.48219	1.1
124.01557	3.8
125.02319	2.0
128.03413	4.3
129.03745	0.8
136.01549	3.0
137.02290	1.5
140.74243	0.5
143.04510	6.2
146.04491	0.8
147.00729	0.8
150.03064	0.5
150.99014	0.5
151.00249	14.0
152.01028	5.5
152.46666	0.6
153.06625	0.8
159.04573	0.6
160.00641	1.5
161.72495	0.5
163.00262	3.3
164.01050	7.1
165.01794	1.0
165.05455	1.0
167.04575	1.0
167.64229	0.6
169.01376	1.8
170.89125	0.7
174.02939	0.6
175.03903	0.9
177.03362	1.1
178.99767	21.9
179.04515	1.1
180.00424	0.8
186.03098	0.5
187.03928	0.7
190.99927	0.6
192.00595	1.3
193.01340	1.1
199.03996	0.9
201.01892	1.2
203.03471	0.6
210.08781	1.4
210.18198	0.6
214.02655	8.3
215.03534	0.6
217.01323	0.6
218.02155	0.5
219.03026	0.7
227.03468	1.3
231.02878	0.9
232.03683	1.0
242.02159	5.5
243.02887	5.1
254.07889	1.2
255.03030	1.0
257.00967	0.6
259.02505	6.0
270.01736	7.2
271.02493	44.2
272.02866	1.1
272.08817	1.6
287.01987	21.9
288.02911	2.4
288.06290	0.8
289.07224	1.4
298.01483	0.9
299.02002	12.8
299.05396	0.7
300.02551	1.4
301.03531	0.8
306.07681	12.7
307.07675	3.0
315.01517	2.4
316.02255	100.0
317.02942	8.6
553.20764	0.8
571.21991	1.5
770.29333	1.1
771.19904	65.0
772.20245	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	771.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27420	0.5
59.01245	1.0
61.57945	0.5
63.02262	1.0
65.00195	1.3
66.08102	0.5
72.73898	0.6
73.05617	0.6
74.02332	1.1
76.14305	0.5
78.63767	0.4
78.65612	0.4
83.01237	1.7
86.02323	0.8
92.45382	0.5
99.05527	0.9
107.01246	3.3
109.02814	1.3
117.47447	0.8
117.48183	0.8
123.00798	0.7
124.01532	2.6
125.02320	2.3
128.03401	4.0
129.03741	0.6
133.93082	0.5
136.01550	3.0
137.02301	1.6
143.04485	4.3
149.02368	0.6
149.43860	0.5
150.03096	0.5
151.00252	12.6
151.03841	0.5
152.00996	4.6
160.00659	1.9
162.53802	0.5
163.00227	3.4
164.01044	7.3
165.01782	1.1
165.05492	1.1
167.97791	0.5
169.01309	2.7
175.03914	0.8
177.01846	0.6
178.99768	21.5
179.04556	1.1
189.01775	0.5
190.99783	0.6
192.00586	1.7
193.01341	0.9
199.04007	1.1
201.01891	1.4
203.03477	1.1
204.04254	0.8
205.01442	0.7
210.08842	1.1
214.02699	5.7
215.03505	1.1
219.02988	0.8
227.03398	0.9
232.03638	0.9
242.02197	5.3
243.02910	4.8
254.07964	1.1
255.03049	1.5
259.02515	6.7
270.01712	6.5
271.02490	43.2
272.02823	1.0
272.08960	1.4
287.01999	24.3
288.02731	2.8
288.06287	0.8
289.07193	2.0
299.01987	10.1
300.02631	1.6
306.07672	11.6
307.08069	2.8
315.01642	1.3
316.02243	100.0
317.02942	9.8
359.03537	0.6
363.16489	0.6
526.98950	0.6
571.21771	1.3
609.14008	0.7
609.71265	0.7
668.88080	0.6
736.88165	0.7
771.19885	58.4
772.20026	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	771.1995
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
57.52986	0.2
57.64923	0.2
59.01226	0.3
60.35431	0.2
63.02270	0.4
65.00185	0.4
67.99731	0.2
71.12548	0.6
71.12894	0.3
78.66910	0.3
81.03321	0.4
81.49545	0.3
83.01234	0.6
83.15926	0.2
107.01232	1.7
109.02832	1.0
111.04359	0.5
113.55963	0.3
113.56631	0.4
119.23082	0.3
121.02819	1.1
133.02852	0.4
135.00774	0.3
147.00757	0.4
148.01541	0.4
151.00256	8.7
163.00226	0.9
163.03903	0.3
169.01308	0.4
171.04376	0.7
173.02324	0.4
175.00314	1.4
175.03899	0.6
178.99789	1.9
187.03902	0.6
189.01857	0.4
193.01363	0.5
199.02361	0.8
199.03940	3.1
201.01843	0.6
201.05463	0.4
203.03508	0.5
211.04002	0.6
214.02499	0.3
215.03477	2.1
226.02606	0.9
227.03459	2.6
242.02356	0.4
243.02965	5.0
243.61295	0.3
245.04596	0.3
254.02242	0.5
255.02985	4.2
270.90408	0.5
271.02496	62.8
272.03061	0.9
273.03973	0.5
282.01620	0.6
283.02292	0.3
298.87735	0.9
299.01978	100.0
300.02750	27.0
301.03534	43.1
309.09875	0.4
313.03543	0.7
314.04153	0.4
315.05316	0.3
327.10880	0.8
343.04422	1.2
462.08066	14.0
463.08817	5.7
609.14679	33.2
610.14661	0.4
671.27924	0.3
756.62085	0.4
771.19940	54.2
772.20135	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86837	0.3
56.90166	0.4
59.09581	0.5
62.96525	0.4
76.95700	0.4
76.97714	0.6
91.98691	0.4
93.03305	3.3
99.26012	0.4
106.04088	0.6
108.02036	2.3
113.02316	0.7
121.02822	7.9
122.00165	0.7
122.03602	51.0
123.00745	2.0
123.03916	0.6
124.01538	10.5
125.02332	1.7
136.01538	25.6
137.02272	1.4
137.05951	1.0
149.99521	0.6
153.01796	0.6
165.01859	3.2
166.02615	57.9
167.03076	1.2
168.00615	1.2
177.01778	0.3
180.04187	0.7
181.04987	0.9
198.01628	62.2
199.01981	0.8
209.39748	0.3
212.03188	1.0
227.07144	0.3
228.07880	6.4
243.10246	7.7
269.08218	0.5
271.06232	0.4
272.06897	7.1
286.96948	1.0
287.09262	100.0
288.09555	3.1
331.08252	91.2
332.08472	2.5
347.16519	0.4
383.13525	1.3
439.12396	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01159	14.8
59.01489	2.2
59.67419	0.4
60.84990	0.5
61.98637	1.1
66.11779	0.5
68.99602	0.8
71.94744	0.4
73.11764	0.6
75.08233	0.5
81.03252	0.5
89.12907	0.5
89.56987	0.5
91.01655	1.3
91.02154	0.6
93.03210	6.4
96.95797	0.7
105.03262	0.8
107.04770	1.8
108.01976	1.2
109.02824	3.1
121.02821	12.7
123.00658	0.6
123.04398	6.2
133.02835	3.0
134.03467	1.8
135.04257	2.3
136.01526	3.9
137.02167	1.3
143.04825	0.7
145.02737	1.1
145.06366	1.5
146.03458	0.6
147.04311	0.7
149.02336	7.6
149.05956	1.2
150.03119	3.1
151.03905	11.0
159.04321	1.1
160.05115	1.2
161.02306	1.1
161.05838	0.7
162.03070	1.0
163.03770	1.7
165.01819	2.5
173.05898	1.2
175.07466	0.6
177.01860	4.0
178.02495	0.6
179.03415	32.2
179.04932	1.3
189.05350	1.8
189.85155	0.5
190.06184	1.2
191.03273	2.2
191.06927	0.5
205.08418	0.6
209.06068	0.7
229.04890	0.5
237.05487	0.7
237.08984	0.5
239.06938	1.2
243.06560	0.5
252.04106	1.2
253.04749	0.7
253.08682	0.9
255.06465	0.8
266.05734	1.6
267.03549	0.5
267.06522	3.7
268.07437	0.9
269.07996	1.0
270.08975	0.8
271.05984	0.8
279.06546	1.2
280.07263	1.4
281.08194	4.4
282.09015	3.1
283.06039	0.7
283.08850	0.6
289.08694	0.6
293.08154	0.9
294.09027	0.7
295.09671	1.1
296.10519	0.8
304.07394	0.6
305.08163	1.4
307.09583	0.6
309.11264	1.2
314.08112	3.0
318.09042	0.7
319.09674	2.2
320.10574	1.2
321.11349	0.8
325.10736	1.0
328.09497	1.6
333.11328	1.0
335.12949	1.0
349.10632	0.8
350.11667	0.7
441.12927	0.8
455.14996	1.0
456.15631	1.0
471.18033	2.0
486.16962	1.0
501.19174	4.5
531.16327	0.8
546.18921	2.1
561.21332	100.0
562.21875	4.4
609.24988	0.8
621.24738	0.6
651.25800	2.1
660.03894	0.6
681.26837	0.9
711.28210	11.0
741.28088	0.7
771.29657	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	771.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76767	0.9
59.01242	55.5
61.98689	5.9
63.23328	1.0
67.38297	1.1
91.73347	1.8
95.61905	1.1
108.02004	2.7
109.02821	1.1
115.46941	1.1
121.02794	4.7
121.23409	1.1
123.04398	3.7
130.60100	1.1
135.04344	1.2
136.01520	2.6
137.02312	1.5
141.18748	1.2
145.02841	1.0
146.03609	3.5
147.04344	2.3
149.02266	1.8
151.03864	2.1
153.01726	0.9
159.04353	1.6
164.04774	1.7
172.05228	1.0
175.03938	2.6
179.03381	2.2
185.69006	1.0
189.05540	1.4
209.05966	1.4
225.05638	1.2
227.03545	1.5
228.04247	2.7
230.05713	1.6
239.07098	3.0
243.06625	1.5
252.04254	1.7
255.06577	1.6
257.04593	1.7
265.08551	1.8
266.05774	1.8
267.06613	1.8
269.08386	1.3
282.08908	1.8
290.08112	1.5
295.06067	1.4
340.09616	1.6
348.08398	1.5
433.12845	6.9
443.10931	2.7
448.15933	5.8
457.12970	1.4
461.12518	10.4
462.13492	1.6
463.14182	7.5
475.13760	3.0
476.14899	6.8
485.12314	5.5
491.17166	2.8
500.14703	8.4
508.13849	17.0
515.17133	32.1
516.17523	1.7
534.15210	4.8
549.17700	73.0
550.18030	3.7
651.25018	1.9
652.28308	1.3
711.25146	3.6
750.58319	1.4
771.26746	100.0
772.26611	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	771.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75638	0.7
59.01243	38.6
60.72050	0.8
61.98704	1.4
69.03314	0.8
91.01750	1.4
93.03305	8.0
107.04891	1.0
108.02023	2.2
109.02824	3.2
119.04868	3.0
121.02825	13.2
123.00735	1.3
123.04385	7.0
128.22906	0.9
133.02846	2.1
134.03635	5.6
135.04369	2.3
136.01541	9.7
137.02304	5.6
143.04868	1.8
145.06490	8.5
147.04358	2.4
149.02336	6.8
149.05966	2.1
150.03093	2.2
151.03903	14.8
159.04359	3.4
160.05203	2.3
161.05986	3.2
162.03110	2.0
163.03918	2.9
163.45197	1.4
165.01863	2.1
172.05266	1.8
173.05998	3.2
175.07542	1.8
177.01860	2.8
179.03404	22.8
185.08855	1.2
188.04686	1.4
189.05481	3.5
190.06294	2.9
191.03465	1.7
191.07155	1.1
193.04881	1.1
201.05618	1.6
203.07060	1.2
205.08592	1.1
221.06148	1.1
222.06978	1.1
237.05525	1.0
239.07178	1.9
241.04961	1.8
242.05721	1.4
243.06599	2.5
244.07533	1.2
251.07378	1.4
252.04170	1.7
253.08774	1.6
255.06619	2.0
257.04538	1.8
257.08224	2.2
258.08984	1.8
266.05902	1.7
267.06625	3.9
269.04465	1.0
269.08032	1.3
270.05215	1.0
271.06070	2.4
272.06912	1.5
273.07529	2.2
277.59863	1.0
279.06540	2.4
280.07376	2.2
281.08194	6.2
282.08926	3.2
283.06088	2.0
287.09302	2.1
290.08023	1.7
293.08087	1.3
294.08926	2.3
295.09811	3.5
296.10376	2.0
297.07736	2.3
307.09714	2.0
309.07886	2.3
309.11218	1.9
311.09293	3.1
314.08020	3.1
318.09070	1.4
319.09760	2.3
325.10773	1.5
328.09589	1.6
333.11368	2.2
335.12589	1.2
339.12421	1.4
364.13382	1.3
401.14035	1.4
402.14731	1.5
415.15756	1.6
431.15112	1.6
432.15189	1.4
439.15457	1.8
447.15051	1.4
461.16553	1.3
469.16702	1.4
471.18536	1.6
491.16769	1.4
501.19275	2.8
503.57425	1.1
505.18552	1.6
529.18365	2.9
533.18945	1.3
546.18817	1.6
561.21338	75.1
562.21094	2.4
621.24823	4.2
649.22821	1.2
651.26105	11.7
681.27240	3.8
711.28253	56.1
741.29260	4.5
771.30280	100.0
772.30707	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	771.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55489	0.7
55.55715	0.4
58.54167	0.7
59.01235	0.8
60.37723	0.3
61.98682	1.2
64.11179	0.3
70.60390	0.3
75.48058	0.3
91.69334	0.4
93.03321	0.5
109.02814	0.7
117.55897	0.3
121.02819	4.1
122.03588	2.0
123.00745	1.1
123.04378	1.2
124.01533	0.9
131.04942	0.5
136.01546	0.4
136.05153	1.9
137.02327	0.9
137.05952	0.9
139.23300	0.4
143.04890	0.9
145.02820	0.7
145.06526	0.4
146.03595	0.9
147.04402	2.7
149.02299	2.0
150.03091	4.2
150.98018	0.4
151.03943	0.7
153.05444	0.4
158.03641	3.5
159.04407	11.6
160.05193	38.2
161.05975	10.7
161.07961	0.4
162.03119	0.6
163.03906	4.3
164.04691	4.7
173.05991	4.3
173.13632	0.4
174.06815	1.9
175.07549	30.3
176.04712	0.7
177.05470	7.1
178.06261	13.7
179.03508	0.5
179.07098	0.7
191.07043	0.5
192.07857	4.1
193.04912	0.6
193.08611	3.8
221.36691	0.4
299.12897	0.9
314.11514	0.6
315.12469	1.5
328.96869	0.8
329.13959	100.0
330.14252	1.5
359.15036	0.9
367.19122	1.7
377.17328	0.4
378.18146	0.6
393.20645	1.5
397.20120	0.5
399.06183	0.4
411.21780	13.0
741.36719	5.1
771.37793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55486	1.3
55.98172	0.6
58.54187	0.8
59.01229	0.8
64.17860	0.6
71.74673	0.7
73.30810	0.6
79.79548	0.7
101.68302	0.7
121.02829	4.3
122.03602	2.7
123.00739	1.4
123.04393	0.7
136.05183	1.3
137.02322	0.8
143.04893	0.9
146.03636	0.8
147.04402	3.2
149.02312	1.3
150.03142	5.6
153.05490	1.0
158.03676	3.5
159.04404	12.2
160.05199	37.5
161.05969	13.2
163.03914	3.9
164.04680	5.6
173.05978	5.0
174.06860	1.0
175.07558	32.8
177.05467	7.3
178.06268	14.2
189.05438	0.8
191.07156	1.0
192.07863	3.7
193.08624	3.7
290.01520	0.6
299.12900	1.4
315.12387	2.0
329.13968	100.0
330.14240	1.6
343.15683	1.0
367.18927	2.0
378.18622	1.1
393.20685	2.1
411.21814	13.1
640.64746	0.9
741.36346	8.4
742.36517	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49370	0.4
58.83036	0.4
59.01020	0.4
59.01243	5.0
60.29812	0.9
60.30074	0.5
61.61947	0.4
68.54304	0.4
69.33451	0.4
74.62213	0.5
78.95758	36.3
82.46120	0.5
91.73484	1.0
96.96824	5.9
100.86626	0.4
108.02030	2.2
121.02805	1.4
122.03605	0.7
150.97899	1.8
152.99472	100.0
153.04802	1.1
167.06020	0.5
171.00562	3.5
176.48120	0.5
211.13330	11.9
249.18579	4.8
281.24820	1.1
290.22501	3.7
291.23288	13.9
292.23810	0.9
322.49115	0.6
335.22275	11.3
363.25504	0.9
387.25775	0.7
435.25186	37.9
436.25623	1.0
447.22626	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	771.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14210	0.3
58.91744	1.1
58.92016	0.6
59.01240	0.5
61.81165	0.3
78.93867	0.6
78.95762	45.1
79.34933	0.5
80.76066	0.4
85.96984	0.4
94.72695	0.4
96.96817	4.7
106.04070	0.6
119.04881	1.0
133.06526	0.5
150.97911	1.7
152.99477	100.0
157.08757	0.4
171.00560	3.5
209.54120	0.4
231.17493	5.6
247.16995	2.6
255.23308	2.5
277.22073	0.5
299.23868	7.7
317.24933	3.5
361.23886	21.6
362.23953	1.2
385.23889	0.6
386.24252	0.8
387.24228	0.5
393.96826	0.6
409.23645	54.2
410.24286	0.9
452.12253	0.5
615.92035	0.5
756.30066	0.5
765.64294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43562	1.1
58.95474	1.4
59.00971	2.4
59.01242	31.3
77.51939	1.1
78.95747	2.3
87.19306	1.1
87.40829	1.4
91.73300	1.6
104.80607	1.3
117.33945	1.2
119.04881	4.4
121.02823	4.3
138.50035	1.3
152.99472	2.2
203.14337	33.3
231.13875	25.8
231.17415	1.8
301.25229	1.6
317.24835	67.7
318.25092	3.4
325.25296	3.4
327.21722	5.4
343.26453	4.6
361.20181	1.1
361.23868	60.4
387.25430	100.0
388.25595	3.0
422.33148	1.9
580.23505	1.6
700.74176	1.6
771.48236	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	771.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14213	0.2
56.95119	0.2
58.91742	0.7
58.92008	0.4
59.01251	0.4
62.96268	0.2
66.42547	0.3
78.95758	50.8
78.97699	0.9
82.50656	0.2
91.46028	0.2
96.00933	0.3
96.96819	5.3
97.42850	0.2
102.82559	0.2
102.88857	0.4
104.36040	0.2
107.04917	0.5
119.04916	1.2
121.02834	0.8
134.00569	0.2
146.72237	0.3
150.97899	1.6
152.99471	100.0
153.04694	1.0
153.99725	0.3
171.00542	2.2
188.10107	0.2
203.14343	4.2
219.13884	3.1
253.34142	0.3
255.23206	2.3
299.20435	0.5
299.23807	9.4
315.23312	1.0
317.24893	4.5
343.26401	0.5
361.23883	22.6
362.24237	0.8
387.25504	2.3
401.62381	0.3
406.35977	0.3
409.23633	58.9
410.24149	1.6
757.31793	0.3
761.44659	0.3
771.47986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00184	1.2
59.01243	100.0
59.02478	1.7
62.81240	0.2
78.95757	0.4
86.81804	0.2
138.69696	0.2
147.04323	0.3
165.37360	0.2
170.74957	0.2
182.13498	0.2
219.13872	0.4
231.17511	0.5
258.98898	0.2
263.75418	0.2
265.86301	0.2
267.19693	3.7
274.15311	0.2
275.20285	0.5
285.20758	1.3
315.23270	4.2
327.21771	12.3
359.22299	3.0
361.23920	1.1
363.28894	0.3
387.25439	0.6
389.27115	0.4
658.13239	0.3
693.46222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24239	0.4
57.24542	0.4
61.97365	1.6
61.98693	100.0
61.99842	1.2
70.62704	0.4
78.02678	0.4
78.95789	0.6
79.08068	0.4
87.05516	0.8
96.95895	0.8
110.85552	0.4
113.03451	0.6
115.08629	1.2
125.70100	0.4
139.08652	0.4
140.07057	0.6
155.08163	0.5
165.10248	1.2
167.08250	0.7
182.12987	0.8
197.16664	0.5
200.13997	1.5
281.19904	1.2
292.19775	0.5
299.20966	0.9
308.89648	0.5
341.60141	0.5
368.22995	2.7
369.23669	0.6
375.36682	0.4
577.37238	7.8
578.37079	2.5
579.38055	1.1
580.38116	1.2
611.36023	9.0
612.36273	0.9
613.36530	1.6
614.36566	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	772.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24239	0.4
57.24542	0.4
61.97365	1.6
61.98693	100.0
61.99842	1.2
70.62704	0.4
78.02678	0.4
78.95789	0.6
79.08068	0.4
87.05516	0.8
96.95895	0.8
110.85552	0.4
113.03451	0.6
115.08629	1.2
125.70100	0.4
139.08652	0.4
140.07057	0.6
155.08163	0.5
165.10248	1.2
167.08250	0.7
182.12987	0.8
197.16664	0.5
200.13997	1.5
281.19904	1.2
292.19775	0.5
299.20966	0.9
308.89648	0.5
341.60141	0.5
368.22995	2.7
369.23669	0.6
375.36682	0.4
577.37238	7.8
578.37079	2.5
579.38055	1.1
580.38116	1.2
611.36023	9.0
612.36273	0.9
613.36530	1.6
614.36566	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	772.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	1.0
59.00029	1.2
59.01243	64.8
61.98689	0.7
62.53759	0.5
63.60739	0.5
66.24247	0.5
70.02875	0.6
70.99648	0.9
71.01241	35.0
71.04883	0.6
72.99177	2.1
73.02827	1.3
83.01250	1.4
85.02807	6.6
87.00723	1.5
89.00067	1.1
89.02299	46.4
89.04346	0.8
95.01254	1.7
96.04427	0.8
99.00742	0.6
101.02305	24.6
112.07573	1.2
113.02307	15.1
116.33772	1.7
119.02510	1.1
119.03370	20.8
131.03436	1.7
143.03413	3.2
149.04529	2.4
161.04453	3.5
179.05540	10.7
179.07031	1.0
212.96783	0.7
223.20619	1.3
225.22214	14.5
237.22275	1.6
253.21704	2.6
255.23305	1.1
270.24350	0.9
271.22922	3.7
278.24902	4.7
296.25974	4.3
306.24539	1.7
324.25577	0.8
532.47406	29.9
533.47864	1.1
550.48669	12.4
550.56927	0.9
567.23480	0.8
712.53790	100.0
713.54114	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	772.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81475	3.2
56.64574	4.3
59.01241	52.2
64.95654	3.4
71.01237	20.3
89.02294	32.2
89.02747	5.2
101.02280	22.5
110.71704	4.1
113.02335	13.3
119.03371	20.4
125.08659	5.2
128.16985	4.4
157.06117	4.5
161.04453	4.9
179.05544	9.6
195.15475	4.6
199.09727	5.2
203.58922	5.4
225.22133	9.9
271.22934	5.6
532.47455	28.2
550.48535	8.1
712.53888	100.0
713.54749	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	773.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01219	0.6
63.02254	0.7
65.00185	0.8
71.01248	0.4
71.24208	1.0
71.24564	0.5
72.99173	1.9
74.16572	0.3
83.01225	0.6
93.03282	0.5
97.14366	0.3
107.01229	2.3
108.02040	1.3
121.02817	3.5
125.02312	0.7
135.00723	0.6
135.61911	0.4
140.40248	0.4
145.02821	0.5
148.01521	1.3
151.00262	8.8
163.00256	1.2
163.03912	0.8
164.01120	0.6
169.01421	0.7
175.03835	0.4
178.99780	6.0
181.04889	0.7
187.03969	0.5
192.00562	0.5
199.03944	1.0
200.04640	0.4
201.01837	0.6
211.03835	0.5
215.03401	0.8
216.04228	0.7
226.02693	2.3
227.03447	3.2
229.05023	0.5
242.02031	0.5
243.02972	12.4
244.03523	0.6
252.43504	0.4
254.02187	2.5
255.02975	27.0
256.03381	0.9
271.02493	61.2
272.03021	3.1
284.03278	0.7
299.02002	4.7
299.89340	0.9
300.02753	100.0
301.03470	12.0
316.02341	0.8
355.04501	0.7
411.16608	1.3
539.60010	0.4
547.93518	0.4
557.99988	0.3
591.13629	4.4
593.15179	0.6
609.14636	17.6
610.15088	1.3
651.15765	15.6
652.15710	1.3
676.32898	0.5
755.18359	11.5
756.19202	1.3
766.10309	0.4
773.19403	27.6
774.18982	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	773.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	1.0
59.01243	6.4
61.32818	0.6
71.01236	8.9
72.74497	1.5
73.02793	1.7
75.56781	0.8
83.01234	1.0
89.02298	11.8
90.79800	0.8
96.95839	1.3
97.02788	1.3
99.00738	1.4
101.02314	2.8
108.02036	1.2
109.02812	1.0
113.02296	1.1
115.03891	1.0
121.02824	1.0
122.03631	0.8
123.00759	2.5
123.04384	1.1
125.02319	11.0
130.04083	1.3
131.03386	1.8
133.02831	1.4
137.02299	1.8
139.00217	1.9
139.03868	1.0
148.05180	3.3
149.02367	0.8
149.04434	2.1
152.00995	0.9
163.07527	1.8
165.01843	1.3
167.03386	2.6
177.01865	2.4
180.05656	1.4
181.06424	1.0
191.05577	1.1
197.06078	1.4
198.06779	0.8
208.05305	0.9
209.06042	10.1
210.06818	3.7
213.05547	1.1
220.05260	2.2
221.06044	4.8
225.05542	5.9
226.06313	46.3
227.06703	1.2
229.05034	3.5
233.06581	5.2
237.05534	7.0
238.06329	25.4
241.05040	3.0
241.08702	7.0
253.05144	2.1
253.08716	7.3
270.05380	17.8
281.04468	1.5
282.05341	26.7
285.07697	98.6
286.08115	2.3
293.08783	16.1
297.07690	100.0
298.08179	1.4
305.06628	3.3
315.08807	6.7
735.50037	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	62.2
86.46475	1.8
96.95834	2.6
109.02847	1.8
121.02813	2.4
136.01549	16.0
137.02339	4.6
146.03557	4.4
148.35448	1.9
151.03902	19.9
162.03030	1.8
163.03911	3.4
173.76634	1.9
175.03886	3.5
177.05460	3.6
203.97276	1.9
228.04333	2.2
237.05638	2.5
241.04790	2.1
242.05737	2.6
243.06538	3.6
255.06619	2.5
257.08286	2.1
258.05392	3.1
265.04889	2.6
267.31635	2.0
271.06143	2.1
281.04590	4.1
299.09210	4.6
309.04196	13.5
343.19461	2.1
398.45135	2.0
435.14658	2.3
460.15469	4.5
461.16229	2.4
463.13879	9.0
465.15527	6.1
477.15567	4.3
478.16415	18.3
487.13837	4.7
493.18970	3.6
502.16367	5.8
507.16452	2.2
517.18677	40.6
536.16644	4.0
551.19263	100.0
552.19910	3.7
621.62787	2.3
713.26422	3.5
773.28241	94.7
774.28461	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	773.282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07809	1.2
54.37007	1.2
58.75080	1.3
59.01242	50.3
61.98679	2.6
71.01214	2.0
74.76588	1.5
86.27670	1.4
93.03323	3.8
102.21521	1.4
109.02813	8.5
121.02837	7.3
123.04404	4.7
127.00432	1.5
132.33989	1.5
133.02864	2.7
134.03625	3.1
135.04404	3.4
136.01534	18.1
137.02350	7.2
146.03625	5.6
147.04471	3.5
148.01564	1.8
149.02332	3.9
150.03191	4.0
151.03912	22.1
162.03123	3.5
163.03931	7.0
164.04694	4.0
166.02628	3.6
172.09528	1.7
175.04041	1.7
176.06766	1.5
177.01944	2.1
178.11070	1.6
179.03415	16.9
181.05011	6.3
187.56317	2.0
191.07231	1.7
193.05008	4.1
229.05014	3.7
241.05084	2.1
243.06656	2.2
251.07121	2.1
255.06645	2.8
258.05566	2.5
267.06772	1.8
272.07028	2.6
279.06543	3.6
281.08145	2.1
283.06082	2.9
291.06708	2.6
295.06180	2.6
297.07767	3.6
311.09433	2.5
321.07672	3.0
323.09274	2.3
337.07117	3.8
338.08008	5.9
353.10342	26.8
399.12869	2.3
418.97592	2.0
435.14462	2.1
457.17941	2.0
460.16010	2.3
463.14182	5.0
465.15393	4.0
477.15744	2.2
478.16287	9.9
489.15781	2.1
502.16843	2.9
503.17227	2.6
510.15314	5.3
517.18811	18.7
519.16687	4.5
536.17084	2.0
551.10760	3.4
551.19257	62.4
552.19482	2.6
561.21283	11.7
563.14941	13.3
593.20300	22.6
611.21790	4.8
681.23566	2.3
713.26154	6.1
741.25421	2.2
743.27960	3.3
773.28564	100.0
774.28845	4.7
794.84814	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	773.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99435	1.8
57.03321	0.7
58.00454	1.7
59.01243	13.4
59.78902	0.7
63.16518	1.1
67.33100	0.9
71.01241	23.7
71.04846	0.9
72.99162	1.9
73.02807	5.0
73.85136	0.8
75.00749	0.8
76.50557	0.7
78.95745	0.8
83.01253	17.8
84.02026	2.5
85.02814	3.4
85.44043	0.7
87.00739	2.9
87.30264	0.9
96.95866	6.4
99.00710	11.7
101.02300	17.3
111.00523	2.0
112.01513	16.9
113.02304	5.0
123.00534	4.8
125.02092	1.8
125.09529	1.1
127.00268	2.3
127.11156	13.6
135.00568	1.8
139.00055	1.2
139.11186	1.7
140.00797	3.5
141.01576	11.4
148.37036	0.8
150.98898	1.6
151.00017	12.3
152.00766	1.5
152.32489	1.0
153.01613	5.6
154.99562	1.3
166.99512	13.7
167.10440	23.0
169.12279	5.5
171.10223	1.0
183.02669	66.3
201.03712	5.4
209.11540	5.7
211.09485	6.5
221.11575	2.6
227.01671	6.3
233.11589	1.3
249.11113	2.5
251.12617	10.9
271.15457	4.7
311.14752	31.4
323.14752	1.3
329.15854	44.8
353.11578	1.0
353.15909	17.6
355.13736	20.2
355.21017	1.2
371.16888	100.0
373.14819	21.2
397.14798	7.0
412.13913	0.9
415.15979	1.5
601.31458	1.8
672.50226	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93737	0.1
58.27207	0.1
61.98694	1.0
71.01250	0.1
78.95763	3.3
79.95587	1.6
84.85448	0.1
93.56549	0.1
94.92346	0.2
95.97457	0.2
96.92082	0.4
96.93523	1.4
96.95868	100.0
96.96760	6.2
96.98576	1.2
103.39319	0.1
117.03284	0.2
145.02832	0.3
270.13654	0.1
281.72885	0.1
327.08362	0.1
361.04883	0.1
372.03687	0.1
381.12750	0.1
453.09476	0.4
713.30469	0.6
773.43732	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	773.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40462	0.3
67.73913	0.3
78.95752	1.7
79.95589	1.2
88.71037	0.4
92.50455	0.4
94.92368	0.8
96.92094	2.0
96.93403	1.5
96.95868	100.0
96.96864	3.3
120.07459	0.4
128.96089	0.4
147.41145	0.4
243.38939	0.4
337.94476	0.4
713.31000	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52540	1.7
59.01240	24.8
59.28674	1.8
61.98699	2.0
78.64830	1.6
91.72713	2.5
109.24889	1.9
119.04952	7.7
121.02844	4.1
152.99506	2.8
203.14404	8.5
205.16013	6.1
211.78998	2.4
214.93144	1.8
217.27023	2.3
219.13858	17.0
231.13924	5.0
233.15396	11.0
241.34996	2.0
258.63464	2.0
301.25455	6.2
317.24826	36.5
318.25287	6.1
319.26428	56.8
325.25421	22.8
327.25662	2.3
329.23441	2.3
343.26349	4.3
361.24252	3.5
363.25415	100.0
364.25592	2.9
385.24026	4.5
387.25452	95.1
388.25879	10.8
389.26514	4.2
618.78961	2.3
649.89240	2.5
773.49170	25.3
774.50183	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	773.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40765	0.3
56.20422	0.2
59.01247	1.5
61.98676	0.3
77.23675	0.3
78.95757	0.7
84.96759	0.3
87.42122	0.2
87.62361	0.7
87.62829	0.5
91.56969	0.4
92.02519	0.9
93.03301	0.3
93.71317	0.3
95.01238	0.3
101.94524	0.3
104.46633	0.4
106.04085	2.5
107.04898	1.3
108.02055	1.3
119.04105	0.3
119.04893	6.3
121.02013	0.4
121.02824	6.0
133.06444	1.7
137.02362	0.5
139.82472	0.3
141.12717	0.3
163.11183	0.3
175.11125	0.4
189.12755	1.0
203.14360	0.7
207.23897	0.3
217.15837	0.6
231.17450	0.9
233.15451	1.1
233.19009	0.5
245.15396	0.6
245.19115	2.5
247.16988	0.6
259.20645	2.1
261.18616	4.7
273.22226	3.6
275.20203	2.2
287.23813	2.5
299.23843	1.8
301.25381	2.9
315.23441	0.6
315.26883	7.1
316.27176	0.4
317.24854	54.1
318.25214	3.0
327.26941	21.2
328.27252	0.8
343.26425	7.6
344.26712	1.5
345.27997	36.2
346.28329	1.5
361.23871	36.4
362.24139	1.7
387.25272	1.6
388.25751	1.9
389.26996	100.0
390.27316	4.4
576.23920	0.3
773.49695	6.8
774.50372	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.3
59.01241	15.7
62.14438	0.3
64.77571	0.3
68.44879	0.3
70.71827	0.3
78.95741	1.6
80.29852	0.4
85.04743	0.6
85.06434	2.1
87.69868	0.4
91.72643	0.3
92.02541	0.9
93.73946	0.8
93.74530	0.8
106.04060	2.4
107.04893	2.4
119.04884	8.2
121.02816	5.7
133.06483	2.0
147.08043	0.5
149.74734	0.4
152.99457	2.6
161.09572	0.7
175.11151	0.8
189.12793	0.8
203.14333	0.7
217.15971	0.6
231.17502	14.7
233.19083	4.4
250.76740	0.5
257.19092	29.6
257.30838	0.4
261.18597	6.5
262.24051	0.4
269.21558	0.4
294.83813	0.4
299.35950	0.4
301.25229	2.5
317.24850	32.3
318.25186	1.0
319.26431	59.2
320.26718	3.4
323.23682	1.4
325.25360	29.3
326.25699	0.9
327.21564	0.5
329.23190	0.8
343.26364	1.5
363.25433	100.0
364.25772	4.0
382.58707	0.4
387.25424	80.3
388.25842	3.7
409.23639	1.5
552.37170	0.6
751.63251	0.4
773.49786	18.8
774.50031	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
70.12759	0.5
72.08307	0.5
73.17211	0.5
74.86854	0.6
78.95758	0.8
80.57214	0.7
81.38490	0.7
84.54214	1.2
84.54645	0.8
119.04897	0.8
122.03603	17.6
135.04376	8.3
137.02333	1.4
149.05975	1.0
154.02596	1.3
167.28873	0.7
191.10719	0.8
246.33302	0.8
259.20715	1.0
317.24857	71.2
318.25204	2.8
327.26840	2.4
340.89182	0.7
345.27945	1.6
348.28799	0.7
361.23877	100.0
362.24112	4.1
389.26968	3.7
537.24573	0.8
773.50165	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	773.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00059	1.8
59.01241	100.0
59.02542	1.4
60.01573	0.4
60.57513	0.2
61.98705	0.2
78.95766	0.5
81.05753	0.2
106.60977	0.2
119.04870	0.2
123.95478	0.2
143.01561	0.2
152.99527	0.3
162.63068	0.2
167.15271	0.2
230.00223	0.2
254.35306	0.2
267.19577	1.2
269.21365	0.7
285.20862	0.5
317.24954	0.8
318.25195	0.6
327.21799	3.4
329.23438	2.0
361.24017	0.8
362.24481	0.6
363.25244	0.4
387.25281	0.5
388.26044	0.3
639.45313	0.8
756.50592	0.3
773.49371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24869	0.9
59.01242	100.0
59.02479	1.4
62.70103	0.8
62.80816	0.8
66.22447	0.8
78.95743	1.2
93.12023	0.9
117.03331	1.1
119.04906	1.1
131.53346	0.8
145.02788	2.6
152.99525	1.1
164.46124	0.9
182.52635	1.0
259.48080	1.2
267.19632	1.3
283.33621	1.0
285.20633	1.2
301.25186	1.5
317.24756	2.7
327.27283	1.1
329.23175	1.5
361.23712	2.9
389.26755	2.3
441.05777	1.3
484.30716	1.1
636.49487	1.2
639.45081	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	773.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00000	1.6
59.01243	100.0
59.02373	1.6
63.56975	1.0
78.95779	1.1
79.52187	0.7
104.16091	0.7
117.03365	0.8
119.04919	1.1
121.02851	1.1
122.89317	1.0
145.02866	1.7
152.99487	0.9
267.19696	1.8
285.20691	1.5
295.20837	1.1
327.21918	1.9
329.23102	0.9
361.24057	1.7
387.11780	3.8
405.13007	1.3
405.55475	0.9
431.10855	16.5
432.11261	0.9
597.42816	1.0
639.44788	4.1
729.50897	1.2
737.35522	1.0
773.49097	1.1
792.57959	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02621	1.0
54.17944	1.1
59.01234	1.7
61.48022	1.0
61.98680	1.8
65.00182	1.8
65.03080	1.2
65.99709	1.4
68.01302	1.9
68.99684	2.0
71.01231	3.4
82.02851	2.1
82.69029	1.4
84.00752	2.5
96.00755	1.7
99.00744	21.2
107.01237	3.6
108.02018	1.8
109.01573	1.8
110.02334	3.2
111.03109	4.2
112.00268	12.7
120.04419	3.0
121.02825	1.7
121.06464	2.4
122.05978	1.7
124.00269	23.5
132.04395	1.7
134.09636	3.6
136.07594	3.1
145.07587	4.6
147.04402	1.5
148.03935	29.4
149.04727	1.9
150.05435	4.1
151.00241	7.5
159.09196	10.0
160.03915	11.4
160.06218	2.3
160.09991	2.3
161.04723	85.2
161.10693	5.4
161.11899	1.5
162.05505	4.2
164.01047	2.1
164.03438	1.5
171.09126	4.1
173.03293	12.4
173.04713	2.1
173.07262	1.6
173.10739	13.4
174.04225	5.2
174.05496	2.9
174.07866	4.8
175.05029	43.1
175.06244	2.4
176.05815	7.1
177.06512	1.3
178.99785	4.0
184.02441	3.3
186.05464	1.7
187.06267	3.8
187.08694	1.5
189.06616	4.0
189.10245	16.9
190.07372	5.3
191.08122	1.9
199.03818	2.2
200.07076	3.3
201.02007	1.6
201.09218	3.0
202.03770	3.3
202.08797	11.1
203.04602	21.1
203.08205	1.9
203.11983	1.6
213.10243	1.8
214.10994	1.5
215.03537	2.4
215.05925	2.2
215.08159	3.2
216.06647	3.3
217.07591	2.6
217.09764	50.0
227.03445	4.2
228.06558	1.8
229.07365	1.8
232.08482	6.8
233.09264	6.7
242.08197	5.2
243.03003	10.0
244.03246	2.3
244.09801	66.1
245.09305	50.5
246.10092	5.8
247.10832	15.7
255.02991	26.8
256.03387	5.3
271.02490	56.4
272.02850	13.8
273.03021	2.2
278.09158	1.6
284.03354	4.2
285.08939	2.3
287.10406	3.0
288.08823	7.8
295.10718	2.2
299.01971	26.7
300.02737	72.1
301.03253	20.7
302.03467	4.8
303.09854	2.9
305.11450	100.0
306.12244	15.7
307.13010	64.8
336.09891	4.3
338.11374	9.7
339.12085	1.8
342.51648	1.6
359.12485	10.3
396.15561	14.5
422.17221	4.1
456.72610	1.6
466.16089	2.1
468.17709	20.1
470.47183	1.6
506.99619	1.6
593.22797	4.8
609.14795	1.9
611.23615	56.4
633.12372	1.6
649.14020	2.3
726.39459	1.7
755.18420	8.0
755.68646	20.9
756.18475	16.1
756.29846	3.2
756.69373	2.0
774.29944	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02621	1.0
54.17944	1.1
59.01234	1.7
61.48022	1.0
61.98680	1.8
65.00182	1.8
65.03080	1.2
65.99709	1.4
68.01302	1.9
68.99684	2.0
71.01231	3.4
82.02851	2.1
82.69029	1.4
84.00752	2.5
96.00755	1.7
99.00744	21.2
107.01237	3.6
108.02018	1.8
109.01573	1.8
110.02334	3.2
111.03109	4.2
112.00268	12.7
120.04419	3.0
121.02825	1.7
121.06464	2.4
122.05978	1.7
124.00269	23.5
132.04395	1.7
134.09636	3.6
136.07594	3.1
145.07587	4.6
147.04402	1.5
148.03935	29.4
149.04727	1.9
150.05435	4.1
151.00241	7.5
159.09196	10.0
160.03915	11.4
160.06218	2.3
160.09991	2.3
161.04723	85.2
161.10693	5.4
161.11899	1.5
162.05505	4.2
164.01047	2.1
164.03438	1.5
171.09126	4.1
173.03293	12.4
173.04713	2.1
173.07262	1.6
173.10739	13.4
174.04225	5.2
174.05496	2.9
174.07866	4.8
175.05029	43.1
175.06244	2.4
176.05815	7.1
177.06512	1.3
178.99785	4.0
184.02441	3.3
186.05464	1.7
187.06267	3.8
187.08694	1.5
189.06616	4.0
189.10245	16.9
190.07372	5.3
191.08122	1.9
199.03818	2.2
200.07076	3.3
201.02007	1.6
201.09218	3.0
202.03770	3.3
202.08797	11.1
203.04602	21.1
203.08205	1.9
203.11983	1.6
213.10243	1.8
214.10994	1.5
215.03537	2.4
215.05925	2.2
215.08159	3.2
216.06647	3.3
217.07591	2.6
217.09764	50.0
227.03445	4.2
228.06558	1.8
229.07365	1.8
232.08482	6.8
233.09264	6.7
242.08197	5.2
243.03003	10.0
244.03246	2.3
244.09801	66.1
245.09305	50.5
246.10092	5.8
247.10832	15.7
255.02991	26.8
256.03387	5.3
271.02490	56.4
272.02850	13.8
273.03021	2.2
278.09158	1.6
284.03354	4.2
285.08939	2.3
287.10406	3.0
288.08823	7.8
295.10718	2.2
299.01971	26.7
300.02737	72.1
301.03253	20.7
302.03467	4.8
303.09854	2.9
305.11450	100.0
306.12244	15.7
307.13010	64.8
336.09891	4.3
338.11374	9.7
339.12085	1.8
342.51648	1.6
359.12485	10.3
396.15561	14.5
422.17221	4.1
456.72610	1.6
466.16089	2.1
468.17709	20.1
470.47183	1.6
506.99619	1.6
593.22797	4.8
609.14795	1.9
611.23615	56.4
633.12372	1.6
649.14020	2.3
726.39459	1.7
755.18420	8.0
755.68646	20.9
756.18475	16.1
756.29846	3.2
756.69373	2.0
774.29944	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
62.73083	0.5
63.02250	0.7
66.64307	0.7
67.23540	1.3
83.01302	0.7
97.71216	0.7
99.84112	0.6
107.01251	2.1
108.24152	0.9
108.24733	1.0
117.03335	2.1
119.04884	1.6
120.44867	0.6
132.02034	0.9
135.00713	0.9
137.84216	0.8
145.02831	6.4
149.14793	0.7
151.00270	4.9
152.01028	0.9
163.00230	1.0
163.03952	1.2
169.17398	0.7
178.99695	1.1
187.03952	0.9
199.03867	0.9
211.03958	2.3
213.05519	1.3
227.03464	33.7
229.04988	2.5
239.03427	1.2
255.02985	69.6
256.03635	6.2
257.04547	2.4
283.02390	3.4
283.89191	1.1
284.03278	100.0
285.04050	23.7
309.04095	1.2
413.08905	1.5
593.15204	20.5
739.18915	61.4
740.18970	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	775.267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87168	0.8
67.90798	0.6
68.86065	0.6
71.01247	0.8
72.99172	6.6
73.02811	1.7
74.99069	1.6
75.00732	100.0
75.02586	1.2
80.61526	0.7
85.02808	3.2
136.01564	2.9
146.03627	1.2
151.03899	6.6
162.03123	1.4
164.04669	1.0
165.05515	1.1
177.05434	1.5
179.07054	5.1
191.07162	0.8
193.05008	3.0
195.06572	3.5
209.08128	1.6
221.08170	1.5
265.39902	0.9
325.09274	1.1
326.09589	0.9
327.10016	1.1
355.10498	1.9
375.14496	10.8
489.68774	1.0
537.20026	3.1
553.19275	1.3
651.11224	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00107	1.2
59.01244	63.2
60.01597	1.2
60.22104	1.1
65.25143	1.1
66.50135	1.2
83.86449	1.3
92.13606	1.5
108.34483	1.4
109.02791	2.3
121.02864	1.5
123.04372	2.3
137.02399	1.9
145.97211	1.5
146.03616	4.5
147.04465	2.5
150.03156	1.7
151.03911	2.3
159.04385	2.4
160.05217	4.0
161.05963	5.6
162.03078	2.4
163.03873	2.4
164.04662	2.9
164.97054	1.4
175.07562	2.2
176.04662	2.1
177.01833	2.9
177.05478	3.2
178.06174	1.9
179.03403	2.0
180.04230	6.0
192.34822	1.5
193.04961	3.5
195.06548	8.0
214.06282	3.0
215.07143	6.3
225.89903	1.5
241.04955	3.5
242.05836	5.3
243.06635	15.9
244.07300	3.4
255.06480	2.5
256.07468	2.8
257.08200	10.0
258.08917	8.5
266.05695	1.7
267.06631	3.6
268.07642	2.3
269.08475	2.1
271.09753	3.6
272.07004	2.8
272.10501	2.9
281.08160	4.0
282.08945	2.8
285.11288	2.0
290.07889	13.4
291.93933	1.9
295.09695	1.7
296.10672	2.1
300.06479	4.3
301.07190	5.3
304.09558	3.9
314.07977	3.2
315.08707	13.4
316.09537	7.6
330.10971	7.3
348.08566	15.8
362.10080	10.6
467.17230	2.9
480.17862	6.3
489.19315	2.6
519.20135	23.8
523.19781	24.8
538.18695	4.1
553.20825	100.0
554.20807	2.8
685.26611	3.3
745.28870	9.8
775.29761	86.8
776.30322	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	775.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58748	0.7
56.43319	0.7
59.01241	18.2
69.03306	1.2
69.87253	0.8
71.35603	0.8
74.34402	0.9
108.02050	3.2
109.02834	2.7
121.02856	2.9
122.03612	1.3
123.00769	1.6
123.04395	3.0
134.03629	4.8
135.04398	6.5
136.01529	15.0
137.02351	5.5
145.02805	2.4
146.03615	49.2
147.04413	5.0
149.02348	2.8
149.05991	3.5
150.03136	2.3
151.03906	16.9
159.04446	3.3
159.65860	1.0
160.05157	2.3
161.05983	13.8
162.03125	6.9
163.03880	8.5
164.04688	37.1
165.05392	2.3
169.09760	1.1
172.05180	1.2
173.05962	1.4
173.90536	0.9
175.03914	3.1
176.04741	4.0
177.01866	5.1
177.05522	3.2
178.02591	10.0
179.03441	2.0
179.07050	33.0
179.08609	1.8
179.72722	0.9
180.04163	8.3
189.05534	3.8
190.06334	1.8
191.07077	2.8
192.04202	7.0
193.05003	10.1
195.06586	16.1
207.06580	4.4
214.06328	2.2
215.07120	2.9
228.04214	1.9
229.08675	1.2
241.05121	2.9
242.05809	2.6
243.06650	8.0
255.06699	1.9
256.07559	3.0
257.08218	6.9
258.09006	6.0
266.05820	1.3
267.06717	2.0
268.07516	1.5
269.08182	1.7
270.09085	1.0
271.09692	1.8
272.10474	1.3
279.06641	1.3
280.07419	2.6
281.08197	3.9
282.08871	1.7
283.09833	1.3
284.07138	1.3
285.11340	2.7
288.06381	1.1
290.08026	6.4
293.08200	2.0
295.09805	3.4
296.10556	2.6
297.11041	1.7
304.09778	1.4
305.08090	1.0
307.09802	1.2
309.11172	1.7
311.12927	1.9
315.08594	1.3
319.09662	1.4
328.09674	1.4
348.08923	1.3
353.10324	2.0
355.11981	1.6
362.09830	1.3
369.13657	1.4
415.11890	1.3
417.13602	1.8
429.13251	1.4
431.15085	1.9
432.16293	1.3
443.15027	1.2
445.16647	1.4
447.14209	1.6
461.16095	1.7
475.17429	1.5
489.15762	1.2
505.18958	1.3
507.16666	2.0
522.19159	4.0
523.19806	1.3
535.19751	9.4
537.21185	3.8
549.21088	4.8
561.21301	6.3
568.23724	1.3
579.22705	12.8
580.19379	1.7
595.21893	73.6
596.22290	2.8
667.25134	1.7
685.26715	1.7
697.26349	2.3
715.26312	1.3
727.15924	1.4
727.27625	5.9
745.28894	17.2
757.28772	5.7
775.29706	100.0
776.30017	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	775.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04109	0.6
61.41336	0.6
67.14704	0.6
78.81153	0.7
78.95750	1.8
79.95617	0.7
94.92362	1.8
96.84313	0.7
96.92059	3.2
96.95872	100.0
96.96871	2.9
100.79066	0.7
102.33270	0.7
124.06797	0.8
131.96649	0.7
133.54472	0.7
138.22319	0.8
250.37392	0.8
264.53647	0.8
265.14548	0.9
316.00516	0.8
382.12808	0.8
462.00488	0.9
756.76776	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23454	0.4
59.01242	100.0
59.02451	2.0
61.98669	0.5
63.14243	0.6
78.95778	1.3
91.03868	0.6
96.95890	0.5
114.50471	0.5
117.03314	0.8
119.04880	0.9
145.02859	1.8
146.03149	0.9
152.99483	1.1
219.34221	0.7
244.32834	0.6
253.09380	0.9
269.21378	0.7
291.19852	0.9
293.21356	0.7
329.23215	2.7
413.16547	0.7
439.54074	0.7
579.78528	0.6
768.24188	0.6
775.49567	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	775.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38425	1.5
56.22160	1.5
59.01242	100.0
59.02396	1.8
61.98707	11.1
73.84230	1.9
78.95771	2.4
80.45850	1.5
93.33720	1.9
116.93555	1.8
117.36629	2.1
119.04887	3.0
122.31783	2.0
124.54733	2.0
145.02838	1.8
152.99457	2.3
182.61549	2.1
226.17854	2.3
263.24295	2.4
295.74893	2.1
345.27805	3.6
346.28311	3.6
380.85992	2.4
381.51675	2.5
389.26956	6.2
390.27161	3.2
413.96405	2.0
641.46265	5.3
671.31720	2.2
698.01587	2.6
743.44855	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	775.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75098	0.1
59.01242	0.3
61.97496	1.7
61.98692	100.0
62.00070	1.5
71.01232	0.1
72.82314	0.1
77.93010	0.1
88.97213	0.1
89.02302	0.2
90.30439	0.1
99.41663	0.1
129.37967	0.1
139.51851	0.1
165.18626	0.1
234.97339	0.1
237.33913	0.1
406.18198	0.1
498.97110	0.1
565.69366	0.1
715.55060	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	775.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17044	0.7
58.64237	0.8
60.12983	0.6
61.97313	1.6
61.98695	100.0
61.99938	1.7
100.02100	0.8
132.02280	0.8
144.83095	1.0
263.42551	0.9
287.95956	1.0
320.19977	1.2
336.36911	1.0
505.48325	1.2
590.78210	1.0
639.39539	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02831	1.9
70.02841	1.3
71.02368	0.9
71.52460	0.5
73.03915	2.0
74.02324	11.0
81.02044	0.7
82.02831	4.7
84.00816	0.5
84.27247	0.6
85.03936	1.0
86.02331	1.1
87.05483	5.2
96.00765	13.0
97.03940	1.4
98.02341	5.4
99.01849	1.2
104.03389	4.8
109.03943	3.4
110.02351	1.1
111.01855	2.6
111.05511	0.7
112.02660	3.5
112.03899	3.4
113.03440	1.8
124.02608	0.7
125.03441	0.7
126.01828	2.0
126.06578	3.8
127.05008	13.6
128.04553	3.3
129.06577	7.5
129.10193	1.1
130.08633	0.6
137.07092	3.2
138.09094	1.1
139.08646	2.6
140.07054	0.7
141.10188	0.9
142.03783	0.8
143.11786	6.7
144.07671	10.3
151.04927	0.8
153.10185	2.5
155.03195	0.7
155.11787	6.1
158.05998	2.4
160.07552	1.1
163.04942	0.8
165.10226	5.2
166.08725	2.7
167.08104	0.6
168.07741	3.4
168.58139	0.7
169.09758	4.0
170.09302	1.3
171.11317	1.3
173.12839	1.2
179.11829	2.9
180.06168	1.1
180.07698	15.4
181.09741	2.3
185.07074	2.6
186.08798	3.8
187.10799	4.4
197.10446	1.4
197.12918	0.7
198.08797	2.1
203.08214	12.5
203.09973	1.1
205.09723	1.5
209.09268	10.8
209.12910	1.1
213.10207	1.3
215.11464	5.7
220.10867	6.5
222.12451	3.2
223.10831	1.6
227.10484	0.7
230.09369	3.4
239.11461	3.3
240.09904	1.9
240.13496	1.5
246.08821	1.0
252.13493	1.2
256.10880	0.7
257.09729	1.2
257.12546	8.1
267.09848	2.6
270.14832	0.7
284.12445	5.1
314.13663	2.8
330.15604	0.6
348.16782	1.9
357.30475	0.6
419.20471	1.8
461.21558	11.9
521.42291	0.6
671.31903	1.1
689.32520	1.2
746.34637	6.3
758.35535	1.3
776.35895	100.0
777.36377	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	777.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
61.22364	0.4
72.16669	0.4
109.02801	1.0
119.04887	0.6
121.02818	1.0
123.00777	0.5
123.04362	0.6
124.01554	1.9
125.02329	0.6
133.02814	0.7
135.04419	0.5
136.01527	0.6
137.02304	3.2
138.03101	0.7
139.00230	0.5
139.03860	1.2
141.25366	0.5
145.02831	0.6
146.03534	0.8
148.01563	1.1
149.02391	1.2
150.03105	7.6
151.00224	0.9
151.03897	7.6
152.01036	6.5
153.01694	0.5
154.11392	0.5
160.01550	1.0
161.02357	1.8
161.97127	0.5
162.03114	24.8
163.03902	3.3
165.05473	5.8
166.02640	1.5
167.03404	11.7
168.03773	0.5
170.35863	0.4
175.00401	0.6
175.03856	1.0
176.01031	3.8
177.01877	2.9
177.05475	5.5
178.02621	9.6
179.03403	10.0
180.04187	64.2
180.10373	0.8
181.04761	1.0
190.02672	1.1
191.03467	3.5
192.04202	0.7
193.04970	10.7
193.06607	0.7
194.05736	3.4
195.06549	100.0
196.06874	1.6
203.45636	0.5
205.04996	1.0
209.04529	1.1
267.06583	0.6
283.06152	0.7
295.06012	1.2
310.00607	0.5
310.08215	0.7
319.70593	0.5
325.10767	0.7
327.05301	0.7
329.10126	0.6
342.07379	0.6
357.09802	1.5
359.11459	0.9
374.09894	0.7
385.09415	0.8
387.10846	23.7
388.11465	1.0
389.12436	11.6
403.10696	0.5
461.23105	0.5
551.15326	2.2
565.17145	0.9
581.16595	5.0
583.18604	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	777.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44907	0.5
63.63966	0.8
66.71944	1.2
66.72253	0.7
80.31725	0.6
96.99159	0.6
108.02034	1.5
109.02813	1.0
117.03338	0.7
120.02044	1.1
121.02837	1.0
123.00751	0.8
124.01546	5.0
125.02324	1.8
131.01295	1.2
132.02031	1.8
133.02884	0.7
133.31989	0.6
135.04330	0.9
136.01556	0.8
137.02321	3.9
138.03107	2.9
139.00270	1.7
139.03888	4.8
140.01033	0.8
148.01556	2.5
149.02362	1.7
150.03117	9.8
151.00293	3.2
151.03920	9.5
152.01048	29.9
153.01884	3.1
154.02579	1.0
159.00774	2.2
159.04347	0.7
160.01569	5.1
161.02316	4.3
162.03140	19.8
163.03926	3.2
165.05484	5.4
166.02634	3.7
167.03409	44.0
175.00237	0.8
175.03918	2.9
176.01080	17.7
176.04666	1.1
177.01881	4.0
177.05435	3.7
178.01041	0.7
178.02621	14.2
179.03397	5.0
180.04202	50.7
181.04768	1.2
190.02672	3.2
191.03424	15.3
191.07057	1.4
192.04192	1.3
193.04993	17.0
194.02159	2.9
195.06566	67.7
202.02686	1.3
203.03464	1.1
204.04262	0.9
205.05005	3.9
206.05731	1.3
209.04474	5.6
217.05103	0.7
219.06529	1.1
221.07980	0.7
255.80904	0.7
271.02374	0.6
301.06949	0.8
311.05679	0.8
317.76486	0.6
342.07321	1.3
343.08118	0.7
344.09158	0.8
357.09808	2.5
359.11392	2.6
372.08475	1.7
374.10043	4.2
377.95139	0.7
385.09198	2.3
387.10910	100.0
388.11252	2.4
389.12479	39.6
390.12827	0.9
391.21680	0.7
551.15601	1.1
553.17273	2.2
563.14703	0.7
565.17310	1.7
581.16418	2.2
583.18311	14.3
753.88898	0.7
800.97778	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54710	0.4
59.01241	2.2
60.30526	0.9
60.30790	0.4
60.61477	0.4
64.67943	0.5
65.99706	3.6
67.01750	2.7
68.48923	0.4
68.99677	0.8
69.03310	1.3
70.29161	0.4
71.01242	6.6
73.02790	2.9
79.01746	1.1
81.03310	16.2
83.01231	1.2
84.68487	0.5
85.02815	3.2
87.00656	0.4
89.02291	2.6
95.01242	6.6
97.02808	1.2
99.00735	1.9
101.02298	4.9
101.53520	0.5
107.01239	8.2
108.02026	10.7
109.02814	12.6
113.02296	3.4
121.02821	0.9
121.47442	0.4
123.00755	8.2
125.02310	23.7
125.44775	0.5
134.03612	1.0
146.03644	2.1
151.00256	100.0
151.05304	0.9
152.01041	42.7
153.01814	13.9
159.02866	1.1
161.04459	3.4
161.05872	1.0
162.03149	0.5
163.03946	0.6
164.04692	1.0
167.03403	2.0
169.49948	0.5
172.05835	0.5
175.03914	0.8
177.01833	0.5
179.06950	0.6
195.06439	1.1
208.70091	0.5
233.06540	0.7
254.05609	0.6
257.04688	0.5
292.94894	0.6
301.07190	10.0
302.07495	0.5
313.07196	5.7
313.16669	4.7
331.08243	22.3
331.25140	0.5
332.08655	0.5
337.54919	0.5
373.09149	0.7
445.20810	42.5
446.20920	0.8
450.30325	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.7
57.93176	0.3
58.08175	0.4
59.01231	1.3
65.41166	0.3
67.01737	1.4
71.01233	3.0
72.99169	3.1
81.03326	1.4
83.02818	1.4
83.04878	100.0
84.05199	0.6
89.95414	0.4
96.95831	0.8
97.02823	1.7
99.00749	0.6
99.04375	1.4
99.08006	5.3
101.02300	1.2
101.05933	4.9
106.20410	0.5
106.31087	0.4
107.04895	2.2
109.02818	1.8
109.06458	1.7
111.04385	17.4
111.07933	0.4
112.71410	0.4
119.04906	0.5
120.73112	0.4
127.03880	47.8
135.04408	3.8
136.05177	1.4
139.28122	0.4
141.01877	0.6
153.01862	0.8
153.09094	1.0
163.11215	0.6
171.02904	13.6
175.11182	3.3
177.09103	1.0
178.99869	0.6
179.10663	5.1
193.12263	27.7
197.00841	0.7
209.11575	0.5
215.01912	4.5
219.10234	1.4
223.09831	1.6
227.03459	0.5
227.21539	0.4
237.11320	2.4
243.02959	1.2
255.03032	3.7
255.12393	3.8
269.10425	0.4
271.02518	7.8
272.03168	0.6
279.02460	0.5
299.02087	0.6
299.11368	8.1
299.99225	0.7
300.02750	15.1
300.06277	0.8
301.03354	1.1
307.08301	2.0
314.34695	0.5
321.78854	0.5
325.09436	0.7
327.58722	0.4
343.10361	15.9
343.14487	1.0
344.10852	0.5
385.15054	2.8
460.63986	0.5
700.83032	0.5
741.18872	9.6
742.19684	0.9
765.42126	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50378	0.6
55.05841	0.6
55.57984	0.8
56.88990	0.6
78.95771	1.2
82.74004	0.6
85.98113	0.6
103.44635	0.8
107.04893	0.8
119.04892	2.4
121.02869	2.9
122.89307	6.2
128.60048	0.8
128.80426	0.9
132.89719	0.9
134.03539	0.9
135.03146	0.7
152.99548	2.0
161.94623	0.8
194.36516	0.8
195.93800	1.5
196.66040	0.8
198.92717	1.0
210.96207	2.7
214.95610	4.9
218.67932	0.8
222.96304	1.0
226.95535	0.9
265.01086	1.1
279.02417	1.0
297.22357	2.8
299.23682	0.9
306.04773	1.4
313.72568	0.8
319.05579	1.2
387.12021	2.6
389.13425	23.9
390.13843	1.3
405.12671	0.9
407.14499	23.4
408.14551	1.0
419.97684	0.9
433.12387	100.0
434.12891	3.4
571.97382	0.9
713.50476	1.0
740.37445	1.9
741.37775	8.9
777.47327	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19704	0.6
68.16286	0.7
73.33479	0.7
78.95767	0.9
86.54941	0.8
106.04151	1.4
107.04895	1.9
119.04889	11.0
121.02869	3.7
133.06418	3.7
141.64981	0.8
159.15083	0.9
160.51932	0.8
161.09659	1.6
175.11235	1.2
199.16408	1.0
225.47049	0.8
231.17534	1.7
306.00937	0.8
315.52042	0.9
323.23776	3.8
325.25378	47.8
326.25708	1.7
341.24734	2.5
369.24368	100.0
370.24506	2.2
385.23950	4.3
505.49945	1.0
777.47217	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	777.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.5
59.01240	6.3
61.88218	0.2
61.98689	0.3
66.16437	0.2
69.03295	0.7
69.66570	0.9
69.66975	0.5
71.01238	3.7
71.51791	0.3
73.02792	0.5
77.23172	0.3
78.95760	0.3
83.01236	0.6
83.04858	0.3
85.02795	0.9
87.00723	0.6
89.02295	2.9
97.06438	0.4
99.00729	0.3
101.02308	3.1
111.08006	0.5
113.02308	1.9
113.09543	0.5
119.03346	0.7
119.11189	0.2
140.40437	0.2
141.09120	0.4
143.03357	0.3
149.09608	0.9
149.13194	0.3
151.11172	0.7
161.04424	1.4
167.10672	11.6
168.11176	0.3
177.09116	0.7
179.05527	0.6
179.14339	0.8
184.25060	0.3
195.10191	3.2
195.13828	9.3
196.14581	1.3
203.18039	0.9
205.12280	0.9
211.13428	0.4
223.13362	5.5
224.14151	0.4
228.10049	0.4
228.13461	0.4
231.21225	0.6
235.08125	1.2
247.17012	5.0
253.09283	21.0
256.13165	1.7
265.18094	74.8
266.18466	1.7
275.20169	6.6
293.21231	100.0
294.21637	2.5
339.10699	0.3
415.15714	0.4
445.04074	0.3
492.22052	0.8
501.27213	1.3
529.30426	1.8
541.38995	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	777.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01073	0.6
59.01231	4.1
61.98686	1.2
71.01244	3.5
73.02792	0.7
77.16148	0.6
78.95746	1.1
83.64715	0.6
85.02790	1.4
89.02310	1.9
96.82948	0.6
101.02314	4.4
106.25250	0.6
108.08463	0.7
111.08011	2.5
113.02296	1.7
119.03367	0.9
125.09565	1.0
142.47391	0.7
145.04938	1.3
148.80298	0.6
151.07550	1.2
161.04469	1.7
169.08609	11.5
171.10132	1.2
183.10141	2.5
226.98174	0.7
235.08229	8.3
235.17082	1.3
237.15562	0.7
253.09331	13.3
263.16537	6.7
277.21741	100.0
278.22104	2.9
281.17572	19.2
286.59006	0.8
431.10669	1.1
513.30475	1.0
594.96014	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19067	1.0
56.83348	0.8
80.21198	1.1
93.67343	0.9
147.76466	0.9
219.71587	1.1
233.11765	1.7
279.10638	1.2
279.23315	100.0
280.23666	2.3
287.88159	1.0
584.19568	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.532
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04264	2.0
56.93804	1.6
59.80753	2.0
60.73391	2.0
61.61407	1.8
61.90541	1.8
78.95756	5.1
99.08009	7.6
106.04088	2.1
119.04888	12.2
121.02818	7.8
133.06508	2.8
177.56471	2.2
197.11781	4.2
211.13336	3.3
231.17516	100.0
232.17867	5.7
243.17570	4.3
247.17169	3.0
249.18539	10.9
249.85776	2.4
277.21829	3.8
291.19580	3.9
305.63757	2.6
309.20590	9.3
327.26868	15.8
343.26468	34.2
344.26840	3.5
345.28006	5.9
387.25418	56.0
388.25821	9.0
389.26978	95.3
390.27350	2.7
771.06049	2.4
777.42822	2.9
803.86804	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01230	11.8
61.98695	6.3
63.18094	5.3
75.82081	5.5
81.19381	5.4
86.37954	5.2
91.72720	14.2
92.03976	6.0
93.03327	12.5
93.14317	6.7
101.25373	5.9
102.08122	6.2
108.02029	13.3
109.02829	22.7
109.33807	5.3
114.47787	7.2
121.02802	16.7
123.04371	19.5
125.55254	6.2
140.79301	6.5
149.02319	13.7
151.03888	13.1
179.03416	100.0
209.04468	16.0
238.78868	6.6
241.12236	14.5
253.12338	50.8
283.13419	11.8
309.35516	7.8
331.13403	18.0
359.12906	30.0
361.14526	14.4
362.15341	18.6
374.15320	25.4
377.17557	70.1
389.17551	69.9
407.18527	50.7
651.47412	8.4
756.59888	8.9
779.31439	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03825	1.9
69.18363	0.9
81.03329	1.5
83.04864	1.3
83.64046	0.9
83.93049	1.1
85.35459	1.0
91.72714	1.3
93.03307	6.2
93.86456	1.0
95.04896	1.2
107.04889	37.7
109.02783	1.5
119.04897	4.4
121.02803	8.5
133.06415	1.5
148.44737	1.4
152.99606	1.4
160.48230	1.1
199.18607	1.3
202.53893	1.2
235.20766	1.5
238.81322	1.1
323.23950	2.3
325.25415	16.2
343.26419	31.2
369.24374	35.9
370.24753	2.6
387.25443	100.0
388.25720	1.9
418.17108	1.4
779.48816	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	779.5472
Annotation	Unknow
Peak:m/z	Relative Intensity
66.11385	1.7
69.35268	1.6
79.72641	1.6
81.03324	4.0
101.92807	2.0
107.04926	1.9
113.22842	2.1
119.04893	5.4
121.02812	5.8
124.03758	1.5
133.06532	2.3
147.04051	1.9
152.99489	2.2
238.55605	2.1
259.20712	10.6
263.56049	2.2
275.20129	7.7
314.55316	2.1
327.26947	20.6
345.27988	70.1
389.27017	100.0
390.27298	5.3
461.32620	4.5
483.45193	1.9
741.47717	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43182	0.2
68.99676	0.3
76.36890	0.2
82.37756	0.2
92.50694	0.3
93.03314	0.7
96.95903	0.4
101.03845	0.4
108.02045	0.9
109.02815	24.8
109.05825	0.3
110.03139	0.4
110.40751	0.2
119.04903	4.2
121.02805	2.1
122.03626	0.6
123.04375	2.2
125.02350	0.3
129.03337	7.8
130.04109	1.5
131.04927	0.4
131.08954	0.3
133.02902	0.4
135.04388	0.7
141.80534	0.3
145.02847	5.9
146.03625	9.7
147.04405	100.0
147.09015	1.3
148.04736	1.3
158.03636	1.0
159.04413	19.3
161.02327	0.5
161.05994	0.7
179.04567	0.2
203.03394	0.6
223.07683	0.5
241.08839	0.5
251.07085	1.1
252.07867	0.9
254.05850	0.6
267.06610	1.0
268.07104	0.6
269.08212	58.7
270.08533	1.6
313.07202	31.4
314.07443	0.7
318.49112	0.3
355.51645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.202
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01683	0.2
71.01230	0.3
78.93745	0.4
78.95759	32.8
78.97572	0.5
85.02825	0.3
89.02321	0.3
96.94015	0.8
96.95827	2.8
96.96819	100.0
96.99271	1.5
100.15247	0.2
103.39736	0.2
105.92827	0.3
121.92308	0.3
129.74100	0.3
170.94229	0.3
175.02490	0.3
179.16180	0.3
192.60980	0.3
195.02916	0.3
251.29396	0.3
276.98935	0.3
277.03455	0.3
341.10989	0.4
345.11426	0.6
387.55435	0.3
439.08594	29.8
440.09076	1.0
634.45587	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	7.7
60.37426	0.6
61.98687	1.0
75.40546	0.7
77.49850	0.7
91.01762	1.1
93.03326	7.2
96.95865	2.1
105.03312	0.7
107.04881	3.2
108.02015	1.5
109.02827	3.7
113.11916	0.6
121.02818	12.6
122.03622	0.8
123.04399	5.9
133.02806	2.8
134.03600	0.9
135.04347	1.4
145.02776	1.1
149.02312	9.0
150.03127	4.1
151.03893	9.4
161.02315	1.7
161.05978	1.4
162.03079	1.4
163.03894	1.4
165.01906	3.7
165.03119	0.7
177.01860	4.4
179.03409	100.0
191.03436	3.2
209.04497	28.9
250.01627	0.9
265.14755	2.9
379.18793	1.5
390.95737	0.8
409.20276	8.9
781.31598	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	781.324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	8.7
69.03379	0.8
72.81056	1.0
91.01773	1.7
93.02171	1.0
93.03310	4.9
96.95885	2.2
100.89616	0.9
107.04895	3.4
108.02013	1.6
109.02799	5.9
117.28135	0.9
121.02820	16.1
123.04385	7.7
130.42303	1.0
133.02859	2.7
134.03616	1.6
135.04366	2.3
145.02802	1.1
146.03632	1.9
149.02321	7.5
150.03134	5.0
151.03909	9.2
161.02391	2.8
161.05930	1.3
162.03175	2.4
163.03827	1.4
165.01868	2.6
170.27687	1.1
177.01807	5.3
179.03407	100.0
180.03580	1.0
188.00867	1.0
190.06294	1.3
191.03398	2.6
209.04468	25.9
265.14862	2.4
267.13956	1.1
278.93213	1.0
311.12851	3.0
319.97369	1.1
371.15201	2.4
379.19305	3.1
401.16223	2.4
409.20154	17.3
410.20755	1.4
463.43475	1.2
546.86993	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66781	0.9
68.33833	0.7
77.14641	0.8
77.27218	0.7
91.59093	0.8
91.72664	1.4
96.06761	0.8
119.04904	1.5
121.02840	2.4
122.89310	4.6
181.77080	1.0
198.92586	1.2
208.94579	1.6
210.96291	1.7
214.95633	6.1
224.97995	0.9
298.00723	1.2
299.23834	7.5
320.33197	1.0
389.12970	1.2
391.15002	30.1
392.15140	1.3
407.14539	1.6
409.16052	33.8
435.13986	100.0
436.14240	2.4
474.81531	0.9
543.34332	0.9
745.41376	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	781.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	10.4
61.81911	0.6
62.28286	1.1
69.03316	0.7
70.20987	0.8
71.01241	2.2
73.02802	1.2
78.95757	2.8
80.96384	1.8
83.96925	0.8
84.26501	0.7
89.02307	1.4
97.02838	4.1
97.06417	0.9
99.00744	8.5
101.02315	3.4
113.02380	1.0
115.99715	0.7
121.06429	0.8
125.09598	2.4
152.99463	2.5
161.04446	0.9
163.11153	3.9
181.12218	6.2
186.57956	1.1
207.10205	26.9
208.10442	1.0
225.00966	1.0
225.11281	55.5
226.11713	1.4
235.08217	2.0
243.12416	7.2
253.09349	3.1
259.20877	1.1
277.21741	100.0
278.22055	3.2
317.25037	1.4
369.14957	1.2
373.18298	1.8
417.17459	5.5
443.19330	5.3
461.20325	6.5
513.30627	1.1
721.41809	28.8
722.41681	1.8
781.40747	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19588	0.9
57.88441	0.8
58.33865	0.8
59.01241	14.1
59.58441	0.9
62.28301	1.0
65.39716	1.0
65.92390	0.9
69.03318	0.8
71.01241	3.7
76.12709	0.9
78.95758	5.4
80.07739	0.9
80.96373	3.4
82.47254	0.9
83.04871	0.9
85.02805	1.4
87.23698	1.1
89.02286	2.7
96.95852	3.9
97.02808	5.7
97.06468	1.4
99.00727	9.0
101.02302	3.7
112.84245	1.0
113.02285	1.5
125.02357	1.5
125.09595	3.1
135.08160	1.1
142.02582	2.4
152.99496	8.4
163.11130	7.3
181.12236	15.6
197.48737	1.0
207.10205	48.8
219.17477	2.1
225.11279	100.0
226.11597	1.3
235.08185	2.3
243.12393	10.3
253.09386	3.5
268.20010	1.3
268.97919	1.1
277.21725	84.7
280.32764	1.2
293.21558	1.4
299.15042	2.5
317.25043	1.2
345.92038	1.3
363.25388	2.0
417.17468	1.4
435.24786	2.2
443.19278	2.6
461.20313	42.8
463.40897	1.2
626.97119	1.1
721.41705	33.2
781.40759	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	781.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57309	0.3
57.03299	1.1
62.48591	0.3
81.00213	0.6
83.04883	0.6
90.72337	0.4
91.73293	0.5
93.59771	0.4
94.29551	0.4
96.95859	0.7
108.06821	0.4
109.02814	0.5
109.80563	0.5
113.02276	0.6
121.02826	0.5
121.06539	0.4
125.02311	0.6
135.04388	0.7
163.03888	1.2
177.01787	0.8
237.16591	0.5
244.47652	0.4
251.18015	0.5
253.04860	0.5
253.15976	1.0
253.19681	1.0
255.17532	0.6
267.17596	0.6
269.19080	6.6
271.20807	3.7
297.18625	4.5
313.03787	0.7
315.19702	19.4
316.19922	0.7
333.20734	100.0
334.21133	2.5
367.14011	0.5
380.00635	0.5
447.22461	0.9
532.71442	0.5
546.43732	0.5
594.49908	0.5
632.94336	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89562	0.6
68.19975	0.7
87.05477	1.4
87.05942	1.0
106.04082	2.3
107.04901	1.4
119.04901	13.0
121.02816	5.9
133.06451	3.1
143.88716	0.9
161.09633	1.6
175.11229	1.1
189.12794	1.4
203.18671	1.0
327.26953	89.1
328.27301	2.5
371.25928	100.0
372.26208	2.4
387.25330	2.4
394.83188	1.0
620.52460	1.1
716.90240	1.0
781.48932	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59522	0.3
59.01231	1.1
74.09270	0.4
81.01841	0.4
87.54856	0.3
96.95860	1.0
101.02277	0.6
110.72176	0.3
118.12378	0.4
122.31193	0.4
124.46194	0.4
169.40930	0.3
179.14229	0.4
190.69740	0.4
194.35728	0.4
195.13828	7.5
196.14655	0.7
205.12329	0.9
205.16080	0.5
211.13402	0.6
223.13379	5.1
228.13654	0.5
231.21083	0.4
251.20178	3.3
253.09303	0.6
256.13211	2.0
274.65582	0.5
275.20135	4.5
293.21231	100.0
294.21542	1.9
295.88940	0.4
298.93985	0.4
352.67950	0.5
408.89899	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24141	0.4
60.75783	0.8
62.92487	0.4
63.04183	1.0
63.04463	0.6
70.65901	0.5
72.97409	0.7
72.99165	58.6
73.00748	1.0
74.92831	0.4
75.11994	0.5
75.87515	0.4
78.69984	0.4
81.03301	0.8
83.04875	2.4
93.03306	0.6
95.04878	0.7
99.08023	5.8
101.05939	12.9
106.04106	0.6
107.04887	7.2
109.02821	0.8
119.04882	1.4
124.05167	9.5
127.03856	0.7
133.06436	0.5
135.04390	12.7
135.11659	1.4
136.05200	5.7
139.11201	0.8
147.11769	0.6
148.18369	0.5
153.12737	4.9
163.11192	3.5
165.12778	0.8
166.09908	3.0
175.11186	10.8
181.12253	53.5
182.12695	0.7
193.12265	64.8
194.12624	1.5
197.00911	0.8
209.11760	0.9
225.11322	2.3
237.11295	3.7
251.45972	1.4
281.10202	2.4
299.11334	3.0
299.23819	0.5
343.10349	100.0
343.26715	1.2
343.97461	0.5
344.10629	2.2
344.99445	0.6
756.58228	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36503	0.6
55.79514	0.7
60.75814	1.4
63.04205	1.5
71.25732	0.8
72.99164	35.6
83.04929	1.2
84.45103	0.8
91.73393	1.3
95.04917	1.1
99.08015	6.9
101.05942	14.7
106.04111	0.9
107.04900	8.5
112.38672	0.8
113.02370	0.9
119.04921	1.9
124.05170	12.3
124.05992	1.1
125.02350	1.0
135.04402	17.1
135.05327	1.3
135.11699	2.1
136.05168	11.5
139.11209	1.2
153.01820	1.2
153.12752	7.5
163.11177	3.7
165.12901	1.7
166.09921	4.1
175.11189	14.4
181.12257	67.0
182.12576	1.4
193.05455	1.4
193.12273	100.0
194.12665	1.8
219.10258	1.1
225.11324	1.1
237.11247	5.7
242.36302	0.8
251.46132	0.8
255.02924	1.0
269.10361	8.8
281.10291	3.9
299.11432	1.2
299.70871	0.9
325.09286	12.7
343.10352	96.1
344.10788	1.9
383.13388	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11580	1.2
62.63480	1.4
72.62543	1.3
105.26943	1.6
106.04134	1.7
119.04908	8.1
121.02782	3.2
122.03614	18.0
124.01501	1.9
133.06471	2.2
135.04417	6.6
137.02283	3.0
149.09581	1.5
154.02670	1.9
178.00490	1.5
186.94415	1.4
197.18021	1.7
208.11435	1.8
327.26941	42.9
328.27255	18.1
329.27579	5.6
345.27997	85.0
346.28571	1.6
371.25888	43.0
371.94592	1.8
372.26202	23.1
373.26627	11.7
389.27008	100.0
390.27118	2.1
783.51971	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45770	0.3
59.82317	0.3
62.96267	0.6
73.99090	0.3
78.93850	1.4
78.95759	100.0
93.52749	0.4
96.94229	1.2
96.96819	79.1
110.56854	0.4
134.03593	0.5
134.04587	9.0
134.05568	0.8
134.98407	0.7
138.97887	1.1
150.97925	2.0
158.92426	10.3
162.97926	4.1
174.97931	0.7
175.60786	0.4
176.93466	1.3
176.99518	0.6
180.98985	13.7
189.27893	0.4
192.99026	0.8
195.00537	3.0
198.06668	1.5
211.00143	1.1
212.08272	2.3
238.82874	0.6
241.07291	4.0
255.08801	4.7
263.48691	0.4
272.95789	2.5
274.97488	0.5
289.06546	0.4
328.04623	0.5
346.01257	0.8
346.05588	28.5
408.01102	3.0
437.08691	38.9
438.08688	0.7
517.05884	1.9
784.15082	13.8
785.15723	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02257	0.7
65.00173	0.9
71.24205	0.9
93.03310	0.4
103.93819	0.3
107.01220	1.8
108.02067	1.0
108.10788	0.3
109.02827	0.4
114.58190	0.4
114.58860	0.4
118.85210	0.4
121.02848	0.7
125.02216	0.4
131.72009	0.4
133.73846	0.4
134.03595	0.9
135.00706	0.7
136.72919	0.4
144.88272	0.3
148.01556	1.7
151.00249	8.1
161.02361	0.6
163.00267	1.1
164.01045	0.9
169.01366	0.6
178.99779	5.8
183.04623	0.4
187.03951	0.5
193.04904	0.4
199.03932	1.0
203.03497	0.5
205.84526	0.4
207.96577	0.4
211.03941	0.8
215.03505	0.8
226.02687	1.5
227.03398	2.9
230.01762	0.4
243.02974	12.2
244.03482	0.5
245.26196	0.4
254.02243	1.8
255.02971	26.9
256.03400	0.7
271.02493	61.4
272.03223	3.5
273.04074	0.4
299.01974	5.5
300.02759	100.0
301.03442	12.3
314.04309	0.7
355.04700	0.5
474.00629	0.4
591.13831	1.7
609.14667	30.8
610.14612	0.9
623.16278	0.8
652.80353	0.4
785.19403	36.2
786.19775	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21483	0.9
63.02250	1.0
68.36368	1.1
84.95968	1.0
90.14558	1.1
94.78358	1.2
107.01243	3.8
125.02382	1.2
145.02820	1.7
151.00258	13.9
163.00229	2.2
168.13719	1.3
171.27948	1.3
178.99745	9.9
184.93182	1.3
187.03915	2.9
197.89751	1.4
199.03967	2.7
203.03423	9.6
205.41473	1.2
215.03450	7.4
217.01550	1.9
231.02998	6.9
243.02953	14.0
255.02950	1.9
258.01724	2.5
259.02435	19.1
261.19336	1.2
270.01831	2.2
271.02490	26.0
285.04059	2.1
286.01230	5.7
287.01996	44.4
288.02448	1.4
290.51981	1.4
295.74915	1.4
300.02814	4.2
301.03598	4.6
307.31180	1.3
315.01480	93.1
316.02151	9.8
329.02896	4.3
330.03833	100.0
331.04587	13.4
331.73590	1.5
424.71118	1.6
455.88269	1.5
609.15509	2.3
621.15448	2.3
639.15698	45.8
785.19379	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	785.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.3
62.06972	0.3
62.22909	0.3
63.02253	0.5
65.00188	1.1
69.03885	0.4
70.00417	0.3
71.24232	0.7
71.24577	0.5
72.13529	0.3
83.01237	1.1
87.00751	0.3
103.59299	0.4
104.42004	0.4
107.01254	2.4
108.02031	1.2
109.02888	0.5
110.64911	0.4
111.71491	0.3
114.58150	0.4
114.58868	0.4
121.02833	1.2
121.08700	0.3
122.61353	0.3
124.01520	0.4
125.02366	0.4
134.03627	0.7
135.00763	0.9
148.01550	2.3
151.00249	8.9
160.01532	0.4
161.02341	0.5
163.00272	1.3
164.01060	1.2
165.15733	0.4
169.01357	0.9
175.03886	0.7
178.99770	6.8
187.03902	0.8
191.07149	0.4
192.00577	0.7
199.03928	1.4
201.01884	0.5
203.03427	1.2
211.03958	0.6
215.03406	1.2
215.05264	0.4
216.04265	0.6
226.02617	1.9
227.03477	3.0
228.03914	0.4
243.00487	0.7
243.02974	14.2
244.03537	0.8
254.02203	2.3
255.02972	29.4
256.03461	0.9
258.01599	0.4
259.02426	2.3
270.01633	0.4
271.02490	65.6
272.03088	4.3
283.02591	0.7
284.03085	1.0
284.25424	0.4
285.04007	0.7
286.01025	0.5
287.01947	3.6
299.01996	6.1
300.02753	100.0
301.03464	10.6
314.04257	0.7
315.01541	8.0
315.05093	0.6
316.02084	0.7
330.03796	7.6
331.04425	1.1
355.04617	0.4
379.53339	0.4
429.08450	0.8
591.13452	1.7
592.14172	0.4
609.14648	33.5
610.14508	1.3
623.16119	0.8
639.15692	3.5
785.19354	36.5
786.19696	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	785.207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93666	0.7
71.01242	1.2
72.99175	4.4
73.02808	1.6
95.48145	1.0
96.95919	1.0
108.02035	3.1
109.02835	1.3
119.04855	1.1
121.02861	1.2
121.06409	1.0
122.27251	1.0
123.04431	1.2
133.06648	1.0
134.03645	1.0
135.04309	1.2
135.20697	1.0
137.02284	1.3
142.50920	1.2
147.04393	1.2
153.01852	1.9
157.24954	1.0
163.11188	20.3
163.63805	1.0
164.11629	1.1
165.05501	1.3
167.03445	2.1
174.68649	1.0
175.04004	1.0
175.11200	1.2
187.13409	1.4
193.12329	1.9
205.05023	1.2
209.04544	2.6
209.11836	1.5
219.10263	3.2
233.04620	1.5
237.11211	2.0
241.07236	1.7
243.13789	1.2
251.09187	2.9
261.14978	1.9
289.44662	1.0
298.04773	1.3
313.07422	1.6
325.09308	9.4
331.08130	6.9
343.08435	1.3
349.09244	1.6
349.13065	1.8
361.06808	24.1
367.14029	13.1
395.13766	2.2
423.13016	37.6
423.18771	2.1
424.13675	1.6
459.10675	100.0
460.11002	4.8
474.42657	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	1.6
65.00178	2.4
74.08169	0.9
74.34959	0.9
77.54534	0.9
77.58564	1.0
78.56174	0.9
78.95751	2.4
95.01220	1.1
107.01268	1.4
108.22292	1.0
109.99957	4.4
111.00727	3.8
123.00745	1.5
133.37852	1.2
136.98666	1.9
137.99454	1.7
139.00281	6.9
149.02325	1.7
151.00241	4.0
152.01070	2.6
159.04369	1.6
161.02309	1.6
163.00264	1.1
164.98123	1.7
165.98999	8.8
166.99747	2.6
171.04428	4.1
175.04056	1.2
178.99779	3.8
183.04308	1.2
186.03098	1.7
187.03862	4.7
189.01993	1.0
193.98474	2.3
199.03966	1.6
201.01952	1.5
202.02640	1.8
203.03430	4.0
213.01871	3.6
214.02663	3.0
215.03377	10.7
217.01389	1.6
225.01913	1.3
226.02437	1.2
227.03392	2.3
231.02945	5.6
240.99237	1.6
241.01363	7.9
242.02167	11.1
243.02911	8.8
245.00926	1.8
253.01315	1.8
255.02945	1.9
256.03888	1.5
257.04575	3.9
258.01700	8.9
259.02475	12.7
269.00854	2.3
270.01694	10.6
271.02573	7.0
272.03241	1.3
273.04022	5.3
274.04807	1.6
284.03140	1.9
285.04047	13.9
286.01266	9.0
286.04318	2.0
287.01990	52.6
287.05270	3.1
298.01370	5.7
299.01917	4.0
300.02780	3.0
301.03543	18.1
302.04306	21.5
313.03540	17.8
314.04248	2.3
315.01505	33.1
315.05023	3.3
316.02228	3.6
329.02930	4.1
330.03809	51.1
331.04578	10.6
623.16705	1.6
767.20764	1.5
785.21527	100.0
785.33948	3.4
786.21466	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	785.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13320	0.1
59.01231	0.4
63.02262	0.5
65.00190	0.4
71.01215	0.2
72.99165	0.3
73.02788	0.2
75.46984	0.1
76.71830	0.1
78.95757	0.2
83.01241	0.5
87.00723	0.1
90.88155	0.1
93.58221	0.1
101.02283	0.1
104.56495	0.2
107.01223	1.4
107.61021	0.3
107.61614	0.1
108.02030	0.4
111.00822	0.2
124.01508	0.4
125.02319	0.6
134.62724	0.1
135.04396	0.2
136.01469	0.3
137.02351	0.2
147.00801	0.3
147.04370	0.1
148.01558	0.6
149.99458	0.4
151.00264	6.0
152.00964	0.2
153.01868	0.3
163.00285	0.8
164.01054	1.1
165.01801	0.2
169.01335	0.7
171.04430	0.2
178.99780	0.5
183.04448	0.3
184.05202	0.4
185.02341	0.3
186.03154	0.4
187.03934	0.3
189.05591	0.2
190.99800	0.2
192.00417	0.2
198.03175	0.6
199.03934	1.7
200.04709	0.4
201.01842	0.3
202.02579	0.3
203.03456	0.4
204.04408	0.3
211.03987	0.3
214.02689	1.3
215.03429	0.9
216.04196	0.4
217.05103	0.2
219.06534	0.3
226.02643	0.7
227.03447	2.9
227.05524	0.3
228.04262	0.7
229.01466	0.3
239.03487	0.2
241.01443	1.2
242.00288	0.2
242.02187	11.5
243.02974	13.0
244.03709	1.2
245.00916	1.8
254.02274	1.1
255.02992	7.1
256.03619	0.6
256.06390	0.1
257.04532	2.4
259.06131	0.5
267.03033	0.2
270.01715	18.4
271.02496	21.7
272.03226	2.4
282.01633	0.3
283.02374	0.7
284.03436	0.3
285.04068	9.9
286.04721	1.6
287.05597	1.2
295.02405	0.3
297.04062	0.3
298.01202	4.3
298.04651	0.3
299.01987	21.3
300.02756	42.2
301.03223	1.0
310.04874	0.2
311.05502	0.5
312.02811	0.4
313.03561	37.4
314.04340	29.7
315.05118	93.6
316.05444	2.0
327.05081	0.5
328.05771	0.3
329.06531	0.5
339.05106	0.3
341.08792	0.2
342.03879	0.3
357.06177	2.4
421.20871	0.2
461.07251	1.0
476.09625	2.8
477.10416	3.5
553.32526	0.2
623.16235	100.0
624.16602	3.7
665.16638	0.7
785.21515	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	785.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34101	1.4
57.59246	1.3
59.01242	23.3
61.98684	4.3
68.13156	1.5
71.01234	7.5
72.98787	3.2
72.99167	43.6
73.02816	15.1
75.00731	3.1
83.01266	3.6
83.04887	1.7
88.98661	2.1
95.04890	2.4
101.02310	12.0
108.73152	1.9
113.02295	4.1
123.04410	2.5
125.02329	7.3
131.03363	1.8
136.10568	1.9
139.03882	4.3
149.04437	2.8
161.04417	3.6
165.12764	2.4
182.97020	2.2
193.12267	3.7
193.24550	1.8
198.58604	1.7
227.03674	2.2
229.15834	2.4
231.17581	14.2
233.15451	4.7
247.16995	3.7
255.03029	6.5
257.15497	11.6
263.13025	4.4
271.02466	6.7
275.16574	19.5
284.03217	5.0
285.03864	3.1
293.17618	19.9
300.02722	9.6
319.15524	16.9
337.16599	100.0
361.16464	3.2
411.16653	69.9
537.82465	1.9
609.14996	3.1
650.01123	2.2
785.19348	2.9
785.33942	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	785.3548
Annotation	RA IV
Peak:m/z	Relative Intensity
71.01255	1.6
83.04664	1.5
86.58602	1.3
91.72694	1.3
93.03346	1.5
93.46524	1.3
100.63390	1.3
101.05974	1.7
123.04423	3.8
151.73924	1.4
199.23709	1.7
217.12277	2.4
230.61151	1.4
232.07425	1.6
233.08176	1.9
241.64151	1.4
245.11830	2.5
259.09927	2.5
292.07483	1.7
302.39963	1.5
305.11642	1.5
375.12274	2.2
405.13098	1.8
785.35455	100.0
786.36444	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	785.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32400	1.8
55.58105	2.2
59.01242	2.5
61.98694	5.2
63.04300	3.2
67.29723	2.9
78.63091	2.3
85.45702	2.3
91.72730	2.3
107.43321	2.4
108.02065	5.2
109.02836	7.3
113.41724	2.8
121.02861	5.9
122.03614	3.9
123.00761	2.5
123.04385	7.0
124.01550	3.5
136.01546	4.7
146.03595	2.7
147.04413	6.5
149.02383	4.5
150.03128	10.1
151.03897	6.7
158.03673	4.8
159.04454	17.2
160.05203	61.7
161.05978	18.3
163.03929	6.8
164.04689	8.1
173.05989	6.8
175.03586	2.5
175.07558	43.2
177.05524	8.7
178.06271	21.4
179.07088	2.7
192.07858	4.8
193.08604	5.0
198.45934	2.4
205.04985	2.9
221.32938	2.6
236.84686	2.3
241.12447	4.9
253.12405	7.9
277.08832	3.6
297.11539	3.7
315.12418	7.3
327.12411	9.8
329.13992	100.0
330.14301	4.7
331.13495	3.5
339.12268	3.3
357.13467	5.7
357.59134	2.9
359.12811	4.9
361.14465	10.1
362.15533	9.2
363.16113	4.9
374.15558	12.0
377.17636	37.5
389.17587	25.6
395.18573	9.1
407.18634	35.7
425.19824	4.6
485.15796	2.7
522.24731	2.6
737.33411	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	785.355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45602	1.3
56.46913	0.6
59.01238	0.8
61.98687	4.2
65.89956	0.7
67.37157	0.7
78.95762	2.1
84.24948	0.7
84.25701	0.7
87.90698	0.8
108.02047	2.1
109.02795	1.7
116.92710	1.3
118.78584	0.8
121.02817	4.3
122.03600	3.9
124.01508	0.8
136.01541	76.0
137.02255	2.7
149.02287	1.2
150.03156	1.5
151.03900	100.0
153.01706	0.9
159.04430	1.4
160.05164	1.9
161.06015	1.0
162.03149	2.6
163.03896	1.7
164.04646	1.2
165.05493	1.2
175.03938	1.4
175.07520	2.4
176.04782	1.9
177.05487	1.3
179.03380	2.3
187.03873	1.3
211.09465	0.9
216.35187	0.9
226.48680	1.0
267.06610	2.1
312.10010	1.2
325.10974	1.6
327.12460	5.7
336.13589	1.0
342.11047	5.7
345.13443	1.3
351.16089	4.6
357.13477	87.0
359.72644	0.9
369.17041	1.2
397.20261	1.2
427.21289	8.0
442.32660	0.9
639.10193	0.9
762.77478	1.0
785.35565	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	785.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01219	1.9
61.98696	4.0
76.24526	1.6
93.03305	2.3
99.17078	1.5
108.02050	1.7
109.02802	4.3
119.06618	1.7
119.07526	1.7
121.02803	9.8
122.03609	18.0
135.04393	2.2
137.06003	4.6
145.02863	2.0
146.03618	52.9
147.04431	2.4
149.06018	2.7
150.03117	6.3
151.03899	2.2
155.98773	8.2
161.05946	16.4
163.03893	3.7
164.04704	34.5
165.05434	7.9
168.99594	2.6
175.03923	6.7
176.04677	16.9
179.03490	2.9
179.07043	70.1
180.02725	3.1
180.04199	42.9
190.06306	3.5
191.07088	19.5
192.04224	3.9
194.05803	3.3
195.06557	100.0
195.56311	2.2
207.06596	5.6
291.55994	2.2
327.12381	6.8
345.13434	5.5
363.16046	1.9
375.14380	8.2
379.19131	3.3
392.48489	1.9
409.20178	18.9
577.37122	10.0
605.27173	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	785.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	4.2
64.09223	2.5
73.40417	2.5
84.12204	2.6
91.73373	6.3
96.95834	6.7
108.02039	4.3
109.02869	4.3
112.69341	2.5
121.02832	14.0
122.03592	14.7
123.04426	4.7
136.01604	3.4
145.58641	2.8
146.03609	59.1
149.05940	3.3
150.03148	6.8
151.03864	3.0
161.05992	22.4
164.04689	46.2
165.05519	6.5
175.03926	10.6
176.04689	22.6
179.03488	3.3
179.07045	100.0
180.04182	39.7
191.07056	38.6
194.05824	8.2
195.06549	94.1
198.90205	3.5
207.06628	11.3
244.06705	3.1
315.12305	4.9
318.22894	3.4
327.12381	20.2
345.13519	9.2
375.14432	6.8
409.20142	37.4
469.18005	4.0
497.85776	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	785.5132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96316	0.7
61.80848	0.7
87.56038	1.5
105.90857	1.0
106.04101	1.9
110.36622	1.0
112.40258	1.0
119.04891	5.8
120.28561	0.8
121.02801	4.8
133.06445	1.1
133.30919	0.8
136.01915	1.1
189.12775	1.1
217.15681	1.1
267.72861	1.0
329.28516	100.0
373.27499	85.4
373.32401	2.2
422.09189	1.0
526.07898	1.1
663.58038	1.1
785.51257	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	75.6
59.02431	1.6
61.98677	3.6
72.38890	1.2
77.80827	1.3
87.49939	1.6
107.40342	1.3
115.02368	4.3
117.00305	8.4
137.09488	1.3
138.36627	1.4
157.03481	2.1
159.01389	100.0
160.01526	13.0
161.01088	13.4
176.98013	3.0
178.97726	2.0
201.02478	43.4
201.85115	1.5
202.02686	8.4
203.02220	6.7
259.01578	3.7
277.86218	1.6
301.02661	90.6
302.02768	25.5
303.02499	35.5
308.21771	1.4
318.99655	1.8
343.03723	7.1
344.03796	3.1
345.03644	3.3
615.34131	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	787.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00182	0.4
75.13097	0.6
75.13483	0.4
107.01236	0.7
118.18488	0.5
125.02323	0.9
125.39930	0.5
135.00790	0.4
137.02304	0.7
143.04915	0.5
151.00255	4.9
159.04379	0.8
163.00267	1.1
164.01117	0.5
166.67619	0.3
167.03447	0.3
171.04378	0.5
173.02364	0.5
175.00241	0.8
175.03850	0.5
178.99796	1.3
187.03920	0.9
192.00551	0.5
199.03996	0.6
201.01917	0.3
203.03389	1.5
212.49536	0.3
213.01872	0.9
215.03404	2.7
217.01456	0.5
219.02882	0.5
231.02980	2.3
241.01419	1.1
242.02223	0.8
243.02950	4.1
259.02451	6.3
270.01666	0.7
271.02478	5.3
287.01978	56.4
288.02380	1.3
297.00418	0.4
305.06699	0.4
315.01477	100.0
316.02194	12.6
317.03021	8.4
318.03333	0.3
326.60651	0.3
329.03070	0.4
478.07529	17.6
479.08179	2.7
623.10345	0.4
625.14093	5.1
650.44867	0.5
742.13116	0.4
787.19470	58.0
788.20166	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	787.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00970	2.7
59.01244	34.0
59.02353	1.2
71.01248	5.0
73.02789	2.6
83.01244	3.3
85.02801	2.4
87.00725	1.3
89.02279	2.4
93.03316	1.6
96.95860	2.9
98.76671	1.3
101.02319	6.0
107.01250	3.2
111.39888	1.4
113.02353	2.1
115.00244	2.0
117.03276	1.4
121.02840	2.6
125.02280	1.7
137.02332	2.1
140.22932	1.6
151.00284	13.5
161.04434	3.1
163.00337	1.6
164.01108	1.8
165.05397	1.8
175.02353	3.9
178.99831	8.6
195.06300	2.2
211.03979	2.2
227.03441	15.3
230.02306	2.6
243.02960	11.7
254.02220	2.7
255.02974	53.7
256.03479	2.2
258.01807	4.3
271.02505	66.0
272.03070	4.6
283.02386	1.9
284.03287	35.4
285.03986	11.3
286.01199	14.6
299.01999	5.7
300.02756	100.0
301.03491	24.2
301.49823	1.7
302.03360	1.9
307.17633	8.2
314.00696	3.7
329.03040	72.8
330.03802	2.4
344.05463	8.9
345.06134	1.9
349.18704	10.9
469.51013	1.9
507.11435	71.8
591.13574	4.0
593.15259	4.3
609.15143	3.4
647.16284	6.6
665.16864	9.2
755.18463	2.5
757.19574	3.1
769.19928	19.0
787.21021	32.9
788.21600	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	787.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25658	0.8
56.08306	0.7
59.01243	75.5
59.02404	1.2
61.98693	1.5
69.81318	0.9
71.01235	1.2
73.85660	1.1
73.86028	1.0
84.02006	6.2
91.01734	3.6
93.03310	17.4
95.04864	2.2
107.04890	4.7
108.02050	4.9
109.02812	6.6
117.03300	1.1
121.02821	31.1
122.03584	1.8
123.00675	1.1
123.04388	15.9
133.02827	6.7
134.03621	3.0
135.04402	3.4
136.01544	8.1
136.05200	1.2
137.02318	1.5
145.02827	3.0
146.03633	2.9
147.04393	3.4
149.02336	17.2
150.03093	8.2
151.03908	26.6
158.03613	2.3
159.04379	6.3
160.03987	1.8
160.05193	18.2
161.02339	4.1
161.06039	6.2
162.03099	4.2
163.03911	5.4
164.04733	2.3
165.01855	6.4
167.76727	1.0
173.05968	2.6
175.07526	13.2
177.01848	6.4
177.05470	3.6
178.02679	1.7
178.06212	5.7
179.03410	100.0
180.04013	1.1
191.03458	6.4
192.07805	1.5
193.08607	2.6
195.06522	3.3
195.08096	2.4
206.20250	1.1
207.05913	1.1
209.04462	7.8
219.92017	1.0
222.06967	1.1
239.07114	6.8
249.05452	1.8
249.95415	1.0
251.07050	1.5
252.04381	1.3
254.05887	2.7
255.06584	1.7
259.96100	1.1
263.07068	1.2
265.05048	1.3
266.05917	1.4
267.06625	19.0
268.07297	2.1
269.08304	5.0
279.06409	1.8
280.07446	1.9
281.08124	2.8
281.11597	1.3
282.09052	16.4
282.12576	3.0
283.06119	2.7
283.09341	2.1
285.15060	1.3
291.33813	1.2
295.09659	3.0
297.07761	2.4
297.11237	3.2
297.14615	1.7
298.08533	2.5
306.08743	1.8
314.08038	15.3
321.11316	5.3
322.08554	1.8
323.09213	2.5
325.07162	2.4
329.10400	1.5
329.13925	29.1
340.09503	17.7
341.09940	1.1
342.11185	1.1
355.11896	53.4
357.13522	6.4
379.19357	1.3
391.19147	1.4
397.20200	8.1
409.20248	18.7
416.59937	1.6
427.21326	11.7
517.18768	2.7
531.16333	5.0
561.21313	6.2
565.16913	17.5
577.20831	91.6
578.21106	2.2
579.22870	1.3
727.27393	1.6
787.26141	47.3
788.26166	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24205	0.7
58.78469	0.8
59.01232	2.4
61.98679	2.1
64.18875	0.8
64.52689	1.0
89.21381	0.9
97.45699	0.9
108.02047	2.4
109.02782	1.0
115.46450	0.8
121.02803	10.3
122.03604	11.3
123.04398	2.1
134.03571	1.5
135.04416	2.0
137.05968	3.2
137.07050	0.8
145.02754	1.3
146.03621	47.4
147.04404	3.3
150.03110	4.1
151.03880	1.5
154.02512	1.2
155.82587	1.0
161.05977	13.1
161.66685	0.9
162.03072	1.2
163.03915	2.6
164.04686	31.4
165.05460	8.5
175.03922	5.5
176.04684	14.2
177.05421	1.1
179.07051	63.6
180.03009	0.6
180.04193	35.6
191.07065	19.8
192.04202	5.3
194.05794	3.8
195.06557	100.0
196.06958	1.8
207.06544	6.1
312.10059	1.2
315.12329	5.5
327.12369	12.2
345.13452	4.1
348.83670	1.2
375.14420	4.8
377.17612	1.4
387.96692	1.2
411.21820	8.5
425.05496	1.1
453.97839	1.1
502.70190	1.2
607.29175	4.6
652.42914	1.3
727.34808	1.8
739.34753	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59320	1.2
59.01229	2.0
61.58095	1.0
63.28999	0.8
65.21301	0.9
66.14341	0.9
66.45963	1.0
68.72212	1.0
69.62246	0.9
78.95739	1.2
97.25939	1.0
108.02032	2.4
109.02804	1.6
121.02814	10.3
122.03603	16.4
123.04340	1.5
134.03625	2.3
135.04388	1.8
136.01465	1.6
137.05931	3.2
145.02837	1.9
146.03616	44.6
147.04356	2.1
150.03078	3.6
151.03891	2.0
154.02611	2.1
161.05989	14.5
162.03091	1.7
163.03891	2.7
164.04688	29.8
165.05463	6.9
172.05209	1.2
173.28134	1.3
175.03934	3.4
176.04716	9.9
179.03514	3.3
179.07048	65.4
180.04192	39.8
191.07071	12.0
192.04269	3.9
194.05682	6.5
195.06561	100.0
207.06549	5.2
216.94597	1.4
244.60500	1.4
248.21478	1.3
280.25714	1.4
315.12347	2.5
327.12378	8.7
345.13339	1.5
375.14331	5.4
387.07626	1.4
411.21689	4.5
554.61255	1.3
607.29102	4.2
756.55640	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32207	0.6
56.04576	0.8
57.03305	3.0
57.03558	0.9
60.32018	0.7
81.03313	4.1
83.01238	16.9
87.83950	1.0
93.03337	2.6
95.01237	2.0
107.04902	1.4
109.02810	8.1
111.04366	3.8
113.56893	0.8
121.02812	4.7
123.00729	3.3
123.04404	1.6
124.01550	4.0
125.02312	100.0
125.06088	1.2
125.51360	1.1
131.04886	1.1
133.02856	2.0
134.03552	1.4
135.04407	2.0
137.02319	22.7
138.03120	2.2
139.03893	9.9
149.02359	6.5
149.05957	2.2
151.03926	5.9
151.47105	0.9
159.04443	2.1
161.02345	2.4
162.03113	1.5
163.00276	2.2
163.03926	6.1
164.01112	6.0
165.01837	12.1
165.05501	2.5
166.02605	1.0
167.03397	11.0
174.03145	2.0
175.03941	6.7
177.01843	55.6
177.05510	2.8
178.02470	1.4
179.03415	8.5
187.03894	3.6
189.01860	2.9
189.05513	2.2
189.15384	1.1
191.03401	2.4
191.07089	1.1
193.04994	1.2
199.03854	1.2
201.05450	1.4
203.03418	2.7
204.04227	1.7
205.01364	1.1
205.04962	1.7
215.03468	2.4
215.07018	1.2
217.01436	1.7
217.05013	2.2
219.06535	7.3
221.04549	4.4
221.08180	1.4
227.03406	1.9
228.04311	1.1
229.04964	4.1
243.02907	4.4
243.06642	1.6
245.04445	4.8
255.03050	7.7
256.03751	3.4
257.04529	2.5
259.06247	1.1
261.03934	1.5
261.07700	2.7
267.02982	1.0
269.04425	2.4
283.02576	6.4
285.04080	2.7
287.09158	1.1
297.04138	4.2
299.05475	1.3
303.05154	1.7
305.06659	56.3
305.10327	41.0
306.06894	1.1
306.10406	1.1
309.03775	1.2
315.04984	1.9
321.03937	1.1
331.08130	1.6
355.08105	2.6
397.09103	2.1
423.07288	21.6
441.07855	1.3
452.86157	1.0
453.11917	5.8
461.08609	1.5
478.19724	1.2
483.13864	10.0
503.70743	1.0
543.37909	1.2
603.15186	24.2
621.16174	15.0
789.19897	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	789.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	4.2
59.59923	1.4
59.84560	1.4
68.66536	1.6
71.49680	1.5
72.99186	1.6
83.01231	16.1
88.98664	5.2
93.03329	3.3
97.02795	2.2
109.02816	5.9
111.04387	4.5
121.02829	5.4
123.00755	2.5
123.04408	2.0
124.01557	3.0
125.02317	100.0
131.12334	1.9
137.02322	21.5
138.03125	3.2
139.03911	13.1
147.04372	3.0
148.01900	1.7
149.02315	5.3
151.03909	4.2
161.02292	3.2
163.03944	5.8
164.01077	4.7
165.01819	13.5
167.03403	13.1
175.03926	5.7
176.00978	2.4
177.01848	54.5
177.05449	1.9
179.03448	10.3
181.05095	2.1
187.03947	3.7
189.01892	2.2
193.05022	2.2
203.03487	2.8
205.01430	2.6
212.48990	2.1
217.04994	3.1
219.06563	5.7
221.04526	4.5
229.05048	4.7
243.02991	3.4
245.04607	5.0
255.03036	7.5
257.04480	3.4
257.95691	1.8
265.31723	1.8
283.02588	5.2
297.03906	2.8
302.28061	2.0
303.05182	2.1
305.06659	49.8
305.10318	47.8
357.06119	2.0
397.09097	2.4
423.07211	22.7
441.08057	2.5
453.12009	6.3
483.12939	6.9
577.16858	2.2
603.15222	27.7
621.16571	16.7
789.20190	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	789.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48096	0.2
58.56111	0.3
59.01235	0.3
60.97845	0.3
60.99169	13.3
72.99174	0.2
83.01205	0.2
87.00732	4.3
87.41296	0.2
88.00272	1.7
88.01062	0.9
88.96303	1.2
88.98659	100.0
89.00695	1.2
89.02297	17.5
89.04354	0.3
89.99007	0.3
91.72681	0.5
92.36047	0.2
100.58927	0.3
125.02337	1.0
146.03654	0.4
166.44418	0.2
177.01859	0.7
179.07108	0.9
191.07115	0.4
195.06635	0.6
255.02919	0.3
271.45526	0.2
305.06754	0.7
305.10086	0.4
375.14474	2.0
537.19952	0.4
720.37268	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	75.0
69.23842	2.0
86.48695	2.0
87.82819	1.6
96.95872	2.5
108.02044	7.3
109.02818	80.3
116.92725	2.3
119.56715	1.8
121.02815	4.8
123.00735	3.3
123.04392	11.0
134.03569	2.7
136.01543	46.5
137.02310	3.1
138.03093	3.1
146.03580	3.4
147.04414	3.3
148.01556	11.8
149.02338	5.9
150.03093	8.6
151.03911	38.9
153.05475	14.1
163.03902	30.6
164.01024	10.2
164.04756	2.5
165.01817	7.8
165.05453	3.3
166.02612	55.9
167.03398	6.8
177.01921	2.7
178.02646	9.8
180.04210	2.3
181.04990	80.8
193.05003	13.6
195.06601	2.8
195.08163	2.7
199.31259	2.0
211.06058	6.9
228.28133	2.1
238.06317	2.7
239.07181	10.1
258.05371	2.7
265.05133	2.4
267.06619	16.8
268.07037	3.4
269.08191	9.4
279.06570	5.1
282.08951	13.9
283.06250	2.8
283.09543	2.9
297.07693	3.2
306.09033	2.8
314.07907	17.5
321.11212	3.1
323.09177	2.9
339.12286	3.6
340.09656	20.9
350.66064	2.1
355.11905	53.2
356.12186	4.6
373.12979	9.0
517.18231	2.8
533.18152	11.5
567.18726	35.5
577.20795	100.0
578.21185	9.0
595.21912	13.0
729.25842	2.5
789.27716	79.6
790.27600	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	789.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	54.5
59.02483	1.1
66.89053	0.9
68.33791	0.8
68.34152	0.9
69.52113	0.9
89.54229	1.0
96.95894	1.3
103.73625	0.9
109.02776	1.5
111.78803	1.5
117.43340	0.9
121.02837	1.4
123.04366	1.6
134.03596	1.9
136.01543	4.4
137.02295	1.5
145.02867	1.3
146.03607	10.2
147.04385	1.4
149.05984	1.3
150.03117	1.1
151.03914	3.9
161.05986	2.8
162.03151	6.4
163.03984	2.0
164.04718	4.8
175.03969	1.8
177.05508	4.1
178.02693	1.4
179.07034	4.5
193.04851	1.0
201.05527	1.4
202.61278	1.1
219.06804	1.1
228.04298	1.1
229.05069	2.8
230.05731	1.8
240.04123	1.1
241.05038	2.5
242.05748	2.0
243.06538	1.2
245.04614	2.9
253.04816	1.2
254.05727	1.8
255.06702	2.2
256.07440	1.3
257.04645	5.2
258.05371	6.9
267.06641	2.1
269.04648	5.4
269.08102	0.9
270.04990	1.9
271.06290	5.2
271.09207	0.9
272.06952	2.8
273.07623	4.0
281.04596	1.6
281.08157	1.3
282.05457	2.2
283.06018	3.7
284.06891	10.4
285.07758	2.2
290.04318	3.0
293.04697	1.2
297.07715	2.8
299.05881	1.3
299.09247	3.8
302.07962	1.6
303.08664	2.1
308.06863	1.9
309.07874	1.4
313.07178	2.2
314.07968	1.1
315.08765	2.0
316.05887	12.2
316.09424	1.7
323.09177	4.1
327.08798	1.7
328.05920	1.3
328.09290	1.5
329.10239	2.1
331.08252	16.6
342.07419	7.7
343.08212	4.8
343.11823	1.9
345.09787	1.5
357.09833	36.4
358.10321	1.6
362.10028	2.0
372.08835	2.9
375.10446	1.1
387.10883	7.6
390.11133	1.1
405.12451	3.0
409.68213	1.1
463.13678	1.7
464.14841	1.4
473.16528	1.6
475.66211	1.0
478.16214	2.0
503.17178	2.0
507.16769	2.2
533.18341	13.8
537.17609	2.2
551.19385	10.6
553.17255	3.3
567.18787	46.4
568.19440	1.9
579.18982	6.4
609.20032	7.4
627.20941	4.3
660.89880	1.1
789.27747	100.0
790.27808	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	789.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48284	0.3
58.99978	1.5
59.01242	100.0
59.02327	1.4
60.01582	0.4
61.98689	1.9
64.87008	0.4
69.03338	0.5
71.01239	2.8
73.02818	0.4
74.88228	0.4
78.95734	0.6
81.23476	0.3
85.02795	0.9
87.00726	0.6
88.44343	0.4
89.02293	2.9
97.02811	1.8
99.51211	0.4
101.02316	2.3
113.02299	1.3
119.02592	0.4
119.03378	1.5
125.02328	1.2
141.01579	74.7
150.89626	0.4
153.01540	0.4
171.61011	0.4
179.05525	0.5
181.97517	0.4
183.72144	0.4
235.08134	1.2
243.04832	1.0
249.18588	8.1
305.08868	0.5
331.18933	6.4
397.13553	15.6
415.14618	3.9
417.73978	0.5
419.11725	2.4
437.12769	4.9
469.06555	0.6
473.29117	1.5
543.71375	0.5
556.47565	0.5
612.76111	0.4
647.33618	2.2
669.30750	5.5
716.24567	0.5
756.71753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00053	2.0
59.01242	100.0
59.02589	1.1
60.06895	0.4
61.98695	1.9
71.01236	3.0
73.02819	0.9
73.26048	0.4
85.02776	0.6
87.00750	0.7
89.02290	3.1
96.95834	0.6
97.02820	1.7
101.02305	3.4
113.02299	1.5
119.03370	1.1
125.02338	1.1
140.97203	1.0
141.01579	74.4
143.03314	0.5
153.01505	0.6
154.56410	0.5
179.05350	0.7
235.08150	1.2
238.06989	0.5
243.04825	0.9
249.18576	9.2
253.09236	0.6
281.02795	0.5
331.18890	7.9
369.67175	0.5
397.08408	0.9
397.13507	16.2
409.78528	0.5
415.14517	2.9
419.11694	3.6
437.12811	5.7
469.06210	0.7
473.29034	1.6
530.66766	0.5
647.32391	1.9
669.30988	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	789.493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87956	0.8
58.29266	0.8
59.01242	2.7
59.09750	0.8
62.41574	0.8
63.83035	0.8
75.21581	0.9
78.95770	2.0
86.20837	0.9
105.42435	0.8
108.02029	11.5
121.02819	16.8
122.03599	8.1
134.03632	1.7
152.01091	1.5
152.99495	1.3
191.14339	7.9
219.13850	32.4
244.94923	1.1
251.51692	1.0
316.24042	14.8
317.24854	95.2
318.25192	4.6
331.26480	4.3
343.26459	1.3
349.23959	1.9
359.25919	4.0
361.23828	100.0
361.27576	8.1
362.24246	3.6
373.27850	1.0
387.25647	2.2
405.26459	62.2
406.26791	3.6
535.21710	1.1
603.55560	1.1
628.22290	1.2
789.49261	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	789.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03286	0.2
59.01236	0.7
66.00873	0.2
71.01248	0.4
73.02832	0.2
74.92775	0.2
87.00713	0.3
89.02316	0.3
91.73373	0.2
96.95878	0.1
99.08008	1.2
101.02281	0.2
114.00475	0.2
114.38240	0.2
115.00254	0.5
124.70468	0.2
129.09090	0.5
141.12715	1.3
142.57048	0.2
155.14310	0.4
167.10692	1.1
175.02357	0.9
195.10225	0.3
203.45804	0.2
211.13268	0.2
216.30316	0.2
221.19032	0.3
239.19980	0.3
241.21721	0.7
247.16992	0.6
247.28194	0.2
253.09297	1.7
265.18106	6.6
269.21234	2.0
285.20700	1.3
287.08646	0.8
287.22296	100.0
288.22623	1.6
501.26917	0.6
507.83972	0.2
753.58618	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	790.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19196	0.8
56.30170	0.8
59.01229	3.2
62.90496	0.9
65.99701	1.8
68.01257	1.8
68.99668	3.4
71.01202	1.1
82.37450	0.9
84.00731	1.2
98.02299	1.6
99.00736	9.2
102.39190	0.9
109.01537	3.3
110.02355	6.3
111.03124	8.1
112.00270	8.8
114.01805	1.8
120.04392	4.8
121.06465	1.5
124.00272	35.5
134.06013	1.1
135.09190	1.4
136.07553	1.6
142.01302	1.3
145.07597	5.1
147.04399	2.5
147.05450	1.6
147.09189	1.3
148.03923	31.2
150.05470	5.0
159.05548	2.1
159.07988	1.7
159.09167	7.2
160.03938	14.1
160.06248	5.9
160.07417	1.3
160.99181	1.4
161.04720	70.2
161.06891	1.8
162.05489	4.9
173.03253	30.4
173.07085	2.4
174.04179	5.2
174.05540	2.9
175.05034	39.8
175.06238	2.5
175.08641	17.8
176.05836	6.0
176.07085	1.2
184.02373	5.7
185.07005	1.2
186.05519	2.2
187.06308	4.1
187.08653	2.8
188.05785	5.8
188.07245	1.3
189.06628	1.4
190.07367	4.3
191.08147	2.3
200.07106	2.1
201.09251	3.2
202.03810	2.3
202.08748	11.2
203.04579	17.3
203.08199	30.6
205.06201	1.4
206.46579	1.0
215.06009	1.3
215.08235	4.5
216.10226	1.3
217.05997	1.7
217.09709	1.4
226.08656	2.2
227.07133	1.6
229.07463	2.9
231.07709	51.5
232.08469	11.3
233.05760	1.9
233.09277	42.4
241.09779	1.4
242.08200	5.0
243.07681	2.2
244.09792	57.6
245.05696	3.5
245.09587	3.4
248.04428	2.2
261.08789	14.9
262.09171	1.4
263.10364	20.4
264.07510	3.4
281.09262	1.5
285.08771	2.1
286.09583	2.2
287.10394	1.6
288.08768	4.8
292.10730	11.3
293.11697	5.4
295.11096	2.5
305.11591	2.7
321.10913	100.0
322.11462	8.3
323.12479	59.3
324.09702	17.2
324.13370	3.0
336.09973	2.9
338.11447	4.6
375.12000	14.9
396.15750	10.1
422.17050	2.1
466.16153	5.4
467.16556	2.4
468.17755	14.5
567.21277	1.3
609.22241	3.4
627.23114	46.7
628.23749	3.4
718.27191	1.8
730.27301	1.4
772.28516	4.7
790.29468	81.9
791.29376	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	790.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01227	5.1
59.77055	2.9
61.45047	3.2
62.26644	3.2
66.48236	3.3
71.01237	4.1
71.16171	3.3
88.94505	3.9
96.95876	56.7
99.00725	11.0
105.78883	3.8
106.06488	3.8
111.03141	6.0
116.93903	3.5
124.00309	28.5
137.07201	3.7
138.77281	4.2
148.03896	24.0
150.05486	9.6
154.55167	4.2
155.21959	4.3
159.09178	5.8
160.03885	7.0
160.06317	4.8
161.04729	61.3
173.03200	21.4
175.02608	4.7
175.05048	32.8
175.08702	13.1
176.05666	4.5
189.06606	5.7
190.07379	4.3
193.16142	4.4
202.08704	8.4
202.57407	3.8
203.04630	13.0
203.08228	25.6
231.07686	45.9
232.08553	5.7
233.09296	26.5
244.09846	40.8
261.08774	8.1
263.10419	13.4
292.10818	5.6
293.11359	4.8
300.02835	13.0
306.07837	11.0
321.10938	100.0
321.14722	5.5
323.12445	59.7
324.09595	12.6
324.13028	5.5
338.11276	5.5
375.11978	11.2
396.15533	7.6
406.84311	4.4
466.15973	8.4
468.17297	9.6
505.65152	4.8
566.21631	4.5
622.54114	4.8
627.23016	42.1
790.29297	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	790.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01227	5.1
59.77055	2.9
61.45047	3.2
62.26644	3.2
66.48236	3.3
71.01237	4.1
71.16171	3.3
88.94505	3.9
96.95876	56.7
99.00725	11.0
105.78883	3.8
106.06488	3.8
111.03141	6.0
116.93903	3.5
124.00309	28.5
137.07201	3.7
138.77281	4.2
148.03896	24.0
150.05486	9.6
154.55167	4.2
155.21959	4.3
159.09178	5.8
160.03885	7.0
160.06317	4.8
161.04729	61.3
173.03200	21.4
175.02608	4.7
175.05048	32.8
175.08702	13.1
176.05666	4.5
189.06606	5.7
190.07379	4.3
193.16142	4.4
202.08704	8.4
202.57407	3.8
203.04630	13.0
203.08228	25.6
231.07686	45.9
232.08553	5.7
233.09296	26.5
244.09846	40.8
261.08774	8.1
263.10419	13.4
292.10818	5.6
293.11359	4.8
300.02835	13.0
306.07837	11.0
321.10938	100.0
321.14722	5.5
323.12445	59.7
324.09595	12.6
324.13028	5.5
338.11276	5.5
375.11978	11.2
396.15533	7.6
406.84311	4.4
466.15973	8.4
468.17297	9.6
505.65152	4.8
566.21631	4.5
622.54114	4.8
627.23016	42.1
790.29297	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	791.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86810	0.8
68.85448	1.1
86.98789	1.0
90.12287	1.0
93.03330	1.0
96.95844	1.2
107.01229	1.8
147.68008	1.0
148.01529	2.1
151.00237	6.4
160.46924	1.0
169.01266	1.1
178.99780	4.6
208.50052	1.2
227.03439	2.3
243.02977	8.4
254.02205	1.5
255.02951	24.8
265.14948	1.6
271.02490	47.4
272.03149	3.2
299.02069	3.4
300.02753	100.0
301.03339	10.5
316.81610	1.3
339.94357	1.2
380.32849	1.2
438.18106	1.4
609.14722	21.1
615.67938	1.3
735.76398	1.5
755.18622	41.1
756.18127	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	791.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
62.36912	0.5
63.68844	0.5
65.00187	1.1
70.22341	0.5
71.24239	1.0
71.24569	0.6
83.01269	0.6
100.52693	0.6
106.12058	0.6
107.01244	2.0
108.02023	1.4
112.87841	0.9
112.88506	0.7
117.70274	0.6
119.04893	0.7
135.00836	0.8
145.02809	1.3
148.01556	1.6
151.00247	7.7
155.10944	0.7
158.68727	0.6
163.00253	1.0
163.03813	0.8
169.01485	0.6
178.99800	4.9
199.03929	0.9
203.52301	0.6
215.03433	0.9
226.02583	1.6
227.03496	2.3
243.02950	9.6
254.02211	2.1
255.02986	25.6
260.29529	0.6
271.02496	54.9
272.03180	3.4
299.02017	4.6
300.02765	100.0
301.03488	12.0
424.08951	0.6
591.13324	1.2
609.14648	26.2
610.15155	1.3
755.18286	50.1
756.18604	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	791.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02277	0.5
67.35130	0.6
71.13310	0.5
75.42393	0.4
76.99131	0.4
77.54737	0.4
83.01250	0.6
84.74261	0.5
85.82041	0.4
88.59995	0.5
93.02773	0.6
93.03304	1.1
96.95879	0.7
99.41924	1.0
99.42554	1.2
107.01268	0.8
125.02311	0.6
127.40215	0.5
128.03426	1.1
130.89577	0.6
137.02420	0.5
143.04567	1.1
150.85976	0.6
151.00256	3.5
163.00284	1.0
166.00996	0.6
166.85774	0.5
173.02376	0.8
173.04445	0.8
179.03415	0.6
183.04434	0.8
185.05943	1.1
201.35970	0.6
211.03984	1.6
213.05576	1.0
227.03461	11.1
229.04919	2.9
239.03532	0.6
241.04968	1.1
255.02991	40.0
256.03693	1.6
257.04526	2.3
267.03091	0.8
269.04520	0.6
281.04819	0.8
283.02502	49.6
284.03265	37.2
284.06503	1.1
285.04068	100.0
286.04675	0.6
298.04968	0.7
299.05588	0.8
306.07651	1.8
326.04169	0.8
327.04929	2.8
338.81241	0.6
342.15033	0.6
352.54895	0.6
446.08652	6.1
447.09198	1.0
593.15192	86.8
755.20557	25.5
755.31738	0.4
774.30908	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.9
59.73116	0.3
71.01228	1.2
76.87350	0.4
77.21655	0.4
85.48968	0.5
89.02287	1.5
95.01247	0.5
102.13175	0.4
123.00748	9.3
125.02314	1.6
137.02339	0.5
138.03105	12.7
143.99477	0.5
153.05440	6.1
166.99768	10.5
182.02124	45.5
183.02452	0.6
196.97389	1.1
197.04482	100.0
198.04865	2.1
205.51863	0.4
214.00264	0.6
229.85338	0.4
233.06589	0.6
237.72826	0.4
250.35272	0.4
293.08807	3.2
359.09735	2.8
388.62427	0.5
431.15598	0.7
515.02069	0.5
562.39368	0.5
614.63586	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99953	0.9
59.01244	63.0
59.02393	1.1
62.56298	0.7
63.46851	0.6
69.63892	0.6
70.29849	0.7
71.01238	0.9
92.45631	0.6
96.95903	1.0
108.02049	3.8
109.02795	1.0
111.68082	1.3
121.02806	1.3
122.03596	1.8
123.00725	1.0
123.04390	7.4
124.01524	0.9
133.02823	1.0
134.03625	1.8
135.04379	3.6
136.01540	4.3
137.02357	1.2
145.02817	2.2
146.03624	38.5
147.04404	4.0
148.05211	1.0
149.02264	1.1
149.05862	1.1
151.02814	0.7
151.03848	4.6
159.04414	0.8
161.02313	1.3
161.05965	13.0
162.03104	4.9
163.03929	8.8
164.04691	30.2
165.05458	1.4
170.99998	0.7
172.05234	0.7
173.05971	1.1
175.03934	2.4
176.04694	3.8
177.05519	2.2
179.07062	31.4
180.04202	2.5
187.07545	2.4
191.07053	2.0
192.04214	6.8
193.04988	1.3
195.06540	2.8
195.08131	1.0
197.05919	0.8
199.07649	2.0
204.04178	1.0
207.06569	9.8
211.07605	2.0
213.05473	1.1
214.06430	1.0
215.07074	11.5
217.04996	0.8
219.06548	1.0
221.06108	0.9
223.07642	1.1
224.04678	0.9
225.05525	2.2
227.03474	1.2
227.07191	1.0
228.04291	3.0
229.05019	1.6
229.08571	1.1
230.05873	2.4
231.06525	1.1
239.07127	5.9
240.07838	1.4
241.05128	2.5
242.05887	2.5
243.06610	19.6
244.07404	2.2
245.08200	2.4
249.05627	1.1
253.05060	1.0
253.08612	0.8
254.05731	1.0
255.06657	2.2
256.07614	1.3
257.08270	3.5
258.08929	10.5
259.09717	1.6
265.05008	1.2
267.06631	10.7
269.08167	1.9
271.05905	1.1
272.07016	1.4
273.07852	3.8
273.10974	1.1
276.06363	1.2
281.08038	1.8
282.09045	7.5
283.06323	1.7
283.09613	1.3
286.04962	2.0
286.08301	0.9
288.06500	1.1
290.08005	14.7
297.07889	1.0
297.11401	2.6
299.09195	2.3
300.06326	0.9
301.07227	13.0
303.08716	3.8
311.09283	1.3
314.08154	3.5
315.08658	2.9
316.09525	18.8
317.10257	2.8
329.10376	3.2
330.10980	1.8
331.11899	14.7
340.09491	1.5
341.72791	0.9
345.09848	1.2
348.08542	25.2
355.11798	5.8
362.10062	2.8
374.10159	2.3
389.12460	37.5
390.12759	1.0
498.62891	0.8
502.15787	1.0
521.18268	1.4
535.19800	37.7
539.19238	6.0
551.19196	4.2
561.54230	0.8
569.20337	47.2
570.20618	1.1
611.21368	23.8
713.26813	1.1
761.28418	4.0
773.28723	2.2
791.29358	100.0
792.29822	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	791.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.6
57.03302	0.5
59.00065	1.9
59.01244	100.0
59.02585	1.1
60.01602	0.4
61.98696	0.7
63.57337	0.6
65.60893	0.4
68.43282	0.5
69.03295	0.5
71.01240	14.3
71.04899	1.3
73.02808	5.1
75.00716	0.5
81.03331	0.8
83.01247	2.1
85.02804	6.7
85.38231	0.4
87.00748	1.2
89.02294	5.8
93.03336	1.8
95.01265	0.9
96.95882	0.5
97.02805	0.9
99.00757	1.4
99.29842	0.4
101.02296	10.7
111.04366	0.6
113.02315	6.9
115.03879	9.4
117.01827	0.5
119.03389	2.3
123.90812	0.4
127.11169	1.0
128.03299	0.4
129.01819	0.5
143.03389	1.1
151.00278	0.8
155.03452	0.5
159.02808	2.0
161.04468	4.2
173.04459	6.1
175.02379	0.8
179.05569	1.2
187.09706	0.4
191.14302	2.9
212.31277	0.5
235.13315	2.6
253.14397	2.0
255.03087	1.9
271.02469	4.6
271.04782	0.4
289.16599	11.0
289.19586	0.6
291.19797	0.7
295.15591	0.6
300.02789	7.7
300.05731	0.4
301.03519	1.0
331.17712	5.3
382.02094	0.4
415.19617	5.4
462.37018	0.5
514.74591	0.5
573.18433	0.5
609.15021	1.8
617.31708	3.3
755.17944	3.3
791.37524	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	797.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29729	0.3
62.52354	0.2
65.55145	0.2
70.49720	0.2
72.99167	2.1
83.98894	0.2
86.29436	0.3
87.55693	0.3
91.05370	0.4
92.50729	0.4
93.03281	0.4
95.04853	0.2
105.03313	0.6
108.02027	0.6
109.02815	20.7
113.02303	1.0
119.04898	4.3
121.02814	3.4
122.03593	0.7
123.04379	2.1
125.02308	0.6
129.03331	8.4
130.04112	1.3
131.04916	0.6
133.02826	3.7
134.03621	2.0
134.77066	0.3
135.04401	9.0
137.02354	0.5
141.01813	0.8
145.02850	5.0
146.03622	7.1
147.04404	100.0
147.09294	1.1
148.04776	0.9
148.15535	0.3
158.03642	1.1
159.04419	16.2
161.05899	0.3
163.11165	0.8
173.02338	0.3
173.04558	0.5
177.01903	1.9
178.02583	1.5
179.03416	4.7
185.05937	0.3
191.10724	0.6
203.03510	0.5
221.11816	0.5
231.13956	0.4
251.07121	0.8
252.07877	0.9
259.13419	0.6
268.07367	0.7
269.08206	45.7
270.08533	0.8
285.19962	0.3
313.07199	32.3
321.13684	1.4
347.92294	0.3
357.15594	0.5
365.12466	0.6
383.13547	3.3
393.75635	0.3
411.12903	0.8
438.98441	0.3
439.12488	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	797.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68876	0.1
57.10342	0.1
59.01247	0.1
59.24282	0.1
60.37907	0.1
65.06830	0.1
69.94174	0.1
75.92855	0.1
78.95765	2.5
79.95589	1.9
96.93029	0.7
96.95872	100.0
96.96761	5.1
96.98326	1.6
98.02322	0.3
100.88165	0.1
121.32904	0.1
131.17108	0.1
132.91869	0.1
349.14902	0.2
390.10504	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	797.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47447	0.4
61.59026	1.4
61.59347	0.8
71.01250	0.4
72.99156	2.3
75.99590	0.4
78.50492	0.4
93.03317	1.4
93.81525	0.4
99.08012	10.8
101.05936	10.4
107.04890	7.8
109.02837	0.6
113.02290	0.5
118.04122	3.9
119.04891	0.9
123.04411	0.5
125.02277	1.1
135.04395	13.8
136.05173	9.3
147.04430	0.7
162.03134	0.6
163.11125	1.2
165.12794	0.8
173.09537	0.6
175.11180	12.2
177.09061	0.7
179.03375	0.5
191.10692	2.1
193.12267	56.6
194.12637	0.7
207.10260	0.7
219.10191	3.2
237.11255	0.7
242.53549	0.5
277.29648	0.5
283.12097	0.7
307.08246	2.0
315.89890	0.5
325.09293	100.0
326.09717	1.0
357.11887	1.7
383.13638	1.6
500.11578	0.6
580.14233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78222	0.9
63.35185	0.9
69.03296	1.7
72.99164	13.3
73.02795	2.7
75.55351	1.0
76.83318	0.9
79.96769	1.0
85.02824	2.7
87.00749	1.7
87.04376	2.1
88.28349	1.1
97.02803	2.0
104.06306	1.0
107.04932	1.1
109.02812	5.5
113.02302	14.7
115.03809	1.2
121.02820	4.4
121.06479	2.1
123.04356	1.3
125.02312	4.2
125.09583	1.6
127.03880	3.1
134.03575	2.0
135.04387	1.7
136.05220	1.5
137.02324	2.7
137.05956	1.3
139.03915	2.2
141.01785	5.8
141.92007	1.2
143.03362	4.4
146.03627	3.8
147.04391	14.0
148.05197	3.2
149.05983	11.8
149.09637	4.1
151.11156	2.6
158.07230	1.8
159.04440	2.9
160.05165	4.4
161.05992	3.4
162.06705	1.6
163.03799	2.1
163.11148	1.2
165.05481	2.4
171.04378	1.9
175.03922	2.9
175.07587	4.9
177.05460	2.2
178.06239	2.2
179.10693	3.0
181.12268	2.9
186.06789	5.0
193.05116	1.9
204.11525	5.0
205.15909	4.2
207.10095	1.7
207.43460	1.1
215.14297	8.6
217.12317	1.4
217.16000	2.5
231.10199	2.0
231.13933	3.2
232.11098	3.4
233.15463	16.3
243.13870	14.1
259.13489	2.8
261.14984	13.7
263.12900	1.3
268.07153	1.6
269.08240	1.6
277.14496	4.2
279.16019	2.7
283.09720	4.1
284.10547	8.0
287.12894	19.2
299.12979	2.1
305.13950	23.4
307.11874	1.7
329.13953	19.9
331.11887	1.9
349.09012	2.3
349.12946	30.6
367.13992	100.0
368.14328	3.0
373.12970	25.3
395.13425	7.0
423.12979	42.2
424.13501	1.6
636.55029	1.5
650.88892	1.4
707.04694	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01920	0.5
57.22515	1.2
57.22794	0.6
61.98700	1.1
63.85352	0.7
73.90447	0.6
85.81866	0.7
93.29443	0.7
96.95847	2.0
108.01992	0.9
109.02828	2.2
121.02842	1.6
122.03592	1.4
123.00779	1.4
136.01538	49.6
137.02336	7.4
149.02298	1.3
149.06044	0.9
151.00293	7.2
151.03893	60.4
152.01010	0.7
152.04588	1.2
157.92221	0.7
159.04407	0.9
160.05196	0.9
162.03105	1.2
163.03897	1.3
164.04678	0.9
165.01866	0.9
166.02606	27.7
167.03389	2.3
175.03825	1.0
177.01826	2.0
177.05348	1.0
178.02557	0.7
179.03384	1.7
180.04228	1.6
181.04973	32.8
184.03748	0.9
188.04773	0.8
191.03554	1.0
195.06593	2.7
205.05026	1.2
265.14911	1.4
292.49649	0.9
329.10330	3.1
341.13910	1.1
357.09784	14.0
357.13541	2.7
372.12134	8.8
373.12741	1.2
387.14514	100.0
388.14566	1.4
409.20227	6.2
485.91849	0.9
497.69403	0.9
649.96313	0.9
680.37592	0.9
819.97424	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64180	1.4
61.98689	2.6
108.55805	1.6
109.02862	2.7
116.05775	1.7
136.01546	51.0
137.02287	8.9
149.02335	2.0
151.00340	3.6
151.03893	67.7
152.04720	1.9
166.02588	13.3
167.03392	1.8
177.05453	3.0
181.04979	24.3
209.49025	1.9
217.60713	1.8
245.00717	2.0
279.71121	1.9
329.10416	4.2
357.09787	23.2
372.12085	9.2
387.14526	100.0
388.14880	3.4
463.09000	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21835	0.3
57.03291	0.9
59.00972	0.5
59.01241	7.7
61.28448	0.4
67.01734	1.4
71.00870	0.6
71.01243	6.9
72.99139	1.2
73.02800	0.6
74.56723	0.3
77.83778	0.4
78.95756	3.5
83.01231	1.3
85.02805	22.9
85.74209	0.8
85.74678	0.7
86.98590	0.4
87.00731	25.5
96.96812	0.5
108.91007	0.4
111.00717	0.7
112.98655	1.4
113.02225	0.5
115.00234	19.3
119.04884	0.6
129.01811	3.8
152.98332	0.6
152.99472	7.0
157.01318	23.3
175.02383	9.5
202.71835	0.4
203.14278	0.9
217.15961	0.4
231.17445	1.2
231.38507	0.5
233.22685	0.4
247.16974	6.1
277.21729	45.1
278.22079	1.1
284.62131	0.6
287.19739	0.4
299.23804	8.7
300.23776	0.4
301.25375	0.7
315.23151	0.9
317.24881	4.1
361.23862	23.1
362.24304	0.7
435.23895	100.0
436.23865	2.4
451.13330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30787	0.3
69.96860	0.2
71.86950	0.3
78.07649	0.6
78.08043	0.4
78.95774	1.2
84.88493	0.3
88.55550	0.6
88.56024	0.3
92.02515	0.4
99.07997	0.3
106.04066	1.6
107.04879	3.1
108.02058	0.3
116.92726	1.0
119.04897	9.5
121.02820	3.9
123.20219	0.4
133.06462	2.3
137.02312	0.4
152.99466	2.2
161.09660	0.5
163.03889	0.4
175.11240	0.5
189.12827	0.5
203.14264	0.5
211.61122	0.3
217.16022	0.3
229.15831	0.4
231.17520	13.2
243.17532	0.4
257.19101	35.9
258.19568	0.6
267.17429	0.4
271.20615	0.3
286.28098	0.3
309.22156	0.3
323.23901	1.4
325.25378	32.9
326.25488	0.5
343.26306	2.1
363.25394	0.5
387.25430	100.0
388.25830	2.2
409.23532	0.7
411.25510	0.6
797.50049	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	797.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88835	0.2
56.14193	0.4
60.29818	0.7
69.50301	0.3
71.01263	0.3
77.26989	0.4
78.94000	0.6
78.95759	40.6
78.97705	0.6
81.88715	0.3
85.02824	0.3
85.86931	0.3
87.00718	0.7
90.12209	0.3
96.96817	5.4
105.27487	0.3
106.09252	0.3
115.00212	0.5
119.04921	1.1
121.02810	0.5
135.36044	0.3
150.97893	1.4
152.94791	1.1
152.99472	100.0
153.04840	1.1
153.99808	0.7
157.01453	0.3
166.91110	0.3
167.14703	0.3
171.00545	3.9
203.14354	2.7
215.46953	0.3
219.13863	2.5
226.11156	0.3
236.37730	0.3
277.21671	1.0
281.24759	1.6
299.23801	6.7
315.23349	0.7
317.24854	3.7
361.23859	15.7
362.24136	0.8
434.23914	0.4
435.25159	45.0
436.25424	0.9
629.03339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.1
75.32138	0.4
80.96378	4.2
91.06446	1.2
91.07050	0.7
92.02547	0.3
94.97956	0.8
97.06461	0.3
99.08031	2.0
103.12368	0.5
106.04099	1.9
106.97983	0.4
107.04890	1.0
108.02053	0.4
111.08052	0.4
113.09589	8.3
119.04905	5.7
121.02816	3.5
127.11181	2.1
133.06490	1.6
134.97476	0.6
148.99055	0.5
152.99509	0.6
164.98552	1.0
203.14310	3.2
215.14433	1.6
217.15945	8.3
225.00671	1.8
229.15956	5.9
231.17497	8.8
243.17569	1.4
245.19102	6.8
257.19110	0.5
259.20633	3.1
289.21753	0.6
325.25452	1.4
343.26443	59.4
344.26883	1.3
387.25446	100.0
388.25668	1.8
409.23398	0.5
715.13934	0.4
797.43292	6.6
798.43280	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	45.3
63.39567	1.8
71.01237	23.7
82.95269	60.1
83.02357	27.3
83.97807	1.9
84.00237	4.7
84.00761	100.0
84.02669	2.3
84.94987	2.9
85.02823	4.3
85.52383	1.8
85.87136	2.0
89.02290	34.0
90.68863	2.1
92.83440	1.9
101.02303	16.5
104.91192	2.0
113.02303	10.9
114.64180	2.2
119.03367	22.7
161.02390	2.2
161.04475	4.9
179.05530	11.8
225.22258	7.5
246.49110	2.4
271.22787	6.4
482.76303	3.2
532.47473	29.8
550.48468	13.7
712.53809	73.7
780.51221	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	797.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08133	2.1
69.44160	2.5
71.01278	3.0
78.95765	4.0
78.98428	4.1
79.95605	4.7
80.96381	21.7
91.33121	2.5
91.72727	6.1
94.97938	4.3
100.53846	2.7
106.97937	3.4
107.04850	2.7
116.24999	2.6
119.04906	3.0
152.99521	4.7
164.98555	7.2
196.25085	2.9
225.00697	8.0
231.17476	28.3
247.16998	14.9
327.26944	33.0
343.26385	6.7
345.27917	12.9
387.25510	10.5
389.21912	5.2
389.26993	100.0
390.27591	4.1
393.37833	3.3
535.61523	4.0
797.43585	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	799.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	3.5
65.00204	0.7
66.50036	0.6
68.13486	0.8
71.01231	2.2
72.99146	1.3
73.02792	2.4
76.76310	0.7
79.32810	0.7
82.38211	0.9
83.01244	0.9
85.95235	0.6
91.72689	1.7
96.95878	2.0
101.02294	0.8
102.74268	0.8
107.01194	0.8
115.00194	1.8
116.92720	1.8
117.01788	1.9
117.03320	6.5
119.03403	1.3
119.04897	4.3
133.06392	0.9
145.02837	28.9
149.05934	1.5
151.00215	2.5
156.74217	0.8
163.03923	4.9
164.94896	0.8
175.02452	3.8
177.05562	1.4
178.99736	1.7
179.10661	1.1
182.22983	0.8
182.42668	0.8
187.03906	0.9
199.03954	0.9
202.02690	1.8
203.03377	2.2
214.02618	1.3
215.03493	1.5
223.09767	1.3
227.03430	2.3
230.02225	8.1
231.02893	1.6
242.02177	1.6
243.03020	3.6
255.02975	3.2
256.03568	1.6
258.01663	10.9
259.02444	6.9
270.01663	2.7
271.02487	7.7
274.00995	1.0
284.03226	2.9
285.04047	3.8
286.01181	31.0
287.01993	15.3
301.03537	23.6
302.03995	1.1
314.00668	6.6
315.01465	33.9
315.04846	1.5
316.01846	1.3
329.03033	100.0
330.03812	68.0
330.07913	1.0
331.04044	1.5
344.05368	9.9
345.06177	17.8
351.14520	2.3
354.03833	1.2
368.14111	1.5
544.79834	0.9
635.15997	3.9
653.17346	50.9
654.17493	2.3
742.19873	1.1
780.00696	1.0
799.20941	50.7
800.21198	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	799.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54914	1.1
59.01239	9.2
59.29452	1.0
61.50852	0.9
62.77176	0.9
71.01240	13.0
72.99170	1.7
78.95757	1.3
80.15176	1.4
85.02786	2.1
87.00736	25.3
87.82027	1.0
91.72633	1.3
103.23733	1.1
112.33201	1.2
115.00232	52.6
128.44284	1.2
132.07634	1.3
136.07574	2.2
142.08556	1.1
175.02388	100.0
175.08475	1.5
185.12711	1.2
547.23737	1.9
623.25549	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	799.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	7.5
57.31446	0.5
59.01233	2.8
59.80998	0.4
68.99664	1.0
69.02502	0.5
69.03322	1.4
71.01241	1.5
71.04874	1.7
72.34675	0.5
72.99150	0.7
73.02815	1.7
79.05412	0.5
81.03313	2.5
83.04886	3.5
85.02806	1.1
85.06448	1.9
87.00749	0.8
87.04372	3.1
89.02290	0.6
95.04894	3.0
96.69204	0.6
96.95861	0.5
97.02802	6.2
97.06453	4.0
98.03610	4.0
99.04376	8.5
101.02296	2.0
107.04902	1.7
109.02810	4.9
109.06465	5.8
110.03675	0.6
111.04397	3.2
111.08006	6.2
113.02287	1.6
113.05940	4.1
119.03432	0.5
119.08522	2.9
121.06442	5.7
122.03592	10.9
123.04361	2.4
123.08035	2.6
124.05163	13.7
125.02290	1.4
125.06010	3.3
125.09589	48.9
126.03127	0.7
126.06698	0.6
126.09926	0.8
127.03860	1.3
127.07518	2.8
135.04393	1.0
135.08047	2.4
136.01534	0.7
136.05206	2.3
137.05963	14.0
137.07022	0.9
137.09605	1.7
139.07524	100.0
140.07872	1.4
141.09102	11.2
145.10165	0.8
147.08041	6.1
148.05205	1.0
149.06004	1.2
151.03917	2.7
151.07579	1.0
152.04678	5.5
153.05437	1.6
154.06267	1.7
155.07034	4.8
162.06798	1.1
163.07521	2.4
163.11237	1.2
165.05518	1.6
165.09106	2.7
166.06255	0.8
167.07033	15.5
168.07816	29.4
169.08606	59.5
170.08984	1.0
171.08044	1.5
175.11188	2.0
177.12717	2.1
180.07843	1.0
187.07578	0.7
187.11200	15.5
188.11613	0.6
189.09171	0.8
189.12772	1.3
190.09926	3.6
191.14418	0.7
199.11354	0.6
201.09157	1.1
202.09938	1.4
205.12280	32.8
206.12708	0.8
207.13890	0.8
217.12263	7.0
219.10223	1.4
220.11081	1.2
231.10234	0.8
235.13342	10.0
239.91566	0.7
249.11287	5.9
261.11484	1.1
265.01904	0.6
279.12387	81.4
280.12680	2.4
357.13324	3.2
383.58228	0.6
498.16653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	8.9
61.98701	0.7
63.15622	0.6
71.01212	0.6
71.45867	0.6
93.03311	5.6
96.95882	0.8
99.12507	0.8
107.04893	2.5
108.02007	2.2
109.02825	2.8
112.84533	0.7
121.02822	11.4
122.73007	0.8
123.04408	6.4
133.02817	2.8
134.03633	1.3
134.83856	0.8
135.04384	2.3
136.01544	2.9
137.02319	1.1
138.47093	0.7
146.03587	2.0
149.02333	8.2
149.05916	1.0
150.03125	4.3
151.03897	11.6
161.02332	2.6
161.05988	1.7
162.03113	1.6
163.03888	1.5
165.01820	4.2
177.01825	4.3
177.05548	1.4
179.03412	100.0
179.06815	2.2
180.03871	1.1
181.04929	1.7
190.06281	1.2
191.03391	3.2
195.06616	1.0
209.02516	1.7
209.04507	30.8
311.12839	1.2
326.11688	1.2
336.13651	1.4
339.16101	0.8
341.13925	2.7
351.15976	5.6
360.13327	0.8
373.12982	1.3
381.16898	1.6
387.14508	1.5
397.20288	2.3
401.16269	3.6
427.21146	7.8
621.54291	0.7
732.25531	0.9
742.02930	0.9
755.26129	0.7
756.59589	0.9
799.31317	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98690	1.5
66.84649	1.0
77.52079	1.0
83.51186	1.2
84.29711	1.1
88.65435	1.2
91.73409	2.6
108.02071	2.1
109.02836	2.7
121.02871	4.5
122.03661	1.8
123.00809	1.5
124.42296	1.2
134.03717	1.4
135.04413	1.4
136.01524	6.4
137.02397	4.2
138.03145	1.6
142.67719	1.2
145.02905	2.4
146.03639	4.4
147.03339	1.6
147.04361	5.9
149.05992	1.6
150.03123	2.0
151.00298	1.8
151.03883	11.2
152.01068	4.2
153.79582	1.2
161.06078	3.3
162.03142	2.2
163.03874	5.8
164.04732	5.2
165.05525	8.1
166.02660	6.0
167.03404	16.5
173.02406	1.3
174.03151	2.9
175.03937	19.1
176.04741	3.6
177.01854	2.9
177.05473	2.7
178.02710	1.9
178.83159	1.4
179.03461	5.4
179.07045	12.8
180.04208	11.7
181.05045	5.5
184.30760	1.2
188.04794	3.1
189.05528	8.3
190.06276	23.7
190.07834	1.7
191.07082	15.1
192.04208	2.3
193.05023	9.4
194.05754	7.7
195.06549	7.0
203.07191	2.3
205.08676	20.1
207.06693	4.4
208.07376	20.0
219.06584	1.3
222.08995	3.0
222.98375	1.2
240.52408	1.5
294.47983	1.3
327.08731	1.4
344.12689	2.7
345.13409	2.4
357.10004	2.9
357.71585	1.3
359.15048	100.0
360.15515	3.2
387.10614	1.5
387.14716	14.0
389.16483	2.9
395.18552	2.2
409.20447	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	799.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22527	0.9
61.08332	0.8
62.34044	0.8
67.78101	0.8
71.58295	0.8
75.20573	0.8
109.02807	2.3
109.80170	0.9
121.02859	2.1
122.03601	1.8
123.00759	2.3
123.04408	0.9
134.03593	1.1
136.01540	41.6
137.01448	0.9
137.02342	7.5
151.00290	7.6
151.03897	55.8
152.04594	1.1
159.04436	1.6
160.05103	2.2
163.03888	2.0
166.02626	24.8
167.03413	2.1
174.03140	1.2
175.03934	3.6
176.04666	1.2
177.01865	2.2
177.05502	1.9
180.04193	1.2
181.04982	30.3
190.06305	3.4
191.03380	1.7
191.07118	2.0
193.05006	2.0
194.05748	3.8
205.08640	2.7
208.07318	2.6
210.23572	1.0
226.56441	1.0
229.71655	1.0
240.83118	1.0
267.50378	1.1
271.06268	1.6
329.10181	3.1
357.09772	15.0
357.13562	3.4
358.10364	1.2
359.14984	14.4
371.61609	1.3
372.12152	9.6
373.12796	2.1
387.14532	100.0
388.14755	3.4
409.20261	1.9
423.99960	0.9
704.89526	1.2
799.34564	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.0
62.27419	0.8
65.59528	0.7
70.55519	0.8
78.95771	2.3
91.06466	1.2
91.06992	1.2
93.03297	1.0
108.02030	14.8
117.03307	2.0
119.04900	8.0
121.02819	24.3
122.03616	9.1
123.04388	4.9
124.73586	1.0
133.06462	1.1
134.03612	6.7
134.09096	0.9
135.04364	3.8
143.65532	1.1
145.02846	10.6
152.01068	3.2
152.99506	3.6
159.31946	1.0
163.03906	2.8
200.04643	1.0
218.13188	1.0
219.13802	1.3
232.14653	1.4
245.19104	2.6
246.16345	1.4
259.20657	2.9
261.18497	3.7
273.22244	3.8
275.20178	2.6
287.23764	2.6
301.25412	2.6
309.26239	0.9
315.26978	8.1
325.25574	1.7
327.26923	21.0
342.25607	3.7
343.26440	88.4
344.26715	5.6
345.27985	40.9
387.25430	100.0
388.25998	6.4
389.26993	64.5
390.27277	2.1
409.23822	1.5
418.30051	1.1
430.15958	1.0
437.13000	1.3
467.92786	1.2
639.20575	1.0
679.46021	1.2
725.45300	1.3
799.51245	51.5
800.51917	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	800.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46646	0.6
97.36399	0.5
103.91884	1.3
107.04891	6.0
117.03358	1.2
119.04892	8.0
130.04112	0.6
131.04900	1.0
133.06456	2.0
134.73532	0.5
145.06483	1.2
147.08035	0.8
154.05774	0.6
159.08133	1.0
165.28918	0.5
190.98035	1.0
194.97351	2.2
205.34113	0.6
206.97382	1.7
213.99226	1.1
218.97321	4.1
220.99121	0.8
222.08340	0.6
234.97009	1.1
235.00562	1.0
237.38496	0.6
249.02127	0.8
269.02469	0.8
281.02716	3.9
286.03104	0.8
287.03864	0.9
293.02780	1.3
295.04315	1.6
299.00311	1.0
299.03754	3.6
307.04205	2.0
311.03717	0.8
312.00958	4.0
313.05426	0.8
321.05966	1.7
325.01736	7.0
327.26941	5.4
329.28473	2.1
335.07642	0.8
339.03214	2.4
343.99918	5.3
367.06262	1.9
368.07321	0.6
381.07935	1.7
395.09543	2.4
409.11020	1.0
411.16367	1.5
423.12405	1.1
437.14090	2.2
451.19400	0.6
461.21399	0.8
463.15839	1.2
465.21335	1.1
477.17377	1.7
479.22443	1.7
491.18890	3.6
503.26062	4.8
505.20428	4.4
515.25940	1.0
517.28088	1.2
521.27216	9.8
531.29437	0.7
534.24438	0.7
535.28723	2.2
545.30566	0.8
547.25226	7.4
549.30396	1.7
561.26825	2.1
563.31903	1.8
575.28436	0.9
589.29663	2.0
591.23987	1.6
617.33008	0.6
800.46912	100.0
801.47241	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	801.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	3.8
58.09587	0.5
62.39433	0.6
65.86345	0.5
67.01736	0.8
85.02805	22.5
87.00729	35.9
97.25613	0.6
101.02271	0.8
110.97681	1.4
111.00743	98.0
112.01095	1.0
125.02298	5.0
129.01813	6.0
130.99727	1.8
162.63785	0.6
167.03397	0.7
173.00841	4.4
177.01891	3.6
191.01897	100.0
255.02916	0.7
305.06668	2.5
305.10239	0.7
403.27560	0.7
423.06985	4.1
441.08188	2.4
483.08997	0.7
588.85352	0.7
609.12671	3.6
682.78284	0.7
723.61298	0.7
823.17316	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	0.6
59.01241	0.6
64.55992	0.5
65.00182	0.6
67.44366	0.6
71.05005	0.6
71.66012	0.5
71.66457	0.5
85.02801	2.0
87.00711	3.1
97.52467	0.6
101.87383	0.6
103.59216	1.4
103.59879	1.3
107.01220	1.9
108.01997	0.6
109.02809	0.8
111.00727	9.2
111.96966	0.5
121.02814	1.3
123.12779	0.6
129.01805	0.9
148.01566	0.7
151.00259	7.8
163.00229	1.7
164.01018	0.8
169.01343	0.7
178.99748	5.1
191.01883	10.9
191.03424	1.1
201.05452	0.6
211.04018	0.7
211.26636	0.6
216.04312	0.8
226.02556	0.8
227.03429	1.9
229.05055	0.9
243.02977	7.7
245.04480	1.1
254.02135	1.0
255.02991	21.6
271.02499	42.8
272.03201	1.9
273.04059	0.7
283.02267	0.8
300.02759	89.4
301.03537	33.4
301.07065	1.2
310.88791	0.6
388.55176	0.7
609.14667	100.0
610.14618	1.2
765.02295	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	0.6
59.01241	0.6
64.55992	0.5
65.00182	0.6
67.44366	0.6
71.05005	0.6
71.66012	0.5
71.66457	0.5
85.02801	2.0
87.00711	3.1
97.52467	0.6
101.87383	0.6
103.59216	1.4
103.59879	1.3
107.01220	1.9
108.01997	0.6
109.02809	0.8
111.00727	9.2
111.96966	0.5
121.02814	1.3
123.12779	0.6
129.01805	0.9
148.01566	0.7
151.00259	7.8
163.00229	1.7
164.01018	0.8
169.01343	0.7
178.99748	5.1
191.01883	10.9
191.03424	1.1
201.05452	0.6
211.04018	0.7
211.26636	0.6
216.04312	0.8
226.02556	0.8
227.03429	1.9
229.05055	0.9
243.02977	7.7
245.04480	1.1
254.02135	1.0
255.02991	21.6
271.02499	42.8
272.03201	1.9
273.04059	0.7
283.02267	0.8
300.02759	89.4
301.03537	33.4
301.07065	1.2
310.88791	0.6
388.55176	0.7
609.14667	100.0
610.14618	1.2
765.02295	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00188	0.4
81.00475	0.3
82.38225	0.5
88.12971	0.4
97.30996	0.3
107.01263	1.4
111.54228	0.5
111.54845	0.4
122.20702	0.5
122.21478	0.4
125.02332	0.5
130.37932	0.3
151.00253	7.8
163.00259	1.2
164.01038	1.7
169.01338	0.4
174.03114	1.1
175.00278	0.6
177.01880	0.5
178.02501	0.4
178.99777	2.8
186.03183	0.5
192.00685	0.7
199.03801	0.4
201.01773	0.5
202.02611	2.2
203.03474	1.3
205.01358	0.4
214.02673	1.1
215.03479	1.0
229.01483	0.5
230.02138	8.3
231.02925	1.7
241.01392	1.2
242.02246	1.9
243.02933	3.0
258.01709	13.1
259.02490	5.6
269.00839	0.8
270.01788	3.2
271.02515	5.0
273.03995	0.6
285.04086	0.5
286.01199	35.5
287.01971	10.5
297.00598	0.4
298.01187	1.8
299.02237	0.5
301.03534	21.0
302.03845	0.6
314.00729	8.1
315.01492	20.6
316.02209	14.3
328.02036	0.7
329.03043	100.0
330.03806	31.3
331.04608	38.6
332.04938	0.7
333.15091	0.4
343.04642	0.7
373.05591	0.8
477.06754	2.9
492.09091	11.5
493.10031	5.6
639.15729	54.5
640.16327	1.3
681.16882	0.9
801.21033	46.8
802.21368	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76024	0.9
83.60224	1.3
84.50562	1.8
93.03320	1.3
106.22779	1.3
108.02034	2.5
121.02811	13.7
122.03611	46.0
122.36957	1.2
123.00757	2.9
124.01563	8.6
125.02349	2.5
135.04373	1.3
136.01532	22.2
137.02287	2.4
154.02600	1.7
165.01825	7.0
166.02618	34.4
168.04199	2.2
180.04192	7.1
198.01640	51.3
212.03224	14.1
229.05226	1.4
258.09006	5.4
273.11285	5.4
285.07635	7.5
302.07971	5.2
317.10309	99.1
334.00647	1.5
361.09323	100.0
362.09497	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	801.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76024	0.9
83.60224	1.3
84.50562	1.8
93.03320	1.3
106.22779	1.3
108.02034	2.5
121.02811	13.7
122.03611	46.0
122.36957	1.2
123.00757	2.9
124.01563	8.6
125.02349	2.5
135.04373	1.3
136.01532	22.2
137.02287	2.4
154.02600	1.7
165.01825	7.0
166.02618	34.4
168.04199	2.2
180.04192	7.1
198.01640	51.3
212.03224	14.1
229.05226	1.4
258.09006	5.4
273.11285	5.4
285.07635	7.5
302.07971	5.2
317.10309	99.1
334.00647	1.5
361.09323	100.0
362.09497	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	801.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65299	3.7
59.01241	50.4
74.68279	4.4
81.16042	4.7
96.95872	5.2
108.02043	4.7
109.02845	6.7
110.89879	4.3
121.02846	7.7
123.04368	10.6
134.03682	4.8
136.01532	12.2
147.04416	9.5
151.03925	16.0
158.03616	6.8
159.04366	10.5
160.05171	6.6
162.03004	5.9
172.05255	8.1
187.03940	7.2
189.05544	13.9
249.14738	5.1
254.94983	5.3
262.29395	5.4
407.82425	5.5
467.02359	5.9
649.24365	6.2
651.26184	16.0
651.37006	6.4
669.26544	6.8
681.27173	100.0
741.29443	44.1
756.64569	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00013	0.4
59.01242	26.5
65.39308	0.3
69.03291	0.6
74.06592	0.3
93.03353	0.5
108.02018	2.8
109.02828	2.5
110.71281	0.3
111.15678	0.7
121.02810	3.2
121.22233	0.3
122.03609	1.8
123.00735	0.9
123.04399	2.7
134.03607	7.6
135.04390	2.4
136.01546	13.3
137.02327	6.8
146.03610	2.4
147.04402	1.5
148.05171	0.4
149.02307	1.2
149.05931	3.0
150.03026	0.7
151.03903	11.6
159.04443	3.7
159.52231	0.4
160.05199	3.7
161.02486	0.4
161.05986	3.0
161.57875	0.4
162.03076	2.0
163.03885	1.3
164.04710	2.2
165.05487	0.8
171.04448	1.2
172.05190	2.5
173.05974	2.7
174.03061	0.6
175.03917	1.0
175.07573	1.2
176.04710	1.5
177.05452	1.5
179.07022	3.0
180.04195	1.3
187.03964	0.6
187.07570	0.4
188.04738	0.9
188.06367	0.5
189.05466	4.9
190.06259	4.8
191.07016	2.9
195.06555	1.9
199.07660	0.6
203.07068	0.9
205.08635	2.2
209.06136	0.4
211.07639	0.5
213.05460	0.5
214.06253	0.8
215.07108	0.9
223.07652	0.4
227.03447	0.4
228.04218	0.7
229.08685	0.8
237.05530	0.6
239.07146	0.8
241.05070	1.4
242.05731	1.3
243.06651	2.5
248.81129	0.4
249.05518	0.5
251.07121	0.5
253.04990	0.4
253.08688	0.9
254.05827	0.6
255.06642	2.3
256.07260	1.8
257.08173	2.8
258.08960	1.4
263.07126	0.7
265.08789	1.1
266.05847	0.7
267.06589	0.8
267.10464	0.4
268.07315	1.0
269.05359	0.4
269.08084	1.9
270.08972	0.9
271.09680	0.9
272.10495	0.8
277.08658	0.7
278.05865	0.8
279.06625	1.7
280.07443	1.4
281.08142	2.3
282.08926	0.9
282.25165	0.5
283.06149	0.9
283.09619	0.9
284.06735	0.5
290.07990	1.5
291.06531	1.0
293.08231	1.0
294.08987	1.4
295.09668	2.4
296.10529	1.0
298.08447	0.5
300.09821	0.6
302.08133	0.4
304.09656	2.1
305.08319	0.9
307.09778	1.7
308.10425	0.5
309.07974	0.5
309.11423	0.9
310.08603	0.5
310.12128	0.8
311.09372	0.6
314.08344	0.6
316.09665	0.6
319.09769	0.7
321.11185	0.7
323.09146	0.6
328.09787	1.1
331.09781	0.6
333.11325	0.6
337.10849	0.6
342.11093	0.8
373.10800	0.5
375.14407	0.7
377.17776	0.8
389.18005	0.4
395.18646	2.1
397.10574	0.4
399.12408	0.6
401.09998	0.5
407.18747	1.4
415.11783	1.1
416.12689	0.8
417.13306	1.0
418.14133	0.6
425.19385	1.7
429.13443	0.8
431.15161	1.7
443.15076	0.6
445.16718	1.0
446.17899	0.5
455.14969	0.8
457.16748	0.6
461.16037	0.8
469.16541	1.1
470.17307	0.5
473.15741	0.8
475.17642	1.9
487.17789	0.6
499.17548	1.2
521.18060	0.7
522.18756	0.6
535.20190	2.2
545.18433	0.4
547.19916	0.7
549.21387	0.6
559.19476	1.1
560.20264	0.7
563.19470	1.9
573.19476	0.7
575.22607	0.6
591.20197	0.5
605.22217	0.5
621.23334	0.5
651.26294	2.0
669.26904	0.6
681.27045	7.4
683.24591	0.6
695.25183	0.6
711.28284	2.9
741.29309	15.9
742.29333	1.0
759.29895	0.7
771.30426	2.5
786.29144	0.6
801.31342	100.0
802.31732	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	801.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.9
63.27617	1.5
71.01241	1.9
71.08243	1.4
74.59937	1.6
91.73323	3.4
95.72941	1.7
97.01739	1.5
108.02007	9.3
109.02827	5.2
121.02798	15.4
122.03601	18.1
123.04363	5.0
124.01530	1.8
132.15814	2.0
134.03680	2.5
135.04398	2.4
137.02309	2.5
137.05934	2.9
145.02795	2.6
146.03621	42.9
146.04735	3.0
147.04410	3.0
149.06018	3.1
150.03154	7.4
154.02692	2.4
159.04437	3.8
160.05145	9.1
161.05986	12.3
163.03853	4.6
164.04680	28.1
165.05440	12.6
175.03928	4.3
175.07603	5.4
176.04703	10.7
177.05478	4.2
179.03468	5.0
179.07053	63.4
180.04195	51.4
190.89471	1.7
191.07059	14.2
192.04179	3.9
194.05800	6.1
195.06546	100.0
207.06638	8.1
214.65025	2.0
219.62904	2.3
241.12413	1.9
253.12404	4.9
275.59436	1.9
277.08749	2.3
305.08289	2.3
327.12463	8.1
329.14044	13.6
359.13129	2.5
360.13693	6.9
361.14514	6.3
362.15164	8.3
365.17773	2.5
374.15097	3.6
375.14832	9.6
377.17758	15.3
381.16986	4.8
389.17691	8.8
390.14642	2.9
393.17148	17.3
395.18500	6.1
405.17130	14.6
407.18726	25.3
411.17957	3.3
423.18390	2.3
425.19766	4.0
437.15924	2.0
533.81793	2.2
603.26514	4.7
735.31519	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	801.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	1.9
63.69075	0.6
72.00085	0.5
96.95895	1.0
108.02054	0.8
109.02838	0.5
118.59238	0.5
121.02861	2.5
122.03618	0.7
133.02954	0.6
137.02344	1.4
145.02834	1.0
147.04425	2.1
149.02338	0.9
151.03929	1.5
152.04651	0.6
159.04410	1.5
160.05183	6.4
161.05930	1.6
162.03082	0.8
163.03943	4.0
164.04694	1.6
165.01871	1.0
165.05469	1.3
173.05972	1.0
174.03140	2.0
175.03932	10.8
175.07555	6.1
176.04707	2.1
177.05469	3.5
178.06264	1.4
179.03450	1.6
180.04192	4.6
188.04762	1.8
189.05507	4.7
190.06273	16.7
191.07068	11.9
193.04971	5.9
194.05766	3.3
203.07074	0.8
205.08630	13.4
207.06528	3.2
208.07356	13.5
210.48299	0.7
221.76347	0.6
222.08945	3.0
223.09789	1.0
313.11127	0.6
344.12680	2.5
359.15042	100.0
360.15347	2.6
389.16302	3.6
411.21805	2.7
424.16379	0.6
606.86304	0.7
743.85779	0.7
801.33307	1.1
822.78827	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	1.9
63.69075	0.6
72.00085	0.5
96.95895	1.0
108.02054	0.8
109.02838	0.5
118.59238	0.5
121.02861	2.5
122.03618	0.7
133.02954	0.6
137.02344	1.4
145.02834	1.0
147.04425	2.1
149.02338	0.9
151.03929	1.5
152.04651	0.6
159.04410	1.5
160.05183	6.4
161.05930	1.6
162.03082	0.8
163.03943	4.0
164.04694	1.6
165.01871	1.0
165.05469	1.3
173.05972	1.0
174.03140	2.0
175.03932	10.8
175.07555	6.1
176.04707	2.1
177.05469	3.5
178.06264	1.4
179.03450	1.6
180.04192	4.6
188.04762	1.8
189.05507	4.7
190.06273	16.7
191.07068	11.9
193.04971	5.9
194.05766	3.3
203.07074	0.8
205.08630	13.4
207.06528	3.2
208.07356	13.5
210.48299	0.7
221.76347	0.6
222.08945	3.0
223.09789	1.0
313.11127	0.6
344.12680	2.5
359.15042	100.0
360.15347	2.6
389.16302	3.6
411.21805	2.7
424.16379	0.6
606.86304	0.7
743.85779	0.7
801.33307	1.1
822.78827	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.5291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51966	0.1
64.15220	0.2
69.28186	0.2
81.50845	0.2
91.56979	0.3
91.72648	0.3
93.03320	0.7
108.02032	17.3
108.04964	0.2
121.02820	19.3
121.06294	0.3
122.03610	7.3
123.04394	0.5
134.03622	1.6
135.04393	0.8
145.02888	0.2
152.01039	2.5
163.04060	0.2
169.13390	0.2
172.85179	0.2
190.09761	0.2
191.10776	0.2
205.12321	0.3
206.13043	0.3
218.13123	0.2
219.14064	0.2
220.14615	0.4
232.14673	0.3
234.16217	0.4
247.17033	0.2
248.17845	0.5
255.23094	0.2
260.17880	0.3
274.19434	0.4
287.65231	0.2
288.21014	0.7
302.22507	0.6
315.23407	0.3
316.24063	0.4
327.26636	0.2
339.51483	0.2
343.26001	0.2
344.27219	17.9
345.27997	100.0
346.28320	4.0
359.25613	0.3
360.08228	0.2
377.26843	1.1
388.25745	0.3
389.27008	68.6
390.27325	3.2
391.28094	0.2
411.24713	0.2
801.52942	28.8
802.53339	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	801.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	1.9
68.35728	1.0
70.88705	1.1
78.95752	2.2
89.96584	1.2
91.73358	1.7
107.04906	1.9
112.30295	1.1
119.04888	5.2
121.02829	2.9
131.28801	1.2
145.02852	5.2
145.50487	1.2
149.09569	1.3
177.09128	1.6
203.14354	12.4
219.13852	21.3
228.58308	1.2
236.97240	1.3
327.26947	33.7
328.27417	2.8
343.26431	7.8
345.27994	28.0
359.29642	1.5
389.26996	100.0
390.27319	5.6
801.52539	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	801.5295
Annotation	Unknow
Peak:m/z	Relative Intensity
70.46732	0.2
70.80034	0.3
81.21283	0.5
81.21704	0.4
85.06433	0.5
85.06997	0.3
88.37936	0.3
91.56960	0.4
92.02554	0.4
95.51760	0.3
97.06461	0.5
101.72765	0.3
106.04075	2.0
106.77440	0.4
107.04902	0.7
115.00238	0.3
119.04893	3.5
121.02826	2.5
131.77579	0.3
133.06444	0.6
136.90448	0.3
168.22987	0.3
175.11292	0.5
189.12747	0.6
203.14355	0.5
217.15945	0.6
231.17435	0.6
233.15295	0.5
243.17564	0.3
245.19139	0.7
247.20688	1.6
255.64255	0.3
259.20694	15.2
261.18701	0.3
273.18716	0.5
273.22284	0.9
275.20200	23.6
276.20456	0.5
289.21481	0.5
327.26956	37.1
328.27139	1.0
343.26422	2.9
345.28009	14.7
389.27017	100.0
390.27225	2.4
397.43719	0.3
459.00446	0.3
801.53070	13.0
802.53021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
63.01059	1.0
65.98174	1.1
78.95772	1.6
89.06185	1.5
91.72744	1.5
106.04120	2.0
107.04888	1.4
109.27603	1.0
119.04899	4.0
121.02767	3.2
129.21922	1.3
136.68436	1.1
231.17572	2.0
240.24065	1.2
247.17134	1.5
252.98543	1.4
259.20718	11.1
275.20160	8.8
304.70673	1.3
321.03076	1.4
327.26965	24.2
343.26300	2.9
345.28030	35.6
361.23837	2.0
389.27017	100.0
448.81259	1.4
691.33606	1.5
801.52319	5.8
808.66638	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.8
61.97435	0.9
61.98695	44.1
83.01196	0.7
107.01234	1.5
108.24149	1.0
108.24766	0.8
117.03331	1.6
119.04898	2.2
122.82188	0.9
123.10265	0.8
132.02054	1.0
145.02864	7.4
151.00253	3.6
163.03888	2.2
178.99669	1.0
183.04364	0.9
187.04082	0.9
189.77615	0.7
205.28859	0.9
211.03995	1.2
227.03450	32.7
229.05109	2.2
239.03412	1.1
255.02986	58.3
256.03748	5.3
257.04529	1.7
265.03052	0.8
283.02496	4.5
284.03271	100.0
285.04050	26.6
304.23300	0.9
413.08514	1.4
593.15161	22.9
739.18890	69.9
740.18744	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98693	27.0
61.98985	1.9
65.00207	1.0
72.26984	1.1
117.03280	1.5
119.04935	1.6
125.02376	1.3
132.01968	1.1
145.02844	7.0
151.00294	5.2
162.52798	1.0
163.03912	2.1
176.78828	1.0
211.04039	2.7
214.68930	1.3
227.03458	31.7
229.04993	2.1
239.03601	1.9
255.02975	63.3
256.03583	8.4
257.04465	2.4
283.02527	3.7
284.03262	100.0
285.04013	28.3
285.07043	1.7
413.09006	2.2
593.06152	1.0
593.14996	29.0
593.23688	2.1
656.63220	1.4
739.18860	70.3
740.19055	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	802.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	0.5
61.97419	0.5
61.98692	29.7
63.02247	0.4
65.00182	0.4
67.23549	0.6
67.23848	0.3
69.69886	0.3
76.27043	0.4
83.01297	0.4
105.64437	0.4
107.01262	1.2
108.24223	0.7
114.04082	0.4
116.03755	0.6
117.20914	0.4
120.00353	0.4
132.02060	0.7
135.00778	0.5
148.98547	0.4
151.00229	3.1
163.00206	0.9
164.00984	0.6
169.01331	0.7
178.99753	1.4
183.04430	0.8
185.06047	0.4
187.03897	0.8
199.04039	0.6
211.03920	1.1
213.05464	0.4
227.03456	30.7
228.03937	0.9
229.05145	1.9
239.03448	0.9
255.02979	63.5
256.03671	5.4
257.04428	1.6
283.02493	1.7
284.03265	100.0
285.03973	12.2
309.04001	0.4
327.04846	0.5
575.14349	0.9
688.54559	0.5
739.20972	71.9
740.21130	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	803.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	3.2
60.15371	1.7
82.05907	2.1
88.83686	1.9
91.72768	4.1
96.12212	2.1
97.54710	2.1
108.02023	4.5
109.02825	6.8
117.17897	2.2
121.02798	13.1
121.97692	2.5
122.03629	11.2
125.20399	2.0
134.03653	3.7
135.04390	4.2
136.01541	3.8
146.03621	42.2
147.00885	3.1
147.04420	4.5
150.03139	4.9
151.03880	5.6
161.05954	13.3
163.03886	4.6
164.04669	34.3
165.05449	8.8
175.04002	6.9
176.04759	9.6
177.05580	2.5
179.03560	4.7
179.07048	65.1
180.04199	48.9
181.04948	8.1
191.07097	14.6
192.04192	3.9
192.18195	2.5
193.04936	5.3
194.05797	5.0
195.06560	100.0
207.06642	5.7
211.06027	3.0
220.71222	2.5
297.11240	2.9
327.12476	13.0
343.12057	3.5
345.13486	5.0
351.15991	10.0
375.14621	7.8
397.20490	4.3
421.14420	3.0
427.21283	21.4
492.89670	3.1
525.76904	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	803.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	10.1
61.98716	4.0
68.57130	2.3
76.75854	2.2
84.02065	2.8
103.89338	2.6
108.02048	4.4
109.02837	6.4
109.28880	2.1
111.43290	2.6
119.86955	2.4
121.02824	13.8
122.03613	19.5
123.04443	4.4
134.03645	3.1
136.01608	6.3
146.03613	59.3
146.04706	3.4
149.06001	4.0
150.03162	8.3
151.03932	7.5
160.05205	3.0
161.06006	16.0
162.03236	3.5
163.03978	6.6
164.04677	43.4
165.05492	12.4
174.69571	2.4
175.03964	8.5
176.04720	34.9
177.01897	6.3
177.05481	2.7
178.02702	10.7
179.03494	12.0
179.07053	80.8
180.04208	45.3
180.05811	3.7
181.04990	4.2
191.07082	37.3
192.04298	8.6
193.05000	14.3
194.05724	4.4
195.06554	100.0
207.04601	2.8
207.06584	5.1
223.64252	2.7
236.98834	2.6
255.06593	3.0
283.06134	3.2
284.13333	2.7
314.85791	3.2
327.12378	15.8
336.13629	5.5
343.11945	4.9
345.13275	16.6
351.16098	10.3
371.11597	4.4
373.13269	3.5
375.14392	12.4
397.20337	9.7
409.20096	12.0
427.21252	42.3
547.19800	6.1
593.20343	21.1
623.28638	5.8
725.25824	3.1
803.26453	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	805.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48102	0.2
61.49666	0.2
79.72433	0.2
79.95581	3.6
93.03295	1.0
96.93086	0.9
96.95866	100.0
96.98322	1.5
103.20618	0.4
107.04881	0.3
119.04884	0.6
121.02857	0.3
125.02364	0.5
147.04416	0.4
154.80318	0.3
158.65834	0.2
163.14059	0.3
179.03432	0.2
191.03416	0.4
211.07610	2.1
223.07484	0.2
235.88547	0.2
241.04962	0.4
255.06566	1.6
267.06680	0.7
285.07919	0.3
365.03369	54.4
366.03662	0.5
412.82678	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.6
59.41077	0.4
71.01244	1.4
72.99140	0.5
77.45813	0.5
89.02288	3.2
96.95871	0.8
98.48149	0.4
99.00716	0.8
107.98977	0.4
108.02030	17.1
123.04378	10.3
125.02328	2.6
131.03357	0.7
135.25925	0.4
148.05174	0.8
149.04446	1.1
151.95964	0.6
152.01038	48.7
153.01375	0.6
166.02626	0.8
167.03398	100.0
168.03719	1.4
177.01782	0.6
181.04901	2.3
191.05489	0.5
201.23845	0.4
205.54083	0.6
233.06662	1.4
271.94730	0.5
293.08826	5.8
347.11377	20.6
637.15839	0.5
685.07214	0.6
700.95520	0.7
704.75006	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83104	8.0
61.98695	24.6
62.43814	9.0
73.42497	8.9
74.05939	8.8
75.99646	9.2
76.81374	10.9
95.67235	9.2
96.95869	39.9
128.91893	9.0
155.06969	10.1
160.05188	34.6
175.07544	38.6
241.60965	11.5
244.14783	10.7
329.13998	100.0
409.20166	44.8
410.20313	13.6
566.71381	13.0
696.06970	12.5
739.34845	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	805.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70780	0.3
57.03294	0.3
58.90351	0.3
59.01237	2.8
71.01241	2.3
73.02779	0.6
78.95745	0.9
85.02797	0.4
87.00721	0.5
89.02296	1.6
93.15022	0.4
97.06407	0.3
101.02293	2.4
111.08017	0.4
113.02305	1.1
115.00100	0.4
119.03398	0.5
149.96625	0.4
152.99458	0.6
154.91373	0.3
161.04399	0.8
162.05151	0.4
165.81084	0.3
179.14349	0.5
195.13820	8.2
196.14627	0.9
205.12259	0.5
205.15918	0.5
223.13358	5.8
223.31799	0.5
228.13635	0.7
231.17499	0.9
231.21190	0.5
235.08171	0.8
253.09267	14.0
256.13101	1.6
262.24139	0.4
265.21783	0.6
275.20166	5.5
293.21225	100.0
294.21616	2.0
331.77176	0.4
387.25458	0.8
529.30194	1.2
560.56903	0.5
569.42365	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.6
65.00166	0.8
73.18736	0.7
76.38253	0.7
77.01810	0.6
78.66293	0.6
97.25440	0.8
107.01237	1.7
117.48078	0.9
120.34208	0.7
124.01486	2.0
125.02263	0.9
137.02321	1.7
143.04541	0.9
145.02744	1.0
151.00247	6.9
152.01016	0.9
163.00232	1.2
163.03827	0.7
164.01080	1.9
175.02367	0.9
178.99777	8.3
199.04094	0.9
203.03532	1.1
204.04149	0.9
214.02670	6.8
222.86469	0.7
242.02267	6.3
243.02968	4.2
249.56451	0.9
259.02493	5.9
270.01730	7.1
271.02509	39.5
272.02881	1.5
285.04199	0.9
287.02005	23.5
288.02832	1.7
300.02829	2.7
306.07712	2.0
314.03949	1.4
315.01465	3.2
315.04846	1.2
316.02255	100.0
317.02969	9.5
461.11102	1.5
625.14081	15.8
654.54230	0.9
771.17865	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31233	0.3
56.37096	0.2
68.98158	0.3
69.22015	0.3
69.90898	0.3
70.17250	0.4
71.67892	0.3
73.19358	0.3
79.95592	1.4
80.96356	0.5
89.42486	0.3
93.03315	75.3
93.05728	0.7
94.03655	1.0
95.95062	1.0
96.95869	14.9
98.95457	1.2
100.43984	0.3
101.28741	0.3
108.10572	0.3
109.13849	0.3
122.97443	4.1
125.02269	0.4
137.02321	100.0
137.06664	1.0
138.02681	0.8
149.05974	0.5
179.02162	0.3
182.85446	0.3
187.25958	0.3
229.01712	7.1
235.99887	0.3
354.69666	0.4
365.02896	0.5
367.04953	59.9
368.05316	1.7
377.31256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.3
69.03321	0.4
70.42492	0.3
71.04872	0.5
71.83955	0.3
72.97733	1.1
72.99165	100.0
73.00790	1.6
73.02802	0.5
81.03316	0.5
81.27161	0.3
82.12329	0.3
85.02815	0.3
87.04410	0.4
96.42120	0.3
97.02817	1.1
98.61275	0.3
99.04365	1.4
101.05948	1.4
102.22807	0.3
103.03889	2.0
109.02821	0.8
111.04389	0.3
123.04398	1.2
125.09599	0.4
133.06445	0.3
136.14096	0.3
137.02321	0.3
147.08055	0.4
151.11247	0.6
161.13271	2.3
163.11154	0.7
165.56058	0.4
167.07094	0.7
173.13283	0.7
179.14342	3.1
189.12854	0.5
191.10677	0.6
191.14340	12.4
202.09926	2.1
203.14420	0.4
205.12361	1.1
207.10205	11.5
215.14474	0.4
217.12268	2.4
223.13335	3.3
228.07996	0.6
229.83235	1.0
235.13374	4.4
238.75822	0.5
243.13889	0.5
246.12527	0.4
247.13335	0.4
259.17044	2.9
277.18115	1.7
279.12363	2.3
285.15015	0.9
287.12939	0.8
291.16080	4.1
297.13504	0.9
303.16071	4.1
309.17078	13.0
310.17358	0.5
321.17050	5.7
347.15005	7.8
348.15515	0.4
349.13394	0.6
365.16049	14.9
366.16370	0.5
367.14154	2.1
383.17133	33.5
384.17468	0.6
423.13019	1.0
442.07977	0.4
759.08197	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91613	28.4
64.17700	26.2
96.95911	32.5
134.20132	29.4
145.21411	27.6
160.05243	46.4
163.76222	30.3
175.07619	45.1
221.85442	30.9
239.16995	34.8
329.14053	100.0
378.52625	34.5
787.94000	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	809.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69703	66.4
74.83234	64.4
75.89031	60.1
79.28738	63.2
91.07509	66.6
107.02995	71.2
193.88110	82.6
282.96140	86.5
789.03394	89.2
799.82739	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90545	1.5
59.01244	61.2
59.02501	1.6
65.34409	1.3
69.03298	2.8
72.53260	1.3
83.64595	1.8
107.10324	1.2
108.02035	5.3
109.02802	9.2
120.77621	1.7
121.02812	16.1
122.03600	5.5
123.04379	6.1
134.03609	11.0
135.04405	2.0
136.01547	5.0
147.04401	4.7
149.02399	2.0
149.05956	6.0
150.03246	2.2
151.03900	7.5
157.22029	1.6
158.03603	1.7
159.04411	7.0
160.05220	10.5
161.05966	3.7
162.03088	1.9
164.04727	2.0
172.05251	5.7
173.05952	5.5
175.07544	6.6
177.01775	2.1
177.05423	2.9
178.06209	1.8
187.07475	3.2
188.04762	1.6
189.05524	12.3
190.06268	24.1
192.04248	1.7
201.05376	1.7
203.07108	2.9
205.08662	23.9
255.73230	1.6
267.13870	2.6
275.21054	1.7
281.08411	2.7
295.09741	2.9
296.10574	6.4
311.12933	6.8
326.11667	26.8
329.13901	9.7
341.13959	64.1
342.14359	1.8
376.16693	2.6
379.19073	5.7
386.13733	2.5
391.19122	4.7
401.16095	100.0
409.20261	46.8
416.57700	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86069	0.5
59.00056	1.3
59.01242	72.0
59.84915	0.5
62.69509	0.6
63.02723	0.5
63.89974	0.5
66.16493	0.6
67.52546	0.5
68.89034	0.5
69.03303	2.4
71.32474	0.5
79.69582	0.5
82.44820	0.6
90.79010	0.6
91.72642	1.2
93.03307	0.9
93.21152	0.6
96.95879	1.6
101.28590	0.7
101.29175	0.9
102.50096	0.6
103.80296	0.7
107.04865	1.1
107.64012	0.6
108.02022	6.8
109.02813	15.2
116.71510	0.6
119.04889	0.9
121.02821	17.5
122.03600	5.2
123.00757	0.8
123.04379	8.8
129.07030	0.6
133.02716	1.1
133.04874	0.7
134.03603	9.6
135.04367	2.4
136.01543	8.0
136.05135	1.5
137.02298	2.2
143.04932	0.8
145.06516	1.3
146.03580	1.2
147.04411	3.9
149.05968	9.0
150.03102	3.3
151.03877	10.3
153.39516	0.9
155.28583	1.4
158.03592	1.2
159.04395	6.7
160.05190	14.5
161.05956	5.2
162.03081	2.0
163.03912	1.7
164.04666	2.1
165.05453	2.2
169.69678	0.8
171.04424	2.1
172.05209	7.3
173.05989	6.0
175.03905	1.2
175.07565	9.1
176.04697	0.8
177.05472	4.1
178.06184	1.3
179.03384	1.1
183.17569	0.7
186.06784	0.9
187.03734	1.2
187.07582	2.6
188.04710	2.2
189.05493	12.3
189.09117	1.0
190.06271	29.9
191.06926	1.2
192.04198	1.1
201.05473	0.9
203.07104	3.3
204.07901	0.9
205.08636	23.9
224.08405	0.8
225.09081	1.0
265.08871	0.9
266.13000	1.1
267.13882	2.6
270.08951	0.8
279.10217	2.0
281.08148	3.0
291.10434	1.2
292.11020	0.7
293.08240	0.8
295.09839	1.7
296.10547	6.4
297.11172	0.9
308.10742	1.3
311.09314	1.5
311.12851	9.9
316.08026	0.7
321.11316	1.1
325.10709	1.2
326.11606	27.2
329.13858	8.5
333.11063	1.0
341.13947	69.8
342.14307	1.5
346.99561	0.7
347.41745	0.7
355.08432	1.8
361.14474	2.6
363.16058	2.1
364.16800	2.9
365.17749	1.6
371.15167	1.4
376.16595	3.4
379.19223	8.7
385.13031	1.9
386.13757	1.9
387.14676	1.6
391.19156	6.1
394.17981	2.8
401.16080	100.0
402.16531	1.7
409.20218	69.4
410.20490	1.7
585.12744	0.8
650.62909	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.1
61.98688	1.5
66.83091	1.2
70.61694	1.1
76.57443	1.1
91.73323	1.7
108.02015	1.6
109.02802	2.5
123.04357	1.5
127.14737	1.3
136.01555	4.9
137.02336	4.1
145.02882	2.0
150.03079	10.3
151.03883	13.0
152.01042	5.8
159.00787	1.2
160.01587	1.8
161.02443	2.2
162.03120	23.3
163.03922	5.0
165.05437	6.9
166.02621	5.9
167.03398	5.5
176.01088	3.5
177.01988	1.5
177.05389	6.1
178.02579	1.6
179.03441	5.5
180.04195	62.5
181.04953	11.1
186.65347	1.4
191.03464	2.4
193.05035	3.8
194.05807	1.6
195.06554	100.0
199.84590	1.7
209.08176	2.0
211.06229	2.3
212.64755	1.4
321.10263	1.8
338.37555	1.4
341.13779	1.5
355.08365	2.2
385.12915	2.8
387.10544	3.0
387.14929	3.4
389.12601	2.9
395.18893	1.6
401.16171	2.6
407.18686	1.5
460.72632	1.6
619.25690	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
66.15682	0.8
68.16512	0.7
78.95751	1.7
97.29197	0.8
110.22530	0.9
117.03355	1.3
119.04897	2.0
121.02837	2.1
122.89258	4.5
145.02785	4.7
158.92917	1.6
161.09666	1.6
214.95674	1.9
253.00938	1.6
278.98886	5.3
281.04242	1.7
293.00415	3.4
315.23141	1.3
335.05069	1.1
345.28067	2.6
357.47586	1.1
367.13647	1.1
369.15158	1.8
371.16962	2.5
389.17877	3.3
389.26950	3.4
405.12930	2.8
407.14450	52.8
408.15045	1.2
415.15900	4.3
443.35968	1.2
451.13483	100.0
452.13892	3.2
593.27277	1.4
777.39874	3.1
803.84351	1.3
813.48328	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	813.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49987	0.7
63.48547	0.8
78.95766	0.9
83.94158	0.7
85.05006	0.9
107.04885	1.0
119.04878	2.3
122.89307	5.1
134.03601	1.2
145.02769	1.1
152.99481	1.1
158.92946	1.1
163.04012	1.1
175.11208	1.5
189.12753	2.8
201.49142	0.9
203.14351	2.2
210.96140	4.3
214.95605	1.3
234.96303	1.0
257.06244	1.4
267.02490	3.0
278.98859	10.4
281.04080	2.7
293.00385	3.0
293.04056	3.2
297.22202	3.2
301.05374	1.8
305.00467	1.5
315.23315	3.9
321.03378	1.4
361.24011	1.4
365.11810	2.1
367.13559	4.3
369.15173	13.2
371.12198	1.6
371.16800	21.5
389.17896	13.3
401.14508	1.8
403.15900	3.5
405.13013	5.0
407.14520	19.9
415.15817	48.8
416.16153	2.1
447.14731	6.0
449.12167	1.1
450.12396	3.1
451.13470	100.0
452.13593	3.6
453.13351	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	813.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97475	0.8
70.35143	0.9
78.95754	1.9
96.95892	3.5
96.99848	0.8
98.82702	0.8
103.91882	1.1
107.04910	1.5
108.14426	0.9
119.04900	2.6
122.89311	5.5
145.02852	2.4
152.99490	1.5
156.33250	1.1
203.14502	1.8
204.11664	1.1
214.95674	1.5
217.15915	6.1
231.17484	2.0
247.16971	4.9
261.18854	1.2
264.97464	1.5
265.98050	1.6
278.98914	5.6
279.01895	1.0
281.04108	1.4
295.05594	1.5
297.22165	2.3
299.23721	4.8
307.05670	1.3
309.07162	5.2
315.10318	1.3
315.23257	3.8
317.08493	1.7
317.24680	2.0
321.03534	3.1
325.06717	1.3
329.08734	2.2
337.06689	1.6
341.12109	3.8
343.78128	1.1
361.23810	11.6
365.12354	1.5
367.13608	8.8
369.15164	18.2
371.16843	22.5
385.14844	1.4
389.17853	25.1
390.18250	1.8
399.12863	1.3
401.14233	3.0
403.15897	3.3
403.24854	1.8
405.12900	4.0
407.14508	20.5
409.61029	1.3
413.16351	2.4
415.15817	87.8
416.16113	3.3
447.14594	3.0
450.12708	2.4
451.13461	100.0
452.13867	5.7
610.37213	1.2
650.79700	1.2
654.53394	1.0
844.04370	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	813.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70836	2.1
59.00970	4.7
59.01245	54.8
61.98708	3.4
64.77898	2.2
73.02812	2.2
88.87503	2.3
93.41250	2.5
108.02010	4.7
109.02808	7.6
113.71021	2.4
121.02825	14.7
122.03566	4.9
123.04395	6.7
124.53452	2.2
128.38902	2.7
134.03632	9.7
134.75771	2.6
136.01556	9.0
137.33876	2.2
144.03690	2.9
147.04337	4.2
149.05960	8.8
151.03900	7.7
159.04472	4.7
160.05215	9.3
161.06001	5.3
162.25963	2.5
172.05257	4.2
173.05962	5.0
175.07600	8.6
179.03433	5.2
180.04108	2.6
189.05492	10.6
190.06294	18.9
195.06650	3.7
205.08643	21.3
296.10449	5.6
311.12894	8.9
326.11703	29.1
329.13943	5.7
341.13943	55.6
342.14261	4.1
381.20737	4.7
387.14255	3.1
393.21036	3.7
401.16086	100.0
402.16489	7.8
410.20645	4.8
411.21640	30.6
736.62000	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	813.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00120	1.0
59.01244	53.0
59.02494	1.1
69.03310	2.8
69.72607	0.6
75.34709	0.6
92.33025	1.4
92.33543	0.9
108.02023	4.3
109.02803	5.5
121.02812	12.9
122.03589	4.2
123.04381	6.1
134.03604	7.4
135.04382	1.5
136.01532	8.9
136.05167	0.8
137.02318	2.3
143.04861	1.1
147.04385	2.8
149.02359	1.7
149.05998	7.1
150.03111	1.1
151.03879	10.0
155.28558	0.9
158.03612	1.2
159.04433	6.3
160.05180	9.6
161.02335	1.2
161.06003	5.4
162.03148	2.3
163.03920	1.9
164.04706	1.1
166.02615	3.7
172.05240	5.2
173.05928	4.1
175.03856	1.3
175.07578	8.7
177.01834	3.6
177.05457	2.6
178.02682	1.4
178.06223	1.0
179.03384	1.1
180.04115	0.8
181.04990	7.6
187.07582	2.7
188.04698	2.3
189.05518	10.9
190.06279	26.1
192.04189	4.3
193.04964	2.2
194.02145	0.8
194.05739	1.2
195.06523	1.8
203.07086	2.8
204.07933	1.2
205.08640	22.4
209.08139	1.7
211.06023	1.1
281.08231	3.6
295.09756	1.8
296.10464	7.6
311.09534	1.0
311.12869	9.9
326.11612	26.8
329.13940	8.0
341.13940	67.2
367.19073	1.2
371.15430	0.9
373.12976	1.3
381.20721	1.6
386.13632	1.8
387.14453	2.4
392.42673	0.8
393.20886	1.9
401.16080	100.0
402.16452	2.1
403.14056	1.2
411.21741	20.2
753.37384	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00069	1.0
59.01242	52.4
66.47787	0.5
69.03304	2.0
69.03647	0.6
70.59798	0.6
92.33027	1.0
92.33550	0.9
94.17565	0.5
108.02027	4.0
109.02821	2.7
121.02808	12.6
122.03584	3.7
123.04399	4.0
134.03609	7.2
135.04387	1.2
136.01541	7.6
136.05220	1.2
137.02324	1.7
141.70541	0.7
142.64023	0.6
145.06462	0.7
147.04419	3.2
149.02306	0.8
149.05966	7.4
151.03903	7.9
155.28624	1.2
158.03630	0.8
159.04390	4.6
160.05194	9.7
161.05951	3.9
162.03049	1.4
163.03934	1.3
164.04726	1.0
165.05443	0.7
171.04347	0.9
172.05254	5.0
172.97755	0.8
173.05975	4.8
175.07553	7.8
175.59247	0.7
177.01910	0.7
177.05484	2.7
178.06277	0.9
181.04919	0.9
187.03851	0.8
187.07603	1.8
188.04761	1.1
189.05482	9.1
190.06277	20.0
202.06281	0.7
203.07089	2.7
204.07848	1.0
205.05579	0.8
205.08638	19.1
264.07916	0.8
265.61591	0.6
281.08231	2.7
289.85681	0.6
295.09839	1.1
296.10538	6.5
308.10596	0.7
311.09430	1.1
311.12830	7.9
326.11609	25.2
327.12225	2.0
329.13922	7.6
330.14215	0.8
338.65723	0.6
341.13943	58.5
342.14279	0.7
343.11792	1.1
363.16086	0.9
367.19598	1.3
377.17487	0.7
378.18463	1.1
381.20596	1.2
386.13696	1.3
387.14801	1.4
393.20709	2.9
396.19852	0.9
401.16077	100.0
402.16443	2.1
403.14011	2.2
411.21774	19.9
545.12012	0.8
670.19965	0.7
803.27094	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61722	1.4
59.01244	60.0
59.52851	1.5
61.98689	2.8
68.47849	1.5
69.03318	3.6
76.00785	1.3
91.48758	1.6
91.72792	2.4
91.91187	1.8
108.02031	6.8
109.02817	3.8
110.95476	1.6
121.02815	12.2
122.03617	4.9
123.04379	6.1
124.56337	1.7
134.03638	12.2
135.04370	3.0
136.01555	8.5
136.67516	1.8
147.04375	2.6
149.02242	1.9
149.05946	6.6
151.03903	7.7
159.04417	7.3
160.05226	11.0
161.05995	6.1
164.04761	2.2
165.05458	1.8
172.05226	6.2
173.05997	5.8
174.12311	1.8
175.07602	9.6
179.03336	3.7
187.07469	2.3
188.04726	3.0
189.05464	10.1
190.06270	24.9
203.07108	2.3
205.08659	20.1
206.21510	1.9
259.16080	2.0
295.09744	3.7
296.10516	3.8
311.12903	7.9
322.95227	1.8
326.11636	27.4
329.14020	7.6
331.30057	2.4
341.13937	66.4
361.18057	2.3
363.16089	3.2
367.60452	2.2
378.18448	8.6
381.20679	4.6
393.20746	29.7
394.20715	2.4
401.16083	100.0
403.97989	2.2
411.21802	40.9
470.32510	2.3
747.34442	2.2
781.45886	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	813.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61713	11.0
71.48476	11.1
78.24499	12.0
78.95728	17.6
95.42934	13.2
101.22169	11.1
106.64431	12.4
117.03342	35.0
119.04906	38.9
128.78574	11.2
141.02017	11.6
145.02802	100.0
163.03893	22.0
249.18602	31.7
282.83856	14.6
309.20609	18.5
323.29514	14.4
327.99167	14.9
407.14508	32.1
451.13571	72.0
539.19604	15.7
615.25116	17.3
643.98474	15.0
667.46393	30.5
813.48633	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81231	11.0
69.05340	11.7
69.24702	11.6
78.95737	17.7
80.62779	15.2
100.95242	15.1
101.02322	16.9
111.01819	14.0
117.03291	16.9
119.04903	41.3
121.64229	12.7
125.55791	20.5
145.02835	100.0
148.33057	15.3
163.03914	32.8
173.90131	15.8
201.73213	15.9
231.17578	19.7
327.27002	28.7
331.68512	15.0
345.28198	23.4
371.47321	16.0
389.26981	99.0
516.68597	19.9
616.87811	15.5
667.46283	30.2
790.78784	19.1
813.49512	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	813.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
77.47391	2.1
80.93552	2.0
81.98997	2.0
91.60994	1.9
97.98911	2.1
117.03326	27.8
119.04896	39.3
121.02850	4.8
131.53070	2.2
145.02837	100.0
154.71872	2.3
163.03909	24.7
211.07631	5.4
234.41151	2.7
253.09261	2.9
277.21802	6.4
389.27179	4.1
649.44885	4.1
667.45807	29.2
813.49750	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
65.32739	2.8
71.98907	3.3
72.65370	2.8
78.95777	3.5
80.09148	2.8
83.97386	3.2
92.79365	3.0
117.03316	35.5
119.04887	40.1
133.31387	3.8
145.02835	100.0
155.92482	3.0
163.03894	24.9
168.18066	3.7
174.66476	3.5
211.07697	9.5
277.21829	11.7
320.42490	3.5
327.26968	4.7
339.50336	3.4
389.27188	7.8
449.40991	3.8
451.72775	3.9
468.54248	4.0
507.51419	3.6
660.62415	3.6
667.45813	28.0
709.39191	3.8
733.23346	3.5
813.49500	58.6
814.48883	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	813.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25911	0.3
67.46796	0.3
71.69819	0.5
71.70145	0.2
80.16979	0.3
81.28831	0.3
81.50871	0.3
88.51366	0.2
91.72709	0.3
93.03349	0.6
99.77824	0.3
106.77020	0.3
117.03331	31.4
117.06612	0.5
118.04135	2.0
119.04897	40.3
119.08316	0.5
121.02824	4.5
121.37581	0.3
123.04391	1.2
133.02853	1.2
145.02840	100.0
145.07446	1.1
146.03163	0.6
162.03139	1.7
163.03911	24.7
163.26584	0.3
434.44122	0.6
441.25891	0.3
448.31677	0.3
508.83508	0.5
639.46533	0.6
649.44714	5.9
667.45886	28.1
668.46545	0.8
792.14502	0.3
813.49609	41.0
814.49506	1.5
826.01282	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25928	0.2
59.13535	0.2
60.63162	0.2
67.46810	0.2
68.61799	0.2
70.58265	0.2
71.69802	0.4
82.72065	0.2
84.63619	0.3
93.03323	0.6
98.14387	0.2
117.03326	33.2
118.04133	2.6
119.04892	40.6
119.08234	0.6
119.44430	0.2
120.05272	0.3
121.02814	4.6
123.04347	1.1
133.02835	0.9
133.20050	0.2
134.03598	0.5
144.97743	0.7
145.02834	100.0
145.07370	1.1
146.03180	0.6
147.04358	0.3
162.03114	1.7
163.03905	24.4
220.15643	0.3
221.95790	0.3
271.04172	0.3
295.43588	0.2
389.26779	0.3
434.43982	0.5
508.83612	0.2
573.05554	0.3
614.40228	0.3
621.44342	0.3
639.46637	0.7
649.44794	6.2
650.45129	0.5
667.45898	26.4
668.45935	0.7
813.49567	44.6
814.49878	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	813.508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59265	0.3
65.03815	0.5
67.01859	0.3
77.75605	0.4
82.00479	0.4
92.02554	1.0
92.06920	0.4
93.03313	2.5
93.07123	0.8
93.07637	0.7
95.01257	0.4
95.04896	0.4
106.04105	2.6
107.04890	20.5
108.02019	1.8
109.02811	0.9
119.04894	7.3
120.05742	0.4
121.02827	10.9
128.90909	0.3
137.02319	0.7
145.02867	1.1
161.09557	0.4
173.09682	0.4
175.11192	5.1
185.09717	0.5
187.11220	1.1
201.12784	1.1
213.12787	0.6
244.47745	0.4
280.67331	0.4
349.25467	1.5
351.26950	35.4
352.27249	0.9
395.25934	100.0
396.26086	2.8
416.28983	0.4
417.29364	0.5
465.41092	0.5
738.65503	0.4
813.50763	20.5
814.51251	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00974	0.4
59.01236	2.8
71.01237	15.1
72.19630	0.4
72.99158	4.6
73.02400	0.7
73.02804	13.2
73.95892	0.4
75.00726	0.9
80.99659	1.3
84.27393	0.4
87.00729	1.1
89.02298	6.2
97.99940	1.0
99.00740	8.5
103.00230	0.6
112.98650	3.3
114.99432	1.0
115.00236	16.7
124.98691	3.3
126.61008	0.5
133.01273	1.7
142.99745	3.3
161.00761	0.6
177.01799	0.5
204.99831	100.0
206.00288	1.0
235.80386	0.5
305.06454	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31648	0.3
59.01235	0.4
61.59228	0.3
66.92965	0.4
72.97134	0.3
73.71297	0.3
78.77289	0.3
91.73376	0.7
107.01254	0.7
109.61360	0.3
115.71364	0.7
115.72179	0.7
118.03209	0.3
125.02314	0.4
151.00266	2.4
158.01772	0.3
158.52156	0.4
163.00269	0.8
171.04343	0.4
178.99736	0.5
199.04034	0.4
203.03453	0.5
210.50883	0.3
213.01889	0.7
214.02757	0.4
215.03502	0.8
229.01401	2.0
230.02150	1.9
231.02927	1.1
234.05334	0.4
241.01448	2.5
242.02179	4.4
243.02979	2.4
255.02914	0.6
256.03702	0.4
257.00909	12.1
258.01718	5.4
259.02539	2.5
269.00995	2.9
270.01669	3.6
271.02512	3.6
272.03253	4.0
273.04102	4.8
274.04822	0.4
284.03497	0.4
285.00476	8.5
285.03909	1.2
286.01227	5.8
287.01993	7.2
287.05334	0.9
297.00372	0.9
298.01093	0.9
299.02002	1.4
300.02777	9.1
301.03546	8.0
302.04520	0.7
314.00970	0.7
314.04312	0.5
315.01535	26.6
315.05072	2.0
316.02026	0.7
316.05872	1.4
317.06711	0.9
328.02292	5.1
329.03067	25.7
329.06448	1.1
330.03833	25.9
331.04419	0.5
342.03583	0.4
343.04605	30.8
344.05396	22.9
345.06183	78.0
346.06543	1.0
358.06979	0.6
359.07684	0.4
387.07562	1.7
491.08325	2.0
506.10779	2.5
507.11505	4.3
653.17328	100.0
654.17792	3.2
695.17676	0.5
815.22437	2.3
815.35553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00974	1.9
59.01247	23.4
62.39231	0.8
63.60979	0.8
63.95274	1.0
65.22753	1.0
73.02253	1.1
90.55872	1.0
96.87427	1.2
109.02812	2.8
121.02809	2.5
122.03632	1.5
123.00712	1.2
126.50832	1.0
134.03600	1.5
135.04396	2.5
136.01540	7.3
137.02351	2.1
146.03629	2.4
147.04399	1.6
150.03105	1.4
151.03918	10.5
151.47745	1.0
152.01019	2.6
160.05159	1.4
161.06035	1.3
162.03123	3.1
163.03873	1.5
165.01767	1.1
165.05443	1.2
166.02583	1.8
167.03487	2.6
173.05995	1.2
177.01958	1.2
177.05470	3.4
178.02580	1.7
179.03464	4.9
179.07066	3.4
180.04230	6.6
181.05006	2.1
190.06212	1.2
191.07033	1.3
192.04242	1.1
193.05011	2.4
194.05789	2.5
195.06554	14.0
236.71152	1.3
238.06319	1.4
265.05219	2.2
265.08801	1.0
266.05865	1.7
267.06638	3.7
279.06677	1.4
280.07413	2.0
281.08136	5.0
282.09018	3.7
294.08951	1.2
295.09763	1.9
296.10483	2.0
305.08423	1.8
314.07983	3.8
319.09647	1.8
323.09467	1.4
328.09497	2.0
335.12885	1.4
357.09546	2.7
357.13626	2.5
358.09937	1.3
372.12350	1.7
379.15131	1.3
387.14633	6.0
425.19800	7.5
427.21246	1.2
443.20822	2.2
455.14764	1.4
471.18500	1.4
474.15491	1.3
495.54556	1.2
501.19119	2.8
509.89801	1.2
546.19043	2.0
561.21356	100.0
562.21704	3.3
815.29492	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	815.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	1.9
63.71572	1.5
67.11940	1.3
88.83519	1.4
109.02825	2.6
120.59555	1.4
121.02858	1.5
122.60831	1.7
123.00777	1.7
124.01473	2.3
125.02354	1.9
136.01508	2.5
137.02310	3.8
147.04462	1.9
147.51311	1.5
150.03111	9.9
151.00266	1.7
151.03889	11.8
152.01067	4.7
159.57184	1.5
160.01501	2.0
161.02220	2.4
162.03130	24.5
163.03886	5.1
165.05492	6.9
166.02643	4.3
167.03358	8.3
175.03963	2.2
176.01086	5.1
177.05508	5.8
179.03387	6.0
180.04202	65.0
181.04971	9.2
190.06447	1.7
191.03429	4.6
194.05856	4.4
195.06558	100.0
211.06044	1.7
343.11743	3.3
359.15045	3.6
373.12964	2.4
387.10678	2.6
403.14066	4.6
531.31989	1.8
616.19507	1.8
621.27008	14.8
815.35388	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	815.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.9
59.01218	0.9
78.95755	0.9
82.38023	0.8
99.02448	1.6
107.04895	1.8
113.09592	3.3
117.03354	1.2
119.04903	6.7
121.02798	4.8
133.06435	1.1
136.63654	0.9
141.12733	1.6
145.02820	3.1
163.03963	1.5
191.14323	7.7
202.94269	1.0
203.14452	1.0
217.15881	4.7
219.13858	35.8
229.15990	2.7
231.17496	17.7
235.13120	0.9
243.17526	11.9
245.19145	3.6
248.14230	1.3
279.23511	1.4
315.26788	2.3
325.25354	10.1
331.26447	4.2
343.26407	13.2
359.25879	6.1
361.27557	13.5
387.25436	72.7
388.25974	2.3
405.26474	100.0
406.26834	1.9
815.50708	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	817.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.0
63.02242	0.4
65.00186	0.6
65.04990	0.3
69.32085	0.3
73.02812	0.4
75.13144	0.4
83.01261	0.7
85.67493	0.6
85.67938	0.4
90.65667	0.8
90.82372	0.5
91.73241	2.1
101.02347	0.4
107.01246	2.7
108.02059	0.7
109.02821	1.7
111.54581	0.4
119.35672	0.3
121.02836	2.0
127.76289	0.4
135.00804	0.7
137.79022	0.4
141.22664	0.4
144.11960	0.4
148.01561	0.9
151.00256	11.3
151.01485	0.6
163.00275	3.1
169.01318	0.6
178.99765	5.7
183.04408	0.7
184.96504	0.4
185.06091	0.4
187.03972	0.6
195.29225	0.5
201.05507	0.5
211.03963	1.2
226.02675	0.9
227.03474	2.4
229.05034	1.1
239.03529	0.5
243.02950	6.2
245.04587	1.5
254.02208	0.9
255.02965	17.0
271.02496	34.7
272.03116	1.6
273.04001	1.4
283.02463	1.8
299.01846	0.7
300.02759	69.5
301.03528	45.0
302.03778	0.9
344.61737	0.5
447.09348	100.0
448.09708	3.8
626.20935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	30.3
65.60110	4.3
109.02754	6.1
110.32507	4.7
132.67859	5.2
135.04381	6.1
136.01547	29.6
137.02312	6.8
142.87819	5.1
150.03131	19.4
151.03909	31.1
165.05507	11.1
176.04660	12.0
178.02664	6.5
191.07025	8.6
193.05026	5.9
315.07013	6.0
709.26898	14.8
736.29114	6.0
739.27490	21.9
757.28937	6.5
759.31213	12.4
799.29706	100.0
817.30719	77.5
844.26837	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	817.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40940	1.1
59.01244	36.6
64.66396	1.2
68.41413	1.3
91.31929	1.2
93.70251	1.3
108.02014	7.1
109.02808	5.7
111.00716	1.7
116.50974	1.2
121.02805	3.9
122.03593	1.7
123.00729	4.2
123.04352	2.4
124.01506	2.8
134.03578	3.8
135.04436	2.1
136.01537	15.4
137.02367	9.9
147.04431	3.8
149.02324	2.3
150.03139	2.7
151.03893	11.5
159.04422	4.5
160.05183	4.5
161.02336	4.1
161.05965	6.3
162.03110	5.2
163.03871	4.6
171.04436	1.6
172.05278	2.4
173.05951	3.2
174.03142	1.8
175.03893	10.9
175.07610	2.2
176.04669	2.2
177.05475	4.0
179.03363	3.9
187.03957	2.7
188.04768	3.2
189.05482	8.9
190.06291	2.9
191.07097	3.9
193.04855	1.9
195.06596	1.6
201.05579	1.6
204.04233	3.4
205.05020	20.9
219.06560	7.2
227.07253	1.5
239.06996	2.1
241.05003	2.5
242.05901	3.3
255.06659	3.1
257.04474	3.2
257.08160	5.9
265.08755	1.6
269.08292	1.9
271.06171	1.6
279.06717	2.8
281.08215	3.0
282.08884	1.8
283.06290	2.7
290.07861	2.1
291.82758	1.6
293.08145	2.7
295.09955	2.5
297.11362	1.7
307.09692	1.8
308.06793	1.8
309.07996	2.1
309.11508	2.2
311.09390	2.1
323.09390	2.3
325.10892	2.4
337.10840	1.8
417.13260	2.2
431.15256	2.2
447.14505	3.2
455.14822	1.8
457.16946	2.2
461.16174	2.8
468.15601	1.9
473.16110	2.0
491.17233	2.2
501.19235	3.1
537.17950	2.1
551.19446	4.6
561.21594	2.7
565.20929	1.7
649.24634	1.8
667.25452	3.7
679.25800	2.5
697.26587	45.2
727.28143	3.3
739.27338	7.2
757.28741	74.2
758.29602	2.2
787.29065	3.6
799.30054	12.1
817.30865	100.0
818.31714	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	817.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	69.6
82.54599	0.8
109.02780	1.2
109.74044	0.7
116.20981	0.8
121.02818	1.1
122.03555	1.1
123.04409	1.6
125.71792	1.8
128.68857	0.7
134.03632	2.7
135.04449	1.9
136.01520	7.7
137.02299	3.3
146.03618	3.6
147.04448	2.1
149.02341	1.0
149.05960	1.4
151.03886	9.7
159.04367	0.8
160.05185	1.7
161.00023	0.8
161.05911	2.8
164.04596	1.0
173.05977	1.1
173.28566	1.4
189.05594	1.1
190.06331	1.2
194.95811	0.8
213.05434	0.8
214.06291	1.7
215.07086	3.5
228.04240	2.7
229.05118	1.5
241.05042	1.6
242.05771	1.8
243.06641	7.4
256.07507	1.3
257.08304	6.0
258.08984	5.6
269.08286	1.3
270.08862	1.9
271.09705	1.5
272.10562	0.9
280.07382	1.2
281.04660	0.8
281.08084	1.6
285.07590	0.9
285.11313	2.0
290.08078	6.0
293.08261	1.1
295.09760	2.2
296.10428	1.7
301.07330	1.3
307.09833	1.3
309.11368	1.1
310.11935	1.2
315.08749	2.6
316.09558	1.7
342.11365	1.4
348.08804	1.5
353.10284	2.6
362.10092	2.2
369.13467	2.4
447.14203	1.3
449.16171	1.4
462.17047	1.5
489.15771	1.2
490.16257	1.3
505.18600	3.7
507.16565	1.8
521.18048	1.5
522.18915	4.8
535.19885	9.1
537.21008	1.5
561.21204	8.8
580.19519	2.5
595.21899	100.0
757.29022	2.8
783.54285	1.2
817.30878	67.8
818.31232	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	817.345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.4
61.98684	1.3
80.28530	1.3
84.02018	3.2
108.02061	3.1
123.04403	2.5
124.01516	4.4
125.02299	4.6
137.02306	3.4
138.03125	2.5
139.03908	2.9
146.03607	1.4
147.04424	2.0
150.03139	1.4
151.03894	5.7
152.01045	36.7
153.01826	5.9
159.65822	1.3
162.03133	4.6
163.03909	3.6
165.01840	2.8
166.02669	1.4
167.03412	34.7
174.03250	2.7
175.03929	9.5
176.04750	4.0
177.05475	3.8
178.02603	2.9
179.03404	7.6
179.07036	4.2
180.04236	15.3
180.09480	1.6
181.04933	1.5
188.04655	2.3
189.05447	4.5
190.06267	10.6
191.07077	8.0
192.04272	1.5
193.04991	7.8
194.05734	2.7
195.06555	21.8
205.08661	8.2
207.06506	4.0
208.07332	9.8
280.39703	1.6
288.53314	1.7
297.11423	2.0
299.12708	2.2
301.10818	1.9
309.11258	2.3
359.15082	26.7
374.10004	8.6
377.17593	2.3
381.17068	4.9
382.18213	1.6
383.18597	4.5
389.12451	41.3
391.19208	1.7
393.17120	2.3
394.17853	5.6
397.20404	7.7
409.20413	10.0
412.18964	17.0
427.21277	100.0
428.21634	2.5
547.80438	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00066	1.8
59.01242	100.0
59.02565	1.0
63.15192	0.5
69.85006	0.5
71.00915	0.5
71.01231	2.7
78.95771	1.1
85.02821	0.7
87.00749	0.9
88.08862	0.5
89.02315	2.2
97.02822	1.5
99.00777	0.5
99.06137	0.4
101.02326	2.3
112.98705	0.6
113.02337	2.0
119.03386	0.9
125.02364	1.4
134.84853	0.6
139.00281	0.6
141.01578	62.8
143.03416	0.6
161.04453	0.9
172.95435	0.6
199.25508	0.6
219.14313	0.5
235.08205	0.8
243.04878	0.6
277.21744	8.3
284.56067	0.6
338.71609	0.6
359.21964	5.5
397.13495	13.0
407.30142	0.5
415.14542	2.7
419.11713	3.2
437.12741	5.5
442.34424	0.6
473.29550	1.7
539.86761	0.7
675.36377	1.1
697.34052	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	817.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57977	0.6
67.68391	0.5
78.95727	1.0
81.02141	0.5
81.21308	0.7
89.06229	0.9
89.06699	0.7
105.62348	0.6
106.04091	0.6
119.04901	5.1
121.02798	3.0
133.06453	1.2
145.02867	1.1
159.51437	0.7
161.09665	0.7
162.91711	0.7
180.07938	0.6
199.22206	0.7
247.20686	1.5
252.96550	0.7
259.20667	20.0
265.67050	0.6
275.20190	17.9
275.23096	1.1
327.26959	35.1
343.26401	3.5
345.28040	13.1
389.27017	100.0
390.27417	2.2
405.26837	1.7
526.46143	0.7
817.50977	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	818.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98671	0.9
65.00183	0.6
71.24236	0.7
83.01213	0.8
93.03310	0.6
107.01264	2.5
108.02039	0.9
112.87819	0.8
112.88458	0.8
114.84375	0.7
119.04839	0.8
121.02807	1.3
127.73721	0.5
139.98427	0.6
145.02835	0.9
148.01567	1.4
151.00259	8.2
159.21959	0.6
164.00996	1.1
169.01250	0.9
178.99747	5.9
199.03946	1.0
226.02640	1.2
227.03442	2.1
243.02966	11.6
254.02206	2.0
255.00848	0.4
255.02968	22.2
271.02490	52.5
272.02927	2.8
299.02036	3.4
300.02753	100.0
301.03488	10.9
340.91510	0.6
609.14636	24.5
610.15063	1.1
634.69623	0.6
755.18329	47.9
756.18402	2.7
756.74536	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98676	0.4
65.00185	0.7
65.31285	0.4
67.38815	0.4
69.03872	0.6
71.24225	0.8
71.24564	0.6
80.06880	0.4
107.01230	1.6
108.02015	1.0
112.87856	0.6
112.88505	0.7
121.02813	1.0
125.02274	0.7
145.02802	1.1
148.01534	1.1
148.14894	0.5
151.00249	7.9
163.00246	1.1
164.00978	0.6
178.99748	4.6
190.99719	0.5
215.03406	0.9
216.04280	0.6
226.02713	1.1
227.03523	2.1
243.02972	9.9
244.03592	0.6
254.02225	1.8
255.02968	25.0
271.02484	50.4
272.03113	1.8
299.01941	3.4
300.02753	100.0
301.03452	10.9
322.94803	0.5
355.04578	0.6
505.09406	0.7
591.14130	1.1
609.14685	24.2
610.15045	1.1
755.18323	44.7
756.18628	2.0
764.76233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	0.4
61.49951	0.2
61.98693	0.7
65.00179	0.5
69.03878	0.3
71.24215	0.7
71.24561	0.4
74.03097	0.3
76.16060	0.3
80.73731	0.3
92.88787	0.3
101.02236	0.3
107.01260	1.2
108.02019	1.0
109.38004	0.3
112.87895	0.6
112.88686	0.6
121.02808	0.5
135.00713	0.7
138.26416	0.3
148.01550	1.1
151.00264	5.0
152.01059	0.4
163.00291	0.9
164.01053	0.4
169.01399	0.4
178.99782	3.6
189.02190	0.3
199.03967	0.5
203.03430	0.3
226.02611	1.5
227.03467	2.0
243.02972	9.3
244.03653	0.8
254.02255	2.3
255.02977	24.4
263.37643	0.3
271.02493	53.6
272.03024	1.9
299.01865	2.5
300.02756	100.0
301.03476	5.3
343.04599	0.4
672.42712	0.3
755.20459	54.5
756.20514	2.6
783.80627	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56518	3.4
76.53891	3.4
76.87735	3.4
87.05513	4.4
103.30421	3.8
129.10226	14.9
169.53374	4.2
179.56537	3.7
182.12755	3.8
183.11307	4.0
200.13957	6.3
207.15025	13.5
224.17552	6.3
242.18790	12.0
259.14557	5.1
295.21307	10.1
312.17010	6.7
319.01553	4.5
337.26202	4.7
415.14929	4.8
516.86841	4.6
646.30481	5.2
708.01410	4.8
711.38611	5.0
782.51965	100.0
783.51678	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	819.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31514	0.2
66.83974	0.3
69.54568	0.2
79.95589	4.0
85.85133	0.3
93.03296	0.6
96.95869	100.0
96.98341	1.6
107.81535	0.2
120.99526	3.3
121.02866	0.7
126.34327	0.3
133.90869	0.3
134.03716	0.4
135.04405	0.4
137.08740	0.3
143.91650	0.3
145.76523	0.3
178.02634	0.6
226.06346	1.2
227.07217	0.2
236.51015	0.3
241.08784	0.3
241.20264	0.3
270.05392	0.6
271.06256	0.8
282.05429	0.5
285.07712	1.3
297.07669	0.7
315.08820	0.8
380.80698	1.2
395.04437	54.0
396.04898	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93311	0.7
58.99923	1.4
59.01244	100.0
59.02450	1.9
71.01261	2.3
73.02839	0.9
83.88535	0.8
85.02860	1.5
87.87136	1.0
89.02318	1.9
95.35438	0.8
96.07401	0.9
101.02322	1.9
113.02362	1.0
118.50877	0.9
125.02324	1.1
141.01584	66.8
163.26802	1.0
243.04784	1.2
266.50449	1.1
279.23288	10.0
361.23639	6.5
362.98199	1.0
397.13635	15.1
415.14819	3.2
419.11862	2.5
437.12698	5.2
438.96606	1.1
504.68484	1.1
677.37994	2.2
699.35016	4.7
791.47382	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.5
58.00468	0.4
58.99972	1.3
59.01241	100.0
59.02345	1.5
61.62082	0.3
66.53623	0.3
69.03325	0.5
71.01238	21.4
71.04885	1.8
72.99157	0.5
73.02802	25.8
75.00740	0.5
77.97246	0.3
81.03317	1.2
83.01237	7.8
85.02803	5.6
87.00749	1.0
88.91540	0.3
89.02299	16.3
95.01218	1.5
96.95898	0.4
97.02822	1.3
99.00749	0.9
99.04377	0.8
100.99504	0.4
101.02299	33.2
101.55666	0.3
113.02305	13.4
115.03870	11.9
119.03364	7.5
121.02815	9.8
125.02312	1.4
131.03354	2.5
139.11179	0.4
143.03360	4.7
149.04442	5.7
152.39722	0.4
155.03473	0.7
158.98843	0.3
159.02843	0.4
161.04443	12.3
175.14861	0.4
179.05580	2.2
191.14372	0.4
193.15906	3.7
203.05630	1.3
221.06662	2.5
225.05602	0.8
231.44098	0.4
237.14923	4.1
255.15965	3.0
297.17145	0.6
313.07242	2.6
315.18219	0.6
357.06357	0.6
357.19012	0.5
401.08783	6.6
417.21310	10.7
569.20636	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.5401
Annotation	Unknow
Peak:m/z	Relative Intensity
67.85959	1.9
70.83971	1.7
81.05723	1.6
119.04893	12.9
121.02835	7.9
133.06430	4.8
148.17227	2.0
150.81842	1.8
163.04010	1.9
175.11316	3.0
177.65398	1.8
182.86159	1.8
189.12784	2.7
229.15965	16.8
231.17519	84.0
232.17863	9.3
247.16988	9.9
259.20749	2.8
269.15317	2.6
296.06699	2.0
297.14676	37.8
315.15799	13.1
327.26923	28.0
328.27277	5.6
343.26511	3.7
345.28052	9.4
359.14792	16.5
363.29111	14.9
365.24579	6.1
367.26108	2.7
388.25253	2.2
389.26999	100.0
390.27374	17.4
391.27716	11.5
406.26950	2.6
409.23746	8.6
411.25223	45.1
439.70258	2.0
442.45908	2.2
455.24243	19.3
819.53516	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	821.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01215	0.4
61.95892	0.4
65.00187	0.4
72.99171	1.6
73.81377	0.4
76.84938	0.7
78.63557	0.5
85.33444	0.4
107.01235	0.9
107.60975	1.1
107.61723	0.8
108.02053	0.4
109.90957	0.5
128.03334	0.5
149.28766	0.5
151.00249	4.2
163.00349	0.5
164.00989	0.7
176.77063	0.4
184.05438	0.6
199.03975	1.4
200.04790	0.7
203.01736	0.5
214.02606	0.7
217.01187	0.5
222.44740	0.5
227.03505	2.0
236.05371	0.5
241.01399	0.6
242.02222	6.4
243.02974	11.9
244.03600	1.1
245.00963	0.8
254.02116	0.5
255.02983	6.1
256.03827	0.6
257.04550	2.4
270.01703	11.6
271.02496	17.3
272.03232	1.5
285.04037	8.6
286.04715	1.2
287.05600	1.1
298.01126	4.3
299.01981	21.2
299.05188	0.9
300.02756	37.6
311.05585	0.7
313.03561	33.2
314.04355	32.5
315.05121	98.8
316.05389	1.6
327.10886	0.8
357.06155	2.2
372.61716	0.6
384.13190	0.5
406.54501	0.5
461.07635	0.7
476.09827	3.1
477.10217	1.5
503.18982	0.5
623.16223	100.0
624.16669	2.1
665.17542	0.7
785.21497	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	821.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.8
59.01246	4.0
61.98692	1.5
65.03831	0.9
66.60445	0.5
69.03324	1.1
71.01233	4.7
72.99161	0.7
73.02805	21.0
78.95768	0.8
81.03310	2.9
83.04875	9.0
85.02805	4.4
87.00748	0.9
89.02307	3.7
91.12274	0.6
93.01006	0.9
93.03315	49.1
96.95862	1.2
99.00734	6.7
99.04370	5.2
101.02299	4.1
102.68835	0.8
109.02831	1.0
111.04386	21.9
111.25085	0.6
113.02301	2.3
119.03350	1.0
125.02285	1.1
129.01810	2.8
129.05443	1.4
137.02313	18.6
143.03362	4.5
155.03391	12.6
156.47102	0.7
158.68062	0.7
173.04462	100.0
174.04794	1.0
179.05511	1.1
220.14757	0.8
221.15480	2.0
235.08241	1.9
236.10585	1.9
249.18605	9.1
300.28619	0.7
305.08505	0.8
327.29691	0.9
397.13531	20.8
415.14624	6.9
602.29498	0.8
718.19940	0.8
770.63837	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.0
58.00462	0.9
59.01247	4.6
61.98676	1.3
65.03796	1.3
65.26846	0.7
69.03331	1.0
70.47532	0.7
71.01241	5.5
73.02807	21.7
75.00764	0.9
81.03309	2.4
83.01243	1.0
83.04881	8.1
85.02798	3.4
87.00752	1.7
89.02303	5.5
93.03316	51.5
96.46982	0.9
96.95897	2.4
99.00757	6.6
99.04379	7.3
101.02302	4.5
111.04380	22.4
113.02287	1.6
115.35526	0.8
119.03316	1.0
125.02301	1.4
129.01817	2.8
129.05457	2.7
137.02328	19.6
143.03383	4.0
144.62329	1.1
155.03410	13.3
173.04463	100.0
179.05452	1.6
192.68332	1.1
196.32904	1.0
235.08287	1.8
249.18616	9.6
397.13504	22.4
411.94095	1.1
415.14560	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	821.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	0.5
59.01244	6.9
65.28738	0.5
65.61037	0.4
66.23679	0.5
67.01737	1.5
71.01237	6.6
72.99143	1.1
77.91247	0.4
78.95757	7.3
83.01231	1.3
85.02802	20.0
85.74229	0.7
85.74689	0.6
87.00726	23.3
96.95867	0.5
96.96807	0.7
101.28809	0.5
102.27211	0.7
102.27781	0.8
107.04862	0.4
112.98648	1.5
113.02282	1.0
115.00231	18.9
118.17239	0.5
119.04893	1.6
121.02796	1.0
121.10078	1.2
129.01796	3.1
133.06503	0.5
152.99478	19.2
157.01311	18.4
163.03932	0.7
175.02382	9.4
203.14314	2.4
219.13823	0.8
229.15971	0.6
231.13823	1.3
231.17514	4.7
243.17522	2.8
274.15646	0.5
277.21722	41.8
278.22058	0.7
291.19672	1.0
293.21277	1.6
309.20718	1.2
323.23810	3.2
341.24762	0.9
361.23743	1.1
385.23856	42.5
386.24121	1.7
435.23895	100.0
436.24295	5.0
459.25333	2.2
608.86340	0.7
786.75250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01217	1.2
59.49076	0.5
59.62170	0.5
77.11401	0.6
78.94065	0.6
78.95759	39.8
78.97640	0.7
84.52825	0.5
85.02783	0.7
87.00740	1.0
96.95863	0.7
96.96823	5.4
98.23022	0.7
121.02827	0.9
138.88919	0.6
150.97887	1.3
152.99472	100.0
157.01341	0.9
171.00540	4.4
231.17589	1.1
247.16940	3.3
277.21710	1.9
289.45386	0.6
291.19751	0.9
299.23715	3.4
309.20581	1.1
317.24777	1.8
361.23843	9.5
385.23846	1.3
435.24231	3.6
459.25189	37.0
460.25555	0.8
761.43311	1.5
783.55054	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5275
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56078	4.6
62.43019	4.8
78.26018	5.0
80.18015	5.7
96.95878	17.0
110.60442	6.5
125.51711	5.6
139.89458	5.3
167.03433	6.1
199.78909	5.6
247.20795	16.5
256.91061	6.7
265.21735	8.1
270.49548	7.3
294.84235	8.0
309.20749	20.5
327.21689	58.2
345.22839	100.0
419.26529	16.8
669.11365	8.1
756.68109	6.7
821.52606	91.1
822.51544	9.1
845.65961	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	823.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02836	5.4
58.03079	0.6
63.34237	0.8
65.22442	0.7
68.99660	0.9
73.59419	0.7
74.02326	14.4
82.02863	1.7
86.02318	7.0
86.98977	1.0
87.05526	3.1
88.83110	0.8
91.72803	1.1
96.95871	9.5
97.03975	1.3
97.69011	1.4
97.69552	0.7
99.00767	1.0
99.04427	1.1
99.05505	14.8
99.06101	0.9
101.07092	2.2
102.05500	1.3
107.06033	1.5
109.03956	2.3
109.10287	0.8
111.04392	1.0
112.03957	1.7
116.01646	0.9
123.05516	1.3
124.03857	0.8
125.03483	1.3
127.05048	2.0
128.03403	39.5
132.46126	0.8
135.05531	4.2
141.06599	4.0
143.04503	57.0
143.08638	0.9
145.06133	2.3
146.04463	4.1
153.06589	4.3
155.08136	0.9
160.00627	13.5
166.09840	3.1
167.04517	4.8
167.08186	1.7
171.04021	1.1
173.04414	1.2
177.03264	4.2
179.04539	13.2
181.06081	1.5
185.05600	1.5
192.07785	1.5
197.05699	1.2
198.08783	1.0
210.08780	12.5
228.09816	1.1
242.07692	1.4
242.92160	0.9
243.07085	2.7
254.07813	13.9
272.08908	20.7
288.06616	4.9
306.07660	100.0
307.08017	1.1
387.12473	1.1
394.25439	0.9
486.15408	1.2
498.15414	5.1
516.16583	50.5
517.17255	1.2
522.51868	0.9
691.69940	0.9
712.05267	1.1
754.08099	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
71.78558	0.2
72.97656	1.4
72.99165	100.0
73.00905	1.3
81.03307	0.4
82.61459	0.3
83.04879	0.4
85.02774	0.3
90.38589	0.3
91.04535	0.3
99.04398	0.5
106.64296	0.3
111.04376	3.2
113.02309	1.2
123.04384	0.3
125.02299	2.1
135.08089	0.7
136.05145	0.6
145.06454	0.3
148.64473	0.3
163.07523	1.6
179.10651	0.3
193.12253	0.6
203.10699	0.4
207.06583	5.6
207.10147	1.9
217.98010	1.3
218.09497	1.2
225.07605	1.3
257.15558	0.7
273.15036	0.6
275.12933	1.3
275.16476	0.9
301.14578	0.4
319.15491	24.7
320.15750	0.9
337.16571	8.4
338.17313	0.3
411.16629	66.5
412.17020	2.6
654.16949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
65.93606	13.1
71.28078	10.6
72.35197	10.9
82.15376	14.9
91.57006	12.6
92.26815	14.0
113.14744	13.1
127.29190	13.0
129.41702	13.1
146.03616	23.6
179.07065	33.5
180.04245	21.7
195.06519	100.0
247.74440	15.8
607.27667	17.6
804.90271	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38411	17.6
69.33727	17.7
74.52629	18.3
96.95864	42.7
146.03700	31.9
179.07072	74.3
180.04248	28.0
195.06596	100.0
253.84639	26.1
299.06998	23.7
311.05579	25.9
385.99472	27.3
508.72955	27.8
566.58710	25.2
610.02960	31.6
617.56079	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	825.353
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00466	1.9
59.01242	25.4
61.02417	0.7
64.93756	1.0
71.01238	24.7
71.34349	0.8
72.99186	3.3
73.02804	7.4
75.00761	1.3
76.79253	0.8
83.01261	16.9
83.21413	0.8
84.02045	2.1
85.02390	1.2
85.02789	5.3
87.00730	5.6
89.02351	1.0
89.55189	0.8
97.02621	1.4
97.06499	0.9
99.00677	11.4
101.02299	17.2
108.00562	1.1
109.02507	0.9
111.00527	2.0
112.01529	14.7
113.02297	11.4
115.00033	0.8
116.92719	1.0
123.00494	5.0
125.02197	4.4
126.25270	1.0
127.00269	2.5
133.50412	0.9
139.00072	1.1
140.00822	5.6
141.01575	15.4
141.98746	3.7
142.24207	1.0
143.03363	1.2
151.00011	15.2
151.01115	0.9
152.00792	1.7
153.01588	6.5
153.12787	4.2
161.04457	2.4
166.69611	1.0
166.99525	16.1
177.77324	1.0
183.02658	62.3
193.12024	27.9
195.13849	3.5
201.03691	4.6
207.10008	1.6
225.03841	1.4
227.01678	7.1
235.13113	4.7
237.11086	9.4
251.94783	1.2
259.13269	3.8
277.14203	12.1
287.12805	1.4
291.12338	1.1
297.17224	3.4
315.18036	2.2
337.16339	26.9
348.02869	1.0
355.17395	44.6
364.17493	1.1
367.14011	9.2
379.17404	19.5
381.15338	25.8
397.18439	100.0
398.18707	1.5
399.16348	29.3
423.17245	5.6
441.17712	2.9
443.74118	1.0
469.07825	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	27.8
60.65926	1.5
69.03316	2.8
71.01240	20.8
71.04870	6.8
72.99162	3.5
73.02791	3.0
81.03300	2.3
81.63168	1.7
82.40986	1.5
84.26489	1.5
85.02797	5.9
87.00742	1.8
89.02293	21.7
97.02808	4.8
98.51656	1.9
99.00711	1.8
99.04375	4.6
101.02302	16.7
113.02309	9.8
115.03877	37.9
116.92692	5.5
119.03391	8.7
127.03896	2.9
132.35898	1.8
139.11179	3.4
143.03391	2.3
151.07539	5.9
151.11203	2.5
161.04443	7.8
175.14708	1.8
179.05566	4.3
181.12283	5.8
187.07567	2.2
188.08354	2.3
193.15930	12.2
209.11746	2.8
215.14452	2.1
217.15921	36.4
235.16985	2.2
237.14920	14.0
245.15463	44.3
255.16028	11.4
261.14850	3.8
263.16550	7.6
271.02509	3.0
289.14642	9.1
297.17123	2.8
300.02744	4.8
314.05389	1.9
333.13486	27.9
351.14511	100.0
379.14020	6.7
407.13547	31.0
408.14487	2.0
417.21365	42.2
462.72870	2.0
679.37891	2.5
825.25433	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	827.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02797	0.9
81.03309	2.4
81.97697	1.2
81.98180	1.2
83.01231	2.6
91.87740	0.6
93.03333	1.1
95.04872	3.1
97.02803	5.2
100.60204	0.7
108.02012	2.1
109.02818	20.9
121.02789	2.2
122.03618	0.8
123.04392	14.6
124.01567	0.6
125.01453	0.9
125.02319	14.8
135.04390	1.7
137.02309	9.3
138.03162	1.4
139.03897	3.4
142.48343	0.5
146.03610	1.1
147.04395	0.8
149.02332	4.9
150.03082	3.3
151.03899	8.3
157.06465	0.7
159.04410	3.3
160.05135	1.4
161.02318	0.8
161.04716	0.7
161.05972	4.1
162.03064	1.2
163.03917	1.4
164.01045	3.2
165.01894	3.9
167.03384	2.0
171.74466	0.6
173.05968	1.5
175.03896	3.1
175.07550	1.8
177.01866	0.6
179.03436	4.9
185.06029	1.2
186.77940	0.5
187.03943	5.0
188.04742	4.5
189.05449	3.0
199.07660	0.6
201.05482	0.8
202.06329	2.2
203.07074	15.7
205.04973	6.6
212.04636	0.7
221.08093	3.7
225.05550	0.7
227.07098	2.9
229.04858	0.7
241.05058	6.5
242.05788	0.7
245.08179	14.1
245.76860	0.6
247.05954	1.0
255.06581	1.6
256.07382	5.9
257.08154	5.2
271.09970	1.2
279.06516	0.7
289.07196	70.8
290.07538	0.9
294.08954	1.3
297.07526	2.8
311.09268	2.9
312.10016	2.2
315.08823	0.8
327.12335	2.5
345.09842	3.9
357.13647	1.5
360.12158	13.5
375.14514	100.0
376.14539	1.5
533.02686	0.6
537.19794	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00058	1.5
59.01241	65.2
64.90180	1.2
78.97495	1.2
84.98787	1.2
86.45564	1.2
95.98885	1.2
108.72775	1.3
109.02835	2.6
121.02840	10.5
122.03577	7.5
122.93504	1.5
123.04404	2.5
131.49910	1.3
146.03650	4.9
148.05208	2.6
149.02325	2.5
150.03079	7.6
153.77406	1.3
161.05962	2.4
163.07468	1.7
163.53896	1.3
165.05464	9.3
177.01862	4.4
179.03360	2.9
180.04199	49.9
192.04245	7.8
193.04857	2.0
194.05806	5.0
195.06558	100.0
209.08064	2.1
212.18387	1.5
231.33037	1.8
260.75021	1.6
332.52377	1.5
357.13449	3.2
379.19339	1.8
409.20264	12.9
409.45483	1.6
417.15665	3.2
605.27917	2.6
644.51819	1.8
672.35516	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	827.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	64.3
59.02374	1.5
59.43812	1.1
61.74706	1.3
61.98671	1.1
78.36457	1.1
93.03308	1.6
108.02029	6.5
108.49570	1.3
109.02821	3.5
121.02812	12.8
122.03610	8.4
123.04385	6.5
125.02361	1.3
130.18619	1.1
136.01488	1.5
137.02368	3.3
137.05948	2.1
146.03549	1.5
147.04401	1.5
149.02332	2.2
150.03120	7.6
151.00317	2.1
151.03880	1.6
161.06038	1.4
162.03093	2.7
163.03999	1.7
165.05495	10.7
173.06174	1.6
175.07608	2.0
177.01895	7.2
178.02625	3.5
179.03439	5.8
180.04198	49.2
190.06235	1.7
192.04170	8.3
193.04907	3.0
194.05806	7.5
195.06548	100.0
228.49387	1.6
269.55612	1.4
326.11755	2.6
341.14142	3.3
362.15082	1.7
373.33203	1.5
374.15613	2.2
377.17633	2.8
379.19101	2.5
380.16470	1.6
389.17365	2.9
395.18631	11.8
401.16205	2.7
407.18811	9.4
409.20230	13.7
417.15433	2.2
425.19791	4.1
508.06610	1.6
605.27942	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	827.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	87.6
70.09982	1.7
78.30740	1.7
81.87940	2.0
93.03357	3.4
108.02025	14.2
109.02802	19.8
121.02814	23.7
122.03634	7.8
123.00740	2.8
123.04379	16.6
124.01551	2.4
134.03624	16.2
135.04420	4.3
136.01529	13.1
147.04457	5.5
149.02409	6.2
149.05962	11.0
150.03156	5.1
151.03909	13.3
158.03708	2.2
159.04497	10.0
160.05185	16.3
161.06018	5.2
164.04721	4.2
165.05573	3.8
168.95528	2.5
171.04399	2.4
172.05255	9.6
173.05992	11.9
173.22223	2.0
175.03996	3.3
175.07573	13.0
177.01913	10.4
177.05563	5.5
178.02695	2.6
178.06339	2.1
179.03499	2.7
187.03929	2.5
187.07689	3.0
188.04796	2.7
189.05505	18.8
190.06276	31.2
192.04216	12.8
192.42255	2.4
193.05003	4.7
195.06776	3.0
203.07132	4.3
205.08673	29.9
209.06110	2.6
209.08397	2.7
210.06906	6.0
241.12398	14.6
253.12285	23.8
263.07242	4.8
265.08835	3.2
267.10339	3.2
277.08640	4.8
281.08365	4.6
283.13553	4.3
289.08740	2.8
293.08249	3.7
295.09811	2.7
296.10492	9.8
302.09570	2.7
311.09576	4.4
311.13040	16.9
315.87259	2.7
319.10086	4.9
324.58765	2.4
326.11600	39.0
326.15213	3.2
327.12473	13.2
329.14099	11.5
331.09738	2.3
331.13498	5.1
341.13965	74.5
347.12952	4.6
352.52237	2.2
359.12970	13.2
361.14600	11.8
362.15219	20.7
363.15909	4.0
365.17639	5.0
367.11951	2.9
374.15256	26.9
377.17618	86.4
386.13998	3.4
387.14902	2.1
389.17606	62.6
392.16443	3.1
395.18579	26.7
401.16113	100.0
407.18713	78.8
417.15845	2.5
425.20010	6.3
450.61896	2.5
749.33154	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	829.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88862	0.4
59.01236	0.8
60.98859	0.7
60.99168	13.1
63.84583	0.4
64.84332	0.4
71.81842	0.4
78.15078	0.5
88.98658	100.0
89.00845	1.5
89.99026	0.5
107.01254	0.8
109.37289	0.5
137.07550	0.5
145.02837	1.7
151.00264	1.0
227.03458	8.7
229.05145	0.6
253.09424	0.6
255.02988	16.7
255.05669	1.1
256.03757	1.1
283.02493	1.5
284.03271	26.6
285.04001	7.2
370.20532	0.5
459.05753	0.5
593.15308	6.7
739.18878	23.9
740.19122	1.1
741.20642	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.257
Annotation	Unknow
Peak:m/z	Relative Intensity
62.15640	0.8
67.01782	1.2
71.01248	1.2
72.99174	1.1
81.03315	0.9
83.04876	100.0
99.04399	1.4
99.08011	15.3
99.08535	1.0
101.02327	3.4
101.05943	18.7
107.04892	8.9
109.02869	1.3
109.06444	4.9
111.04377	52.6
119.04907	1.9
125.02319	4.6
127.03878	37.3
131.01587	1.0
134.03676	1.6
135.04393	17.5
135.05339	1.3
136.05130	4.7
146.91792	1.4
153.09134	4.2
165.12695	1.1
167.03391	1.0
171.02879	20.9
175.11182	14.3
177.01834	2.8
191.03319	1.2
193.12260	83.5
211.13480	1.2
215.02061	1.3
237.11292	1.8
255.12350	11.3
299.11313	9.5
318.79871	1.0
341.10681	1.2
343.10367	21.5
548.62677	1.2
773.17670	1.1
777.61444	1.1
828.77307	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	8.8
59.01523	1.2
61.98710	0.8
72.67973	0.8
72.99168	0.9
81.72510	0.7
91.72658	1.9
108.02032	1.3
109.02879	0.9
121.02815	7.9
122.03629	1.9
123.00744	1.0
123.04386	1.7
124.01571	2.2
125.02338	1.3
129.61771	0.8
136.01549	4.8
137.02328	4.9
139.00252	0.8
139.03885	1.7
145.02797	1.0
149.02245	0.9
150.03146	8.7
151.00298	1.8
151.03902	12.0
152.01035	5.3
160.01530	1.1
160.05347	0.8
161.02383	3.0
162.03123	26.8
163.03922	4.7
165.05513	4.3
166.02625	2.8
167.03416	9.5
175.03943	1.5
176.01024	4.0
177.01907	2.8
177.05534	6.2
177.39607	0.8
178.02597	4.1
179.03418	6.9
180.04202	66.3
181.05003	4.1
181.06396	1.4
189.05579	1.1
191.03455	3.1
192.04175	2.3
193.04959	5.5
195.06561	100.0
195.13687	1.3
196.06914	3.8
197.07098	1.0
205.05054	1.9
209.04510	4.7
218.88153	0.8
247.13461	1.3
257.06088	0.9
327.12296	1.0
357.09808	2.6
357.13739	1.1
371.07565	1.4
387.10294	8.3
387.15381	6.5
388.11499	1.8
389.12589	4.6
401.08862	1.8
411.21732	1.5
417.15558	1.5
488.44980	0.9
635.25159	5.3
638.27350	0.9
693.70648	1.0
846.82788	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	8.8
59.01523	1.2
61.98710	0.8
72.67973	0.8
72.99168	0.9
81.72510	0.7
91.72658	1.9
108.02032	1.3
109.02879	0.9
121.02815	7.9
122.03629	1.9
123.00744	1.0
123.04386	1.7
124.01571	2.2
125.02338	1.3
129.61771	0.8
136.01549	4.8
137.02328	4.9
139.00252	0.8
139.03885	1.7
145.02797	1.0
149.02245	0.9
150.03146	8.7
151.00298	1.8
151.03902	12.0
152.01035	5.3
160.01530	1.1
160.05347	0.8
161.02383	3.0
162.03123	26.8
163.03922	4.7
165.05513	4.3
166.02625	2.8
167.03416	9.5
175.03943	1.5
176.01024	4.0
177.01907	2.8
177.05534	6.2
177.39607	0.8
178.02597	4.1
179.03418	6.9
180.04202	66.3
181.05003	4.1
181.06396	1.4
189.05579	1.1
191.03455	3.1
192.04175	2.3
193.04959	5.5
195.06561	100.0
195.13687	1.3
196.06914	3.8
197.07098	1.0
205.05054	1.9
209.04510	4.7
218.88153	0.8
247.13461	1.3
257.06088	0.9
327.12296	1.0
357.09808	2.6
357.13739	1.1
371.07565	1.4
387.10294	8.3
387.15381	6.5
388.11499	1.8
389.12589	4.6
401.08862	1.8
411.21732	1.5
417.15558	1.5
488.44980	0.9
635.25159	5.3
638.27350	0.9
693.70648	1.0
846.82788	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99965	1.0
59.01241	66.9
59.02385	1.3
77.79671	0.5
79.69657	0.5
85.49483	0.6
93.03328	0.6
108.02029	1.8
109.02788	0.9
121.02823	10.4
122.03602	8.3
123.04350	2.1
124.01576	0.6
137.02322	0.8
137.05963	0.6
145.02794	0.7
146.03621	4.9
147.04408	1.2
148.05139	1.6
149.02303	0.7
150.03094	6.3
151.03888	1.3
160.05177	0.6
161.02379	1.1
161.06000	3.5
162.03143	2.0
163.03896	2.1
163.07553	2.6
164.04663	0.9
165.05476	10.9
166.02646	0.7
167.21030	0.6
168.04204	0.8
175.03972	0.6
176.04755	0.9
177.01797	1.0
177.05513	1.0
178.02551	1.1
179.03371	3.8
179.07042	1.0
180.04189	49.7
181.04680	1.1
187.03932	0.7
189.05525	0.8
191.07056	0.7
192.04161	0.8
193.04994	4.1
194.05748	5.4
195.06552	100.0
196.06825	1.3
209.08141	1.3
291.44470	1.5
322.91464	0.7
327.12244	1.0
341.13705	0.8
343.11905	1.6
357.13495	5.6
364.17203	0.7
369.20044	0.7
381.20572	0.6
397.20343	0.9
401.15958	1.0
403.13916	3.0
411.21768	4.8
417.15543	1.1
427.21277	3.8
564.77100	0.8
588.23505	0.7
607.29559	4.2
761.21906	0.7
764.01038	0.8
770.40503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	53.7
59.02350	0.9
62.71132	0.7
64.99284	0.8
84.62788	0.8
87.01098	1.0
93.03284	0.8
96.78125	0.8
104.23962	0.9
108.02028	2.0
109.02806	2.6
121.02817	9.9
122.03598	6.3
123.04382	2.3
126.57414	0.9
136.01559	3.5
136.05161	1.0
137.05913	1.1
146.03613	2.3
149.02332	1.0
149.05991	1.0
150.03108	8.4
151.03874	4.9
161.05957	1.1
165.05487	9.5
166.02637	3.7
167.03497	1.3
167.84343	1.0
179.03386	7.4
179.07085	1.9
180.04190	46.3
180.09872	1.0
181.04967	6.4
183.17198	0.8
188.04543	0.9
190.06511	1.0
193.05032	1.6
194.05804	5.2
195.06555	100.0
196.06963	1.1
209.04445	1.0
209.08192	1.2
274.42981	1.1
291.44385	1.1
346.00217	1.1
357.10068	1.0
364.42389	1.1
387.14606	3.2
395.18723	1.2
403.13904	3.0
411.21814	3.0
511.14880	1.0
607.29443	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	829.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
89.04764	0.8
119.04896	2.9
121.02828	3.4
122.89294	6.6
158.92787	1.0
175.11198	1.0
193.95718	1.0
195.93846	1.3
196.94600	1.6
198.92403	1.3
207.96860	1.0
210.96161	1.6
214.95557	5.5
267.02634	1.6
305.04230	1.4
307.05591	1.2
321.07227	2.1
323.23819	2.7
333.07074	1.2
346.07996	2.3
413.13510	2.5
415.15033	14.2
433.16034	17.2
459.13998	100.0
460.14377	5.3
570.50928	1.3
793.41174	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	831.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23530	0.6
61.93684	0.5
66.08943	0.5
69.03305	5.4
71.01234	0.8
71.04881	1.1
72.98792	1.1
72.99168	15.7
73.02796	2.0
79.75725	0.6
82.47662	0.7
82.97705	0.6
84.80148	0.6
85.02794	2.8
87.69733	0.6
90.07587	0.6
91.73335	1.3
94.18009	0.6
97.02810	10.8
98.41525	0.7
99.04332	1.2
109.02831	0.8
112.99129	0.8
113.02307	53.2
121.02924	0.7
121.06457	0.8
125.02313	54.6
141.01820	6.3
143.03377	2.2
145.10791	0.6
149.05966	1.1
151.11118	1.5
165.05482	1.4
174.03165	1.2
175.03880	1.4
179.10712	2.4
194.26540	0.6
203.10783	1.1
204.11502	1.4
209.04605	0.9
215.14412	1.3
228.43440	0.7
231.10182	1.5
232.11005	2.2
233.15474	1.0
243.13924	2.2
249.11424	0.9
261.15060	4.2
275.12939	1.0
277.14490	1.0
287.12909	2.5
305.14032	2.3
307.11920	1.5
349.12918	3.7
367.13998	100.0
395.13495	11.3
423.12985	37.0
428.01138	0.7
443.99713	0.8
570.31659	0.9
720.84680	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00968	2.0
59.01244	31.8
59.94373	0.9
62.26409	1.1
63.24547	1.1
74.48380	1.2
91.01727	1.3
92.86096	1.3
93.03320	1.4
94.50780	1.1
108.02030	3.4
108.30531	1.1
109.02814	2.8
114.80637	1.1
117.17215	1.1
121.02814	2.6
123.04382	4.8
124.01501	1.7
134.03610	5.0
135.04373	3.3
136.01546	35.2
136.02592	1.8
137.02370	9.7
140.65237	1.1
145.02823	1.5
146.03616	1.8
147.04427	2.2
149.02338	3.9
149.05971	2.4
151.03893	30.2
152.01050	2.4
159.04433	3.8
160.05191	3.3
161.02362	1.7
161.05978	2.6
162.03134	8.0
163.03842	3.1
164.04642	1.5
165.05487	1.7
166.02637	2.1
167.03395	7.4
171.04312	2.3
172.05194	1.9
173.06000	2.6
175.03946	2.6
177.01851	2.4
177.05484	3.9
178.02643	5.4
179.03429	6.3
179.07094	1.4
180.04204	11.6
181.04849	2.4
187.04008	1.9
188.04808	1.6
189.05460	2.9
190.06305	2.5
193.05034	7.9
194.05858	3.3
195.06549	16.6
205.08492	1.4
209.06180	2.6
209.08153	6.8
213.05484	1.4
254.05672	1.3
265.05109	2.7
269.98059	1.6
277.05237	2.0
281.08215	1.7
291.06567	1.9
293.08234	1.7
319.10089	1.5
323.09494	1.8
339.08859	1.5
386.10828	2.0
387.10876	2.5
388.11517	2.3
397.11121	1.5
413.10162	1.8
414.11035	1.9
429.13278	2.0
435.12894	1.5
439.11420	1.8
561.21033	2.4
589.18835	1.8
617.21442	2.4
619.21240	1.9
621.22577	1.9
649.24335	5.1
679.25287	7.6
709.26501	14.1
711.27539	2.1
739.27649	30.1
740.28241	2.3
771.30737	7.5
799.29816	100.0
800.29657	6.1
831.32404	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	831.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	63.6
65.74416	2.0
69.03328	2.1
94.12046	2.2
96.95901	3.1
108.02081	2.5
109.02872	4.9
109.59238	2.3
121.02805	13.6
122.03664	2.5
123.04426	5.6
124.01550	4.1
131.80327	2.7
134.03671	7.9
135.04443	3.0
136.01607	6.9
137.02368	2.9
146.03659	3.1
149.02368	2.6
149.06015	7.6
150.03166	6.2
151.03961	10.7
152.01074	7.0
159.04494	8.1
160.05199	11.9
161.02280	2.9
161.06053	6.6
162.03104	18.2
163.03940	5.5
164.04726	3.9
165.05453	4.1
166.02667	2.8
167.03409	5.6
172.05252	6.0
173.06117	3.7
175.03995	2.9
175.07632	7.7
176.01125	3.3
177.01799	4.1
177.05553	7.3
178.02702	9.0
179.03406	12.5
179.07019	5.5
180.04222	29.1
181.05122	3.2
187.07448	3.7
188.04817	3.8
189.05557	9.1
190.06285	21.2
191.03545	3.2
193.05064	12.2
194.05785	9.4
195.06552	56.2
203.07170	4.1
205.08614	17.2
209.04597	3.5
209.08243	4.8
223.06027	3.6
281.08215	3.3
283.10095	2.5
296.10678	6.2
298.06799	2.6
311.13116	10.0
326.11612	26.2
329.14175	7.0
338.15378	9.0
341.13934	53.4
353.17490	19.4
355.12061	4.0
373.13031	3.6
387.10773	3.7
401.16074	100.0
403.14398	3.8
429.22934	27.5
577.21320	7.9
637.26886	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	831.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	1.0
61.46016	0.4
63.96092	1.2
68.74376	0.4
71.01236	6.0
73.02805	0.7
75.91541	0.4
78.98452	4.3
79.95592	20.8
80.94500	1.1
80.96374	56.1
81.03299	0.7
85.02795	2.7
87.00717	2.9
94.97942	14.4
96.95864	1.1
97.02811	1.5
99.00742	0.7
101.02292	2.7
103.09146	0.6
106.97965	3.2
111.86286	0.5
117.03356	0.6
119.38490	0.5
122.97467	4.0
125.02365	3.5
127.03886	1.2
133.84721	0.4
134.97455	5.4
136.99026	2.1
146.79550	0.4
148.99042	6.2
152.98517	6.2
157.21857	0.5
164.98534	14.7
168.34775	0.5
171.06615	1.8
206.99596	3.6
225.00703	22.6
241.00262	0.6
255.23215	1.5
283.04895	2.6
341.05548	2.1
355.07037	1.5
428.43445	0.6
459.15854	0.8
469.10736	0.5
537.27704	4.5
575.25140	0.9
609.29517	1.9
618.58362	0.7
623.30499	0.7
628.58350	0.6
637.32727	1.4
651.34009	0.8
665.36346	0.8
693.39069	1.1
733.42120	1.6
808.76184	0.7
831.49377	100.0
832.49512	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	832.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98693	83.7
61.99990	1.8
65.00174	1.1
72.83537	0.7
76.59721	0.8
80.77784	0.7
83.01268	1.0
90.53751	0.7
95.50243	1.0
99.59399	0.8
107.01249	2.5
113.45338	0.9
116.90693	1.2
117.03319	2.2
119.04912	2.3
120.87067	1.1
143.04939	0.8
145.02827	13.7
151.00256	9.1
163.03903	3.2
171.04323	1.2
178.99750	1.3
183.04413	1.7
185.02312	1.1
187.03935	1.6
199.03923	7.3
200.71413	1.2
208.91934	0.9
215.03404	3.7
227.03424	8.4
242.02217	5.0
243.02979	31.4
244.03442	1.1
255.02997	17.7
257.04517	4.2
265.07263	1.1
270.01721	3.7
271.02512	47.6
272.03101	2.3
285.04108	9.2
286.04837	4.1
287.05472	1.4
298.00842	0.9
299.01984	99.3
300.02740	19.9
300.05353	0.6
313.03546	4.9
314.04343	90.6
315.05109	29.7
443.10013	1.3
547.87866	0.9
623.16272	20.9
769.19958	100.0
770.20276	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	832.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.1
61.98692	63.4
62.00040	1.0
76.59737	0.9
83.01207	0.6
91.72775	1.3
107.01237	1.9
113.44744	0.9
113.45393	0.7
116.90841	0.7
116.91557	0.8
120.06707	0.5
120.87079	1.0
145.02827	1.3
151.00250	6.7
152.00967	0.8
169.01437	0.7
178.99803	2.2
183.04480	1.2
185.02327	0.8
199.03972	4.7
200.71490	0.9
201.01828	1.0
208.92255	0.7
211.04022	1.0
215.03522	2.5
226.02771	0.7
227.03447	7.2
242.00180	0.7
242.02155	3.8
243.02969	32.8
255.03004	12.6
257.04578	5.1
270.01663	5.1
271.02493	42.4
272.03125	1.7
285.04092	9.9
286.04810	3.6
287.05365	1.0
299.01974	83.2
300.02673	9.6
313.03525	2.7
314.04349	100.0
315.05057	17.6
489.58069	0.8
644.45551	0.7
769.22028	99.0
770.23035	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	833.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	100.0
59.02431	1.9
59.07681	0.7
60.04504	0.6
63.58045	0.6
64.69016	0.7
65.21060	0.8
67.44756	0.8
82.79291	0.8
96.33179	1.0
108.02061	1.2
109.02853	0.8
109.56851	1.4
123.04414	4.3
124.21026	1.1
135.67056	0.7
145.00259	0.9
146.03636	5.4
147.04341	1.0
149.05972	1.0
151.03908	1.4
161.06004	1.5
164.04710	2.0
177.35785	1.1
179.07021	0.9
180.04208	1.3
197.06021	1.6
199.07523	1.8
204.04285	1.0
207.06593	1.3
213.05562	1.5
214.06343	1.1
215.07130	6.9
219.06677	1.8
225.05530	1.6
228.04327	1.8
229.05087	1.3
230.05789	2.0
239.07108	2.5
241.05035	2.4
242.05891	3.1
243.06581	13.3
244.07249	2.4
245.08182	1.3
245.83420	1.0
254.05865	1.7
255.06697	1.2
256.07620	1.3
257.08212	3.6
258.08951	6.6
267.06567	4.4
269.08289	1.8
272.06793	1.2
273.07730	2.6
282.08975	3.9
283.06305	2.2
287.09311	1.5
290.07968	7.1
296.09979	0.9
298.08643	1.0
299.09363	1.2
301.07159	17.1
302.07886	1.6
303.08734	8.0
314.07745	4.2
315.08853	2.2
316.09521	29.1
317.10376	1.2
329.10205	4.0
330.11224	2.1
331.11829	9.4
335.81934	0.9
340.09424	4.0
348.04239	1.4
348.08511	28.9
355.11865	11.3
355.15939	1.4
362.10071	2.3
363.79858	1.0
374.10144	6.1
383.27686	0.9
389.12466	50.7
502.61288	1.0
551.19421	2.5
553.20697	1.3
577.20734	16.8
611.21381	70.0
612.21899	2.8
657.36646	0.9
755.27130	1.6
833.30365	75.9
834.31097	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	833.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00469	1.8
58.99924	1.2
59.01242	93.7
59.02407	1.6
66.46416	0.6
69.03328	1.3
70.99522	1.1
71.01238	58.0
71.02780	0.8
71.04877	19.5
72.99165	1.3
73.02809	7.7
81.03310	5.1
81.20858	0.7
83.01237	5.7
83.04889	1.8
84.02031	0.7
85.02802	16.8
87.00743	2.6
89.02297	62.0
89.04462	0.9
95.01249	3.7
95.04874	1.0
97.02819	8.2
97.06455	3.2
99.00732	2.9
99.04372	2.9
101.02303	44.4
107.04915	1.3
109.06438	1.0
113.02306	28.1
113.06012	1.3
115.00330	1.2
115.03873	100.0
115.07056	1.7
116.04230	0.7
119.03369	27.5
121.10110	2.3
123.07977	0.7
125.02319	1.5
126.03093	1.3
130.72237	0.6
131.03365	3.0
135.08008	1.4
137.09621	3.0
143.03369	5.8
149.04425	2.4
152.04338	0.9
159.02882	1.7
161.04451	17.2
163.11192	0.7
167.10655	3.3
173.13237	2.2
179.05518	11.5
189.12785	1.4
191.14343	30.2
217.12337	0.7
235.13367	32.6
253.14429	25.2
284.93848	0.7
295.15506	4.2
312.22067	0.6
415.19760	64.5
416.20062	2.5
512.80292	0.8
732.76990	1.1
767.82776	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5219
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18547	0.5
59.01241	0.7
70.35393	0.6
73.67915	0.5
78.95744	0.7
85.66291	0.5
91.72550	0.5
92.74726	0.5
97.02738	0.5
104.06144	1.0
104.06750	0.9
117.03328	27.7
118.04150	3.5
119.04897	33.7
121.02821	9.5
123.04383	3.2
133.02812	2.3
137.54051	0.6
145.02838	74.9
146.03177	1.5
152.99486	1.0
162.03094	4.3
163.03905	19.0
227.82336	0.6
285.86829	0.6
309.84125	0.6
415.24936	100.0
416.25330	4.8
417.26471	64.3
431.22653	0.7
659.02161	1.0
866.82996	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	13.1
84.87145	1.7
101.02293	2.1
123.04816	1.8
253.09297	3.0
277.21732	100.0
278.22284	3.2
446.90295	2.0
460.49817	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	834.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02842	3.9
61.87116	0.5
61.98685	0.5
66.03336	0.7
66.60744	0.4
70.22240	0.5
71.01254	0.5
72.00758	0.7
74.01945	0.8
74.02329	9.1
82.02825	1.0
85.07827	0.6
85.88095	0.6
86.02326	3.6
86.05952	0.8
86.98943	0.6
87.05484	2.2
90.00040	1.4
97.03945	0.8
99.05496	9.1
101.07063	1.6
102.05463	1.3
109.03910	0.5
109.07597	0.6
112.03891	1.7
116.01624	0.9
117.03351	0.6
119.04881	1.5
123.05483	0.9
123.97606	0.5
125.03407	0.9
126.01875	0.7
127.05015	1.4
128.03409	27.8
131.04489	1.1
135.05502	2.5
136.10886	0.5
139.05040	0.7
141.06570	2.2
142.99730	0.6
143.04507	38.6
144.01044	0.6
145.02841	3.0
145.06078	1.5
146.04485	3.2
153.06541	3.3
160.00627	11.2
163.03877	2.4
166.09740	1.8
167.04567	3.2
167.08115	1.4
170.03416	0.6
171.03955	0.8
174.04889	0.6
177.03313	3.7
179.04510	6.9
181.06078	1.5
184.10771	0.7
185.05577	1.5
192.07797	0.6
197.05621	0.9
198.08762	0.8
210.08775	7.2
223.21930	0.7
242.07776	0.9
254.07837	7.4
272.08875	13.6
288.06635	4.9
306.07663	100.0
307.07797	1.0
456.52264	0.6
531.24231	2.2
679.75922	0.6
687.31714	2.1
688.32135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14210	0.2
59.01246	1.7
62.82539	0.2
71.04876	0.6
72.38522	0.2
72.97327	0.5
72.99168	42.5
73.00802	0.6
73.02804	1.9
73.93020	0.3
74.85433	0.3
75.00732	1.7
77.11326	0.3
81.03323	1.0
81.99251	0.5
85.02816	0.4
87.00732	1.1
92.85245	0.8
92.85838	0.5
93.03331	0.3
95.04884	0.2
97.02818	0.4
99.04368	0.4
107.04916	0.7
109.02827	0.4
113.02317	1.9
123.04430	0.3
125.02319	22.1
127.03853	0.5
135.04420	0.4
137.02319	0.3
147.08005	0.3
151.11188	1.2
153.12740	1.1
163.07541	1.1
165.12747	3.2
175.11285	0.6
177.12698	1.8
179.14362	0.5
181.12251	0.7
183.13841	1.9
185.05957	0.3
189.05569	0.4
191.10677	0.5
191.14333	1.4
193.12306	6.5
200.08351	0.7
204.11310	0.3
205.15923	0.7
207.13797	0.6
207.17358	0.4
209.11752	0.7
211.13383	0.8
213.16510	1.0
215.14420	0.4
217.15984	1.2
218.22897	0.3
219.13876	2.4
219.17555	0.6
229.15936	1.4
231.13921	0.5
231.17506	2.2
233.15474	1.7
234.16296	0.3
235.13426	0.3
235.17047	2.0
245.15561	0.6
247.17032	2.2
249.18652	0.4
257.15454	6.2
263.16577	0.6
265.17996	0.4
273.15079	0.6
275.16550	8.3
277.14484	1.2
279.15942	0.4
291.16010	2.4
293.17505	1.3
301.14505	1.2
319.15527	34.5
320.15720	0.7
320.83441	0.3
337.16599	100.0
338.17032	1.9
411.16653	60.5
412.16901	1.3
423.13065	0.3
817.48804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.8
61.97353	1.8
61.98693	100.0
61.99883	1.6
66.25275	0.6
104.01962	0.6
140.82629	0.6
143.84271	0.8
161.79587	0.6
277.21863	2.7
278.22134	4.1
279.22333	0.8
475.30789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95788	0.2
79.95587	1.6
82.37514	0.1
91.73217	0.2
96.93242	1.4
96.95868	100.0
96.98140	1.1
123.34973	0.2
130.80916	0.2
145.02843	0.3
227.03514	1.0
229.04912	0.2
255.02975	2.1
256.03857	0.2
284.03235	3.4
285.04059	0.9
593.15601	0.6
739.18915	2.1
836.84546	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	837.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
66.38285	0.1
67.16958	0.2
71.77748	0.2
72.99148	0.2
79.95586	1.9
91.73470	0.3
96.95867	100.0
96.98327	1.6
113.02305	0.2
152.84816	0.2
189.01463	0.2
195.37685	0.2
227.03491	0.9
236.48708	0.2
241.12950	0.2
255.02946	1.1
279.42883	0.2
280.09662	0.2
284.03244	1.8
285.04092	0.4
298.66501	0.2
315.92474	0.2
412.16843	0.2
429.37415	0.2
507.60938	0.2
593.15448	0.3
630.45422	0.2
739.19000	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.2
63.30976	0.1
66.16561	0.1
68.16036	0.1
79.95591	1.5
82.75693	0.1
90.67094	0.1
91.73363	0.2
92.00221	0.1
96.95869	100.0
96.98477	1.4
97.71688	0.1
105.95413	0.1
108.89007	0.1
131.64929	0.1
151.00276	0.1
155.46411	0.1
176.09872	0.1
211.04012	0.1
227.03477	1.0
255.02997	2.1
256.03683	0.2
284.03284	3.4
285.04059	0.3
447.24457	0.1
625.98816	0.1
739.20892	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	837.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
61.45688	0.5
61.45973	0.4
65.22018	0.4
79.95589	1.4
80.96382	0.8
81.03315	0.2
85.26334	0.3
93.03310	0.3
95.95081	0.8
96.95871	10.6
107.99010	0.4
108.02030	22.2
122.97454	3.9
123.00759	0.3
123.04388	14.3
147.04449	1.1
149.06047	0.4
151.96010	0.7
152.01042	63.2
153.01387	0.4
166.97878	1.1
167.03403	100.0
168.03798	1.3
177.67003	0.2
195.62550	0.2
207.00923	0.3
229.01730	7.3
397.06009	57.2
398.06387	1.1
463.53900	0.3
611.42279	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
65.59103	1.9
69.03339	1.8
72.99179	2.8
75.27222	1.6
83.04879	2.4
96.95863	27.9
99.04414	4.6
111.04372	1.9
115.03895	2.5
122.03587	1.7
125.02355	1.8
127.03901	3.2
149.06030	2.6
151.07591	4.6
151.11172	2.8
172.64691	1.9
179.07051	2.4
181.12299	7.1
187.07657	3.9
204.11589	2.8
207.10413	2.6
209.11868	3.8
215.14462	6.1
216.11668	1.8
217.15927	50.1
218.16377	1.9
230.12962	1.9
235.00897	1.9
235.17154	3.3
243.13828	4.5
245.15436	58.6
246.15950	2.4
261.15076	3.5
263.16553	9.0
270.56619	1.9
287.12933	2.0
289.14407	9.7
307.15845	2.5
329.13904	1.9
333.13483	32.3
341.10117	3.9
351.14499	100.0
352.14899	4.4
373.12802	7.0
379.14224	5.8
401.12067	10.6
407.13483	29.1
429.11774	11.5
461.99225	1.8
622.40833	1.9
725.27576	2.7
781.27515	12.3
826.84015	2.8
837.25513	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	837.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21400	9.8
61.98682	14.5
65.51501	13.1
69.56779	10.0
71.44321	11.3
96.95885	20.4
98.19745	14.0
146.03629	16.6
163.03816	13.4
164.04715	28.4
179.07056	38.8
180.04170	39.7
194.05846	17.7
195.06537	100.0
311.21295	15.4
329.14120	22.3
393.17041	33.7
405.17242	32.4
407.18689	30.9
499.58304	15.1
579.72052	16.6
603.26215	38.8
699.70233	16.2
801.33954	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	837.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03316	1.3
66.59619	1.3
68.07748	1.5
80.12109	1.9
82.87528	1.4
83.12134	1.4
89.32426	1.5
89.97114	1.7
93.60139	1.7
94.73910	1.7
119.04961	1.9
121.02802	1.9
122.89298	4.9
177.42812	1.8
178.59444	2.1
210.96127	2.4
214.95711	5.0
284.56927	2.1
327.26877	4.4
419.18060	29.5
437.19183	32.6
463.17123	100.0
505.07376	2.4
801.47546	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	837.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55966	2.5
70.65810	2.5
71.01238	9.6
71.83636	2.6
73.74876	2.7
75.68530	3.0
77.84546	2.6
78.98449	6.1
79.95570	14.3
80.96373	82.1
87.00713	3.0
94.97940	21.3
106.97983	4.7
122.97455	5.3
134.97447	6.8
148.99069	9.3
152.98492	5.3
155.34476	3.8
157.06844	3.3
164.98529	15.5
167.07027	3.1
169.13400	3.0
169.85820	3.6
193.60622	3.2
195.17671	3.5
213.46164	3.1
224.23598	3.6
225.00674	20.8
288.62396	3.0
341.20215	2.8
405.00977	3.9
691.49341	3.4
837.48395	100.0
838.49255	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	837.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	18.1
69.09871	1.2
71.01246	4.2
85.02797	2.6
89.02298	4.3
89.93981	1.3
100.34018	1.4
101.02320	3.9
104.45993	1.3
110.42945	1.3
111.08000	11.4
113.02313	2.7
114.17166	1.3
119.04858	1.9
121.02866	1.7
125.35796	1.5
145.02841	2.9
153.12686	1.7
159.50880	1.4
161.04503	3.0
169.12257	4.8
178.32782	1.4
179.05524	1.6
197.11761	65.1
199.13336	3.5
211.13371	8.0
225.15024	1.5
230.87183	1.8
235.08224	4.0
247.16942	2.3
249.18590	100.0
250.18927	2.3
253.09294	18.8
259.20715	2.7
263.20215	3.5
275.20148	8.7
277.21802	4.6
291.19650	29.9
291.22687	2.2
309.20749	69.8
310.21011	2.9
327.26855	9.9
335.29749	2.1
341.23419	2.5
345.28052	4.2
363.29132	4.9
389.27011	30.2
456.46722	1.7
477.51831	1.9
527.28711	2.2
545.29797	2.3
684.59460	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	837.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	6.0
68.82166	0.5
71.01235	3.0
71.57020	0.6
72.69765	0.5
73.02786	1.4
78.95766	1.0
85.02796	0.9
87.00710	0.9
89.02277	2.5
101.02304	4.6
111.08013	2.2
113.02300	1.4
119.03380	1.1
119.04873	0.6
125.09592	1.4
141.09105	0.9
145.02899	0.8
145.04971	1.2
151.07504	1.5
161.04420	1.7
169.08626	9.8
171.10210	1.6
183.10182	2.4
190.01988	0.7
197.87018	0.6
219.17622	0.7
235.08237	10.7
235.17026	1.0
253.09262	12.3
253.11699	0.9
263.16513	6.9
277.21732	100.0
278.22113	2.6
281.17578	20.1
297.22275	1.0
341.21207	3.2
373.31012	1.1
513.30566	1.1
621.00494	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.411
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82310	1.7
71.78227	1.7
96.95890	2.3
121.02837	3.3
121.14129	2.3
122.89323	6.7
199.83775	2.7
208.50710	2.4
243.16463	2.6
278.98969	7.9
287.23761	4.3
293.00400	4.8
315.26965	5.3
315.47165	2.3
371.17004	4.2
399.20264	8.9
407.14499	55.5
417.21170	8.5
435.17822	7.5
443.18872	65.0
451.13434	100.0
452.13617	4.2
478.15332	4.7
479.16541	46.9
529.76752	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	841.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92319	2.9
61.98670	3.9
67.14770	2.7
79.95605	6.1
107.04880	4.1
122.89323	6.1
229.15967	11.4
257.19141	5.5
277.21875	6.6
282.40729	3.3
284.31210	3.6
311.11124	3.6
317.24747	21.5
320.06192	4.8
321.07065	21.8
323.08926	6.8
329.08521	17.3
363.25323	3.9
369.15344	12.6
371.16623	7.4
373.18411	29.4
387.25455	5.3
391.19598	14.1
395.16754	11.7
397.18393	13.4
407.14392	17.5
409.15973	9.0
415.19736	15.9
417.17380	92.5
417.23056	4.4
441.17325	92.7
453.15015	100.0
453.21570	5.2
473.16705	6.7
477.14999	87.9
521.11011	4.1
635.74835	4.9
691.36993	3.8
841.44464	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	843.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	59.8
69.41671	1.4
108.02037	2.9
121.02818	15.1
122.03597	10.3
127.04959	1.6
134.03682	1.6
137.05855	1.5
146.03595	2.7
149.05956	1.8
150.03128	10.1
161.05957	2.6
165.05429	11.6
177.01848	2.8
179.03381	2.6
180.04210	58.5
180.05798	3.5
186.80060	1.8
192.04192	1.8
193.05042	2.8
194.05794	4.4
195.06557	100.0
202.05493	1.7
253.12375	2.8
261.11450	1.8
359.12579	2.0
361.14221	2.0
362.15417	2.3
374.15060	2.3
375.78830	1.9
377.17627	9.1
389.17737	6.7
395.18634	5.7
407.18747	18.8
425.19650	4.8
510.04807	1.7
603.25848	4.1
863.78101	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	843.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	100.0
59.02366	1.5
67.56161	1.2
72.29699	1.5
93.03308	2.2
108.02038	13.3
109.02849	3.8
110.19081	1.4
121.02820	20.6
122.03625	10.9
123.04408	15.3
134.03641	2.2
136.01529	2.9
137.02313	3.1
146.03624	2.5
149.02361	2.9
149.06003	3.4
150.03142	11.0
151.03900	4.5
160.05171	1.5
161.05919	2.8
162.03123	2.0
165.05473	14.2
175.07570	2.1
176.04761	1.8
177.01865	3.6
177.05544	2.0
178.02583	2.2
179.03476	7.5
180.04195	71.9
181.04858	1.6
190.06288	4.2
192.04153	2.6
193.04964	1.9
194.05801	5.1
195.06552	88.1
195.13362	1.8
205.08664	4.2
209.08185	6.7
216.10716	1.6
245.11601	2.2
257.11819	2.5
269.11810	1.7
271.13461	4.7
283.13376	5.3
296.10641	2.1
305.81897	1.9
307.09735	4.0
311.12918	1.9
326.11557	4.9
331.13150	1.8
341.13760	6.9
353.13873	1.7
361.14404	2.1
362.15244	5.4
363.16089	2.2
374.15320	4.0
375.16049	1.9
377.17587	11.6
379.19159	2.8
381.17249	3.3
389.17792	5.3
392.16733	1.7
393.17123	5.9
395.18637	25.0
397.20178	1.8
401.16034	15.3
407.18677	25.9
411.18112	4.6
417.15588	7.5
423.18301	3.4
425.19769	33.6
441.19205	13.5
525.18280	1.8
780.60779	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	843.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	42.5
59.02407	0.8
61.98686	1.6
63.60246	0.7
63.60611	0.7
63.64560	0.8
67.30949	0.7
69.03328	0.9
79.62120	0.8
80.85692	0.8
108.02007	1.0
109.02827	2.9
113.12860	0.8
118.01532	0.9
120.65079	0.9
121.02803	3.1
122.03590	1.1
124.01614	1.0
133.56941	0.8
134.03656	2.2
136.01552	1.7
137.02339	6.2
138.03033	1.2
147.04456	1.2
148.65987	0.9
149.02356	1.5
149.05952	2.1
151.03833	4.1
153.05565	1.1
159.04352	1.6
160.05190	2.4
161.02309	1.1
162.03094	0.9
164.04698	2.9
165.16180	0.8
166.02660	3.3
172.05215	1.3
173.06003	2.3
175.03906	3.2
175.07532	3.0
177.01927	1.2
177.05481	2.8
179.07065	2.7
181.04987	3.9
187.03882	4.2
188.04753	1.3
189.05519	2.7
190.06277	6.9
191.07101	1.4
193.04994	2.3
194.05708	1.4
195.06644	1.1
196.52667	1.1
202.06396	1.3
203.03583	1.0
203.07101	2.2
205.04997	9.5
205.08580	5.2
208.07368	1.4
220.07370	10.6
235.09752	8.0
251.34653	0.9
296.07098	1.2
311.09250	3.9
313.10794	1.9
326.11676	2.0
341.10269	11.9
341.14017	4.9
343.11792	1.8
356.12753	13.9
359.14975	4.7
371.15002	40.3
372.15634	1.6
378.18314	0.9
401.12347	3.2
411.21997	4.5
416.14813	2.1
417.15619	1.7
419.78372	0.9
431.17126	100.0
432.17334	2.1
755.43585	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99156	1.8
65.00159	0.6
69.89716	0.6
71.08933	0.6
71.24244	0.7
83.01228	0.7
88.98667	11.8
103.36105	0.7
107.01253	1.7
108.02048	0.7
112.88531	1.1
119.04923	1.0
121.02802	0.9
121.49593	0.7
124.07813	0.7
137.50066	0.7
145.02791	1.5
148.01595	1.0
151.00244	7.9
153.55724	0.7
163.00328	1.0
178.99767	5.2
187.61720	0.7
226.02663	1.6
227.03455	1.8
243.02994	9.3
254.02205	2.7
255.02980	23.9
270.90051	0.7
271.02496	51.6
272.03070	2.5
299.01965	3.7
300.02762	100.0
301.03491	10.7
334.34961	0.7
429.07889	0.9
591.14520	1.2
609.14642	23.9
657.06110	0.7
755.18317	48.5
756.18628	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	845.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99155	0.9
65.40475	0.4
66.14899	0.4
71.24252	0.8
88.98664	7.0
103.65526	0.5
107.01232	1.0
108.02032	0.9
112.87952	0.7
112.88579	0.7
123.00789	0.6
137.83012	0.5
148.01483	0.7
151.00266	5.2
164.01085	0.7
177.14642	0.6
178.99699	3.3
195.91640	0.5
226.02629	1.0
227.03517	1.8
243.02959	8.8
254.02187	1.9
255.02959	24.7
256.03381	1.1
271.02484	47.8
272.02820	2.5
278.27811	0.6
299.01990	2.2
300.02756	100.0
301.03421	7.4
486.30304	0.6
570.55878	0.7
680.94373	0.6
755.20428	53.4
756.20959	3.3
829.00653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	33.2
69.03293	0.7
71.01239	27.8
72.99175	0.8
73.02812	3.9
75.00726	0.6
83.01246	1.1
85.02808	5.0
87.00730	8.5
89.00184	0.6
89.02298	46.0
91.72797	0.8
95.01224	1.7
97.02795	1.2
99.00725	1.1
101.02305	23.7
109.37234	0.5
111.00732	0.9
113.01557	0.9
113.02310	14.4
113.03099	0.9
119.02580	1.0
119.03358	8.5
125.02313	2.1
131.03374	3.0
136.49084	0.8
141.01833	0.6
142.92284	0.5
143.03398	3.7
145.23283	0.6
149.04442	1.4
161.04462	6.3
173.58217	0.5
175.43430	0.5
179.05527	26.2
182.18353	0.6
221.06630	22.8
265.20331	1.0
281.08865	1.0
290.00296	0.6
323.09818	2.0
341.10922	11.5
503.16232	100.0
504.16412	2.1
588.80292	0.7
670.27771	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	74.5
75.14221	4.3
105.49403	6.2
109.02812	8.3
121.02853	8.9
123.04384	4.9
136.01549	17.7
137.02327	9.0
138.68369	5.9
149.02342	8.2
150.03149	14.6
151.03920	26.5
152.01057	14.5
162.03136	24.6
163.03903	7.9
164.04636	5.0
165.05533	10.1
166.02678	8.4
167.03409	8.2
173.06013	5.6
175.03938	6.6
177.01779	5.5
177.05531	7.8
178.02617	27.4
179.03447	17.3
180.04187	51.9
181.04922	17.9
193.04977	32.2
194.05702	8.0
195.06537	100.0
209.08179	12.1
273.07941	7.9
290.66824	5.3
309.07925	6.1
359.15295	7.3
387.10876	12.1
403.14481	9.7
405.11838	8.2
469.30807	6.4
503.17560	10.0
591.22742	6.9
593.20709	16.9
625.22742	78.4
653.25775	11.8
815.28796	17.7
847.31940	92.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01219	1.5
62.18355	0.3
71.01236	0.5
71.04842	0.6
72.97453	0.5
72.99167	41.0
73.02787	1.6
75.00704	1.6
81.03300	0.6
81.99242	0.4
83.04906	0.5
85.02789	0.4
87.00735	0.9
90.17390	0.3
92.85229	0.8
92.85808	0.8
97.02835	0.5
99.04393	0.7
107.04854	0.6
111.04408	0.4
113.02316	2.0
125.02313	22.0
130.98651	0.5
147.08015	0.5
151.11171	1.2
151.76982	0.4
153.12717	1.0
163.07573	0.4
165.12749	2.7
170.15613	0.4
174.03142	0.4
175.03931	0.4
175.11096	0.5
177.12708	1.6
181.12250	1.0
183.13844	1.7
189.05415	0.5
191.14285	0.7
193.12291	5.2
199.07571	0.5
200.08348	0.7
205.15891	0.7
207.17461	0.6
211.13368	0.8
213.16475	0.6
215.14313	0.6
217.15948	1.7
217.97858	0.4
219.13841	2.0
229.15944	1.5
231.13965	0.5
231.17525	2.0
233.15398	1.3
235.17053	1.7
237.15022	0.4
245.15393	0.9
247.17007	2.4
249.14957	0.5
255.27940	0.6
257.15512	5.0
263.16568	0.6
265.18188	0.5
273.15042	1.0
275.16580	7.1
277.14395	0.8
287.12875	0.7
291.15994	2.0
293.17609	1.7
301.14609	0.5
319.15527	33.5
320.15891	0.5
337.16595	100.0
338.17053	1.8
349.20132	0.8
367.14032	1.8
391.21439	0.6
411.16650	72.6
412.16980	1.4
423.12939	0.5
455.09137	0.4
817.48456	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.395
Annotation	Kapakahine B
Peak:m/z	Relative Intensity
67.77197	0.5
68.99684	0.5
70.02823	0.7
71.01244	3.9
71.02352	1.5
71.04860	1.1
72.99167	4.3
73.02804	7.9
73.03910	1.9
75.00878	0.5
77.93210	0.5
80.54611	0.5
82.02843	2.2
83.02366	0.5
84.00758	1.6
84.04403	0.6
85.03933	0.6
87.05473	2.9
88.03892	22.8
91.05375	1.3
91.72755	0.8
95.02383	2.1
96.00765	6.0
97.02849	0.5
98.02328	3.3
99.01862	1.5
99.04440	0.8
99.05496	0.9
101.07067	6.3
106.04117	0.6
107.04890	0.8
109.02808	1.8
109.03942	3.2
109.06476	0.7
110.02329	0.7
111.01829	1.4
111.05525	0.9
112.01546	1.3
112.02650	0.7
112.03851	0.6
113.02276	0.8
113.03425	20.4
113.07088	1.9
114.01832	1.6
116.18841	0.6
119.04897	1.3
121.02820	3.7
121.06481	2.8
125.02306	1.6
126.01814	1.3
126.06588	2.6
127.04997	10.5
127.05913	0.9
128.04523	2.2
129.06554	5.0
129.10190	0.7
130.06107	1.1
130.08598	0.5
133.06479	3.1
135.00719	1.5
135.04431	1.0
137.02322	0.6
137.06073	0.8
137.07027	2.9
138.09164	0.7
139.08664	0.8
143.11745	0.7
144.07672	6.7
145.06070	8.9
145.28119	0.9
147.04428	3.5
149.05911	1.0
149.09595	0.8
151.07501	1.3
151.08659	0.9
152.07025	0.6
157.06105	0.8
158.05981	1.5
159.04341	0.9
160.10489	0.7
163.03899	1.7
163.11201	1.1
165.05434	1.5
165.10254	2.5
166.08598	1.9
168.07661	2.4
169.08554	1.6
169.09790	3.2
174.03203	0.9
175.03947	1.7
176.04665	2.0
177.05434	2.4
177.09084	1.1
179.11798	1.9
180.07710	7.2
181.09755	1.5
183.06398	0.8
183.11282	0.7
185.07132	1.7
186.06825	2.2
186.08765	2.4
187.10966	0.8
191.03450	0.9
193.09811	0.8
195.06468	0.7
197.10451	1.0
198.08783	2.0
203.08170	6.7
205.09741	2.2
209.04506	3.3
209.09276	3.2
213.10289	0.6
214.15488	3.4
215.11414	2.2
215.14371	1.0
220.10890	3.7
222.12471	1.7
223.10847	0.8
226.11990	0.9
226.15553	1.0
227.14348	1.2
229.11946	0.7
230.09395	1.4
231.13881	0.9
233.11839	2.2
233.15439	1.4
239.11549	3.1
240.09836	1.0
243.13933	2.4
250.15462	1.5
252.93948	0.7
256.10992	0.8
257.10046	0.9
257.12558	5.5
258.14664	3.3
261.11273	0.7
261.15002	1.2
266.11536	1.9
276.13562	1.1
287.12985	1.0
294.14752	0.7
305.13852	1.2
314.80820	0.6
316.11685	0.7
338.13550	2.1
348.16916	1.6
349.09305	4.4
349.12891	0.8
355.16269	12.6
361.13144	3.7
367.13965	6.2
368.14825	1.0
379.13962	2.2
385.17368	3.7
404.19455	0.7
405.11835	0.7
419.20300	0.8
423.12994	100.0
424.13434	6.5
461.21649	5.7
575.25989	1.4
728.34113	0.7
817.38489	3.9
829.38007	1.6
847.39594	61.8
848.39661	3.2
861.14502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
61.70664	0.9
62.48034	0.9
64.27442	1.0
67.22707	1.1
71.01233	6.8
72.49532	1.2
73.02799	1.1
78.95801	0.9
78.98444	6.4
79.95583	11.2
80.96372	72.3
81.03307	1.0
85.02785	2.8
87.00732	2.8
90.32028	1.2
94.97944	17.2
96.95860	2.0
97.02814	2.2
99.00745	1.3
101.02303	2.3
106.97950	3.1
122.97452	3.6
125.02361	3.1
126.23615	1.0
127.03928	1.0
134.97453	5.8
136.98972	2.0
137.10776	1.2
148.99016	7.0
152.98514	8.0
164.98544	15.4
167.43370	1.2
169.60420	1.6
200.84189	1.5
206.99586	4.1
225.00696	23.2
255.23132	2.2
400.54691	1.4
537.27777	2.3
582.60345	1.4
591.24634	2.0
711.79749	1.3
847.48901	100.0
848.49298	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	847.489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01221	0.8
71.01232	4.0
73.02804	1.6
78.65215	0.9
78.98452	5.0
79.95586	9.8
80.96372	56.2
85.02787	1.8
87.00732	2.3
94.97932	13.1
97.02864	1.3
101.02267	2.0
105.26556	0.9
106.97934	2.8
122.97453	3.4
125.02305	2.3
134.97488	4.8
136.98965	2.1
148.79599	1.1
148.99042	6.0
152.98505	6.4
164.98534	12.5
169.60559	1.6
206.99651	2.6
225.00681	19.7
255.23361	1.8
302.41895	1.1
304.86807	1.1
537.27063	2.8
591.25122	1.9
623.48505	1.4
847.48822	100.0
848.49213	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	849.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.3
61.60134	0.5
66.64610	0.4
72.99167	23.2
75.00729	2.1
84.94036	0.4
87.00719	0.7
93.03316	6.2
95.04842	0.6
97.84776	0.5
99.00716	2.4
106.04086	1.1
107.04893	12.1
109.02837	2.3
119.04912	1.6
121.02828	2.2
123.04398	3.3
125.02316	14.2
131.04890	1.0
133.02827	4.7
135.04422	2.6
137.02307	3.3
137.76759	0.5
145.30835	0.5
147.04411	4.0
149.02347	1.4
149.05972	6.2
151.03908	2.1
163.03896	1.9
164.01085	1.1
165.05475	57.1
166.05905	0.9
175.03885	2.5
177.01840	16.0
179.03413	17.4
186.63562	0.6
187.03979	1.4
193.04997	13.2
203.07141	1.7
205.04980	1.2
209.04503	0.7
211.06128	0.8
243.02844	0.8
245.08148	2.3
255.05109	100.0
256.05511	1.3
257.04416	0.6
260.58276	0.6
265.77307	0.5
273.04077	1.1
281.04425	1.0
289.07205	11.3
303.05084	2.2
337.50983	0.7
339.08762	1.4
360.52747	0.6
407.07748	13.2
425.08850	16.7
441.08353	0.6
467.09766	3.7
593.13086	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	849.472
Annotation	Unknow
Peak:m/z	Relative Intensity
60.31146	0.5
71.69786	1.0
71.70123	0.7
74.87968	0.5
96.63994	0.5
107.57471	0.5
116.84341	0.6
117.03324	27.3
118.04074	1.9
119.01611	0.7
119.04890	43.5
121.02807	4.5
123.04408	1.3
145.02835	100.0
162.03154	1.1
163.03902	27.6
280.69611	0.6
344.08511	0.7
434.43750	1.7
649.44940	6.4
667.45868	30.9
668.46014	0.9
813.49542	72.1
814.50586	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	849.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76683	1.2
78.87743	1.3
81.05585	1.2
91.73437	1.4
93.18483	1.3
111.11976	1.4
113.24796	1.6
115.94979	1.3
117.03330	26.2
119.04896	41.5
121.02831	3.8
133.02867	1.6
145.02838	100.0
162.03279	1.6
163.03914	28.1
191.32535	1.5
434.43668	1.8
649.44928	6.1
667.45728	30.8
732.61298	1.7
747.54315	1.9
813.49603	83.5
814.50537	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	849.4921
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19402	0.6
60.19674	0.3
61.80752	0.2
67.32722	0.2
74.83282	0.2
78.95762	54.6
78.97642	0.7
96.96824	4.6
96.97402	0.4
105.84924	0.4
114.92944	0.3
117.03324	2.4
119.04887	2.2
121.02838	0.3
133.02866	0.3
139.60640	0.3
145.02837	9.8
145.64650	0.2
150.97934	2.1
152.99478	100.0
153.04546	1.1
163.03918	1.8
171.00529	2.4
279.23276	1.8
297.18756	0.3
297.22897	0.3
333.20493	0.3
413.27090	0.7
414.05777	0.3
415.25128	1.0
433.23630	48.6
439.25211	0.6
489.28683	1.5
627.42175	0.3
657.31421	0.3
659.45544	0.4
773.45953	0.7
805.49042	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
70.00304	0.8
107.01185	0.8
123.89224	0.8
136.01411	0.8
151.00230	3.2
191.44868	0.8
199.04047	0.9
229.01176	1.0
241.01456	2.6
242.02206	3.9
243.02965	1.9
247.44057	1.0
257.00912	6.2
258.01675	4.3
259.02432	2.3
269.00998	1.9
270.01682	2.7
271.02332	2.5
272.03250	2.5
273.04025	3.8
285.00391	5.8
285.03760	1.7
286.01276	4.7
287.02017	4.5
287.05499	1.8
299.01984	1.1
300.02765	8.7
301.03561	6.7
301.06531	1.1
302.17746	0.9
315.01526	23.4
315.04926	1.7
316.05682	1.3
328.02356	4.6
329.03043	23.2
329.06659	1.0
330.03806	19.9
343.04611	29.2
344.05386	29.0
345.06155	88.9
346.06436	1.4
387.07306	2.2
461.28253	1.0
479.06555	1.0
491.08514	1.8
506.10522	2.9
507.11392	3.2
532.30591	0.9
653.17316	100.0
654.17670	2.5
815.22491	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	851.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
63.22408	0.3
67.15345	0.3
72.99158	0.9
77.52836	0.2
79.95590	1.4
80.02532	0.4
80.96384	0.6
91.01759	0.3
95.95103	0.4
96.93222	0.2
96.95869	12.0
96.98277	0.3
102.49467	0.2
104.42307	0.2
107.98920	0.3
108.02030	24.4
109.02328	0.2
113.72722	0.2
118.69649	0.2
122.97443	3.1
123.00641	0.2
123.04390	14.2
125.02265	0.2
135.04366	0.2
151.95770	0.5
152.01041	65.5
153.01372	0.4
162.03162	0.2
163.03883	0.4
163.11246	0.2
166.97319	0.8
167.03400	100.0
167.08670	1.0
168.03755	1.1
179.03395	0.2
179.07074	0.3
206.18369	0.2
229.15800	0.2
240.99001	0.2
244.00427	0.2
259.02805	7.7
291.16135	0.2
335.15112	0.9
353.16092	2.0
412.10822	0.2
423.12854	0.4
424.13275	0.3
425.13498	0.7
426.14023	0.4
427.07053	49.9
427.16428	1.3
428.07419	1.1
434.67960	0.2
644.41620	0.2
822.36713	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	851.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99175	2.7
75.41277	0.8
75.41724	0.8
76.45259	0.9
83.04874	1.8
85.38729	0.9
94.39568	1.2
94.40080	1.2
94.89155	0.9
97.02843	1.6
98.35516	0.9
99.04370	3.9
115.03850	2.3
125.02291	1.9
127.03880	3.2
136.05194	0.9
149.05995	1.8
151.07550	3.9
151.11121	2.3
159.04446	1.9
179.07057	2.0
179.10670	1.1
181.12285	8.4
209.11786	3.8
215.14403	3.9
217.15936	39.6
219.17593	2.5
233.15532	1.7
234.12666	1.4
235.17194	2.3
243.13783	2.2
245.15462	49.1
246.15923	1.0
261.14890	2.4
263.16519	11.9
289.14481	10.2
307.15457	3.2
333.13461	45.3
351.14502	97.6
352.14807	2.1
379.13928	9.6
407.13504	100.0
408.14047	2.3
443.11060	14.3
468.15515	1.0
473.68198	1.1
507.22662	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95592	1.7
82.95289	0.2
83.67645	0.1
85.90177	0.1
91.72681	0.2
96.93398	1.5
96.95869	100.0
96.98675	0.9
121.16010	0.1
145.45219	0.1
151.00250	0.4
167.70938	0.1
178.99779	0.2
243.03023	0.4
255.02979	1.1
271.02518	1.9
299.01938	0.3
300.02753	4.4
301.03479	0.4
525.89117	0.2
529.60461	0.1
542.55035	0.2
582.02209	0.2
609.14478	0.9
755.18298	1.8
756.60083	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	853.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
62.25298	0.2
71.18338	0.2
72.55861	0.2
76.12788	0.2
76.26673	0.2
79.95586	1.7
94.52528	0.2
96.93223	1.3
96.95866	100.0
96.98158	1.1
151.00267	0.3
168.77109	0.2
178.74190	0.2
178.99907	0.3
185.69168	0.2
197.61919	0.2
227.03542	0.2
243.02884	0.2
255.03107	1.1
271.02490	2.8
285.03885	0.3
299.02097	0.2
300.02744	4.0
301.03415	0.3
421.82239	0.2
431.09879	0.5
453.22733	0.2
498.39951	0.2
498.88403	0.2
549.91516	0.2
570.62592	0.2
609.14771	0.5
755.18079	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	853.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
67.42328	0.1
69.30822	0.1
79.95583	1.7
91.73363	0.5
96.95865	100.0
96.98336	1.4
151.00281	0.3
181.75291	0.1
192.87616	0.1
243.02951	0.4
255.02939	1.0
271.02499	2.2
272.18768	0.1
298.89392	0.1
299.02057	0.2
300.02759	4.4
300.19809	0.1
301.03360	0.3
301.51825	0.1
301.66098	0.1
328.69324	0.2
383.69006	0.1
469.60791	0.1
505.85846	0.1
755.20374	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	853.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98691	4.4
62.17567	4.1
62.80569	3.4
65.01765	3.6
75.47423	4.8
96.95887	16.8
110.03467	4.6
121.02879	4.4
123.00741	4.6
134.06360	4.4
136.01593	6.4
137.02382	4.7
147.04495	4.4
151.03967	10.2
158.34831	4.9
165.05511	5.0
167.03400	6.7
179.07117	13.0
187.43755	4.7
192.71333	4.5
195.06555	6.7
230.28333	4.2
306.83136	4.6
489.63760	4.8
527.19330	6.8
535.19983	9.7
595.21838	100.0
653.26270	5.9
757.27832	5.7
773.21423	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	853.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
65.07121	0.4
74.00003	0.3
82.01183	0.8
83.22733	0.4
92.02528	0.8
94.87170	0.4
106.04095	0.9
107.04863	1.3
110.56407	0.4
113.09592	0.7
119.04877	3.1
121.02824	2.1
133.06458	0.6
138.01212	0.4
152.99538	0.4
175.11198	0.4
183.53769	0.5
191.14330	0.9
203.14346	10.8
204.27501	0.4
219.13866	17.5
299.23810	31.8
300.24094	0.6
315.12299	0.4
315.23364	2.8
317.24832	14.5
325.20221	1.1
361.23865	100.0
362.24243	1.3
423.50342	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34750	1.1
64.35070	0.8
65.27495	0.4
71.01241	14.4
72.99165	1.5
73.02785	1.3
75.00716	1.6
78.95778	0.7
79.51122	0.5
83.01239	4.8
84.02018	0.8
85.02789	2.0
87.00731	22.1
89.02286	0.5
95.01242	0.7
95.04879	0.5
99.00736	2.2
101.02302	1.9
108.54983	0.5
111.00743	5.4
113.02290	1.5
114.96858	0.7
115.00236	58.1
115.68394	0.5
117.02558	0.9
117.03329	14.4
118.04121	2.5
119.04890	22.2
121.02812	6.2
123.04366	2.0
127.00239	1.3
129.01833	0.7
133.02802	1.3
139.00237	8.6
145.02837	41.5
152.99464	1.0
157.01326	8.1
161.04474	0.5
162.03136	3.0
163.03914	10.5
170.57631	0.5
175.02388	100.0
183.09985	0.7
195.10217	0.7
197.11745	1.3
207.13841	0.9
209.11705	0.6
211.13388	1.1
213.11276	4.0
219.10260	1.6
225.14948	0.6
233.11794	1.0
235.08154	0.9
237.11308	1.2
241.10980	0.6
253.09293	1.3
253.14450	0.8
261.11383	2.1
274.38132	0.5
277.21735	22.6
279.12457	0.9
415.24933	88.1
512.39453	0.7
714.45569	0.5
725.41486	0.8
737.41180	9.0
751.42804	3.9
755.42334	3.1
775.43079	1.3
793.43848	3.2
795.42004	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	855.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98694	0.4
64.54765	0.3
67.01748	0.6
71.01239	13.1
72.99184	0.9
73.02808	1.3
75.00728	1.3
83.01239	4.2
84.02031	0.9
85.02816	2.1
86.98704	0.4
87.00732	20.2
87.03028	0.4
89.02306	0.5
97.93867	0.4
98.01694	0.5
99.00741	1.8
100.41255	0.4
101.02316	1.6
111.00740	3.8
113.02284	1.2
115.00235	55.4
127.00258	0.9
129.01837	0.8
129.91998	0.4
130.05237	0.4
136.05151	0.5
138.99203	0.6
139.00247	6.9
152.99496	0.8
157.00037	0.6
157.01320	9.0
174.96507	1.2
175.02388	100.0
176.02788	0.5
177.12761	0.5
193.77556	0.5
195.13979	0.6
197.15479	0.6
211.13356	0.9
213.14897	0.5
223.13330	1.4
225.14859	1.7
235.08199	0.5
235.13342	0.6
235.17004	0.7
237.14873	1.2
237.18660	0.5
239.12895	0.5
239.16513	1.6
241.14449	5.8
247.13274	2.0
249.18591	8.8
251.12920	0.8
251.16307	0.6
253.09294	1.3
253.14413	1.4
253.18088	1.2
255.15796	1.0
261.14911	2.2
263.16528	1.3
265.14380	1.1
269.14035	0.7
281.17490	1.1
287.15109	0.7
289.14496	1.0
298.01205	0.7
307.15591	1.4
399.38260	0.5
457.73798	0.4
477.23062	0.6
505.23083	0.8
529.31274	0.4
543.24493	0.8
672.77490	0.5
709.41431	0.6
731.43707	0.5
737.41260	6.1
751.42865	3.3
755.42480	2.7
775.42523	1.1
793.43561	3.2
795.42017	2.3
837.41278	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	1.2
71.01237	15.4
72.99156	1.8
73.02797	1.9
78.95779	2.4
82.93761	0.9
83.01223	5.3
85.02816	2.6
87.00734	19.7
93.55656	0.9
94.82658	1.0
99.00719	1.9
101.02303	1.5
102.54151	0.9
106.66014	0.9
111.00730	5.6
112.80178	1.0
113.02282	1.4
115.00237	58.1
117.03320	1.1
119.04921	1.4
126.50305	0.9
127.00255	1.7
139.00261	10.1
145.02890	4.5
152.99452	2.2
157.01321	12.0
163.03896	1.7
175.02390	100.0
187.94005	1.0
190.39218	1.1
197.11855	1.2
211.13315	1.5
213.11250	4.6
219.10262	1.9
225.11307	1.2
233.11771	1.9
237.11458	1.2
241.14247	1.0
249.18507	1.1
253.09203	2.0
261.11368	2.8
277.21719	17.9
400.82288	1.0
415.24786	7.8
481.25931	1.0
497.59402	1.0
528.12793	1.1
737.41254	8.7
751.42688	4.9
755.41821	4.5
775.43085	1.8
793.44427	3.0
795.42279	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5274
Annotation	Unknow
Peak:m/z	Relative Intensity
61.33690	0.5
61.61981	0.5
61.98679	1.2
62.46771	0.4
71.01234	3.7
78.95757	0.5
83.96009	0.6
85.02814	0.9
87.00729	0.7
89.02287	1.1
89.94456	0.5
92.15266	0.5
96.95879	0.5
101.02275	1.2
113.02248	0.9
115.00224	1.9
117.03322	19.1
118.04105	3.0
119.04887	22.2
121.02822	7.6
123.04396	1.8
125.02328	0.5
133.02812	1.7
134.03589	1.2
144.98448	0.7
145.02829	53.5
146.03056	0.6
161.74123	0.5
162.03119	3.9
163.03903	12.4
172.03931	0.5
175.02361	2.8
216.70531	0.5
224.69823	0.6
277.21729	20.9
278.21902	0.6
291.23157	0.8
319.22650	2.5
327.21927	1.3
415.24911	100.0
416.25400	3.1
508.53738	0.7
866.83228	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12414	0.2
61.98684	0.9
71.01239	2.3
73.02824	0.4
75.00728	0.3
77.17102	0.2
78.95776	0.3
83.01247	0.7
85.02794	0.3
87.00726	2.6
93.03286	0.3
94.78175	0.2
96.53381	0.2
96.95866	0.2
101.02287	0.2
111.00706	0.5
113.02343	0.4
115.00230	6.3
117.00163	0.3
117.03327	17.5
118.04131	3.0
119.04892	23.0
119.08518	0.3
121.02822	7.5
123.04382	1.9
133.02821	1.6
134.03627	0.4
139.00247	0.7
145.02834	50.0
145.07677	0.4
146.03159	0.5
147.04535	0.2
152.99483	0.3
157.01321	0.8
162.03128	3.1
163.03909	12.0
175.02388	12.1
197.11789	0.3
213.11327	0.5
242.75253	0.4
277.21738	4.1
291.23346	0.2
319.22821	0.5
371.25934	0.3
415.24927	100.0
416.25238	3.5
521.66931	0.2
737.40637	0.9
751.42444	0.3
755.42395	0.5
793.43262	0.3
866.83179	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5274
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21885	0.3
67.79530	0.4
71.01237	3.1
71.22139	0.4
75.67326	0.5
78.73701	0.3
78.95735	0.6
79.72484	0.4
83.01247	0.6
83.95963	0.4
85.02805	0.7
87.00753	0.8
89.02270	1.0
93.03302	0.5
96.95851	0.6
101.02299	1.4
104.90449	0.4
113.02280	0.7
115.00255	1.3
117.03324	18.0
118.04140	2.2
119.04890	22.1
121.02812	6.0
123.04373	2.2
133.02805	2.1
145.02829	49.2
162.03116	2.6
163.03905	13.0
171.10185	1.0
175.02347	3.1
211.13412	0.5
225.31026	0.4
230.04718	0.5
235.08092	0.5
249.18619	3.3
253.09335	1.8
277.21719	17.0
291.23318	0.7
309.20825	1.0
319.22659	1.6
327.21799	6.0
331.22733	0.7
415.24918	100.0
416.25134	2.5
563.30646	0.6
737.41302	0.7
840.13843	0.5
866.81885	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02234	0.6
65.00172	0.7
69.03879	0.7
71.24227	1.0
71.24570	0.5
83.01227	0.9
84.62185	0.4
92.52396	0.4
93.03294	3.6
96.95870	1.1
97.90164	0.5
98.95443	0.7
102.45810	0.6
107.01241	3.1
108.02038	1.8
109.02850	0.8
119.04916	0.9
121.02800	2.3
125.02320	0.6
130.04083	0.7
131.04865	1.2
135.00827	0.8
135.01962	0.6
143.04884	0.6
144.05511	0.6
145.02797	0.8
147.00623	0.5
148.01556	1.4
151.00269	13.2
156.05687	0.6
157.06471	2.0
159.04379	0.6
159.08038	1.4
163.00249	1.2
164.01071	0.9
165.01941	0.5
168.16040	0.5
169.01324	0.9
171.04396	0.9
175.02385	0.6
178.99767	6.7
183.04356	0.6
185.05968	0.5
187.03908	0.7
192.00716	0.6
199.03961	1.2
203.03410	2.3
203.07135	0.8
211.03798	0.7
215.03319	0.5
219.06598	3.1
226.02608	1.7
227.03491	8.5
229.05193	1.1
243.02963	10.7
245.04523	0.8
254.02177	2.0
255.02986	38.6
256.03537	1.1
263.05545	1.2
271.02499	57.3
272.03101	2.6
273.03983	0.8
283.02332	0.8
284.03275	23.7
285.04105	5.1
299.02042	5.8
300.02765	100.0
301.03510	12.9
355.04575	0.9
376.36069	0.5
382.43109	0.5
428.57242	0.5
429.08127	1.2
591.13409	2.8
593.15216	21.6
594.15875	1.0
609.14667	31.7
610.15009	0.9
733.15833	1.8
839.20453	25.8
840.20953	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	6.7
71.01241	8.7
72.99168	21.4
73.02808	4.7
81.06888	1.0
83.01291	1.1
84.60671	1.0
85.02364	1.0
85.02791	5.6
89.02288	4.4
91.72747	1.6
97.02805	11.9
101.02313	7.1
111.04404	1.0
113.02305	30.4
124.98661	1.1
125.02312	59.5
129.01778	1.3
141.01854	7.8
143.03391	2.1
149.09575	2.0
159.87834	1.9
161.04451	3.0
173.06123	1.7
177.09064	5.4
179.05556	1.8
191.03539	1.6
191.10765	2.2
193.08739	1.2
195.10223	2.4
195.74510	1.1
202.06305	3.1
215.14145	1.2
219.10213	1.5
230.09363	1.3
231.13841	3.7
241.12372	2.7
247.09846	1.5
249.14995	1.6
259.13406	8.2
277.14377	3.7
297.47305	1.2
303.12527	3.8
313.16452	1.4
321.13403	5.7
331.17657	6.4
365.12433	5.3
373.18701	16.2
383.13513	100.0
384.13843	1.5
389.01184	1.3
395.13339	2.1
411.12848	7.0
439.12473	34.6
597.81537	1.3
680.05682	1.6
777.82385	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	9.3
69.03307	0.7
71.01239	17.6
71.04881	5.9
72.99147	1.3
73.02800	3.0
81.03307	3.0
83.01271	3.3
83.04856	1.3
84.02012	0.8
85.02802	8.1
85.99955	1.9
87.00713	1.8
89.02300	11.8
92.10640	0.5
93.03303	1.2
95.01244	1.7
96.95879	0.9
97.02801	3.6
99.00734	2.3
99.04379	3.0
101.02306	14.0
112.01511	1.2
113.02306	11.3
115.03875	27.5
119.03358	4.8
123.00511	19.8
125.02303	1.5
127.03910	1.1
137.02098	1.6
137.09589	0.7
139.11172	1.3
139.54602	0.6
141.01581	2.0
142.56906	0.6
143.03345	0.6
147.07130	0.7
151.03654	0.7
153.01567	2.1
153.12729	11.9
155.03207	1.0
159.02927	0.7
161.04445	2.6
163.11232	1.2
173.04445	2.1
175.02428	1.1
175.14851	1.8
179.03128	1.1
179.05560	1.9
181.12250	1.3
191.14336	1.5
193.15912	9.9
219.13879	1.3
237.14932	9.0
249.90569	0.5
255.15987	7.2
259.13138	17.8
260.13416	0.7
277.14218	6.5
297.16995	1.0
319.15164	2.4
321.13232	1.1
331.15338	0.9
337.16302	1.5
347.14771	0.6
349.16522	0.7
373.16312	0.6
417.21313	13.6
421.18414	1.3
439.19522	100.0
440.19885	1.9
455.16794	0.7
482.63690	0.8
483.18539	10.0
534.66901	0.6
857.41541	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	857.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60462	0.3
71.01241	1.2
72.99168	0.8
73.02805	4.6
81.90509	0.4
83.04885	0.6
85.02803	1.2
85.23882	0.3
92.32610	1.0
94.97109	0.4
95.94296	0.4
101.02299	0.9
121.06445	2.3
123.08032	0.5
125.02243	0.4
139.07532	15.6
179.14337	0.4
193.12411	0.5
219.13870	0.7
251.18065	3.6
255.17613	1.2
257.19186	0.7
259.20575	0.5
267.17630	1.2
269.19116	2.5
271.17163	0.4
273.18668	1.0
283.17285	0.5
285.18597	1.9
287.20267	2.5
289.16672	0.7
295.17194	0.9
301.18085	2.6
303.19745	1.6
313.18127	2.3
313.60037	0.5
319.15656	0.8
331.19174	14.4
337.16595	1.8
349.20236	100.0
350.20581	2.4
373.20178	5.9
377.36304	0.5
382.07059	0.5
391.21317	50.0
392.21820	1.4
407.73026	0.5
411.16760	1.5
421.20975	0.8
643.35175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01228	1.3
71.04873	0.8
72.98789	1.0
72.99168	14.3
73.02805	4.2
78.54462	0.7
80.86250	1.1
83.04871	1.8
85.02805	1.2
89.49917	1.1
91.72785	0.8
94.05553	0.7
97.02770	0.9
99.04363	2.4
99.08027	0.9
108.02017	0.9
111.04365	1.6
113.02285	1.0
115.03860	1.2
121.02857	1.6
121.06435	2.4
121.10103	1.6
123.08011	0.7
125.02317	4.5
127.03873	5.8
137.05962	2.1
137.09622	1.4
139.07506	9.7
140.04692	1.4
140.07819	0.8
144.85934	0.7
149.05939	1.8
149.09613	4.3
151.11224	0.9
151.19188	0.6
158.07251	2.8
160.01588	0.9
163.11191	1.3
163.60437	0.7
167.10686	1.3
171.04433	1.8
175.03955	1.1
179.10719	1.8
185.06090	1.3
186.06801	6.7
187.14737	1.0
193.12180	1.2
194.71008	0.7
195.10097	1.3
202.06343	0.9
203.07007	0.9
203.14424	0.9
204.07930	1.3
204.11537	1.5
205.15961	1.2
207.10237	1.2
214.09940	2.3
215.14366	11.3
217.15959	1.7
219.13847	1.1
225.12904	1.7
227.48434	0.7
231.10274	1.5
231.13966	1.4
232.10884	0.9
233.15492	5.9
243.13885	20.5
247.16962	1.0
251.18240	1.7
254.63570	0.8
255.17604	0.9
257.15302	0.9
259.13367	1.8
261.14990	8.4
267.17508	0.9
269.19168	1.5
271.17151	0.8
273.18265	0.7
277.09708	1.0
277.14517	2.8
279.15961	2.1
285.18631	1.8
287.12915	34.8
287.19894	1.1
288.13284	1.0
301.18109	1.5
305.13931	5.7
315.20801	0.8
319.15469	5.7
331.11978	3.1
331.19144	10.1
332.19504	3.0
333.19693	1.0
337.16568	16.3
341.45935	0.9
349.13168	18.7
349.20184	53.7
350.13593	1.4
350.20578	17.8
351.20807	6.8
367.13992	100.0
368.14197	3.5
373.20169	2.9
391.21271	22.1
392.21661	10.4
393.21997	4.3
395.13446	6.3
411.16650	18.8
423.12976	38.0
424.13208	2.2
447.22708	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
60.84320	3.3
72.44415	3.4
107.23940	3.8
108.02038	15.1
109.02816	6.0
111.04432	3.6
117.66395	3.6
121.02816	22.4
122.03590	12.8
123.04392	12.8
146.03651	5.3
148.01570	3.7
150.03088	16.5
158.21036	3.9
161.05981	4.1
162.03151	7.4
165.05493	19.9
177.01830	5.6
177.05461	4.4
177.33498	4.3
179.03481	5.6
180.04196	88.7
181.04558	4.7
192.04222	6.3
193.04961	7.6
194.05811	8.3
195.06554	100.0
209.07999	5.1
236.97520	4.2
267.10532	5.1
277.08609	4.0
280.07367	5.9
282.12421	4.9
293.08456	9.3
306.09045	4.8
360.13678	16.7
361.14380	6.2
375.16116	24.1
377.17844	6.9
379.15619	10.6
381.17053	16.4
389.13528	4.8
390.14740	12.8
393.17096	78.8
405.17108	58.2
411.18289	21.5
417.16153	8.3
423.18042	33.6
441.19293	12.9
586.67468	5.0
601.24792	8.8
619.25275	6.0
762.64130	4.6
763.31537	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	861.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01236	50.1
73.09507	1.6
80.33140	1.5
83.01237	2.2
85.02786	6.7
89.00163	1.8
89.02296	86.1
95.01268	2.9
101.02290	31.3
106.29913	1.8
113.02299	21.7
119.03365	28.2
122.03568	2.7
125.02346	4.9
131.03384	3.4
136.01547	1.9
143.03360	7.4
146.03659	3.2
149.04408	2.7
150.03085	3.4
158.34750	2.1
161.04494	9.5
162.03391	1.8
165.05467	3.4
177.01860	4.0
179.05522	100.0
180.04201	18.9
195.06552	30.6
248.44714	2.2
346.64401	2.0
412.19467	1.9
441.68582	2.0
537.19775	97.6
538.19897	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	861.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62812	1.1
64.42947	1.2
66.71793	1.3
69.03304	3.1
71.01240	51.9
72.99175	1.5
73.02810	7.8
81.03308	3.9
83.01235	5.7
85.02805	12.4
87.00710	5.5
87.04513	1.2
89.02296	62.2
89.02845	3.1
91.73354	1.9
95.01228	2.6
97.02812	5.6
99.00736	2.8
101.02303	41.0
109.02833	1.8
113.02315	24.3
119.03370	28.9
121.02801	5.0
122.03593	9.2
125.02316	24.5
131.03323	8.0
135.04428	1.9
137.02309	2.3
139.03896	2.0
143.03362	7.5
146.03618	28.5
148.34621	1.3
149.04352	1.6
150.03130	2.2
161.04449	10.6
161.05991	10.6
164.03409	2.4
164.04681	19.3
165.05467	3.8
167.03346	2.9
175.03923	5.1
176.04700	12.7
179.05533	20.1
179.07060	46.7
179.08633	2.9
180.04185	25.0
191.07057	16.3
195.06560	31.6
207.06538	4.6
215.26277	1.4
221.06599	20.0
245.06653	2.9
263.07724	8.1
291.52463	2.0
312.10049	2.2
323.09833	100.0
327.12302	5.6
345.13416	3.0
360.11929	1.9
375.14502	24.4
417.52576	1.7
519.17151	24.3
669.23969	5.5
699.25165	11.2
704.39410	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	861.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01239	48.5
71.01637	2.7
85.02821	3.7
87.00736	4.0
89.02296	86.1
95.01242	3.3
96.45457	1.7
101.02309	27.1
102.26229	1.6
113.02300	25.3
119.03365	32.7
121.02758	3.3
125.02316	4.6
131.03366	4.5
131.65651	1.9
136.27007	2.0
137.02277	2.9
141.56450	1.8
143.03397	3.0
146.03606	2.4
149.04451	3.2
150.03036	2.1
161.04463	7.4
161.05782	2.0
165.05444	5.1
166.98251	1.9
177.01814	2.2
179.05534	100.0
180.04190	14.8
195.06563	35.1
199.16611	1.9
234.15494	1.8
537.19830	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	861.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
62.77874	1.7
63.24609	1.4
69.03309	5.8
71.01239	85.2
72.99165	2.3
73.02802	17.9
81.03307	2.1
83.01235	13.3
85.02803	47.4
87.00726	18.9
89.02297	48.2
95.01241	5.1
97.02793	11.8
99.00731	26.1
101.02304	68.5
109.02802	3.1
111.00729	9.3
113.02302	53.7
113.03094	2.7
115.03790	2.4
119.03365	25.7
121.02811	5.4
122.03625	12.3
125.02321	18.8
129.01834	2.0
131.03391	9.9
137.02322	4.8
139.03770	2.5
141.01808	5.6
141.69139	2.0
143.03384	29.6
145.04971	2.2
146.03619	37.0
150.03075	2.3
159.02827	5.4
161.04459	49.7
161.05965	12.2
164.04698	25.0
165.05463	5.4
175.03870	5.1
176.04709	14.7
176.61896	2.1
179.05515	24.7
179.07068	45.5
180.04173	17.0
190.06366	2.0
191.07059	20.6
192.04286	5.4
195.06557	26.6
203.05579	5.1
207.06589	7.5
221.06607	35.9
245.06648	33.9
247.99858	1.8
255.79701	1.9
263.07721	35.1
287.07718	7.0
305.08807	10.0
323.09857	100.0
327.12213	4.6
345.13248	3.3
375.14566	25.9
434.69513	2.4
508.45676	2.0
519.17194	12.6
651.11487	2.2
669.23676	13.9
699.25128	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	861.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03310	3.2
71.01241	81.4
72.99142	2.2
73.02795	14.5
73.32179	1.9
82.12909	1.9
83.01228	10.9
84.02053	2.5
85.02306	2.8
85.02808	45.9
86.72806	1.9
87.00743	15.7
89.02305	43.7
91.10473	2.1
91.53839	1.8
95.01257	5.3
97.02818	9.2
99.00736	26.3
101.02308	60.5
109.02799	3.4
111.00763	7.1
113.02309	49.9
119.03352	20.4
121.02818	5.1
122.03591	10.8
125.02307	25.0
131.03391	11.6
134.03607	2.3
137.02353	5.2
139.03899	3.2
141.01822	3.1
143.03389	27.0
145.04959	4.9
145.38582	2.4
146.03639	33.7
148.39674	2.3
155.03365	3.5
159.02925	4.6
161.04465	48.1
161.05971	9.5
164.04688	22.8
165.05566	2.5
167.03339	2.5
174.16925	2.1
175.03926	4.5
176.04697	16.1
177.01871	3.0
179.05533	25.6
179.07076	43.4
180.04202	19.0
191.07060	20.3
192.04225	3.7
195.06549	22.1
200.04591	2.2
203.05583	5.9
207.06642	4.3
221.06598	34.9
245.06673	28.7
258.91891	2.3
262.83990	2.6
263.07724	36.0
279.56842	2.4
287.07721	3.6
305.08905	7.6
323.09851	100.0
327.12344	6.3
375.14606	21.2
519.17352	14.8
669.23938	13.8
699.25159	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
60.74883	0.7
78.33607	1.0
87.70004	0.8
96.95845	2.3
104.31833	0.9
125.02315	0.9
130.02640	0.9
240.31464	0.8
269.19031	5.0
283.17163	1.4
285.18475	1.8
307.16797	6.2
309.18356	18.5
327.19183	1.7
335.16266	9.3
351.15866	2.8
353.17053	4.6
355.18918	100.0
356.19254	2.2
371.18503	6.3
373.19611	3.0
375.21924	1.6
397.15323	1.6
397.20056	23.3
398.20142	1.0
399.17914	28.7
415.21658	6.6
441.18958	7.4
513.99371	0.9
731.40234	2.2
773.41223	2.9
838.41089	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.261
Annotation	Unknow
Peak:m/z	Relative Intensity
63.71281	0.5
69.03313	1.5
72.99168	21.3
76.71426	0.6
81.03286	0.9
85.02797	2.3
91.73333	0.6
93.03307	0.7
96.95867	0.9
97.02827	3.7
99.04382	0.8
99.07954	0.7
103.43990	0.7
108.02030	1.0
109.02816	6.0
111.00733	0.5
111.04401	0.6
113.02309	65.0
113.05510	0.8
115.52584	0.5
119.04810	0.5
121.02793	1.0
121.10062	0.7
123.27912	0.6
125.02317	28.8
127.03847	0.8
135.04378	1.9
137.02306	1.0
137.06041	0.7
141.01804	12.6
143.03384	1.1
147.04433	0.7
149.05939	0.6
149.09605	1.4
150.03036	0.7
151.00287	0.7
151.03958	1.0
151.11191	0.6
153.01834	8.7
153.09067	0.7
163.03934	0.9
165.09145	0.8
173.04462	1.9
173.05942	1.3
174.04895	0.5
174.06682	0.9
175.03850	1.0
177.01883	1.2
177.05568	0.6
177.09155	1.5
179.10678	2.5
183.90944	0.6
185.06052	0.6
186.06744	1.4
195.10229	1.0
200.04733	0.6
202.06317	1.0
203.10651	0.9
205.12361	0.7
207.10216	1.4
213.05669	1.0
215.14410	1.1
217.12276	0.6
219.10284	0.7
229.12326	1.0
230.09514	0.8
231.13872	3.0
233.15413	0.8
235.44939	0.6
241.12413	1.7
243.13921	2.1
245.12007	0.6
247.13281	0.7
249.15068	0.6
257.11835	1.3
259.13412	4.9
261.14996	1.2
275.12875	1.7
277.14420	1.7
279.12411	1.0
285.04230	1.5
287.01898	0.8
287.12906	4.3
291.12436	1.6
293.13940	1.0
303.12311	2.5
305.14127	1.6
321.13345	1.6
331.11844	1.9
339.14478	1.2
347.11121	0.9
349.12927	5.1
365.12512	5.6
367.13947	7.6
377.12631	1.2
382.12238	0.9
383.13525	33.4
393.11902	1.9
395.13412	2.6
411.13013	16.0
421.11215	4.3
423.12811	2.7
438.11829	0.9
438.18713	0.9
439.12497	100.0
440.12875	2.4
465.62201	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	863.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
67.14954	0.8
69.03316	7.0
71.01237	1.7
72.99165	26.6
73.02805	4.2
73.27180	0.6
77.72498	0.6
85.02819	1.4
89.74129	0.9
97.02796	12.4
99.04310	0.9
101.07704	0.8
109.02856	0.9
113.02309	25.7
113.03091	1.7
121.02841	2.4
123.04344	0.9
124.98706	1.1
125.02312	68.2
127.62793	0.9
129.01770	1.6
137.06018	0.8
141.01810	11.2
143.03397	2.2
147.04373	1.9
149.09575	0.8
151.78745	0.8
165.05431	5.1
167.10658	1.0
177.05492	1.5
177.09151	4.3
179.10638	1.0
188.04723	1.7
190.02635	1.4
191.03426	1.0
191.10660	4.0
195.10245	3.0
202.06279	3.0
209.04478	1.8
209.11853	1.0
213.12729	1.3
215.14313	1.0
229.12393	0.8
230.09494	2.2
231.13864	3.6
241.12325	3.7
247.09741	1.2
248.10590	1.1
253.04967	1.3
259.13361	7.7
268.03787	2.4
275.12881	1.2
277.14401	2.9
279.12643	1.0
283.06116	3.6
301.07059	1.1
303.12387	3.1
321.13446	6.1
360.06436	1.1
365.12320	5.0
375.08823	2.6
383.13498	100.0
384.13834	3.8
395.13541	1.9
411.12976	8.3
423.12961	21.2
439.12473	42.5
503.66803	1.2
680.05237	1.2
732.52051	1.0
756.40228	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98694	6.8
66.99837	2.5
98.90799	2.5
99.14851	2.9
109.02815	3.9
123.04428	2.7
124.01541	3.3
125.02364	5.6
126.70618	3.2
136.01537	39.6
137.02342	7.3
140.96289	2.8
146.03664	19.4
147.04417	9.8
150.03159	6.0
151.03897	40.7
152.01031	6.3
161.02420	3.8
161.06070	5.7
162.03087	16.3
163.17123	3.0
167.03433	6.2
175.03865	3.2
176.01025	3.0
177.01945	5.1
177.05498	7.3
178.02676	6.2
179.03423	10.2
180.04195	30.2
181.05009	3.4
192.04300	3.1
193.04997	11.3
194.05821	6.0
195.06573	47.8
209.08203	7.4
219.06628	3.3
239.63719	4.2
241.05153	4.9
242.05800	4.4
254.05994	3.0
255.06648	3.7
257.08185	7.4
261.96313	3.3
269.04614	7.3
270.05310	3.7
271.06195	9.2
281.08197	4.5
282.08881	4.2
284.06882	18.5
285.07690	5.1
299.09259	4.3
313.07297	4.4
314.08008	4.1
315.08896	6.1
316.05893	14.7
342.07425	9.8
343.08206	14.2
355.08099	4.0
357.09857	41.4
362.10043	9.2
387.10861	35.9
388.11273	5.2
389.12320	6.6
405.12823	4.9
519.16669	3.7
549.17737	27.4
575.19434	7.2
579.18518	8.1
609.19891	100.0
610.20453	10.6
771.26666	13.0
831.28772	92.2
833.27612	3.0
863.31342	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	865.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74541	1.0
70.18559	0.9
72.99160	7.0
81.03315	2.3
83.01231	3.8
87.04369	1.6
93.03359	1.4
95.04875	1.6
96.95872	1.7
97.02824	2.5
101.67632	1.0
107.20961	1.1
108.02042	4.0
109.02808	9.9
111.04355	6.9
121.02858	1.8
123.00739	4.0
123.04382	2.7
124.01520	2.2
125.02310	54.2
137.02324	25.6
138.03178	1.5
139.03903	16.3
147.04344	1.7
149.02325	4.6
149.06001	1.9
151.03983	2.5
159.04402	2.5
161.02368	3.5
163.11169	2.0
164.01007	4.7
165.01820	15.1
166.02550	2.8
167.03415	20.2
168.26526	1.2
175.03932	3.0
176.01088	1.9
177.01814	10.4
177.05467	4.2
178.02579	1.3
179.03386	17.0
191.03407	2.2
191.07063	2.3
193.05011	1.5
201.05534	2.0
203.03413	2.6
204.04234	1.8
219.06580	16.0
221.04588	7.9
225.11465	1.3
231.06593	9.8
233.08194	2.0
238.60312	1.2
239.80345	1.3
243.06609	1.7
261.07736	5.0
273.07690	7.0
301.06912	1.7
305.06693	100.0
306.07068	1.6
315.08627	1.3
317.06680	10.7
413.14645	1.8
441.11890	69.6
442.12457	2.7
580.15826	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03307	4.3
71.01247	5.1
71.04900	2.9
72.99165	48.8
73.02792	5.7
75.00731	5.8
79.74670	2.2
93.25842	2.0
99.08019	3.5
99.78136	2.4
107.04922	2.5
113.02291	3.7
121.02812	5.8
121.06443	3.9
122.03611	2.5
123.04369	5.5
125.02309	33.1
128.49800	2.4
135.04384	17.7
137.05923	4.6
147.04398	9.0
149.05977	24.6
151.03873	9.8
153.01863	3.3
153.09111	5.8
163.03883	5.7
165.05479	5.4
167.07068	3.6
169.08617	4.8
176.04774	2.6
177.05496	27.3
179.03419	12.8
179.10687	4.8
181.08710	2.8
186.06819	4.7
187.04044	4.5
202.06378	5.9
209.11826	5.3
214.06383	4.6
217.12389	9.5
217.15889	3.2
230.05797	5.8
231.13858	4.1
243.13911	8.6
259.13373	14.3
261.14868	4.2
269.11880	3.8
271.13440	8.8
273.15143	6.2
277.14471	6.4
287.12918	30.4
289.14432	6.8
291.16125	11.1
305.13937	14.0
307.15558	3.9
309.17081	5.8
317.13556	3.0
321.13599	4.3
333.13486	9.3
335.15045	32.2
349.12958	54.3
349.17285	4.0
351.14517	44.7
353.16061	100.0
377.12469	8.5
395.13501	51.8
397.15082	5.0
425.14572	39.4
439.12454	74.8
447.02335	2.7
546.16022	3.0
553.68719	3.0
567.48376	2.8
741.61060	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
61.14373	14.1
61.98706	100.0
61.98943	14.3
62.23287	14.8
67.72591	15.9
76.04357	15.8
77.84036	18.0
92.52393	19.2
175.88867	21.6
180.04218	51.3
188.11342	21.8
195.06602	85.2
375.41299	24.4
640.22327	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	865.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
62.55550	14.9
65.20285	12.5
84.75047	12.9
85.06789	17.9
92.38491	13.9
94.11488	15.1
96.95873	33.1
122.03545	16.4
157.24428	14.9
180.04283	41.1
195.06567	100.0
209.18756	16.3
224.86514	14.4
233.86072	14.8
251.53210	16.4
271.98541	16.9
417.29263	20.0
731.39288	18.4
793.05835	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	865.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95567	1.2
80.65573	0.8
80.96378	9.1
92.83974	0.8
93.86187	0.8
94.97964	2.1
96.87269	0.9
112.71982	0.8
119.04906	2.2
121.02838	1.4
122.89315	3.2
148.99016	1.1
152.98528	1.4
164.98546	2.9
171.15889	0.9
171.70984	0.9
195.93832	1.3
214.95656	2.0
217.46909	0.9
221.52895	0.9
225.00708	3.7
239.57471	0.9
239.90341	1.1
278.98859	1.5
281.03925	1.1
290.98816	1.1
293.21210	1.9
305.00500	2.0
319.02103	0.9
335.08817	1.1
349.10132	2.2
393.15564	1.4
395.17007	3.4
397.18466	5.6
415.19406	4.0
426.97040	1.0
431.15472	1.2
433.16043	42.4
434.16449	1.9
441.17340	19.0
452.54422	1.0
477.15021	100.0
478.15356	3.3
684.77814	1.1
829.42834	5.1
865.50104	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	865.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83213	1.4
64.88346	1.4
80.96395	2.9
89.81768	1.3
93.03372	1.8
93.28659	1.4
96.42113	1.4
98.44750	1.6
105.17554	1.4
119.04912	2.1
122.89327	4.5
141.48727	1.8
175.11288	2.2
182.65190	2.0
214.95712	2.0
229.15962	13.4
252.93626	3.1
257.19110	3.3
265.01071	2.1
267.02713	2.0
275.20288	3.2
285.09460	3.6
293.21335	7.7
319.05893	4.6
320.06470	2.3
321.07181	20.6
323.23782	1.8
329.08524	21.7
355.10129	2.4
379.17484	2.1
387.25641	3.0
393.15179	2.9
395.16776	13.3
397.18469	11.9
411.16684	2.0
415.19632	13.9
427.15768	3.0
433.16095	2.3
439.18262	2.5
441.17380	100.0
442.17816	2.7
473.16266	4.1
476.14429	2.0
477.15042	99.1
478.15775	2.8
865.50269	2.8
885.35834	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	865.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
65.21360	1.8
65.37929	1.7
71.01228	3.8
72.03892	1.8
75.19608	1.7
85.02815	2.1
89.02280	5.2
89.69999	1.9
101.02301	4.1
111.08018	5.1
113.02253	3.4
118.70511	1.7
126.68140	1.7
169.12238	2.9
193.51741	1.8
197.11775	30.9
204.86412	2.4
211.13391	4.9
225.00633	2.2
230.31284	2.2
231.37253	2.6
235.08214	9.1
253.09309	13.6
263.20090	3.2
277.21741	100.0
278.22003	2.6
291.19733	19.9
309.20709	46.1
386.90271	2.0
488.68118	2.5
508.92307	2.1
589.22192	2.4
865.49536	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	867.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95764	0.2
79.95580	2.2
86.45563	0.1
94.97935	0.1
96.93394	1.6
96.95866	100.0
96.98657	0.9
99.77335	0.1
100.36165	0.1
104.57381	0.2
123.78896	0.1
138.38812	0.1
145.02867	0.2
153.54124	0.1
183.72031	0.1
227.03418	0.2
239.28232	0.1
242.02213	0.2
243.02980	0.6
254.75235	0.1
255.02969	0.3
260.08414	0.1
271.02411	0.8
285.03906	0.2
293.07355	0.1
299.01941	1.2
300.03033	0.3
313.03647	0.1
314.04327	1.4
315.04987	0.6
338.70963	0.1
428.51389	0.1
580.56567	0.2
623.15961	0.3
671.18384	0.1
769.19977	1.8
770.18939	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
76.22800	0.1
79.95594	1.6
83.20839	0.1
96.93158	1.1
96.95869	100.0
96.98226	1.2
111.78122	0.1
129.25554	0.1
151.00267	0.2
199.03969	0.2
227.03445	0.2
243.03049	0.7
255.03026	0.3
271.02496	0.6
285.04254	0.2
299.01974	1.7
314.04355	2.4
315.05145	0.3
433.20877	0.2
457.78857	0.1
508.29160	0.1
562.52777	0.1
665.20374	0.1
756.63959	0.2
769.22162	2.2
777.80566	0.1
842.57697	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	867.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
62.95246	0.7
63.22925	1.0
63.57526	0.9
65.48138	0.7
69.03308	1.1
72.99165	91.0
73.00874	1.4
73.02835	2.2
73.44902	0.8
75.00739	1.4
76.04794	0.7
83.04866	0.8
85.02811	1.2
87.00714	0.9
94.33881	0.8
95.01270	0.8
96.95870	18.9
97.02806	4.8
98.95470	2.1
107.04920	2.8
108.02033	17.2
111.04370	2.5
111.46653	1.0
113.02312	5.2
122.97504	2.4
123.04388	12.8
125.02309	7.8
135.04436	4.0
137.05963	1.3
149.06035	1.3
149.09660	1.0
151.03946	1.4
151.07527	9.9
152.01033	51.7
153.01550	0.9
153.05475	2.1
161.06036	4.0
163.03946	1.4
167.03400	79.5
167.10719	1.4
168.03831	1.9
169.05037	1.3
176.04784	0.9
177.05508	2.1
179.03429	5.1
179.07043	21.4
191.10825	1.4
197.04601	1.3
205.05035	1.3
211.09738	3.9
212.10075	1.9
216.08046	0.9
219.10291	1.5
219.13895	1.4
223.06166	1.8
229.16019	1.1
235.13440	2.6
245.15561	1.6
247.13408	3.1
259.02814	6.0
273.14990	5.0
275.13116	1.1
291.15994	21.7
291.18900	1.4
307.15576	3.0
309.17072	1.7
317.13986	4.4
335.15018	31.6
351.14618	1.5
353.16061	35.5
354.16614	1.9
365.12717	1.4
383.13409	8.5
391.14105	1.1
409.15222	2.0
412.10748	1.1
425.05429	1.5
426.05927	1.5
427.07117	46.8
427.16232	100.0
428.07306	2.6
428.16699	2.9
434.62332	1.1
439.12927	3.2
561.99432	1.1
562.08038	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00176	0.9
67.23544	1.0
77.99728	0.7
82.26601	0.6
83.01212	0.8
91.72687	1.3
96.95862	1.1
101.20898	0.9
107.01223	1.9
108.24139	1.2
108.24731	1.0
117.03313	2.3
119.04832	1.0
120.87556	0.8
126.90271	1.6
128.90009	1.3
145.02835	8.2
151.00258	3.7
163.03906	1.2
178.99759	1.5
187.03885	1.0
200.13576	0.8
211.03964	1.3
227.03462	29.9
229.05029	2.5
239.03226	1.0
255.02979	68.3
256.03586	6.4
257.04544	2.8
283.02487	3.8
284.03262	100.0
285.03986	26.5
413.08832	2.0
431.94583	0.9
479.51108	0.9
575.14453	1.0
593.15131	24.1
594.15411	1.6
739.18896	73.7
740.18964	6.9
756.46393	0.9
854.08118	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
67.29391	0.3
69.03316	0.5
71.04873	0.6
72.99166	100.0
73.00801	1.6
73.02801	0.7
75.00733	0.8
81.03333	1.0
85.02807	0.4
95.07040	0.4
97.02834	0.8
99.04346	0.5
101.05927	0.5
108.02020	0.4
112.71286	0.3
113.02302	0.6
121.02752	0.5
123.04358	0.4
125.02324	2.1
137.02309	0.6
151.03896	0.6
151.11176	0.5
152.01021	0.7
153.01802	1.0
165.01846	0.9
165.05487	0.5
167.03429	1.3
173.06003	0.4
177.09149	0.6
177.12708	0.4
181.01286	0.5
193.12299	0.8
195.10268	0.4
197.00920	0.5
200.04680	0.6
202.06343	0.4
203.03677	0.7
204.04237	0.5
214.25540	1.2
217.05005	0.4
228.04114	0.5
245.15353	0.8
246.05565	0.5
249.14922	0.5
259.13452	0.9
261.14920	0.4
273.15079	0.5
277.14560	0.7
285.11377	1.1
287.12799	0.4
303.12375	11.6
307.15619	0.6
319.12079	0.6
323.35025	0.4
325.16714	0.6
335.15161	0.7
347.11459	2.4
351.14664	1.5
363.14603	1.2
365.12445	4.1
369.15619	0.7
375.10962	0.6
377.12689	0.5
381.15604	2.0
393.12054	3.5
396.96964	0.4
397.15057	0.9
407.13477	1.1
421.11435	37.5
422.11716	1.1
425.14578	12.5
488.14227	0.6
612.78650	0.4
655.82166	0.5
656.78522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38247	0.9
66.19757	1.0
70.56679	0.9
71.01248	1.1
72.99159	11.7
82.26469	1.2
83.04884	2.4
85.02790	1.6
94.64039	1.1
95.37613	1.2
99.04366	1.9
102.39095	1.1
105.54348	1.2
113.02315	2.0
115.03905	1.6
125.02315	2.2
127.03902	5.7
145.54828	1.1
149.05981	2.2
149.09605	7.0
158.07228	2.9
160.01620	1.4
161.06067	1.3
171.04420	3.5
172.05219	1.7
175.03946	2.2
177.09212	1.7
179.07146	1.5
179.10648	2.8
185.06053	2.6
186.06767	7.9
187.14856	2.3
204.11458	1.3
205.15862	2.5
214.09886	2.5
215.14371	13.6
217.15855	1.8
225.11118	1.8
231.10281	1.9
231.13918	2.0
233.15398	7.9
241.12283	2.0
243.13885	22.4
259.13541	2.9
261.14969	8.8
277.14468	2.8
279.16043	2.7
287.12891	36.3
305.14017	5.9
331.12070	2.1
331.45624	1.3
349.12918	22.3
351.14420	1.5
353.15094	1.6
367.13968	100.0
368.14355	2.6
371.11194	2.5
372.27487	1.4
395.13525	5.2
399.10672	2.4
401.06290	1.6
401.21603	2.6
417.11972	2.3
423.12994	34.4
423.18625	2.1
445.05301	3.3
445.11111	2.0
714.45593	1.5
813.25854	2.1
869.24609	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	869.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
63.52330	0.9
63.92065	1.1
73.88969	1.0
77.82657	0.9
79.95581	2.2
111.06478	1.2
111.08064	1.1
119.04861	1.3
122.89292	3.7
124.23026	0.9
129.57693	1.0
160.37697	1.2
189.63318	1.2
210.96162	1.8
231.17531	2.2
245.19118	3.7
278.98862	4.0
321.21957	1.3
323.08749	1.9
325.25497	2.1
335.05185	1.9
337.10388	2.7
349.10263	2.3
389.27222	1.4
393.15326	2.1
395.16953	9.1
397.18353	18.5
399.19995	13.9
417.21002	24.0
418.21564	1.3
429.17404	2.1
431.18866	2.1
433.15961	2.9
435.17661	14.3
441.19467	3.3
443.18912	100.0
444.19223	3.5
457.41980	1.2
475.18036	3.8
479.16574	72.3
480.17123	2.1
723.00372	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
60.62057	2.1
61.98693	4.6
68.12627	2.3
80.96380	4.2
81.78989	2.4
106.60357	2.5
121.02780	3.0
122.89283	7.7
133.56538	2.9
134.03571	3.6
145.02832	4.4
156.95068	4.3
191.15436	2.7
211.91269	3.0
211.93321	7.1
241.01186	2.9
305.95197	3.4
433.15872	6.6
435.17477	18.7
449.46497	3.8
453.18906	39.5
468.27438	3.5
479.16638	100.0
480.17017	3.5
833.46375	4.9
869.45996	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	871.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02951	0.4
69.03310	6.0
69.03680	0.4
71.01237	0.9
71.04872	1.3
72.99166	18.0
73.02799	2.0
73.41720	0.2
74.46932	0.2
75.89803	0.3
81.03304	0.3
84.15737	0.3
85.02809	2.5
87.04356	0.2
91.73310	0.3
97.02806	9.9
98.40995	0.3
99.04361	1.3
100.50005	0.4
108.01995	0.3
109.02818	1.1
112.99142	0.8
113.02305	58.1
113.05801	0.6
114.02641	0.4
121.02795	0.6
121.06477	0.3
124.98612	0.7
125.02311	56.3
126.02634	1.0
139.00290	0.4
141.01814	5.7
143.03349	1.5
147.04385	0.6
149.05962	0.9
149.09621	0.4
151.11200	0.7
155.03258	0.3
159.04373	0.3
163.11197	0.4
165.01718	0.3
165.05466	0.8
170.80908	0.3
172.05164	0.3
174.03159	1.7
175.03931	1.7
177.09082	0.5
177.12746	0.8
179.10686	3.4
181.12234	1.1
185.06018	0.3
186.06744	0.3
191.10670	0.3
193.12279	0.7
203.10677	0.8
204.11497	1.1
205.12268	0.6
207.10243	0.6
209.04547	0.9
209.11807	0.4
215.14334	1.4
221.11702	0.4
225.11296	0.4
230.05789	0.5
231.10283	1.9
231.13919	0.6
232.10995	3.3
233.11705	0.5
233.15440	1.2
235.13329	0.3
243.13922	2.2
247.13354	0.7
249.11278	0.9
254.05876	0.6
259.13461	0.8
261.15030	4.6
263.12909	0.8
269.11856	0.4
275.12866	0.7
277.14447	1.3
281.10495	0.4
287.12930	3.0
293.13919	0.4
305.13974	2.6
305.18674	0.3
307.11856	1.4
321.13235	0.3
323.14929	0.5
331.11880	0.4
347.67578	0.3
349.12918	4.8
351.14673	0.3
367.13989	100.0
368.14288	3.4
395.13495	11.2
396.13821	0.3
403.11938	1.1
405.11829	0.4
423.12988	40.0
424.13315	1.4
448.61307	0.3
459.81403	0.3
570.31427	0.6
674.08209	0.3
720.85236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
66.19180	1.5
69.03315	4.7
72.99174	16.4
73.02777	1.8
91.73274	2.6
97.02806	8.3
109.02822	10.8
113.02303	48.5
121.02879	2.1
125.02312	53.0
135.04454	2.1
141.01796	6.0
147.04459	2.0
148.05174	2.0
167.45793	1.8
172.19107	1.7
177.01741	1.9
179.10738	2.5
181.75966	1.9
232.11035	2.6
249.59187	1.8
253.05064	9.5
254.05830	24.4
255.06531	5.6
261.14938	3.3
263.12964	1.8
281.08316	4.2
293.08231	3.7
349.12939	5.2
351.14679	2.1
352.14780	1.9
356.50140	2.0
364.43127	2.1
367.13995	100.0
368.14273	4.8
369.14493	2.9
395.13477	13.9
403.11871	35.2
404.12274	3.2
412.20975	2.2
423.12982	37.1
424.13715	3.2
447.10971	7.7
756.60474	2.9
842.10522	2.2
871.22626	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02801	4.3
76.41717	0.2
82.67353	0.4
85.00302	0.4
85.02816	0.6
85.63725	0.2
90.21563	0.3
91.72662	0.5
92.32690	0.4
92.33225	0.3
95.04911	0.3
107.04945	0.2
121.06445	2.3
139.07524	14.3
182.05788	0.2
193.12230	0.3
215.14326	0.3
219.13896	0.8
235.14853	0.6
239.17957	0.3
241.15990	0.5
249.16602	0.3
251.18042	3.5
253.15944	0.3
255.17552	1.0
257.15689	0.4
257.19168	1.1
259.20743	0.3
267.17535	1.3
269.16498	0.3
269.19086	2.0
273.18555	1.6
283.17178	0.5
285.18695	1.9
286.15829	0.5
287.20200	2.3
295.17068	0.8
301.18042	2.3
303.19656	1.2
313.18042	1.0
321.05322	0.3
331.19156	15.3
349.20218	100.0
350.20605	2.3
373.20203	2.7
376.98596	0.3
391.21295	27.3
392.21716	0.7
435.21475	0.2
466.48038	0.3
521.97760	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98685	4.0
68.31714	2.3
71.01237	20.7
72.99174	9.6
75.00724	21.4
78.95770	3.9
81.03329	2.6
81.06506	2.4
83.01235	4.5
85.02821	10.8
87.00729	20.0
89.02296	6.2
90.56626	3.0
96.95895	3.9
101.02325	5.2
109.02815	3.3
113.02318	4.5
115.00231	55.2
115.01035	3.8
123.04430	4.0
127.03886	5.4
128.43806	2.7
135.02815	2.5
137.02364	3.2
137.10460	2.6
141.15689	2.4
171.10168	41.6
175.02383	100.0
176.02780	3.4
193.12431	3.2
195.13896	4.1
197.11775	26.2
209.11740	4.1
211.13383	6.4
220.51033	2.5
221.11832	3.8
223.13344	4.7
223.79390	2.4
235.13406	2.7
239.12874	8.7
241.14490	3.7
249.18541	43.5
251.12943	3.1
253.09320	6.9
267.12524	6.0
285.13464	16.5
429.07867	2.6
503.21326	8.1
521.22217	8.8
701.05701	3.3
749.38757	4.1
753.40692	55.9
783.42908	3.8
793.39801	9.5
811.41113	4.5
871.42999	6.0
882.22974	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	871.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
62.32055	1.6
67.57813	1.4
69.03333	1.9
71.01239	16.5
72.99156	11.7
73.02798	4.7
75.00732	42.1
83.01237	2.6
83.04860	2.0
84.02042	2.1
85.02816	8.7
87.00734	12.7
89.02293	5.9
91.72743	1.9
94.18770	2.0
95.04874	2.0
96.95898	2.1
97.02847	3.6
99.00745	2.5
101.02282	5.9
109.02816	5.8
113.02305	4.6
115.00245	29.1
117.99960	1.8
123.04417	2.2
125.02283	3.2
126.01666	2.1
127.03870	3.2
135.02838	4.2
169.04916	2.8
169.12224	10.7
171.10179	29.6
175.02383	46.5
176.02699	2.7
177.51936	1.8
193.12273	4.7
195.13846	8.5
197.11755	86.7
207.10265	2.7
209.11841	2.8
211.13383	6.1
221.11798	5.6
223.13353	4.9
225.11316	3.9
235.13298	4.4
239.12886	14.0
241.14343	10.0
249.18597	57.0
253.09328	8.3
253.14528	4.0
263.12897	3.0
267.12271	4.2
285.13455	16.1
290.98611	2.2
374.26584	2.0
503.21313	5.8
521.22491	10.2
613.46643	2.3
709.38214	4.1
731.40198	2.9
749.37830	9.0
751.38885	12.5
753.40741	100.0
754.41467	5.8
783.41840	7.6
793.39941	17.7
811.41040	9.3
825.99261	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	871.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98654	1.4
69.03308	1.3
70.54799	1.4
71.01237	15.6
72.99170	8.9
72.99525	1.5
73.02795	3.3
75.00729	33.9
83.01239	2.1
83.04871	2.0
85.02828	7.0
87.00723	13.4
89.02311	5.0
94.69515	1.4
95.04892	2.3
97.02805	3.6
97.06448	2.0
99.00724	2.3
99.04424	1.6
101.02326	8.0
105.55466	1.4
109.02819	3.5
113.02335	3.4
115.00231	34.5
117.03279	1.7
123.04398	3.1
125.02316	1.7
125.05969	3.7
127.03862	2.8
135.02853	4.0
137.96228	1.3
143.03375	1.7
143.07016	11.4
145.02794	2.8
149.09581	2.2
151.03874	1.5
151.07527	2.7
153.08957	1.9
155.03287	1.5
157.13437	1.5
161.04433	1.6
165.09096	2.9
167.10658	2.2
169.04977	1.7
169.08578	13.7
175.02386	47.3
177.09261	1.9
183.10089	1.9
193.08684	3.2
195.10048	2.0
209.11775	1.8
211.09721	7.8
213.11320	4.7
235.08063	1.8
235.10114	1.8
239.09245	3.1
239.30338	1.4
253.09189	7.6
257.10367	10.9
277.21729	100.0
278.21881	2.3
417.26376	2.2
475.18335	5.7
659.12860	1.6
675.89655	1.9
709.39130	2.5
730.09998	1.7
749.37732	3.8
751.38794	12.1
753.40741	68.7
754.41351	3.0
775.39087	3.3
783.42041	4.3
793.39935	11.1
811.41089	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02805	2.0
73.22614	0.5
81.03300	0.9
83.04874	2.4
87.31757	0.5
93.02754	1.1
93.03315	16.2
96.00859	0.5
99.00749	0.7
99.28152	0.5
108.23496	0.5
111.04382	7.4
125.02321	2.0
132.02090	0.6
133.01833	1.2
133.02826	18.4
134.03609	3.1
135.04398	33.9
137.02321	8.9
137.66325	0.5
143.46764	0.6
155.03412	5.1
160.96820	1.2
161.02338	96.1
162.02705	1.2
173.04436	2.1
177.01862	1.6
178.02589	1.1
179.03416	39.1
180.03748	0.6
185.87950	0.6
246.31502	0.6
291.08749	1.5
335.07755	100.0
336.07990	2.4
625.51270	0.7
755.27942	0.7
775.46216	0.9
790.47137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
61.33642	0.6
69.03313	8.6
71.01240	18.2
71.04877	7.2
71.05231	0.8
72.97591	0.6
72.99167	28.8
73.02806	6.4
75.00753	0.6
75.47373	0.6
81.03329	2.0
83.01260	1.8
83.04890	1.4
85.02802	7.7
87.00752	1.2
89.02298	18.8
91.72729	1.7
95.01268	1.3
95.04897	1.3
96.95882	0.7
97.02808	17.2
97.06422	4.6
99.00747	1.6
99.04375	3.4
99.08043	0.9
101.02300	14.3
101.02941	0.7
101.75258	1.5
101.75820	0.8
109.02772	0.8
113.02307	42.6
113.05861	0.9
115.03876	38.8
119.03374	8.1
121.02830	1.4
123.08029	1.1
124.98769	1.3
125.02313	80.6
129.01877	1.7
131.03419	1.5
133.10101	3.5
134.03586	0.8
135.04443	1.4
137.02339	0.7
137.05960	1.3
137.09711	0.9
139.03946	0.9
141.01823	11.4
143.03397	4.4
147.04408	1.4
149.04463	0.9
149.06007	0.7
149.09621	3.0
151.11188	3.0
153.09122	1.7
155.10674	1.5
161.04457	3.2
163.11174	1.0
165.05467	1.2
165.09056	0.9
167.10750	2.2
173.05965	1.0
174.06772	1.5
177.05472	0.9
177.09125	7.6
179.05493	5.1
179.10736	1.0
183.10222	1.2
184.05247	1.5
187.04021	1.4
188.04692	1.8
191.03450	1.7
191.10715	4.3
191.14360	0.9
193.08710	0.9
195.10175	4.3
201.05560	0.8
201.13028	0.7
202.06281	3.5
207.10271	0.9
207.13870	1.6
209.04533	0.7
209.11795	1.0
209.15402	8.0
213.12848	2.0
215.14438	2.0
217.08676	0.7
219.10265	1.2
220.07381	1.3
230.09566	1.6
231.13844	4.5
235.13351	4.2
241.12387	3.4
246.05437	0.7
247.09680	1.8
247.13596	1.1
248.10550	1.2
249.14969	1.1
251.12834	0.9
253.14426	15.0
255.03114	1.0
257.11902	0.9
259.13379	12.1
271.02386	1.1
271.12622	1.2
271.15536	19.8
275.13016	1.9
277.14462	4.5
281.13791	1.1
284.03284	1.7
291.12469	0.8
292.09555	0.9
300.02881	2.0
301.03586	2.2
303.12253	4.1
313.16678	1.0
321.13437	6.3
347.17209	1.2
365.12436	5.3
383.13507	91.9
384.13968	3.1
385.13815	1.2
389.18106	6.9
395.13611	1.1
411.13004	9.2
433.07944	3.1
433.20807	100.0
434.20892	1.7
439.12500	45.5
583.72876	1.2
653.59534	1.0
689.05225	0.8
766.87476	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03307	7.7
71.00874	1.4
71.01237	18.0
71.04881	6.9
72.99163	27.2
73.02807	4.6
73.41592	0.9
75.00756	1.1
81.03315	3.5
83.01244	1.5
83.04890	1.3
85.02808	5.6
87.00719	2.3
89.02303	18.4
97.02809	19.2
97.06456	4.2
99.04390	1.6
101.02303	16.1
103.90807	0.9
113.02303	42.8
115.03061	2.1
115.03873	41.4
119.03374	9.2
119.08517	1.0
121.02926	1.1
121.10178	1.0
123.08083	1.3
125.02313	90.7
125.06002	1.2
133.10083	2.1
134.03694	1.0
135.04346	1.7
136.69519	0.9
137.05931	1.8
137.09610	3.0
139.03908	1.3
141.01823	11.7
143.03375	4.8
147.04391	1.2
149.06017	1.2
149.09625	2.1
151.11220	1.9
153.09152	2.0
156.05573	1.2
161.04465	3.9
163.03908	1.6
164.04588	1.1
168.82144	1.0
173.05969	1.7
174.06683	1.3
177.05585	1.0
177.09149	6.4
179.05577	5.2
179.10632	1.1
181.08600	3.5
187.74933	0.9
191.03416	1.3
191.10751	4.1
191.14368	2.7
195.10245	3.8
200.04597	1.1
202.06299	3.0
203.10606	1.0
203.14308	1.5
209.15424	7.6
213.12817	2.0
219.10112	1.4
230.09419	2.9
231.13870	4.6
235.13422	1.8
241.12360	4.9
247.09802	3.0
248.10495	1.7
249.14964	1.8
253.14447	17.6
255.03116	1.8
259.13391	10.5
271.02390	1.3
271.15527	19.6
277.14450	4.2
281.14053	1.8
286.92630	1.3
291.12460	1.4
300.02698	2.4
303.12341	4.5
321.13443	6.9
365.12500	8.3
383.13501	100.0
384.13873	2.4
389.18243	2.0
411.13135	8.7
433.20807	95.5
434.21179	3.7
439.12469	44.3
465.38199	1.1
583.73096	1.6
609.14624	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	873.514
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96281	0.2
64.29086	0.1
74.61552	0.1
76.10670	0.1
77.85998	0.1
78.95761	44.6
78.97580	0.7
86.52667	0.1
89.30726	0.1
96.95885	0.2
96.96822	5.6
105.84937	0.2
119.04946	0.2
126.76594	0.1
136.61208	0.1
145.02873	0.4
150.97914	1.5
152.99475	100.0
153.04346	1.2
153.99815	0.3
171.00548	3.5
195.37305	0.2
279.23325	1.5
287.94312	0.1
415.24893	0.2
433.23624	38.0
434.23926	0.7
457.23584	1.0
470.05606	0.2
496.79758	0.2
608.35229	0.2
713.42267	0.1
790.68170	0.2
873.42981	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
67.17825	0.6
69.76209	0.7
71.00876	1.0
71.01240	15.5
72.99142	0.8
73.02806	10.1
75.09652	0.6
78.23823	1.3
83.01242	8.9
85.02810	11.8
87.00743	1.0
89.02269	1.8
94.32153	0.7
95.01232	1.0
99.00729	2.8
101.02303	42.5
113.02306	7.5
125.02271	1.1
128.04895	0.6
130.06499	26.6
130.27477	0.6
142.06488	3.2
143.03365	0.8
144.08051	0.9
146.03647	1.3
159.02919	1.1
161.04465	2.2
164.04736	1.2
172.07600	5.1
179.07059	2.3
195.06476	0.9
200.07140	8.6
283.35410	0.6
286.16840	0.9
292.11923	55.4
293.12320	0.9
302.86047	0.8
324.00665	0.7
336.10913	100.0
337.11209	1.3
357.57437	0.8
375.14505	3.9
455.83154	0.8
456.53256	0.8
494.97574	0.9
561.34143	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
67.26531	0.4
72.76838	0.6
78.27530	0.5
78.27908	0.4
78.95752	1.3
94.28992	0.4
96.95856	0.8
106.04164	0.6
112.98672	0.6
119.04900	1.2
121.02818	1.3
129.88933	0.4
139.96825	0.5
145.02809	0.7
152.99431	1.5
166.87256	0.4
171.10092	0.6
191.14319	4.7
203.14380	1.0
219.13853	34.6
220.14192	0.6
221.15495	2.3
229.12401	0.5
231.13931	0.6
233.15533	0.8
235.13281	1.1
247.13431	4.8
247.17159	0.6
249.14943	31.6
259.16809	0.4
277.21643	0.8
281.87616	0.4
325.25378	4.8
343.26434	1.2
350.39484	0.6
359.25998	0.5
361.27539	1.8
403.25021	1.0
404.25201	1.1
405.26471	100.0
406.26816	2.8
415.59723	0.5
423.09903	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97485	1.2
61.98694	100.0
62.00061	1.5
63.41481	0.6
94.25961	0.7
115.94420	0.6
117.03333	8.7
118.26856	1.3
119.04891	13.1
121.02855	0.9
126.41302	0.6
128.20758	0.6
145.02835	35.4
146.72823	0.6
163.03896	9.4
281.07916	0.6
517.06964	0.7
649.45160	3.3
667.46033	12.8
813.49567	44.7
814.50641	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	876.491
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78653	0.7
61.97436	1.8
61.98695	100.0
62.00090	1.4
69.30336	0.7
81.70718	0.7
117.03328	6.1
118.26900	1.2
119.04893	10.2
120.93176	0.8
121.02818	1.3
122.18915	0.9
128.72224	0.8
140.64906	0.8
145.02838	26.4
163.03906	7.7
178.65512	0.9
194.88506	1.0
286.01022	0.8
361.10217	0.8
468.81708	1.1
507.66400	1.0
593.84222	1.0
649.44824	1.6
667.45917	10.9
813.49567	36.8
814.50879	1.0
829.27655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
62.74595	1.2
73.83060	1.1
90.97001	2.3
120.05760	1.4
159.78667	1.3
165.13506	1.4
178.59029	1.3
200.57365	1.2
240.03630	1.4
250.18935	2.1
267.17761	1.5
269.19208	9.8
271.20627	2.8
274.97144	1.4
279.04376	1.8
296.20248	1.3
297.09045	1.5
297.18674	5.9
315.19589	2.8
321.11832	2.6
323.13699	6.4
325.11658	1.9
325.15634	8.5
337.11255	2.8
339.12790	5.2
341.14365	8.1
343.15982	11.9
345.17569	1.6
351.13684	23.9
353.11285	1.4
353.15344	4.3
357.13834	2.4
359.15411	2.3
367.12814	4.0
369.14008	12.1
371.16217	96.4
372.16537	6.1
375.21762	6.2
376.21936	2.1
383.11526	1.8
387.14978	16.0
389.16809	38.6
411.14944	1.9
413.17435	30.8
415.15158	31.5
416.16162	1.5
429.16110	2.2
431.18451	10.3
433.15616	8.2
595.35522	3.7
641.35260	7.6
659.36249	8.9
669.35010	3.0
687.36121	7.6
705.36945	84.1
706.37396	6.5
729.37146	1.8
747.38013	100.0
748.38019	12.4
789.39020	4.5
791.36841	4.2
833.38080	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	879.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	100.0
91.73450	13.0
91.96366	6.8
96.95885	13.3
103.01159	7.5
112.74100	8.8
114.92263	7.2
124.05164	7.8
131.81737	8.1
139.77832	6.7
151.03990	8.4
177.01929	10.7
179.03386	9.9
192.04286	26.1
193.05109	8.1
195.06528	20.2
305.34314	7.9
360.13675	20.7
375.16132	16.2
393.17044	37.9
405.17099	41.4
423.17932	15.3
516.02148	8.1
541.10474	8.4
582.26654	8.9
754.18939	11.1
807.34113	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	879.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	100.0
91.73450	13.0
91.96366	6.8
96.95885	13.3
103.01159	7.5
112.74100	8.8
114.92263	7.2
124.05164	7.8
131.81737	8.1
139.77832	6.7
151.03990	8.4
177.01929	10.7
179.03386	9.9
192.04286	26.1
193.05109	8.1
195.06528	20.2
305.34314	7.9
360.13675	20.7
375.16132	16.2
393.17044	37.9
405.17099	41.4
423.17932	15.3
516.02148	8.1
541.10474	8.4
582.26654	8.9
754.18939	11.1
807.34113	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	879.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
64.66246	0.9
67.57911	1.0
69.03313	2.3
71.01237	39.8
71.02752	1.2
71.04880	14.3
72.99174	1.5
73.02807	54.9
77.71391	1.1
81.03336	8.0
83.01240	14.2
83.04889	2.1
85.02808	9.9
87.00739	2.9
89.02303	20.8
95.01233	2.9
97.02781	6.9
99.00764	3.5
99.04376	5.5
101.02306	52.4
113.02306	24.0
114.47230	1.3
115.03876	68.3
119.00581	1.5
119.03393	12.0
122.11470	1.3
125.02290	3.7
126.03096	2.5
131.03345	3.4
137.09618	3.5
139.11154	3.6
143.03337	6.7
143.38803	1.4
149.04460	4.8
161.04457	13.8
163.11194	1.5
164.60185	1.1
175.14792	3.1
179.05498	6.4
191.14287	2.4
193.15910	32.5
203.05568	3.6
221.06670	3.5
237.14944	37.9
255.16017	21.5
279.16153	2.4
297.17059	3.8
399.20264	81.2
417.21384	23.4
459.22379	100.0
460.22336	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	881.309
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01239	4.0
71.04884	1.0
81.03320	1.1
82.77544	1.0
82.91732	0.6
83.01266	0.9
87.95121	0.8
87.95594	0.7
89.02296	6.3
90.51445	0.5
97.02867	0.6
99.04389	1.2
101.02297	3.1
107.01236	0.8
109.06460	0.7
113.02316	2.9
115.03876	8.6
119.03361	2.5
119.08515	1.0
125.02307	1.4
130.03957	0.6
137.09592	1.9
151.00212	3.3
163.00322	0.8
167.04871	0.7
175.02374	0.8
178.99762	0.9
179.05533	1.4
181.08591	1.6
187.03908	0.9
191.14343	0.8
194.82365	0.7
209.15349	1.8
211.03877	0.9
227.03459	35.8
229.04964	1.8
241.05162	0.7
243.02956	0.8
253.14452	3.9
254.92091	0.9
255.02975	54.2
256.03696	3.8
271.02621	3.3
271.15463	3.9
273.03998	0.6
284.03265	59.9
285.04022	17.3
300.02701	5.7
301.03577	7.2
327.05295	1.3
335.49542	0.7
433.08002	4.1
433.20801	21.8
447.09348	100.0
448.09756	1.5
553.51263	0.7
753.02081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
69.98920	0.9
84.87271	1.1
107.01213	1.3
115.00265	1.4
121.02919	1.3
122.55117	1.0
151.00287	9.3
163.00256	1.4
175.02393	1.7
178.99789	4.1
227.03502	2.1
243.02838	5.5
245.04474	1.8
255.02985	14.2
271.02515	27.9
299.02332	1.4
300.02762	66.5
301.03537	49.4
447.09357	100.0
477.10266	4.4
729.63379	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38743	11.7
61.98695	100.0
69.75307	11.7
80.29978	11.0
91.27818	11.5
91.76740	11.8
96.95868	25.3
102.98334	12.0
121.21835	12.7
123.88587	11.5
136.01514	16.0
150.03162	22.6
151.03949	20.2
162.03050	25.4
166.02647	13.3
167.03403	23.7
178.02669	17.4
179.03568	17.4
180.04141	57.9
192.04185	16.7
193.05069	20.3
195.06570	77.7
220.77356	12.3
228.89024	12.7
257.20065	14.9
309.11539	16.0
349.09457	14.0
409.16745	20.9
427.21545	26.5
848.75519	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	881.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
61.15324	1.7
62.85738	1.8
67.40186	1.6
80.96380	3.9
121.02804	3.1
122.89262	3.7
135.40128	1.8
145.06528	2.7
181.62276	1.9
214.95683	3.0
225.00560	2.4
230.97429	3.2
232.94557	3.6
234.96152	19.4
236.97716	17.8
248.94133	2.2
248.97705	20.1
391.35153	2.3
404.84961	2.8
439.14798	3.4
441.16580	3.5
478.67456	2.4
485.15536	100.0
486.15619	2.5
845.43573	11.3
875.90594	2.7
881.51898	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	883.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
62.29520	1.6
66.05145	1.0
72.99165	14.7
73.02811	2.2
74.51111	1.1
74.61511	1.2
77.22501	1.2
85.02818	1.5
87.04376	1.7
91.73321	2.5
97.02821	2.7
98.40936	1.3
99.04369	1.8
99.08050	1.6
106.37199	1.3
109.02771	1.3
113.02304	17.8
115.03875	1.4
116.66197	1.4
121.02861	1.5
121.10058	1.4
125.02322	5.8
125.09608	1.2
127.03894	4.2
136.33870	1.4
141.01849	5.2
142.68214	1.2
143.03409	5.2
147.04410	1.5
149.05943	11.0
149.09645	3.7
151.03812	1.4
165.12727	1.5
171.04419	1.4
174.03122	2.3
175.03915	2.5
177.05458	2.0
177.09117	1.9
177.14804	1.2
179.10684	3.9
181.12230	2.2
186.06805	4.0
193.12242	1.4
204.11484	4.0
205.12277	2.5
205.15948	4.3
207.10291	2.9
209.04520	2.1
212.98700	1.3
215.14359	7.2
217.15952	4.0
225.11096	1.7
231.13882	3.3
232.11053	3.8
233.15454	16.1
243.13918	14.4
259.13397	2.3
261.14957	16.0
277.14420	4.4
279.16174	2.9
287.12881	17.2
305.13959	45.2
307.11829	3.1
323.15088	2.0
331.11960	2.1
334.66052	1.5
349.12955	23.3
367.13989	66.6
395.12988	5.8
423.13010	100.0
424.13531	2.6
459.10693	84.1
460.10910	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	883.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
65.96719	0.4
68.50338	0.4
68.74648	0.4
71.13304	0.5
79.95593	1.2
84.52205	0.5
86.53436	0.7
86.70319	1.0
93.03325	1.0
96.95868	55.5
96.98333	0.9
104.96074	0.4
107.01266	1.2
113.97379	0.4
133.45424	0.4
135.00775	1.3
142.89540	0.4
151.00320	1.0
157.06448	0.7
159.04382	0.9
163.00279	1.6
167.64938	0.4
170.27467	0.4
171.04492	0.7
173.05960	0.5
178.99779	0.5
183.04420	0.7
185.06041	1.0
187.03915	2.0
189.05527	1.0
195.04424	0.8
197.06134	0.7
199.03902	1.2
211.03983	1.6
213.05559	1.4
227.03453	31.2
228.03912	0.8
229.05005	9.0
239.03394	0.9
240.04265	0.5
241.05078	0.9
255.02977	52.2
256.03699	4.1
257.04510	4.6
267.02951	0.5
271.02548	0.6
277.10788	1.2
284.03268	59.1
285.04044	84.0
286.04364	1.5
300.02823	0.6
315.01437	0.7
330.03787	1.4
350.75922	0.5
407.20996	1.2
431.09839	100.0
432.10251	3.4
460.65887	0.5
785.19812	1.0
823.77979	0.6
873.90839	0.5
911.89050	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01206	0.6
71.04871	3.2
72.97636	1.3
72.99164	100.0
73.00916	1.5
73.02798	3.4
81.03295	1.8
93.03313	1.0
97.02800	0.9
109.02794	0.7
113.02313	1.2
116.72086	0.3
119.04853	0.5
121.06448	0.5
125.02311	2.7
130.04115	1.2
133.06506	0.6
137.02274	0.5
141.01822	0.4
141.07086	0.5
147.04387	1.2
149.02371	0.4
149.09581	0.4
153.01816	1.1
158.03596	1.2
158.07269	0.8
159.04437	1.8
159.08052	3.7
163.07550	0.7
163.11176	1.6
165.01822	1.1
165.05528	0.4
167.03423	0.5
172.05302	0.4
173.05992	0.5
174.03159	1.1
175.03909	0.6
177.01848	0.6
177.09132	1.5
181.01332	0.4
185.06013	0.4
187.07608	2.4
191.03389	0.7
193.12263	5.3
200.04688	0.4
201.12843	0.6
202.06299	0.4
203.07114	0.6
203.14417	0.4
207.10207	0.5
214.09915	1.3
214.25500	1.2
215.14268	0.4
219.02980	0.4
220.11020	0.4
221.11697	0.5
225.36571	0.4
229.08617	3.3
230.09439	3.6
231.10175	1.0
231.13733	0.8
238.77594	0.7
241.12378	1.4
243.13898	2.3
247.09798	1.7
247.13454	0.4
249.14952	3.4
257.11835	1.0
258.09009	1.3
259.13419	5.9
275.09320	1.0
275.12888	0.9
277.14435	4.2
281.01334	0.4
285.11221	2.3
287.12881	6.3
293.10327	1.5
301.10791	0.6
302.07910	0.8
303.12372	13.2
303.15848	0.7
304.12823	0.4
305.13901	0.6
313.10843	1.7
319.11911	0.7
321.13507	0.6
331.12027	0.6
337.12863	0.7
347.11407	3.9
349.12943	0.6
365.12418	29.4
366.12808	0.7
375.10858	6.7
377.12408	0.6
393.11920	19.7
394.12247	0.8
421.11414	48.5
422.11792	1.4
698.88208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01236	11.8
78.95770	2.3
80.28616	1.7
83.01248	4.3
85.02805	2.3
87.00739	24.3
99.00735	2.3
101.02290	2.3
111.00745	4.7
115.00237	56.3
115.01033	3.2
139.00261	6.8
157.01340	8.2
175.02394	100.0
209.11845	2.1
241.14478	5.1
261.15106	3.7
268.46420	1.7
269.49045	1.8
277.21774	22.2
459.99878	2.0
765.44495	14.4
779.46021	4.5
783.44672	2.5
803.46484	3.6
821.46954	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	883.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01236	11.8
78.95770	2.3
80.28616	1.7
83.01248	4.3
85.02805	2.3
87.00739	24.3
99.00735	2.3
101.02290	2.3
111.00745	4.7
115.00237	56.3
115.01033	3.2
139.00261	6.8
157.01340	8.2
175.02394	100.0
209.11845	2.1
241.14478	5.1
261.15106	3.7
268.46420	1.7
269.49045	1.8
277.21774	22.2
459.99878	2.0
765.44495	14.4
779.46021	4.5
783.44672	2.5
803.46484	3.6
821.46954	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	884.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
67.15158	0.9
81.58231	1.1
91.02903	1.1
91.72857	1.3
107.01266	2.8
108.02050	1.5
151.00221	6.8
178.99789	3.3
179.39853	1.2
226.02843	1.6
227.03537	2.7
230.92435	1.1
243.02954	9.5
254.02290	2.7
255.02956	23.7
256.03448	1.4
271.02493	53.2
271.68549	1.2
272.03128	3.5
299.02121	3.0
300.02759	100.0
301.03381	11.5
301.06137	1.2
429.08444	1.8
609.14569	23.0
745.77094	1.5
755.18298	57.1
756.19012	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
62.23918	1.1
62.77755	1.1
69.03304	2.5
71.04880	1.4
72.99167	17.3
73.02808	2.7
85.02788	3.7
87.04388	2.1
97.02814	3.5
97.43946	1.5
99.04414	1.6
109.02818	2.6
111.04401	1.9
113.02304	23.1
121.02734	1.4
125.02310	8.1
139.03914	1.6
141.01834	10.5
143.03366	5.7
147.04451	2.2
149.05972	15.9
149.09612	2.4
151.03787	1.4
151.11200	2.1
153.01891	1.5
158.07254	1.6
165.05464	2.2
175.03900	3.6
175.07620	1.7
177.05481	3.4
179.10693	2.3
181.12233	2.7
186.06812	5.5
193.04987	1.6
203.14288	1.9
204.11496	5.2
205.15964	4.8
207.10194	4.8
215.14389	10.0
217.12372	1.9
217.16034	4.7
231.10341	1.6
231.13977	2.8
232.11060	5.0
233.15421	21.1
238.78127	1.4
243.13921	12.5
259.13345	3.9
261.14951	20.1
263.12952	2.5
277.14429	5.9
279.15958	2.8
287.12878	14.0
305.13934	42.6
306.14688	1.9
307.11923	3.8
333.58771	1.7
349.12881	25.8
351.14478	2.1
362.87619	1.5
367.13995	100.0
368.14331	4.5
378.17456	1.4
395.13486	9.6
423.12988	88.7
424.13400	3.9
425.14331	3.2
460.11111	1.6
461.10452	8.7
461.21783	1.7
743.94769	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	885.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01775	2.7
69.03319	11.2
71.01252	3.4
72.97574	1.6
72.99166	73.9
77.15440	1.0
84.02024	1.8
87.00810	1.1
91.73273	1.8
93.03370	1.6
95.04897	1.7
96.16250	1.4
99.04296	1.3
99.08023	6.2
104.06288	1.2
107.04913	3.6
108.02081	1.3
109.02841	4.3
113.09649	1.2
119.04953	1.9
121.02828	6.8
122.03621	1.9
123.04397	11.3
125.02392	3.0
125.09641	5.2
133.02808	1.7
135.04399	32.9
136.01588	1.2
137.02370	2.1
137.05936	7.4
141.09148	4.8
143.04973	1.2
147.04387	14.3
147.05356	1.2
149.02362	3.4
149.06033	3.3
150.03156	3.7
151.03867	11.6
151.07599	3.3
153.01889	4.0
153.09148	5.1
159.04494	2.6
160.05193	2.5
161.02409	2.9
161.06064	1.8
163.03920	7.5
164.04706	2.4
165.05455	8.4
167.03333	1.2
167.07123	6.3
169.05009	3.3
169.08612	11.3
169.09868	1.5
171.04501	3.0
173.02393	2.0
173.06033	4.0
174.06804	3.0
175.03978	3.4
177.01907	2.1
177.05528	3.2
178.48840	1.2
179.03415	25.7
184.05235	1.8
185.06093	3.4
186.06877	6.4
186.10457	1.6
187.03918	8.7
189.05569	2.9
191.03479	2.0
197.08148	3.3
197.13303	1.4
199.04007	2.8
201.05605	4.9
201.09245	2.9
202.06308	12.6
202.91154	1.3
204.08002	2.1
205.05081	3.5
212.04819	2.4
213.05605	3.1
213.12810	3.1
214.06259	11.0
214.09950	1.3
215.14441	4.2
217.12389	10.0
229.04993	1.8
229.12421	2.0
230.05844	10.6
231.06660	1.4
231.13945	7.1
233.15390	2.6
241.12421	4.6
243.13913	11.5
244.11273	1.7
246.05392	4.1
249.15065	4.1
254.09377	1.3
256.11136	1.6
257.11911	1.4
259.13394	29.0
259.15842	2.0
261.14978	4.3
269.11865	11.7
271.13379	15.2
271.15759	1.6
277.14609	5.1
287.12921	48.9
289.14557	5.3
303.12521	2.9
305.13983	22.0
313.10895	3.4
315.12543	5.2
321.13461	10.0
331.11786	8.6
333.13486	9.0
349.12946	84.9
350.13318	1.7
351.14539	2.1
359.55652	1.4
377.12436	14.4
383.13583	2.5
393.12033	3.7
395.13480	85.6
396.14139	1.8
421.11343	3.3
439.12469	100.0
440.12915	2.7
510.94183	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01236	13.5
73.02824	2.8
78.95755	7.2
83.01243	2.6
85.02796	4.1
87.00726	3.3
89.02284	14.8
96.10675	1.9
96.95857	5.5
97.02838	3.1
97.46578	2.0
101.02316	13.3
103.23831	2.3
103.60039	2.2
113.02319	9.5
119.03371	5.1
125.02303	7.3
143.03407	3.4
152.99463	7.1
161.04474	5.3
171.10168	100.0
179.05554	3.5
212.93071	2.5
235.08212	5.6
245.04263	2.8
248.60564	2.8
255.23279	22.0
277.21765	64.1
379.12411	14.4
397.13531	49.7
415.14523	11.0
481.26044	5.0
483.26776	13.4
512.91071	2.7
569.24609	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	889.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89370	1.0
71.01241	12.4
73.02811	4.7
73.26121	1.1
78.95765	5.1
83.01240	3.3
85.02822	2.7
87.00739	3.6
89.02295	15.2
96.95864	3.4
97.02821	2.3
101.02288	11.6
112.49252	1.4
113.02341	6.5
119.03362	3.7
125.02327	6.1
125.09558	1.5
143.03348	2.4
152.99452	8.2
161.04483	3.5
171.10170	100.0
179.05516	3.1
183.33005	1.4
187.35968	1.4
187.62991	1.4
217.07050	2.4
235.08223	4.9
255.23338	16.0
259.08722	1.5
277.21725	54.9
305.08929	2.2
379.12430	13.2
397.13528	43.3
401.23071	2.6
415.14825	6.9
481.25845	3.2
483.27228	14.2
534.26941	1.5
551.23535	2.9
569.24664	5.4
586.23712	1.7
889.49860	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	893.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
70.47202	0.7
72.99126	0.8
73.21785	0.9
76.68785	0.7
78.95759	100.0
80.00455	0.8
84.30801	0.8
85.02789	0.9
87.00757	1.1
96.96809	15.0
105.54675	0.9
109.49869	0.7
113.02313	1.1
119.48737	1.0
125.02312	1.1
241.01175	23.1
259.02289	3.6
283.02115	1.4
301.03137	1.1
376.22464	3.7
394.23923	2.1
412.46982	1.2
556.28741	9.4
596.12305	3.6
598.29675	3.7
893.39001	53.9
894.38641	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	894.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
62.02284	0.4
78.95762	15.0
89.56274	1.3
89.56886	1.0
96.95913	0.9
102.85355	0.5
121.99984	1.1
140.01068	5.2
152.99469	1.6
178.77312	0.4
179.86005	0.5
183.67722	0.5
196.03752	9.8
213.80815	0.5
214.04787	1.9
254.89537	0.4
261.22083	0.5
279.23294	100.0
280.23621	2.1
360.11255	0.6
476.27835	77.0
477.28098	2.5
859.23169	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
62.37852	0.3
63.02289	0.4
65.00185	0.6
72.99194	0.5
85.02809	0.6
91.57001	0.4
97.52467	0.5
100.45750	0.4
103.59185	1.1
103.59938	0.9
107.01247	1.8
108.02032	0.7
109.02813	0.5
111.04388	2.3
121.02833	1.3
123.04428	0.6
148.01456	0.8
151.00252	8.4
163.00208	2.1
164.01219	0.5
164.26552	0.3
169.01311	0.8
178.99783	3.9
181.08636	2.1
199.09659	4.0
203.18761	0.3
211.03940	1.1
226.02776	0.6
227.03423	1.9
229.05009	0.5
241.10735	2.3
243.02991	6.3
244.03433	0.4
245.04565	1.0
254.02213	1.7
255.02971	19.9
256.03647	0.5
271.02493	43.7
272.03104	2.6
273.04077	0.7
283.02573	0.9
299.02155	0.9
300.02756	87.8
301.03513	30.5
302.03818	1.0
343.04608	0.7
529.71796	0.4
544.14838	0.4
609.14667	100.0
610.14856	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	895.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93317	1.7
71.01240	10.0
71.93260	2.0
72.91280	1.8
72.99171	19.9
73.02787	2.6
75.07858	1.9
79.35514	2.1
83.04860	2.7
98.34930	2.3
107.04879	2.3
111.04396	3.8
113.02338	2.2
113.54805	2.0
121.02837	2.4
121.10123	2.6
124.01541	2.2
125.02321	6.3
133.06430	2.7
135.04385	4.3
138.03102	5.9
139.03882	5.6
141.01819	3.0
149.02315	5.7
149.05966	81.4
151.03903	4.4
151.07581	2.9
159.04428	3.1
161.02405	2.5
164.54144	2.2
166.02597	8.4
167.03447	3.4
167.07094	2.8
175.03879	5.1
177.05479	100.0
177.12848	5.4
178.02559	3.5
178.05818	4.9
179.10696	2.5
187.20311	2.4
193.05031	9.8
193.12292	2.5
195.06525	5.2
203.05229	3.8
203.07071	4.2
205.05150	2.7
212.86514	2.2
213.05540	3.2
217.12254	4.6
217.15900	7.2
227.14427	4.0
231.06558	4.3
233.11929	2.5
233.15427	4.5
239.05585	13.4
243.06685	3.1
245.11909	7.5
245.15520	9.5
257.04602	2.6
261.15161	3.0
271.13345	6.5
277.14456	5.3
279.16064	3.8
289.14444	12.3
305.13937	17.0
307.15582	6.8
317.14041	8.3
320.12500	3.0
333.13727	2.9
351.14523	59.8
361.14746	2.9
377.14288	6.0
379.15805	19.7
451.14328	10.2
594.73364	3.2
687.28864	2.8
688.89465	2.7
717.29669	5.4
895.30627	90.7
896.30725	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	895.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
63.08532	3.9
65.26925	4.3
71.01221	8.4
72.99165	19.0
90.68559	4.2
96.95892	4.7
109.30216	4.8
110.92429	4.1
113.02296	5.3
119.55148	5.3
121.57222	4.6
122.88379	4.3
125.02335	8.0
149.05945	62.1
149.77686	4.8
151.07530	4.9
166.02650	5.9
167.03334	5.0
177.05481	100.0
177.12776	5.9
178.05821	6.1
193.04930	5.1
196.53503	4.6
217.12340	5.0
239.05664	13.8
245.11702	6.2
277.14725	4.8
289.14468	9.5
305.13965	11.3
307.15628	7.8
308.09982	6.0
312.40021	5.5
351.14490	44.4
379.15891	12.9
413.01273	5.0
447.46777	5.5
451.14310	6.7
465.02789	5.6
895.30835	77.9
913.54260	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	895.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
65.56342	17.2
77.19983	21.0
88.07312	18.0
102.50138	21.7
113.09970	21.7
121.02915	26.3
145.36902	24.1
150.03145	22.4
161.28944	20.7
180.04295	88.7
181.05025	25.7
193.05115	36.0
195.06645	98.2
209.08118	26.2
271.85092	21.9
289.57108	24.9
298.74222	24.0
379.15701	28.3
391.25552	22.6
393.17331	100.0
405.17209	93.5
411.18289	54.2
423.18277	69.4
439.45624	26.1
596.77008	28.2
648.73132	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	897.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
65.92605	2.0
68.08264	2.1
72.99171	8.1
82.62256	2.0
83.01251	3.0
84.40169	2.4
93.03298	3.0
95.01283	2.7
103.00296	3.0
107.04895	5.5
109.02811	9.8
121.02828	6.8
123.00731	2.9
123.04411	7.0
125.02319	76.2
133.02829	4.6
135.04375	3.0
137.02332	19.6
139.03886	2.8
146.99202	3.4
149.02296	6.8
151.03935	15.3
151.05006	2.4
154.98538	2.6
159.04443	3.5
160.06303	2.4
161.02338	2.7
163.00270	3.6
163.03885	4.9
164.01108	4.6
165.01840	9.4
165.05482	15.0
167.03387	4.5
175.03885	19.5
177.00290	5.2
177.01845	100.0
178.02251	3.5
179.03423	4.4
187.03946	3.9
189.05602	2.7
190.02658	3.6
193.01454	2.8
193.04980	6.8
194.62418	2.8
197.04550	2.5
199.04019	5.1
201.05521	3.5
205.04889	3.5
207.03021	2.7
217.05048	8.4
219.02953	6.4
229.05087	3.6
243.03000	41.0
244.03590	2.7
245.04762	2.9
245.08104	5.8
255.02911	11.3
255.05147	24.4
256.03784	4.3
257.04672	3.1
261.04031	13.0
268.51788	2.9
269.04584	3.8
271.04669	3.8
273.04074	4.7
283.02554	3.3
285.03925	3.3
287.04050	5.7
289.07184	17.3
296.03400	2.7
301.03674	3.7
303.05182	18.0
305.06964	5.1
317.48053	2.8
407.07922	15.5
423.07364	6.8
425.08838	8.7
429.08423	5.8
439.06876	7.8
441.08368	4.3
467.09763	4.3
481.08051	4.6
525.08221	5.7
543.09534	9.0
552.34656	3.0
593.13354	9.0
609.12384	4.4
711.13373	15.3
729.15552	3.6
771.16046	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	897.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
76.09141	1.4
93.03295	1.7
95.04902	1.8
100.28165	1.5
107.04880	3.2
109.02795	8.5
113.67550	1.6
116.36020	1.5
121.02828	5.9
123.04365	4.7
125.02319	80.2
125.03247	4.0
131.04858	1.9
133.02827	2.8
135.04393	2.3
137.02299	15.2
139.03850	3.9
147.04388	2.1
149.02374	7.6
151.03899	14.8
153.66850	2.2
155.04895	1.9
161.02370	6.2
163.00201	3.9
163.03903	5.3
164.01021	5.4
165.01779	8.5
167.03371	3.0
175.03903	18.7
177.01852	100.0
179.03413	3.8
187.03972	4.8
189.01817	4.1
191.03410	4.4
193.05014	2.5
199.03917	6.8
201.01787	2.9
203.03461	2.3
203.07059	3.8
205.04991	3.7
212.53078	1.6
217.04985	10.9
219.02975	6.9
227.03372	2.6
229.04987	4.4
231.03108	2.9
241.04938	2.7
243.02965	47.8
245.08153	4.9
255.02914	14.0
256.03683	2.7
257.04669	2.6
259.06143	2.5
261.04074	17.6
267.03043	2.0
269.04584	3.8
273.04095	4.0
282.01779	2.9
283.02451	6.1
285.04071	4.7
287.05649	3.7
289.07230	20.1
297.03894	2.5
303.05133	17.7
305.06760	5.8
309.03580	1.7
319.88647	1.8
339.08682	2.7
374.04504	1.7
391.04529	4.1
405.69464	1.9
407.07776	17.0
421.05624	4.3
423.07291	8.4
425.08768	6.9
429.08423	7.0
439.06879	4.7
441.08231	2.2
467.09906	6.8
481.08084	2.6
525.08521	5.2
543.09460	10.5
561.10443	4.4
593.13184	7.9
609.12024	2.8
625.70892	1.9
711.13696	18.2
729.14697	6.3
897.19250	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	897.189
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00184	0.8
65.03770	1.2
81.03308	1.5
83.01247	3.1
85.57890	0.7
87.44267	0.8
93.03301	3.0
95.04892	1.4
97.02811	1.8
97.94279	0.9
98.63657	0.8
107.04894	2.8
107.87338	0.9
109.02819	11.5
116.24221	0.8
121.02832	5.7
123.00759	1.3
123.04389	6.8
124.01548	1.5
125.02315	86.0
125.05970	1.2
126.02627	1.0
131.04890	1.0
133.02853	4.2
135.04375	1.3
137.02325	16.8
138.03101	1.2
139.03902	3.2
141.59520	0.7
147.04384	1.2
149.02345	10.5
149.05905	0.8
150.03052	0.9
151.03885	11.9
153.95471	0.8
155.56372	0.7
159.04396	2.1
161.02339	4.6
161.05939	2.2
162.03133	1.0
163.00288	3.3
163.03897	4.3
164.00990	4.0
165.01839	6.2
167.03398	3.8
173.02431	1.0
173.05962	1.0
174.03136	1.1
175.03914	16.7
176.01085	1.5
177.01848	100.0
178.02357	1.3
179.03432	3.2
185.06020	0.9
187.03964	5.3
188.04712	1.1
189.01863	3.5
189.05498	1.8
190.02673	0.9
191.03484	4.0
193.05074	1.8
193.67628	0.7
199.03908	6.8
199.07565	0.8
201.01810	1.4
201.05545	1.4
202.06201	0.9
203.03433	2.3
203.07077	4.4
203.26924	0.8
205.01399	2.5
205.05020	3.3
211.04018	1.5
213.05624	1.6
214.02722	1.0
215.03445	3.3
217.01526	1.4
217.04988	10.0
219.02954	8.4
219.06587	1.3
225.05502	1.0
227.03432	2.8
229.05051	3.5
231.02959	2.3
231.06693	0.9
233.04674	1.0
241.05020	1.8
242.02267	1.2
243.02972	42.9
244.03421	0.9
245.04623	1.1
245.08159	6.1
253.04976	1.2
255.02983	14.4
256.03806	4.0
257.04602	2.7
259.06146	1.3
261.04044	15.1
267.02853	1.6
269.04495	4.2
271.06213	1.6
273.04004	2.4
280.03708	0.9
281.04617	3.5
283.02563	5.3
285.04150	5.0
287.05682	1.7
289.07214	22.3
293.04608	1.5
295.02487	2.0
297.03973	3.0
297.07333	1.0
301.03659	1.0
303.05093	20.6
305.06906	5.6
315.05048	3.7
315.08572	0.9
339.08609	1.4
341.06714	1.9
365.06296	0.9
379.04425	1.0
383.07666	1.2
391.04480	3.4
403.04782	1.1
407.02451	1.2
407.07779	23.7
411.07214	1.6
421.05557	3.7
423.07144	6.4
425.08838	10.3
429.08228	3.8
439.06763	3.6
441.08362	2.9
451.06754	0.9
465.08115	1.3
467.09607	5.6
481.07855	2.0
483.09406	1.0
517.11292	0.9
525.08002	4.9
543.09381	11.4
559.08649	3.7
561.10449	3.9
577.09747	1.2
585.10272	1.6
593.13031	8.4
603.11652	2.8
607.10907	2.1
609.12756	2.0
711.13605	15.6
729.14362	5.7
771.15363	1.2
897.19177	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	897.281
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40735	2.1
69.58640	2.6
71.01234	12.8
73.02808	2.8
81.03384	2.4
83.01250	6.7
85.02824	10.2
89.02298	7.7
91.73381	2.3
93.03321	3.4
95.04977	2.4
99.00761	5.7
101.02290	13.4
109.02816	11.4
113.02318	11.7
119.03352	4.6
121.02816	5.2
123.04409	7.6
125.02319	92.9
131.04962	2.8
133.02835	3.0
137.02316	23.7
143.03412	3.2
146.03633	3.0
149.02347	11.1
151.03922	19.1
159.04419	3.8
161.02399	4.7
161.04459	12.2
161.05804	3.9
163.00327	3.0
163.03944	5.5
164.01080	4.8
164.04698	3.2
165.01828	7.5
167.03505	3.2
170.28137	3.1
175.03929	22.6
175.96156	2.7
176.04665	3.4
177.01840	100.0
179.03424	5.5
179.05551	4.2
179.07095	4.8
180.04128	3.7
187.03938	6.5
189.01880	3.5
191.03416	5.5
191.06999	3.6
192.13187	2.8
199.03961	9.7
201.35867	3.6
203.07066	4.8
205.05008	4.0
215.22415	3.3
217.04887	14.5
219.03018	10.9
229.05069	5.1
243.02962	38.8
245.08247	5.3
245.90846	2.9
255.03009	13.8
256.03860	4.3
261.04102	15.7
269.04410	5.6
274.36740	2.9
281.04587	4.6
283.02448	5.1
285.04016	6.7
289.07248	26.7
303.05096	22.8
305.06827	6.1
316.91397	4.2
323.09830	66.8
339.08640	4.1
375.14609	6.5
407.07751	27.2
423.07623	3.6
425.08853	14.2
429.08359	7.4
439.06879	4.3
467.09900	9.0
501.52124	3.3
517.10968	3.7
519.17383	11.7
525.08179	8.9
543.09259	19.0
561.10376	3.7
593.13049	7.9
607.11139	4.5
608.40546	3.9
699.25098	26.4
711.13647	16.7
729.14795	7.9
748.17035	3.4
897.27930	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	897.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01230	0.8
73.02793	0.4
75.13145	0.5
81.03335	0.4
83.01254	0.7
85.02761	0.6
86.88132	0.4
86.99677	0.5
89.02274	0.5
92.09545	1.1
92.10162	0.9
93.99932	0.4
101.02290	1.6
107.01229	1.5
108.02014	1.0
109.02843	0.6
113.02283	0.8
115.03864	2.2
119.03331	0.4
121.02791	1.2
123.65343	0.4
126.94707	0.4
148.01532	0.6
151.00270	8.1
163.00288	1.5
164.00983	0.4
178.99788	3.2
199.03929	0.5
201.05460	0.7
207.49104	0.5
211.03937	0.8
226.02522	0.5
227.03517	1.9
229.04979	0.6
240.03816	0.4
243.03003	5.8
244.03720	0.5
245.04506	1.2
254.02248	1.8
255.02985	19.1
255.05711	0.9
256.03494	0.6
271.02509	41.5
272.03055	1.3
273.04178	0.9
283.02487	0.7
300.02768	84.3
301.03537	33.7
302.03528	0.5
415.19836	1.5
433.20813	11.7
463.08884	100.0
464.09085	1.5
561.58258	0.5
607.95294	0.4
626.05341	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01236	17.2
71.02810	0.3
72.99155	1.0
73.02795	0.8
78.95753	0.5
81.03317	2.4
83.01237	1.6
84.01993	0.3
85.02799	3.9
87.00736	0.7
89.02295	25.0
91.73300	0.6
95.01250	0.8
96.95838	0.3
97.02823	0.9
97.96159	0.3
99.04375	3.1
101.02302	16.7
113.01560	0.6
113.02309	8.8
115.03880	2.9
119.03364	11.1
125.02377	0.3
131.03352	0.8
139.11206	0.4
143.03413	2.1
147.84833	0.5
149.04369	0.6
151.11159	0.4
152.99574	0.3
161.04445	1.2
163.11160	0.8
169.12190	0.4
175.14821	1.0
179.05522	3.9
181.12210	0.8
193.15898	9.1
199.86560	0.4
209.15529	0.5
219.13991	0.4
237.14932	3.3
255.16028	1.7
264.20532	0.3
273.17276	0.5
296.72476	0.5
391.21439	0.4
417.21167	0.5
435.22372	100.0
436.22491	2.9
641.05054	0.4
868.16675	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95585	3.3
96.93076	1.1
96.95867	100.0
96.98338	1.4
120.17482	0.2
192.50299	0.3
228.37476	0.3
261.32654	0.3
286.01166	1.0
287.01901	0.3
287.09546	0.3
301.03680	0.4
315.01480	0.4
329.03101	2.7
330.03864	0.7
331.04593	0.8
492.09286	0.3
544.12653	0.3
600.63092	0.3
619.36328	0.3
639.15656	0.7
801.21033	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	899.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
66.70782	0.5
79.95598	3.5
96.95867	100.0
138.47729	0.5
169.06236	0.7
199.07504	0.7
225.53528	0.6
401.18332	0.7
801.31873	1.4
839.26013	6.0
927.10315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02250	0.8
63.28523	0.3
65.00176	0.5
67.23551	0.5
67.73640	0.3
68.77823	0.3
70.45854	0.3
70.88073	0.4
71.13657	0.3
81.21068	0.3
83.01241	0.7
93.03317	0.9
93.99302	0.3
96.96842	0.5
101.20903	0.6
101.21480	0.4
101.28924	0.3
101.42703	0.3
104.01312	0.4
105.37406	0.3
107.01297	2.0
108.24109	0.8
108.24812	0.7
114.41015	0.4
117.03329	2.2
119.04915	1.8
125.02278	0.4
132.02066	0.6
135.00705	0.5
145.02832	7.4
151.00262	4.2
152.00989	0.4
156.43213	0.4
159.04417	0.5
161.06015	0.7
163.00287	1.3
163.03947	1.9
164.01100	0.9
169.01291	1.0
171.04456	0.4
174.53441	0.4
178.99773	1.3
183.04509	1.6
185.05936	0.8
187.03923	1.0
189.05573	0.4
191.05563	0.5
199.03978	0.8
202.46562	0.4
209.00797	0.4
210.54970	0.4
211.03941	2.6
212.04686	0.7
213.05544	0.9
227.03461	28.1
229.05069	2.5
239.03471	1.0
241.05200	0.6
243.02885	0.7
255.02986	70.4
256.03769	4.9
257.04547	2.4
271.02539	0.7
281.04395	0.5
283.02496	26.5
284.03275	100.0
285.04056	28.9
300.02847	0.7
314.04352	0.5
327.05121	0.5
413.08887	2.7
446.08597	1.4
502.74258	0.4
575.13953	0.6
593.15167	22.2
663.38885	0.4
739.18921	86.4
740.19257	1.3
769.21936	0.5
901.24091	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02253	0.8
63.28531	0.6
65.00178	1.0
66.10963	0.3
67.23524	0.9
73.97308	0.3
79.77101	0.3
83.01236	1.0
93.03300	0.8
107.01239	2.5
108.24146	0.6
108.24760	0.6
117.03349	1.7
119.04904	1.7
121.02831	0.4
132.02065	1.0
133.19302	0.3
134.13824	0.3
135.00781	0.9
143.04907	0.5
145.02835	6.6
151.00243	5.0
152.01019	0.6
159.04456	0.5
161.05812	0.5
163.00272	1.3
163.02652	0.4
163.03885	1.8
164.01071	1.0
167.04913	0.5
169.01309	0.7
174.72729	0.4
178.99791	0.9
183.04436	1.9
185.06046	1.0
187.03952	1.4
189.05550	0.5
195.04414	0.6
197.05998	0.5
199.03923	0.7
200.04723	0.7
205.04892	0.5
205.83916	0.4
211.03978	2.6
212.04797	0.4
213.05528	1.2
227.03464	43.2
228.03972	0.6
229.04974	4.1
238.53055	0.4
239.03386	1.2
240.04523	0.4
241.04991	0.9
255.02983	79.1
256.03729	6.4
257.04529	3.1
281.04547	1.0
283.02505	9.0
284.03268	100.0
284.15405	0.9
285.04037	29.1
309.03903	0.7
326.04224	1.4
327.05118	0.6
413.08728	1.9
488.61032	0.4
575.14124	0.6
593.15161	14.5
606.12482	0.4
635.16077	0.7
739.18866	64.4
740.18958	1.2
781.19861	1.1
901.24072	18.4
902.24182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2417
Annotation	Kaempferol 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Peak:m/z	Relative Intensity
63.02259	0.7
67.23518	1.4
67.23837	0.8
77.92757	0.6
82.00829	0.6
83.01233	1.0
93.03303	0.8
100.88411	0.6
101.21570	0.6
107.01243	2.1
108.24136	0.6
108.24786	0.7
117.03304	1.5
119.04899	3.1
125.02367	0.5
132.02054	1.0
135.00737	1.2
143.04953	0.6
145.02837	6.0
150.27170	0.6
151.00266	4.7
163.00247	1.2
163.03922	2.8
168.13077	0.6
169.01280	1.5
178.99785	1.0
183.04408	1.3
185.05881	0.8
187.03966	1.1
205.05014	0.9
211.03900	2.3
213.05576	1.2
227.03464	37.8
228.04189	0.8
229.05028	2.4
239.03534	1.4
241.04980	1.0
247.72498	0.6
255.02983	73.9
255.14038	0.9
256.03760	5.6
257.04504	4.0
267.02954	0.8
283.02472	7.9
284.03271	100.0
285.04044	31.9
300.02795	1.3
309.03961	0.9
327.05002	1.1
413.08801	2.6
593.15131	12.3
610.36115	0.7
618.29254	0.6
739.18915	54.1
755.19415	1.6
781.20477	1.2
901.24170	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	901.2626
Annotation	Kaempferol 3-glucosyl-(1->3)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)-galactoside]
Peak:m/z	Relative Intensity
63.02259	0.6
65.00192	0.4
67.23543	0.3
74.60564	0.2
83.01240	0.6
85.18217	0.2
92.26548	0.2
97.63314	0.2
100.46035	0.3
101.21064	0.3
101.42840	0.3
107.01237	1.6
108.24257	0.4
108.24874	0.4
117.03304	0.9
123.00736	0.3
125.02405	0.3
132.02019	0.5
135.00784	0.5
151.00267	4.2
152.01039	0.3
159.04427	0.8
163.00249	0.5
164.00966	0.4
167.04922	0.6
169.01315	0.6
171.04385	0.3
178.99794	2.0
183.04436	3.4
184.27438	0.3
185.02347	0.7
185.05978	0.3
187.03928	0.4
195.04416	0.3
199.03918	0.6
202.47356	0.4
211.03949	2.7
213.05457	0.3
215.03485	0.4
227.03459	27.5
228.04211	0.4
229.04990	1.3
239.03499	0.9
241.04884	0.5
253.04904	0.5
253.73393	0.3
255.02979	80.2
256.03754	3.6
257.04575	1.9
269.04413	0.4
280.03867	0.3
283.02490	60.7
284.03265	92.9
285.04050	17.5
309.04044	1.0
326.04236	1.3
327.04980	1.2
339.04971	0.3
446.08539	4.8
575.14337	1.2
739.20996	100.0
740.20959	0.7
740.74677	0.3
781.22888	0.4
901.26685	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02270	0.4
65.00189	0.9
71.01231	0.7
81.03312	0.7
83.01226	3.6
83.67966	0.6
85.49010	0.5
88.64715	0.5
89.02299	1.0
90.67428	0.5
91.73335	0.5
93.03319	1.1
95.01201	0.6
100.52516	0.4
101.02288	0.9
107.01230	2.5
107.04886	0.7
109.01193	0.4
109.02827	0.9
112.18827	0.4
113.02353	0.6
116.32088	0.4
117.03336	0.8
121.02781	1.0
123.04410	0.7
124.01504	1.1
124.98764	0.8
125.02314	56.1
126.02637	4.3
127.02790	0.8
131.04866	0.6
133.02856	0.9
137.02306	0.8
139.03891	1.4
149.02315	6.5
149.07559	0.4
151.00264	12.1
152.01019	3.4
153.01828	5.0
159.04407	0.4
163.00244	0.9
165.01816	1.0
167.03464	0.8
169.06537	0.8
171.04373	0.6
172.05254	0.9
173.05952	2.7
176.01077	0.9
177.01843	0.5
177.05501	1.3
177.23979	0.4
178.99777	10.7
179.03323	2.7
180.00206	0.7
181.06523	0.9
191.03391	0.5
196.05173	0.4
197.06067	1.3
199.07671	0.7
201.05536	2.6
202.05826	0.5
213.05589	0.5
215.07066	3.8
225.05569	2.3
226.05916	0.4
241.05038	1.4
242.05312	0.5
243.06602	3.9
244.06728	0.5
259.06116	53.4
260.06467	6.0
261.06720	2.4
269.04565	43.9
270.04913	6.9
271.05057	2.0
283.06186	1.0
287.05621	23.9
288.05911	4.5
289.06210	1.6
311.05719	0.9
342.05997	0.9
363.16727	0.6
421.11157	0.7
431.09839	1.7
431.15186	0.5
449.10904	100.0
450.11255	16.0
451.11536	12.8
451.21365	3.6
560.24750	1.1
576.19897	0.4
756.62268	0.5
785.93427	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.5637
Annotation	Unknow
Peak:m/z	Relative Intensity
73.69313	0.1
76.59632	0.1
93.03338	0.2
103.75005	0.1
117.03329	13.8
118.04118	3.1
119.04893	21.5
119.08183	0.3
120.05171	0.1
121.02817	5.9
123.04379	1.8
133.02832	1.7
134.03641	0.5
144.97859	0.2
145.02835	33.3
145.07275	0.3
146.03163	0.2
147.04355	0.2
162.03111	2.7
162.04367	0.2
163.03909	9.8
195.55833	0.1
248.21066	0.2
303.47440	0.2
375.28879	0.2
417.26749	0.1
419.28064	100.0
420.28305	0.9
458.34149	0.1
544.01770	0.1
756.48645	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	909.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02258	0.2
65.00182	0.7
83.01222	0.4
91.72666	0.4
95.10717	0.2
103.59235	0.4
103.59946	0.3
105.74038	0.2
107.01257	1.6
108.02026	0.8
109.02812	0.7
111.14713	0.2
119.01289	0.2
119.80855	0.2
121.02802	1.6
124.10329	0.2
135.00739	0.5
141.57236	0.2
148.01520	0.9
149.02322	0.2
151.00255	9.5
159.04382	0.2
163.00266	1.8
163.03946	0.2
164.00996	0.7
165.01865	0.3
169.01326	0.5
178.99765	4.6
183.04500	0.2
183.06525	0.3
187.03886	0.3
189.05353	0.3
190.02701	0.2
190.99767	0.4
192.00565	0.4
193.01312	0.2
199.03879	0.3
201.05603	0.2
203.03392	0.2
211.03938	0.6
212.04947	0.2
213.05507	0.2
216.04103	0.4
226.02597	0.8
227.03481	2.2
228.04213	0.2
229.04909	0.8
239.03320	0.2
243.02969	7.8
245.04437	0.9
254.02205	1.9
255.02968	22.3
256.03458	0.4
271.02487	45.1
271.13986	0.5
272.03128	1.7
273.04022	0.9
283.02441	0.9
299.02017	1.4
299.14868	0.6
300.02747	87.6
300.16190	0.8
301.03525	30.4
302.03864	0.4
343.04541	0.6
391.17627	0.2
398.18152	0.2
609.14648	100.0
610.14862	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	910.5813
Annotation	Unknow
Peak:m/z	Relative Intensity
68.24528	0.1
77.61587	0.1
78.95739	0.3
89.11219	0.1
91.01714	0.2
93.03310	0.3
106.22416	0.2
116.99964	0.3
117.03325	18.5
118.04128	2.5
119.04890	22.8
120.05260	0.2
121.02815	6.5
123.04378	1.8
133.02823	1.9
134.03616	0.4
144.98132	0.6
145.02832	49.0
146.03159	0.5
149.02272	0.2
152.99535	0.2
162.01874	0.2
162.03127	2.7
163.03903	11.2
164.04227	0.2
170.74782	0.2
195.01770	0.1
242.75290	0.2
255.23280	0.7
371.25897	0.3
415.24918	100.0
416.25311	3.2
866.82391	0.3
892.99762	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	911.356
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93459	1.0
69.03352	1.6
71.01239	43.6
71.04879	20.2
71.05212	1.3
72.99183	2.7
73.02803	55.7
75.00762	1.3
76.54400	1.0
81.03307	13.2
83.01242	17.7
83.01679	1.1
83.03135	1.0
83.04906	1.7
85.02798	12.7
85.03210	0.9
87.00762	3.0
87.52837	1.0
89.02296	17.7
95.01273	1.8
97.02807	9.3
99.00794	4.1
99.04362	6.1
101.02303	58.0
105.84644	1.1
108.88761	1.4
113.02306	23.6
115.03874	100.0
115.07007	1.5
119.03368	11.4
125.02335	3.2
126.03138	2.4
131.03423	3.8
135.42668	1.2
137.09639	3.8
139.11206	4.4
143.03438	4.9
149.04506	4.3
161.04451	16.5
163.11224	2.5
165.12791	1.5
175.14799	7.2
179.05569	6.0
181.12320	2.7
191.14394	1.7
193.15904	39.0
203.05624	2.3
209.15421	2.0
217.15959	2.6
219.13928	1.9
237.14932	48.2
238.15233	1.3
239.16615	1.4
245.15645	2.6
255.16006	29.2
255.18408	2.1
277.17401	1.3
279.16132	2.7
297.17181	4.5
351.14441	2.8
393.71228	1.2
399.14932	2.6
399.20236	53.1
417.21307	28.0
417.26343	1.6
459.22385	52.8
460.22488	1.6
461.06891	1.4
658.03674	1.4
663.53101	1.5
732.78009	2.0
786.14349	1.4
904.47620	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
77.57057	0.7
81.03301	0.9
83.01231	2.1
85.97750	0.8
93.03308	3.5
95.01225	1.0
95.04878	0.9
97.02823	1.5
105.03281	0.9
107.04877	2.2
109.02813	6.9
111.04394	3.3
119.04896	1.3
121.02828	6.0
123.00755	3.3
124.01565	1.2
125.02315	92.2
125.06211	1.1
126.02648	1.6
131.04897	2.0
133.02815	3.1
135.04378	1.4
137.02321	22.1
138.03073	1.2
139.03899	9.2
147.00732	1.1
147.04416	1.1
148.01413	1.0
149.02333	8.4
149.05977	1.7
151.03899	10.9
157.33788	0.9
159.04338	1.2
161.02324	3.4
163.00262	3.2
163.03896	4.5
164.01024	5.5
165.01833	12.4
166.02541	1.9
167.03409	9.4
173.05978	1.3
175.00302	2.4
175.03935	17.4
176.01093	3.3
177.01846	100.0
177.05357	2.8
178.02347	1.8
179.03435	7.4
185.06091	1.0
187.03983	4.1
189.01881	3.6
189.05556	2.4
191.03386	5.5
193.04910	2.1
199.03940	9.0
201.01863	2.9
201.05524	2.0
203.03421	3.2
204.04337	1.1
205.01253	1.3
205.05006	1.1
211.04004	3.6
213.05426	1.2
214.02800	1.5
215.03444	3.4
217.01411	2.9
217.05006	14.9
219.02988	10.8
219.06471	4.8
221.04512	3.9
225.05479	1.5
227.03407	2.7
228.04204	1.0
229.05034	3.2
231.02972	2.4
241.04968	1.5
243.02974	40.5
253.05101	1.2
255.02983	19.0
256.03674	3.9
257.04401	2.1
259.06046	1.8
261.04065	18.8
261.07047	1.6
261.07843	1.3
267.02997	1.7
269.04562	3.7
271.06012	1.2
273.03998	2.9
281.04489	1.1
282.01892	2.0
283.02542	9.4
285.04019	4.7
287.05728	1.1
293.04572	2.0
295.02585	1.8
297.04001	5.3
299.05646	1.1
303.05099	21.5
305.06763	33.9
315.05093	2.8
333.04034	1.3
347.05853	1.2
353.59610	1.3
355.08313	1.5
357.06122	3.1
373.03534	1.6
374.04227	1.6
391.04712	3.2
397.05408	1.2
399.07471	1.6
403.04599	1.6
411.07159	1.7
421.05551	4.3
423.07257	32.1
423.12918	1.7
429.08368	5.3
439.06519	4.8
441.08307	10.2
463.06854	1.2
465.08310	2.6
473.08984	1.3
481.07803	4.0
483.09338	6.9
541.07721	13.5
559.08838	15.2
577.09662	4.3
601.10486	1.6
607.11157	3.5
609.12433	9.4
619.10693	1.9
664.85004	1.1
709.11725	1.2
727.13220	15.1
745.14490	4.3
758.61493	1.1
787.15057	2.0
839.48804	1.3
913.18176	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
77.57338	1.2
81.03342	1.5
82.79568	1.1
83.01244	2.5
91.73242	1.6
93.03326	2.0
95.01273	1.4
97.02830	1.4
107.04890	1.8
109.02768	5.6
111.04387	4.3
121.02808	4.9
123.00787	2.0
125.02313	96.9
126.02630	1.3
131.04906	2.0
133.02814	4.7
137.02327	17.9
139.03882	10.1
145.02780	1.3
147.04300	1.5
149.02332	7.5
149.05969	1.3
151.03922	13.8
155.51085	1.3
161.02382	4.1
163.00255	1.7
163.03905	4.6
164.01064	5.6
165.01833	12.4
166.02649	1.3
167.03384	8.1
173.02359	1.4
173.06061	2.0
174.03162	1.6
175.03918	21.2
175.05284	1.9
176.01099	2.2
176.04422	1.6
177.01851	100.0
178.02296	2.3
179.03452	7.5
187.03960	4.3
189.01883	4.3
191.03442	3.6
191.07118	1.7
193.04990	2.3
199.03851	7.4
201.01924	2.4
201.05597	2.5
203.03387	2.8
204.04347	1.8
205.01384	3.1
205.04944	1.7
211.03967	2.9
213.05554	1.7
214.02750	1.4
215.03500	4.1
217.01379	2.5
217.05043	12.5
219.03008	8.4
219.06566	4.7
221.04553	4.2
225.05644	1.7
227.03470	2.7
228.07822	1.3
229.05130	2.3
231.02962	2.8
232.73930	1.3
243.02966	50.3
255.02950	19.5
256.03711	4.3
257.04572	3.4
259.02539	1.5
259.06097	2.0
261.04031	21.7
261.07108	1.9
261.07779	1.8
267.03165	1.5
269.04584	4.9
273.04141	1.9
277.98029	1.1
281.04459	2.1
282.01694	2.3
283.02496	9.0
284.03378	1.4
285.04077	3.7
293.04492	4.3
295.02457	2.1
297.04041	4.8
303.05096	23.2
305.06757	38.6
311.05646	1.4
313.03564	1.3
315.05096	4.1
331.08368	2.2
347.05743	1.6
352.70459	1.4
355.07999	1.7
357.06363	1.7
373.03842	2.8
374.04099	2.3
375.05832	1.3
379.04736	1.5
391.04633	4.5
403.04419	1.9
409.06024	1.3
421.05554	5.5
423.07294	31.3
429.08081	6.4
439.06766	5.4
441.08328	11.3
481.07379	5.7
483.09201	8.4
515.09949	1.4
537.09387	1.5
541.07758	12.3
559.08978	13.9
577.09943	7.5
601.09839	2.6
607.11090	3.9
609.12335	10.3
619.11176	1.8
660.43225	1.4
727.13049	21.7
728.14081	1.4
745.14191	4.9
746.15668	1.5
787.15350	2.0
839.55444	1.6
913.18408	2.8
921.68359	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01765	0.7
70.63224	0.7
80.16772	0.7
83.01242	2.4
93.03292	2.6
95.01249	1.0
95.42135	0.8
107.04868	2.2
109.02814	8.5
111.04371	4.2
112.60267	0.8
121.02831	5.2
123.00771	1.5
123.04383	1.5
124.01519	1.4
125.02313	87.6
126.02632	1.7
130.04083	1.2
131.04912	2.3
133.02841	3.9
135.04398	1.1
137.02316	21.3
138.03111	1.7
139.03879	8.6
145.02852	0.9
147.04417	1.2
149.02342	7.8
149.05928	1.3
151.03886	11.1
159.04417	1.3
161.02321	2.0
163.00298	2.4
163.03914	4.0
164.00993	4.4
165.01854	10.4
166.02538	1.4
167.03398	10.6
173.05966	1.8
174.55116	0.8
175.00331	1.3
175.03920	19.2
176.01064	1.7
177.01843	100.0
178.02388	2.2
179.03459	6.2
187.03955	6.3
189.01855	2.8
189.05569	1.4
190.02789	1.1
191.03467	5.0
193.04951	2.8
199.03970	8.0
201.01813	1.3
201.05479	1.8
203.03441	3.3
204.04305	1.3
205.01408	1.7
205.05023	1.1
211.04013	2.5
213.05487	2.1
215.03421	2.2
217.01378	2.5
217.04987	12.9
219.02936	10.6
219.06512	6.0
221.04448	2.4
225.05530	1.6
227.03444	3.5
228.04247	1.4
229.05103	3.6
231.02956	3.7
231.06448	1.3
233.04605	2.1
239.03603	1.1
241.04997	1.9
243.02969	38.7
247.02325	0.9
253.05002	1.9
255.02948	21.0
256.03738	4.4
257.04538	3.1
259.06116	1.6
261.04047	18.8
261.07620	2.2
263.05423	1.1
267.02948	1.8
269.04575	4.6
273.04062	3.7
281.04510	1.9
282.01718	1.7
283.02469	10.1
285.04080	5.7
286.16748	1.1
293.04593	1.9
295.02435	1.5
297.03958	6.5
303.05103	21.1
305.06735	32.9
306.06943	1.8
315.05197	2.5
323.05646	1.3
329.04276	1.0
331.08405	1.0
333.66452	1.0
345.06683	1.0
347.05771	1.4
355.08197	2.4
357.06128	1.2
373.03510	1.4
374.04520	1.6
391.04672	3.0
397.09460	1.4
399.07050	1.9
421.05682	4.2
423.07220	36.1
424.07651	1.2
429.08344	8.8
435.07001	1.1
439.06604	5.5
441.08182	12.0
465.07889	1.1
481.07654	4.1
483.09283	7.7
515.09930	2.2
541.07794	16.1
559.08807	14.7
577.09894	7.9
591.11243	2.0
598.28766	1.1
601.09900	2.3
607.11218	2.6
609.12341	8.4
619.11133	1.5
709.12317	1.6
727.13135	15.1
745.13574	4.6
913.18451	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	913.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
66.89215	1.5
83.01258	1.9
83.04871	1.5
84.13753	1.7
89.59322	1.7
91.72827	2.1
93.03323	5.7
95.01257	2.1
97.02814	1.9
105.03303	2.1
107.04872	4.1
109.02820	8.9
111.04366	2.5
114.08025	1.7
121.02853	3.9
124.01540	3.1
125.02317	97.5
133.02843	5.3
137.02321	26.5
138.03058	2.3
139.03908	7.7
146.84996	2.0
149.02353	10.3
151.03902	17.3
159.04443	1.9
163.00259	3.8
163.03949	3.2
164.01025	6.8
165.01825	10.9
167.03452	14.0
175.03922	23.3
177.01846	100.0
177.05554	2.7
178.02255	4.3
179.03415	4.9
187.03969	5.6
189.01941	4.3
191.03423	5.8
193.04993	3.5
199.03918	7.8
203.03349	3.2
211.04057	2.8
217.01505	3.3
217.05026	11.1
219.02890	9.8
219.06467	4.2
221.04509	3.3
227.03519	3.2
229.05147	3.0
231.02948	3.2
243.02975	46.2
244.74580	2.4
251.03462	1.8
255.02994	19.7
256.03766	6.0
257.04565	4.7
261.04028	24.8
269.04611	5.8
273.03937	2.5
281.04694	2.3
282.01801	2.2
283.02551	6.1
285.04083	5.1
293.04541	2.9
297.04080	6.0
303.05063	26.9
305.06723	36.3
315.05133	2.5
347.05478	2.4
355.08731	2.9
373.03763	2.1
375.14282	2.7
379.04858	2.1
391.04672	6.3
421.05643	3.7
423.07272	37.5
429.08136	7.7
431.74567	2.0
439.06549	4.2
441.08295	9.2
481.07883	3.9
483.09436	8.1
541.07733	14.0
559.08838	14.3
577.09808	4.3
601.09979	2.3
607.10968	4.0
609.12457	11.3
619.11090	3.4
692.07849	2.5
727.12921	21.1
745.13977	4.2
913.18976	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	913.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
66.56359	1.4
67.65773	1.2
80.60925	1.2
83.01243	3.8
93.03317	2.6
109.02818	8.2
111.04397	2.5
121.02826	5.4
123.00787	1.7
125.02312	94.8
133.02805	3.9
135.04434	1.8
137.02313	21.6
138.03104	1.8
139.03879	7.4
142.86786	1.3
149.02350	8.3
149.05930	1.9
151.03897	14.5
161.06020	1.6
163.00284	4.6
163.03885	4.5
164.01054	5.4
165.01840	11.3
167.03378	10.5
173.05994	1.7
175.03883	18.2
176.01154	2.1
177.01845	100.0
177.05325	2.9
179.03429	6.0
187.03969	3.6
189.01906	2.5
191.03397	5.1
193.05011	1.9
199.03925	7.9
201.05502	2.2
202.23907	1.4
203.03442	3.9
205.01314	2.8
205.04921	2.5
209.11653	1.4
211.04002	1.9
215.03398	3.3
217.01523	2.4
217.05000	9.1
219.02953	10.2
219.06555	4.8
221.04518	3.8
223.90439	1.7
229.05019	4.8
231.02972	2.4
241.05067	1.5
243.02986	44.8
251.03709	1.7
255.02995	18.4
256.03778	5.8
257.04623	4.1
259.06042	2.8
261.04031	22.5
267.03006	2.0
269.04630	3.6
273.03879	1.8
283.02441	9.9
285.04086	5.0
293.04688	2.1
295.02615	1.9
297.04077	6.2
303.05072	24.1
304.05377	1.9
305.06744	33.0
315.05219	2.2
373.03452	4.5
374.04404	1.8
391.04550	3.2
421.05356	2.7
423.07227	38.7
429.08270	4.7
439.06357	2.9
441.08362	14.2
465.07883	1.8
481.07553	3.9
483.09442	9.9
541.08038	14.7
559.08917	12.7
577.09924	4.7
607.11218	3.9
609.12573	9.6
619.11249	3.4
727.13025	16.8
745.14374	7.0
763.35999	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	913.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00171	0.7
65.50705	0.4
67.23518	1.0
67.23829	0.5
71.18098	0.4
73.02791	0.4
83.01234	0.6
85.02807	0.5
87.00729	0.8
93.02747	0.8
93.03276	3.7
99.21130	0.9
99.21713	0.7
107.01225	1.9
107.04890	0.7
109.02845	0.5
113.02297	0.5
117.03318	2.0
119.04899	3.3
125.02366	0.8
131.04871	0.6
132.02039	1.6
135.00801	0.8
137.02309	0.9
143.04915	1.0
145.02840	7.7
145.06470	0.8
150.99149	0.6
151.00269	5.4
156.05728	1.0
157.06458	1.5
161.05965	0.9
163.00243	1.8
163.03918	2.6
164.00999	0.7
165.05347	0.5
169.01332	0.9
169.06418	0.5
171.04398	0.7
178.99768	1.2
183.04395	0.9
185.06000	1.7
187.03894	1.0
189.05405	0.5
197.06003	0.8
198.06876	0.6
211.03940	1.5
213.05530	1.6
213.09148	1.1
213.11124	0.4
227.03461	34.4
228.04018	1.1
229.05000	4.4
231.10287	0.8
239.03445	1.7
240.04164	0.5
241.05032	1.2
255.02975	67.2
255.87837	0.6
256.03720	5.2
257.04504	3.2
257.08139	0.6
281.04498	0.9
283.02515	5.1
284.03259	100.0
285.04041	35.4
286.04443	0.7
319.08209	15.1
329.13922	0.6
337.09204	1.6
413.08817	2.7
439.12701	0.6
447.16470	1.1
575.14191	0.8
593.15161	52.8
594.15894	0.7
739.18799	15.2
740.19360	0.7
913.24133	17.2
914.24780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.241
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00175	0.7
67.23553	0.7
67.23852	0.5
67.35133	0.5
71.13302	0.7
73.02798	0.8
80.02416	0.4
83.01225	1.4
85.02815	0.8
91.01746	0.5
93.03313	4.3
101.02306	0.8
107.01246	3.4
108.92819	0.4
109.02785	1.0
111.04358	0.7
111.75227	0.4
117.03323	5.5
117.05659	0.5
119.04894	6.1
121.02816	0.6
123.04436	0.6
125.02254	0.5
132.02069	0.9
135.00754	1.5
136.01570	0.5
143.04874	0.8
145.02838	34.8
151.00285	6.4
157.06494	1.1
159.04384	1.5
161.06023	1.6
163.00317	2.6
163.03920	6.2
164.01106	1.1
167.04858	0.5
169.01324	1.6
169.06444	1.5
171.04439	0.8
178.99765	1.5
183.04427	1.0
185.05975	2.4
187.03886	3.6
189.05518	0.9
195.04530	0.5
199.03938	1.2
201.05528	1.0
205.05064	0.7
211.03998	3.1
211.07498	0.5
212.04590	0.8
213.05556	1.9
215.07057	0.6
216.28938	0.5
227.03471	35.7
228.03979	0.9
229.05045	10.6
239.03471	2.4
240.04233	1.1
241.05084	1.6
243.02933	0.7
255.02989	73.1
256.03690	5.9
257.04572	7.3
267.02939	0.6
271.02597	0.8
281.04651	0.6
283.02530	3.2
284.03278	100.0
285.04056	83.7
286.04300	1.4
300.02704	1.0
301.03467	1.1
307.08246	2.2
317.02969	0.7
319.08264	0.9
337.09427	2.2
367.10205	1.3
413.08893	2.0
447.09256	1.9
453.14139	2.1
575.14093	0.8
593.15210	22.0
627.19330	5.9
739.18915	12.1
913.24139	48.9
914.24426	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	915.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
68.06310	0.3
79.95594	3.4
89.63975	0.4
89.76472	0.3
96.93513	1.2
96.95871	100.0
96.98518	0.8
114.65234	0.4
125.00252	0.4
146.45967	0.4
150.45036	0.5
151.03816	0.4
177.09204	0.4
192.04219	0.6
214.72826	0.4
226.21454	0.4
235.88811	0.4
593.16986	0.5
633.17145	1.2
651.17877	1.1
693.18787	3.3
703.51056	0.4
817.30450	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
65.58209	0.6
69.03289	0.7
81.03334	0.8
83.01237	2.0
83.50082	0.7
83.84452	0.6
84.15199	0.6
93.03313	2.2
95.01257	1.3
96.15750	0.6
96.95868	18.1
97.02796	1.1
99.04366	0.8
109.02822	5.1
113.00528	3.0
113.91162	0.7
115.08631	0.8
121.02821	2.8
123.00761	3.2
125.02318	50.1
136.01598	0.9
137.02327	30.5
138.03110	2.0
139.03912	1.6
141.00038	2.0
147.04477	0.8
149.02403	3.5
151.00278	1.5
151.03914	1.0
156.99547	2.4
164.01079	3.0
165.01849	15.6
167.03439	4.1
168.99574	6.8
173.06064	0.9
174.03171	1.1
175.03922	2.1
177.01854	44.9
179.03410	6.2
180.99571	16.2
183.11316	0.7
190.04395	0.7
192.99609	1.2
193.05037	1.2
195.06500	1.2
195.98561	0.9
196.99055	0.9
199.00726	4.1
200.14046	1.1
201.01909	0.8
203.03337	0.8
211.00729	1.4
217.05042	2.2
217.12364	1.1
219.03011	1.6
233.04562	1.7
235.06096	2.8
239.03548	0.9
241.04976	1.3
257.04703	1.1
259.06070	5.2
261.04184	1.5
268.20123	0.8
285.04089	2.6
293.05048	0.9
303.05151	5.8
305.06842	1.1
319.02771	3.0
337.03915	100.0
368.22949	1.5
550.31519	0.8
577.37494	7.6
611.36169	2.0
702.37500	0.9
729.29364	1.5
817.95844	1.2
915.41498	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
65.35184	0.9
74.01945	1.3
74.02331	14.7
82.02842	3.1
85.03935	4.4
86.02330	5.2
86.05991	1.2
86.98977	1.1
87.05489	10.2
88.88993	0.9
90.00024	1.2
96.47988	1.0
97.03946	9.9
98.02384	1.3
99.05502	11.8
100.00262	2.4
101.07071	2.0
102.00079	3.3
102.05493	2.1
104.97025	1.2
105.99551	6.4
107.06025	1.6
109.03951	2.7
111.46471	1.1
112.03887	2.2
113.03417	5.1
115.08645	8.0
116.01591	1.7
125.03468	1.4
125.07100	2.6
126.04211	1.5
127.05017	4.4
128.03407	56.4
129.10162	6.2
130.08664	1.8
135.05533	3.9
139.08658	3.1
140.07025	5.2
141.02950	1.7
141.06580	4.9
143.04506	57.4
145.06081	1.7
146.04486	4.6
151.05074	1.5
153.06595	8.3
153.10214	1.9
155.08147	4.3
155.11728	5.3
160.00645	12.8
165.10220	8.8
166.09789	3.2
167.04561	4.5
167.08182	6.7
169.06093	3.4
169.09787	1.3
171.07629	1.4
175.01714	9.0
177.03284	3.6
179.04570	14.9
181.09782	3.8
182.12900	6.9
183.11369	5.0
184.10837	4.5
191.79843	1.1
192.07767	2.3
193.13365	2.2
197.05614	3.8
197.16483	6.3
200.13953	13.0
203.04720	1.3
210.08775	12.4
210.16104	1.2
211.14490	3.1
223.14452	2.0
226.08263	2.0
226.11943	2.7
228.17133	2.7
252.20709	1.2
254.07877	11.2
254.15120	1.4
268.20416	8.0
272.08911	35.4
281.19861	11.9
286.05029	2.5
288.06638	4.3
299.20792	6.1
304.06110	66.7
305.06595	2.0
306.07666	100.0
307.08136	1.2
309.19403	1.5
313.22507	1.6
325.18823	6.5
325.22375	1.9
327.20395	1.8
338.04834	16.2
350.21933	2.6
367.27438	1.8
368.23050	31.2
376.34125	1.2
381.28775	2.2
407.26587	3.0
459.70911	1.3
490.33817	1.9
497.72171	1.2
577.37262	57.2
578.37201	1.9
609.34497	4.1
611.36035	40.9
612.36700	1.5
643.33160	1.7
916.42682	22.9
917.43396	1.2
951.34753	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
71.41717	2.2
74.02334	12.1
82.02821	4.4
85.03941	5.3
86.02336	7.5
86.05962	2.2
87.05495	8.7
96.95871	3.6
97.03913	12.8
97.52448	2.2
99.05490	11.3
100.00258	4.9
102.00049	7.2
104.98800	2.5
105.99550	10.8
109.03944	4.6
109.99166	2.2
112.65582	2.3
113.03442	6.0
115.08636	8.6
116.01603	3.5
125.07038	3.1
127.04964	2.4
128.03409	69.9
129.10204	5.7
135.05548	6.3
139.08708	4.9
140.07062	4.0
141.06593	5.4
143.04503	46.5
144.13466	2.3
146.04491	3.4
151.05048	2.8
153.06589	11.6
155.08202	3.7
155.11761	5.3
160.00629	13.3
165.10246	10.6
166.09688	2.8
167.08189	7.3
167.74609	2.4
169.06117	5.9
175.01746	12.8
179.04524	17.6
182.12943	7.1
183.11327	2.9
184.10883	6.9
197.05629	9.2
197.16495	5.4
200.13969	13.7
210.08730	13.2
211.14536	3.1
217.65605	2.6
226.08382	3.7
226.12054	4.1
228.17189	5.2
254.07918	9.0
268.20340	9.4
272.08881	30.2
273.06287	2.4
281.19775	16.5
286.05103	5.0
288.06540	3.1
297.19318	3.1
299.20911	8.3
304.06107	100.0
306.07666	56.5
325.19049	5.1
327.20566	2.6
338.04797	6.6
368.23138	33.7
381.28543	4.1
401.41135	2.5
577.37170	55.0
580.78925	3.1
609.34985	7.7
611.35852	29.6
661.04327	2.7
916.42731	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.236
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00186	1.1
67.58843	0.4
67.59272	0.3
69.03870	0.4
71.24232	0.9
71.24569	0.4
72.93275	0.4
83.01253	0.9
83.53554	0.4
91.72768	0.8
107.01241	3.1
108.02034	1.1
116.66610	0.4
119.04906	0.9
121.02808	1.5
122.26683	0.4
123.71208	0.4
125.02307	0.5
135.00797	0.7
145.02821	0.8
148.01520	1.0
151.00258	10.2
152.58363	0.4
160.53058	0.4
163.00275	1.0
163.03925	0.9
164.01093	0.6
169.01379	1.0
178.99786	6.2
187.03912	0.7
190.99519	0.5
192.00591	0.6
199.03938	1.2
203.03510	0.6
211.03983	0.6
215.03406	1.1
216.04233	0.7
226.02692	2.1
227.03404	3.6
243.02950	13.5
245.04599	0.6
254.02208	1.9
255.02991	27.5
256.03394	0.8
271.02499	63.6
272.03168	2.0
283.02536	0.7
299.01999	8.5
300.02762	100.0
301.03513	13.3
306.07687	0.7
333.93222	0.4
355.04865	0.5
458.06992	0.4
461.65372	0.4
518.00488	0.5
542.57513	0.4
591.13464	0.9
609.14679	9.5
755.18329	31.9
756.18201	0.8
771.20532	0.5
917.23651	29.2
918.24237	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2361
Annotation	Quercetin 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Peak:m/z	Relative Intensity
65.00176	0.6
67.50166	0.3
71.12543	0.7
71.12891	0.5
71.24239	0.4
74.87954	0.4
75.88763	0.4
83.01250	0.5
90.78879	0.4
90.81991	0.3
107.01256	1.9
107.85661	0.4
112.64529	0.6
112.65154	0.5
119.04878	0.7
143.04567	0.6
145.02806	1.2
148.01572	0.4
150.40314	0.4
151.00247	8.6
158.07277	0.4
161.05911	0.4
163.00244	0.5
163.03889	0.9
169.01227	0.5
171.04410	0.7
175.00330	0.7
175.03906	0.8
178.99759	4.2
183.04411	0.8
187.03876	0.4
197.02191	0.4
198.03021	0.4
199.03893	3.4
201.01932	0.9
203.03456	0.5
211.04012	0.6
214.02773	0.4
215.03433	2.4
226.02666	1.0
227.03467	4.3
239.87935	0.4
242.02084	0.5
243.02951	6.9
244.03641	0.7
254.02213	1.6
255.02974	9.8
271.02487	76.1
272.02994	2.2
282.01538	0.5
299.01965	100.0
300.02744	51.5
301.03503	15.8
304.12280	0.4
306.07697	1.4
429.08438	0.6
462.08066	16.4
463.08243	0.8
485.11868	0.4
591.13879	1.0
591.87500	0.4
609.14575	15.8
755.18341	49.8
756.18768	1.6
771.19714	15.1
785.63837	0.5
917.23596	17.6
918.23926	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
64.14622	0.2
65.00185	0.3
67.11560	0.2
71.12555	0.4
71.12860	0.2
78.66860	0.2
83.01228	0.3
83.97515	0.2
85.41491	0.2
104.33597	0.2
107.01243	0.8
109.02808	0.3
121.02830	0.3
121.16043	0.2
121.16756	0.2
129.32547	0.2
133.02827	0.5
134.64384	0.2
147.00761	0.3
149.02354	0.3
151.00250	3.8
155.12854	0.2
169.01242	0.4
171.04413	0.6
175.00336	0.6
175.03886	0.6
178.99767	1.6
183.04321	0.3
187.03918	0.4
197.02289	0.3
199.03925	3.1
201.01776	1.0
203.03517	0.2
211.03923	0.3
214.02650	0.3
215.03442	1.6
219.78442	0.2
225.01875	0.2
226.02689	0.6
227.03455	3.2
234.46919	0.2
235.97816	0.2
242.02191	0.6
243.02956	4.7
254.02252	0.6
255.02995	4.4
271.02490	59.1
271.14447	0.5
272.02985	1.0
282.01718	0.5
299.01971	100.0
299.15952	0.8
300.02734	24.4
301.03519	6.7
301.06876	0.2
310.30658	0.2
313.03564	0.4
342.03647	0.2
343.04453	0.4
346.72684	0.2
433.98651	0.2
449.37332	0.2
461.07632	0.2
462.08078	15.9
463.08798	0.6
489.10373	0.3
596.20892	0.2
755.20435	20.4
756.19891	0.5
775.67035	0.2
821.05176	0.2
917.25757	31.9
918.26294	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
72.92624	0.4
75.03403	0.3
76.96805	0.3
78.95731	0.3
116.39359	0.3
137.16534	0.3
162.06828	0.9
164.87085	0.3
175.02457	0.4
243.49945	0.4
253.15927	1.2
255.17511	0.4
267.17520	0.5
269.19125	5.6
271.20749	4.2
276.35214	0.3
297.18634	9.5
315.19675	4.8
325.55457	0.3
333.20737	9.3
347.19235	0.3
357.20737	1.0
375.21786	100.0
376.22122	3.5
419.20767	8.4
589.81537	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03809	1.4
69.03301	0.9
70.19791	0.2
71.01250	1.9
75.02250	0.8
77.21091	0.2
78.95757	0.3
81.03319	3.0
83.01241	0.5
83.04877	11.3
92.02449	0.2
93.01013	1.1
93.03314	77.1
95.01236	0.3
96.02033	0.5
100.18252	0.2
103.23413	0.2
106.34669	0.3
109.02812	1.4
111.01363	0.4
111.04378	36.9
115.00155	0.3
128.57143	0.2
136.98105	0.5
137.02321	37.7
138.02629	0.3
141.24266	0.2
145.01282	0.4
147.92381	0.2
152.99464	0.3
153.17668	0.2
154.98438	1.1
155.03389	100.0
156.03696	0.4
213.21437	0.2
249.18588	2.4
277.21747	0.9
305.18317	0.2
361.27722	0.4
377.19824	0.5
381.23044	0.2
405.22250	1.6
464.34390	0.2
537.49170	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	921.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
66.68000	2.9
75.05396	2.2
78.25025	2.3
83.01296	2.4
89.16121	2.6
93.03265	3.4
95.13921	2.3
109.02838	15.1
121.02825	4.3
123.04398	6.2
124.01557	3.4
125.02316	100.0
125.56621	2.4
133.02884	3.3
137.02336	32.9
137.26688	2.9
139.03923	11.3
149.02325	5.9
151.03912	11.0
156.16640	3.6
161.02344	11.4
163.03940	3.6
164.01083	4.8
165.01846	19.3
167.03409	10.8
175.03906	13.6
177.01859	56.6
177.05537	3.0
179.03424	10.5
187.03903	7.2
201.05502	3.6
203.07057	7.2
205.01456	3.6
205.05045	7.8
219.06691	5.7
221.04416	3.5
227.03581	3.3
229.05130	4.0
243.03014	5.6
245.04576	3.9
245.08284	9.2
255.02919	18.9
256.03787	6.1
269.04565	5.2
273.04095	5.6
283.02496	10.2
285.04062	6.0
287.05554	4.3
289.07199	29.6
297.04144	7.3
303.05023	6.7
305.06702	34.7
339.08685	3.7
353.86267	3.8
399.71906	3.9
407.07727	43.1
423.07275	49.1
425.08859	55.0
441.08176	15.2
451.28522	3.4
467.09503	18.7
575.12573	4.2
593.13074	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01237	32.9
71.21182	0.7
71.21970	0.5
72.99160	0.8
73.02802	1.0
76.17051	0.6
80.33410	0.5
85.02789	2.8
87.00721	1.9
89.02296	58.0
95.01221	0.7
101.02302	7.5
113.02299	13.4
113.03079	0.6
115.06857	0.7
119.03362	3.9
121.02811	1.2
122.03561	0.8
125.02316	1.5
131.03354	2.4
143.03391	3.6
149.04445	1.6
150.03096	0.9
161.04459	5.0
165.05438	1.0
167.03482	1.2
175.32344	0.9
177.01822	0.7
179.05527	29.4
180.04192	7.9
195.06566	13.5
253.22729	1.3
256.39655	0.8
266.34015	0.7
353.05615	0.7
381.96225	0.7
537.19788	100.0
538.20111	2.9
598.47046	0.7
605.11609	1.0
699.24878	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	921.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03310	0.9
71.01238	31.2
73.02803	5.2
83.01240	3.7
85.02798	19.6
87.00735	3.6
89.02297	18.4
95.01233	3.7
97.02797	1.8
99.00732	13.4
101.02299	25.7
106.37913	0.9
109.02831	1.3
113.02301	25.3
119.03368	7.3
122.03606	2.4
125.02311	3.4
137.02327	2.8
139.64781	1.0
143.03369	6.2
146.03584	7.9
155.03397	1.2
159.02869	2.1
161.04474	22.4
161.05956	2.8
164.04697	7.6
165.05467	1.3
175.03914	1.1
176.04718	2.9
177.01859	1.6
179.05511	4.6
179.07065	10.7
180.04219	4.1
191.07088	5.7
192.04254	1.0
195.06554	5.3
203.05591	1.2
207.06577	1.6
209.08168	7.2
221.06679	3.0
250.30681	0.9
323.09842	100.0
342.91629	1.0
375.14551	4.6
383.13443	2.9
421.40268	0.9
519.17151	16.8
537.20038	1.3
669.23804	7.5
699.13135	1.4
699.25140	23.2
861.30127	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
81.57911	0.3
82.82791	0.3
86.83521	0.4
89.33523	0.4
91.92000	0.3
94.26011	0.7
94.26619	0.6
96.25967	0.3
100.34963	0.3
100.43834	0.3
103.11012	0.2
107.01304	0.4
125.02318	0.6
143.04932	0.3
151.00252	1.6
163.00278	0.5
171.04396	0.5
178.99812	0.4
199.03993	2.2
201.01826	0.7
211.03967	0.3
215.03421	1.7
227.03499	3.4
242.02197	5.0
243.02974	29.9
244.03424	0.7
245.38036	0.4
255.02962	3.3
257.04550	8.7
270.01703	8.1
270.89380	0.3
271.02505	32.5
272.02988	1.0
284.03168	0.8
285.04065	17.2
286.04810	4.7
287.05475	0.8
299.01968	13.8
300.00189	0.3
300.02753	9.7
314.04349	50.0
315.05112	25.2
317.76428	0.3
342.13159	0.4
344.05185	0.3
357.06024	0.5
431.09827	0.7
461.10947	100.0
462.11172	2.2
491.12439	0.8
556.01923	0.3
763.90161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	1.6
71.01239	27.3
71.02896	0.5
72.99162	0.6
73.01274	0.9
73.02804	63.1
73.04556	0.9
75.00728	0.9
77.30311	0.2
77.95165	0.2
78.33553	0.2
81.03307	1.1
82.99362	0.2
83.01238	16.5
83.03311	0.2
83.04897	0.3
84.01566	0.3
84.02017	0.3
85.02804	3.4
87.00730	1.2
89.02298	8.5
89.02843	0.5
95.01246	1.0
97.02818	0.9
99.00742	0.9
99.04380	0.7
100.99831	0.7
101.02302	57.8
101.05096	0.6
102.02630	0.2
109.06483	0.5
113.02308	16.8
115.03880	1.0
119.03368	6.4
125.02299	2.2
131.03368	6.1
143.03387	6.9
147.02876	0.3
149.04437	13.1
154.16876	0.3
155.03371	1.6
161.04445	21.9
165.12726	0.4
167.05344	0.3
173.04500	0.2
175.14836	0.3
179.05540	0.7
185.17503	0.2
191.05455	0.3
193.14346	0.3
193.15929	3.8
203.05586	2.9
211.14871	0.2
211.16960	0.4
221.06618	11.0
233.83904	0.6
237.14882	4.3
237.17046	0.3
237.64365	0.2
251.17989	0.4
253.16011	1.3
253.19548	0.4
255.15819	1.8
267.17551	0.7
269.19125	6.3
271.20682	4.2
286.01526	0.3
297.18597	10.5
302.04785	0.3
315.19705	5.3
326.74567	0.2
333.20721	10.8
334.20932	0.3
357.20676	0.9
375.21786	100.0
376.22183	2.9
399.20316	2.0
407.23416	0.3
417.21213	1.6
419.20767	8.5
420.20837	0.3
436.41769	0.4
459.22363	12.3
460.22574	0.5
620.21173	0.3
756.43884	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01244	13.5
73.02798	2.4
85.02795	3.9
87.00744	4.1
89.02316	12.4
99.00778	1.9
101.02301	9.2
113.02293	7.3
119.03397	3.1
125.02352	6.4
143.03447	1.6
149.09641	1.9
161.04492	1.5
167.10719	13.1
177.09213	1.5
179.05582	3.2
195.10208	2.3
218.46234	1.8
235.08182	3.7
247.16975	7.4
265.18106	100.0
277.21741	52.1
281.80627	1.8
379.12665	4.2
397.13547	47.0
415.14758	11.5
663.32770	2.6
842.72327	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	925.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00171	0.9
71.45386	0.1
80.18524	0.1
81.79870	0.2
83.01229	0.6
85.52402	0.2
90.65643	0.3
90.82415	0.2
90.82880	0.2
91.01740	0.2
93.03328	0.2
96.27161	0.2
98.57195	0.2
107.01241	2.9
108.02003	1.0
108.09734	0.2
109.02812	1.7
111.54543	0.2
112.00279	0.2
112.08768	0.1
119.01280	0.3
120.02003	0.2
121.02820	2.2
124.01418	0.2
125.02306	0.2
135.00740	0.6
139.03854	0.2
148.01506	0.9
149.02309	0.6
151.00252	12.9
153.01889	0.2
159.04362	0.5
161.02321	0.3
163.00275	3.5
163.04103	0.2
164.01076	0.8
169.01373	1.0
169.02667	0.2
170.55974	0.2
171.04367	0.3
173.02199	0.2
175.03932	0.2
178.99771	6.3
179.01350	0.3
183.04446	0.4
185.02437	0.2
187.03888	0.5
190.99805	0.5
192.00566	0.3
193.40385	0.2
198.03018	0.2
199.03914	0.9
201.01758	0.2
201.05597	0.8
203.03435	0.4
211.04013	1.3
213.01830	0.2
214.02667	0.2
215.03505	0.7
216.04213	0.3
226.02646	1.0
227.03450	2.6
228.04196	0.2
229.05032	0.9
238.34973	0.2
239.03543	0.5
242.02174	0.7
243.02966	10.0
244.03659	0.3
245.04559	2.1
254.02193	1.7
254.91931	0.3
255.02969	21.5
256.03571	0.5
257.04596	1.0
259.02448	0.2
266.02060	0.2
270.01691	0.9
271.02490	44.4
272.03177	1.5
273.04080	1.5
283.02460	2.0
285.04053	1.7
286.04636	0.4
287.01910	0.4
299.02017	2.1
300.02753	74.8
301.03528	51.3
302.03937	0.8
314.00760	0.3
314.04349	4.6
315.01465	0.9
315.05023	0.9
316.02167	0.5
330.03839	1.1
331.04645	0.9
335.64655	0.2
343.04614	0.3
447.09338	100.0
448.09586	1.6
477.10413	9.0
490.23505	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.335
Annotation	Unknow
Peak:m/z	Relative Intensity
65.10372	2.0
65.66502	2.0
69.03316	6.5
71.00877	3.7
71.01241	48.3
71.04874	20.5
72.99171	12.2
73.02802	73.2
75.00742	2.3
81.03316	9.3
83.01239	21.2
83.04878	3.8
85.02795	16.1
86.55087	2.2
87.00723	6.8
89.02293	26.9
93.03299	2.7
95.01237	3.9
95.04884	2.7
97.02803	14.7
97.06449	4.3
99.00758	3.1
99.04390	5.8
101.02299	68.9
113.02308	57.7
115.03878	99.2
119.03352	14.4
121.10153	3.4
125.02312	38.1
126.03141	3.4
131.03366	3.9
135.08044	4.0
137.09573	6.0
141.01828	4.1
143.03358	10.3
149.04422	8.2
161.04442	26.2
173.13295	4.8
179.05553	9.0
179.10672	2.9
189.12726	2.5
191.14340	52.4
199.53275	2.4
203.05534	3.4
235.13351	53.2
253.14444	27.8
277.14508	4.7
295.15366	5.1
349.12860	5.7
367.13977	68.4
388.47519	2.3
395.13293	7.5
397.18674	100.0
415.19812	33.4
423.13031	16.2
457.20737	90.4
692.16693	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	927.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00196	0.6
71.44350	0.3
72.99156	1.5
83.01270	0.3
88.37893	0.2
93.06953	0.5
95.08543	0.3
97.12254	0.2
102.43479	0.3
107.01257	1.2
108.73808	0.3
108.84837	0.2
108.94230	0.3
108.94839	0.3
111.74126	0.3
111.74731	0.3
121.10027	0.3
124.01542	0.9
125.02327	0.6
135.00740	0.4
136.01497	0.4
137.02321	0.8
139.03902	0.3
151.00247	7.0
152.00998	0.7
155.10652	0.5
159.04388	0.3
163.00206	1.9
164.01047	0.6
169.01289	0.4
171.04494	0.4
177.63863	0.2
178.99773	5.3
183.10176	13.9
187.03940	1.0
193.01512	0.2
199.03978	1.5
201.01854	0.5
201.11244	23.7
202.11656	0.4
203.03419	2.9
203.65250	0.3
204.04208	0.3
214.02631	2.2
215.03400	2.9
217.01431	0.5
219.02986	0.3
227.03455	0.9
231.02911	3.2
232.03798	0.3
241.01387	0.4
242.02179	2.7
243.02983	5.7
243.12360	18.6
244.03540	0.5
251.08299	0.2
258.01724	0.5
259.02457	11.3
260.02939	0.5
269.00726	0.4
270.01721	4.3
270.89856	0.3
271.02478	26.5
272.02972	0.8
285.04099	0.9
286.01215	1.6
287.01971	28.7
288.02625	1.3
298.01080	0.4
301.03400	1.7
302.04108	0.5
303.05200	0.3
313.03778	0.3
315.01480	42.1
316.02237	44.7
317.02939	5.6
318.03119	0.4
329.02789	0.6
330.03824	54.9
331.04590	27.3
332.04953	0.4
463.08862	28.1
464.09283	1.6
639.15710	100.0
640.15906	3.3
809.27893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.5682
Annotation	Unknow
Peak:m/z	Relative Intensity
69.98489	0.2
71.70612	0.2
78.94057	0.7
78.95758	44.9
78.97729	0.6
84.15133	0.2
85.00001	0.2
96.34621	0.2
96.96819	5.5
100.27894	0.2
105.84959	0.3
106.78354	0.2
117.03316	0.5
119.04893	0.8
121.02798	0.3
132.36066	0.2
145.02806	1.9
150.97897	1.8
152.94856	1.1
152.99469	100.0
153.04794	0.9
153.99895	0.3
163.03976	0.3
171.00529	3.9
279.23343	1.4
415.24924	4.1
433.23602	40.3
434.23984	0.6
512.87842	0.2
929.28900	0.5
929.46088	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	929.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00182	1.2
65.50780	0.5
66.67423	0.5
71.01232	1.9
71.24246	0.7
74.52487	0.6
75.13157	0.6
83.01239	1.5
85.02835	1.1
89.02302	0.6
93.03312	3.6
99.04362	0.7
101.02329	1.1
105.41724	0.6
107.01249	5.1
108.02029	0.8
109.02814	1.3
113.02268	1.2
114.27442	0.8
115.03899	1.7
117.03333	2.2
119.04881	3.6
121.02806	3.4
121.99248	0.8
122.00033	0.8
133.06525	1.1
137.02260	0.7
145.02837	16.5
148.01567	0.8
151.00264	20.0
161.05972	1.5
163.00232	2.1
163.03903	4.4
164.01067	2.1
169.01326	1.8
172.45909	0.7
173.04416	0.9
178.99770	13.2
187.03888	0.8
187.07671	0.8
199.03934	1.2
201.01891	0.8
205.05020	1.4
211.03871	1.7
215.03374	0.9
216.04233	1.0
226.02690	1.9
227.03427	3.3
229.01378	0.9
229.04993	0.9
243.02971	11.5
245.04565	1.2
254.02173	2.2
255.02988	28.7
257.04391	1.1
271.02505	58.3
271.15378	1.0
272.03116	1.9
273.04034	1.3
283.02454	1.6
299.01978	5.7
300.02765	100.0
301.03540	34.9
307.08163	2.3
337.09360	4.1
379.10297	1.3
429.08331	1.0
433.20734	4.1
593.15314	0.9
609.14667	16.9
627.19366	2.6
653.01257	0.8
755.18628	3.9
806.76239	0.8
855.22626	0.9
894.29260	0.9
911.23785	1.0
929.23645	64.6
930.24158	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	929.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91640	0.5
81.89452	0.5
81.97530	0.5
83.04869	0.7
86.83351	0.5
87.00761	2.9
93.03304	9.6
95.04831	0.6
97.02771	0.6
99.21110	1.0
99.21729	1.2
107.01225	1.1
107.90625	0.6
119.04906	3.0
130.04121	1.2
131.04929	1.6
132.02077	0.7
133.02734	0.7
135.00768	0.7
143.04874	1.4
145.02837	0.5
145.06450	2.6
151.00261	2.9
155.04948	0.5
159.04378	0.8
159.08003	2.6
163.00267	1.5
171.04370	0.8
173.06023	1.7
178.99773	1.3
183.04323	0.6
185.05960	0.8
187.03922	0.9
187.07594	1.6
190.10391	0.6
192.48770	0.7
197.06265	0.6
203.07053	2.1
209.06303	0.6
211.03976	1.2
211.07581	2.2
213.05527	0.9
217.05034	6.2
227.03459	27.0
229.05025	2.2
229.08685	6.1
231.06514	0.9
239.03514	0.6
255.02979	54.9
256.03723	4.4
257.04510	1.2
271.02423	1.2
283.02505	2.3
284.03271	85.7
285.04065	17.4
291.08725	6.5
300.02762	2.3
335.07791	6.1
413.08728	1.3
477.10086	0.6
593.15179	100.0
594.15466	1.6
739.19165	4.8
755.18811	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
72.15229	0.6
107.04888	3.7
119.04897	2.6
121.02840	0.8
137.62735	0.8
142.54501	0.7
187.34296	0.8
194.97456	1.1
206.97435	0.9
245.19101	19.6
247.20650	13.0
319.13663	4.3
337.14709	3.8
363.12784	6.0
393.85898	0.7
409.18457	1.8
411.16409	0.9
439.19083	1.2
442.47812	0.7
454.17957	1.3
496.22919	1.2
549.33990	17.1
565.34985	1.1
567.35132	40.1
568.35431	1.4
581.32477	1.6
593.33057	18.6
636.31879	1.2
637.32031	100.0
795.02197	0.9
914.10480	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5629
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50655	0.2
86.45982	0.2
93.03320	0.2
96.95860	0.2
103.92694	0.2
115.00255	0.2
117.03323	20.8
117.06759	0.3
118.04120	2.8
119.01678	0.3
119.04891	22.6
121.02818	7.0
123.04387	2.2
133.02840	1.6
134.03612	0.6
140.07088	0.2
144.73782	0.2
144.98625	0.5
145.02831	48.9
145.07680	0.5
146.03165	0.4
147.04381	0.2
147.40590	0.2
162.03113	2.7
163.03902	12.0
167.24133	0.2
199.11316	0.2
242.75404	0.4
244.27766	0.2
248.81995	0.2
277.21820	0.2
281.19818	0.3
368.23032	0.4
415.24921	100.0
416.25363	1.5
577.37537	0.6
603.98022	0.2
611.36005	1.2
658.30859	0.2
866.82697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5639
Annotation	Unknow
Peak:m/z	Relative Intensity
74.99773	0.1
87.73737	0.2
88.49057	0.1
89.03825	0.1
93.03289	0.4
107.07825	0.1
116.99867	0.2
117.03326	21.0
118.04126	3.1
119.04891	25.5
121.02818	6.6
123.04367	2.1
133.02827	1.6
134.03603	0.7
136.92764	0.1
137.98241	0.1
144.97951	0.5
145.02834	52.5
146.03143	0.2
147.04398	0.2
162.03119	3.3
162.98212	0.2
163.03905	13.0
181.12245	0.1
225.74472	0.1
242.75195	0.2
260.30341	0.1
277.21689	0.2
371.25739	0.4
386.63510	0.1
415.24924	100.0
416.25269	1.8
424.77029	0.1
551.58997	0.2
640.22058	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	930.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
84.55244	1.5
84.92396	1.5
85.03923	4.9
87.05493	7.3
96.95844	2.0
97.03873	2.2
113.03427	7.7
115.08654	10.2
125.03426	10.9
127.04981	7.8
128.03406	30.1
129.10197	7.0
130.08633	2.1
139.08672	3.1
140.07056	6.3
140.10696	2.5
141.06584	3.9
153.10228	2.8
155.08131	7.4
155.11794	7.5
157.06116	4.9
165.10234	10.6
167.08167	5.8
169.06157	2.1
169.09698	2.3
177.28569	1.9
181.09760	3.3
182.12860	9.6
183.11305	5.2
184.10904	8.3
197.16417	8.1
200.13980	16.6
207.14983	3.6
211.14468	6.3
223.14534	2.2
226.11914	3.3
228.17131	3.5
242.18741	2.1
252.20683	2.4
268.20224	9.7
281.19830	16.4
286.10364	8.6
295.21213	2.4
299.20828	9.0
300.06589	2.2
309.19391	2.8
313.22324	3.0
318.07605	14.8
320.09201	21.5
325.18820	7.5
325.22290	2.0
350.21927	5.3
352.06363	3.2
367.27258	3.3
368.23035	51.7
381.28836	4.8
407.26572	5.0
410.27567	3.7
533.07690	2.4
533.37885	2.7
577.37244	100.0
609.34619	9.5
611.36011	87.2
647.49884	2.1
930.44464	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	931.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
67.23550	0.6
67.23884	0.6
83.01205	0.5
83.96935	0.4
85.02804	6.0
87.00714	1.4
93.03307	2.9
94.66035	0.4
101.21512	0.4
107.01214	1.7
107.46766	0.5
108.24815	0.7
109.02803	0.6
111.04362	0.9
117.03332	2.0
119.04883	1.3
119.13482	0.5
127.03840	2.2
132.02020	0.7
135.00725	1.2
145.02821	6.1
151.00233	3.4
152.01088	0.5
161.05957	0.6
163.00279	1.5
163.03911	1.3
164.00981	0.7
167.04939	0.6
169.01314	0.8
169.06505	0.5
173.04401	1.0
178.99767	1.2
183.04413	0.8
187.03915	1.0
191.05531	54.2
211.03894	2.2
213.05576	0.8
227.03447	29.2
228.03899	1.1
229.05019	2.3
239.03459	1.2
241.05081	0.5
255.02968	65.1
256.03693	7.4
257.04520	2.0
275.55200	0.6
281.04498	0.6
283.02515	4.0
284.03262	100.0
285.04037	24.6
286.04245	0.6
318.38885	0.5
365.82687	0.5
385.14291	0.6
413.08679	2.0
414.09595	0.5
593.15137	22.5
739.18860	92.0
740.19092	4.5
741.19513	1.3
790.50311	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00178	0.5
67.17060	0.3
67.23529	0.7
67.23865	0.6
72.12379	0.3
83.01243	0.5
85.02809	3.2
87.00719	0.8
93.03297	1.2
107.01258	1.5
108.24245	0.3
108.24894	0.4
109.02795	0.6
111.00748	0.3
120.17848	0.3
127.03864	1.2
130.34955	0.3
132.02086	0.7
135.00729	0.5
151.00255	2.9
152.01056	0.6
159.04408	0.5
163.00240	0.4
171.02907	0.4
178.99765	1.3
183.04417	0.6
185.05997	0.6
187.03912	0.4
191.05536	30.9
199.03992	0.4
206.14622	0.4
211.03941	1.3
213.05565	0.6
216.24583	0.4
227.03459	29.4
227.13046	0.4
228.03969	0.6
229.05075	1.1
239.03368	0.7
241.05057	0.3
255.02979	60.5
256.03714	4.4
257.04453	1.4
281.04834	0.4
283.02643	2.0
284.03271	100.0
284.16507	0.8
285.04041	13.3
309.04187	0.6
327.05075	0.9
393.06195	0.5
575.14044	1.0
739.20996	41.2
740.21100	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00196	0.4
65.77892	0.2
83.01239	0.7
85.02806	0.2
101.92765	0.2
107.01242	1.5
113.44749	0.2
113.45406	0.3
116.90878	0.2
116.91547	0.3
125.02312	1.5
135.00754	0.2
145.02823	0.5
148.01564	0.2
149.02328	0.3
150.99113	0.3
151.00266	5.3
152.01062	0.6
153.01805	0.5
155.04884	0.2
159.04474	0.3
163.00270	0.6
164.01054	0.3
167.04865	0.3
169.01340	0.6
169.02731	0.2
171.04382	0.5
174.68524	0.2
175.00305	0.2
177.01814	0.4
178.99774	2.0
183.04454	1.2
185.02396	0.3
185.04881	0.2
186.03111	0.3
187.03946	0.4
189.01909	0.2
198.03197	0.5
199.03964	3.1
201.01871	0.7
203.03404	0.3
211.04010	0.7
213.01903	0.3
214.02673	1.6
215.03394	1.2
217.04984	0.2
225.01704	0.3
226.02676	0.6
227.03441	4.8
229.01329	0.2
241.01390	1.7
241.05016	0.3
242.02184	11.7
243.02971	16.8
244.03699	0.2
245.00958	1.4
254.02223	0.5
255.02986	7.0
256.03656	0.4
257.04581	2.9
259.06244	0.3
269.98676	0.4
270.01718	17.5
271.02502	24.9
272.03156	0.6
282.01654	0.4
283.02475	0.3
284.03241	0.5
285.04065	11.0
286.04767	1.9
287.05618	0.7
298.01184	4.0
298.04584	0.2
299.01978	49.7
299.15610	0.5
300.02768	7.4
300.06287	0.3
303.05161	2.1
311.05582	0.3
312.02841	0.3
313.03561	32.4
314.04343	58.9
314.18985	0.6
315.05096	12.4
324.02914	0.2
327.05270	0.3
339.05176	0.5
341.03033	0.3
356.05511	0.8
357.06070	0.9
381.06662	0.2
385.51541	0.2
461.07355	1.1
465.10150	0.9
476.09769	2.2
605.15375	0.7
623.16351	0.2
769.22052	100.0
770.21857	1.1
811.23206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77178	0.4
71.01238	1.4
72.99187	0.5
73.02808	0.4
77.87923	0.7
77.88347	0.6
79.85966	0.6
89.02326	2.7
89.02776	0.5
96.95876	0.5
109.02836	0.5
110.70770	0.5
119.03371	0.8
119.66389	0.4
123.04376	0.7
125.02277	0.6
127.68398	0.4
145.02777	0.7
147.04419	0.6
153.01805	1.0
167.03473	0.8
177.43904	0.5
179.05519	1.8
180.05725	0.6
181.06491	1.4
197.06026	2.0
208.05336	1.0
209.06067	2.1
224.04834	0.7
225.05539	11.6
236.04759	0.8
237.05537	3.7
238.06271	1.4
239.07063	0.5
241.05055	1.6
251.07039	0.8
253.05077	12.9
256.07385	1.7
268.07465	4.0
269.04587	9.1
271.06091	0.8
280.03754	0.8
281.04535	3.9
282.05310	1.5
283.06137	1.5
283.09763	2.6
284.06894	3.0
295.06088	2.2
296.06915	9.5
297.04083	33.1
297.07642	2.3
311.05573	4.3
312.06424	26.0
327.08762	100.0
328.09067	1.9
349.09024	0.7
387.82343	0.6
423.12985	8.5
481.55139	0.5
507.15082	1.0
659.16296	0.8
812.11627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
66.21033	2.7
69.03313	3.6
71.01244	24.6
72.99155	4.8
73.02803	13.7
81.03323	7.8
83.01238	7.0
83.04868	4.6
85.02802	100.0
87.00724	28.8
89.02306	3.0
93.03308	6.0
94.35480	3.2
95.01230	23.0
97.02822	10.1
99.00740	5.9
99.04336	5.9
101.02307	13.9
103.03880	4.2
109.02831	12.7
109.88338	2.6
111.00761	11.1
113.02310	49.4
115.00250	20.4
119.14948	3.1
123.00747	3.0
125.02316	7.7
127.03895	37.2
129.01765	7.8
134.64503	3.1
137.02365	3.8
139.00247	19.3
145.04955	9.4
155.03371	10.3
157.01317	24.5
173.04527	6.6
189.32619	3.4
191.05573	7.7
199.02448	25.3
217.03528	38.5
254.55948	3.5
259.04620	16.4
280.55267	3.2
345.08194	36.8
363.09326	25.1
385.60776	3.6
387.09308	6.1
405.10709	4.1
423.11435	13.3
509.14688	15.3
527.16180	40.5
665.15521	6.8
751.18982	4.4
769.20636	6.8
829.22882	12.3
915.26385	24.2
926.06360	4.0
933.27563	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01232	1.0
72.99140	0.5
73.02793	0.3
75.98269	0.3
78.93694	0.8
78.95759	100.0
78.97553	1.8
85.02802	1.5
87.00729	0.8
91.29392	0.3
95.01232	0.4
96.96818	15.1
100.03898	3.8
101.02304	1.1
101.28070	0.4
113.02311	1.4
119.03324	0.4
121.66779	0.3
156.86639	1.4
159.81746	0.4
186.98016	0.4
190.06435	0.4
223.00084	1.3
241.01158	22.7
259.02252	4.3
283.02267	1.3
293.08832	0.4
301.03427	0.6
355.04279	1.3
373.05209	0.4
376.22632	3.3
394.23633	3.4
407.00430	0.4
449.82315	0.4
556.28851	9.5
598.30206	3.3
638.13440	6.1
670.31836	2.1
710.62506	0.5
714.31488	1.0
718.22827	0.4
935.40100	50.5
936.40021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5974
Annotation	Unknow
Peak:m/z	Relative Intensity
67.13436	0.3
81.29462	0.3
83.08306	0.3
83.84028	0.3
85.44149	0.3
87.36913	0.4
93.03238	0.4
94.77354	0.4
95.50896	0.4
97.08116	0.3
98.29133	0.4
100.68581	0.3
111.10932	0.3
111.86626	0.4
115.00202	0.4
117.03329	15.3
118.04170	1.8
119.01623	0.4
119.04891	22.3
120.05252	0.8
121.02827	6.6
123.04394	1.7
133.02815	1.6
134.03636	0.8
135.22484	0.4
145.02837	41.0
146.03148	1.2
146.64232	0.4
152.99481	0.5
162.03101	2.8
163.03909	10.6
174.66251	0.4
175.02342	0.6
180.66939	0.4
333.86694	0.5
415.24756	2.9
416.25293	4.8
417.26483	100.0
418.26715	0.6
548.52405	0.6
658.82520	0.4
860.79504	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5972
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95760	0.3
81.36513	0.2
86.84348	0.2
87.79175	0.2
88.12885	0.2
93.03326	0.4
94.94152	0.2
95.59479	0.2
105.08655	0.2
111.56869	0.2
116.99985	0.3
117.03326	20.0
118.04162	3.0
119.01550	0.3
119.04890	26.9
120.05257	0.6
121.02817	7.2
123.04379	1.9
127.39175	0.2
127.64984	0.2
133.02808	2.0
134.03595	0.8
144.98236	0.6
145.02832	44.3
145.06664	0.5
146.03166	1.5
147.67294	0.2
152.99504	0.3
162.03131	2.8
163.03905	12.1
164.04256	0.3
216.14001	0.2
245.46910	0.3
254.42416	0.2
279.23251	0.9
415.24841	3.0
416.25287	4.4
417.26471	100.0
418.26654	1.5
504.31277	0.6
548.52618	0.3
742.90234	0.2
851.26044	0.2
860.80518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01267	0.8
78.95762	100.0
78.97626	1.7
85.02827	1.2
87.00716	1.7
91.72744	1.6
96.96243	1.2
96.96825	14.8
100.03899	3.9
101.02288	1.0
104.92192	0.9
109.57846	0.9
113.02349	1.9
126.25321	0.9
156.72789	1.5
179.03304	1.0
180.04143	1.6
195.06584	2.0
223.00182	1.4
223.02472	0.9
241.01147	24.2
259.02264	5.5
283.02130	1.2
319.06827	1.0
378.24130	5.0
396.25235	2.2
462.92435	1.1
558.30493	10.0
600.31415	5.2
638.13519	6.7
672.34601	1.5
756.53589	1.3
773.70410	1.1
937.41736	56.0
938.41913	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	938.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
68.90607	0.6
71.76716	0.6
72.00755	2.5
82.02836	0.7
87.05476	0.9
96.89803	0.6
98.26006	0.6
100.03909	1.4
101.51730	0.7
107.04244	0.6
109.03900	0.8
115.08648	1.1
124.00764	0.6
125.03420	1.2
127.04983	2.3
128.03407	15.6
128.04308	1.4
142.04849	0.6
143.04553	0.9
150.01624	16.7
152.03175	1.4
153.06537	1.9
160.00627	2.2
166.04770	1.3
167.04280	41.3
168.02710	2.4
171.07631	1.2
175.02396	0.9
175.04800	4.1
177.02823	0.8
179.04501	2.4
181.05865	12.0
182.12987	0.6
182.79193	0.7
191.04414	0.8
193.05858	23.8
197.05635	1.2
197.16539	0.8
199.01552	1.5
200.14116	0.9
207.01964	1.5
207.03809	14.6
212.01857	1.0
219.03821	6.1
221.05443	7.7
225.03204	4.7
236.06494	45.4
238.08075	8.1
248.06534	4.3
250.08096	5.1
253.02614	2.8
268.20410	0.8
281.19742	0.9
294.07077	12.0
303.58099	0.7
308.03235	1.0
313.95294	0.8
325.18759	0.8
326.04297	100.0
327.04520	1.0
328.05856	46.0
360.03021	2.9
368.22955	1.3
537.15125	0.7
578.14978	0.8
740.42316	0.7
938.40967	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	939.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
68.24684	0.2
68.27589	0.2
70.34003	0.2
72.99168	3.7
81.11835	0.2
87.00728	1.7
91.05382	3.0
93.03312	0.4
106.04107	1.1
107.04889	8.9
108.02032	0.8
115.05396	0.8
117.03316	1.1
119.04938	0.4
121.02822	1.1
131.04910	0.8
133.06471	5.3
134.03578	0.3
135.04376	1.6
147.04398	0.4
149.05966	24.4
151.03903	0.4
159.04407	0.3
163.00261	0.6
163.03897	2.5
168.30402	0.3
177.05478	17.8
179.03407	25.1
193.04997	0.3
195.06552	2.5
206.99324	1.0
221.04553	0.7
238.95387	0.8
239.05586	100.0
240.05943	0.4
255.44803	0.3
334.67377	0.3
375.14487	0.3
379.91113	0.3
394.83313	0.3
467.94360	0.3
548.44684	0.3
657.68890	0.3
860.25989	0.3
942.68298	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
66.40378	0.1
68.34582	0.2
71.01238	6.1
74.17970	0.1
95.66743	0.2
106.25666	0.2
106.48271	0.2
125.02322	0.2
127.07489	0.5
148.05173	0.8
151.07547	0.4
162.73891	0.2
164.08319	1.0
177.09103	3.7
190.09909	0.4
192.11487	7.3
193.12335	0.5
198.13873	0.2
205.12286	2.8
207.13878	0.5
217.08633	0.5
218.09464	2.2
220.14641	40.7
221.06017	0.8
221.15422	100.0
222.15712	0.7
235.13416	0.7
236.00156	0.7
236.10507	81.3
237.11104	1.3
249.18449	0.5
250.94221	0.2
293.17603	54.4
294.17862	0.7
344.21436	0.2
388.05591	0.2
397.13507	0.6
453.25552	0.2
514.86749	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	945.5337
Annotation	Unknow
Peak:m/z	Relative Intensity
67.17833	0.2
73.75333	0.2
76.38371	0.2
78.94041	0.6
78.95759	47.0
78.97734	0.6
96.96817	5.6
104.06674	0.2
105.60539	0.4
119.04884	0.2
133.02858	1.1
134.03625	1.0
135.04396	2.6
137.02338	0.3
145.02849	0.6
150.97891	1.9
152.94780	1.0
152.99472	100.0
153.04848	0.9
154.93207	0.2
161.02342	2.0
171.00525	3.9
178.02469	0.3
179.03485	1.1
227.90520	0.2
269.88031	0.2
277.21902	1.2
407.65082	0.3
431.21851	38.3
432.22031	1.1
542.87384	0.3
778.99249	0.3
935.65399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.246
Annotation	Unknow
Peak:m/z	Relative Intensity
71.24231	0.8
83.01249	0.6
94.92948	0.4
102.01683	0.5
107.01264	1.5
108.02014	1.0
112.87765	1.0
112.88573	1.0
121.02812	1.0
142.20602	0.4
143.62219	0.4
145.02797	0.8
148.01544	0.9
151.00256	7.3
163.00270	0.5
164.01070	0.6
169.01329	0.6
173.17734	0.4
178.99786	5.7
191.05504	0.9
199.04025	0.6
199.99301	0.5
211.03889	0.7
215.03497	0.7
226.02728	1.4
227.03442	1.8
243.02954	9.2
254.02068	2.2
255.02983	23.3
262.82376	0.6
271.02496	53.0
272.03174	2.7
299.02014	3.1
300.02759	100.0
301.03537	10.8
355.04495	0.7
429.08444	0.7
591.13385	0.6
609.14648	21.9
731.15021	0.6
755.18359	79.6
756.18677	1.7
897.63300	0.6
936.86963	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
67.26606	0.4
71.24241	0.4
71.24603	0.4
77.91858	0.3
91.98092	0.4
105.99065	0.5
105.99701	0.5
107.01239	1.0
108.02048	0.8
111.00749	1.2
112.87861	0.9
112.88685	0.9
127.75327	0.4
148.01567	1.2
151.00273	3.4
163.00334	0.5
164.01077	0.4
174.09979	0.4
178.99738	2.6
191.01863	1.0
191.05475	0.5
210.57159	0.4
215.03462	0.5
226.02657	1.0
227.03490	1.3
243.02969	8.2
254.02235	1.5
255.02988	19.6
271.02496	42.8
272.03229	2.0
299.02112	2.5
300.02762	91.3
301.03436	5.3
365.11887	0.4
755.20490	100.0
756.20911	2.2
757.21240	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02337	4.4
75.07971	2.5
75.47810	2.1
85.03927	6.1
87.05483	4.6
91.73329	3.1
93.32267	3.0
97.03925	5.0
113.03448	4.6
115.08642	4.2
121.34982	3.1
128.03427	20.5
129.10274	3.2
143.04503	21.2
145.92703	3.0
155.08202	5.5
160.00688	2.7
165.10266	5.8
167.08168	5.5
179.04552	7.1
182.12889	4.5
183.11311	5.0
184.10809	5.6
197.16684	3.8
200.13977	9.0
210.08972	2.8
216.39392	3.1
228.17322	3.2
254.07890	5.9
268.20309	7.3
272.08859	32.0
281.19897	6.4
287.62927	3.9
299.20984	6.0
304.06146	25.5
306.07538	3.3
338.04807	15.0
368.23145	29.3
577.37274	100.0
609.34692	9.6
948.39508	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	949.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
70.90270	0.3
71.38370	0.7
71.38680	0.5
72.34371	0.4
72.99172	2.6
85.59522	0.4
99.08004	0.5
101.05934	1.0
106.04084	0.5
107.04899	1.1
109.06451	3.8
119.08572	0.9
121.02821	5.1
135.04366	0.6
135.11690	1.0
136.05153	1.0
152.03288	0.4
163.00354	0.5
163.11186	100.0
164.11577	1.3
165.12762	4.1
171.04585	0.4
175.11205	1.3
193.12274	8.2
199.03952	0.8
207.10243	1.1
209.11935	0.7
219.10274	0.6
227.03459	0.8
237.11287	3.4
242.02138	0.7
243.02924	5.8
245.27725	0.4
251.09235	8.1
255.02971	3.9
257.04608	1.4
263.63422	0.5
270.01834	0.8
271.02475	10.8
272.03412	0.9
285.03937	2.2
286.04703	0.6
299.02005	10.1
300.02786	9.7
314.04340	14.9
315.05139	27.2
325.09290	12.0
623.16241	58.3
624.16766	1.5
683.80493	1.4
712.19281	0.5
769.19391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.5528
Annotation	Unknow
Peak:m/z	Relative Intensity
78.93935	0.8
78.95763	60.6
79.79520	0.6
91.72839	0.8
96.96816	5.2
101.94498	0.7
103.22322	0.6
125.22804	0.7
133.02885	1.1
134.03551	1.0
135.04395	3.1
137.02286	1.2
145.02817	1.4
150.97890	1.8
152.94620	1.3
152.99477	100.0
155.20178	0.7
161.02310	3.2
171.00555	3.2
179.03391	1.0
246.20152	0.7
252.78984	0.7
277.21664	1.4
431.21896	57.8
450.66129	0.9
935.66992	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80582	0.2
71.94981	0.2
78.93935	0.8
78.95762	44.4
78.97833	0.5
96.96826	6.1
105.60547	0.3
117.29956	0.2
119.04895	0.4
127.06223	0.3
130.84682	0.3
133.02847	0.4
134.03607	0.3
135.04356	1.5
145.02817	0.8
149.24786	0.3
150.97876	2.0
152.94589	1.2
152.99477	100.0
153.99878	0.3
161.02350	1.8
163.03889	0.5
163.48570	0.2
171.00555	4.2
179.03415	1.0
205.24307	0.3
205.82904	0.2
277.21750	1.2
344.85104	0.3
431.21902	41.5
432.22318	0.6
669.96472	0.3
935.66107	0.6
935.82794	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.234
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97091	0.3
71.12546	0.7
74.63091	0.3
107.01255	0.9
108.02052	0.4
109.02789	0.5
121.16055	0.4
121.16814	0.7
129.32492	0.4
133.02812	0.4
136.61884	0.4
138.04086	0.3
146.42014	0.3
147.00754	0.5
151.00252	3.9
169.01219	0.4
175.00246	0.4
175.03912	0.5
178.99797	1.9
187.03873	0.4
190.16132	0.3
191.03453	0.3
191.45839	0.3
199.03906	2.6
201.01802	0.6
215.03462	1.5
226.02670	0.4
227.03432	2.4
229.61504	0.3
243.02933	3.6
254.02209	0.8
255.02942	4.1
271.02487	56.4
272.03000	1.0
299.01968	100.0
300.02728	27.8
301.03479	7.2
302.04230	0.4
313.03546	0.4
325.03137	0.4
342.03894	0.5
343.04782	0.6
365.52203	0.4
411.11246	0.4
462.08063	22.5
463.08905	0.5
650.06165	0.3
748.16479	0.3
755.20551	14.0
917.25763	56.1
918.27051	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	957.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
67.20190	0.3
71.24238	0.4
86.99672	0.6
87.35638	0.4
91.72765	0.5
92.09568	0.6
92.10114	0.7
97.65955	0.3
107.01244	2.1
108.02030	1.2
109.02807	0.9
121.02815	1.4
133.04033	0.3
135.00729	0.6
147.74101	0.3
148.01540	1.0
151.00255	10.1
151.01498	0.5
152.00980	0.4
163.00275	3.0
164.01042	0.8
169.01350	0.9
178.99779	5.3
183.04448	0.3
187.03918	0.5
192.00446	0.3
193.01247	0.5
199.03955	0.8
201.01846	0.4
203.03439	1.6
211.03909	0.7
214.02730	0.5
215.03442	1.2
226.02670	1.1
227.03416	2.0
227.17613	0.3
229.04961	0.4
230.02058	0.4
231.02965	1.4
241.01453	0.5
242.02191	0.7
243.02969	10.0
244.09935	0.4
245.04518	1.0
254.02214	2.0
255.02983	19.9
256.03503	0.5
257.00906	1.3
258.01550	0.9
259.02524	4.7
270.01645	1.1
271.02499	52.8
272.03210	1.8
273.04041	1.1
283.02533	1.1
285.00415	0.6
285.03824	0.4
286.01041	1.3
287.01987	9.4
288.53601	0.4
299.02042	1.1
300.02762	83.8
301.03537	36.9
302.03918	1.4
315.01505	16.4
316.02222	3.1
329.02951	1.5
330.03818	25.3
331.04593	8.6
343.04572	0.4
461.07428	0.4
463.08871	100.0
464.09149	1.5
491.08524	1.7
492.08817	1.9
493.09879	35.7
937.33160	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.383
Annotation	Unknow
Peak:m/z	Relative Intensity
74.10994	1.3
74.60650	1.7
78.93893	1.7
78.95760	100.0
81.07203	1.6
87.72990	1.6
90.10431	1.5
96.58054	1.5
96.95880	2.2
96.96809	9.9
113.02287	3.0
125.02331	2.4
136.96065	2.2
151.03944	2.2
164.26111	1.7
179.08923	1.7
241.01170	20.0
279.71255	1.7
308.80878	1.9
355.16397	2.3
376.22305	2.7
384.19241	4.3
394.23706	2.2
416.21753	6.8
556.29376	9.6
598.30292	3.9
692.29877	8.8
715.12500	2.0
736.29517	6.4
756.50452	2.2
766.85010	1.9
775.72272	2.3
957.38300	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5591
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03332	1.2
70.77332	0.8
71.01238	11.2
73.02810	2.7
76.13055	0.9
80.96475	0.8
81.03339	1.0
83.01248	1.2
85.02821	2.7
87.00744	3.1
87.26257	0.8
89.02298	11.4
97.02824	2.7
101.02293	11.0
109.06474	1.2
111.08021	12.6
113.02308	5.1
119.03352	4.2
123.29723	1.0
125.02323	3.6
137.51947	0.9
143.03345	2.3
161.04480	3.0
169.12259	4.2
175.02322	1.0
179.05528	2.2
181.12309	1.8
197.11765	54.6
199.13379	1.9
211.13371	7.1
235.08206	5.1
251.20166	41.3
252.20447	1.2
253.09280	1.6
263.20251	3.1
287.07791	2.4
291.19699	12.5
305.08810	2.0
309.20728	100.0
397.13531	62.8
415.14590	22.6
450.03870	1.2
516.71466	1.1
561.71686	1.3
649.33752	4.4
780.40417	1.0
970.74908	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
71.90388	0.8
85.02805	2.9
91.72752	1.0
98.04997	0.8
113.45387	1.1
117.63776	0.7
127.03835	1.2
143.03517	0.9
151.00278	2.6
178.99779	1.5
191.05528	40.9
199.03954	1.9
215.03436	1.0
227.03462	2.0
230.40532	0.8
242.02199	2.1
243.02974	10.1
255.02982	4.4
257.04675	1.8
270.01706	1.2
271.02487	14.6
285.04181	4.0
286.04800	1.1
299.01974	34.4
300.02734	3.7
311.52417	0.8
313.03665	1.5
314.04337	48.8
315.05032	8.3
470.44183	1.0
769.22021	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
74.90541	0.3
79.27436	0.3
84.54136	1.3
84.54691	0.6
93.03332	0.5
108.02029	15.7
109.03929	0.3
121.02817	18.2
122.03606	7.7
123.04390	1.0
128.44240	0.3
134.03621	2.2
135.04379	1.3
152.01039	2.2
156.68886	0.4
159.48746	0.6
160.22409	0.4
169.73184	0.4
232.14659	0.7
246.16241	1.0
260.17926	0.8
274.19571	0.7
316.20325	0.9
316.24066	18.4
317.24857	97.6
318.25116	2.0
349.23611	2.3
361.23871	100.0
362.24380	2.7
450.08429	0.5
529.22577	1.1
630.76355	0.5
872.25952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5642
Annotation	Unknow
Peak:m/z	Relative Intensity
70.99648	0.8
71.01236	22.4
72.99188	0.8
73.02800	4.4
81.03327	1.1
82.28342	1.1
83.01247	2.5
85.02802	5.5
87.00724	5.6
89.02292	26.3
89.02840	1.7
91.03844	1.0
91.72763	1.1
95.01270	1.2
97.02806	3.7
99.00723	2.2
101.02301	21.7
107.34757	0.7
111.04366	0.8
113.02305	10.7
118.26080	0.7
119.03366	7.3
121.02798	1.2
125.02312	10.6
131.03345	1.2
133.04944	1.3
139.03891	1.0
143.03389	3.1
149.04521	0.9
150.10419	1.2
161.04445	5.8
165.12766	8.6
179.05515	4.8
185.04539	1.0
209.28398	0.9
219.17470	1.5
221.06610	2.8
222.89949	0.8
235.08182	9.3
245.06493	0.8
247.17017	13.3
247.20650	5.9
253.09332	2.7
263.07700	1.3
273.18613	3.4
274.07071	0.8
277.21732	65.6
278.22128	1.0
287.07791	3.1
291.12994	1.6
291.16095	16.8
291.19681	35.4
292.19647	0.9
305.08771	3.4
321.22147	0.9
323.09866	1.2
397.13531	100.0
398.13565	1.4
415.14597	34.5
465.34332	0.9
508.57394	0.9
655.53027	0.9
675.35901	4.6
949.23492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
76.18036	1.4
82.16289	1.5
91.72783	2.3
93.03307	1.8
96.95853	1.8
103.21643	1.5
108.02039	2.8
109.02802	2.6
121.02815	2.8
124.01514	8.4
132.02043	2.6
135.04457	2.4
136.01587	3.5
137.02328	8.5
139.03894	5.7
145.02878	2.0
148.01564	7.6
149.02338	7.3
150.03131	17.8
151.00252	2.7
151.03876	19.1
152.01041	27.0
153.01830	2.9
154.41258	1.8
160.01561	6.2
161.02348	5.3
161.84929	1.8
162.03122	36.6
163.03909	7.4
165.05472	10.3
166.02594	3.7
166.05548	1.6
167.03421	42.7
175.00305	1.9
175.03935	3.8
176.01068	19.3
177.01834	10.9
177.05440	7.5
178.01215	2.8
178.02634	32.6
179.03413	9.7
180.04198	83.7
190.02638	4.3
191.03409	15.4
193.05006	33.0
195.06560	100.0
205.05080	4.3
207.06630	1.8
209.04514	6.8
219.06554	2.5
255.06680	2.0
258.08777	1.9
313.07285	2.0
325.10962	1.9
342.07458	2.6
357.09781	5.2
359.11319	5.0
361.61420	1.8
374.10062	5.2
385.09503	3.3
387.10919	96.0
388.11591	3.8
389.12494	40.4
535.19708	3.0
536.13269	2.6
549.14258	3.2
551.15729	17.1
553.17297	2.6
561.21289	4.8
579.14789	3.9
579.22528	10.8
581.16797	23.8
583.18274	67.1
597.22687	2.5
615.70642	2.1
745.21466	6.7
777.24420	2.1
889.62128	2.0
971.36206	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	975.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99673	2.1
69.03316	7.7
71.01244	22.7
71.04878	1.4
72.99168	7.8
73.02803	12.2
75.00714	0.8
81.03318	19.3
83.01244	7.2
83.04878	11.7
85.02808	100.0
85.04856	1.8
86.76517	0.7
87.00728	5.7
89.02298	10.1
91.73279	0.8
93.03317	27.3
95.01244	72.7
95.03661	1.1
95.04868	2.1
96.95844	0.7
97.02805	8.1
99.00730	5.9
99.04377	18.4
101.02310	13.4
103.03872	8.6
107.04887	1.8
108.02058	4.8
109.02815	39.9
111.00745	27.6
111.04391	6.5
113.02312	46.5
115.00230	1.9
119.03360	2.6
121.02801	3.9
123.00770	1.3
123.04382	5.0
124.01452	0.8
125.02303	7.3
127.03882	69.3
127.07604	1.3
128.91455	0.7
129.01799	1.4
131.03365	1.7
135.04404	2.1
136.01527	1.2
137.02318	15.3
139.00253	46.9
139.03798	3.6
141.01820	1.4
141.05463	4.1
143.03429	1.3
145.04955	23.9
149.02328	4.2
151.03922	2.6
152.01141	0.8
153.01808	6.0
155.03395	23.4
157.01288	4.4
163.05997	4.2
165.01918	0.7
167.03407	3.8
169.04977	9.4
171.02916	8.7
173.04480	1.2
179.03444	2.5
181.01335	6.0
181.05026	2.4
191.05476	4.8
193.01344	1.4
198.05754	0.9
199.02415	88.6
213.04041	2.7
215.05585	1.9
217.03496	3.3
223.02588	0.9
223.06140	1.7
235.04532	0.8
241.03439	3.4
241.07230	2.9
253.03535	1.9
257.06799	3.2
259.04636	1.7
259.08249	1.7
267.05209	1.4
277.05774	1.9
285.06223	6.9
301.05603	4.9
303.07175	1.6
319.06573	1.4
327.07281	2.0
337.11386	1.6
345.08289	28.4
363.09631	4.0
387.09369	58.4
392.79288	0.8
405.10413	43.1
423.11487	4.1
465.12454	17.7
489.89728	1.0
501.12512	1.2
527.16321	1.1
531.13678	0.9
551.16223	30.6
569.17273	45.9
570.17987	1.1
587.12701	1.8
647.15259	2.7
665.19598	1.2
689.19611	1.2
707.18512	2.6
708.66132	1.1
733.18604	2.5
751.19104	1.5
769.20789	3.9
793.20673	2.7
811.21375	6.7
829.22845	1.7
854.60046	0.9
871.23627	15.2
915.25928	3.0
933.27100	3.3
957.27325	32.8
975.28473	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99692	1.6
69.03313	6.7
70.03461	1.9
70.70942	1.6
71.01239	19.6
71.08549	1.7
72.99165	7.8
73.02817	11.9
73.41053	1.8
75.23202	1.9
75.72451	1.7
78.58079	1.9
81.03317	18.0
83.01250	6.6
83.04881	13.5
85.02805	100.0
87.00745	4.2
89.02294	10.9
92.11407	2.2
93.03320	21.0
93.98243	2.5
95.01241	63.0
95.04962	1.9
97.02817	6.9
99.00744	5.4
99.04372	17.9
101.02296	12.1
103.03860	7.3
108.02042	2.4
109.02815	37.2
111.00738	27.3
111.04382	4.9
112.49445	2.2
113.02306	45.1
123.04418	6.4
125.02329	6.2
127.03872	70.0
129.01834	2.7
137.02330	11.8
139.00252	51.3
139.03877	4.9
141.05443	3.0
145.04945	26.8
148.77722	2.4
149.02344	3.8
151.03897	4.4
152.06261	2.0
153.01799	5.6
155.03398	27.0
157.01474	2.0
167.03412	3.2
169.05013	8.9
171.02907	7.1
174.01167	2.2
181.01363	5.6
181.04903	2.4
191.05569	5.8
199.02403	91.6
217.03412	3.5
220.88568	2.2
241.03529	3.2
277.05692	3.8
285.06204	5.5
288.54932	2.2
301.05591	5.8
337.11456	2.9
339.55054	2.8
341.32928	2.4
345.08289	23.2
387.09375	57.7
405.10382	42.6
423.11530	5.6
465.12524	12.8
521.65973	2.4
551.16162	31.9
569.17249	49.1
575.97382	2.4
647.15051	4.5
756.58685	2.7
769.20435	6.1
783.76440	2.9
793.20984	3.0
811.21301	7.3
841.06433	2.8
871.23932	19.5
957.27344	49.0
975.28174	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
73.29342	1.0
94.00333	1.1
96.06046	1.3
111.98196	1.2
114.77551	1.3
117.03287	1.3
121.02801	3.2
123.00771	1.2
123.04373	1.2
129.42410	1.1
130.24409	1.2
134.03607	3.2
135.04419	2.6
136.01553	6.7
137.02315	3.7
145.02817	5.7
145.67889	1.8
146.03627	3.2
147.04428	2.3
149.05984	1.9
150.03104	6.1
151.03859	6.6
159.04399	3.2
160.05188	2.2
161.02315	6.2
161.06061	2.0
162.03107	8.9
165.05447	3.0
172.05167	2.5
173.05873	1.8
177.05524	3.7
179.03462	1.4
189.05525	6.1
190.06248	2.1
193.04948	1.6
195.06575	3.5
214.06235	1.6
255.06563	2.1
268.07214	1.5
293.08212	2.5
375.50684	1.8
469.16745	1.7
510.50934	1.6
515.20178	1.6
563.19159	2.1
663.25946	4.5
681.26672	3.2
741.29083	13.0
801.31342	100.0
802.31445	2.5
829.32294	2.2
841.33234	2.4
889.35187	8.3
901.34180	6.8
919.35345	2.5
949.37067	10.8
961.36884	7.3
979.38116	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	979.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
68.33849	1.3
68.96474	1.0
91.82969	1.0
95.13758	1.2
96.95894	1.4
108.79101	1.2
109.02816	2.1
111.77064	1.3
117.03319	2.7
121.02841	2.5
122.03603	1.6
123.04382	2.3
134.03609	3.9
134.67940	1.1
135.04308	1.5
136.01585	7.3
137.02371	4.2
145.02837	6.7
146.03606	2.6
147.04402	2.5
149.02374	2.3
150.03102	7.0
151.03905	4.4
151.55006	1.2
159.04369	3.1
160.05254	3.1
161.02374	8.3
161.06024	3.0
162.03105	10.0
163.03821	1.4
165.05487	4.2
172.05150	2.0
173.05983	1.8
177.05495	3.3
180.04189	1.5
189.05478	4.1
190.06317	2.9
191.07045	1.8
195.06537	4.8
227.03571	1.2
239.43059	1.6
242.05865	1.5
257.08084	1.7
274.79465	1.2
295.09897	1.9
304.09308	1.3
309.07776	1.5
396.72949	1.4
416.12970	1.6
475.18094	1.5
497.16284	1.4
535.05408	1.4
535.19788	2.3
651.26147	2.8
663.26038	5.0
681.27118	5.5
711.27264	1.8
741.29156	10.8
801.31317	100.0
802.31641	3.1
841.32593	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01229	7.5
72.67593	1.3
73.02794	5.3
78.92049	1.2
81.73363	1.2
83.04880	2.6
85.02803	4.1
89.02299	6.3
91.16978	1.4
99.00629	1.4
101.02309	8.1
109.02830	2.0
113.02306	5.1
119.03372	2.5
125.02315	1.6
137.02345	3.4
138.03120	2.9
148.05168	11.8
149.02205	1.6
149.05971	1.9
150.03122	1.4
151.03911	11.7
153.09114	2.3
156.16194	1.4
157.93338	1.6
161.05989	1.7
162.03163	2.4
163.07561	2.2
163.55310	1.4
180.04199	1.9
199.07637	3.5
206.37320	1.4
213.09331	1.3
214.09926	4.2
219.06447	1.6
230.09387	1.5
231.10159	2.4
231.13884	2.8
260.14352	1.4
271.17038	22.4
273.18628	1.9
277.14423	11.7
279.16022	5.8
289.18109	72.0
290.18597	2.3
305.14081	2.6
307.19266	2.2
315.16068	13.6
333.17169	9.3
356.39957	1.9
367.13913	3.9
368.14047	1.7
441.21066	2.5
445.93134	1.7
451.23355	26.2
453.86719	1.6
469.24442	2.8
483.18494	2.3
484.19092	3.0
495.22360	100.0
496.22839	2.5
513.23309	15.9
539.21497	4.8
557.22430	58.4
877.82550	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	986.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02848	0.6
72.00759	0.5
74.01952	0.6
74.02333	8.8
81.04409	0.4
82.02847	1.4
86.02319	3.4
86.05952	0.5
86.98972	0.8
87.05487	2.1
90.00047	0.9
96.95824	0.5
97.03909	1.2
99.05502	9.6
101.07046	1.3
102.05466	1.6
104.18911	0.6
109.03922	1.9
111.05457	0.6
112.03882	0.9
116.01620	0.7
119.67471	0.5
120.01134	0.6
123.05504	1.1
124.03930	0.7
125.03413	0.9
127.04998	2.0
128.03407	26.7
131.04561	0.5
135.05524	3.7
137.07138	0.6
141.06604	2.6
143.04507	36.8
145.06062	1.5
146.04491	4.1
149.06999	0.5
153.06592	3.0
153.43253	0.5
160.00635	11.6
166.09741	1.8
167.04532	3.5
167.08141	1.9
177.03302	4.3
179.04521	8.7
181.06076	1.5
184.10873	0.5
185.05637	1.0
192.07787	1.1
194.39676	0.4
197.05620	1.4
210.08783	7.2
219.53354	0.5
228.09952	0.8
242.07761	1.2
254.07811	9.4
272.08893	17.9
288.06628	5.8
306.07663	100.0
307.08005	0.6
557.07159	0.6
880.43188	0.6
986.49158	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	986.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02335	9.0
80.53926	0.6
82.02824	1.4
86.02338	3.4
86.05949	0.9
86.98956	1.0
87.05489	1.8
90.00044	0.9
97.03944	0.6
99.05500	10.0
101.07051	1.7
102.05438	1.1
107.05969	0.7
109.03947	1.1
109.07542	1.0
112.03901	1.8
113.13860	0.6
116.01643	1.1
124.03915	1.0
125.03479	0.9
127.04971	2.1
128.03409	28.2
135.05539	2.7
141.06584	3.3
143.04504	38.1
145.06122	1.2
146.04465	2.9
153.06532	3.6
160.00633	10.1
166.09882	1.1
167.04538	3.1
167.08188	1.8
177.03282	3.1
179.04527	9.3
185.05591	1.4
192.07651	1.4
197.05621	1.5
201.38120	0.7
210.08774	9.0
224.38921	0.6
243.84001	0.7
254.07771	9.7
272.08893	18.8
288.06668	7.3
306.07660	100.0
351.73190	0.6
380.73938	0.7
638.62274	0.7
679.64380	0.8
986.48755	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	987.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
74.41163	20.2
74.94053	25.7
75.00741	22.3
91.73372	27.2
106.79266	21.5
108.47015	20.1
141.53773	21.0
203.33812	26.2
204.11995	24.4
277.21808	29.2
293.21216	100.0
294.29300	23.1
397.13535	61.1
528.44244	28.3
649.79816	33.1
673.35425	33.8
987.54968	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
80.04939	0.6
81.03290	2.2
83.01225	3.3
93.03320	1.5
95.04879	2.5
97.02814	6.5
108.02032	3.1
109.02814	25.5
121.02828	3.6
122.03572	1.9
123.04392	18.2
125.01451	1.4
125.02316	17.2
135.04369	2.0
137.02315	11.1
138.03172	1.1
139.03870	3.1
145.02832	1.1
146.03641	1.6
148.77861	0.7
149.02324	4.2
150.03101	2.7
151.03893	9.3
159.04417	3.5
160.05246	1.8
161.02310	1.3
161.05980	4.7
162.03102	1.7
163.03973	1.0
164.01016	4.1
165.01839	4.5
167.03346	1.9
174.03178	1.4
175.03944	3.2
175.07535	2.4
176.04712	7.6
177.01891	0.9
179.03438	6.1
179.07059	1.6
187.03926	6.2
188.04724	3.3
191.07060	21.7
201.05537	0.9
202.06316	2.2
203.07066	14.9
205.05042	7.2
209.08188	2.9
221.08156	3.8
227.07152	2.3
243.02988	0.9
245.08176	17.1
247.06082	1.2
289.07193	100.0
345.13412	6.7
360.45441	0.8
375.14493	29.1
375.19263	1.6
537.19788	10.9
577.25635	0.9
606.67737	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14886	1.0
70.49924	1.0
72.04381	1.1
76.91788	1.1
79.16147	1.0
84.04412	1.3
85.02810	1.0
87.05508	5.0
88.03893	11.7
88.04295	1.0
94.06518	2.3
96.04433	1.2
97.03964	1.2
98.02361	1.8
98.05998	1.2
100.03897	8.5
101.02305	1.7
101.07074	1.7
109.03973	2.2
110.05927	1.7
111.05520	1.1
111.75871	1.0
112.03924	4.5
113.03508	1.2
115.08656	3.5
123.05477	1.4
124.03931	1.7
126.05541	1.7
127.05008	6.3
127.08569	1.3
127.09502	1.3
128.03397	12.1
137.10695	1.4
138.05519	2.4
141.06621	2.9
142.04990	2.0
143.08228	1.9
145.06091	6.9
154.05127	1.4
154.09717	6.0
155.08240	1.2
158.14780	1.1
159.07689	4.2
160.06001	1.9
163.08694	3.1
164.07094	1.3
172.10812	2.8
181.09782	3.8
188.10365	1.5
197.80775	1.5
198.12511	2.4
200.10448	1.3
201.90625	1.2
202.07167	4.5
207.07776	4.0
225.08708	2.1
226.12018	2.4
238.12056	1.2
244.13098	4.8
249.66406	1.3
282.11005	1.5
326.97241	1.2
331.16553	1.8
442.19501	3.4
460.20221	1.3
548.20984	1.5
605.01923	1.3
792.63135	1.6
973.39087	3.2
991.41077	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
76.65725	1.1
82.02837	3.5
87.00751	1.8
95.66469	1.2
112.03871	1.5
115.00256	2.5
119.65423	1.1
124.03930	1.4
134.02715	1.3
136.07610	1.9
148.03918	10.3
149.04691	5.2
150.05484	15.6
150.09099	2.3
154.04984	2.8
160.03925	1.3
161.04729	4.1
162.05545	1.6
164.03461	3.7
173.03482	6.7
174.04254	17.4
174.05592	2.0
175.02423	3.6
175.05022	4.1
175.06352	2.5
177.06659	1.3
187.06242	1.9
189.06612	7.6
190.07388	17.8
201.07916	3.0
202.07373	3.0
203.08224	1.4
204.10283	1.2
213.10332	1.8
214.11136	2.4
217.07515	1.5
217.09837	2.2
231.07672	13.2
232.08490	26.6
233.09235	4.1
241.09766	1.8
242.08090	1.5
243.07706	2.2
243.11502	1.3
244.08612	6.7
245.09460	3.0
254.42484	1.1
259.10715	1.3
261.08783	1.7
262.09705	1.7
285.08765	2.5
286.09659	7.7
287.10403	1.7
289.09290	1.6
299.14029	10.1
304.10425	1.5
311.81699	1.3
324.13541	4.8
382.17758	13.3
394.17587	3.9
412.18881	2.6
416.69412	1.4
436.19022	7.5
437.16870	5.3
454.19861	51.9
467.17093	3.0
545.24286	3.1
599.25433	5.2
617.26221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01228	0.9
78.90487	0.6
82.02828	2.7
85.95854	0.7
88.68308	0.6
89.18055	0.7
104.26039	0.5
108.04390	0.9
112.03889	1.0
120.04398	1.5
131.59325	0.7
131.60237	0.7
136.07550	1.2
147.03110	1.3
148.03920	12.9
149.04686	7.1
150.04353	1.2
150.05490	15.9
150.09082	3.1
154.04987	2.7
160.03920	2.3
161.04726	4.9
162.05489	1.4
163.02621	2.6
164.03439	4.6
164.06967	0.7
170.05769	0.6
173.03435	6.3
173.04718	0.7
174.04250	18.5
174.05539	1.4
175.02443	2.3
175.05005	5.3
175.06326	3.5
177.06654	0.8
186.05615	0.9
187.06297	2.5
188.07170	0.9
189.06586	9.8
190.04871	1.0
190.07408	22.4
191.05777	1.1
191.08231	2.0
199.07530	1.2
200.07111	2.9
201.07927	3.7
202.07379	2.5
202.08838	1.9
203.05893	0.9
203.08199	1.1
213.06635	1.0
213.10283	1.3
214.11110	2.6
215.08087	1.6
217.07397	2.0
217.09610	0.9
228.06578	2.1
229.07359	0.9
231.07712	14.9
232.08493	30.8
233.09236	4.0
241.09828	1.1
242.08159	2.6
242.10594	1.9
243.07721	3.1
243.09456	0.8
243.11276	0.8
244.08252	11.1
245.06914	1.4
245.09358	2.2
246.07751	1.0
247.00180	0.6
259.11008	0.9
262.09518	1.9
267.07767	0.9
268.08539	1.8
285.08804	3.5
286.07071	0.9
286.09677	9.6
287.10574	1.0
289.09631	0.9
299.14035	10.7
303.09805	2.0
304.10641	1.6
307.84894	0.7
324.13498	5.6
325.11920	1.5
325.76245	0.8
337.10663	1.4
353.15198	1.2
367.31732	0.8
373.57050	0.8
382.17740	16.1
393.18182	1.0
394.17828	4.4
412.18686	2.6
418.18170	1.1
436.18732	9.7
437.17056	4.3
449.15952	1.1
454.19836	52.5
455.20007	1.3
467.17160	3.6
545.23993	3.6
575.25342	1.3
599.25140	4.5
617.26202	100.0
618.26727	2.8
747.75702	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
80.93417	5.6
90.53072	4.7
136.01523	6.3
140.83929	5.4
145.02802	7.2
149.02373	5.6
150.03197	7.3
151.03922	10.8
161.02330	6.8
210.23927	5.2
243.06441	6.0
453.17151	6.1
535.20135	7.9
541.33081	5.6
561.21326	20.6
570.55847	5.9
595.21985	100.0
605.78754	5.7
817.30865	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	997.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
79.90615	1.7
88.88493	2.4
104.38275	2.0
108.02042	4.4
121.02797	6.2
123.04406	4.8
134.03624	6.1
136.01540	18.5
137.02304	9.2
149.02309	2.5
149.05980	2.9
150.03108	2.2
151.03935	15.2
159.04402	4.9
160.05229	3.4
161.05931	2.2
162.03107	6.6
165.05476	3.1
173.05980	4.4
175.07547	3.2
177.05460	2.8
179.03534	2.9
189.05504	6.1
190.06297	3.5
213.05495	2.5
225.05472	2.3
228.04276	3.2
241.05150	5.6
242.05798	6.8
243.06633	8.4
253.05159	2.6
254.05934	3.2
255.06599	5.9
267.06714	4.7
268.07416	5.2
269.04636	2.6
269.08215	3.2
270.05267	4.3
270.09067	2.9
271.06192	9.5
277.05399	2.5
277.08710	2.8
281.08218	4.0
283.06088	5.1
284.06912	4.7
285.07669	11.4
286.08566	5.5
295.06195	3.1
295.09546	2.9
296.06863	2.7
297.07538	2.9
298.08554	3.2
299.09601	4.1
305.08279	4.4
308.06860	3.1
311.09106	2.6
318.07422	6.3
319.09729	3.3
323.09198	9.5
324.10001	3.0
326.11520	4.5
332.09076	5.8
338.11499	3.0
339.12347	3.6
430.14328	2.5
443.14807	4.3
459.14435	3.7
460.15353	3.4
473.16061	6.8
475.13455	4.2
490.16080	3.8
505.18698	8.6
519.16040	2.5
526.84924	2.5
533.18219	7.2
535.16364	8.4
537.18262	2.9
549.21057	9.4
550.18707	13.5
565.20892	60.0
577.20868	20.8
594.99225	2.8
595.21857	20.5
641.20282	2.5
819.31409	4.2
889.35309	11.2
919.35126	9.5
937.36572	9.5
949.36456	56.5
950.36487	3.0
979.37775	34.2
997.38727	100.0
998.38843	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	997.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
77.44812	1.1
78.95767	2.3
93.03307	2.4
95.04861	1.2
104.55466	1.3
108.02025	2.1
109.02840	2.9
121.02831	6.0
122.03600	5.9
123.04410	2.7
128.18076	1.2
133.02852	1.9
134.03624	7.2
135.04456	6.0
136.01541	10.5
137.02325	5.2
146.03630	2.5
147.04398	1.7
149.02344	10.7
149.05952	3.3
150.03120	39.0
151.03894	8.9
159.04469	1.8
160.05199	4.0
161.05974	1.9
162.03091	2.5
165.05461	25.9
172.05161	2.7
173.05972	3.0
175.07550	2.1
180.04205	6.0
188.04774	2.0
189.05472	2.1
190.06334	1.5
195.06548	6.4
214.29350	1.2
241.05147	1.9
243.06371	2.0
256.03586	1.7
257.04633	2.1
257.08124	1.7
269.08301	1.6
271.06192	2.9
272.07172	1.6
273.07745	1.6
277.08539	1.3
279.06564	1.6
281.08267	3.6
283.06177	2.9
285.04102	2.1
285.07593	2.4
287.09409	2.1
292.07520	1.7
293.08133	1.9
295.09848	2.3
297.07901	2.8
298.08597	1.4
299.09113	1.6
307.06171	1.5
307.09741	1.8
309.07907	1.6
310.08301	1.5
311.09396	2.7
313.10861	1.5
318.07202	1.5
323.09506	2.2
325.10806	2.7
331.10104	1.6
333.11526	1.9
339.12344	2.8
373.12720	2.1
443.14984	1.7
499.17593	2.2
505.19052	2.2
535.16010	2.3
550.18573	4.1
565.20770	26.6
576.20337	3.8
577.21075	8.6
579.22296	3.3
595.21979	6.5
603.22357	2.5
635.22192	2.0
651.20605	1.7
663.24097	1.9
679.26245	1.8
680.20215	1.9
739.27429	2.1
741.28943	6.1
757.28076	2.4
775.29816	4.7
801.31421	6.7
829.33044	2.6
873.34338	2.1
877.34644	4.3
889.34692	9.0
919.34882	2.8
937.36719	42.3
938.37811	1.8
949.37061	7.4
967.37012	3.4
979.37762	4.2
997.38635	100.0
998.38788	3.0
END